MODELLER 7v7, Sep 12, 2004 09:15pm PROTEIN STRUCTURE MODELLING BY SATISFACTION OF SPATIAL RESTRAINTS Copyright(c) 1989-2004 Andrej Sali All Rights Reserved Written by A. Sali with help from B. Webb, M.S. Madhusudhan, M-Y. Shen, M.A. Marti-Renom, N. Eswar, F. Alber, B. Oliva, A. Fiser, R. Sanchez, B. Yerkovich, A. Badretdinov, F. Melo, J.P. Overington, E. Feyfant University of California, San Francisco, USA Rockefeller University, New York, USA Harvard University, Cambridge, USA Imperial Cancer Research Fund, London, UK Birkbeck College, University of London, London, UK Kind, OS, HostName, Kernel, Processor: 4, Linux synth.compbio.ucsf.edu 2.6.8-1.521smp i686 Date and time of compilation : 09/12/2004 21:24:59 Job starting time (YY/MM/DD HH:MM:SS): 2004/09/17 19:35:58.529 # Sequence alignment of the structurally conserved regions # [average distance and standard deviation are with respect # to the framework (i.e., average structure)] # # N av ds st dv all_99 all_99 all_99 all_99 all_99 # ==================================================== 1 0.108 0.058 * V 1 V 1 V 1 V 1 V 1 2 0.077 0.051 * D 2 D 2 D 2 D 2 D 2 3 0.061 0.027 * A 3 A 3 A 3 A 3 A 3 4 0.038 0.023 * F 4 F 4 F 4 F 4 F 4 5 0.024 0.003 * C 5 C 5 C 5 C 5 C 5 6 0.039 0.012 * A 6 A 6 A 6 A 6 A 6 7 0.039 0.014 * T 7 T 7 T 7 T 7 T 7 8 0.038 0.009 * W 8 W 8 W 8 W 8 W 8 9 0.066 0.021 * K 9 K 9 K 9 K 9 K 9 10 0.132 0.049 * L 10 L 10 L 10 L 10 L 10 11 0.083 0.051 * T 11 T 11 T 11 T 11 T 11 12 0.090 0.055 * D 12 D 12 D 12 D 12 D 12 13 0.066 0.055 * S 13 S 13 S 13 S 13 S 13 14 0.080 0.040 * Q 14 Q 14 Q 14 Q 14 Q 14 15 0.129 0.055 * N 15 N 15 N 15 N 15 N 15 16 0.035 0.020 * F 16 F 16 F 16 F 16 F 16 17 0.066 0.013 * D 17 D 17 D 17 D 17 D 17 18 0.060 0.018 * E 18 E 18 E 18 E 18 E 18 19 0.056 0.016 * Y 19 Y 19 Y 19 Y 19 Y 19 20 0.069 0.020 * M 20 M 20 M 20 M 20 M 20 21 0.086 0.035 * K 21 K 21 K 21 K 21 K 21 22 0.036 0.011 * A 22 A 22 A 22 A 22 A 22 23 0.021 0.003 * L 23 L 23 L 23 L 23 L 23 24 0.021 0.006 * G 24 G 24 G 24 G 24 G 24 25 0.030 0.009 * V 25 V 25 V 25 V 25 V 25 26 0.047 0.018 * G 26 G 26 G 26 G 26 G 26 27 0.060 0.015 * F 27 F 27 F 27 F 27 F 27 28 0.047 0.020 * A 28 A 28 A 28 A 28 A 28 29 0.033 0.011 * T 29 T 29 T 29 T 29 T 29 30 0.062 0.033 * R 30 R 30 R 30 R 30 R 30 31 0.042 0.013 * Q 31 Q 31 Q 31 Q 31 Q 31 32 0.028 0.010 * V 32 V 32 V 32 V 32 V 32 33 0.013 0.005 * G 33 G 33 G 33 G 33 G 33 