User input for job 639700

Modeling method CM only

• Superimpose partial threads before hybrid sampling.
• Sample 1 model.

Partial threads

wt: 1 >query MATLRELIIKVSANSQSFQTEIARASRMGQDYYKTMQNGGRQAAAAAKESQKTLSDLTDGFASAGRAATAAAAAFATGKLVQIADQWNSVNARLKQASVSTNDFTLSQTRLMAISQSTGTAFTDNANLFSRAAASMREFGYSSDEVLKITEAVSTGLKLSGASTEEAGSVITQFSQALAQGVLRGEEFNAVNEAGDRVIRALAAGMGVARKDLKAMADQGQLTIDKVVPALISQLGVLQGEFASLPPTVSGSMQKVTNSFMAWVGGVNQATGATDALSGGLDGLAGTLDSLTSSAVSGALSDVADNMSLITTAAGGLIGIGLARYLGGIVTSASSATGALISAAKSEVALAVAQEKAAQSSVAASRAAVYRAQQALQNAKSADVQAAQQERVAAAEAKVTAAQGRLTTALSTGTATEKVRARTALERAQAGLVAAKNADAQAIAERKLAAAQAALSRNISGRISAQNNLNSVTSVGTRLMSGALGLVGGIPGLVMLGAGAWYAMYQSQEQARKSAQEYASQIDQIREKTSSMTLPEVDSNRKLTVEAMQEQKRLIEEQERSVKSLNRQINDLNESRSKPGITQENDLNITKAIAILTEQVVVEEDKLRQMREKANDILKAQEEQERRRNDLIKERAWRQNSEYQNLVMMTGKYSEVNRLLGLGNQLLMERQGLVNVPMRMPQADLTSQQANALEKSRQDLELSKLKGEARERARLGYAADELGLKDEPQFKTNRDLFINQGLAKWQNDESNKPTRKAPKSEEVKAAEKTEDVYKRLIKQQQEQIALGSQNTELAKMKYQVTQGELASLEQAKKEIILQNAALIDQKNIAEQLQTFRDGLADSNAAARDRGNIDFLGAGMGDKARDRMKEMADIRTDFRKQQDELQRDFNKKQISEDQYKQQTEALQAALAERLAIQEDYYKKTDEQQSDWRTGISDSLMNYADQASDLSSMAATATSEILDATTNSISNNLTNVLTGAASFKDGMSNIFSSLGETVIKTLIQMATQALITKAIMASFGGGAGGLFGSLFGGASGAASSGTAIQSAGANFSFNALGGVYDSPSLSAYSNGVYSTPQYFAFAKGAGVFGEAGPEAIMPLTRGADGSLGVRAVGRESPAVQDAARQIEAQPRIAVSVDARSTFSGQPDDATMLAVDRRNAALERRIINTLTAEVNNPQKKFGRAIYSNLQPKKPR >8k35.1.X.pdb I---------------------------------------------------------------GPAA------------------------------------------------------------------------------------------------------------------------------------------------LKAVYDM---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------ARKGAR------DEIQT---------------------------------------------------------------------------------QMRD-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------GGLFS---------------------------------------------------------------------------------------------------------------------------------------------------------------------- ATOM 1 N MET X 1 152.862 154.015 90.278 1.00 0.45 N ATOM 2 CA MET X 1 152.258 155.069 89.374 1.00 0.45 C ATOM 3 C MET X 1 152.603 156.495 89.836 1.00 0.45 C ATOM 4 O MET X 1 151.754 157.367 89.926 1.00 0.45 O ATOM 5 CB MET X 1 150.735 154.798 89.254 1.00 0.45 C ATOM 9 N GLY X 65 153.895 156.765 90.182 1.00 0.49 N ATOM 10 CA GLY X 65 154.302 158.015 90.813 1.00 0.49 C ATOM 11 C GLY X 65 154.052 158.008 92.306 1.00 0.49 