| Chain sequence(s) |
A: GPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSREEMTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSL
B: GPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSREEMTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSL E: RGVTVRMETPEAILFSPGETFSTNVSIHAIAHDDQTYSMDVVWLRFDVPTSCAEMRIYESCLYHPQLPECLSPADAPCAASTWTSRLAVRSYAGCSRTNPPPRCSAEAHMEPVPGLAWQAASVNLEFRDASPQHSGLYLCVVYVNDHIHAWGHITISTAAQYRNAVVEQPL F: RGVTVRMETPEAILFSPGETFSTNVSIHAIAHDDQTYSMDVVWLRFDVPTSCAEMRIYESCLYHPQLPECLSPADAPCAASTWTSRLAVRSYAGCSRTNPPPRCSAEAHMEPVPGLAWQAASVNLEFRDASPQHSGLYLCVVYVNDHIHAWGHITISTAAQYRNAVVEQPL input PDB |
| Selected Chain(s) | A,B,E,F |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| pH calculations | Yes |
| alphaCutter usage | No |
| Dynamic mode | No |
| Automated mutations | No |
| Downloads | Download all the data |
| Simulation log |
[INFO] Logger: Verbosity set to: 2 - [INFO] (00:00:00)
[WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow
to prevent this behavior) (00:00:00)
[INFO] runJob: Starting aggrescan3d job on: input.pdb with all chain(s) selected (00:00:00)
[INFO] runJob: Creating pdb object from: input.pdb (00:00:00)
[INFO] PDB-Info: The input structure is globular. Max score is recommended for pH analysis. (00:00:02)
[INFO] FoldX: Starting FoldX energy minimization (00:00:02)
[INFO] Analysis: Starting Aggrescan4D on folded.pdb (00:09:47)
[INFO] agg3D: Running pKa-ANI on
/STORAGE/DATA/lcbio/aggreskan/396543cb2c971e4/tmp/folded.pdb (00:09:47)
[INFO] Main: Simulation completed successfully. (00:13:05)
|
The table below lists A4D score for protein residues. Residues with A4D score > 0.0000 are marked by yellow rows.
| residue index | residue name | chain | Aggrescan4D score | mutation |
|---|---|---|---|---|
| 237 | G | A | -0.9249 | |
| 238 | P | A | 0.0000 | |
| 239 | S | A | -0.1630 | |
| 240 | V | A | 0.0000 | |
| 241 | F | A | 1.2594 | |
| 242 | L | A | 0.0000 | |
| 243 | F | A | 1.2186 | |
| 244 | P | A | -0.0664 | |
| 245 | P | A | 0.0000 | |
| 246 | K | A | -2.1986 | |
| 247 | P | A | -1.6526 | |
| 248 | K | A | -1.6545 | |
| 249 | D | A | -1.5442 | |
| 250 | T | A | 0.0000 | |
| 251 | L | A | 0.0000 | |
| 252 | M | A | 0.0000 | |
| 253 | I | A | 0.0000 | |
| 254 | S | A | 0.0000 | |
| 255 | R | A | -0.8586 | |
| 256 | T | A | 0.0000 | |
| 257 | P | A | 0.0000 | |
| 258 | E | A | -0.8308 | |
| 259 | V | A | 0.0000 | |
| 260 | T | A | 0.3117 | |
| 261 | C | A | 0.0000 | |
| 262 | V | A | 0.0000 | |
| 263 | V | A | 0.0000 | |
| 264 | V | A | -0.5765 | |
| 265 | D | A | -1.8194 | |
| 266 | V | A | 0.0000 | |
| 267 | S | A | -2.1620 | |
| 268 | H | A | -2.4706 | |
| 269 | E | A | -2.9642 | |
| 270 | D | A | -2.6229 | |
| 271 | P | A | -2.6953 | |
| 272 | E | A | -2.8700 | |
| 273 | V | A | -1.7434 | |
| 274 | K | A | -2.1587 | |
| 275 | F | A | -1.0838 | |
| 276 | N | A | -1.1095 | |
| 277 | W | A | 0.0000 | |
| 278 | Y | A | -0.5262 | |
| 279 | V | A | -0.6822 | |
| 280 | D | A | -1.4081 | |
