Mercurial > repos > bioinformatics_lab_ufsc > epibuilder
diff test-data/input_bcell_command_line.txt @ 0:ef26009cd70a draft
Uploaded version 1.1
author | bioinformatics_lab_ufsc |
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date | Thu, 25 Nov 2021 01:26:36 +0000 |
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--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/input_bcell_command_line.txt Thu Nov 25 01:26:36 2021 +0000 @@ -0,0 +1,1153 @@ +input: 5C0N_A Chain A of Development of a therapeutic monoclonal antibody that targets secreted fatty acid-binding protein aP2 to treat type 2 diabetes. +Position Residue Score Assignment +0 C 0.243 E +1 D 0.294 E +2 A 0.340 E +3 F 0.402 E +4 V 0.452 E +5 G 0.469 E +6 T 0.488 E +7 W 0.502 E +8 K 0.522 E +9 L 0.533 E +10 V 0.554 E +11 S 0.562 E +12 S 0.573 E +13 E 0.582 E +14 N 0.576 E +15 F 0.554 E +16 D 0.546 E +17 D 0.545 E +18 Y 0.535 E +19 M 0.529 E +20 K 0.527 E +21 E 0.520 E +22 V 0.526 E +23 G 0.536 E +24 V 0.547 E +25 G 0.548 E +26 F 0.544 E +27 A 0.542 E +28 T 0.517 E +29 R 0.525 E +30 K 0.521 E +31 V 0.512 E +32 A 0.510 E +33 G 0.508 E +34 M 0.497 E +35 A 0.479 E +36 K 0.472 E +37 P 0.463 E +38 N 0.452 E +39 M 0.450 E +40 I 0.453 E +41 I 0.448 E +42 S 0.458 E +43 V 0.468 E +44 N 0.468 E +45 G 0.466 E +46 D 0.467 E +47 L 0.467 E +48 V 0.460 E +49 T 0.457 E +50 I 0.454 E +51 R 0.447 E +52 S 0.448 E +53 E 0.469 E +54 S 0.486 E +55 T 0.502 E +56 F 0.508 E +57 K 0.509 E +58 N 0.501 E +59 T 0.486 E +60 E 0.477 E +61 I 0.473 E +62 S 0.458 E +63 F 0.454 E +64 K 0.464 E +65 L 0.462 E +66 G 0.468 E +67 V 0.489 E +68 E 0.519 E +69 F 0.531 E +70 D 0.538 E +71 E 0.556 E +72 I 0.569 E +73 T 0.582 E +74 A 0.589 E +75 D 0.577 E +76 D 0.557 E +77 R 0.543 E +78 K 0.523 E +79 V 0.494 E +80 K 0.475 E +81 S 0.455 E +82 I 0.432 E +83 I 0.421 E +84 T 0.427 E +85 L 0.427 E +86 D 0.426 E +87 G 0.437 E +88 G 0.461 E +89 A 0.458 E +90 L 0.473 E +91 V 0.486 E +92 Q 0.502 E +93 V 0.515 E +94 Q 0.529 E +95 K 0.540 E +96 W 0.547 E +97 D 0.551 E +98 G 0.560 E +99 K 0.551 E +100 S 0.547 E +101 T 0.543 E +102 T 0.530 E +103 I 0.520 E +104 K 0.515 E +105 R 0.505 E +106 K 0.505 E +107 R 0.507 E +108 D 0.499 E +109 G 0.490 E +110 D 0.468 E +111 K 0.458 E +112 L 0.438 E +113 V 0.433 E +114 V 0.433 E +115 E 0.426 E +116 C 0.415 E +117 V 0.413 E +118 M 0.415 E +119 K 0.424 E +120 G 0.426 E +121 V 0.448 E +122 T 0.442 E +123 S 