# produced by mnyfit - version  6.2a
#   compiled 01-Jul-96
#
# ============================================================================
# no of coordinate sets:        2
#     1 9pap.atm
#     2 1huc.atm
# data directory:              /usr/people/jpo/src/mnyfit/
# update equivalences:         T
# produce fitted coordinates:  T
# produce fitted framework:    F
# repair sidechains:           F
# equivalence cutoff:          3.00
# ============================================================================
# reading coordinate data:
# reading dataset    1  9pap.atm                
#    9pap: CD  not found in K  139 
#    9pap: CE  not found in K  139 
#    9pap: NZ  not found in K  139 
# reading dataset    2  1huc.atm                
# ============================================================================
# fitting:
#
#
# convergence after   3 cycles in mnyfit
# Pairwise Root Mean Square fits
#
#   1      9pap 0.000 0.090 0.045
#   2      1huc 0.090 0.000 0.045
#     Framework 0.045 0.045 0.000
#
# refining equivalences
#
# Number of equivalences =  186
#
# convergence after   3 cycles in mnyfit
# Pairwise Root Mean Square fits
#
#   1      9pap 0.000 1.213 0.606
#   2      1huc 1.213 0.000 0.606
#     Framework 0.606 0.606 0.000
#
# Number of equivalences =  187
#
# convergence after   4 cycles in mnyfit
# Pairwise Root Mean Square fits
#
#   1      9pap 0.000 1.228 0.614
#   2      1huc 1.228 0.000 0.614
#     Framework 0.614 0.614 0.000
#
# Number of equivalences =  187
#
# convergence after   4 cycles in mnyfit
# Pairwise Root Mean Square fits
#
#   1      9pap 0.000 1.228 0.614
#   2      1huc 1.228 0.000 0.614
#     Framework 0.614 0.614 0.000
#
# ============================================================================
# cluster linkage:
#   1  9pap   1 -  1huc   2     1.228
# ============================================================================
# multidimensional scaling:
# sorted Eigenvalues
#             1      2      3
#           0.754  0.000  0.000
# Eigenvectors
#  1  9pap  0.614  0.000  0.000
#  2  1huc -0.614  0.000  0.000
#  3 frame  0.000  0.000  0.000
# percentage contribution to variance
#         100.000  0.000  0.000
# ============================================================================
# Sequence alignment corresponding to structurally conserved regions
#
# N av ds st dv   9pap   1huc
# ================(  0)==(  0)=|
  1 1.070 0.000   I   1  L   1 
  2 1.047 0.000 * P   2  P   2 
  3 1.042 0.000   E   3  A   3 
  4 1.024 0.000   Y   4  S   4 
  5 0.716 0.000   V   5  F   5 
  6 0.465 0.000 * D   6  D   6 
  7 0.637 0.000   W   7  A   7 
  8 0.864 0.000 * R   8  R   8 
  9 1.049 0.000   Q   9  E   9 
# ================(  3)==(  7)=X
 10 0.285 0.000   V  13  I  17 
# ================(  1)==(  1)=|
 11 0.849 0.000   P  15  E  19 
 12 0.288 0.000   V  16  I  20 
 13 0.491 0.000   K  17  R  21 
 14 0.611 0.000   N  18  D  22 
 15 0.244 0.000 * Q  19  Q  23 
 16 0.583 0.000 * G  20  G  24 