34 0.028 0.014 * N 34 N 34 N 34 N 34 N 34 35 0.042 0.016 * V 35 V 35 V 35 V 35 V 35 36 0.067 0.007 * T 36 T 36 T 36 T 36 T 36 37 0.040 0.012 * K 37 K 37 K 37 K 37 K 37 38 0.045 0.025 * P 38 P 38 P 38 P 38 P 38 39 0.069 0.035 * T 39 T 39 T 39 T 39 T 39 40 0.035 0.009 * V 40 V 40 V 40 V 40 V 40 41 0.054 0.016 * I 41 I 41 I 41 I 41 I 41 42 0.074 0.032 * I 42 I 42 I 42 I 42 I 42 43 0.077 0.018 * S 43 S 43 S 43 S 43 S 43 44 0.072 0.036 * Q 44 Q 44 Q 44 Q 44 Q 44 45 0.097 0.031 * E 45 E 45 E 45 E 45 E 45 46 0.113 0.022 * G 46 G 46 G 46 G 46 G 46 47 0.113 0.027 * G 47 G 47 G 47 G 47 G 47 48 0.105 0.036 * K 48 K 48 K 48 K 48 K 48 49 0.064 0.027 * V 49 V 49 V 49 V 49 V 49 50 0.045 0.030 * V 50 V 50 V 50 V 50 V 50 51 0.089 0.047 * I 51 I 51 I 51 I 51 I 51 52 0.106 0.075 * R 52 R 52 R 52 R 52 R 52 53 0.070 0.038 * T 53 T 53 T 53 T 53 T 53 54 0.091 0.035 * Q 54 Q 54 Q 54 Q 54 Q 54 55 0.064 0.013 * C 55 C 55 C 55 C 55 C 55 56 0.074 0.028 * T 56 T 56 T 56 T 56 T 56 57 0.063 0.026 * F 57 F 57 F 57 F 57 F 57 58 0.051 0.036 * K 58 K 58 K 58 K 58 K 58 59 0.048 0.023 * N 59 N 59 N 59 N 59 N 59 60 0.043 0.020 * T 60 T 60 T 60 T 60 T 60 61 0.110 0.077 * E 61 E 61 E 61 E 61 E 61 62 0.049 0.012 * I 62 I 62 I 62 I 62 I 62 63 0.036 0.015 * N 63 N 63 N 63 N 63 N 63 64 0.023 0.006 * F 64 F 64 F 64 F 64 F 64 65 0.032 0.007 * Q 65 Q 65 Q 65 Q 65 Q 65 66 0.061 0.015 * L 66 L 66 L 66 L 66 L 66 67 0.096 0.032 * G 67 G 67 G 67 G 67 G 67 68 0.089 0.016 * E 68 E 68 E 68 E 68 E 68 69 0.067 0.038 * E 69 E 69 E 69 E 69 E 69 70 0.038 0.009 * F 70 F 70 F 70 F 70 F 70 71 0.060 0.032 * E 71 E 71 E 71 E 71 E 71 72 0.116 0.046 * E 72 E 72 E 72 E 72 E 72 73 0.041 0.017 * T 73 T 73 T 73 T 73 T 73 74 0.046 0.012 * S 74 S 74 S 74 S 74 S 74 75 0.034 0.012 * I 75 I 75 I 75 I 75 I 75 76 0.044 0.023 * D 76 D 76 D 76 D 76 D 76 77 0.066 0.032 * D 77 D 77 D 77 D 77 D 77 78 0.105 0.050 * R 78 R 78 R 78 R 78 R 78 79 0.057 0.022 * N 79 N 79 N 79 N 79 N 79 80 0.068 0.039 * C 80 C 80 C 80 C 80 C 80 81 0.059 0.011 * K 81 K 81 K 81 K 81 K 81 82 0.072 0.026 * S 82 S 82 S 82 S 82 S 82 83 0.052 0.019 * V 83 V 83 V 83 V 83 V 83 84 0.049 0.015 * V 84 V 84 V 84 V 84 V 84 85 0.056 0.021 * R 85 R 85 R 85 R 85 R 85 86 0.071 0.035 * L 86 L 86 L 86 L 86 L 86 87 0.092 0.044 * D 87 D 87 D 87 D 87 D 87 88 0.074 0.028 * G 88 G 88 G 88 G 88 G 88 89 0.075 0.035 * D 89 D 89 D 89 D 89 D 89 90 0.087 0.027 * K 90 K 90 K 90 K 