0.436 E +124 T 0.439 E +125 R 0.447 E +126 V 0.453 E +127 Y 0.401 E +128 E 0.353 E +129 R 0.308 E +130 A 0.251 E +input: 5BVP_A Chain A of The molecular mode of action and species specificity of canakinumab, a human monoclonal antibody neutralizing IL-1beta +Position Residue Score Assignment +0 V 0.228 E +1 R 0.273 E +2 S 0.308 E +3 L 0.333 E +4 N 0.388 E +5 C 0.399 E +6 T 0.409 E +7 L 0.419 E +8 R 0.440 E +9 D 0.451 E +10 S 0.456 E +11 Q 0.449 E +12 Q 0.450 E +13 K 0.430 E +14 S 0.433 E +15 L 0.430 E +16 V 0.424 E +17 M 0.415 E +18 S 0.406 E +19 G 0.390 E +20 P 0.414 E +21 Y 0.415 E +22 E 0.427 E +23 L 0.425 E +24 K 0.425 E +25 A 0.439 E +26 L 0.456 E +27 H 0.482 E +28 L 0.523 E +29 Q 0.540 E +30 G 0.576 E +31 Q 0.591 E +32 D 0.609 E +33 M 0.600 E +34 E 0.582 E +35 Q 0.542 E +36 Q 0.512 E +37 V 0.469 E +38 V 0.456 E +39 F 0.437 E +40 S 0.421 E +41 M 0.414 E +42 S 0.436 E +43 F 0.459 E +44 V 0.502 E +45 Q 0.525 E +46 G 0.552 E +47 E 0.559 E +48 E 0.575 E +49 S 0.584 E +50 N 0.559 E +51 D 0.524 E +52 K 0.485 E +53 I 0.448 E +54 P 0.417 E +55 V 0.394 E +56 A 0.388 E +57 L 0.385 E +58 G 0.388 E +59 L 0.405 E +60 K 0.428 E +61 E 0.439 E +62 K 0.442 E +63 N 0.440 E +64 L 0.441 E +65 Y 0.434 E +66 L 0.429 E +67 S 0.426 E +68 C 0.427 E +69 V 0.428 E +70 L 0.435 E +71 K 0.448 E +72 D 0.460 E +73 D 0.453 E +74 K 0.454 E +75 P 0.439 E +76 T 0.448 E +77 L 0.459 E +78 Q 0.477 E +79 L 0.490 E +80 E 0.500 E +81 S 0.521 E +82 V 0.553 E +83 D 0.562 E +84 P 0.591 E +85 K 0.591 E +86 N 0.587 E +87 Y 0.579 E +88 P 0.559 E +89 K 0.550 E +90 K 0.534 E +91 K 0.523 E +92 M 0.513 E +93 E 0.492 E +94 K 0.475 E +95 R 0.460 E +96 F 0.446 E +97 V 0.460 E +98 F 0.471 E +99 N 0.485 E +100 K 0.499 E +101 I 0.512 E +102 E 0.538 E +103 I 0.543 E +104 N 0.559 E +105 N 0.539 E +106 K 0.536 E +107 L 0.510 E +108 E 0.490 E +109 F 0.477 E +110 E 0.469 E +111 S 0.448 E +112 A 0.447 E +113 Q 0.418 E +114 F 0.422 E +115 P 0.394 E +116 N 0.385 E +117 W 0.376 E +118 Y 0.370 E +119 I 0.383 E +120 S 0.391 E +121 T 0.406 E +122 S 0.433 E +123 Q 0.448 E +124 A 0.474 E +125 E 0.481 E +126 N 0.491 E +127 M 0.475 E +128 P 0.451 E +129 V 0.453 E +130 F 0.454 E +131 L 0.456 E +132 G 0.473 E +133 G 0.488 E +134 G 0.508 E +135 G 0.516 E +136 Q 0.540 E +137 D 0.535 E +138 I 0.521 E +139 T 0.493 E +140 D 0.485 E +141 F 0.478 E +142 T 0.468 E +143 M 0.466 E +144 Q 0.471 E +145 F 0.414 E +146 V 0.376 E +147 S 