C ATOM 12 O GLY X 65 153.546 157.016 92.841 1.00 0.49 O ATOM 13 N ARG X 66 154.413 159.095 92.991 1.00 0.64 N ATOM 14 CA ARG X 66 154.426 159.206 94.448 1.00 0.64 C ATOM 15 C ARG X 66 153.025 159.302 95.035 1.00 0.64 C ATOM 16 O ARG X 66 152.864 159.098 96.230 1.00 0.64 O ATOM 17 CB ARG X 66 155.236 160.492 94.734 1.00 0.64 C ATOM 20 N ALA X 67 151.990 159.607 94.213 1.00 0.66 N ATOM 21 CA ALA X 67 150.595 159.644 94.619 1.00 0.66 C ATOM 22 C ALA X 67 150.089 158.293 95.139 1.00 0.66 C ATOM 23 O ALA X 67 149.369 158.219 96.122 1.00 0.66 O ATOM 24 CB ALA X 67 149.706 160.144 93.454 1.00 0.66 C ATOM 25 N ALA X 68 150.532 157.179 94.493 1.00 0.67 N ATOM 26 CA ALA X 68 150.278 155.823 94.944 1.00 0.67 C ATOM 27 C ALA X 68 150.873 155.558 96.333 1.00 0.67 C ATOM 28 O ALA X 68 150.222 154.997 97.193 1.00 0.67 O ATOM 29 CB ALA X 68 150.835 154.801 93.915 1.00 0.67 C ATOM 30 N LEU X 213 152.125 156.026 96.585 1.00 0.64 N ATOM 31 CA LEU X 213 152.811 155.904 97.866 1.00 0.64 C ATOM 32 C LEU X 213 152.100 156.649 98.976 1.00 0.64 C ATOM 33 O LEU X 213 151.943 156.147 100.083 1.00 0.64 O ATOM 34 CB LEU X 213 154.265 156.440 97.785 1.00 0.64 C ATOM 38 N LYS X 214 151.622 157.879 98.672 1.00 0.69 N ATOM 39 CA LYS X 214 150.815 158.651 99.592 1.00 0.69 C ATOM 40 C LYS X 214 149.484 157.976 99.956 1.00 0.69 C ATOM 41 O LYS X 214 149.166 157.839 101.128 1.00 0.69 O ATOM 42 CB LYS X 214 150.568 160.092 99.058 1.00 0.69 C ATOM 47 N ALA X 215 148.721 157.469 98.954 1.00 0.71 N ATOM 48 CA ALA X 215 147.472 156.751 99.164 1.00 0.71 C ATOM 49 C ALA X 215 147.638 155.463 99.980 1.00 0.71 C ATOM 50 O ALA X 215 146.847 155.162 100.869 1.00 0.71 O ATOM 51 CB ALA X 215 146.843 156.417 97.789 1.00 0.71 C ATOM 52 N MET X 216 148.718 154.688 99.706 1.00 0.70 N ATOM 53 CA MET X 216 149.115 153.514 100.482 1.00 0.70 C ATOM 54 C MET X 216 149.448 153.858 101.934 1.00 0.70 C ATOM 55 O MET X 216 149.002 153.171 102.849 1.00 0.70 O ATOM 56 CB MET X 216 150.258 152.735 99.814 1.00 0.70 C ATOM 59 N ALA X 217 150.188 154.966 102.193 1.00 0.67 N ATOM 60 CA ALA X 217 150.483 155.471 103.527 1.00 0.67 C ATOM 61 C ALA X 217 149.218 155.826 104.335 1.00 0.67 C ATOM 62 O ALA X 217 149.086 155.451 105.499 1.00 0.67 O ATOM 63 CB ALA X 217 151.442 156.701 103.409 1.00 0.67 C ATOM 71 N ASP X 218 148.240 156.530 103.721 1.00 0.69 N ATOM 72 CA ASP X 218 146.975 156.891 104.343 1.00 0.69 C ATOM 73 C ASP X 