90 K 90 91 0.056 0.023 * L 91 L 91 L 91 L 91 L 91 92 0.055 0.029 * I 92 I 92 I 92 I 92 I 92 93 0.034 0.008 * H 93 H 93 H 93 H 93 H 93 94 0.064 0.010 * V 94 V 94 V 94 V 94 V 94 95 0.071 0.046 * Q 95 Q 95 Q 95 Q 95 Q 95 96 0.062 0.035 * K 96 K 96 K 96 K 96 K 96 97 0.047 0.017 * W 97 W 97 W 97 W 97 W 97 98 0.185 0.099 * D 98 D 98 D 98 D 98 D 98 99 0.284 0.199 * G 99 G 99 G 99 G 99 G 99 100 0.098 0.051 * K 100 K 100 K 100 K 100 K 100 101 0.046 0.016 * E 101 E 101 E 101 E 101 E 101 102 0.021 0.008 * T 102 T 102 T 102 T 102 T 102 103 0.061 0.043 * N 103 N 103 N 103 N 103 N 103 104 0.077 0.039 * C 104 C 104 C 104 C 104 C 104 105 0.055 0.017 * T 105 T 105 T 105 T 105 T 105 106 0.054 0.018 * R 106 R 106 R 106 R 106 R 106 107 0.085 0.039 * E 107 E 107 E 107 E 107 E 107 108 0.035 0.012 * I 108 I 108 I 108 I 108 I 108 109 0.090 0.036 * K 109 K 109 K 109 K 109 K 109 110 0.205 0.082 * D 110 D 110 D 110 D 110 D 110 111 0.098 0.025 * G 111 G 111 G 111 G 111 G 111 112 0.059 0.023 * K 112 K 112 K 112 K 112 K 112 113 0.038 0.019 * M 113 M 113 M 113 M 113 M 113 114 0.020 0.005 * V 114 V 114 V 114 V 114 V 114 115 0.030 0.015 * V 115 V 115 V 115 V 115 V 115 116 0.056 0.018 * T 116 T 116 T 116 T 116 T 116 117 0.065 0.028 * L 117 L 117 L 117 L 117 L 117 118 0.060 0.014 * T 118 T 118 T 118 T 118 T 118 119 0.042 0.017 * F 119 F 119 F 119 F 119 F 119 120 0.147 0.066 * G 120 G 120 G 120 G 120 G 120 121 0.330 0.219 * D 121 D 121 D 121 D 121 D 121 122 0.081 0.039 * I 122 I 122 I 122 I 122 I 122 123 0.076 0.020 * V 123 V 123 V 123 V 123 V 123 124 0.032 0.016 * A 124 A 124 A 124 A 124 A 124 125 0.062 0.038 * V 125 V 125 V 125 V 125 V 125 126 0.109 0.072 * R 126 R 126 R 126 R 126 R 126 127 0.032 0.011 * C 127 C 127 C 127 C 127 C 127 128 0.083 0.062 * Y 128 Y 128 Y 128 Y 128 Y 128 129 0.055 0.031 * E 129 E 129 E 129 E 129 E 129 130 0.112 0.095 * K 130 K 130 K 130 K 130 K 130 131 0.064 0.032 * A 131 A 131 A 131 A 131 A 131 # ==================================================== # Sequence alignment of the structurally conserved regions # [average distance and standard deviation are with respect # to the framework (i.e., average structure)] # # N av ds st dv all_99 all_99 all_99 all_99 all_99 # ==================================================== 1 0.108 0.058 * V 1 V 1 V 1 V 1 V 1 2 0.077 0.051 * D 2 D 2 D 2 D 2 D 2 3 0.061 0.027 * A 3 A 3 A 3 A 3 A 3 4 0.038 0.023 * F 4 F 4 F 4 F 