0.328 E +148 S 0.290 E +input: 4XAK_A Chain A of Crystal structure of potent neutralizing antibody m336 in complex with MERS Co-V RBD +Position Residue Score Assignment +0 V 0.269 E +1 E 0.332 E +2 C 0.394 E +3 D 0.452 E +4 F 0.519 E +5 S 0.526 E +6 P 0.542 E +7 L 0.539 E +8 L 0.532 E +9 S 0.525 E +10 G 0.525 E +11 T 0.519 E +12 P 0.523 E +13 P 0.513 E +14 Q 0.501 E +15 V 0.501 E +16 Y 0.503 E +17 N 0.505 E +18 F 0.505 E +19 K 0.493 E +20 R 0.489 E +21 L 0.495 E +22 V 0.501 E +23 F 0.521 E +24 T 0.531 E +25 N 0.544 E +26 C 0.542 E +27 N 0.548 E +28 Y 0.565 E +29 N 0.561 E +30 L 0.559 E +31 T 0.560 E +32 K 0.548 E +33 L 0.552 E +34 L 0.550 E +35 S 0.556 E +36 L 0.569 E +37 F 0.566 E +38 S 0.579 E +39 V 0.580 E +40 N 0.571 E +41 D 0.576 E +42 F 0.573 E +43 T 0.564 E +44 C 0.569 E +45 S 0.551 E +46 Q 0.542 E +47 I 0.538 E +48 S 0.518 E +49 P 0.512 E +50 A 0.513 E +51 A 0.511 E +52 I 0.522 E +53 A 0.530 E +54 S 0.545 E +55 N 0.554 E +56 C 0.562 E +57 Y 0.570 E +58 S 0.577 E +59 S 0.567 E +60 L 0.558 E +61 I 0.547 E +62 L 0.536 E +63 D 0.531 E +64 Y 0.519 E +65 F 0.515 E +66 S 0.525 E +67 Y 0.536 E +68 P 0.549 E +69 L 0.562 E +70 S 0.572 E +71 M 0.582 E +72 K 0.593 E +73 S 0.610 E +74 D 0.628 E +75 L 0.625 E +76 S 0.618 E +77 V 0.608 E +78 S 0.590 E +79 S 0.582 E +80 A 0.579 E +81 G 0.568 E +82 P 0.563 E +83 I 0.549 E +84 S 0.547 E +85 Q 0.555 E +86 F 0.569 E +87 N 0.581 E +88 Y 0.578 E +89 K 0.582 E +90 Q 0.582 E +91 S 0.572 E +92 F 0.568 E +93 S 0.569 E +94 N 0.561 E +95 P 0.536 E +96 T 0.525 E +97 C 0.516 E +98 L 0.507 E +99 I 0.500 E +100 L 0.505 E +101 A 0.511 E +102 T 0.520 E +103 V 0.513 E +104 P 0.523 E +105 H 0.534 E +106 N 0.538 E +107 L 0.531 E +108 T 0.539 E +109 T 0.529 E +110 I 0.518 E +111 T 0.501 E +112 K 0.510 E +113 P 0.504 E +114 L 0.499 E +115 K 0.507 E +116 Y 0.520 E +117 S 0.525 E +118 Y 0.532 E +119 I 0.534 E +120 N 0.547 E +121 K 0.545 E +122 C 0.558 E +123 S 0.556 E +124 R 0.560 E +125 F 0.559 E +126 L 0.557 E +127 S 0.559 E +128 D 0.556 E +129 D 0.539 E +130 R 0.532 E +131 T 0.532 E +132 E 0.530 E +133 V 0.527 E +134 P 0.533 E +135 Q 0.527 E +136 L 0.552 E +137 V 0.570 E +138 N 0.591 E +139 A 0.607 E +140 N 0.604 E +141 Q 0.604 E +142 Y 0.603 E +143 S 0.588 E +144 P 0.582 E +145 C 0.549 E +146 V 0.523 E +147 S 0.512 E +148 I 0.506 E +149 V 0.505 E +150 P 0.514 E +151 S 0.512 E +152 T 0.512 E +153 V 0.512 E +154 W 0.521 E +155 E 0.522 