218 146.114 155.663 104.699 1.00 0.69 C ATOM 74 O ASP X 218 145.578 155.557 105.803 1.00 0.69 O ATOM 75 CB ASP X 218 146.228 157.892 103.423 1.00 0.69 C ATOM 79 N GLN X 219 146.039 154.670 103.778 1.00 0.68 N ATOM 80 CA GLN X 219 145.441 153.355 103.985 1.00 0.68 C ATOM 81 C GLN X 219 146.107 152.539 105.094 1.00 0.68 C ATOM 82 O GLN X 219 145.429 151.968 105.945 1.00 0.68 O ATOM 83 CB GLN X 219 145.468 152.555 102.652 1.00 0.68 C ATOM 87 N ALA X 511 147.461 152.513 105.147 1.00 0.72 N ATOM 88 CA ALA X 511 148.245 151.882 106.195 1.00 0.72 C ATOM 89 C ALA X 511 147.977 152.482 107.574 1.00 0.72 C ATOM 90 O ALA X 511 147.786 151.775 108.558 1.00 0.72 O ATOM 91 CB ALA X 511 149.755 152.011 105.872 1.00 0.72 C ATOM 92 N ARG X 512 147.898 153.830 107.659 1.00 0.70 N ATOM 93 CA ARG X 512 147.501 154.534 108.862 1.00 0.70 C ATOM 94 C ARG X 512 146.092 154.240 109.326 1.00 0.70 C ATOM 95 O ARG X 512 145.850 154.132 110.520 1.00 0.70 O ATOM 96 CB ARG X 512 147.617 156.071 108.707 1.00 0.70 C ATOM 103 N LYS X 513 145.119 154.149 108.395 1.00 0.70 N ATOM 104 CA LYS X 513 143.770 153.732 108.716 1.00 0.70 C ATOM 105 C LYS X 513 143.709 152.307 109.265 1.00 0.70 C ATOM 106 O LYS X 513 143.122 152.081 110.308 1.00 0.70 O ATOM 107 CB LYS X 513 142.832 153.872 107.487 1.00 0.70 C ATOM 112 N SER X 514 144.409 151.349 108.600 1.00 0.74 N ATOM 113 CA SER X 514 144.500 149.962 109.054 1.00 0.74 C ATOM 114 C SER X 514 145.187 149.782 110.385 1.00 0.74 C ATOM 115 O SER X 514 144.807 148.920 111.170 1.00 0.74 O ATOM 116 N ALA X 515 146.195 150.624 110.702 1.00 0.73 N ATOM 117 CA ALA X 515 146.831 150.674 112.005 1.00 0.73 C ATOM 118 C ALA X 515 145.891 151.090 113.144 1.00 0.73 C ATOM 119 O ALA X 515 145.869 150.467 114.193 1.00 0.73 O ATOM 120 CB ALA X 515 148.059 151.618 111.970 1.00 0.73 C ATOM 121 N GLN X 516 145.059 152.146 112.949 1.00 0.71 N ATOM 122 CA GLN X 516 144.073 152.579 113.937 1.00 0.71 C ATOM 123 C GLN X 516 142.986 151.542 114.203 1.00 0.71 C ATOM 124 O GLN X 516 142.648 151.286 115.353 1.00 0.71 O ATOM 125 CB GLN X 516 143.317 153.856 113.493 1.00 0.71 C ATOM 132 N ASP X 523 142.444 150.929 113.113 1.00 0.73 N ATOM 133 CA ASP X 523 141.454 149.873 113.153 1.00 0.73 C ATOM 134 C ASP X 523 142.015 148.649 113.890 1.00 0.73 C ATOM 135 O ASP X 523 141.392 148.142 114.814 1.00 0.73 O ATOM 136 CB ASP X 523 140.990 149.513 111.701 1.00 0.73 C ATOM 140 N GLN X 524 