A0A077Z617_TRITR Loading...

Cleavage and polyadenylation specificity factor

AlphaFold DB , UniProt , Accession A0A077Z617, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,441 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M83.5Confident92.9Very high29 Ų2919.9 Ų19.914%0.1439%0.089CC..  0140.80-171.3178.3-131.300107.2V1260 D1262 H1265 S1267 M1281 P1348M1-V1260 HydrophobicContact CE-CB 4.19Å; M1-V1260 HydrophobicContact CE-CG1 3.68Å; M1-V1260 HydrophobicContact SD-CB 3.86Å; M1-V1260 HydrophobicContact SD-CG1 3.53Å; M1-V1260 VanDerWaalsContact SD-CG1 3.53Å; M1-D1262 HydrophobicContact CE-CB 3.45Å; M1-D1262 VanDerWaalsContact CE-CB 3.45Å; M1-H1265 HydrophobicContact CE-CB 4.44Å; M1-S1267 WeakPolarHBondContact SD-CB 3.07Å; M1-S1267 PolarHBondContact SD-OG 3.36Å; M1-M1281 HydrophobicContact CB-SD 3.76Å; M1-M1281 PolarHBondContact N-SD 2.87Å; M1-M1281 VanDerWaalsContact N-SD 3.41Å; M1-P1348 HydrophobicContact CE-CB 3.77Å; M1-P1348 HydrophobicContact CE-CG 4.39Å; M1-P1348 HydrophobicContact CG-CB 4.43Å; M1-P1348 HydrophobicContact SD-CB 4.26Å
2Y94.6Very high93.1Very high60 Ų6019.1 Ų19.124%0.2359%0.087CC..EExtended strand (participates in β ladder)trans-108.8146.1176.4-60.7-69.1000108.9P1348 L1349 E1351 Y1354 N1395Y2-P1348 CarbonylContact O-C 3.56Å; Y2-P1348 WeakPolarHBondContact O-CA 3.36Å; Y2-L1349 PolarHBondContact O-N 3.46Å; Y2-E1351 HydrophobicContact CD2-CB 3.83Å; Y2-E1351 HydrophobicContact CD2-CG 4.16Å; Y2-E1351 HydrophobicContact CE2-CB 3.59Å; Y2-E1351 HydrophobicContact CE2-CG 3.48Å; Y2-E1351 VanDerWaalsContact CE2-CG 3.48Å; Y2-Y1354 AromaticContact CD1-CD1 3.21Å; Y2-Y1354 HydrophobicContact CD1-CD1 3.21Å; Y2-Y1354 AromaticContact CD1-CD2 3.84Å; Y2-Y1354 HydrophobicContact CD1-CD2 3.84Å; Y2-Y1354 AromaticContact CD1-CE1 3.34Å; Y2-Y1354 HydrophobicContact CD1-CE1 3.34Å; Y2-Y1354 AromaticContact CD1-CE2 3.92Å; Y2-Y1354 HydrophobicContact CD1-CE2 3.92Å; Y2-Y1354 AromaticContact CD1-CG 3.5Å; Y2-Y1354 HydrophobicContact CD1-CG 3.5Å; Y2-Y1354 AromaticContact CD1-CZ 3.73Å; Y2-Y1354 HydrophobicContact CD2-CD1 4.36Å; Y2-Y1354 HydrophobicContact CD2-CG 4.39Å; Y2-Y1354 AromaticContact CE1-CD1 3.58Å; Y2-Y1354 HydrophobicContact CE1-CD1 3.58Å; Y2-Y1354 AromaticContact CE1-CE1 3.54Å; Y2-Y1354 HydrophobicContact CE1-CE1 3.54Å; Y2-Y1354 HydrophobicContact CE1-CG 4.32Å; Y2-Y1354 AromaticContact CG-CD1 3.65Å; Y2-Y1354 HydrophobicContact CG-CD1 3.65Å; Y2-Y1354 AromaticContact CG-CD2 3.99Å; Y2-Y1354 HydrophobicContact CG-CD2 3.99Å; Y2-Y1354 HydrophobicContact CG-CE1 4.23Å; Y2-Y1354 AromaticContact CG-CG 3.53Å; Y2-Y1354 HydrophobicContact CG-CG 3.53Å; Y2-N1395 HydrophobicContact CD1-CB 4.06Å; Y2-N1395 HydrophobicContact CE1-CB 4.47Å
3S96.3Very high93.3Very high0 Ų017.9 Ų17.90%08%0.083CC..EExtended strand (participates in β ladder)trans-145.5166.4-178.2-58.50000112.2F1346 L1347 N1395 I1396 L1397S3-F1346 WeakPolarHBondContact OG-CE1 3.42Å; S3-F1346 WeakPolarHBondContact OG-CZ 3.17Å; S3-L1347 CarbonylContact C-O 3.56Å; S3-L1347 VanDerWaalsContact CA-O 3.28Å; S3-L1347 WeakPolarHBondContact CA-O 3.48Å; S3-L1347 WeakPolarHBondContact CB-O 3.41Å; S3-N1395 PolarHBondContact N-O 3.24Å; S3-N1395 VanDerWaalsContact N-O 3.07Å; S3-I1396 WeakPolarHBondContact O-CA 3.45Å; S3-L1397 PolarHBondContact O-N 3.03Å
4V96.5Very high93.5Very high8 Ų817 Ų175%0.0488%0.079CC..EExtended strand (participates in β ladder)trans-123.8135.4166.959.70000109.1L1347 L1349 L1397 L1402 L1434V4-L1347 HydrophobicContact CG1-CB 4Å; V4-L1347 PolarHBondContact N-O 2.63Å; V4-L1347 PolarHBondContact O-N 2.81Å; V4-L1349 HydrophobicContact CB-CD1 3.9Å; V4-L1349 HydrophobicContact CB-CG 4.32Å; V4-L1349 HydrophobicContact CG1-CD1 4.08Å; V4-L1349 HydrophobicContact CG1-CD2 3.89Å; V4-L1349 HydrophobicContact CG1-CG 4.06Å; V4-L1397 HydrophobicContact CB-CB 4.29Å; V4-L1397 HydrophobicContact CG2-CB 4.17Å; V4-L1402 HydrophobicContact CG2-CD1 4.24Å; V4-L1434 HydrophobicContact CG1-CD1 4.34Å; V4-L1434 HydrophobicContact CG1-CD2 4.27Å
5Y96.4Very high93.6Very high1 Ų117.3 Ų17.30%0.0048%0.082CC..EExtended strand (participates in β ladder)trans-105.4132.8171.6166.7-90.4000108.8L1277 M1301 V1303 N1344 S1345 L1397 G1399Y5-L1277 HydrophobicContact CD2-CD1 3.99Å; Y5-L1277 HydrophobicContact CE2-CD1 4.36Å; Y5-M1301 HydrophobicContact CD1-CE 3.59Å; Y5-M1301 HydrophobicContact CD1-SD 4.19Å; Y5-M1301 HydrophobicContact CE1-CE 4.41Å; Y5-M1301 HydrophobicContact CG-CE 4.16Å; Y5-M1301 HydrophobicContact CG-SD 4.15Å; Y5-V1303 HydrophobicContact CD2-CG2 4.17Å; Y5-V1303 HydrophobicContact CE1-CG1 4.4Å; Y5-V1303 HydrophobicContact CE2-CB 4.45Å; Y5-V1303 HydrophobicContact CE2-CG1 3.94Å; Y5-V1303 HydrophobicContact CE2-CG2 3.73Å; Y5-V1303 WeakPolarHBondContact OH-CG1 3.24Å; Y5-N1344 HydrophobicContact CE2-CB 3.6Å; Y5-N1344 WeakPolarHBondContact OH-CB 3.3Å; Y5-N1344 PolarHBondContact OH-ND2 2.7Å; Y5-N1344 PolarHBondContact OH-OD1 3.07Å; Y5-S1345 WeakPolarHBondContact CA-O 3.39Å; Y5-L1397 PolarHBondContact N-O 3.1Å; Y5-G1399 VanDerWaalsContact O-CA 3.3Å; Y5-G1399 WeakPolarHBondContact O-CA 3.35Å; Y5-G1399 PolarHBondContact O-N 3.04Å
6R93.7Very high93.7Very high32 Ų3217.1 Ų17.112%0.1218%0.082CC..EExtended strand (participates in β ladder)trans-139.7133.5178.5179.2-176.3177.3173.76.5111N1344 S1345 F1403R6-N1344 CarbonylContact O-C 3.51Å; R6-N1344 WeakPolarHBondContact O-CA 3.36Å; R6-S1345 PolarHBondContact N-O 2.85Å; R6-S1345 PolarHBondContact O-N 3.37Å; R6-S1345 PolarHBondContact O-OG 3.06Å; R6-F1403 VanDerWaalsContact NH1-CE2 3.31Å
7Q92.7Very high93.9Very high30 Ų3016.8 Ų16.814%0.148%0.083CC..EExtended strand (participates in β ladder)trans-78.6119.4168.2-173.8179.1-51.800108.9D9 P11 N1344 N1400Q7-D9 WeakPolarHBondContact CG-O 3.5Å; Q7-P11 VanDerWaalsContact NE2-CD 3.26Å; Q7-N1344 VanDerWaalsContact CA-OD1 3.26Å; Q7-N1344 WeakPolarHBondContact CA-OD1 3.46Å; Q7-N1344 WeakPolarHBondContact CB-OD1 3.31Å; Q7-N1344 VanDerWaalsContact CG-OD1 3.27Å; Q7-N1344 WeakPolarHBondContact CG-OD1 3.43Å; Q7-N1400 VanDerWaalsContact CB-ND2 3.32Å; Q7-N1400 WeakPolarHBondContact CB-ND2 3.35Å; Q7-N1400 PolarHBondContact N-OD1 3.44Å
8I89.7Confident94Very high22 Ų2216.9 Ų16.911%0.1139%0.085CC..SBendtrans-87-44.8-179.6-65.5172.9000109.9Y1335 L1343 S1345I8-Y1335 HydrophobicContact CD1-CD1 3.78Å; I8-Y1335 HydrophobicContact CD1-CE1 3.47Å; I8-Y1335 VanDerWaalsContact CD1-CE1 3.47Å; I8-L1343 WeakPolarHBondContact CA-O 3.44Å; I8-L1343 WeakPolarHBondContact CB-O 3.24Å; I8-L1343 PolarHBondContact N-O 3.27Å; I8-S1345 VanDerWaalsContact CD1-CB 3.49Å
9D91.5Very high94.1Very high4 Ų417.8 Ų17.82%0.0219%0.087CC..SBendtrans-120.5145.2175.2-166.152.8000111.5Q7 F463 S1008 L1343Q7-D9 WeakPolarHBondContact CG-O 3.5Å; D9-F463 VanDerWaalsContact OD2-CD2 3.31Å; D9-F463 WeakPolarHBondContact OD2-CD2 3.49Å; D9-F463 WeakPolarHBondContact OD2-CE2 3.06Å; D9-S1008 WeakPolarHBondContact OD1-CB 2.94Å; D9-S1008 PolarHBondContact OD1-N 2.91Å; D9-S1008 PolarHBondContact OD1-OG 3.24Å; D9-L1343 HydrophobicContact CB-CB 4.14Å; D9-L1343 PolarHBondContact N-O 2.81Å
10E91.8Very high94.1Very high32 Ų3217 Ų1715%0.158%0.083CC..  trans-67.4151.5-175.5-64.5167.1-164.400111.9T12 R39 R960E10-T12 WeakPolarHBondContact O-CG2 3.3Å; E10-T12 PolarHBondContact O-N 2.87Å; E10-R39 IonicContact OE2-CZ 3.47Å; E10-R39 IonicContact OE2-NE 3.37Å; E10-R39 IonicContact OE2-NH2 3.56Å; E10-R39 PolarHBondContact OE2-NH2 3.35Å; E10-R960 IonicContact OE1-CZ 2.7Å; E10-R960 IonicContact OE1-NH1 3.38Å; E10-R960 PolarHBondContact OE1-NH1 2.89Å; E10-R960 IonicContact OE1-NH2 3.94Å; E10-R960 IonicContact OE2-CZ 2.75Å; E10-R960 IonicContact OE2-NH1 3.41Å; E10-R960 IonicContact OE2-NH2 2.74Å; E10-R960 PolarHBondContact OE2-NH2 3.36Å
11P95.1Very high94Very high1 Ų119.2 Ų19.21%0.0069%0.093CC..  trans-60135.516928.1-36.6000110.3Q7 A34 D1340Q7-P11 VanDerWaalsContact NE2-CD 3.26Å; P11-A34 WeakPolarHBondContact CG-O 3.17Å; P11-A34 WeakPolarHBondContact O-CB 3.17Å; P11-D1340 HydrophobicContact CB-CB 4.35Å; P11-D1340 WeakPolarHBondContact CB-OD2 3.42Å
12T94.9Very high94.4Very high10 Ų1017.9 Ų17.96%0.0619%0.086CC..  trans-116.6-14.4-17660.10000113.4E10 V14 N462 F463 D1340E10-T12 WeakPolarHBondContact O-CG2 3.3Å; E10-T12 PolarHBondContact O-N 2.87Å; T12-V14 PolarHBondContact O-N 2.67Å; T12-N462 PolarHBondContact O-OD1 2.88Å; T12-N462 WeakPolarHBondContact OG1-CA 3.34Å; T12-N462 PolarHBondContact OG1-OD1 3.08Å; T12-F463 HydrophobicContact CG2-CD2 4.24Å; T12-F463 PolarHBondContact OG1-N 3.04Å; T12-D1340 PolarHBondContact N-O 3.14Å; T12-D1340 VanDerWaalsContact N-O 3.09Å
13A95.7Very high94.1Very high4 Ų415.3 Ų15.33%0.0338%0.077CC..  trans-70108.917800000110.7A34 M392 N462 D1340A13-A34 VanDerWaalsContact O-CA 3.26Å; A13-A34 WeakPolarHBondContact O-CA 3.26Å; A13-A34 WeakPolarHBondContact O-CB 3.25Å; A13-M392 HydrophobicContact CB-CB 4.15Å; A13-M392 HydrophobicContact CB-CG 4.24Å; A13-N462 PolarHBondContact N-OD1 3.38Å; A13-D1340 HydrophobicContact CB-CB 4.05Å; A13-D1340 VanDerWaalsContact CB-O 3.31Å; A13-D1340 WeakPolarHBondContact CB-O 3.14Å; A13-D1340 PolarHBondContact N-O 3.28Å
14V96.5Very high93.4Very high5 Ų517.2 Ų17.23%0.039%0.089CC..  trans-77.6129.2-178.21730000110T12 V32 S377 V378 F388 S391 M392 S396T12-V14 PolarHBondContact O-N 2.67Å; V14-V32 HydrophobicContact CB-CG1 4.11Å; V14-V32 HydrophobicContact CG1-CG1 3.44Å; V14-V32 VanDerWaalsContact CG1-CG1 3.44Å; V14-V32 HydrophobicContact CG2-CG1 3.53Å; V14-S377 PolarHBondContact O-OG 2.94Å; V14-V378 HydrophobicContact CG1-CG1 4.15Å; V14-F388 HydrophobicContact CG1-CE1 4.2Å; V14-S391 PolarHBondContact N-O 3.48Å; V14-M392 WeakPolarHBondContact O-CG 3.37Å; V14-S396 VanDerWaalsContact CG2-OG 3.31Å; V14-S396 WeakPolarHBondContact CG2-OG 3.5Å
15N94.4Very high92.5Very high22 Ų2217.8 Ų17.812%0.1189%0.092CC..  trans-125.2-24-176.872.9-60.9000114.4A33 N35 V79 M392N15-A33 PolarHBondContact N-O 2.8Å; N15-A33 PolarHBondContact OD1-O 2.68Å; N15-N35 PolarHBondContact OD1-N 3.47Å; N15-V79 PolarHBondContact ND2-O 3.49Å; N15-M392 HydrophobicContact CB-CE 3.14Å
16C96.2Very high91.5Very high14 Ų1422.7 Ų22.710%0.09512%0.115CC..EExtended strand (participates in β ladder)trans-135.9146.4172.5-540000110.3A33 M82C16-A33 HydrophobicContact CB-CB 4.2Å; C16-A33 PolarHBondContact N-O 3.12Å; C16-A33 PolarHBondContact O-N 3.36Å; C16-M82 HydrophobicContact CB-CB 3.95Å; C16-M82 HydrophobicContact CB-CE 4.31Å
17A96.9Very high91.1Very high12 Ų1224.6 Ų24.610%0.09913%0.128CC..EExtended strand (participates in β ladder)trans-144.9140.4173.400000110.1L30 V31 V378 C380 F388A17-L30 HydrophobicContact CB-CD1 4.36Å; A17-V31 CarbonylContact C-O 3.48Å; A17-V31 VanDerWaalsContact CA-O 3.23Å; A17-V31 WeakPolarHBondContact CA-O 3.46Å; A17-V378 HydrophobicContact CB-CG1 4Å; A17-V378 HydrophobicContact CB-CG2 4.36Å; A17-C380 HydrophobicContact CB-CB 3.82Å; A17-F388 HydrophobicContact CB-CD1 3.88Å; A17-F388 HydrophobicContact CB-CE1 4.04Å
18V96Very high91Very high18 Ų1825 Ų2511%0.10913%0.134CC..EExtended strand (participates in β ladder)trans-141.9138178.5175.70000109.3C20 V31 M82 R84V18-C20 HydrophobicContact CG1-CB 4.35Å; V18-V31 PolarHBondContact N-O 2.92Å; V18-V31 PolarHBondContact O-N 2.76Å; V18-M82 HydrophobicContact CB-CG 4.42Å; V18-M82 HydrophobicContact CB-SD 4.06Å; V18-M82 HydrophobicContact CG2-CB 3.96Å; V18-M82 HydrophobicContact CG2-CG 3.68Å; V18-M82 HydrophobicContact CG2-SD 3.83Å; V18-R84 HydrophobicContact CG1-CB 3.81Å; V18-R84 HydrophobicContact CG1-CG 4.47Å
19Y95.8Very high91.2Very high34 Ų3424.2 Ų24.213%0.13313%0.13CC..EExtended strand (participates in β ladder)trans-105.1115.7174.8-164.5-114.7000110.3C28 Q29 L30 L43 K381 C382 N383Y19-C28 HydrophobicContact CD1-CB 3.94Å; Y19-C28 HydrophobicContact CE1-CB 3.35Å; Y19-C28 HydrophobicContact CE2-CB 4.05Å; Y19-C28 WeakPolarHBondContact CE2-O 3.5Å; Y19-C28 HydrophobicContact CG-CB 4.5Å; Y19-C28 WeakPolarHBondContact OH-CB 3.05Å; Y19-C28 PolarHBondContact OH-O 3.02Å; Y19-Q29 WeakPolarHBondContact CA-O 3.48Å; Y19-Q29 VanDerWaalsContact CD2-C 3.43Å; Y19-Q29 VanDerWaalsContact CD2-O 3.24Å; Y19-Q29 WeakPolarHBondContact CD2-O 3.29Å; Y19-Q29 VanDerWaalsContact CE2-C 3.49Å; Y19-L30 HydrophobicContact CD2-CB 3.97Å; Y19-L30 HydrophobicContact CE2-CB 4.36Å; Y19-L43 HydrophobicContact CE2-CD1 4.16Å; Y19-K381 WeakPolarHBondContact CB-O 3.44Å; Y19-C382 HydrophobicContact CD2-CB 4.19Å; Y19-C382 HydrophobicContact CE2-CB 4.26Å; Y19-C382 HydrophobicContact CG-CB 4.43Å; Y19-N383 HydrophobicContact CE1-CB 4.48Å; Y19-N383 VanDerWaalsContact CE1-N 3.35Å; Y19-N383 VanDerWaalsContact CE1-OD1 3.31Å; Y19-N383 WeakPolarHBondContact CE1-OD1 3.27Å; Y19-N383 PolarHBondContact OH-ND2 2.94Å; Y19-N383 PolarHBondContact OH-OD1 2.73Å