E +156 D 0.518 E +157 G 0.505 E +158 D 0.517 E +159 Y 0.520 E +160 Y 0.522 E +161 R 0.528 E +162 K 0.532 E +163 Q 0.530 E +164 L 0.545 E +165 S 0.547 E +166 P 0.558 E +167 L 0.546 E +168 E 0.539 E +169 G 0.540 E +170 G 0.540 E +171 G 0.544 E +172 W 0.562 E +173 L 0.558 E +174 V 0.580 E +175 A 0.583 E +176 S 0.589 E +177 G 0.597 E +178 S 0.610 E +179 T 0.616 E +180 V 0.628 E +181 A 0.627 E +182 M 0.626 E +183 T 0.621 E +184 E 0.627 E +185 Q 0.623 E +186 L 0.607 E +187 Q 0.589 E +188 M 0.571 E +189 G 0.556 E +190 F 0.545 E +191 G 0.551 E +192 I 0.549 E +193 T 0.542 E +194 V 0.548 E +195 Q 0.558 E +196 Y 0.572 E +197 G 0.587 E +198 T 0.587 E +199 T 0.584 E +200 N 0.574 E +201 S 0.567 E +202 V 0.564 E +203 C 0.570 E +204 P 0.564 E +205 K 0.560 E +206 L 0.495 E +207 E 0.437 E +208 F 0.378 E +209 A 0.320 E +input: 4WFF_A Chain A of Human TRAAK K+ channel in a K+ bound nonconductive conformation +Position Residue Score Assignment +0 R 0.182 E +1 S 0.223 E +2 T 0.268 E +3 T 0.291 E +4 L 0.316 E +5 L 0.313 E +6 A 0.310 E +7 L 0.295 E +8 L 0.285 E +9 A 0.279 E +10 L 0.269 E +11 V 0.252 E +12 L 0.251 E +13 L 0.266 E +14 Y 0.276 E +15 L 0.291 E +16 V 0.313 E +17 S 0.324 E +18 G 0.309 E +19 A 0.328 E +20 L 0.351 E +21 V 0.358 E +22 F 0.366 E +23 R 0.398 E +24 A 0.426 E +25 L 0.440 E +26 E 0.464 E +27 Q 0.507 E +28 P 0.524 E +29 H 0.533 E +30 E 0.572 E +31 Q 0.593 E +32 Q 0.591 E +33 A 0.574 E +34 Q 0.574 E +35 R 0.572 E +36 E 0.572 E +37 L 0.566 E +38 G 0.575 E +39 E 0.566 E +40 V 0.537 E +41 R 0.528 E +42 E 0.548 E +43 K 0.549 E +44 F 0.545 E +45 L 0.541 E +46 R 0.542 E +47 A 0.536 E +48 H 0.541 E +49 P 0.567 E +50 C 0.572 E +51 V 0.584 E +52 S 0.577 E +53 D 0.583 E +54 Q 0.577 E +55 E 0.550 E +56 L 0.533 E +57 G 0.526 E +58 L 0.507 E +59 L 0.471 E +60 I 0.444 E +61 K 0.443 E +62 E 0.432 E +63 V 0.416 E +64 A 0.443 E +65 D 0.455 E +66 A 0.463 E +67 L 0.473 E +68 G 0.514 E +69 G 0.532 E +70 G 0.553 E +71 A 0.588 E +72 D 0.623 E +73 P 0.631 E +74 E 0.647 E +75 T 0.651 E +76 S 0.653 E +77 H 0.645 E +78 S 0.627 E +79 A 0.610 E +80 W 0.577 E +81 D 0.544 E +82 L 0.519 E +83 G 0.493 E +84 S 0.457 E +85 A 0.424 E +86 F 0.395 E +87 F 0.380 E +88 F 0.353 E +89 S 0.339 E +90 G 0.338 E +91 T 0.348 E +92 I 0.365 E +93 I 0.394 E +94 T 0.435 E +95 T 0.477 E +96 I 0.501 E +97 G 0.534 E +98 Y 0.562 E +99 G 0.573 E +100 N 0.595 E +101 V 0.583 E +102 A 0.581 E +103 L 0.573 E +104 