4 F 4 5 0.024 0.003 * C 5 C 5 C 5 C 5 C 5 6 0.039 0.012 * A 6 A 6 A 6 A 6 A 6 7 0.039 0.014 * T 7 T 7 T 7 T 7 T 7 8 0.038 0.009 * W 8 W 8 W 8 W 8 W 8 9 0.066 0.021 * K 9 K 9 K 9 K 9 K 9 10 0.132 0.049 * L 10 L 10 L 10 L 10 L 10 11 0.083 0.051 * T 11 T 11 T 11 T 11 T 11 12 0.090 0.055 * D 12 D 12 D 12 D 12 D 12 13 0.066 0.055 * S 13 S 13 S 13 S 13 S 13 14 0.080 0.040 * Q 14 Q 14 Q 14 Q 14 Q 14 15 0.129 0.055 * N 15 N 15 N 15 N 15 N 15 16 0.035 0.020 * F 16 F 16 F 16 F 16 F 16 17 0.066 0.013 * D 17 D 17 D 17 D 17 D 17 18 0.060 0.018 * E 18 E 18 E 18 E 18 E 18 19 0.056 0.016 * Y 19 Y 19 Y 19 Y 19 Y 19 20 0.069 0.020 * M 20 M 20 M 20 M 20 M 20 21 0.086 0.035 * K 21 K 21 K 21 K 21 K 21 22 0.036 0.011 * A 22 A 22 A 22 A 22 A 22 23 0.021 0.003 * L 23 L 23 L 23 L 23 L 23 24 0.021 0.006 * G 24 G 24 G 24 G 24 G 24 25 0.030 0.009 * V 25 V 25 V 25 V 25 V 25 26 0.047 0.018 * G 26 G 26 G 26 G 26 G 26 27 0.060 0.015 * F 27 F 27 F 27 F 27 F 27 28 0.047 0.020 * A 28 A 28 A 28 A 28 A 28 29 0.033 0.011 * T 29 T 29 T 29 T 29 T 29 30 0.062 0.033 * R 30 R 30 R 30 R 30 R 30 31 0.042 0.013 * Q 31 Q 31 Q 31 Q 31 Q 31 32 0.028 0.010 * V 32 V 32 V 32 V 32 V 32 33 0.013 0.005 * G 33 G 33 G 33 G 33 G 33 34 0.028 0.014 * N 34 N 34 N 34 N 34 N 34 35 0.042 0.016 * V 35 V 35 V 35 V 35 V 35 36 0.067 0.007 * T 36 T 36 T 36 T 36 T 36 37 0.040 0.012 * K 37 K 37 K 37 K 37 K 37 38 0.045 0.025 * P 38 P 38 P 38 P 38 P 38 39 0.069 0.035 * T 39 T 39 T 39 T 39 T 39 40 0.035 0.009 * V 40 V 40 V 40 V 40 V 40 41 0.054 0.016 * I 41 I 41 I 41 I 41 I 41 42 0.074 0.032 * I 42 I 42 I 42 I 42 I 42 43 0.077 0.018 * S 43 S 43 S 43 S 43 S 43 44 0.072 0.036 * Q 44 Q 44 Q 44 Q 44 Q 44 45 0.097 0.031 * E 45 E 45 E 45 E 45 E 45 46 0.113 0.022 * G 46 G 46 G 46 G 46 G 46 47 0.113 0.027 * G 47 G 47 G 47 G 47 G 47 48 0.105 0.036 * K 48 K 48 K 48 K 48 K 48 49 0.064 0.027 * V 49 V 49 V 49 V 49 V 49 50 0.045 0.030 * V 50 V 50 V 50 V 50 V 50 51 0.089 0.047 * I 51 I 51 I 51 I 51 I 51 52 0.106 0.075 * R 52 R 52 R 52 R 52 R 52 53 0.070 0.038 * T 53 T 53 T 53 T 53 T 53 54 0.091 0.035 * Q 54 Q 54 Q 54 Q 54 Q 54 55 0.064 0.013 * C 55 C 55 C 55 C 55 C 55 56 0.074 0.028 * T 56 T 56 T 56 T 56 T 56 57 0.063 0.026 * F 57 F 57 F 57 F 57 F 57 58 0.051 0.036 * K 58 K 58 K 58 K 58 K 58 59 0.048 0.023 * N 59 N 59 N 59 N 59 N 59 60 0.043 0.020 * T 60 T 60 T 60 T 60 T 60 61 0.110 0.077 * E 61 E 61 E 61 E 61 E 61 62 0.049 0.012 * I 62 I 62 I 62 I 62 I 62 63 0.036 0.015 * N 63 N 63 N 63 N 63 N 63 64 0.023 0.006 * F 64 F 64 F 64 F 64 F 64 65 0.032 0.007 * Q 65 Q 65 Q 65 Q 65 Q 65 66 0.061 0.015 * L 66 L 66 L 66 L 66 L 66 67 0.096 0.032 * G 67 G 67 G 67 G 67 G 67 68 0.089 0.016 * E 68 E 68 E 68 E 68 E 68 69 0.067 0.038 * E 69 E 69 E 69 E 69 E 69 70 0.038 0.009 * F 70 F 70 F 70 F 70 F 70 71 0.060 0.032 * E 71 E 71 E 71 E 71 E 71 72 0.116 0.046 * E 72 E 72 E 72 E 72 E 72 73 0.041 0.017 * T 73 T 73 T 73 T 73 T 73 74 0.046 0.012 * S 74 S 74 S 74 S 74 S 74 75 0.034 0.012 * I 75 I 75 I 75 I 75 I 75 76 0.044 0.023 * D 76 D 76 D 76 D 76 D 76 77 0.066 0.032 * D 77 D 77 D 77 D 77 D 77 78 0.105 0.050 * R 78 R 78 R 78 R 78 R 78 79 0.057 0.022 * N 79 N 79 N 79 N 79 N 79 80 0.068 0.039 * C 80 C 80 C 80 C 80 C 80 81 0.059 0.011 * K 81 K 81 K 81 K 81 K 81 82 0.072 0.026 * S 82 S 82 S 82 S 82 S 82 83 0.052 0.019 * V 83 V 83 V 83 V 83 V 83 84 0.049 0.015 * V 84 V 84 V 84 V 84 V 84 85 0.056 0.021 * R 85 R 85 R 85 R 85 R 85 86 0.071 0.035 * L 86 L 86 L 86 L 86 L 86 87 0.092 0.044 * D 87 D 87 D 87 D 87 D 87 88 0.074 0.028 * G 88 G 88 G 88 G 88 G 88 89 0.075 0.035 * D 89 D 89 D 89 D 89 D 89 90 0.087 0.027 * K 90 K 90 K 90 K 90 K 90 91 0.056 0.023 * L 91 L 91 L 91 L 91 L 91 92 0.055 0.029 * I 92 I 92 I 92 I 92 I 92 93 0.034 0.008 * H 93 H 93 H 93 H 93 H 93 94 0.064 0.010 * V 94 V 94 V 94 V 94 V 94 95 0.071 0.046 * Q 95 Q 95 Q 95 Q 95 Q 95 96 0.062 0.035 * K 96 K 96 K 96 K 96 K 96 97 0.047 0.017 * W 97 W 97 W 97 W 97 W 97 98 0.185 0.099 * D 98 D 98 D 98 D 98 D 98 99 0.284 0.199 * G 99 G 99 G 99 G 99 G 99 100 0.098 0.051 * K 100 K 100 K 100 K 100 K 100 101 0.046 0.016 * E 101 E 101 E 101 E 101 E 101 102 0.021 0.008 * T 102 T 102 T 102 T 102 T 102 103 0.061 0.043 * N 103 N 103 N 103 N 103 N 103 104 0.077 0.039 * C 104 C 104 C 104 C 104 C 104 105 0.055 0.017 * T 105 T 105 T 105 T 105 T 105 106 0.054 0.018 * R 106 R 106 R 106 R 106 R 106 107 0.085 0.039 * E 107 E 107 E 107 E 107 E 107 108 0.035 0.012 * I 108 I 108 I 108 I 108 I 108 109 0.090 0.036 * K 109 K 109 K 109 K 109 K 109 110 0.205 0.082 * D 110 D 110 D 110 D 110 D 110 111 0.098 0.025 * G 111 G 111 G 111 G 111 G 111 112 0.059 0.023 * K 112 K 112 K 112 K 112 K 112 113 0.038 0.019 * M 113 M 113 M 113 M 113 M 113 114 0.020 0.005 * V 114 V 114 V 114 V 114 V 114 115 0.030 0.015 * V 115 V 115 V 115 V 115 V 115 116 0.056 0.018 * T 116 T 116 T 116 T 