20C94.2Very high91.4Very high1 Ų124.1 Ų24.11%0.00713%0.129CC..EExtended strand (participates in β ladder)trans-156.6163.4-174.363.90000112.8V18 L22 Q29 R84 D93V18-C20 HydrophobicContact CG1-CB 4.35Å; C20-L22 PolarHBondContact O-N 3.36Å; C20-Q29 PolarHBondContact N-O 2.63Å; C20-Q29 PolarHBondContact O-N 3.03Å; C20-Q29 PolarHBondContact O-OE1 3.05Å; C20-R84 HydrophobicContact CB-CB 3.84Å; C20-D93 HydrophobicContact CB-CB 4.14Å; C20-D93 WeakPolarHBondContact CB-OD2 3.27Å
21K92.5Very high91.7Very high65 Ų6522.6 Ų22.628%0.28312%0.122SC..  trans-87.585.5178-179.3173.3167.4161.90109.5T25 V92 D93K21-T25 WeakPolarHBondContact CE-O 3.5Å; K21-T25 PolarHBondContact NZ-O 3.48Å; K21-T25 VanDerWaalsContact NZ-O 3.12Å; K21-V92 WeakPolarHBondContact O-CB 3.18Å; K21-D93 PolarHBondContact N-OD2 3.45Å; K21-D93 WeakPolarHBondContact O-CB 3.41Å; K21-D93 PolarHBondContact O-N 3.27Å
22L90.3Very high91.8Very high0 Ų022.9 Ų22.90%012%0.124CC..  trans-91.4-28.8-175.1-169.964000113C20 V31 V40 D93 L95 Y109 F116C20-L22 PolarHBondContact O-N 3.36Å; L22-V31 HydrophobicContact CD2-CG2 3.81Å; L22-V40 HydrophobicContact CD2-CG1 4.16Å; L22-V40 HydrophobicContact CD2-CG2 3.68Å; L22-D93 WeakPolarHBondContact CD1-O 3.36Å; L22-L95 HydrophobicContact CD1-CD1 3.89Å; L22-L95 HydrophobicContact CD1-CG 3.89Å; L22-L95 HydrophobicContact CD2-CD1 3.83Å; L22-Y109 VanDerWaalsContact O-CB 3.25Å; L22-Y109 WeakPolarHBondContact O-CB 3.2Å; L22-F116 HydrophobicContact CD1-CE1 4.1Å; L22-F116 HydrophobicContact CD2-CE1 3.47Å; L22-F116 VanDerWaalsContact CD2-CE1 3.47Å; L22-F116 HydrophobicContact CD2-CZ 3.52Å; L22-F116 HydrophobicContact CG-CE1 4Å
23L88.5Confident91.9Very high7 Ų722.4 Ų22.44%0.03712%0.121CC..SBendtrans-101.9154.5178.9-59.6176.6000110.2T25 Q29 V70 Y109L23-T25 HydrophobicContact CB-CG2 4.22Å; L23-T25 PolarHBondContact O-N 3.26Å; L23-Q29 HydrophobicContact CD1-CG 4.02Å; L23-Q29 HydrophobicContact CG-CG 4.29Å; L23-Q29 VanDerWaalsContact N-OE1 3.12Å; L23-V70 HydrophobicContact CD1-CB 4.09Å; L23-V70 HydrophobicContact CD1-CG1 3.65Å; L23-V70 HydrophobicContact CD1-CG2 4.49Å; L23-Y109 HydrophobicContact CD2-CD1 4.33Å; L23-Y109 HydrophobicContact CD2-CD2 3.55Å; L23-Y109 HydrophobicContact CD2-CE1 4.24Å; L23-Y109 HydrophobicContact CD2-CE2 3.45Å; L23-Y109 VanDerWaalsContact CD2-CE2 3.45Å; L23-Y109 HydrophobicContact CD2-CG 4Å
24P81.9Confident91.8Very high40 Ų4022.5 Ų22.526%0.2612%0.122SC..SBendtrans-74.356.7176.632.2-36.7000111.6V92 Y109P24-V92 HydrophobicContact CB-CG1 4.36Å; P24-Y109 VanDerWaalsContact CD-CE1 3.41Å; P24-Y109 HydrophobicContact CG-CE1 4.01Å
25T78.7Confident91.6Very high20 Ų2023.4 Ų23.412%0.12313%0.126CC..SBendtrans-119.9167.9178.958.30000110.8K21 L23 D27 Q29 Y793K21-T25 WeakPolarHBondContact CE-O 3.5Å; K21-T25 PolarHBondContact NZ-O 3.48Å; K21-T25 VanDerWaalsContact NZ-O 3.12Å; L23-T25 HydrophobicContact CB-CG2 4.22Å; L23-T25 PolarHBondContact O-N 3.26Å; T25-D27 PolarHBondContact OG1-O 3.5Å; T25-D27 VanDerWaalsContact OG1-O 3.05Å; T25-Q29 PolarHBondContact OG1-NE2 3.25Å; T25-Y793 HydrophobicContact CG2-CD2 4.41Å
26Q75.5Confident91.5Very high104 Ų10423.3 Ų23.349%0.48613%0.127SC..SBendtrans-70.6-40.5175.9-70.3-178.2-5.600112.1
27D83.3Confident91.4Very high72 Ų7222.7 Ų22.739%0.38512%0.123SC..SBendtrans-83.2154.5-178.7-60.4-50.4000112.6T25 Q29T25-D27 PolarHBondContact OG1-O 3.5Å; T25-D27 VanDerWaalsContact OG1-O 3.05Å; D27-Q29 PolarHBondContact O-NE2 3.47Å
28C91.1Very high91.4Very high39 Ų3922.1 Ų22.126%0.26412%0.118SC..  trans-80.1155.1168.1-690000111.4Y19Y19-C28 HydrophobicContact CD1-CB 3.94Å; Y19-C28 HydrophobicContact CE1-CB 3.35Å; Y19-C28 HydrophobicContact CE2-CB 4.05Å; Y19-C28 WeakPolarHBondContact CE2-O 3.5Å; Y19-C28 HydrophobicContact CG-CB 4.5Å; Y19-C28 WeakPolarHBondContact OH-CB 3.05Å; Y19-C28 PolarHBondContact OH-O 3.02Å
29Q94.3Very high91.4Very high5 Ų522.6 Ų22.62%0.02312%0.118CC..EExtended strand (participates in β ladder)trans-110148.6177.9-6672.747.500111Y19 C20 L23 T25 D27 V40 Y41Y19-Q29 WeakPolarHBondContact CA-O 3.48Å; Y19-Q29 VanDerWaalsContact CD2-C 3.43Å; Y19-Q29 VanDerWaalsContact CD2-O 3.24Å; Y19-Q29 WeakPolarHBondContact CD2-O 3.29Å; Y19-Q29 VanDerWaalsContact CE2-C 3.49Å; C20-Q29 PolarHBondContact N-O 2.63Å; C20-Q29 PolarHBondContact O-N 3.03Å; C20-Q29 PolarHBondContact O-OE1 3.05Å; L23-Q29 HydrophobicContact CD1-CG 4.02Å; L23-Q29 HydrophobicContact CG-CG 4.29Å; L23-Q29 VanDerWaalsContact N-OE1 3.12Å; T25-Q29 PolarHBondContact OG1-NE2 3.25Å; D27-Q29 PolarHBondContact O-NE2 3.47Å; Q29-V40 HydrophobicContact CB-CG1 3.54Å; Q29-V40 HydrophobicContact CG-CG1 3.74Å; Q29-Y41 CarbonylContact C-O 3.51Å; Q29-Y41 VanDerWaalsContact CA-O 3.3Å; Q29-Y41 WeakPolarHBondContact CA-O 3.28Å; Q29-Y41 WeakPolarHBondContact CB-O 3.41Å
30L96.3Very high91.3Very high1 Ų121 Ų211%0.00511%0.112CC..EExtended strand (participates in β ladder)trans-88113.6167.2174.867.9000108.9A17 Y19 V32 Y41 L67 C380 F388A17-L30 HydrophobicContact CB-CD1 4.36Å; Y19-L30 HydrophobicContact CD2-CB 3.97Å; Y19-L30 HydrophobicContact CE2-CB 4.36Å; L30-V32 HydrophobicContact CD1-CG2 4.41Å; L30-V32 HydrophobicContact CD2-CG2 4.05Å; L30-V32 HydrophobicContact CG-CG2 3.85Å; L30-Y41 PolarHBondContact N-O 3.13Å; L30-Y41 PolarHBondContact O-N 3.47Å; L30-L67 HydrophobicContact CD2-CD2 4.06Å; L30-C380 HydrophobicContact CD1-CB 4.49Å; L30-F388 HydrophobicContact CD1-CB 4.19Å; L30-F388 HydrophobicContact CD1-CD1 4.16Å; L30-F388 HydrophobicContact CD1-CG 4.26Å; L30-F388 HydrophobicContact CD2-CB 3.92Å; L30-F388 HydrophobicContact CD2-CD1 4Å; L30-F388 HydrophobicContact CD2-CD2 3.64Å; L30-F388 HydrophobicContact CD2-CE1 4.41Å; L30-F388 HydrophobicContact CD2-CE2 4.09Å; L30-F388 HydrophobicContact CD2-CG 3.58Å; L30-F388 HydrophobicContact CD2-CZ 4.45Å
31V97.1Very high91.3Very high0 Ų021.1 Ų21.10%011%0.112CC..EExtended strand (participates in β ladder)trans-96.3127174.6-172.40000108.7A17 V18 L22 L38 R39 V40 M82 L95A17-V31 CarbonylContact C-O 3.48Å; A17-V31 VanDerWaalsContact CA-O 3.23Å; A17-V31 WeakPolarHBondContact CA-O 3.46Å; V18-V31 PolarHBondContact N-O 2.92Å; V18-V31 PolarHBondContact O-N 2.76Å; L22-V31 HydrophobicContact CD2-CG2 3.81Å; V31-L38 HydrophobicContact CG1-CD1 3.57Å; V31-L38 HydrophobicContact CG1-CG 4.22Å; V31-R39 CarbonylContact C-O 3.54Å; V31-R39 WeakPolarHBondContact CA-O 3.43Å; V31-V40 HydrophobicContact CG2-CG1 4.5Å; V31-V40 HydrophobicContact CG2-CG2 4.45Å; V31-M82 HydrophobicContact CB-SD 4.2Å; V31-M82 HydrophobicContact CG1-CE 4.23Å; V31-M82 HydrophobicContact CG1-SD 3.75Å; V31-L95 HydrophobicContact CG1-CD1 3.87Å; V31-L95 HydrophobicContact CG2-CD1 4.21Å
32V96.9Very high91.2Very high8 Ų819.1 Ų19.15%0.04810%0.103CC..EExtended strand (participates in β ladder)trans-123.3129.2-177.6-177.30000109.2V14 L30 R39 Y41 F388V14-V32 HydrophobicContact CB-CG1 4.11Å; V14-V32 HydrophobicContact CG1-CG1 3.44Å; V14-V32 VanDerWaalsContact CG1-CG1 3.44Å; V14-V32 HydrophobicContact CG2-CG1 3.53Å; L30-V32 HydrophobicContact CD1-CG2 4.41Å; L30-V32 HydrophobicContact CD2-CG2 4.05Å; L30-V32 HydrophobicContact CG-CG2 3.85Å; V32-R39 PolarHBondContact N-O 3.46Å; V32-R39 PolarHBondContact O-N 3.44Å; V32-Y41 HydrophobicContact CB-CD2 4.43Å; V32-Y41 HydrophobicContact CB-CE2 4.23Å; V32-Y41 HydrophobicContact CG2-CD2 3.93Å; V32-Y41 HydrophobicContact CG2-CE2 4.09Å; V32-F388 HydrophobicContact CG1-CE1 4.38Å; V32-F388 HydrophobicContact CG1-CZ 4.45Å; V32-F388 HydrophobicContact CG2-CE1 3.86Å; V32-F388 HydrophobicContact CG2-CZ 3.98Å
33A96.6Very high91.1Very high0 Ų019.8 Ų19.80%011%0.106CC..EExtended strand (participates in β ladder)trans-104.2131.1166.300000110.6N15 C16 S37 L38 V79 M82N15-A33 PolarHBondContact N-O 2.8Å; N15-A33 PolarHBondContact OD1-O 2.68Å; C16-A33 HydrophobicContact CB-CB 4.2Å; C16-A33 PolarHBondContact N-O 3.12Å; C16-A33 PolarHBondContact O-N 3.36Å; A33-S37 WeakPolarHBondContact CA-O 3.38Å; A33-L38 HydrophobicContact CB-CD1 4.3Å; A33-V79 HydrophobicContact CB-CB 4.01Å; A33-V79 HydrophobicContact CB-CG1 4.05Å; A33-V79 HydrophobicContact CB-CG2 4.31Å; A33-M82 HydrophobicContact CB-CE 3.43Å; A33-M82 VanDerWaalsContact CB-CE 3.43Å
34A94.8Very high91Very high6 Ų619.8 Ų19.85%0.0511%0.106CC..EExtended strand (participates in β ladder)trans-114.785.1164.100000107.6P11 A13 S36 S37P11-A34 WeakPolarHBondContact CG-O 3.17Å; P11-A34 WeakPolarHBondContact O-CB 3.17Å; A13-A34 VanDerWaalsContact O-CA 3.26Å; A13-A34 WeakPolarHBondContact O-CA 3.26Å; A13-A34 WeakPolarHBondContact O-CB 3.25Å; A34-S36 PolarHBondContact O-N 3.33Å; A34-S37 PolarHBondContact N-O 3.28Å; A34-S37 PolarHBondContact O-N 2.69Å
35N92.5Very high90.8Very high24 Ų2424.1 Ų24.113%0.12812%0.117CC..THydrogen-bonded Turntrans51.7-94.7-173.4-70-21.1000113.6N15 N78 V79 D1340N15-N35 PolarHBondContact OD1-N 3.47Å; N35-N78 HydrophobicContact CB-CB 4.43Å; N35-V79 WeakPolarHBondContact O-CG2 3.3Å; N35-V79 PolarHBondContact O-N 2.73Å; N35-D1340 WeakPolarHBondContact ND2-CB 3.22Å; N35-D1340 PolarHBondContact ND2-OD2 2.94Å
36S92.9Very high90.5Very high19 Ų1926.6 Ų26.613%0.13313%0.125CC..THydrogen-bonded Turntrans-98.88-176.9670000113.7A34 I75A34-S36 PolarHBondContact O-N 3.33Å; S36-I75 WeakPolarHBondContact CB-O 3.37Å; S36-I75 PolarHBondContact O-N 3.34Å
37S93.9Very high90.1Very high1 Ų122.1 Ų22.11%0.00711%0.106CC..EExtended strand (participates in β ladder)trans-116.1128.7175.7178.60000110.2A33 A34A33-S37 WeakPolarHBondContact CA-O 3.38Å; A34-S37 PolarHBondContact N-O 3.28Å; A34-S37 PolarHBondContact O-N 2.69Å
38L95.6Very high89.2Confident0 Ų026 Ų260%012%0.119CC..EExtended strand (participates in β ladder)trans-114.5125.4177.2-171.667.6000109.5V31 A33 S72 E73 I75 M82 I107 F116V31-L38 HydrophobicContact CG1-CD1 3.57Å; V31-L38 HydrophobicContact CG1-CG 4.22Å; A33-L38 HydrophobicContact CB-CD1 4.3Å; L38-S72 WeakPolarHBondContact O-CA 3.5Å; L38-E73 PolarHBondContact N-O 3.1Å; L38-E73 PolarHBondContact O-N 3.16Å; L38-I75 HydrophobicContact CB-CD1 3.89Å; L38-I75 HydrophobicContact CD2-CD1 4.08Å; L38-M82 HydrophobicContact CD1-CE 3.46Å; L38-M82 VanDerWaalsContact CD1-CE 3.46Å; L38-M82 HydrophobicContact CD1-SD 4.46Å; L38-I107 HydrophobicContact CD2-CD1 3.72Å; L38-F116 HydrophobicContact CD2-CD2 3.88Å; L38-F116 HydrophobicContact CD2-CE2 3.4Å; L38-F116 VanDerWaalsContact CD2-CE2 3.4Å; L38-F116 HydrophobicContact CD2-CZ 3.9Å; L38-F116 HydrophobicContact CG-CE2 4.12Å
39R95.5Very high87.5Confident28 Ų2827.2 Ų27.211%0.10613%0.126CC..EExtended strand (participates in β ladder)trans-127.7138.7-179.8-66.1-176.7-174.1153.62.6110.8E10 V31 V32 Y41 L71E10-R39 IonicContact OE2-CZ 3.47Å; E10-R39 IonicContact OE2-NE 3.37Å; E10-R39 IonicContact OE2-NH2 3.56Å; E10-R39 PolarHBondContact OE2-NH2 3.35Å; V31-R39 CarbonylContact C-O 3.54Å; V31-R39 WeakPolarHBondContact CA-O 3.43Å; V32-R39 PolarHBondContact N-O 3.46Å; V32-R39 PolarHBondContact O-N 3.44Å; R39-Y41 HydrophobicContact CB-CD2 4.2Å; R39-Y41 HydrophobicContact CB-CE2 3.52Å; R39-Y41 VanDerWaalsContact CD-OH 3.26Å; R39-Y41 WeakPolarHBondContact CD-OH 3.43Å; R39-L71 CarbonylContact C-O 3.59Å; R39-L71 WeakPolarHBondContact CA-O 3Å
40V95.6Very high85.5Confident0 Ų030.6 Ų30.60%014%0.142CC..EExtended strand (participates in β ladder)trans-113.1116.3178.2-174.70000108L22 Q29 V31 C69 V70 L71 F116L22-V40 HydrophobicContact CD2-CG1 4.16Å; L22-V40 HydrophobicContact CD2-CG2 3.68Å; Q29-V40 HydrophobicContact CB-CG1 3.54Å; Q29-V40 HydrophobicContact CG-CG1 3.74Å; V31-V40 HydrophobicContact CG2-CG1 4.5Å; V31-V40 HydrophobicContact CG2-CG2 4.45Å; V40-C69 CarbonylContact O-C 3.58Å; V40-C69 WeakPolarHBondContact O-CA 3.23Å; V40-V70 PolarHBondContact O-N 3.44Å; V40-L71 HydrophobicContact CB-CB 4.01Å; V40-L71 HydrophobicContact CG2-CB 3.99Å; V40-L71 HydrophobicContact CG2-CD2 4.29Å; V40-L71 PolarHBondContact N-O 2.98Å; V40-F116 HydrophobicContact CG2-CE2 4.18Å; V40-F116 HydrophobicContact CG2-CZ 3.64Å
41Y94.3Very high83Confident5 Ų533.4 Ų33.42%0.0217%0.166CC..EExtended strand (participates in β ladder)trans-107.6141.6179.3-65.5-88.5000111Q29 L30 V32 R39 L67 E68 C69 H956Q29-Y41 CarbonylContact C-O 3.51Å; Q29-Y41 VanDerWaalsContact CA-O 3.3Å; Q29-Y41 WeakPolarHBondContact CA-O 3.28Å; Q29-Y41 WeakPolarHBondContact CB-O 3.41Å; L30-Y41 PolarHBondContact N-O 3.13Å; L30-Y41 PolarHBondContact O-N 3.47Å; V32-Y41 HydrophobicContact CB-CD2 4.43Å; V32-Y41 HydrophobicContact CB-CE2 4.23Å; V32-Y41 HydrophobicContact CG2-CD2 3.93Å; V32-Y41 HydrophobicContact CG2-CE2 4.09Å; R39-Y41 HydrophobicContact CB-CD2 4.2Å; R39-Y41 HydrophobicContact CB-CE2 3.52Å; R39-Y41 VanDerWaalsContact CD-OH 3.26Å; R39-Y41 WeakPolarHBondContact CD-OH 3.43Å; Y41-L67 HydrophobicContact CD1-CB 3.87Å; Y41-L67 HydrophobicContact CE1-CB 4.47Å; Y41-L67 HydrophobicContact CG-CB 4.45Å; Y41-E68 CarbonylContact C-O 3.59Å; Y41-E68 VanDerWaalsContact CA-O 3.24Å; Y41-E68 WeakPolarHBondContact CA-O 3Å; Y41-C69 HydrophobicContact CD1-CB 3.88Å; Y41-C69 HydrophobicContact CE1-CB 3.67Å; Y41-H956 HydrophobicContact CE1-CB 4.44Å