| 281 | G | A | -0.5585 | |
| 282 | V | A | 0.9017 | |
| 283 | E | A | -0.5883 | |
| 284 | V | A | -0.5114 | |
| 285 | H | A | -1.8213 | |
| 286 | N | A | -2.0954 | |
| 287 | A | A | -1.7059 | |
| 288 | K | A | -2.1236 | |
| 289 | T | A | -1.5626 | |
| 290 | K | A | -2.3130 | |
| 291 | P | A | -2.3505 | |
| 292 | R | A | -3.4883 | |
| 293 | E | A | -3.4046 | |
| 294 | E | A | -2.2119 | |
| 295 | Q | A | -1.6241 | |
| 296 | Y | A | -0.0269 | |
| 297 | N | A | -1.1530 | |
| 298 | S | A | -1.0054 | |
| 299 | T | A | 0.0000 | |
| 300 | Y | A | -2.1050 | |
| 301 | R | A | -2.4244 | |
| 302 | V | A | 0.0000 | |
| 303 | V | A | 0.0000 | |
| 304 | S | A | 0.0000 | |
| 305 | V | A | 0.0000 | |
| 306 | L | A | 0.0000 | |
| 307 | T | A | -0.5707 | |
| 308 | V | A | 0.0000 | |
| 309 | L | A | 0.4133 | |
| 310 | H | A | 0.0000 | |
| 311 | Q | A | -0.9557 | |
| 312 | D | A | -1.1082 | |
| 313 | W | A | 0.0000 | |
| 314 | L | A | 0.0000 | |
| 315 | N | A | -2.0513 | |
| 316 | G | A | -2.0261 | |
| 317 | K | A | -2.2109 | |
| 318 | E | A | -2.3266 | |
| 319 | Y | A | 0.0000 | |
| 320 | K | A | -1.6219 | |
| 321 | C | A | 0.0000 | |
| 322 | K | A | -1.5029 | |
| 323 | V | A | 0.0000 | |
| 324 | S | A | -1.4379 | |
| 325 | N | A | 0.0000 | |
| 326 | K | A | -2.5469 | |
| 327 | A | A | -1.4175 | |
| 328 | L | A | -0.6207 | |
| 329 | P | A | -0.5319 | |
| 330 | A | A | -0.4594 | |
| 331 | P | A | -0.9478 | |
| 332 | I | A | -0.7744 | |
| 333 | E | A | -1.9817 | |
| 334 | K | A | -1.1497 | |
| 335 | T | A | -0.9600 | |
| 336 | I | A | -0.1617 | |
| 337 | S | A | -1.0606 | |
| 338 | K | A | -1.4262 | |
| 339 | A | A | -1.2279 | |
| 340 | K | A | -2.3257 | |
| 341 | G | A | -2.0410 | |
| 342 | Q | A | -2.0516 | |
| 343 | P | A | -1.9815 | |
| 344 | R | A | -2.4808 | |
| 345 | E | A | -2.6522 | |
| 346 | P | A | 0.0000 | |
| 347 | Q | A | -0.9691 | |
| 348 | V | A | 0.0000 | |
| 349 | Y | A | 0.0000 | |
| 350 | T | A | 0.0000 | |
| 351 | L | A | 0.0000 | |
| 352 | P | A | -0.1046 | |
| 353 | P | A | 0.0000 | |
| 354 | S | A | 0.0000 | |
| 355 | R | A | -2.3996 | |
| 356 | E | A | -2.2103 | |
| 357 | E | A | 0.0000 | |
| 358 | M | A | -1.6847 | |
| 359 | T | A | -1.3851 | |
| 360 | K | A | -2.0513 | |
| 361 | N | A | -2.4657 | |
| 362 | Q | A | -2.3232 | |
| 363 | V | A | 0.0000 | |
| 364 | S | A | 0.0000 | |
| 365 | L | A | 0.0000 | |
| 366 | T | A | 0.0000 | |
| 367 | C | A | 0.0000 | |
| 368 | L | A | 0.0000 | |
| 369 | V | A | 0.0000 | |
| 370 | K | A | -0.3929 | |
| 371 | G | A | 0.0000 | |
| 372 | F | A | 0.0000 | |
| 373 | Y | A | -1.2540 | |
| 374 | P | A | 0.0000 | |
| 375 | S | A | -0.2919 | |
| 376 | D | A | -1.2889 | |
| 377 | I | A | -0.6766 | |
| 378 | A | A | -0.6751 | |
| 379 | V | A | 0.0000 | |
| 380 | E | A | -1.3657 | |
| 381 | W | A | 0.0000 | |
| 382 | E | A | -1.6376 | |
| 383 | S | A | 0.0000 | |
| 384 | N | A | -1.7782 | |
| 385 | G | A | -1.8300 | |
| 386 | Q | A | -2.2203 | |
| 387 | P | A | -1.8764 | |