143.266 148.212 113.571 1.00 0.74 N ATOM 141 CA GLN X 524 143.913 147.108 114.270 1.00 0.74 C ATOM 142 C GLN X 524 144.105 147.367 115.759 1.00 0.74 C ATOM 143 O GLN X 524 143.754 146.540 116.592 1.00 0.74 O ATOM 144 CB GLN X 524 145.280 146.717 113.638 1.00 0.74 C ATOM 149 N ILE X 525 144.587 148.576 116.153 1.00 0.74 N ATOM 150 CA ILE X 525 144.745 148.940 117.562 1.00 0.74 C ATOM 151 C ILE X 525 143.421 148.881 118.314 1.00 0.74 C ATOM 152 O ILE X 525 143.338 148.244 119.355 1.00 0.74 O ATOM 153 CB ILE X 525 145.392 150.320 117.751 1.00 0.74 C ATOM 157 N ARG X 526 142.336 149.475 117.755 1.00 0.72 N ATOM 158 CA ARG X 526 140.995 149.428 118.320 1.00 0.72 C ATOM 159 C ARG X 526 140.437 148.021 118.442 1.00 0.72 C ATOM 160 O ARG X 526 139.876 147.668 119.480 1.00 0.72 O ATOM 161 CB ARG X 526 140.026 150.338 117.520 1.00 0.72 C ATOM 166 N GLU X 527 140.633 147.166 117.414 1.00 0.74 N ATOM 167 CA GLU X 527 140.290 145.739 117.451 1.00 0.74 C ATOM 168 C GLU X 527 141.024 144.983 118.557 1.00 0.74 C ATOM 169 O GLU X 527 140.407 144.207 119.279 1.00 0.74 O ATOM 170 CB GLU X 527 140.523 144.991 116.135 1.00 0.74 C ATOM 173 N GLN X 609 142.348 145.219 118.753 1.00 0.72 N ATOM 174 CA GLN X 609 143.163 144.583 119.787 1.00 0.72 C ATOM 175 C GLN X 609 142.932 145.059 121.219 1.00 0.72 C ATOM 176 O GLN X 609 143.298 144.376 122.165 1.00 0.72 O ATOM 177 CB GLN X 609 144.681 144.823 119.546 1.00 0.72 C ATOM 182 N MET X 610 142.351 146.264 121.423 1.00 0.67 N ATOM 183 CA MET X 610 142.032 146.758 122.757 1.00 0.67 C ATOM 184 C MET X 610 140.863 146.076 123.445 1.00 0.67 C ATOM 185 O MET X 610 140.747 146.128 124.656 1.00 0.67 O ATOM 186 CB MET X 610 141.688 148.265 122.768 1.00 0.67 C ATOM 190 N ARG X 611 139.950 145.444 122.677 1.00 0.65 N ATOM 191 CA ARG X 611 138.841 144.717 123.273 1.00 0.65 C ATOM 192 C ARG X 611 139.248 143.379 123.864 1.00 0.65 C ATOM 193 O ARG X 611 140.377 142.911 123.686 1.00 0.65 O ATOM 194 CB ARG X 611 137.671 144.535 122.273 1.00 0.65 C ATOM 201 N GLU X 612 138.339 142.733 124.617 1.00 0.65 N ATOM 202 CA GLU X 612 138.603 141.520 125.354 1.00 0.65 C ATOM 203 C GLU X 612 139.257 140.383 124.570 1.00 0.65 C ATOM 204 O GLU X 612 138.813 139.973 123.495 1.00 0.65 O ATOM 205 CB GLU X 612 137.320 141.011 126.063 1.00 0.65 C ATOM 209 N GLY X1022 140.375 139.859 125.115 1.00 0.68 N ATOM 210 CA GLY X1022 141.128 138.759 124.535 1.00 0.68 C ATOM 211 C