42R89.4Confident80.3Confident23 Ų2337 Ų379%0.08719%0.19CC..EExtended strand (participates in β ladder)trans-105.6155.2163.467.2177.8-178.2173.6-4.5110N44 E68 V70 Y793R42-N44 PolarHBondContact O-N 2.91Å; R42-E68 HydrophobicContact CG-CB 3.86Å; R42-E68 HydrophobicContact CG-CG 4.48Å; R42-E68 WeakPolarHBondContact CG-O 3.17Å; R42-E68 IonicContact CZ-OE1 2.82Å; R42-E68 IonicContact CZ-OE2 2.74Å; R42-E68 PolarHBondContact N-O 3.05Å; R42-E68 IonicContact NE-OE1 3.93Å; R42-E68 PolarHBondContact NE-OE1 3.16Å; R42-E68 IonicContact NE-OE2 3.47Å; R42-E68 PolarHBondContact NE-OE2 3.32Å; R42-E68 IonicContact NH2-OE1 4Å; R42-E68 PolarHBondContact NH2-OE1 3.49Å; R42-E68 IonicContact NH2-OE2 3.44Å; R42-E68 PolarHBondContact NH2-OE2 2.96Å; R42-E68 PolarHBondContact O-N 3.44Å; R42-V70 HydrophobicContact CB-CG2 4.1Å; R42-V70 HydrophobicContact CG-CG2 3.73Å; R42-Y793 VanDerWaalsContact NH1-CB 3.32Å; R42-Y793 PolarHBondContact NH1-O 3.23Å
43L88.7Confident77.3Confident14 Ų1440.5 Ų40.57%0.07322%0.215CC..EExtended strand (participates in β ladder)trans-87100.8172.7-72.1149.6000108.8Y19 R45 T65 L67 C382 N383 F386 L398Y19-L43 HydrophobicContact CE2-CD1 4.16Å; L43-R45 PolarHBondContact O-N 3.23Å; L43-T65 HydrophobicContact CB-CG2 4.07Å; L43-T65 HydrophobicContact CD2-CG2 3.86Å; L43-L67 HydrophobicContact CD2-CD2 4.27Å; L43-C382 HydrophobicContact CD1-CB 4.2Å; L43-N383 HydrophobicContact CD1-CB 4.22Å; L43-F386 HydrophobicContact CD2-CD1 4.43Å; L43-F386 HydrophobicContact CD2-CG 4.37Å; L43-L398 HydrophobicContact CD2-CD1 4.16Å; L43-L398 HydrophobicContact CD2-CD2 3.53Å; L43-L398 HydrophobicContact CD2-CG 4.49Å
44N84.9Confident74.3Confident6 Ų647.9 Ų47.93%0.03225%0.254CS..EExtended strand (participates in β ladder)trans-84.8106.1177.7-173.5-14.8000110.1R42 Y46 T65 K66 E68 P871R42-N44 PolarHBondContact O-N 2.91Å; N44-Y46 VanDerWaalsContact C-N 3.27Å; N44-Y46 PolarHBondContact O-N 2.96Å; N44-Y46 PolarHBondContact OD1-N 3.35Å; N44-T65 CarbonylContact O-C 3.54Å; N44-T65 VanDerWaalsContact O-CA 3.3Å; N44-T65 WeakPolarHBondContact O-CA 3.47Å; N44-K66 PolarHBondContact N-O 2.91Å; N44-K66 PolarHBondContact O-N 3.15Å; N44-E68 HydrophobicContact CB-CB 4.28Å; N44-E68 PolarHBondContact ND2-OE2 3.18Å; N44-P871 VanDerWaalsContact ND2-CB 3.31Å; N44-P871 WeakPolarHBondContact ND2-CB 3.38Å
45R79.7Confident71.2Confident131 Ų13154 Ų5449%0.49429%0.286SS..EExtended strand (participates in β ladder)trans-790.1-179.8-60.6-176.7-173.9174.12.9114.5L43 I63 T65L43-R45 PolarHBondContact O-N 3.23Å; R45-I63 WeakPolarHBondContact O-CG2 3.44Å; R45-T65 HydrophobicContact CG-CG2 4.44Å
46Y72.4Confident68.3Low73 Ų7357.7 Ų57.729%0.28632%0.32SS..EExtended strand (participates in β ladder)trans-122.828.2-175.5-57.6-85.4000111.8N44 K48 L794 D796 N872N44-Y46 VanDerWaalsContact C-N 3.27Å; N44-Y46 PolarHBondContact O-N 2.96Å; N44-Y46 PolarHBondContact OD1-N 3.35Å; Y46-K48 PolarHBondContact O-N 3.32Å; Y46-L794 HydrophobicContact CD2-CD2 3.59Å; Y46-L794 HydrophobicContact CE2-CD2 3.63Å; Y46-D796 HydrophobicContact CE1-CB 3.94Å; Y46-N872 PolarHBondContact O-ND2 3.37Å
47A66.8Low65.4Low9 Ų964.3 Ų64.37%0.07435%0.349CS..EExtended strand (participates in β ladder)trans-73.2123.9177.900000109.6T64 K66A47-T64 PolarHBondContact N-O 2.93Å; A47-T64 PolarHBondContact O-N 2.89Å; A47-K66 HydrophobicContact CB-CB 3.87Å; A47-K66 HydrophobicContact CB-CD 3.99Å; A47-K66 HydrophobicContact CB-CG 3.8Å
48K64.5Low62.4Low155 Ų15573 Ų7367%0.67439%0.39SS*.PPolyproline II helixtrans-75.9140.7167.2-65.7-175.2-179.2-175.70109.2Y46Y46-K48 PolarHBondContact O-N 3.32Å
49P55.6Low59.4Low63 Ų6378 Ų7841%0.40942%0.42SS..PPolyproline II helixtrans-59.5141.9166.923.6-29.9000110.1A61P49-A61 HydrophobicContact CG-CB 4.07Å
50Q51.5Low56.7Low76 Ų7682.6 Ų82.636%0.35545%0.451SS..PPolyproline II helixtrans-68.2134.6174-80.3178-45.800109C52 G937Q50-C52 PolarHBondContact O-N 3.08Å; Q50-G937 PolarHBondContact NE2-O 2.85Å
51A44Very low54.3Low61 Ų6185.9 Ų85.950%0.50448%0.478SS..THydrogen-bonded Turntrans-70.220.6-174.100000115.3
52C40.7Very low52.4Low74 Ų7493.3 Ų93.350%0.551%0.513SS..THydrogen-bonded Turntrans-97.45.7-175.4-66.30000114.7Q50Q50-C52 PolarHBondContact O-N 3.08Å
53S34.3Very low51Low82 Ų8298 Ų9857%0.57354%0.539SS*.SBendtrans-93120.7166.957.60000109.7N55S53-N55 PolarHBondContact O-N 3.46Å
54N32.6Very low50.4Low155 Ų15599.7 Ų99.783%0.82955%0.55SS*.  trans-58.720.7-179.5-74.7-8.4000116.5A56N54-A56 PolarHBondContact O-N 3.13Å; N54-A56 VanDerWaalsContact O-N 3.13Å
55N30.1Very low50.3Low135 Ų135100.5 Ų100.572%0.72256%0.555SS**  trans-85.489.7175.3-69-4.3000108.4S53 E57S53-N55 PolarHBondContact O-N 3.46Å; N55-E57 PolarHBondContact O-N 2.93Å
56A31.6Very low50.7Low102 Ų10296.5 Ų96.584%0.84354%0.541SS*.  trans-6934.6176.400000114.1N54N54-A56 PolarHBondContact O-N 3.13Å; N54-A56 VanDerWaalsContact O-N 3.13Å
57E31.8Very low51.7Low157 Ų15793.1 Ų93.173%0.73453%0.528SS*.  trans-109.293.8169.7-68.6-172.8174.700107.7N55 T59N55-E57 PolarHBondContact O-N 2.93Å; E57-T59 PolarHBondContact O-N 3.11Å; E57-T59 PolarHBondContact O-OG1 3.47Å
58E31.4Very low52.8Low185 Ų18592.8 Ų92.886%0.86453%0.525SS*.  trans-68.746.2171.4-68-173.6144.700112.1T60E58-T60 PolarHBondContact O-N 3.2Å
59T32.1Very low54.2Low105 Ų10585.5 Ų85.564%0.64449%0.494SS*.SBendtrans-80.598.8168.736.30000108.3E57 A61E57-T59 PolarHBondContact O-N 3.11Å; E57-T59 PolarHBondContact O-OG1 3.47Å; T59-A61 PolarHBondContact O-N 3.17Å
60T38.9Very low55.8Low123 Ų12383.3 Ų83.376%0.75548%0.479SS*.  trans32.579.5166.252.20000113.9E58 E62E58-T60 PolarHBondContact O-N 3.2Å; T60-E62 PolarHBondContact O-N 3.01Å
61A46Very low57.7Low69 Ų6980 Ų8057%0.5746%0.463SS*.  trans-38.9103.5178.400000111P49 T59 I63P49-A61 HydrophobicContact CG-CB 4.07Å; T59-A61 PolarHBondContact O-N 3.17Å; A61-I63 PolarHBondContact O-N 3.42Å; A61-I63 VanDerWaalsContact O-N 3.12Å
62E52.5Low60Low161 Ų16179.1 Ų79.175%0.75245%0.454SS*.  trans-60.2122.1-174.4-73-174.9164.100108T60 T64T60-E62 PolarHBondContact O-N 3.01Å; E62-T64 PolarHBondContact O-N 2.9Å; E62-T64 VanDerWaalsContact O-N 3.15Å
63I61.3Low62.4Low122 Ų12276.7 Ų76.763%0.62644%0.435SS*.  trans-65.1116.7179.3-66.1174.1000107.4R45 A61R45-I63 WeakPolarHBondContact O-CG2 3.44Å; A61-I63 PolarHBondContact O-N 3.42Å; A61-I63 VanDerWaalsContact O-N 3.12Å
64T75Confident65.1Low50 Ų5076.9 Ų76.931%0.30743%0.433SS..EExtended strand (participates in β ladder)trans-107.9154.4179.254.40000111A47 E62A47-T64 PolarHBondContact N-O 2.93Å; A47-T64 PolarHBondContact O-N 2.89Å; E62-T64 PolarHBondContact O-N 2.9Å; E62-T64 VanDerWaalsContact O-N 3.15Å
65T84.3Confident68Low22 Ų2269.9 Ų69.914%0.13540%0.395CS..EExtended strand (participates in β ladder)trans-93117.9176.3-59.30000109.9L43 N44 R45 F386 V457L43-T65 HydrophobicContact CB-CG2 4.07Å; L43-T65 HydrophobicContact CD2-CG2 3.86Å; N44-T65 CarbonylContact O-C 3.54Å; N44-T65 VanDerWaalsContact O-CA 3.3Å; N44-T65 WeakPolarHBondContact O-CA 3.47Å; R45-T65 HydrophobicContact CG-CG2 4.44Å; T65-F386 HydrophobicContact CG2-CE1 4.04Å; T65-F386 HydrophobicContact CG2-CZ 3.85Å; T65-V457 WeakPolarHBondContact O-CG1 3.25Å
66K88.3Confident70.9Confident47 Ų4765.1 Ų65.120%0.20437%0.368CS..EExtended strand (participates in β ladder)trans-115.9157.3177-69.2-166.3175.3-171.20112.5N44 A47N44-K66 PolarHBondContact N-O 2.91Å; N44-K66 PolarHBondContact O-N 3.15Å; A47-K66 HydrophobicContact CB-CB 3.87Å; A47-K66 HydrophobicContact CB-CD 3.99Å; A47-K66 HydrophobicContact CB-CG 3.8Å
67L92.1Very high73.7Confident2 Ų260.8 Ų60.81%0.0133%0.334CS..EExtended strand (participates in β ladder)trans-76.4132.3171-67.5175.4000109.6L30 Y41 L43 F388 L398 D458 V460 H956L30-L67 HydrophobicContact CD2-CD2 4.06Å; Y41-L67 HydrophobicContact CD1-CB 3.87Å; Y41-L67 HydrophobicContact CE1-CB 4.47Å; Y41-L67 HydrophobicContact CG-CB 4.45Å; L43-L67 HydrophobicContact CD2-CD2 4.27Å; L67-F388 HydrophobicContact CD1-CD2 4.41Å; L67-F388 HydrophobicContact CD1-CE2 4.19Å; L67-L398 HydrophobicContact CD1-CB 4.24Å; L67-L398 HydrophobicContact CD2-CD1 4.49Å; L67-L398 HydrophobicContact CD2-CD2 4.02Å; L67-L398 HydrophobicContact CG-CB 4.39Å; L67-L398 HydrophobicContact CG-CD2 4.06Å; L67-D458 PolarHBondContact N-OD2 3.4Å; L67-V460 HydrophobicContact CD1-CG2 3.84Å; L67-H956 PolarHBondContact O-CD2 3.31Å; L67-H956 VanDerWaalsContact O-CD2 3.3Å
68E90.9Very high76.6Confident2 Ų254.2 Ų54.21%0.00930%0.304CS..EExtended strand (participates in β ladder)trans-127.5119.2174.2-176.6-177.2168.400109.9Y41 R42 N44 V70 P871 H956Y41-E68 CarbonylContact C-O 3.59Å; Y41-E68 VanDerWaalsContact CA-O 3.24Å; Y41-E68 WeakPolarHBondContact CA-O 3Å; R42-E68 HydrophobicContact CG-CB 3.86Å; R42-E68 HydrophobicContact CG-CG 4.48Å; R42-E68 WeakPolarHBondContact CG-O 3.17Å; R42-E68 IonicContact CZ-OE1 2.82Å; R42-E68 IonicContact CZ-OE2 2.74Å; R42-E68 PolarHBondContact N-O 3.05Å; R42-E68 IonicContact NE-OE1 3.93Å; R42-E68 PolarHBondContact NE-OE1 3.16Å; R42-E68 IonicContact NE-OE2 3.47Å; R42-E68 PolarHBondContact NE-OE2 3.32Å; R42-E68 IonicContact NH2-OE1 4Å; R42-E68 PolarHBondContact NH2-OE1 3.49Å; R42-E68 IonicContact NH2-OE2 3.44Å; R42-E68 PolarHBondContact NH2-OE2 2.96Å; R42-E68 PolarHBondContact O-N 3.44Å; N44-E68 HydrophobicContact CB-CB 4.28Å; N44-E68 PolarHBondContact ND2-OE2 3.18Å; E68-V70 PolarHBondContact O-N 2.92Å; E68-P871 HydrophobicContact CG-CG 4.19Å; E68-H956 CarbonylContact C-O 3.55Å
69C92.5Very high79.6Confident3 Ų345.4 Ų45.42%0.0226%0.263CS..EExtended strand (participates in β ladder)trans-74.9117.1178-168.80000110V40 Y41 L71 H956 I958V40-C69 CarbonylContact O-C 3.58Å; V40-C69 WeakPolarHBondContact O-CA 3.23Å; Y41-C69 HydrophobicContact CD1-CB 3.88Å; Y41-C69 HydrophobicContact CE1-CB 3.67Å; C69-L71 PolarHBondContact SG-O 2.95Å; C69-H956 WeakPolarHBondContact CB-O 3.44Å; C69-H956 PolarHBondContact N-O 3.07Å; C69-I958 HydrophobicContact CB-CD1 3.85Å; C69-I958 HydrophobicContact CB-CG1 3.52Å
70V90.1Very high82.5Confident17 Ų1743.1 Ų43.110%0.10325%0.245CC..EExtended strand (participates in β ladder)trans-95.5-35.6179.1-174.50000110.8L23 V40 R42 E68L23-V70 HydrophobicContact CD1-CB 4.09Å; L23-V70 HydrophobicContact CD1-CG1 3.65Å; L23-V70 HydrophobicContact CD1-CG2 4.49Å; V40-V70 PolarHBondContact O-N 3.44Å; R42-V70 HydrophobicContact CB-CG2 4.1Å; R42-V70 HydrophobicContact CG-CG2 3.73Å; E68-V70 PolarHBondContact O-N 2.92Å
71L91.2Very high85.1Confident5 Ų538 Ų383%0.02622%0.216CC..EExtended strand (participates in β ladder)trans-139.5136.8-178.7-172.670.8000109.8R39 V40 C69 E73 H114 F116R39-L71 CarbonylContact C-O 3.59Å; R39-L71 WeakPolarHBondContact CA-O 3Å; V40-L71 HydrophobicContact CB-CB 4.01Å; V40-L71 HydrophobicContact CG2-CB 3.99Å; V40-L71 HydrophobicContact CG2-CD2 4.29Å; V40-L71 PolarHBondContact N-O 2.98Å; C69-L71 PolarHBondContact SG-O 2.95Å; L71-E73 HydrophobicContact CG-CG 4.47Å; L71-H114 WeakPolarHBondContact CD1-O 3.37Å; L71-F116 HydrophobicContact CD2-CD1 4.38Å; L71-F116 HydrophobicContact CD2-CD2 3.85Å; L71-F116 HydrophobicContact CD2-CE1 4.01Å; L71-F116 HydrophobicContact CD2-CE2 3.42Å; L71-F116 VanDerWaalsContact CD2-CE2 3.42Å; L71-F116 HydrophobicContact CD2-CG 4.31Å; L71-F116 HydrophobicContact CD2-CZ 3.53Å; L71-F116 HydrophobicContact CG-CE2 4.26Å
72S92.1Very high87.4Confident43 Ų4335.9 Ų35.930%0.30119%0.194SC..EExtended strand (participates in β ladder)trans-138128174.4-172.70000109.6L38L38-S72 WeakPolarHBondContact O-CA 3.5Å
73E91.3Very high89.4Confident23 Ų2328.8 Ų28.811%0.10716%0.163CC..EExtended strand (participates in β ladder)trans-140.1146.5179.2-65.4-168.4-179.600111.9L38 L71 C115 F116 K908 V1371L38-E73 PolarHBondContact N-O 3.1Å; L38-E73 PolarHBondContact O-N 3.16Å; L71-E73 HydrophobicContact CG-CG 4.47Å; E73-C115 WeakPolarHBondContact OE1-CA 3.4Å; E73-C115 WeakPolarHBondContact OE1-CB 3.32Å; E73-F116 HydrophobicContact CB-CD2 4.3Å; E73-F116 HydrophobicContact CG-CD2 4.16Å; E73-F116 PolarHBondContact OE1-N 3.38Å; E73-F116 WeakPolarHBondContact OE2-CB 3.28Å; E73-F116 VanDerWaalsContact OE2-CD2 3.28Å; E73-F116 WeakPolarHBondContact OE2-CD2 3.42Å; E73-F116 PolarHBondContact OE2-N 2.81Å; E73-K908 IonicContact OE1-NZ 3.7Å; E73-V1371 WeakPolarHBondContact OE2-CG2 3.39Å
74T91.5Very high91Very high86 Ų8628.4 Ų28.453%0.52815%0.154SC..EExtended strand (participates in β ladder)trans-100.1135.9176.657.60000110.4
75I92.5Very high91.8Very high8 Ų826 Ų264%0.04114%0.139CC..  trans-117.2144.4-174.9-55.9174.7000109.9S36 L38 G77 V79 L97 F99 V1371 L1374S36-I75 WeakPolarHBondContact CB-O 3.37Å; S36-I75 PolarHBondContact O-N 3.34Å; L38-I75 HydrophobicContact CB-CD1 3.89Å; L38-I75 HydrophobicContact CD2-CD1 4.08Å; I75-G77 PolarHBondContact O-N 3.4Å; I75-V79 HydrophobicContact CD1-CG2 4.44Å; I75-L97 HydrophobicContact CD1-CD1 3.68Å; I75-F99 HydrophobicContact CG2-CE1 3.86Å; I75-F99 HydrophobicContact CG2-CZ 4.01Å; I75-V1371 HydrophobicContact CD1-CG1 4.31Å; I75-V1371 HydrophobicContact CG1-CB 4.26Å; I75-V1371 HydrophobicContact CG1-CG1 4.1Å; I75-L1374 HydrophobicContact CG2-CD1 3.7Å