 17 0.381 0.000 * S  21  S  25 
 18 0.063 0.000 * C  22  C  26 
 19 0.064 0.000 * G  23  G  27 
 20 0.090 0.000 * S  24  S  28 
 21 0.094 0.000 * C  25  C  29 
 22 0.187 0.000 * W  26  W  30 
 23 0.228 0.000 * A  27  A  31 
 24 0.188 0.000 * F  28  F  32 
 25 0.226 0.000   S  29  G  33 
 26 0.102 0.000 * A  30  A  34 
 27 0.347 0.000 * V  31  V  35 
 28 0.680 0.000   V  32  E  36 
 29 0.727 0.000   T  33  A  37 
 30 0.321 0.000 * I  34  I  38 
 31 0.443 0.000   E  35  S  39 
 32 0.652 0.000   G  36  D  40 
 33 0.497 0.000   I  37  R  41 
 34 0.219 0.000 * I  38  I  42 
 35 0.411 0.000   K  39  C  43 
 36 0.364 0.000 * I  40  I  44 
 37 0.519 0.000   R  41  H  45 
 38 0.503 0.000 * T  42  T  46 
# ================(  1)==(  1)=|
 39 1.223 0.000   N  44  V  50 
 40 1.177 0.000   L  45  S  51 
 41 0.888 0.000   N  46  V  52 
 42 0.408 0.000   Q  47  E  53 
 43 0.507 0.000   Y  48  V  54 
 44 0.157 0.000 * S  49  S  55 
 45 0.155 0.000   E  50  A  56 
 46 0.353 0.000   Q  51  E  57 
 47 0.249 0.000   E  52  D  58 
 48 0.372 0.000 * L  53  L  59 
 49 0.406 0.000 * L  54  L  60 
 50 0.325 0.000   D  55  T  61 
 51 0.452 0.000 * C  56  C  62 
 52 0.650 0.000   D  57  C  63 
 53 0.594 0.000   R  58  G  64 
 54 1.461 0.000   R  59  S  65 
# ================(  0)==(  2)=X
 55 0.883 0.000   S  60  G  68 
 56 0.361 0.000   Y  61  D  69 
 57 0.253 0.000 * G  62  G  70 
 58 0.191 0.000 * C  63  C  71 
 59 0.163 0.000 * N  64  N  72 
 60 0.347 0.000 * G  65  G  73 
 61 0.159 0.000 * G  66  G  74 
 62 0.566 0.000 * Y  67  Y  75 
 63 0.550 0.000 * P  68  P  76 
 64 0.509 0.000   W  69  A  77 
 65 0.418 0.000   S  70  E  78 
 66 0.501 0.000 * A  71  A  79 
 67 0.415 0.000   L  72  W  80 
 68 0.320 0.000   Q  73  N  81 
 69 0.367 0.000   L  74  F  82 
 70 0.370 0.000   V  75  W  83 
 71 0.289 0.000   A  76  T  84 
 72 0.290 0.000   Q  77  R  85 
 73 0.662 0.000   Y  78  K  86 
 74 0.504 0.000 * G  79  G  87 
 75 0.467 0.000   I  80  L  88 
 76 0.396 0.000   H  81  V  89 
 77 0.437 0.000   Y  82  S  90 
 78 0.557 0.000   R  83  G  91 
# ================(  0)==(  7)=X
 79 0.962 0.000   N  84  G  99 
 80 0.657 0.000   T  85  C 100 
 81 0.120 0.000   Y  86  R 101 
 82 0.383 0.000 * P  87  P 102 
 83 0.315 0.000 * Y  88  Y 103 
 84 0.713 0.000   E  89  S 104 
 85 1.333 0.000   G  90  I 105 
# ================(  1)==( 19)=X
 86 0.923 0.000   Q  92  T 125 
 87 1.264 0.000   R  93  P 126 
 88 1.341 0.000   Y  94  K 127 
 89 0.839 0.000 * C  95  C 128 
 90 0.964 0.000   R  96  S 129 
 91 1.443 0.000   S  97  K 130 
# ================(  2)==(  9)=X
 92 1.282 0.000   K 100  Y 140 
# ================(  1)==(  1)=|
 93 0.673 0.000   P 102  Q 142 
 94 1.422 0.000   Y 103  D 143 
# ================(  1)==(  1)=|
 95 0.853 0.000   A 105  H 145 
 96 0.576 0.000   K 106  Y 146 
 97 0.538 0.000   T 107  G 147 
 98 0.178 0.000   D 108  Y 148 
 99 0.518 0.000   G 109  N 149 
100 0.132 0.000   V 110  S 150 
101 0.462 0.000   R 111  Y 151 