| 388 | E | A | 0.0000 | |
| 389 | N | A | -2.1140 | |
| 390 | N | A | -1.7071 | |
| 391 | Y | A | -1.0783 | |
| 392 | K | A | -0.7712 | |
| 393 | T | A | -0.2589 | |
| 394 | T | A | 0.0000 | |
| 395 | P | A | -0.0502 | |
| 396 | P | A | 0.1888 | |
| 397 | V | A | 0.7689 | |
| 398 | L | A | 1.1141 | |
| 399 | D | A | -0.2183 | |
| 400 | S | A | -1.0559 | |
| 401 | D | A | -1.8995 | |
| 402 | G | A | -1.0420 | |
| 403 | S | A | 0.0000 | |
| 404 | F | A | 0.1954 | |
| 405 | F | A | 0.0000 | |
| 406 | L | A | 0.0000 | |
| 407 | Y | A | 0.0000 | |
| 408 | S | A | 0.0000 | |
| 409 | K | A | 0.0000 | |
| 410 | L | A | 0.0000 | |
| 411 | T | A | -0.9480 | |
| 412 | V | A | 0.0000 | |
| 413 | D | A | -2.6281 | |
| 414 | K | A | -2.6186 | |
| 415 | S | A | -2.2158 | |
| 416 | R | A | -2.0463 | |
| 417 | W | A | 0.0000 | |
| 418 | Q | A | -2.0826 | |
| 419 | Q | A | -1.8959 | |
| 420 | G | A | -0.6919 | |
| 421 | N | A | -0.4024 | |
| 422 | V | A | 0.8199 | |
| 423 | F | A | 0.0000 | |
| 424 | S | A | -0.5966 | |
| 425 | C | A | 0.0000 | |
| 426 | S | A | 0.0000 | |
| 427 | V | A | 0.0000 | |
| 428 | M | A | 0.0000 | |
| 429 | H | A | 0.0000 | |
| 430 | E | A | -1.0721 | |
| 431 | A | A | -1.6387 | |
| 432 | L | A | 0.0000 | |
| 433 | H | A | -1.9329 | |
| 434 | N | A | -1.0274 | |
| 435 | H | A | 0.0000 | |
| 436 | Y | A | -0.2609 | |
| 437 | T | A | -0.4940 | |
| 438 | Q | A | -0.9138 | |
| 439 | K | A | -0.8063 | |
| 440 | S | A | -0.2985 | |
| 441 | L | A | 0.0000 | |
| 442 | S | A | 0.6625 | |
| 443 | L | A | 1.1065 | |
| 220 | R | F | -2.6995 | |
| 221 | G | F | -1.8324 | |
| 222 | V | F | -1.1883 | |
| 223 | T | F | -0.8453 | |
| 224 | V | F | 0.0000 | |
| 225 | R | F | -2.2362 | |
| 226 | M | F | -1.6889 | |
| 227 | E | F | -2.6086 | |
| 228 | T | F | -1.7777 | |
| 229 | P | F | -1.6364 | |
| 230 | E | F | -2.2457 | |
| 231 | A | F | -0.6340 | |
| 232 | I | F | 0.4234 | |
| 233 | L | F | 1.3741 | |
| 234 | F | F | 0.0000 | |
| 235 | S | F | -0.7901 | |
| 236 | P | F | -1.6721 | |
| 237 | G | F | -2.2586 | |
| 238 | E | F | -2.4795 | |
| 239 | T | F | -1.7511 | |
| 240 | F | F | -0.7718 | |
| 241 | S | F | -0.4748 | |
| 242 | T | F | 0.0000 | |
| 243 | N | F | -1.6009 | |
| 244 | V | F | 0.0000 | |
| 245 | S | F | -1.3521 | |
| 246 | I | F | 0.0000 | |
| 247 | H | F | -0.9145 | |
| 248 | A | F | 0.0000 | |
| 249 | I | F | -0.6603 | |
| 250 | A | F | 0.0000 | |
| 251 | H | F | -2.5588 | |
| 252 | D | F | -2.8141 | |
| 253 | D | F | -3.3423 | |
| 254 | Q | F | -2.7616 | |
| 255 | T | F | -1.5970 | |
| 256 | Y | F | 0.0000 | |
| 257 | S | F | -1.0564 | |
| 258 | M | F | 0.0000 | |
| 259 | D | F | -1.1908 | |
| 260 | V | F | 0.0000 | |
| 261 | V | F | 0.0000 | |
| 262 | W | F | 0.0000 | |
| 263 | L | F | 0.0000 | |
| 264 | R | F | -1.4280 | |
| 265 | F | F | 0.0000 | |
| 266 | D | F | -2.0157 | |
| 267 | V | F | -1.1345 | |
| 268 | P | F | -0.7144 | |
| 269 | T | F | -0.5069 | |
| 270 | S | F | -0.3615 | |
| 271 | C | F | 0.0000 | |