76F91.1Very high92.2Very high35 Ų3531.4 Ų31.415%0.15416%0.163CC..SBendtrans-83.254178.1-70.1-76.9000113.2H1370 L1374 P1376 C1379 L1401F76-H1370 HydrophobicContact CD2-CB 4.31Å; F76-H1370 AromaticContact CD2-ND1 3.59Å; F76-H1370 AromaticContact CE2-CE1 3.95Å; F76-H1370 AromaticContact CE2-ND1 3.25Å; F76-H1370 VanDerWaalsContact CE2-ND1 3.25Å; F76-H1370 WeakPolarHBondContact CE2-ND1 3.42Å; F76-L1374 HydrophobicContact CB-CB 4.16Å; F76-L1374 WeakPolarHBondContact O-CD1 3.36Å; F76-P1376 HydrophobicContact CD1-CB 3.71Å; F76-P1376 HydrophobicContact CD1-CG 4.13Å; F76-P1376 HydrophobicContact CD2-CB 4.3Å; F76-P1376 HydrophobicContact CD2-CG 3.79Å; F76-P1376 HydrophobicContact CE1-CB 3.79Å; F76-P1376 HydrophobicContact CE1-CG 4.18Å; F76-P1376 HydrophobicContact CE2-CB 4.37Å; F76-P1376 HydrophobicContact CE2-CG 3.84Å; F76-P1376 HydrophobicContact CG-CB 3.97Å; F76-P1376 HydrophobicContact CG-CG 3.93Å; F76-P1376 HydrophobicContact CZ-CB 4.12Å; F76-P1376 HydrophobicContact CZ-CG 4.03Å; F76-C1379 HydrophobicContact CB-CB 4.21Å; F76-C1379 WeakPolarHBondContact O-CB 3.35Å; F76-C1379 PolarHBondContact O-SG 2.82Å; F76-L1401 HydrophobicContact CZ-CD1 4.15Å
77G90.1Very high92Very high12 Ų1229.6 Ų29.612%0.12416%0.156CC..SBendtrans173.7157.1175.800000111.6I75I75-G77 PolarHBondContact O-N 3.4Å
78N92.5Very high91.4Very high18 Ų1832.5 Ų32.510%0.09618%0.179CC..  trans-83.2119.7177-63.66000109.3N35 M80 F99 G1304N35-N78 HydrophobicContact CB-CB 4.43Å; N78-M80 HydrophobicContact CB-SD 4.5Å; N78-M80 PolarHBondContact O-N 3.41Å; N78-F99 WeakPolarHBondContact O-CD1 3.45Å; N78-G1304 PolarHBondContact ND2-O 2.99Å; N78-G1304 PolarHBondContact OD1-O 2.77Å
79V94.7Very high90.6Very high0 Ų035.2 Ų35.20%021%0.208CC..EExtended strand (participates in β ladder)trans-64.9117.9169.6-179.60000107.3N15 A33 N35 I75 A81 M82 L97 G98 F99N15-V79 PolarHBondContact ND2-O 3.49Å; A33-V79 HydrophobicContact CB-CB 4.01Å; A33-V79 HydrophobicContact CB-CG1 4.05Å; A33-V79 HydrophobicContact CB-CG2 4.31Å; N35-V79 WeakPolarHBondContact O-CG2 3.3Å; N35-V79 PolarHBondContact O-N 2.73Å; I75-V79 HydrophobicContact CD1-CG2 4.44Å; V79-A81 WeakPolarHBondContact CG1-O 3.44Å; V79-M82 HydrophobicContact CG1-CB 4.45Å; V79-M82 HydrophobicContact CG1-CE 4.26Å; V79-L97 HydrophobicContact CG1-CD2 4.22Å; V79-L97 HydrophobicContact CG2-CD1 4.42Å; V79-L97 HydrophobicContact CG2-CD2 4.46Å; V79-G98 CarbonylContact C-O 3.54Å; V79-F99 HydrophobicContact CG2-CE1 3.88Å; V79-F99 HydrophobicContact CG2-CZ 4.47Å
80M92.9Very high90Very high58 Ų5836 Ų3629%0.28621%0.211SC..EExtended strand (participates in β ladder)trans-96.7-29177.9-62.8-60.4-57.400111.7N78 G98 R100 F140N78-M80 HydrophobicContact CB-SD 4.5Å; N78-M80 PolarHBondContact O-N 3.41Å; M80-G98 PolarHBondContact N-O 3.1Å; M80-R100 HydrophobicContact CG-CG 3.73Å; M80-R100 HydrophobicContact SD-CG 3.73Å; M80-F140 HydrophobicContact CB-CB 4.26Å; M80-F140 HydrophobicContact CB-CD1 3.78Å; M80-F140 HydrophobicContact CB-CE1 4.43Å; M80-F140 HydrophobicContact CB-CG 4.07Å
81A93.4Very high89.4Confident16 Ų1639.8 Ų39.813%0.13224%0.236CC..EExtended strand (participates in β ladder)trans-150.2155.3175.100000110.2V79 G98 F140 M142V79-A81 WeakPolarHBondContact CG1-O 3.44Å; A81-G98 PolarHBondContact N-O 3.4Å; A81-G98 PolarHBondContact O-N 3.37Å; A81-F140 HydrophobicContact CB-CD1 4.05Å; A81-F140 HydrophobicContact CB-CE1 3.86Å; A81-M142 HydrophobicContact CB-CB 3.98Å; A81-M142 HydrophobicContact CB-CE 3.75Å; A81-M142 HydrophobicContact CB-SD 4.46Å
82M95.3Very high89.3Confident23 Ų2339.9 Ų39.911%0.11324%0.236CC..EExtended strand (participates in β ladder)trans-139.6139.2180-172.7-176.7-55.800110C16 V18 V31 A33 L38 V79 L95 A96 L97C16-M82 HydrophobicContact CB-CB 3.95Å; C16-M82 HydrophobicContact CB-CE 4.31Å; V18-M82 HydrophobicContact CB-CG 4.42Å; V18-M82 HydrophobicContact CB-SD 4.06Å; V18-M82 HydrophobicContact CG2-CB 3.96Å; V18-M82 HydrophobicContact CG2-CG 3.68Å; V18-M82 HydrophobicContact CG2-SD 3.83Å; V31-M82 HydrophobicContact CB-SD 4.2Å; V31-M82 HydrophobicContact CG1-CE 4.23Å; V31-M82 HydrophobicContact CG1-SD 3.75Å; A33-M82 HydrophobicContact CB-CE 3.43Å; A33-M82 VanDerWaalsContact CB-CE 3.43Å; L38-M82 HydrophobicContact CD1-CE 3.46Å; L38-M82 VanDerWaalsContact CD1-CE 3.46Å; L38-M82 HydrophobicContact CD1-SD 4.46Å; V79-M82 HydrophobicContact CG1-CB 4.45Å; V79-M82 HydrophobicContact CG1-CE 4.26Å; M82-L95 HydrophobicContact SD-CD2 4.45Å; M82-A96 WeakPolarHBondContact CA-O 3.31Å; M82-L97 HydrophobicContact CB-CD2 4.44Å; M82-L97 HydrophobicContact CE-CD2 3.94Å; M82-L97 HydrophobicContact CG-CD2 3.86Å; M82-L97 HydrophobicContact SD-CD2 4.41Å
83A95Very high89.4Confident13 Ų1338.4 Ų38.411%0.10723%0.225CC..EExtended strand (participates in β ladder)trans-140.1148.1174.500000111.7A96 M142 A144A83-A96 HydrophobicContact CB-CB 4.45Å; A83-A96 PolarHBondContact N-O 3.22Å; A83-A96 PolarHBondContact O-N 2.72Å; A83-M142 HydrophobicContact CB-CE 4.04Å; A83-A144 HydrophobicContact CB-CB 3.64Å
84R94.4Very high89.4Confident114 Ų11437.3 Ų37.343%0.4322%0.22SC..EExtended strand (participates in β ladder)trans-81.3144.2171.669.3179.4-170.7115.34.4110.8V18 C20V18-R84 HydrophobicContact CG1-CB 3.81Å; V18-R84 HydrophobicContact CG1-CG 4.47Å; C20-R84 HydrophobicContact CB-CB 3.84Å
85L92.6Very high89.6Confident0 Ų033.2 Ų33.20%020%0.195CC..EExtended strand (participates in β ladder)trans-133.1122.7175.9-60.4174.6000110.5L87 D93 A94 A96 V106 A144 I151 F165L85-L87 HydrophobicContact CB-CD2 4.16Å; L85-L87 HydrophobicContact CB-CG 4.18Å; L85-L87 HydrophobicContact CD1-CD2 4.38Å; L85-L87 PolarHBondContact O-N 2.76Å; L85-D93 CarbonylContact O-C 3.58Å; L85-D93 WeakPolarHBondContact O-CA 3.28Å; L85-A94 HydrophobicContact CB-CB 4.3Å; L85-A94 PolarHBondContact N-O 3.5Å; L85-A94 PolarHBondContact O-N 3.04Å; L85-A96 HydrophobicContact CD1-CB 4.01Å; L85-A96 HydrophobicContact CG-CB 4.3Å; L85-V106 HydrophobicContact CD1-CG1 3.85Å; L85-V106 HydrophobicContact CD1-CG2 4.3Å; L85-A144 HydrophobicContact CD2-CB 4.04Å; L85-I151 HydrophobicContact CD1-CD1 3.99Å; L85-I151 HydrophobicContact CD2-CD1 3.98Å; L85-I151 HydrophobicContact CD2-CG1 3.93Å; L85-I151 HydrophobicContact CG-CD1 4.48Å; L85-F165 HydrophobicContact CD1-CE1 4.47Å; L85-F165 HydrophobicContact CD1-CE2 3.81Å; L85-F165 HydrophobicContact CD1-CZ 3.61Å; L85-F165 HydrophobicContact CD2-CE2 3.8Å; L85-F165 HydrophobicContact CD2-CZ 4.45Å; L85-F165 HydrophobicContact CG-CE2 4.42Å
86Q90.8Very high89.7Confident135 Ų13532.9 Ų32.963%0.63119%0.193SC*.  trans-94.192.9169.7-169174.613.600109S148Q86-S148 PolarHBondContact N-OG 2.92Å; Q86-S148 WeakPolarHBondContact O-CB 3.4Å
87L85.6Confident89.9Confident9 Ų931.2 Ų31.25%0.04719%0.186CC..  trans-85.9134.3-174.9-60.6175.9000111.5L85 G89 Y90 A94 V106 L119 F165 I188L85-L87 HydrophobicContact CB-CD2 4.16Å; L85-L87 HydrophobicContact CB-CG 4.18Å; L85-L87 HydrophobicContact CD1-CD2 4.38Å; L85-L87 PolarHBondContact O-N 2.76Å; L87-G89 PolarHBondContact O-N 3.15Å; L87-Y90 PolarHBondContact O-N 3.34Å; L87-Y90 VanDerWaalsContact O-N 3.07Å; L87-A94 HydrophobicContact CD1-CB 3.67Å; L87-A94 HydrophobicContact CG-CB 4.18Å; L87-V106 HydrophobicContact CD1-CG1 4.49Å; L87-L119 HydrophobicContact CD1-CD1 4.1Å; L87-F165 HydrophobicContact CD2-CB 4.15Å; L87-F165 HydrophobicContact CD2-CD1 3.76Å; L87-F165 HydrophobicContact CD2-CD2 4.03Å; L87-F165 HydrophobicContact CD2-CE1 4.13Å; L87-F165 HydrophobicContact CD2-CE2 4.38Å; L87-F165 HydrophobicContact CD2-CG 3.7Å; L87-F165 HydrophobicContact CD2-CZ 4.43Å; L87-I188 HydrophobicContact CB-CD1 4.05Å; L87-I188 HydrophobicContact CD1-CD1 4.43Å; L87-I188 HydrophobicContact CD1-CG2 4.48Å
88A79.3Confident90Very high62 Ų6230.6 Ų30.651%0.51218%0.18SC..THydrogen-bonded Turntrans-60.8127.7178.200000111.7Y90 P167A88-Y90 VanDerWaalsContact C-N 3.27Å; A88-Y90 PolarHBondContact O-N 3.14Å; A88-P167 HydrophobicContact CB-CB 4.01Å; A88-P167 HydrophobicContact CB-CG 3.88Å
89G74.2Confident90Very high60 Ų6030 Ų3062%0.61918%0.177SC*.THydrogen-bonded Turntrans83.2-8.1-177.400000114.8L87 P186L87-G89 PolarHBondContact O-N 3.15Å; G89-P186 WeakPolarHBondContact O-CG 3.41Å
90Y79Confident89.4Confident20 Ų2033.4 Ų33.48%0.07819%0.189CC..  trans-90.7127.7170.1-149.1-109.8000109.1L87 A88 V92 G108 Y109 L119 F185 I188L87-Y90 PolarHBondContact O-N 3.34Å; L87-Y90 VanDerWaalsContact O-N 3.07Å; A88-Y90 VanDerWaalsContact C-N 3.27Å; A88-Y90 PolarHBondContact O-N 3.14Å; Y90-V92 VanDerWaalsContact C-N 3.27Å; Y90-V92 HydrophobicContact CD1-CG2 3.84Å; Y90-V92 VanDerWaalsContact CD1-O 3.26Å; Y90-V92 WeakPolarHBondContact CD1-O 3.41Å; Y90-V92 HydrophobicContact CE1-CG2 3.53Å; Y90-V92 PolarHBondContact O-N 3.41Å; Y90-G108 WeakPolarHBondContact OH-CA 3.11Å; Y90-Y109 PolarHBondContact OH-N 2.88Å; Y90-Y109 PolarHBondContact OH-O 3.45Å; Y90-L119 HydrophobicContact CE2-CD1 4.43Å; Y90-L119 HydrophobicContact CE2-CD2 4.3Å; Y90-F185 HydrophobicContact CE2-CD1 4.03Å; Y90-F185 HydrophobicContact CE2-CE1 4.01Å; Y90-I188 HydrophobicContact CD2-CD1 4.11Å; Y90-I188 HydrophobicContact CG-CD1 4.41Å
91P78.4Confident88.8Confident95 Ų9532.4 Ų32.462%0.61719%0.185SC*.SBendtrans-72.2-20.1-170.428-35.5000114.1
92V89.3Confident88.4Confident7 Ų731.9 Ų31.94%0.04218%0.181CC..SBendtrans-124.8174.2-179-64.80000109.4K21 P24 Y90K21-V92 WeakPolarHBondContact O-CB 3.18Å; P24-V92 HydrophobicContact CB-CG1 4.36Å; Y90-V92 VanDerWaalsContact C-N 3.27Å; Y90-V92 HydrophobicContact CD1-CG2 3.84Å; Y90-V92 VanDerWaalsContact CD1-O 3.26Å; Y90-V92 WeakPolarHBondContact CD1-O 3.41Å; Y90-V92 HydrophobicContact CE1-CG2 3.53Å; Y90-V92 PolarHBondContact O-N 3.41Å
93D92.8Very high88.1Confident13 Ų1332 Ų327%0.0718%0.181CC..  trans-73.2144.5172-63.3-29.9000110.2C20 K21 L22 L85C20-D93 HydrophobicContact CB-CB 4.14Å; C20-D93 WeakPolarHBondContact CB-OD2 3.27Å; K21-D93 PolarHBondContact N-OD2 3.45Å; K21-D93 WeakPolarHBondContact O-CB 3.41Å; K21-D93 PolarHBondContact O-N 3.27Å; L22-D93 WeakPolarHBondContact CD1-O 3.36Å; L85-D93 CarbonylContact O-C 3.58Å; L85-D93 WeakPolarHBondContact O-CA 3.28Å
94A92.4Very high88Confident0 Ų031.4 Ų31.40%018%0.176CC..EExtended strand (participates in β ladder)trans-98.8165.616700000110.4L85 L87 V106 I107 L119L85-A94 HydrophobicContact CB-CB 4.3Å; L85-A94 PolarHBondContact N-O 3.5Å; L85-A94 PolarHBondContact O-N 3.04Å; L87-A94 HydrophobicContact CD1-CB 3.67Å; L87-A94 HydrophobicContact CG-CB 4.18Å; A94-V106 HydrophobicContact CB-CG1 4.35Å; A94-I107 WeakPolarHBondContact CB-O 3.38Å; A94-L119 HydrophobicContact CB-CD1 4.11Å
95L94.6Very high87.9Confident0 Ų026 Ų260%016%0.155CC..EExtended strand (participates in β ladder)trans-118.8131.4178.6-65.6169.9000110.7L22 V31 M82 V106 I107 F116L22-L95 HydrophobicContact CD1-CD1 3.89Å; L22-L95 HydrophobicContact CD1-CG 3.89Å; L22-L95 HydrophobicContact CD2-CD1 3.83Å; V31-L95 HydrophobicContact CG1-CD1 3.87Å; V31-L95 HydrophobicContact CG2-CD1 4.21Å; M82-L95 HydrophobicContact SD-CD2 4.45Å; L95-V106 CarbonylContact O-C 3.4Å; L95-V106 WeakPolarHBondContact O-CA 3.33Å; L95-I107 HydrophobicContact CB-CD1 4.33Å; L95-I107 HydrophobicContact CB-CG1 3.8Å; L95-I107 HydrophobicContact CD1-CD1 4.32Å; L95-I107 PolarHBondContact N-O 3.44Å; L95-I107 PolarHBondContact O-N 3.05Å; L95-F116 HydrophobicContact CD1-CE1 4.42Å; L95-F116 HydrophobicContact CD1-CZ 4.49Å
96A94.5Very high87.9Confident0 Ų026 Ų260%016%0.155CC..EExtended strand (participates in β ladder)trans-93123.9164.400000110M82 A83 L85 I104 M142 I151M82-A96 WeakPolarHBondContact CA-O 3.31Å; A83-A96 HydrophobicContact CB-CB 4.45Å; A83-A96 PolarHBondContact N-O 3.22Å; A83-A96 PolarHBondContact O-N 2.72Å; L85-A96 HydrophobicContact CD1-CB 4.01Å; L85-A96 HydrophobicContact CG-CB 4.3Å; A96-I104 HydrophobicContact CB-CG2 4.5Å; A96-M142 HydrophobicContact CB-CE 4.44Å; A96-I151 HydrophobicContact CB-CD1 3.51Å; A96-I151 HydrophobicContact CB-CG1 4.49Å
97L95.4Very high88Confident0 Ų019.6 Ų19.60%013%0.125CC..EExtended strand (participates in β ladder)trans-109.8117.2175.3-56.9-176.1000109.3I75 V79 M82 F99 I104 G105 I107I75-L97 HydrophobicContact CD1-CD1 3.68Å; V79-L97 HydrophobicContact CG1-CD2 4.22Å; V79-L97 HydrophobicContact CG2-CD1 4.42Å; V79-L97 HydrophobicContact CG2-CD2 4.46Å; M82-L97 HydrophobicContact CB-CD2 4.44Å; M82-L97 HydrophobicContact CE-CD2 3.94Å; M82-L97 HydrophobicContact CG-CD2 3.86Å; M82-L97 HydrophobicContact SD-CD2 4.41Å; L97-F99 HydrophobicContact CB-CE1 4.46Å; L97-F99 HydrophobicContact CB-CE2 3.63Å; L97-F99 HydrophobicContact CB-CZ 3.58Å; L97-F99 HydrophobicContact CD1-CZ 3.94Å; L97-F99 HydrophobicContact CG-CZ 4.44Å; L97-F99 WeakPolarHBondContact O-CD2 3.27Å; L97-F99 WeakPolarHBondContact O-CE2 3.49Å; L97-I104 CarbonylContact O-C 3.43Å; L97-I104 VanDerWaalsContact O-CA 3.31Å; L97-I104 WeakPolarHBondContact O-CA 3.27Å; L97-G105 PolarHBondContact N-O 3.49Å; L97-G105 PolarHBondContact O-N 3.29Å; L97-I107 HydrophobicContact CD1-CD1 3.68Å; L97-I107 HydrophobicContact CD1-CG1 4.29Å; L97-I107 HydrophobicContact CG-CD1 4.22Å; L97-I107 HydrophobicContact CG-CG1 4.43Å