116 T 116 117 0.065 0.028 * L 117 L 117 L 117 L 117 L 117 118 0.060 0.014 * T 118 T 118 T 118 T 118 T 118 119 0.042 0.017 * F 119 F 119 F 119 F 119 F 119 120 0.147 0.066 * G 120 G 120 G 120 G 120 G 120 121 0.330 0.219 * D 121 D 121 D 121 D 121 D 121 122 0.081 0.039 * I 122 I 122 I 122 I 122 I 122 123 0.076 0.020 * V 123 V 123 V 123 V 123 V 123 124 0.032 0.016 * A 124 A 124 A 124 A 124 A 124 125 0.062 0.038 * V 125 V 125 V 125 V 125 V 125 126 0.109 0.072 * R 126 R 126 R 126 R 126 R 126 127 0.032 0.011 * C 127 C 127 C 127 C 127 C 127 128 0.083 0.062 * Y 128 Y 128 Y 128 Y 128 Y 128 129 0.055 0.031 * E 129 E 129 E 129 E 129 E 129 130 0.112 0.095 * K 130 K 130 K 130 K 130 K 130 131 0.064 0.032 * A 131 A 131 A 131 A 131 A 131 # ==================================================== # Sequence alignment of the structurally conserved regions # [average distance and standard deviation are with respect # to the framework (i.e., average structure)] # # N av ds st dv all_99 all_99 all_99 all_99 all_99 # ==================================================== 1 0.108 0.058 * V 1 V 1 V 1 V 1 V 1 2 0.077 0.051 * D 2 D 2 D 2 D 2 D 2 3 0.061 0.027 * A 3 A 3 A 3 A 3 A 3 4 0.038 0.023 * F 4 F 4 F 4 F 4 F 4 5 0.024 0.003 * C 5 C 5 C 5 C 5 C 5 6 0.039 0.012 * A 6 A 6 A 6 A 6 A 6 7 0.039 0.014 * T 7 T 7 T 7 T 7 T 7 8 0.038 0.009 * W 8 W 8 W 8 W 8 W 8 9 0.066 0.021 * K 9 K 9 K 9 K 9 K 9 10 0.132 0.049 * L 10 L 10 L 10 L 10 L 10 11 0.083 0.051 * T 11 T 11 T 11 T 11 T 11 12 0.090 0.055 * D 12 D 12 D 12 D 12 D 12 13 0.066 0.055 * S 13 S 13 S 13 S 13 S 13 14 0.080 0.040 * Q 14 Q 14 Q 14 Q 14 Q 14 15 0.129 0.055 * N 15 N 15 N 15 N 15 N 15 16 0.035 0.020 * F 16 F 16 F 16 F 16 F 16 17 0.066 0.013 * D 17 D 17 D 17 D 17 D 17 18 0.060 0.018 * E 18 E 18 E 18 E 18 E 18 19 0.056 0.016 * Y 19 Y 19 Y 19 Y 19 Y 19 20 0.069 0.020 * M 20 M 20 M 20 M 20 M 20 21 0.086 0.035 * K 21 K 21 K 21 K 21 K 21 22 0.036 0.011 * A 22 A 22 A 22 A 22 A 22 23 0.021 0.003 * L 23 L 23 L 23 L 23 L 23 24 0.021 0.006 * G 24 G 24 G 24 G 24 G 24 25 0.030 0.009 * V 25 V 25 V 25 V 25 V 25 26 0.047 0.018 * G 26 G 26 G 26 G 26 G 26 27 0.060 0.015 * F 27 F 27 F 27 F 27 F 27 28 0.047 0.020 * A 28 A 28 A 28 A 28 A 28 29 0.033 0.011 * T 29 T 29 T 29 T 29 T 29 30 0.062 0.033 * R 30 R 30 R 30 R 30 R 30 31 0.042 0.013 * Q 31 Q 31 Q 31 Q 31 Q 31 32 0.028 0.010 * V 32 V 32 V 32 V 32 V 32 33 0.013 0.005 * G 33 G 33 G 33 G 33 G 