| 272 | A | F | -0.6067 | |
| 273 | E | F | -1.0750 | |
| 274 | M | F | 0.0000 | |
| 275 | R | F | -0.9493 | |
| 276 | I | F | 0.0000 | |
| 277 | Y | F | -0.7592 | |
| 278 | E | F | -0.8386 | |
| 279 | S | F | -0.5268 | |
| 280 | C | F | 0.0000 | |
| 281 | L | F | 0.0000 | |
| 282 | Y | F | 0.5849 | |
| 283 | H | F | -0.4433 | |
| 284 | P | F | -0.3782 | |
| 285 | Q | F | -0.8717 | |
| 286 | L | F | -0.3186 | |
| 287 | P | F | -0.7660 | |
| 288 | E | F | -1.6145 | |
| 289 | C | F | 0.0000 | |
| 290 | L | F | 0.5165 | |
| 291 | S | F | -0.2859 | |
| 292 | P | F | -0.4264 | |
| 293 | A | F | -0.4304 | |
| 294 | D | F | -0.5891 | |
| 295 | A | F | -0.2000 | |
| 296 | P | F | -0.6584 | |
| 297 | C | F | -0.7480 | |
| 298 | A | F | -0.6124 | |
| 299 | A | F | 0.0000 | |
| 300 | S | F | 0.0000 | |
| 301 | T | F | 0.1517 | |
| 302 | W | F | -0.2285 | |
| 303 | T | F | -0.4832 | |
| 304 | S | F | -1.2959 | |
| 305 | R | F | -2.2341 | |
| 306 | L | F | 0.0000 | |
| 307 | A | F | 0.0000 | |
| 308 | V | F | 0.0000 | |
| 309 | R | F | -1.0555 | |
| 310 | S | F | -1.0686 | |
| 311 | Y | F | 0.0000 | |
| 312 | A | F | -0.6929 | |
| 313 | G | F | -0.6523 | |
| 314 | C | F | 0.0000 | |
| 315 | S | F | -1.7549 | |
| 316 | R | F | -2.1900 | |
| 317 | T | F | -1.4162 | |
| 318 | N | F | -1.2060 | |
| 319 | P | F | 0.0000 | |
| 320 | P | F | 0.0000 | |
| 321 | P | F | 0.0000 | |
| 322 | R | F | -0.6851 | |
| 323 | C | F | 0.0000 | |
| 324 | S | F | -0.6249 | |
| 325 | A | F | -0.9052 | |
| 326 | E | F | -2.1185 | |
| 327 | A | F | -1.4138 | |
| 328 | H | F | -1.8150 | |
| 329 | M | F | -1.1334 | |
| 330 | E | F | -1.7346 | |
| 331 | P | F | -0.8312 | |
| 332 | V | F | -0.4192 | |
| 333 | P | F | -0.8800 | |
| 334 | G | F | -1.1768 | |
| 335 | L | F | 0.0000 | |
| 336 | A | F | -0.3638 | |
| 337 | W | F | -0.1427 | |
| 338 | Q | F | -0.3780 | |
| 339 | A | F | -0.4347 | |
| 340 | A | F | -0.1055 | |
| 341 | S | F | 0.0000 | |
| 342 | V | F | 0.0000 | |
| 343 | N | F | 0.0000 | |
| 344 | L | F | 0.0000 | |
| 345 | E | F | -0.6175 | |
| 346 | F | F | 0.0000 | |
| 347 | R | F | -2.1619 | |
| 348 | D | F | -2.9658 | |
| 349 | A | F | 0.0000 | |
| 350 | S | F | -1.5930 | |
| 351 | P | F | -0.9714 | |
| 352 | Q | F | -1.5284 | |
| 353 | H | F | 0.0000 | |
| 354 | S | F | -0.6252 | |
| 355 | G | F | 0.0000 | |
| 356 | L | F | 0.0000 | |
| 357 | Y | F | 0.0000 | |
| 358 | L | F | 0.0000 | |
| 359 | C | F | 0.0000 | |
| 360 | V | F | 0.0000 | |
| 361 | V | F | 0.0000 | |
| 362 | Y | F | -1.2070 | |
| 363 | V | F | 0.0000 | |
| 364 | N | F | -2.2852 | |
| 365 | D | F | -2.8174 | |
| 366 | H | F | -1.9353 | |
| 367 | I | F | -0.6676 | |
| 368 | H | F | -0.9308 | |
| 369 | A | F | -0.8093 | |
| 370 | W | F | -0.4201 | |
| 371 | G | F | -0.8791 | |
| 372 | H | F | -0.8347 | |
| 373 | I | F | 0.0000 | |
| 374 | T | F | 0.0000 | |
| 375 | I | F | 0.0000 | |
| 376 | S | F | 0.0000 | |
| 377 | T | F | 0.0000 | |
| 378 | A | F | 0.3100 | |