98G93.9Very high88.3Confident0 Ų019.1 Ų19.10%012%0.123CC..EExtended strand (participates in β ladder)trans-88.3132.717100000110.7V79 M80 A81 F140V79-G98 CarbonylContact C-O 3.54Å; M80-G98 PolarHBondContact N-O 3.1Å; A81-G98 PolarHBondContact N-O 3.4Å; A81-G98 PolarHBondContact O-N 3.37Å; G98-F140 VanDerWaalsContact CA-CZ 3.47Å
99F92.1Very high88.8Confident6 Ų616.8 Ų16.83%0.02610%0.101CC..EExtended strand (participates in β ladder)trans-119.4164.8177.3-56.1-84.4000110.2I75 N78 V79 L97 K103 F140 A1372 L1374I75-F99 HydrophobicContact CG2-CE1 3.86Å; I75-F99 HydrophobicContact CG2-CZ 4.01Å; N78-F99 WeakPolarHBondContact O-CD1 3.45Å; V79-F99 HydrophobicContact CG2-CE1 3.88Å; V79-F99 HydrophobicContact CG2-CZ 4.47Å; L97-F99 HydrophobicContact CB-CE1 4.46Å; L97-F99 HydrophobicContact CB-CE2 3.63Å; L97-F99 HydrophobicContact CB-CZ 3.58Å; L97-F99 HydrophobicContact CD1-CZ 3.94Å; L97-F99 HydrophobicContact CG-CZ 4.44Å; L97-F99 WeakPolarHBondContact O-CD2 3.27Å; L97-F99 WeakPolarHBondContact O-CE2 3.49Å; F99-K103 HydrophobicContact CB-CB 4.11Å; F99-K103 PolarHBondContact N-O 3.17Å; F99-F140 WeakPolarHBondContact O-CD2 3.48Å; F99-F140 WeakPolarHBondContact O-CE2 3.38Å; F99-A1372 HydrophobicContact CE2-CB 3.87Å; F99-A1372 HydrophobicContact CZ-CB 3.78Å; F99-L1374 HydrophobicContact CD1-CD1 3.78Å; F99-L1374 HydrophobicContact CD2-CD1 4.26Å; F99-L1374 HydrophobicContact CD2-CD2 4.22Å; F99-L1374 HydrophobicContact CE1-CD1 3.54Å; F99-L1374 HydrophobicContact CE2-CD1 4.04Å; F99-L1374 HydrophobicContact CE2-CD2 4.37Å; F99-L1374 HydrophobicContact CE2-CG 4.45Å; F99-L1374 HydrophobicContact CG-CD1 4.14Å; F99-L1374 HydrophobicContact CG-CD2 4.49Å; F99-L1374 HydrophobicContact CZ-CD1 3.68Å; F99-L1374 HydrophobicContact CZ-CG 4.46Å
100R82.6Confident89.4Confident70 Ų7015.3 Ų15.326%0.2648%0.079SC..THydrogen-bonded Turntrans-52.6158.1171.8-66.9-173.3175.6-176.1-2.6111.5M80 A102M80-R100 HydrophobicContact CG-CG 3.73Å; M80-R100 HydrophobicContact SD-CG 3.73Å; R100-A102 VanDerWaalsContact C-N 3.29Å; R100-A102 PolarHBondContact O-N 3.45Å
101D79.6Confident89.7Confident38 Ų3818.5 Ų18.520%0.20310%0.095CC..THydrogen-bonded Turntrans67.524.4176.6-47.9-55.1000114.5E125 Y156 R1383D101-E125 HydrophobicContact CB-CG 4.07Å; D101-E125 WeakPolarHBondContact CB-OE1 3.35Å; D101-E125 WeakPolarHBondContact O-CG 3.4Å; D101-Y156 PolarHBondContact O-OH 3.36Å; D101-R1383 IonicContact OD1-NH1 3.67Å; D101-R1383 IonicContact OD2-CZ 3.4Å; D101-R1383 VanDerWaalsContact OD2-CZ 3.27Å; D101-R1383 IonicContact OD2-NH1 3.47Å; D101-R1383 PolarHBondContact OD2-NH1 3.1Å; D101-R1383 IonicContact OD2-NH2 3.34Å; D101-R1383 PolarHBondContact OD2-NH2 3.34Å; D101-R1383 VanDerWaalsContact OD2-NH2 3.11Å
102A84Confident90Very high4 Ų417.6 Ų17.63%0.0338%0.083CC..THydrogen-bonded Turntrans64.447.5177.300000113.5R100 F124 L153 V155 Y156R100-A102 VanDerWaalsContact C-N 3.29Å; R100-A102 PolarHBondContact O-N 3.45Å; A102-F124 HydrophobicContact CB-CB 3.9Å; A102-F124 WeakPolarHBondContact O-CB 3.29Å; A102-F124 WeakPolarHBondContact O-CD2 3.17Å; A102-F124 PolarHBondContact O-N 3.06Å; A102-L153 HydrophobicContact CB-CD1 4.23Å; A102-V155 HydrophobicContact CB-CB 4.47Å; A102-V155 HydrophobicContact CB-CG1 3.93Å; A102-V155 HydrophobicContact CB-CG2 4.28Å; A102-Y156 HydrophobicContact CB-CE1 4.43Å
103K90.4Very high89.8Confident26 Ų2618.1 Ų18.111%0.1139%0.09CC..EExtended strand (participates in β ladder)trans-108.2138.4172-74.7175161.4138.70110.7F99 H122 C123 E125 L1374F99-K103 HydrophobicContact CB-CB 4.11Å; F99-K103 PolarHBondContact N-O 3.17Å; K103-H122 WeakPolarHBondContact CA-O 3.29Å; K103-C123 HydrophobicContact CG-CB 4.38Å; K103-E125 WeakPolarHBondContact CD-OE1 3.28Å; K103-E125 WeakPolarHBondContact CE-OE1 3.22Å; K103-E125 WeakPolarHBondContact CE-OE2 3.22Å; K103-E125 HydrophobicContact CG-CG 4.3Å; K103-E125 IonicContact NZ-OE1 3.18Å; K103-E125 PolarHBondContact NZ-OE1 3.28Å; K103-E125 IonicContact NZ-OE2 3.56Å; K103-E125 PolarHBondContact NZ-OE2 3.44Å; K103-L1374 HydrophobicContact CD-CD2 4.39Å
104I92.5Very high89.6Confident0 Ų017.7 Ų17.70%09%0.087CC..EExtended strand (participates in β ladder)trans-129.2122.6172.7-60.6-171000109.4A96 L97 H122 F140 M142 I151 L153 I163A96-I104 HydrophobicContact CB-CG2 4.5Å; L97-I104 CarbonylContact O-C 3.43Å; L97-I104 VanDerWaalsContact O-CA 3.31Å; L97-I104 WeakPolarHBondContact O-CA 3.27Å; I104-H122 PolarHBondContact N-O 2.92Å; I104-H122 PolarHBondContact O-N 3.18Å; I104-F140 HydrophobicContact CG1-CZ 4.44Å; I104-M142 HydrophobicContact CD1-CG 4.22Å; I104-M142 HydrophobicContact CD1-SD 3.8Å; I104-M142 HydrophobicContact CG1-SD 4.32Å; I104-I151 HydrophobicContact CD1-CG2 4Å; I104-L153 HydrophobicContact CD1-CB 4.07Å; I104-L153 HydrophobicContact CD1-CD1 4.04Å; I104-L153 HydrophobicContact CD1-CD2 3.41Å; I104-L153 VanDerWaalsContact CD1-CD2 3.41Å; I104-L153 HydrophobicContact CD1-CG 4.01Å; I104-L153 HydrophobicContact CG1-CD1 4.34Å; I104-L153 HydrophobicContact CG1-CD2 4.35Å; I104-I163 HydrophobicContact CB-CD1 3.93Å; I104-I163 HydrophobicContact CD1-CD1 3.78Å; I104-I163 HydrophobicContact CG1-CD1 4.33Å; I104-I163 HydrophobicContact CG2-CD1 3.96Å
105G92.1Very high89.5Confident0 Ų019.4 Ų19.40%010%0.099CC..EExtended strand (participates in β ladder)trans-106.6125.9170.500000110.3L97L97-G105 PolarHBondContact N-O 3.49Å; L97-G105 PolarHBondContact O-N 3.29Å
106V92.6Very high89.4Confident1 Ų119.9 Ų19.91%0.00610%0.101CC..EExtended strand (participates in β ladder)trans-96.1123170.5-176.20000108.2L85 L87 A94 L95 L119 T120 F165L85-V106 HydrophobicContact CD1-CG1 3.85Å; L85-V106 HydrophobicContact CD1-CG2 4.3Å; L87-V106 HydrophobicContact CD1-CG1 4.49Å; A94-V106 HydrophobicContact CB-CG1 4.35Å; L95-V106 CarbonylContact O-C 3.4Å; L95-V106 WeakPolarHBondContact O-CA 3.33Å; V106-L119 HydrophobicContact CG1-CB 4.35Å; V106-L119 HydrophobicContact CG1-CD1 4.25Å; V106-L119 PolarHBondContact O-N 2.64Å; V106-T120 PolarHBondContact N-O 3.2Å; V106-T120 PolarHBondContact O-N 3.42Å; V106-F165 HydrophobicContact CG2-CE1 4.43Å; V106-F165 HydrophobicContact CG2-CZ 4.21Å
107I93.1Very high89.2Confident0 Ų024.2 Ų24.20%012%0.12CC..EExtended strand (participates in β ladder)trans-118.1146.3179.864.3172000110.5L38 A94 L95 L97 F116 K117 V1371 A1372L38-I107 HydrophobicContact CD2-CD1 3.72Å; A94-I107 WeakPolarHBondContact CB-O 3.38Å; L95-I107 HydrophobicContact CB-CD1 4.33Å; L95-I107 HydrophobicContact CB-CG1 3.8Å; L95-I107 HydrophobicContact CD1-CD1 4.32Å; L95-I107 PolarHBondContact N-O 3.44Å; L95-I107 PolarHBondContact O-N 3.05Å; L97-I107 HydrophobicContact CD1-CD1 3.68Å; L97-I107 HydrophobicContact CD1-CG1 4.29Å; L97-I107 HydrophobicContact CG-CD1 4.22Å; L97-I107 HydrophobicContact CG-CG1 4.43Å; I107-F116 HydrophobicContact CD1-CB 4.24Å; I107-F116 HydrophobicContact CD1-CD1 3.89Å; I107-F116 HydrophobicContact CD1-CD2 4.23Å; I107-F116 HydrophobicContact CD1-CE1 4.27Å; I107-F116 HydrophobicContact CD1-CG 3.87Å; I107-F116 HydrophobicContact CG1-CD1 4.4Å; I107-K117 WeakPolarHBondContact CA-O 3.39Å; I107-V1371 HydrophobicContact CG2-CG1 4.29Å; I107-A1372 HydrophobicContact CG2-CB 4Å
108G90.8Very high88.9Confident0 Ų026.2 Ų26.20%013%0.132CC..EExtended strand (participates in β ladder)trans-126.9158.3174.300000110.5Y90 K117Y90-G108 WeakPolarHBondContact OH-CA 3.11Å; G108-K117 PolarHBondContact N-O 3.01Å; G108-K117 PolarHBondContact O-N 3.01Å
109Y91.2Very high88.6Confident12 Ų1228.8 Ų28.85%0.04715%0.145CC..EExtended strand (participates in β ladder)trans-78.6125.8173.4173.2-103.7000110.6L22 L23 P24 Y90 E111 H114L22-Y109 VanDerWaalsContact O-CB 3.25Å; L22-Y109 WeakPolarHBondContact O-CB 3.2Å; L23-Y109 HydrophobicContact CD2-CD1 4.33Å; L23-Y109 HydrophobicContact CD2-CD2 3.55Å; L23-Y109 HydrophobicContact CD2-CE1 4.24Å; L23-Y109 HydrophobicContact CD2-CE2 3.45Å; L23-Y109 VanDerWaalsContact CD2-CE2 3.45Å; L23-Y109 HydrophobicContact CD2-CG 4Å; P24-Y109 VanDerWaalsContact CD-CE1 3.41Å; P24-Y109 HydrophobicContact CG-CE1 4.01Å; Y90-Y109 PolarHBondContact OH-N 2.88Å; Y90-Y109 PolarHBondContact OH-O 3.45Å; Y109-E111 HydrophobicContact CD1-CG 4.18Å; Y109-E111 HydrophobicContact CE1-CB 4.35Å; Y109-E111 HydrophobicContact CE1-CG 3.89Å; Y109-H114 AromaticContact CE2-ND1 3.61Å; Y109-H114 AromaticContact CZ-ND1 3.59Å; Y109-H114 PolarHBondContact OH-ND1 3.19Å
110D87Confident88.4Confident29 Ų2930.1 Ų30.116%0.15515%0.154CC..EExtended strand (participates in β ladder)trans-92.9115.2172.7176.540.7000110.7M112 G113 H114 C115 K117D110-M112 PolarHBondContact O-N 3.16Å; D110-M112 PolarHBondContact OD1-N 3.31Å; D110-G113 PolarHBondContact OD2-N 2.91Å; D110-H114 WeakPolarHBondContact O-CA 3.33Å; D110-H114 PolarHBondContact O-N 3.01Å; D110-C115 PolarHBondContact N-O 3.11Å; D110-K117 HydrophobicContact CB-CB 4.12Å
111E84.2Confident88.7Confident88 Ų8830 Ų3041%0.41116%0.159SC..THydrogen-bonded Turntrans-65.9-27.5179.6-60.8-172.3165.700112.8Y109 F892Y109-E111 HydrophobicContact CD1-CG 4.18Å; Y109-E111 HydrophobicContact CE1-CB 4.35Å; Y109-E111 HydrophobicContact CE1-CG 3.89Å; E111-F892 WeakPolarHBondContact O-CE2 3.3Å
112M84.6Confident89.2Confident76 Ų7629 Ų2937%0.37415%0.153SC..THydrogen-bonded Turntrans-77.2-39.7-176.5-70-155.8-179.700113.1D110 I184 F892 R906D110-M112 PolarHBondContact O-N 3.16Å; D110-M112 PolarHBondContact OD1-N 3.31Å; M112-I184 HydrophobicContact CE-CD1 3.75Å; M112-F892 WeakPolarHBondContact O-CZ 3.39Å; M112-R906 PolarHBondContact O-NH1 2.69Å
113G85.1Confident89.5Confident18 Ų1832.1 Ų32.119%0.18617%0.173CC..THydrogen-bonded Turntrans-101.2-518000000115.3D110 C115D110-G113 PolarHBondContact OD2-N 2.91Å; G113-C115 VanDerWaalsContact C-N 3.27Å; G113-C115 PolarHBondContact O-N 2.83Å
114H89.9Confident89.4Confident3 Ų331.6 Ų31.61%0.01417%0.171CC..THydrogen-bonded Turntrans49.548.2-173.8-172.471.1000111.8L71 Y109 D110 F892 K908L71-H114 WeakPolarHBondContact CD1-O 3.37Å; Y109-H114 AromaticContact CE2-ND1 3.61Å; Y109-H114 AromaticContact CZ-ND1 3.59Å; Y109-H114 PolarHBondContact OH-ND1 3.19Å; D110-H114 WeakPolarHBondContact O-CA 3.33Å; D110-H114 PolarHBondContact O-N 3.01Å; H114-F892 HydrophobicContact CB-CB 4.43Å; H114-F892 HydrophobicContact CB-CD1 3.8Å; H114-F892 HydrophobicContact CB-CD2 3.79Å; H114-F892 HydrophobicContact CB-CE1 3.86Å; H114-F892 HydrophobicContact CB-CE2 3.83Å; H114-F892 HydrophobicContact CB-CG 3.75Å; H114-F892 HydrophobicContact CB-CZ 3.85Å; H114-F892 AromaticContact CG-CG 3.98Å; H114-K908 HydrophobicContact CB-CD 4.12Å; H114-K908 WeakPolarHBondContact O-CD 3.1Å; H114-K908 WeakPolarHBondContact O-CE 3.21Å; H114-K908 PolarHBondContact O-NZ 3.04Å
115C90.4Very high88.9Confident36 Ų3635.6 Ų35.624%0.24319%0.19CC..EExtended strand (participates in β ladder)trans-147170.1-174.466.70000111.1E73 D110 G113E73-C115 WeakPolarHBondContact OE1-CA 3.4Å; E73-C115 WeakPolarHBondContact OE1-CB 3.32Å; D110-C115 PolarHBondContact N-O 3.11Å; G113-C115 VanDerWaalsContact C-N 3.27Å; G113-C115 PolarHBondContact O-N 2.83Å
116F92.1Very high88.6Confident11 Ų1139 Ų395%0.04821%0.208CC..EExtended strand (participates in β ladder)trans-79.3133.7171.3-67.3-60.1000111.8L22 L38 V40 L71 E73 L95 I107 V1371L22-F116 HydrophobicContact CD1-CE1 4.1Å; L22-F116 HydrophobicContact CD2-CE1 3.47Å; L22-F116 VanDerWaalsContact CD2-CE1 3.47Å; L22-F116 HydrophobicContact CD2-CZ 3.52Å; L22-F116 HydrophobicContact CG-CE1 4Å; L38-F116 HydrophobicContact CD2-CD2 3.88Å; L38-F116 HydrophobicContact CD2-CE2 3.4Å; L38-F116 VanDerWaalsContact CD2-CE2 3.4Å; L38-F116 HydrophobicContact CD2-CZ 3.9Å; L38-F116 HydrophobicContact CG-CE2 4.12Å; V40-F116 HydrophobicContact CG2-CE2 4.18Å; V40-F116 HydrophobicContact CG2-CZ 3.64Å; L71-F116 HydrophobicContact CD2-CD1 4.38Å; L71-F116 HydrophobicContact CD2-CD2 3.85Å; L71-F116 HydrophobicContact CD2-CE1 4.01Å; L71-F116 HydrophobicContact CD2-CE2 3.42Å; L71-F116 VanDerWaalsContact CD2-CE2 3.42Å; L71-F116 HydrophobicContact CD2-CG 4.31Å; L71-F116 HydrophobicContact CD2-CZ 3.53Å; L71-F116 HydrophobicContact CG-CE2 4.26Å; E73-F116 HydrophobicContact CB-CD2 4.3Å; E73-F116 HydrophobicContact CG-CD2 4.16Å; E73-F116 PolarHBondContact OE1-N 3.38Å; E73-F116 WeakPolarHBondContact OE2-CB 3.28Å; E73-F116 VanDerWaalsContact OE2-CD2 3.28Å; E73-F116 WeakPolarHBondContact OE2-CD2 3.42Å; E73-F116 PolarHBondContact OE2-N 2.81Å; L95-F116 HydrophobicContact CD1-CE1 4.42Å; L95-F116 HydrophobicContact CD1-CZ 4.49Å; I107-F116 HydrophobicContact CD1-CB 4.24Å; I107-F116 HydrophobicContact CD1-CD1 3.89Å; I107-F116 HydrophobicContact CD1-CD2 4.23Å; I107-F116 HydrophobicContact CD1-CE1 4.27Å; I107-F116 HydrophobicContact CD1-CG 3.87Å; I107-F116 HydrophobicContact CG1-CD1 4.4Å; F116-V1371 HydrophobicContact CB-CG1 3.94Å