33 34 0.028 0.014 * N 34 N 34 N 34 N 34 N 34 35 0.042 0.016 * V 35 V 35 V 35 V 35 V 35 36 0.067 0.007 * T 36 T 36 T 36 T 36 T 36 37 0.040 0.012 * K 37 K 37 K 37 K 37 K 37 38 0.045 0.025 * P 38 P 38 P 38 P 38 P 38 39 0.069 0.035 * T 39 T 39 T 39 T 39 T 39 40 0.035 0.009 * V 40 V 40 V 40 V 40 V 40 41 0.054 0.016 * I 41 I 41 I 41 I 41 I 41 42 0.074 0.032 * I 42 I 42 I 42 I 42 I 42 43 0.077 0.018 * S 43 S 43 S 43 S 43 S 43 44 0.072 0.036 * Q 44 Q 44 Q 44 Q 44 Q 44 45 0.097 0.031 * E 45 E 45 E 45 E 45 E 45 46 0.113 0.022 * G 46 G 46 G 46 G 46 G 46 47 0.113 0.027 * G 47 G 47 G 47 G 47 G 47 48 0.105 0.036 * K 48 K 48 K 48 K 48 K 48 49 0.064 0.027 * V 49 V 49 V 49 V 49 V 49 50 0.045 0.030 * V 50 V 50 V 50 V 50 V 50 51 0.089 0.047 * I 51 I 51 I 51 I 51 I 51 52 0.106 0.075 * R 52 R 52 R 52 R 52 R 52 53 0.070 0.038 * T 53 T 53 T 53 T 53 T 53 54 0.091 0.035 * Q 54 Q 54 Q 54 Q 54 Q 54 55 0.064 0.013 * C 55 C 55 C 55 C 55 C 55 56 0.074 0.028 * T 56 T 56 T 56 T 56 T 56 57 0.063 0.026 * F 57 F 57 F 57 F 57 F 57 58 0.051 0.036 * K 58 K 58 K 58 K 58 K 58 59 0.048 0.023 * N 59 N 59 N 59 N 59 N 59 60 0.043 0.020 * T 60 T 60 T 60 T 60 T 60 61 0.110 0.077 * E 61 E 61 E 61 E 61 E 61 62 0.049 0.012 * I 62 I 62 I 62 I 62 I 62 63 0.036 0.015 * N 63 N 63 N 63 N 63 N 63 64 0.023 0.006 * F 64 F 64 F 64 F 64 F 64 65 0.032 0.007 * Q 65 Q 65 Q 65 Q 65 Q 65 66 0.061 0.015 * L 66 L 66 L 66 L 66 L 66 67 0.096 0.032 * G 67 G 67 G 67 G 67 G 67 68 0.089 0.016 * E 68 E 68 E 68 E 68 E 68 69 0.067 0.038 * E 69 E 69 E 69 E 69 E 69 70 0.038 0.009 * F 70 F 70 F 70 F 70 F 70 71 0.060 0.032 * E 71 E 71 E 71 E 71 E 71 72 0.116 0.046 * E 72 E 72 E 72 E 72 E 72 73 0.041 0.017 * T 73 T 73 T 73 T 73 T 73 74 0.046 0.012 * S 74 S 74 S 74 S 74 S 74 75 0.034 0.012 * I 75 I 75 I 75 I 75 I 75 76 0.044 0.023 * D 76 D 76 D 76 D 76 D 76 77 0.066 0.032 * D 77 D 77 D 77 D 77 D 77 78 0.105 0.050 * R 78 R 78 R 78 R 78 R 78 79 0.057 0.022 * N 79 N 79 N 79 N 79 N 79 80 0.068 0.039 * C 80 C 80 C 80 C 80 C 80 81 0.059 0.011 * K 81 K 81 K 81 K 81 K 81 82 0.072 0.026 * S 82 S 82 S 82 S 82 S 82 83 0.052 0.019 * V 83 V 83 V 83 V 83 V 83 84 0.049 0.015 * V 84 V 84 V 84 V 84 V 84 85 0.056 0.021 * R 85 R 85 R 85 R 85 R 85 86 0.071 0.035 * L 86 L 86 L 86 L 86 L 86 87 0.092 0.044 * D 87 D 87 D 87 D 87 D 87 88 0.074 0.028 * G 88 G 88 G 88 G 88 G 88 89 0.075 0.035 * D 89 D 89 D 89 D 89 D 89 90 0.087 0.027 * K 90 K 90 K 90 