102 0.219 0.000   Q 112  S 152 
103 0.263 0.000 * V 113  V 153 
104 0.673 0.000   Q 114  S 154 
105 1.313 0.000   P 115  N 155 
# ================(  1)==(  0)=|
106 0.846 0.000   N 117  S 156 
107 0.856 0.000   Q 118  E 157 
108 0.798 0.000   G 119  K 158 
109 0.698 0.000   A 120  D 159 
110 0.749 0.000   L 121  I 160 
111 0.751 0.000   L 122  M 161 
112 0.610 0.000   Y 123  A 162 
113 0.696 0.000   S 124  E 163 
114 0.890 0.000 * I 125  I 164 
115 0.574 0.000   A 126  Y 165 
116 1.072 0.000   N 127  K 166 
# ================(  0)==(  1)=X
117 0.630 0.000   Q 128  G 168 
118 0.230 0.000 * P 129  P 169 
119 0.288 0.000 * V 130  V 170 
120 0.208 0.000   S 131  E 171 
121 0.127 0.000   V 132  G 172 
122 0.253 0.000   V 133  A 173 
123 0.214 0.000   L 134  F 174 
124 0.488 0.000   Q 135  S 175 
125 0.767 0.000   A 136  V 176 
# ================(  1)==(  0)=|
126 0.685 0.000   G 138  Y 177 
127 0.850 0.000   K 139  S 178 
128 0.578 0.000 * D 140  D 179 
129 0.360 0.000 * F 141  F 180 
130 0.353 0.000   Q 142  L 181 
131 0.516 0.000 * L 143  L 182 
132 0.214 0.000 * Y 144  Y 183 
133 0.181 0.000   R 145  K 184 
134 0.289 0.000   G 146  S 185 
135 0.297 0.000 * G 147  G 186 
136 0.490 0.000   I 148  V 187 
137 0.474 0.000   F 149  Y 188 
138 0.879 0.000   V 150  Q 189 
139 0.775 0.000   G 151  H 190 
140 1.138 0.000   P 152  V 191 
# ================(  5)==(  6)=X
141 0.457 0.000   D 158  G 198 
142 0.411 0.000 * H 159  H 199 
143 0.145 0.000 * A 160  A 200 
144 0.089 0.000   V 161  I 201 
145 0.351 0.000   A 162  R 202 
146 0.142 0.000   A 163  I 203 
147 0.307 0.000   V 164  L 204 
148 0.416 0.000 * G 165  G 205 
149 0.471 0.000   Y 166  W 206 
150 0.631 0.000 * G 167  G 207 
# ================(  1)==(  5)=X
151 0.590 0.000   N 169  P 213 
152 0.429 0.000 * Y 170  Y 214 
153 0.323 0.000   I 171  W 215 
154 0.164 0.000 * L 172  L 216 
155 0.170 0.000   I 173  V 217 
156 0.214 0.000   K 174  A 218 
157 0.226 0.000 * N 175  N 219 
158 0.170 0.000 * S 176  S 220 
159 0.289 0.000 * W 177  W 221 
160 0.331 0.000   G 178  N 222 
161 0.513 0.000 * T 179  T 223 
162 0.739 0.000   G 180  D 224 
163 0.582 0.000 * W 181  W 225 
164 0.488 0.000 * G 182  G 226 
165 0.261 0.000   E 183  D 227 
166 0.154 0.000 * N 184  N 228 
167 0.220 0.000 * G 185  G 229 
168 0.233 0.000   Y 186  F 230 
169 0.297 0.000   I 187  F 231 
170 0.411 0.000   R 188  K 232 
171 0.434 0.000 * I 189  I 233 
172 0.751 0.000   K 190  L 234 
173 0.689 0.000 * R 191  R 235 
# ================(  6)==(  2)=X
174 0.545 0.000   G 198  D 238 
175 0.640 0.000   V 199  H 239 
176 0.656 0.000 * C 200  C 240 
177 0.617 0.000 * G 201  G 241 
178 0.250 0.000   L 202  I 242 
179 0.644 0.000   Y 203  E 243 
180 0.892 0.000   T 204  S 244 
181 0.496 0.000   S 205  E 245 
182 0.323 0.000   S 206  V 246 
183 0.221 0.000   F 207  V 247 
184 0.228 0.000   Y 208  A 248 
185 0.737 0.000   P 209  G 249 
186 0.702 0.000   V 210  I 250 
187 1.238 0.000   K 211  P 251 
# ================(  1)==(  3)=X