| 379 | A | F | 0.0055 | |
| 380 | Q | F | -0.1963 | |
| 381 | Y | F | -0.1290 | |
| 382 | R | F | -0.9974 | |
| 383 | N | F | -1.6434 | |
| 384 | A | F | -0.9073 | |
| 385 | V | F | -0.1618 | |
| 386 | V | F | -0.3579 | |
| 387 | E | F | -1.2628 | |
| 388 | Q | F | -1.4019 | |
| 389 | P | F | -0.3197 | |
| 390 | L | F | 1.0335 | |
| 237 | G | B | -1.0062 | |
| 238 | P | B | 0.0000 | |
| 239 | S | B | -0.2508 | |
| 240 | V | B | 0.0000 | |
| 241 | F | B | 1.1583 | |
| 242 | L | B | 0.0000 | |
| 243 | F | B | 1.2678 | |
| 244 | P | B | -0.0231 | |
| 245 | P | B | 0.0000 | |
| 246 | K | B | -2.0296 | |
| 247 | P | B | -1.4314 | |
| 248 | K | B | -1.3646 | |
| 249 | D | B | -1.4117 | |
| 250 | T | B | 0.0000 | |
| 251 | L | B | 0.0000 | |
| 252 | M | B | 0.0000 | |
| 253 | I | B | 0.0000 | |
| 254 | S | B | 0.0000 | |
| 255 | R | B | -1.2612 | |
| 256 | T | B | -0.8304 | |
| 257 | P | B | 0.0000 | |
| 258 | E | B | -0.9181 | |
| 259 | V | B | 0.0000 | |
| 260 | T | B | 0.3031 | |
| 261 | C | B | 0.0000 | |
| 262 | V | B | 0.0000 | |
| 263 | V | B | 0.0000 | |
| 264 | V | B | -0.6692 | |
| 265 | D | B | -2.1162 | |
| 266 | V | B | 0.0000 | |
| 267 | S | B | -2.0611 | |
| 268 | H | B | -2.1539 | |
| 269 | E | B | -2.7594 | |
| 270 | D | B | -2.4363 | |
| 271 | P | B | -2.6188 | |
| 272 | E | B | -2.8549 | |
| 273 | V | B | -1.7426 | |
| 274 | K | B | -2.1823 | |
| 275 | F | B | -1.1275 | |
| 276 | N | B | -1.2802 | |
| 277 | W | B | 0.0000 | |
| 278 | Y | B | -0.8374 | |
| 279 | V | B | -0.7875 | |
| 280 | D | B | -1.4659 | |
| 281 | G | B | -0.7246 | |
| 282 | V | B | 0.5354 | |
| 283 | E | B | -1.3307 | |
| 284 | V | B | -0.7935 | |
| 285 | H | B | -1.9889 | |
| 286 | N | B | -2.2161 | |
| 287 | A | B | -1.8389 | |
| 288 | K | B | -2.4221 | |
| 289 | T | B | -1.7367 | |
| 290 | K | B | -2.4468 | |
| 291 | P | B | -2.4070 | |
| 292 | R | B | -3.4499 | |
| 293 | E | B | -3.3237 | |
| 294 | E | B | -2.0864 | |
| 295 | Q | B | -1.5060 | |
| 296 | Y | B | 0.0359 | |
| 297 | N | B | -1.1711 | |
| 298 | S | B | -0.9865 | |
| 299 | T | B | -1.6911 | |
| 300 | Y | B | -2.0583 | |
| 301 | R | B | -2.2886 | |
| 302 | V | B | 0.0000 | |
| 303 | V | B | 0.0000 | |
| 304 | S | B | 0.0000 | |
| 305 | V | B | 0.0000 | |
| 306 | L | B | 0.0000 | |
| 307 | T | B | -0.7098 | |
| 308 | V | B | 0.0000 | |
| 309 | L | B | -0.0169 | |
| 310 | H | B | 0.0000 | |
| 311 | Q | B | -1.0330 | |
| 312 | D | B | -1.1259 | |
| 313 | W | B | 0.0000 | |
| 314 | L | B | 0.0000 | |
| 315 | N | B | -2.0223 | |
| 316 | G | B | -1.8979 | |
| 317 | K | B | -1.9312 | |
| 318 | E | B | -2.0964 | |
| 319 | Y | B | 0.0000 | |
| 320 | K | B | -1.6796 | |
| 321 | C | B | 0.0000 | |
| 322 | K | B | -1.5204 | |
| 323 | V | B | 0.0000 | |
| 324 | S | B | -1.4116 | |
| 325 | N | B | 0.0000 | |
| 326 | K | B | -2.5219 | |
| 327 | A | B | -1.3836 | |
| 328 | L | B | -0.5397 | |
| 329 | P | B | -0.5014 | |
| 330 | A | B | -0.4013 | |
| 331 | P | B | -0.8559 | |
| 332 | I | B | -0.6767 | |