K 90 K 90 91 0.056 0.023 * L 91 L 91 L 91 L 91 L 91 92 0.055 0.029 * I 92 I 92 I 92 I 92 I 92 93 0.034 0.008 * H 93 H 93 H 93 H 93 H 93 94 0.064 0.010 * V 94 V 94 V 94 V 94 V 94 95 0.071 0.046 * Q 95 Q 95 Q 95 Q 95 Q 95 96 0.062 0.035 * K 96 K 96 K 96 K 96 K 96 97 0.047 0.017 * W 97 W 97 W 97 W 97 W 97 98 0.185 0.099 * D 98 D 98 D 98 D 98 D 98 99 0.284 0.199 * G 99 G 99 G 99 G 99 G 99 100 0.098 0.051 * K 100 K 100 K 100 K 100 K 100 101 0.046 0.016 * E 101 E 101 E 101 E 101 E 101 102 0.021 0.008 * T 102 T 102 T 102 T 102 T 102 103 0.061 0.043 * N 103 N 103 N 103 N 103 N 103 104 0.077 0.039 * C 104 C 104 C 104 C 104 C 104 105 0.055 0.017 * T 105 T 105 T 105 T 105 T 105 106 0.054 0.018 * R 106 R 106 R 106 R 106 R 106 107 0.085 0.039 * E 107 E 107 E 107 E 107 E 107 108 0.035 0.012 * I 108 I 108 I 108 I 108 I 108 109 0.090 0.036 * K 109 K 109 K 109 K 109 K 109 110 0.205 0.082 * D 110 D 110 D 110 D 110 D 110 111 0.098 0.025 * G 111 G 111 G 111 G 111 G 111 112 0.059 0.023 * K 112 K 112 K 112 K 112 K 112 113 0.038 0.019 * M 113 M 113 M 113 M 113 M 113 114 0.020 0.005 * V 114 V 114 V 114 V 114 V 114 115 0.030 0.015 * V 115 V 115 V 115 V 115 V 115 116 0.056 0.018 * T 116 T 116 T 116 T 116 T 116 117 0.065 0.028 * L 117 L 117 L 117 L 117 L 117 118 0.060 0.014 * T 118 T 118 T 118 T 118 T 118 119 0.042 0.017 * F 119 F 119 F 119 F 119 F 119 120 0.147 0.066 * G 120 G 120 G 120 G 120 G 120 121 0.330 0.219 * D 121 D 121 D 121 D 121 D 121 122 0.081 0.039 * I 122 I 122 I 122 I 122 I 122 123 0.076 0.020 * V 123 V 123 V 123 V 123 V 123 124 0.032 0.016 * A 124 A 124 A 124 A 124 A 124 125 0.062 0.038 * V 125 V 125 V 125 V 125 V 125 126 0.109 0.072 * R 126 R 126 R 126 R 126 R 126 127 0.032 0.011 * C 127 C 127 C 127 C 127 C 127 128 0.083 0.062 * Y 128 Y 128 Y 128 Y 128 Y 128 129 0.055 0.031 * E 129 E 129 E 129 E 129 E 129 130 0.112 0.095 * K 130 K 130 K 130 K 130 K 130 131 0.064 0.032 * A 131 A 131 A 131 A 131 A 131 # ==================================================== Least-squares dynamic programming alignment: FIT_ATOMS atoms for alignment : CA Max dist from frw for equivalence : 3.5000 Gap introduction penalty : 0.0000 Gap extension penalty : 1.7500 Numb of residues in framework : 131 Dynamically allocated memory at finish [B,kB,MB]: 5228885 5106.333 4.987 Starting time : 2004/09/17 19:35:58.529 Closing time : 2004/09/17 19:35:59.151 Total CPU time [seconds] : 0.59