GLY X1022 142.241 139.174 123.604 1.00 0.68 C ATOM 212 O GLY X1022 143.016 138.337 123.177 1.00 0.68 O ATOM 213 N GLY X1023 142.346 140.482 123.255 1.00 0.71 N ATOM 214 CA GLY X1023 143.450 140.979 122.434 1.00 0.71 C ATOM 215 C GLY X1023 144.735 141.189 123.194 1.00 0.71 C ATOM 216 O GLY X1023 144.811 140.934 124.395 1.00 0.71 O ATOM 217 N LEU X1024 145.797 141.687 122.525 1.00 0.66 N ATOM 218 CA LEU X1024 147.104 141.922 123.131 1.00 0.66 C ATOM 219 C LEU X1024 147.177 143.014 124.198 1.00 0.66 C ATOM 220 O LEU X1024 148.031 142.989 125.058 1.00 0.66 O ATOM 221 CB LEU X1024 148.175 142.311 122.086 1.00 0.66 C ATOM 225 N PHE X1025 146.312 144.049 124.051 1.00 0.50 N ATOM 226 CA PHE X1025 146.284 145.200 124.937 1.00 0.50 C ATOM 227 C PHE X1025 145.300 145.090 126.105 1.00 0.50 C ATOM 228 O PHE X1025 145.314 145.947 126.977 1.00 0.50 O ATOM 229 CB PHE X1025 145.883 146.473 124.124 1.00 0.50 C ATOM 236 N GLY X1026 144.452 144.033 126.125 1.00 0.47 N ATOM 237 CA GLY X1026 143.605 143.656 127.254 1.00 0.47 C ATOM 238 C GLY X1026 144.418 142.738 128.213 1.00 0.47 C ATOM 239 O GLY X1026 145.531 142.291 127.821 1.00 0.47 O TER END

Sequence

MATLRELIIKVSANSQSFQTEIARASRMGQDYYKTMQNGGRQAAAAAKESQKTLSDLTDGFASAGRAATAAAAAFATGKLVQIADQWNSVNARLKQASVSTNDFTLSQTRLMAISQSTGTAFTDNANLFSRAAASMREFGYSSDEVLKITEAVSTGLKLSGASTEEAGSVITQFSQALAQGVLRGEEFNAVNEAGDRVIRALAAGMGVARKDLKAMADQGQLTIDKVVPALISQLGVLQGEFASLPPTVSGSMQKVTNSFMAWVGGVNQATGATDALSGGLDGLAGTLDSLTSSAVSGALSDVADNMSLITTAAGGLIGIGLARYLGGIVTSASSATGALISAAKSEVALAVAQEKAAQSSVAASRAAVYRAQQALQNAKSADVQAAQQERVAAAEAKVTAAQGRLTTALSTGTATEKVRARTALERAQAGLVAAKNADAQAIAERKLAAAQAALSRNISGRISAQNNLNSVTSVGTRLMSGALGLVGGIPGLVMLGAGAWYAMYQSQEQARKSAQEYASQIDQIREKTSSMTLPEVDSNRKLTVEAMQEQKRLIEEQERSVKSLNRQINDLNESRSKPGITQENDLNITKAIAILTEQVVVEEDKLRQMREKANDILKAQEEQERRRNDLIKERAWRQNSEYQNLVMMTGKYSEVNRLLGLGNQLLMERQGLVNVPMRMPQADLTSQQANALEKSRQDLELSKLKGEARERARLGYAADELGLKDEPQFKTNRDLFINQGLAKWQNDESNKPTRKAPKSEEVKAAEKTEDVYKRLIKQQQEQIALGSQNTELAKMKYQVTQGELASLEQAKKEIILQNAALIDQKNIAEQLQTFRDGLADSNAAARDRGNIDFLGAGMGDKARDRMKEMADIRTDFRKQQDELQRDFNKKQISEDQYKQQTEALQAALAERLAIQEDYYKKTDEQQSDWRTGISDSLMNYADQASDLSSMAATATSEILDATTNSISNNLTNVLTGAASFKDGMSNIFSSLGETVIKTLIQMATQALITKAIMASFGGGAGGLFGSLFGGASGAASSGTAIQSAGANFSFNALGGVYDSPSLSAYSNGVYSTPQYFAFAKGAGVFGEAGPEAIMPLTRGADGSLGVRAVGRESPAVQDAARQIEAQPRIAVSVDARSTFSGQPDDATMLAVDRRNAALERRIINTLTAEVNNPQKKFGRAIYSNLQPKKPR

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