117K88.8Confident88Confident91 Ų9143.7 Ų43.740%0.39623%0.23SC..EExtended strand (participates in β ladder)trans-112.4134.1170.7-173.8176.3178.5-177.90109.6I107 G108 D110 L119 F185I107-K117 WeakPolarHBondContact CA-O 3.39Å; G108-K117 PolarHBondContact N-O 3.01Å; G108-K117 PolarHBondContact O-N 3.01Å; D110-K117 HydrophobicContact CB-CB 4.12Å; K117-L119 PolarHBondContact O-N 2.74Å; K117-F185 HydrophobicContact CD-CE2 4.4Å; K117-F185 HydrophobicContact CD-CZ 4.45Å
118T89.7Confident87.7Confident41 Ų4150.1 Ų50.125%0.25226%0.263SS..EExtended strand (participates in β ladder)trans-70.1119.5171.9-50.40000109.4A1372 G1373T118-A1372 VanDerWaalsContact OG1-CA 3.29Å; T118-A1372 WeakPolarHBondContact OG1-CA 3.27Å; T118-A1372 PolarHBondContact OG1-N 3.1Å; T118-G1373 PolarHBondContact OG1-N 3.46Å; T118-G1373 VanDerWaalsContact OG1-N 3.13Å
119L87.3Confident87.4Confident54 Ų5451.5 Ų51.528%0.28327%0.27SS..EExtended strand (participates in β ladder)trans-85.9-53.4175.5-59.8-179.3000110.2L87 Y90 A94 V106 K117L87-L119 HydrophobicContact CD1-CD1 4.1Å; Y90-L119 HydrophobicContact CE2-CD1 4.43Å; Y90-L119 HydrophobicContact CE2-CD2 4.3Å; A94-L119 HydrophobicContact CB-CD1 4.11Å; V106-L119 HydrophobicContact CG1-CB 4.35Å; V106-L119 HydrophobicContact CG1-CD1 4.25Å; V106-L119 PolarHBondContact O-N 2.64Å; K117-L119 PolarHBondContact O-N 2.74Å
120T88Confident86.9Confident34 Ų3453 Ų5321%0.20928%0.277CS..EExtended strand (participates in β ladder)trans-144.6154.9177.469.40000111.4V106 H122 A190V106-T120 PolarHBondContact N-O 3.2Å; V106-T120 PolarHBondContact O-N 3.42Å; T120-H122 PolarHBondContact OG1-NE2 3.38Å; T120-H122 VanDerWaalsContact OG1-NE2 3.15Å; T120-A190 HydrophobicContact CG2-CB 3.89Å
121L89.2Confident86.5Confident69 Ų6957.1 Ų57.136%0.36130%0.295SS..EExtended strand (participates in β ladder)trans-131.2124.3174173.564.8000108.7
122H90.4Very high86Confident17 Ų1756.2 Ų56.28%0.07931%0.309CS..EExtended strand (participates in β ladder)trans-115.3118.2177.8-60.9-94.3000108.8K103 I104 T120 F124 I163 S193K103-H122 WeakPolarHBondContact CA-O 3.29Å; I104-H122 PolarHBondContact N-O 2.92Å; I104-H122 PolarHBondContact O-N 3.18Å; T120-H122 PolarHBondContact OG1-NE2 3.38Å; T120-H122 VanDerWaalsContact OG1-NE2 3.15Å; H122-F124 HydrophobicContact CB-CE2 4.09Å; H122-I163 HydrophobicContact CB-CD1 3.78Å; H122-I163 HydrophobicContact CB-CG1 4.42Å; H122-S193 WeakPolarHBondContact ND1-CB 3.47Å; H122-S193 PolarHBondContact ND1-OG 3.28Å
123C89.5Confident85.2Confident69 Ų6954.6 Ų54.647%0.46631%0.305SS..EExtended strand (participates in β ladder)trans-114.5117.8179-62.40000109.2K103 E125K103-C123 HydrophobicContact CG-CB 4.38Å; C123-E125 VanDerWaalsContact C-N 3.34Å
124F89.2Confident84.1Confident14 Ų1459 Ų596%0.06132%0.321CS..  trans-100.924.2174.4-57.8-86.9000111.9A102 H122 D126 L129 L153 V155 Y156 I163 V195A102-F124 HydrophobicContact CB-CB 3.9Å; A102-F124 WeakPolarHBondContact O-CB 3.29Å; A102-F124 WeakPolarHBondContact O-CD2 3.17Å; A102-F124 PolarHBondContact O-N 3.06Å; H122-F124 HydrophobicContact CB-CE2 4.09Å; F124-D126 VanDerWaalsContact C-N 3.25Å; F124-D126 PolarHBondContact O-N 2.97Å; F124-L129 HydrophobicContact CB-CD1 4.46Å; F124-L153 HydrophobicContact CD2-CD1 4.14Å; F124-L153 HydrophobicContact CD2-CD2 4.09Å; F124-L153 HydrophobicContact CE2-CD1 4.39Å; F124-L153 HydrophobicContact CE2-CD2 3.52Å; F124-L153 HydrophobicContact CZ-CD2 4.06Å; F124-V155 HydrophobicContact CB-CG1 3.99Å; F124-V155 HydrophobicContact CB-CG2 4.09Å; F124-V155 HydrophobicContact CD1-CG2 4.49Å; F124-V155 HydrophobicContact CD2-CG2 4.41Å; F124-V155 HydrophobicContact CG-CG2 4.1Å; F124-Y156 WeakPolarHBondContact O-CE2 3.48Å; F124-Y156 PolarHBondContact O-OH 2.97Å; F124-I163 HydrophobicContact CE2-CD1 4.31Å; F124-I163 HydrophobicContact CE2-CG1 4.42Å; F124-I163 HydrophobicContact CZ-CG1 4.19Å; F124-V195 HydrophobicContact CD1-CG2 3.6Å; F124-V195 HydrophobicContact CE1-CG2 3.68Å
125E82.8Confident82.7Confident85 Ų8563.8 Ų63.840%0.39735%0.346SS..  trans-72.274.6176.9-70.4-177.6166.900111.6D101 K103 C123 Y156D101-E125 HydrophobicContact CB-CG 4.07Å; D101-E125 WeakPolarHBondContact CB-OE1 3.35Å; D101-E125 WeakPolarHBondContact O-CG 3.4Å; K103-E125 WeakPolarHBondContact CD-OE1 3.28Å; K103-E125 WeakPolarHBondContact CE-OE1 3.22Å; K103-E125 WeakPolarHBondContact CE-OE2 3.22Å; K103-E125 HydrophobicContact CG-CG 4.3Å; K103-E125 IonicContact NZ-OE1 3.18Å; K103-E125 PolarHBondContact NZ-OE1 3.28Å; K103-E125 IonicContact NZ-OE2 3.56Å; K103-E125 PolarHBondContact NZ-OE2 3.44Å; C123-E125 VanDerWaalsContact C-N 3.34Å; E125-Y156 WeakPolarHBondContact CA-OH 3.48Å
126D83.8Confident81Confident71 Ų7163.5 Ų63.538%0.3834%0.344SS..  trans-120.5127.9175.3-167.3-17.9000110.5F124 I128 L129 K130F124-D126 VanDerWaalsContact C-N 3.25Å; F124-D126 PolarHBondContact O-N 2.97Å; D126-I128 PolarHBondContact O-N 2.74Å; D126-I128 WeakPolarHBondContact OD1-CB 3.19Å; D126-I128 WeakPolarHBondContact OD1-CG1 3.5Å; D126-I128 PolarHBondContact OD1-N 3.47Å; D126-L129 HydrophobicContact CB-CB 4.25Å; D126-L129 HydrophobicContact CB-CD1 3.97Å; D126-L129 HydrophobicContact CB-CG 3.94Å; D126-L129 PolarHBondContact O-N 2.91Å; D126-L129 VanDerWaalsContact O-N 3.16Å; D126-K130 PolarHBondContact O-N 2.97Å; D126-K130 VanDerWaalsContact O-N 3.15Å
127E81.1Confident79.1Confident100 Ų10065.9 Ų65.947%0.46736%0.361SS..Hα-helixtrans-62.9-26.8176.3-70-70.812400112K130 K1387E127-K130 PolarHBondContact O-N 2.82Å; E127-K130 IonicContact OE1-NZ 3.63Å; E127-K130 PolarHBondContact OE1-NZ 2.79Å; E127-K1387 IonicContact OE2-NZ 2.64Å; E127-K1387 PolarHBondContact OE2-NZ 2.94Å
128I85.6Confident77.5Confident134 Ų13466.3 Ų66.369%0.68738%0.376SS*.Hα-helixtrans-65.7-45.8174.5-60.4172000109.8D126 K130 E131D126-I128 PolarHBondContact O-N 2.74Å; D126-I128 WeakPolarHBondContact OD1-CB 3.19Å; D126-I128 WeakPolarHBondContact OD1-CG1 3.5Å; D126-I128 PolarHBondContact OD1-N 3.47Å; I128-K130 VanDerWaalsContact C-N 3.27Å; I128-K130 PolarHBondContact O-N 3.1Å; I128-E131 WeakPolarHBondContact O-CG 3.45Å; I128-E131 PolarHBondContact O-N 2.97Å
129L85.1Confident76.3Confident29 Ų2968.3 Ų68.315%0.15238%0.383CS..Hα-helixtrans-68-26.6178.7-65.2177.9000112.7F124 D126 E131 V155 Y156 H159 V195F124-L129 HydrophobicContact CB-CD1 4.46Å; D126-L129 HydrophobicContact CB-CB 4.25Å; D126-L129 HydrophobicContact CB-CD1 3.97Å; D126-L129 HydrophobicContact CB-CG 3.94Å; D126-L129 PolarHBondContact O-N 2.91Å; D126-L129 VanDerWaalsContact O-N 3.16Å; L129-E131 VanDerWaalsContact C-N 3.27Å; L129-E131 PolarHBondContact O-N 3.45Å; L129-V155 HydrophobicContact CB-CG1 4.47Å; L129-V155 HydrophobicContact CD1-CG1 4.29Å; L129-Y156 HydrophobicContact CB-CD2 3.87Å; L129-Y156 HydrophobicContact CB-CE2 3.98Å; L129-Y156 WeakPolarHBondContact O-CD2 3.24Å; L129-H159 PolarHBondContact O-CD2 3.31Å; L129-H159 VanDerWaalsContact O-CD2 3.23Å; L129-H159 PolarHBondContact O-NE2 3.25Å; L129-V195 HydrophobicContact CD1-CG2 4.29Å; L129-V195 HydrophobicContact CD2-CG1 4.01Å
130K80.3Confident76.1Confident45 Ų4567.3 Ų67.320%0.19638%0.376CS..Hα-helixtrans-66.3-31.6175.2-72.4-178.4-173.3168.40111.9D126 E127 I128 G132 C133 Y156D126-K130 PolarHBondContact O-N 2.97Å; D126-K130 VanDerWaalsContact O-N 3.15Å; E127-K130 PolarHBondContact O-N 2.82Å; E127-K130 IonicContact OE1-NZ 3.63Å; E127-K130 PolarHBondContact OE1-NZ 2.79Å; I128-K130 VanDerWaalsContact C-N 3.27Å; I128-K130 PolarHBondContact O-N 3.1Å; K130-G132 PolarHBondContact O-N 3.04Å; K130-C133 WeakPolarHBondContact O-CB 3.49Å; K130-C133 PolarHBondContact O-N 3.31Å; K130-Y156 HydrophobicContact CB-CD2 4.25Å; K130-Y156 HydrophobicContact CB-CE2 4.45Å; K130-Y156 HydrophobicContact CD-CE1 4.43Å; K130-Y156 HydrophobicContact CG-CD1 3.97Å; K130-Y156 HydrophobicContact CG-CD2 3.61Å; K130-Y156 HydrophobicContact CG-CE1 3.84Å; K130-Y156 HydrophobicContact CG-CE2 3.43Å; K130-Y156 VanDerWaalsContact CG-CE2 3.43Å; K130-Y156 HydrophobicContact CG-CG 3.89Å
131E78.9Confident76.2Confident114 Ų11467 Ų6753%0.53337%0.373SS..THydrogen-bonded Turntrans46.636.4-174-60.4-173.8173.400113.3I128 L129 K158 H159I128-E131 WeakPolarHBondContact O-CG 3.45Å; I128-E131 PolarHBondContact O-N 2.97Å; L129-E131 VanDerWaalsContact C-N 3.27Å; L129-E131 PolarHBondContact O-N 3.45Å; E131-K158 HydrophobicContact CB-CD 4.26Å; E131-K158 HydrophobicContact CG-CD 4.43Å; E131-K158 WeakPolarHBondContact OE2-CD 3.37Å; E131-K158 WeakPolarHBondContact OE2-CE 3.32Å; E131-K158 IonicContact OE2-NZ 3.94Å; E131-K158 PolarHBondContact OE2-NZ 2.79Å; E131-H159 IonicContact OE1-CE1 3.55Å; E131-H159 IonicContact OE1-NE2 3.53Å
132G73.5Confident76.5Confident69 Ų6965 Ų6571%0.71136%0.362SS*.THydrogen-bonded Turntrans79.77.2-176.200000116.3K130 E134K130-G132 PolarHBondContact O-N 3.04Å; G132-E134 PolarHBondContact O-N 3.06Å
133C68.2Low76.7Confident42 Ų4265.1 Ų65.128%0.28437%0.365SS..  trans-69.9114.1174.4-170.90000111.2K130K130-C133 WeakPolarHBondContact O-CB 3.49Å; K130-C133 PolarHBondContact O-N 3.31Å
134E63Low76.9Confident110 Ų11062.7 Ų62.751%0.51435%0.35SS..  trans-94.9-28.3178.9-65.8-172.7154.900112.9G132 V136 R1385G132-E134 PolarHBondContact O-N 3.06Å; E134-V136 PolarHBondContact O-N 3.22Å; E134-V136 VanDerWaalsContact O-N 3.09Å; E134-R1385 VanDerWaalsContact CD-O 3.23Å
135N60.7Low77.2Confident104 Ų10462.1 Ų62.156%0.55635%0.347SS*.  trans-88.171.3-179.8-79.4-17.8000111.7
136V54.3Low77.6Confident31 Ų3160.1 Ų60.119%0.18834%0.342CS..  trans-78.2-29.8-175.2176.40000113.3E134 Y156E134-V136 PolarHBondContact O-N 3.22Å; E134-V136 VanDerWaalsContact O-N 3.09Å; V136-Y156 HydrophobicContact CB-CD1 4.23Å; V136-Y156 HydrophobicContact CB-CE1 4.42Å; V136-Y156 HydrophobicContact CG1-CD1 3.62Å; V136-Y156 HydrophobicContact CG1-CE1 3.62Å; V136-Y156 HydrophobicContact CG2-CD1 3.65Å; V136-Y156 HydrophobicContact CG2-CE1 3.88Å
137S51.9Low77.9Confident60 Ų6061.5 Ų61.542%0.4235%0.346SS..G310 helixtrans-81.2-22.2-16060.40000116.4Q139S137-Q139 VanDerWaalsContact C-N 3.29Å; S137-Q139 PolarHBondContact O-N 2.94Å
138S55.2Low78.4Confident100 Ų10057.1 Ų57.170%0.69933%0.326SS*.G310 helixtrans-79.8-8-170.972.20000114.3
139Q64.1Low78.7Confident84 Ų8453 Ų5339%0.39330%0.302SS..G310 helixtrans-140.853.4-174.8-66.8-179.9-17.300112.1S137 L141S137-Q139 VanDerWaalsContact C-N 3.29Å; S137-Q139 PolarHBondContact O-N 2.94Å; Q139-L141 PolarHBondContact O-N 3.32Å
140F83.1Confident79.1Confident33 Ų3351.6 Ų51.615%0.14530%0.295CS..  trans-78.5100.8165.7-173.4-86.7000108.8M80 A81 G98 F99 I104 M142 L153M80-F140 HydrophobicContact CB-CB 4.26Å; M80-F140 HydrophobicContact CB-CD1 3.78Å; M80-F140 HydrophobicContact CB-CE1 4.43Å; M80-F140 HydrophobicContact CB-CG 4.07Å; A81-F140 HydrophobicContact CB-CD1 4.05Å; A81-F140 HydrophobicContact CB-CE1 3.86Å; G98-F140 VanDerWaalsContact CA-CZ 3.47Å; F99-F140 WeakPolarHBondContact O-CD2 3.48Å; F99-F140 WeakPolarHBondContact O-CE2 3.38Å; I104-F140 HydrophobicContact CG1-CZ 4.44Å; F140-M142 HydrophobicContact CD1-CB 4.46Å; F140-M142 HydrophobicContact CE1-CB 3.73Å; F140-M142 HydrophobicContact CE1-SD 4.32Å; F140-M142 HydrophobicContact CZ-CB 4.36Å; F140-L153 HydrophobicContact CE2-CD1 4.21Å; F140-L153 HydrophobicContact CZ-CD1 4.46Å
141L91.1Very high79.8Confident26 Ų2649.5 Ų49.514%0.13629%0.286CS..  trans-109.4126.7179.1-60173.7000109.3Q139 L153 I154 V208 A209 I211Q139-L141 PolarHBondContact O-N 3.32Å; L141-L153 CarbonylContact O-C 3.54Å; L141-L153 WeakPolarHBondContact O-CA 3.21Å; L141-L153 WeakPolarHBondContact O-CB 3.49Å; L141-I154 HydrophobicContact CB-CB 4.22Å; L141-I154 HydrophobicContact CB-CG1 4Å; L141-I154 HydrophobicContact CD1-CG1 4.15Å; L141-I154 PolarHBondContact O-N 3.37Å; L141-V208 HydrophobicContact CD1-CB 4.5Å; L141-V208 HydrophobicContact CD1-CG1 3.95Å; L141-A209 WeakPolarHBondContact CD1-O 3.39Å; L141-I211 HydrophobicContact CB-CD1 4.29Å; L141-I211 HydrophobicContact CB-CG1 4.11Å
142M93.8Very high80.6Confident27 Ų2744 Ų4413%0.13326%0.26CS..EExtended strand (participates in β ladder)trans-141133.3-179.4-178.2-174.882.800109.4A81 A83 A96 I104 F140 I151 A152 L153A81-M142 HydrophobicContact CB-CB 3.98Å; A81-M142 HydrophobicContact CB-CE 3.75Å; A81-M142 HydrophobicContact CB-SD 4.46Å; A83-M142 HydrophobicContact CB-CE 4.04Å; A96-M142 HydrophobicContact CB-CE 4.44Å; I104-M142 HydrophobicContact CD1-CG 4.22Å; I104-M142 HydrophobicContact CD1-SD 3.8Å; I104-M142 HydrophobicContact CG1-SD 4.32Å; F140-M142 HydrophobicContact CD1-CB 4.46Å; F140-M142 HydrophobicContact CE1-CB 3.73Å; F140-M142 HydrophobicContact CE1-SD 4.32Å; F140-M142 HydrophobicContact CZ-CB 4.36Å; M142-I151 HydrophobicContact CG-CG2 3.78Å; M142-I151 HydrophobicContact SD-CG2 4.31Å; M142-A152 WeakPolarHBondContact CA-O 3.36Å; M142-L153 HydrophobicContact CB-CB 4.42Å
143S95Very high81.6Confident21 Ų2140.8 Ų40.815%0.14723%0.226CC..EExtended strand (participates in β ladder)trans-137144.8173.7-165.20000110.2A152 F213S143-A152 PolarHBondContact N-O 3.2Å; S143-A152 PolarHBondContact O-N 2.86Å; S143-F213 WeakPolarHBondContact O-CE2 3.39Å