| 333 | E | B | -2.0501 | |
| 334 | K | B | -1.1777 | |
| 335 | T | B | -0.9340 | |
| 336 | I | B | -0.0993 | |
| 337 | S | B | -0.9522 | |
| 338 | K | B | -1.3355 | |
| 339 | A | B | -1.2134 | |
| 340 | K | B | -2.3037 | |
| 341 | G | B | -1.9718 | |
| 342 | Q | B | -1.9875 | |
| 343 | P | B | -1.8688 | |
| 344 | R | B | -2.2820 | |
| 345 | E | B | -2.5183 | |
| 346 | P | B | 0.0000 | |
| 347 | Q | B | -0.9540 | |
| 348 | V | B | 0.0000 | |
| 349 | Y | B | 0.0000 | |
| 350 | T | B | -0.5923 | |
| 351 | L | B | 0.0000 | |
| 352 | P | B | -0.2194 | |
| 353 | P | B | -0.7233 | |
| 354 | S | B | 0.0000 | |
| 355 | R | B | -2.1427 | |
| 356 | E | B | -1.7286 | |
| 357 | E | B | 0.0000 | |
| 358 | M | B | -1.4492 | |
| 359 | T | B | -1.3435 | |
| 360 | K | B | -2.0996 | |
| 361 | N | B | -2.4560 | |
| 362 | Q | B | -2.2223 | |
| 363 | V | B | 0.0000 | |
| 364 | S | B | 0.0000 | |
| 365 | L | B | 0.0000 | |
| 366 | T | B | 0.0000 | |
| 367 | C | B | 0.0000 | |
| 368 | L | B | 0.0000 | |
| 369 | V | B | 0.0000 | |
| 370 | K | B | -0.3797 | |
| 371 | G | B | 0.0000 | |
| 372 | F | B | 0.0000 | |
| 373 | Y | B | -1.1658 | |
| 374 | P | B | 0.0000 | |
| 375 | S | B | -0.2301 | |
| 376 | D | B | -1.1697 | |
| 377 | I | B | -0.5278 | |
| 378 | A | B | -0.4657 | |
| 379 | V | B | -0.3051 | |
| 380 | E | B | -1.2202 | |
| 381 | W | B | 0.0000 | |
| 382 | E | B | -1.7262 | |
| 383 | S | B | 0.0000 | |
| 384 | N | B | -1.8435 | |
| 385 | G | B | -1.7403 | |
| 386 | Q | B | -2.2701 | |
| 387 | P | B | -1.9354 | |
| 388 | E | B | -1.8355 | |
| 389 | N | B | -2.0821 | |
| 390 | N | B | -1.5225 | |
| 391 | Y | B | -0.9362 | |
| 392 | K | B | -0.6262 | |
| 393 | T | B | -0.1835 | |
| 394 | T | B | 0.0000 | |
| 395 | P | B | -0.0621 | |
| 396 | P | B | 0.1793 | |
| 397 | V | B | 0.7086 | |
| 398 | L | B | 1.0469 | |
| 399 | D | B | -0.3163 | |
| 400 | S | B | -1.1372 | |
| 401 | D | B | -1.9236 | |
| 402 | G | B | -1.0645 | |
| 403 | S | B | 0.0000 | |
| 404 | F | B | 0.1785 | |
| 405 | F | B | 0.0000 | |
| 406 | L | B | 0.0000 | |
| 407 | Y | B | 0.0000 | |
| 408 | S | B | 0.0000 | |
| 409 | K | B | 0.0000 | |
| 410 | L | B | 0.0000 | |
| 411 | T | B | -0.8416 | |
| 412 | V | B | 0.0000 | |
| 413 | D | B | -2.5196 | |
| 414 | K | B | -2.6633 | |
| 415 | S | B | -2.2859 | |
| 416 | R | B | -2.1480 | |
| 417 | W | B | 0.0000 | |
| 418 | Q | B | -2.2570 | |
| 419 | Q | B | -2.0174 | |
| 420 | G | B | -0.7844 | |
| 421 | N | B | -0.6421 | |
| 422 | V | B | 0.4411 | |
| 423 | F | B | 0.0000 | |
| 424 | S | B | 0.0000 | |
| 425 | C | B | 0.0000 | |
| 426 | S | B | 0.0000 | |
| 427 | V | B | 0.0000 | |
| 428 | M | B | 0.0000 | |
| 429 | H | B | 0.0000 | |
| 430 | E | B | -0.9667 | |
| 431 | A | B | -1.3966 | |
| 432 | L | B | -1.1733 | |
| 433 | H | B | -1.3895 | |
| 434 | N | B | 0.0000 | |
| 435 | H | B | 0.0000 | |
| 436 | Y | B | -0.1841 | |
| 437 | T | B | -0.4691 | |
| 438 | Q | B | -0.9899 | |
| 439 | K | B | -0.8238 | |
| 440 | S | B | -0.3766 | |