R 0.549 E +105 T 0.538 E +106 D 0.520 E +107 A 0.490 E +108 G 0.467 E +109 R 0.417 E +110 L 0.389 E +111 F 0.357 E +112 C 0.321 E +113 I 0.301 E +114 F 0.277 E +115 Y 0.263 E +116 A 0.260 E +117 L 0.270 E +118 V 0.277 E +119 G 0.286 E +120 I 0.289 E +121 P 0.310 E +122 L 0.316 E +123 F 0.322 E +124 G 0.329 E +125 I 0.339 E +126 L 0.347 E +127 L 0.366 E +128 A 0.393 E +129 G 0.430 E +130 V 0.444 E +131 G 0.458 E +132 D 0.472 E +133 R 0.484 E +134 L 0.485 E +135 G 0.504 E +136 S 0.510 E +137 S 0.500 E +138 L 0.497 E +139 R 0.493 E +140 H 0.499 E +141 G 0.505 E +142 I 0.518 E +143 G 0.529 E +144 H 0.526 E +145 I 0.528 E +146 E 0.543 E +147 A 0.550 E +148 I 0.567 E +149 F 0.585 E +150 L 0.604 E +151 K 0.606 E +152 W 0.617 E +153 H 0.628 E +154 V 0.644 E +155 P 0.648 E +156 P 0.664 E +157 E 0.648 E +158 L 0.642 E +159 V 0.638 E +160 R 0.630 E +161 V 0.627 E +162 L 0.619 E +163 S 0.607 E +164 A 0.604 E +165 M 0.569 E +166 L 0.564 E +167 F 0.532 E +168 L 0.493 E +169 L 0.466 E +170 I 0.433 E +171 G 0.401 E +172 C 0.356 E +173 L 0.305 E +174 L 0.282 E +175 F 0.261 E +176 V 0.255 E +177 L 0.261 E +178 T 0.262 E +179 P 0.263 E +180 T 0.271 E +181 F 0.304 E +182 V 0.342 E +183 F 0.379 E +184 C 0.420 E +185 Y 0.445 E +186 M 0.481 E +187 E 0.509 E +188 D 0.532 E +189 W 0.540 E +190 S 0.528 E +191 K 0.515 E +192 L 0.470 E +193 E 0.427 E +194 A 0.393 E +195 I 0.352 E +196 Y 0.320 E +197 F 0.288 E +198 V 0.262 E +199 V 0.253 E +200 T 0.243 E +201 L 0.258 E +202 T 0.280 E +203 T 0.318 E +204 V 0.345 E +205 G 0.372 E +206 F 0.404 E +207 G 0.431 E +208 D 0.459 E +209 Y 0.488 E +210 V 0.513 E +211 A 0.538 E +212 G 0.559 E +213 A 0.578 E +214 D 0.591 E +215 P 0.602 E +216 R 0.624 E +217 Q 0.639 E +218 D 0.638 E +219 S 0.631 E +220 P 0.607 E +221 A 0.579 E +222 Y 0.545 E +223 Q 0.519 E +224 P 0.487 E +225 L 0.446 E +226 V 0.400 E +227 W 0.365 E +228 F 0.329 E +229 W 0.304 E +230 I 0.282 E +231 L 0.281 E +232 L 0.288 E +233 G 0.281 E +234 L 0.274 E +235 A 0.285 E +236 Y 0.293 E +237 F 0.317 E +238 A 0.339 E +239 S 0.367 E +240 V 0.360 E +241 L 0.349 E +242 T 0.374 E +243 T 0.406 E +244 I 0.403 E +245 G 0.427 E +246 N 0.435 E +247 W 0.426 E +248 L 0.372 E +249 R 0.337 E +250 V 0.296 E +251 V 0.243 E +input: 4WFF_B Chain B of Human TRAAK K+ channel in a K+ bound nonconductive conformation +Position Residue Score Assignment +0 R 0.185 E +1 S 0.226 E +2 T 0.274 E +3 T 0.297 E +4 