144A94.9Very high82.7Confident18 Ų1839 Ų3915%0.14921%0.214CC..EExtended strand (participates in β ladder)trans-107.8141.3173.100000109.3A83 L85 I151 F213A83-A144 HydrophobicContact CB-CB 3.64Å; L85-A144 HydrophobicContact CD2-CB 4.04Å; A144-I151 HydrophobicContact CB-CG1 4.13Å; A144-F213 WeakPolarHBondContact O-CD2 3.08Å
145D94.9Very high84Confident2 Ų233.8 Ų33.81%0.01119%0.19CC..  trans-61.1137.2174.3173.570.1000110.5E147 S148 R149 C150 F213 P220D145-E147 PolarHBondContact O-N 3.45Å; D145-E147 VanDerWaalsContact O-N 3.1Å; D145-E147 WeakPolarHBondContact OD2-CA 3.36Å; D145-E147 WeakPolarHBondContact OD2-CB 3.16Å; D145-E147 PolarHBondContact OD2-N 2.89Å; D145-S148 WeakPolarHBondContact O-CA 3.48Å; D145-S148 PolarHBondContact O-N 3.35Å; D145-S148 PolarHBondContact OD2-N 3.3Å; D145-R149 IonicContact OD1-CZ 3.5Å; D145-R149 IonicContact OD1-NE 3.42Å; D145-R149 IonicContact OD1-NH2 2.6Å; D145-R149 PolarHBondContact OD1-NH2 3.24Å; D145-R149 WeakPolarHBondContact OD2-CB 3.29Å; D145-R149 WeakPolarHBondContact OD2-CG 3.38Å; D145-R149 IonicContact OD2-CZ 2.8Å; D145-R149 PolarHBondContact OD2-N 3.09Å; D145-R149 IonicContact OD2-NE 3.52Å; D145-R149 PolarHBondContact OD2-NE 2.92Å; D145-R149 IonicContact OD2-NH2 3.65Å; D145-R149 PolarHBondContact OD2-NH2 3.16Å; D145-C150 WeakPolarHBondContact CB-O 3.27Å; D145-C150 PolarHBondContact N-O 3.06Å; D145-F213 HydrophobicContact CB-CD1 4.04Å; D145-F213 HydrophobicContact CB-CD2 4.21Å; D145-F213 HydrophobicContact CB-CE1 4.2Å; D145-F213 HydrophobicContact CB-CE2 4.33Å; D145-F213 HydrophobicContact CB-CG 4.05Å; D145-F213 HydrophobicContact CB-CZ 4.33Å; D145-F213 VanDerWaalsContact N-CD2 3.3Å; D145-P220 HydrophobicContact CB-CB 4.45Å
146P91.7Very high85.2Confident42 Ų4229.4 Ų29.427%0.27317%0.165SC..THydrogen-bonded Turntrans-57.5-27.4-178.2-28.834.4000114.4S148 F213P146-S148 VanDerWaalsContact C-N 3.34Å; P146-F213 VanDerWaalsContact CD-CB 3.46Å; P146-F213 HydrophobicContact CG-CB 4.37Å
147E90.2Very high86.7Confident100 Ų10029 Ų2947%0.46717%0.168SC..THydrogen-bonded Turntrans-94.710.1176.1-60.1-179.3177.100112D145 R149 K278D145-E147 PolarHBondContact O-N 3.45Å; D145-E147 VanDerWaalsContact O-N 3.1Å; D145-E147 WeakPolarHBondContact OD2-CA 3.36Å; D145-E147 WeakPolarHBondContact OD2-CB 3.16Å; D145-E147 PolarHBondContact OD2-N 2.89Å; E147-R149 HydrophobicContact CB-CG 4.17Å; E147-R149 PolarHBondContact O-N 3.46Å; E147-R149 IonicContact OE2-CZ 3.83Å; E147-R149 IonicContact OE2-NE 3.86Å; E147-R149 IonicContact OE2-NH1 3.39Å; E147-R149 PolarHBondContact OE2-NH1 3.44Å; E147-R149 IonicContact OE2-NH2 3.9Å; E147-K278 IonicContact OE1-NZ 3.13Å
148S91.7Very high88.4Confident9 Ų930 Ų306%0.06317%0.165CC..SBendtrans5827.8177.3-56.40000114.8Q86 D145 P146 F165Q86-S148 PolarHBondContact N-OG 2.92Å; Q86-S148 WeakPolarHBondContact O-CB 3.4Å; D145-S148 WeakPolarHBondContact O-CA 3.48Å; D145-S148 PolarHBondContact O-N 3.35Å; D145-S148 PolarHBondContact OD2-N 3.3Å; P146-S148 VanDerWaalsContact C-N 3.34Å; S148-F165 WeakPolarHBondContact O-CD2 3.28Å
149R91.3Very high90.1Very high47 Ų4726.3 Ų26.318%0.17714%0.136CC..SBendtrans-73.2-34.4179.9-63.1171.5-68.3-168.3-3.8112.9D145 E147 F165 F217 H218 L252D145-R149 IonicContact OD1-CZ 3.5Å; D145-R149 IonicContact OD1-NE 3.42Å; D145-R149 IonicContact OD1-NH2 2.6Å; D145-R149 PolarHBondContact OD1-NH2 3.24Å; D145-R149 WeakPolarHBondContact OD2-CB 3.29Å; D145-R149 WeakPolarHBondContact OD2-CG 3.38Å; D145-R149 IonicContact OD2-CZ 2.8Å; D145-R149 PolarHBondContact OD2-N 3.09Å; D145-R149 IonicContact OD2-NE 3.52Å; D145-R149 PolarHBondContact OD2-NE 2.92Å; D145-R149 IonicContact OD2-NH2 3.65Å; D145-R149 PolarHBondContact OD2-NH2 3.16Å; E147-R149 HydrophobicContact CB-CG 4.17Å; E147-R149 PolarHBondContact O-N 3.46Å; E147-R149 IonicContact OE2-CZ 3.83Å; E147-R149 IonicContact OE2-NE 3.86Å; E147-R149 IonicContact OE2-NH1 3.39Å; E147-R149 PolarHBondContact OE2-NH1 3.44Å; E147-R149 IonicContact OE2-NH2 3.9Å; R149-F165 PolarHBondContact O-N 3.36Å; R149-F217 PolarHBondContact NH1-O 2.83Å; R149-F217 VanDerWaalsContact NH1-O 3.14Å; R149-F217 PolarHBondContact NH2-O 3.12Å; R149-H218 PolarHBondContact NH1-O 3.3Å; R149-L252 HydrophobicContact CB-CD1 4.13Å; R149-L252 WeakPolarHBondContact O-CD1 3.3Å
150C93.4Very high91.5Very high0 Ų022.3 Ų22.30%012%0.118CC..EExtended strand (participates in β ladder)trans-158.2167176.567.20000112.5D145 I162 I163 F213 L252D145-C150 WeakPolarHBondContact CB-O 3.27Å; D145-C150 PolarHBondContact N-O 3.06Å; C150-I162 HydrophobicContact CB-CG2 4.27Å; C150-I163 CarbonylContact C-O 3.46Å; C150-I163 WeakPolarHBondContact CA-O 3.43Å; C150-I163 VanDerWaalsContact CB-O 3.31Å; C150-I163 WeakPolarHBondContact CB-O 3.26Å; C150-F213 VanDerWaalsContact SG-CZ 3.59Å; C150-L252 HydrophobicContact CB-CD1 3.93Å; C150-L252 HydrophobicContact CB-CD2 3.95Å
151I95.1Very high92Very high0 Ų020.7 Ų20.70%011%0.111CC..EExtended strand (participates in β ladder)trans-112.9139.7165.6-64.7156.2000108.5L85 A96 I104 M142 A144 I162 I163 F165L85-I151 HydrophobicContact CD1-CD1 3.99Å; L85-I151 HydrophobicContact CD2-CD1 3.98Å; L85-I151 HydrophobicContact CD2-CG1 3.93Å; L85-I151 HydrophobicContact CG-CD1 4.48Å; A96-I151 HydrophobicContact CB-CD1 3.51Å; A96-I151 HydrophobicContact CB-CG1 4.49Å; I104-I151 HydrophobicContact CD1-CG2 4Å; M142-I151 HydrophobicContact CG-CG2 3.78Å; M142-I151 HydrophobicContact SD-CG2 4.31Å; A144-I151 HydrophobicContact CB-CG1 4.13Å; I151-I162 WeakPolarHBondContact O-CA 3.49Å; I151-I163 HydrophobicContact CB-CB 4.31Å; I151-I163 PolarHBondContact N-O 3.48Å; I151-I163 PolarHBondContact O-N 2.92Å; I151-F165 HydrophobicContact CD1-CE2 3.69Å; I151-F165 HydrophobicContact CD1-CZ 3.63Å; I151-F165 HydrophobicContact CG1-CE2 3.88Å; I151-F165 HydrophobicContact CG1-CZ 4.33Å
152A95.4Very high92.2Very high0 Ų019.5 Ų19.50%010%0.104CC..EExtended strand (participates in β ladder)trans-113.1138.9169.400000109.7M142 S143 L160 G161 I211 F213 L222M142-A152 WeakPolarHBondContact CA-O 3.36Å; S143-A152 PolarHBondContact N-O 3.2Å; S143-A152 PolarHBondContact O-N 2.86Å; A152-L160 HydrophobicContact CB-CD1 4.1Å; A152-G161 CarbonylContact C-O 3.45Å; A152-G161 WeakPolarHBondContact CA-O 3.23Å; A152-I211 HydrophobicContact CB-CD1 4.4Å; A152-F213 HydrophobicContact CB-CE2 3.76Å; A152-F213 HydrophobicContact CB-CZ 3.76Å; A152-L222 HydrophobicContact CB-CD1 3.98Å; A152-L222 HydrophobicContact CB-CD2 3.8Å
153L94Very high92.2Very high0 Ų018.2 Ų18.20%010%0.098CC..EExtended strand (participates in β ladder)trans-135.3150.8168.573.5145.7000111.9A102 I104 F124 F140 L141 M142 V155 G161A102-L153 HydrophobicContact CB-CD1 4.23Å; I104-L153 HydrophobicContact CD1-CB 4.07Å; I104-L153 HydrophobicContact CD1-CD1 4.04Å; I104-L153 HydrophobicContact CD1-CD2 3.41Å; I104-L153 VanDerWaalsContact CD1-CD2 3.41Å; I104-L153 HydrophobicContact CD1-CG 4.01Å; I104-L153 HydrophobicContact CG1-CD1 4.34Å; I104-L153 HydrophobicContact CG1-CD2 4.35Å; F124-L153 HydrophobicContact CD2-CD1 4.14Å; F124-L153 HydrophobicContact CD2-CD2 4.09Å; F124-L153 HydrophobicContact CE2-CD1 4.39Å; F124-L153 HydrophobicContact CE2-CD2 3.52Å; F124-L153 HydrophobicContact CZ-CD2 4.06Å; F140-L153 HydrophobicContact CE2-CD1 4.21Å; F140-L153 HydrophobicContact CZ-CD1 4.46Å; L141-L153 CarbonylContact O-C 3.54Å; L141-L153 WeakPolarHBondContact O-CA 3.21Å; L141-L153 WeakPolarHBondContact O-CB 3.49Å; M142-L153 HydrophobicContact CB-CB 4.42Å; L153-V155 HydrophobicContact CD1-CG2 3.71Å; L153-V155 HydrophobicContact CG-CG2 3.86Å; L153-G161 WeakPolarHBondContact CD2-O 3.42Å; L153-G161 PolarHBondContact N-O 2.96Å; L153-G161 PolarHBondContact O-N 3.07Å
154I92.2Very high92Very high5 Ų517.3 Ų17.33%0.0269%0.092CC..EExtended strand (participates in β ladder)trans-84.5120.7167.6-59.5-57000109L141 L160 L198 V208 I211 L224L141-I154 HydrophobicContact CB-CB 4.22Å; L141-I154 HydrophobicContact CB-CG1 4Å; L141-I154 HydrophobicContact CD1-CG1 4.15Å; L141-I154 PolarHBondContact O-N 3.37Å; I154-L160 HydrophobicContact CD1-CD1 4Å; I154-L198 HydrophobicContact CD1-CD1 4.48Å; I154-L198 HydrophobicContact CD1-CD2 4.28Å; I154-V208 HydrophobicContact CD1-CG1 4.24Å; I154-V208 HydrophobicContact CD1-CG2 4.4Å; I154-V208 HydrophobicContact CG1-CB 4.48Å; I154-V208 HydrophobicContact CG1-CG1 4.15Å; I154-I211 HydrophobicContact CD1-CG2 4.05Å; I154-I211 HydrophobicContact CG1-CD1 4.28Å; I154-I211 HydrophobicContact CG1-CG2 3.99Å; I154-L224 HydrophobicContact CD1-CD2 4.33Å
155V89.8Confident91.6Very high0 Ų017.4 Ų17.40%09%0.089CC..EExtended strand (participates in β ladder)trans-101.4113.5178.2-179.50000108.2A102 F124 L129 L153 G157 K158 H159A102-V155 HydrophobicContact CB-CB 4.47Å; A102-V155 HydrophobicContact CB-CG1 3.93Å; A102-V155 HydrophobicContact CB-CG2 4.28Å; F124-V155 HydrophobicContact CB-CG1 3.99Å; F124-V155 HydrophobicContact CB-CG2 4.09Å; F124-V155 HydrophobicContact CD1-CG2 4.49Å; F124-V155 HydrophobicContact CD2-CG2 4.41Å; F124-V155 HydrophobicContact CG-CG2 4.1Å; L129-V155 HydrophobicContact CB-CG1 4.47Å; L129-V155 HydrophobicContact CD1-CG1 4.29Å; L153-V155 HydrophobicContact CD1-CG2 3.71Å; L153-V155 HydrophobicContact CG-CG2 3.86Å; V155-G157 PolarHBondContact O-N 3.29Å; V155-K158 PolarHBondContact O-N 3.25Å; V155-H159 HydrophobicContact CB-CB 4.22Å; V155-H159 PolarHBondContact N-O 3.08Å; V155-H159 PolarHBondContact O-N 3.2Å; V155-H159 VanDerWaalsContact O-N 3.1Å
156Y86.3Confident90.5Very high12 Ų1221 Ų215%0.04711%0.107CC..THydrogen-bonded Turntrans53.725177.5-50.4-53.2000115.6D101 A102 F124 E125 L129 K130 V136 K158D101-Y156 PolarHBondContact O-OH 3.36Å; A102-Y156 HydrophobicContact CB-CE1 4.43Å; F124-Y156 WeakPolarHBondContact O-CE2 3.48Å; F124-Y156 PolarHBondContact O-OH 2.97Å; E125-Y156 WeakPolarHBondContact CA-OH 3.48Å; L129-Y156 HydrophobicContact CB-CD2 3.87Å; L129-Y156 HydrophobicContact CB-CE2 3.98Å; L129-Y156 WeakPolarHBondContact O-CD2 3.24Å; K130-Y156 HydrophobicContact CB-CD2 4.25Å; K130-Y156 HydrophobicContact CB-CE2 4.45Å; K130-Y156 HydrophobicContact CD-CE1 4.43Å; K130-Y156 HydrophobicContact CG-CD1 3.97Å; K130-Y156 HydrophobicContact CG-CD2 3.61Å; K130-Y156 HydrophobicContact CG-CE1 3.84Å; K130-Y156 HydrophobicContact CG-CE2 3.43Å; K130-Y156 VanDerWaalsContact CG-CE2 3.43Å; K130-Y156 HydrophobicContact CG-CG 3.89Å; V136-Y156 HydrophobicContact CB-CD1 4.23Å; V136-Y156 HydrophobicContact CB-CE1 4.42Å; V136-Y156 HydrophobicContact CG1-CD1 3.62Å; V136-Y156 HydrophobicContact CG1-CE1 3.62Å; V136-Y156 HydrophobicContact CG2-CD1 3.65Å; V136-Y156 HydrophobicContact CG2-CE1 3.88Å; Y156-K158 PolarHBondContact O-N 3.42Å
157G85.1Confident89.2Confident24 Ų2422.4 Ų22.425%0.24712%0.116CC..THydrogen-bonded Turntrans73.11.7178.300000115.4V155V155-G157 PolarHBondContact O-N 3.29Å
158K87.7Confident87.6Confident81 Ų8120.9 Ų20.935%0.35212%0.121SC..THydrogen-bonded Turntrans-126.6-20.6-172.5-67.6-173173.8-177.20114.4E131 V155 Y156 L198E131-K158 HydrophobicContact CB-CD 4.26Å; E131-K158 HydrophobicContact CG-CD 4.43Å; E131-K158 WeakPolarHBondContact OE2-CD 3.37Å; E131-K158 WeakPolarHBondContact OE2-CE 3.32Å; E131-K158 IonicContact OE2-NZ 3.94Å; E131-K158 PolarHBondContact OE2-NZ 2.79Å; V155-K158 PolarHBondContact O-N 3.25Å; Y156-K158 PolarHBondContact O-N 3.42Å; K158-L198 WeakPolarHBondContact O-CB 3.49Å; K158-L198 WeakPolarHBondContact O-CG 3.36Å; K158-L198 PolarHBondContact O-N 2.76Å
159H91.5Very high85.4Confident21 Ų2128.4 Ų28.410%0.09716%0.159CC..EExtended strand (participates in β ladder)trans-127.6151.2-177.5-51.6-76.1000111.2L129 E131 V155 V195 I196L129-H159 PolarHBondContact O-CD2 3.31Å; L129-H159 VanDerWaalsContact O-CD2 3.23Å; L129-H159 PolarHBondContact O-NE2 3.25Å; E131-H159 IonicContact OE1-CE1 3.55Å; E131-H159 IonicContact OE1-NE2 3.53Å; V155-H159 HydrophobicContact CB-CB 4.22Å; V155-H159 PolarHBondContact N-O 3.08Å; V155-H159 PolarHBondContact O-N 3.2Å; V155-H159 VanDerWaalsContact O-N 3.1Å; H159-V195 HydrophobicContact CB-CG1 3.44Å; H159-V195 VanDerWaalsContact CB-CG1 3.44Å; H159-I196 CarbonylContact C-O 3.55Å; H159-I196 WeakPolarHBondContact CA-O 3.32Å
160L93.5Very high82.8Confident0 Ų029.8 Ų29.80%018%0.181CC..EExtended strand (participates in β ladder)trans-103.8110.7172.9-178.367.1000108.3A152 I154 I162 V195 I196 L198 I201 L222A152-L160 HydrophobicContact CB-CD1 4.1Å; I154-L160 HydrophobicContact CD1-CD1 4Å; L160-I162 HydrophobicContact CD2-CD1 4.14Å; L160-I162 HydrophobicContact CD2-CG1 4.36Å; L160-I162 HydrophobicContact CG-CD1 4.43Å; L160-I162 HydrophobicContact CG-CG1 4.15Å; L160-V195 CarbonylContact O-C 3.5Å; L160-V195 WeakPolarHBondContact O-CA 3.38Å; L160-I196 HydrophobicContact CB-CB 4.41Å; L160-I196 PolarHBondContact N-O 2.72Å; L160-I196 PolarHBondContact O-N 2.93Å; L160-L198 HydrophobicContact CB-CD2 4.03Å; L160-I201 HydrophobicContact CD2-CD1 3.99Å; L160-L222 HydrophobicContact CD1-CD2 3.69Å; L160-L222 HydrophobicContact CD2-CD2 3.87Å; L160-L222 HydrophobicContact CG-CD2 4.42Å