| 441 | L | B | 0.0000 | |
| 442 | S | B | 0.4274 | |
| 443 | L | B | 1.1673 | |
| 220 | R | E | -2.5705 | |
| 221 | G | E | -1.6981 | |
| 222 | V | E | -0.9823 | |
| 223 | T | E | -0.7214 | |
| 224 | V | E | 0.0000 | |
| 225 | R | E | -2.2407 | |
| 226 | M | E | -1.7344 | |
| 227 | E | E | -2.6545 | |
| 228 | T | E | -1.7998 | |
| 229 | P | E | -1.6373 | |
| 230 | E | E | -2.2438 | |
| 231 | A | E | -0.6358 | |
| 232 | I | E | 0.4149 | |
| 233 | L | E | 1.3521 | |
| 234 | F | E | 0.0000 | |
| 235 | S | E | -0.7734 | |
| 236 | P | E | -1.6858 | |
| 237 | G | E | -2.2897 | |
| 238 | E | E | -2.5008 | |
| 239 | T | E | -1.8511 | |
| 240 | F | E | -0.8292 | |
| 241 | S | E | -0.5070 | |
| 242 | T | E | 0.0000 | |
| 243 | N | E | -1.6833 | |
| 244 | V | E | 0.0000 | |
| 245 | S | E | -1.4841 | |
| 246 | I | E | 0.0000 | |
| 247 | H | E | -0.8538 | |
| 248 | A | E | -0.4913 | |
| 249 | I | E | -0.2889 | |
| 250 | A | E | 0.0000 | |
| 251 | H | E | -2.0195 | |
| 252 | D | E | -2.4734 | |
| 253 | D | E | -3.0384 | |
| 254 | Q | E | -2.6338 | |
| 255 | T | E | -1.5546 | |
| 256 | Y | E | 0.0000 | |
| 257 | S | E | -1.0822 | |
| 258 | M | E | 0.0000 | |
| 259 | D | E | -1.1251 | |
| 260 | V | E | 0.0000 | |
| 261 | V | E | 0.0000 | |
| 262 | W | E | 0.0000 | |
| 263 | L | E | 0.0000 | |
| 264 | R | E | -1.3613 | |
| 265 | F | E | 0.0000 | |
| 266 | D | E | -2.0235 | |
| 267 | V | E | -1.1617 | |
| 268 | P | E | -0.7406 | |
| 269 | T | E | -0.5231 | |
| 270 | S | E | -0.3810 | |
| 271 | C | E | 0.0000 | |
| 272 | A | E | -0.6233 | |
| 273 | E | E | -1.0870 | |
| 274 | M | E | 0.0000 | |
| 275 | R | E | -0.8375 | |
| 276 | I | E | 0.0000 | |
| 277 | Y | E | -0.8184 | |
| 278 | E | E | -0.9047 | |
| 279 | S | E | -0.5714 | |
| 280 | C | E | 0.0000 | |
| 281 | L | E | 0.0000 | |
| 282 | Y | E | 0.6085 | |
| 283 | H | E | -0.3995 | |
| 284 | P | E | -0.3720 | |
| 285 | Q | E | -0.8771 | |
| 286 | L | E | -0.3311 | |
| 287 | P | E | -0.7845 | |
| 288 | E | E | -1.6287 | |
| 289 | C | E | 0.0000 | |
| 290 | L | E | 0.4647 | |
| 291 | S | E | -0.3128 | |
| 292 | P | E | -0.4296 | |
| 293 | A | E | -0.4462 | |
| 294 | D | E | -0.5700 | |
| 295 | A | E | -0.2075 | |
| 296 | P | E | -0.6788 | |
| 297 | C | E | 0.0000 | |
| 298 | A | E | -0.6106 | |
| 299 | A | E | 0.0000 | |
| 300 | S | E | 0.0000 | |
| 301 | T | E | 0.1383 | |
| 302 | W | E | -0.2043 | |
| 303 | T | E | -0.4424 | |
| 304 | S | E | -1.2045 | |
| 305 | R | E | -2.0429 | |
| 306 | L | E | 0.0000 | |
| 307 | A | E | 0.0000 | |
| 308 | V | E | 0.0000 | |
| 309 | R | E | -1.0089 | |
| 310 | S | E | -1.0283 | |
| 311 | Y | E | 0.0000 | |
| 312 | A | E | -0.7127 | |
| 313 | G | E | -0.6823 | |
| 314 | C | E | 0.0000 | |
| 315 | S | E | -1.5180 | |
| 316 | R | E | -1.6454 | |
| 317 | T | E | -1.2422 | |
| 318 | N | E | -1.1475 | |
| 319 | P | E | 0.0000 | |
| 320 | P | E | 0.0000 | |
| 321 | P | E | 0.0000 | |
| 322 | R | E | -0.8328 | |
| 323 | C | E | 0.0000 | |