L 0.323 E +5 L 0.319 E +6 A 0.314 E +7 L 0.300 E +8 L 0.291 E +9 A 0.286 E +10 L 0.275 E +11 V 0.255 E +12 L 0.253 E +13 L 0.269 E +14 Y 0.281 E +15 L 0.297 E +16 V 0.318 E +17 S 0.327 E +18 G 0.314 E +19 A 0.333 E +20 L 0.360 E +21 V 0.368 E +22 F 0.375 E +23 R 0.406 E +24 A 0.438 E +25 L 0.455 E +26 E 0.484 E +27 Q 0.526 E +28 P 0.543 E +29 H 0.551 E +30 E 0.589 E +31 Q 0.610 E +32 Q 0.609 E +33 A 0.586 E +34 Q 0.581 E +35 R 0.576 E +36 E 0.577 E +37 L 0.570 E +38 G 0.581 E +39 E 0.575 E +40 V 0.548 E +41 R 0.528 E +42 E 0.551 E +43 K 0.552 E +44 F 0.546 E +45 L 0.537 E +46 R 0.538 E +47 A 0.531 E +48 H 0.534 E +49 P 0.556 E +50 C 0.569 E +51 V 0.578 E +52 S 0.573 E +53 D 0.577 E +54 Q 0.575 E +55 E 0.546 E +56 L 0.520 E +57 G 0.509 E +58 L 0.490 E +59 L 0.456 E +60 I 0.426 E +61 K 0.424 E +62 E 0.413 E +63 V 0.393 E +64 A 0.418 E +65 D 0.436 E +66 A 0.444 E +67 L 0.442 E +68 G 0.480 E +69 G 0.503 E +70 G 0.523 E +71 A 0.552 E +72 D 0.591 E +73 P 0.618 E +74 E 0.634 E +75 T 0.649 E +76 Q 0.682 E +77 S 0.682 E +78 S 0.684 E +79 H 0.673 E +80 S 0.651 E +81 A 0.632 E +82 W 0.607 E +83 D 0.587 E +84 L 0.553 E +85 G 0.535 E +86 S 0.516 E +87 A 0.482 E +88 F 0.458 E +89 F 0.434 E +90 F 0.403 E +91 S 0.371 E +92 G 0.349 E +93 T 0.357 E +94 I 0.350 E +95 I 0.355 E +96 T 0.375 E +97 T 0.405 E +98 I 0.441 E +99 G 0.478 E +100 Y 0.524 E +101 G 0.569 E +102 N 0.598 E +103 V 0.602 E +104 A 0.619 E +105 L 0.623 E +106 R 0.621 E +107 T 0.616 E +108 D 0.603 E +109 A 0.576 E +110 G 0.541 E +111 R 0.497 E +112 L 0.463 E +113 F 0.425 E +114 C 0.390 E +115 I 0.347 E +116 F 0.316 E +117 Y 0.294 E +118 A 0.282 E +119 L 0.284 E +120 V 0.287 E +121 G 0.299 E +122 I 0.300 E +123 P 0.313 E +124 L 0.324 E +125 F 0.329 E +126 G 0.338 E +127 I 0.352 E +128 L 0.362 E +129 L 0.381 E +130 A 0.403 E +131 G 0.440 E +132 V 0.464 E +133 G 0.484 E +134 D 0.501 E +135 R 0.524 E +136 L 0.538 E +137 G 0.553 E +138 S 0.555 E +139 S 0.555 E +140 L 0.549 E +141 R 0.542 E +142 H 0.547 E +143 G 0.553 E +144 I 0.563 E +145 G 0.564 E +146 H 0.573 E +147 I 0.590 E +148 E 0.593 E +149 A 0.602 E +150 I 0.616 E +151 F 0.629 E +152 L 0.644 E +153 K 0.637 E +154 W 0.641 E +155 H 0.642 E +156 V 0.640 E +157 P 0.649 E +158 P 0.665 E +159 E 0.654 E +160 L 0.645 E +161 V 0.631 E +162 R 0.619 E +163 V 0.598 E +164 L 0.577 E +165 S 0.557 E +166 A 0.548 E 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