| 324 | S | E | -0.7393 | |
| 325 | A | E | -1.0198 | |
| 326 | E | E | -2.1042 | |
| 327 | A | E | -1.3909 | |
| 328 | H | E | -1.7795 | |
| 329 | M | E | -1.0875 | |
| 330 | E | E | -1.6986 | |
| 331 | P | E | -0.8278 | |
| 332 | V | E | -0.4124 | |
| 333 | P | E | -0.9200 | |
| 334 | G | E | -1.2856 | |
| 335 | L | E | 0.0000 | |
| 336 | A | E | -0.3894 | |
| 337 | W | E | -0.1023 | |
| 338 | Q | E | -0.3266 | |
| 339 | A | E | -0.2309 | |
| 340 | A | E | -0.2822 | |
| 341 | S | E | 0.0000 | |
| 342 | V | E | 0.0000 | |
| 343 | N | E | 0.0000 | |
| 344 | L | E | 0.0000 | |
| 345 | E | E | -0.6739 | |
| 346 | F | E | 0.0000 | |
| 347 | R | E | -2.4413 | |
| 348 | D | E | -3.0900 | |
| 349 | A | E | 0.0000 | |
| 350 | S | E | -1.6251 | |
| 351 | P | E | -0.9717 | |
| 352 | Q | E | -1.5281 | |
| 353 | H | E | 0.0000 | |
| 354 | S | E | -0.6241 | |
| 355 | G | E | 0.0000 | |
| 356 | L | E | 0.0000 | |
| 357 | Y | E | 0.0000 | |
| 358 | L | E | 0.0000 | |
| 359 | C | E | 0.0000 | |
| 360 | V | E | 0.0000 | |
| 361 | V | E | 0.0000 | |
| 362 | Y | E | -1.2231 | |
| 363 | V | E | 0.0000 | |
| 364 | N | E | -2.3926 | |
| 365 | D | E | -2.8647 | |
| 366 | H | E | -1.9672 | |
| 367 | I | E | -0.6814 | |
| 368 | H | E | -0.9519 | |
| 369 | A | E | -0.8207 | |
| 370 | W | E | -0.4296 | |
| 371 | G | E | -0.8860 | |
| 372 | H | E | -0.8278 | |
| 373 | I | E | 0.0000 | |
| 374 | T | E | 0.0000 | |
| 375 | I | E | 0.0000 | |
| 376 | S | E | 0.0000 | |
| 377 | T | E | 0.0000 | |
| 378 | A | E | 0.3057 | |
| 379 | A | E | 0.0026 | |
| 380 | Q | E | -0.2024 | |
| 381 | Y | E | -0.1366 | |
| 382 | R | E | -1.0201 | |
| 383 | N | E | -1.6207 | |
| 384 | A | E | -0.8878 | |
| 385 | V | E | -0.1413 | |
| 386 | V | E | -0.4426 | |
| 387 | E | E | -1.5457 | |
| 388 | Q | E | -1.5470 | |
| 389 | P | E | -0.3938 | |
| 390 | L | E | 0.9952 |
Calculations for various pH values
This page contains details and comparisons for all models calculated at different pH points.
Please find suggestions on interpreting the results below. More details can be found in the Tutorial.
The input structure is globular. Max score is recommended for pH analysis.
pH |
Average A4D Score |
Max A4D Score |
|||
| 4.0 | -0.5342 | 3.6843 | View | CSV | PDB |
| 4.5 | -0.598 | 3.67 | View | CSV | PDB |
| 5.0 | -0.676 | 3.6599 | View | CSV | PDB |
| 5.5 | -0.753 | 3.6654 | View | CSV | PDB |
| 6.0 | -0.8142 | 3.6928 | View | CSV | PDB |
| 6.5 | -0.8504 | 3.7415 | View | CSV | PDB |
| 7.0 | -0.8633 | 3.8068 | View | CSV | PDB |
| 7.5 | -0.8628 | 3.8813 | View | CSV | PDB |
| 8.0 | -0.8563 | 3.9596 | View | CSV | PDB |
| 8.5 | -0.8448 | 4.0383 | View | CSV | PDB |
| 9.0 | -0.827 | 4.1147 | View | CSV | PDB |
ALA alanine
ARG arginine
ASN asparagine
ASP aspartic acid
CYS cysteine
GLN glutamine
GLU glutamic acid
GLY glycine
HIS histidine
ILE isoleucine
LEU leucine
LYS lysine
MET methionine
PHE phenylalanine
PRO proline
SER serine
THR threonine
TRP tryptophan
TYR tyrosine
VAL valine