161G93.5Very high80.1Confident0 Ų036.2 Ų36.20%022%0.223CC..EExtended strand (participates in β ladder)trans-87.6128.8172.300000110.3A152 L153A152-G161 CarbonylContact C-O 3.45Å; A152-G161 WeakPolarHBondContact CA-O 3.23Å; L153-G161 WeakPolarHBondContact CD2-O 3.42Å; L153-G161 PolarHBondContact N-O 2.96Å; L153-G161 PolarHBondContact O-N 3.07Å
162I94.9Very high77.2Confident0 Ų039.2 Ų39.20%025%0.254CS..EExtended strand (participates in β ladder)trans-118.8130.2-179.8-60.2170.1000109.5C150 I151 L160 P164 S193 Y194 I196 L250 L252C150-I162 HydrophobicContact CB-CG2 4.27Å; I151-I162 WeakPolarHBondContact O-CA 3.49Å; L160-I162 HydrophobicContact CD2-CD1 4.14Å; L160-I162 HydrophobicContact CD2-CG1 4.36Å; L160-I162 HydrophobicContact CG-CD1 4.43Å; L160-I162 HydrophobicContact CG-CG1 4.15Å; I162-P164 WeakPolarHBondContact O-CD 3.4Å; I162-S193 WeakPolarHBondContact O-CA 3.37Å; I162-Y194 HydrophobicContact CB-CD1 4.49Å; I162-Y194 HydrophobicContact CB-CE1 4.01Å; I162-Y194 HydrophobicContact CB-CE2 4.12Å; I162-Y194 HydrophobicContact CD1-CE2 3.74Å; I162-Y194 HydrophobicContact CG1-CE2 4.43Å; I162-Y194 HydrophobicContact CG2-CE1 3.89Å; I162-Y194 PolarHBondContact N-O 3.36Å; I162-Y194 PolarHBondContact O-N 2.9Å; I162-Y194 VanDerWaalsContact O-N 3.13Å; I162-I196 HydrophobicContact CD1-CD1 3.47Å; I162-I196 VanDerWaalsContact CD1-CD1 3.47Å; I162-I196 HydrophobicContact CD1-CG1 4.28Å; I162-L250 HydrophobicContact CD1-CD1 3.91Å; I162-L250 HydrophobicContact CD1-CD2 3.8Å; I162-L250 HydrophobicContact CD1-CG 4.43Å; I162-L250 HydrophobicContact CG1-CD1 4.48Å; I162-L252 HydrophobicContact CG2-CD2 4.13Å
163I93.5Very high73.9Confident0 Ų048.8 Ų48.80%030%0.295CS..EExtended strand (participates in β ladder)trans-114.798.3174.6-56.1172.1000108I104 H122 F124 C150 I151 F165I104-I163 HydrophobicContact CB-CD1 3.93Å; I104-I163 HydrophobicContact CD1-CD1 3.78Å; I104-I163 HydrophobicContact CG1-CD1 4.33Å; I104-I163 HydrophobicContact CG2-CD1 3.96Å; H122-I163 HydrophobicContact CB-CD1 3.78Å; H122-I163 HydrophobicContact CB-CG1 4.42Å; F124-I163 HydrophobicContact CE2-CD1 4.31Å; F124-I163 HydrophobicContact CE2-CG1 4.42Å; F124-I163 HydrophobicContact CZ-CG1 4.19Å; C150-I163 CarbonylContact C-O 3.46Å; C150-I163 WeakPolarHBondContact CA-O 3.43Å; C150-I163 VanDerWaalsContact CB-O 3.31Å; C150-I163 WeakPolarHBondContact CB-O 3.26Å; I151-I163 HydrophobicContact CB-CB 4.31Å; I151-I163 PolarHBondContact N-O 3.48Å; I151-I163 PolarHBondContact O-N 2.92Å; I163-F165 HydrophobicContact CG2-CE1 4.14Å; I163-F165 HydrophobicContact CG2-CZ 4.05Å
164P91.6Very high71.1Confident2 Ų260 Ų601%0.01334%0.337CS..EExtended strand (participates in β ladder)trans-80.3139.8176.929.3-31.9000112.4I162 A191 Y194 L252I162-P164 WeakPolarHBondContact O-CD 3.4Å; P164-A191 HydrophobicContact CB-CB 4.37Å; P164-A191 HydrophobicContact CG-CB 3.73Å; P164-A191 PolarHBondContact O-N 2.86Å; P164-Y194 HydrophobicContact CG-CD1 4.49Å; P164-Y194 HydrophobicContact CG-CE1 4.13Å; P164-L252 HydrophobicContact CB-CB 4.33Å; P164-L252 HydrophobicContact CB-CD1 4.28Å; P164-L252 HydrophobicContact CB-CD2 4.31Å
165F86.1Confident68.1Low21 Ų2166.8 Ų66.89%0.09237%0.373CS..BIsolated β-bridgetrans-107.3108170.2-58.9-66.8000109.1L85 L87 V106 S148 R149 I151 I163 A190L85-F165 HydrophobicContact CD1-CE1 4.47Å; L85-F165 HydrophobicContact CD1-CE2 3.81Å; L85-F165 HydrophobicContact CD1-CZ 3.61Å; L85-F165 HydrophobicContact CD2-CE2 3.8Å; L85-F165 HydrophobicContact CD2-CZ 4.45Å; L85-F165 HydrophobicContact CG-CE2 4.42Å; L87-F165 HydrophobicContact CD2-CB 4.15Å; L87-F165 HydrophobicContact CD2-CD1 3.76Å; L87-F165 HydrophobicContact CD2-CD2 4.03Å; L87-F165 HydrophobicContact CD2-CE1 4.13Å; L87-F165 HydrophobicContact CD2-CE2 4.38Å; L87-F165 HydrophobicContact CD2-CG 3.7Å; L87-F165 HydrophobicContact CD2-CZ 4.43Å; V106-F165 HydrophobicContact CG2-CE1 4.43Å; V106-F165 HydrophobicContact CG2-CZ 4.21Å; S148-F165 WeakPolarHBondContact O-CD2 3.28Å; R149-F165 PolarHBondContact O-N 3.36Å; I151-F165 HydrophobicContact CD1-CE2 3.69Å; I151-F165 HydrophobicContact CD1-CZ 3.63Å; I151-F165 HydrophobicContact CG1-CE2 3.88Å; I151-F165 HydrophobicContact CG1-CZ 4.33Å; I163-F165 HydrophobicContact CG2-CE1 4.14Å; I163-F165 HydrophobicContact CG2-CZ 4.05Å; F165-A190 HydrophobicContact CD1-CB 4.3Å; F165-A190 HydrophobicContact CE1-CB 4.3Å
166I72Confident65.1Low77 Ų7772.3 Ų72.340%0.39541%0.407SS..  trans-107.6120.7-179.8-55.6-178.6000108.2A168 A191I166-A168 PolarHBondContact O-N 3.34Å; I166-A191 HydrophobicContact CD1-CB 3.58Å; I166-A191 HydrophobicContact CG1-CB 3.9Å
167P65.2Low62.8Low72 Ų7276.8 Ų76.847%0.46845%0.446SS..  trans-60.7130.6171.7-1930.3000110.2A88 L169A88-P167 HydrophobicContact CB-CB 4.01Å; A88-P167 HydrophobicContact CB-CG 3.88Å; P167-L169 PolarHBondContact O-N 3.4Å
168A56.5Low60.2Low67 Ų6783.1 Ų83.155%0.55447%0.474SS*.  trans-64.4104.317300000109.9I166 A170I166-A168 PolarHBondContact O-N 3.34Å; A168-A170 PolarHBondContact O-N 2.95Å; A168-A170 VanDerWaalsContact O-N 3.15Å
169L44.2Very low57.4Low167 Ų16784 Ų8487%0.87449%0.487SS*.  trans-80.287.6-179.9-127.797.3000110.3P167P167-L169 PolarHBondContact O-N 3.4Å
170A38.1Very low54.6Low76 Ų7687.8 Ų87.863%0.62852%0.522SS*.  trans-161.188.5159.800000113.3A168 G172A168-A170 PolarHBondContact O-N 2.95Å; A168-A170 VanDerWaalsContact O-N 3.15Å; A170-G172 PolarHBondContact O-N 2.87Å
171P35.4Very low51.6Low136 Ų13697.8 Ų97.888%0.88356%0.56SS**THydrogen-bonded Turntrans-75.8105.4159.930.2-26.1000108.1
172G34.7Very low48.6Very low63 Ų63105.2 Ų105.265%0.64960%0.599SS**THydrogen-bonded Turntrans143.3-8.6167.400000118.7A170A170-G172 PolarHBondContact O-N 2.87Å
173K27.1Very low45.9Very low200 Ų200110.2 Ų110.287%0.8763%0.63SS**  trans-108.769.2167.1-77.4-174.7179179.30109.8L175K173-L175 PolarHBondContact O-N 2.8Å; K173-L175 VanDerWaalsContact O-N 3.12Å
174W33.5Very low43.3Very low235 Ų235116.4 Ų116.489%0.8966%0.662SS**  trans-59.8114.9159.2-68.687.4000106.7T176W174-T176 PolarHBondContact O-N 2.74Å
175L29.1Very low41.1Very low149 Ų149119.8 Ų119.878%0.7868%0.676SS**  trans-48.6114.6153.7-85.7150.7000105.3K173 A177K173-L175 PolarHBondContact O-N 2.8Å; K173-L175 VanDerWaalsContact O-N 3.12Å; L175-A177 PolarHBondContact O-N 2.87Å
176T28Very low39.2Very low116 Ų116122.1 Ų122.171%0.71269%0.694SS**  trans-43.2134.9175.238.80000108.8W174 N178W174-T176 PolarHBondContact O-N 2.74Å; T176-N178 PolarHBondContact O-N 3.35Å
177A37.7Very low38Very low105 Ų105124.6 Ų124.687%0.86871%0.708SS**THydrogen-bonded Turntrans-63.129.8-167.800000116.2L175L175-A177 PolarHBondContact O-N 2.87Å
178N29.9Very low37.4Very low157 Ų157123.5 Ų123.584%0.8470%0.698SS**THydrogen-bonded Turntrans-118.316-177.6-84.20000114.7T176T176-N178 PolarHBondContact O-N 3.35Å
179T29.6Very low37.2Very low99 Ų99125.3 Ų125.361%0.60770%0.697SS**  trans-111.5104.3167.3-16.70000109.4R181T179-R181 PolarHBondContact O-N 2.97Å
180A33.8Very low37.8Very low101 Ų101118.3 Ų118.384%0.83566%0.663SS**  trans-65.160.3177.100000112.9
181R30.3Very low38.8Very low210 Ų210115.7 Ų115.779%0.79264%0.641SS**  trans-98.999.6160.8-74.1-171.5177.4177.30.5107.1T179 T183T179-R181 PolarHBondContact O-N 2.97Å; R181-T183 PolarHBondContact O-N 2.94Å
182N30.7Very low40.8Very low156 Ų156119.6 Ų119.683%0.83464%0.638SS**  trans-66.147.5176.9-80.4-13.3000113.5
183T36.9Very low43.4Very low105 Ų105118.2 Ų118.264%0.64462%0.619SS**  trans-106.185.3172.351.10000108.8R181 F185R181-T183 PolarHBondContact O-N 2.94Å; T183-F185 PolarHBondContact O-N 2.99Å
184I39.4Very low46.5Very low130 Ų130109.9 Ų109.967%0.66758%0.582SS**  trans-76.544.4177.1-48.1173.2000110.6M112M112-I184 HydrophobicContact CE-CD1 3.75Å
185F45.6Very low49.3Very low73 Ų73101.2 Ų101.232%0.3256%0.555SS.*SBendtrans-123.8131.3173-70.4-81.8000108.4Y90 K117 T183 D187Y90-F185 HydrophobicContact CE2-CD1 4.03Å; Y90-F185 HydrophobicContact CE2-CE1 4.01Å; K117-F185 HydrophobicContact CD-CE2 4.4Å; K117-F185 HydrophobicContact CD-CZ 4.45Å; T183-F185 PolarHBondContact O-N 2.99Å; F185-D187 PolarHBondContact O-N 3.06Å
186P45.3Very low52.3Low70 Ų7094.9 Ų94.946%0.45552%0.522SS..  trans-57.5136.1170.124.2-28.9000107.4G89 I188G89-P186 WeakPolarHBondContact O-CG 3.41Å; P186-I188 HydrophobicContact CG-CG1 4.43Å; P186-I188 PolarHBondContact O-N 3.09Å
187D47.5Very low55.4Low130 Ų13090.6 Ų90.670%0.69550%0.501SS*.  trans-60.479.7173.6-72.2-39.7000109.3F185 I189F185-D187 PolarHBondContact O-N 3.06Å; D187-I189 VanDerWaalsContact C-N 3.26Å; D187-I189 HydrophobicContact CB-CG1 4.43Å; D187-I189 PolarHBondContact O-N 3.29Å
188I52.3Low58Low49 Ų4985.7 Ų85.725%0.25146%0.46SS..  trans-74.791.4165.3-60.5170.6000104.8L87 Y90 P186 A190L87-I188 HydrophobicContact CB-CD1 4.05Å; L87-I188 HydrophobicContact CD1-CD1 4.43Å; L87-I188 HydrophobicContact CD1-CG2 4.48Å; Y90-I188 HydrophobicContact CD2-CD1 4.11Å; Y90-I188 HydrophobicContact CG-CD1 4.41Å; P186-I188 HydrophobicContact CG-CG1 4.43Å; P186-I188 PolarHBondContact O-N 3.09Å; I188-A190 PolarHBondContact O-N 3.05Å; I188-A190 VanDerWaalsContact O-N 3.13Å
189I51.8Low60.9Low105 Ų10582.8 Ų82.854%0.53845%0.445SS..  trans-75.498.7171.1-55.9171.4000105.7D187 A191D187-I189 VanDerWaalsContact C-N 3.26Å; D187-I189 HydrophobicContact CB-CG1 4.43Å; D187-I189 PolarHBondContact O-N 3.29Å; I189-A191 PolarHBondContact O-N 2.91Å
190A57.2Low63.7Low19 Ų1981.5 Ų81.516%0.15744%0.444CS..BIsolated β-bridgetrans-53.5115.9151.800000105.6T120 F165 I188T120-A190 HydrophobicContact CG2-CB 3.89Å; F165-A190 HydrophobicContact CD1-CB 4.3Å; F165-A190 HydrophobicContact CE1-CB 4.3Å; I188-A190 PolarHBondContact O-N 3.05Å; I188-A190 VanDerWaalsContact O-N 3.13Å
191A58.9Low66.5Low21 Ų2177.6 Ų77.617%0.17441%0.409CS..PPolyproline II helixtrans-64.8158.5178.100000108.5P164 I166 I189 S193P164-A191 HydrophobicContact CB-CB 4.37Å; P164-A191 HydrophobicContact CG-CB 3.73Å; P164-A191 PolarHBondContact O-N 2.86Å; I166-A191 HydrophobicContact CD1-CB 3.58Å; I166-A191 HydrophobicContact CG1-CB 3.9Å; I189-A191 PolarHBondContact O-N 2.91Å; A191-S193 PolarHBondContact O-N 3.09Å
192R78.3Confident69.5Low218 Ų21869 Ų6982%0.82338%0.378SS*.PPolyproline II helixtrans-50.6117.4-176.7-175.1177.8-178.2-179.50.6109.4
193S88.4Confident72.4Confident35 Ų3565.8 Ų65.825%0.24537%0.369CS..PPolyproline II helixtrans-61.7139.517450.20000109.7H122 I162 A191H122-S193 WeakPolarHBondContact ND1-CB 3.47Å; H122-S193 PolarHBondContact ND1-OG 3.28Å; I162-S193 WeakPolarHBondContact O-CA 3.37Å; A191-S193 PolarHBondContact O-N 3.09Å
194Y92.3Very high75Confident25 Ų2566.2 Ų66.210%0.09836%0.358CS..EExtended strand (participates in β ladder)trans-133.3163.9-177.864.2-85000110.3I162 P164 I196 Q255I162-Y194 HydrophobicContact CB-CD1 4.49Å; I162-Y194 HydrophobicContact CB-CE1 4.01Å; I162-Y194 HydrophobicContact CB-CE2 4.12Å; I162-Y194 HydrophobicContact CD1-CE2 3.74Å; I162-Y194 HydrophobicContact CG1-CE2 4.43Å; I162-Y194 HydrophobicContact CG2-CE1 3.89Å; I162-Y194 PolarHBondContact N-O 3.36Å; I162-Y194 PolarHBondContact O-N 2.9Å; I162-Y194 VanDerWaalsContact O-N 3.13Å; P164-Y194 HydrophobicContact CG-CD1 4.49Å; P164-Y194 HydrophobicContact CG-CE1 4.13Å; Y194-I196 HydrophobicContact CD2-CG1 4.15Å; Y194-I196 HydrophobicContact CE2-CD1 3.97Å; Y194-I196 HydrophobicContact CE2-CG1 4.02Å; Y194-Q255 HydrophobicContact CD1-CG 4.17Å; Y194-Q255 HydrophobicContact CD2-CB 4.38Å; Y194-Q255 HydrophobicContact CE1-CG 4.01Å; Y194-Q255 HydrophobicContact CE2-CB 4.08Å; Y194-Q255 HydrophobicContact CE2-CG 4.44Å; Y194-Q255 HydrophobicContact CG-CG 4.47Å
195V92.6Very high77.4Confident53 Ų5360.1 Ų60.132%0.32133%0.327SS..EExtended strand (participates in β ladder)trans-126.6132.4-172.6-178.40000108.8F124 L129 H159 L160F124-V195 HydrophobicContact CD1-CG2 3.6Å; F124-V195 HydrophobicContact CE1-CG2 3.68Å; L129-V195 HydrophobicContact CD1-CG2 4.29Å; L129-V195 HydrophobicContact CD2-CG1 4.01Å; H159-V195 HydrophobicContact CB-CG1 3.44Å; H159-V195 VanDerWaalsContact CB-CG1 3.44Å; L160-V195 CarbonylContact O-C 3.5Å; L160-V195 WeakPolarHBondContact O-CA 3.38Å
196I93.1Very high79.5Confident15 Ų1560.9 Ų60.98%0.07733%0.33CS..EExtended strand (participates in β ladder)trans-111.7130.8174.8-55172.7000107.8H159 L160 I162 Y194 I201 H257H159-I196 CarbonylContact C-O 3.55Å; H159-I196 WeakPolarHBondContact CA-O 3.32Å; L160-I196 HydrophobicContact CB-CB 4.41Å; L160-I196 PolarHBondContact N-O 2.72Å; L160-I196 PolarHBondContact O-N 2.93Å; I162-I196 HydrophobicContact CD1-CD1 3.47Å; I162-I196 VanDerWaalsContact CD1-CD1 3.47Å; I162-I196 HydrophobicContact CD1-CG1 4.28Å; Y194-I196 HydrophobicContact CD2-CG1 4.15Å; Y194-I196 HydrophobicContact CE2-CD1 3.97Å; Y194-I196 HydrophobicContact CE2-CG1 4.02Å; I196-I201 HydrophobicContact CG2-CD1 4.13Å; I196-I201 HydrophobicContact CG2-CG1 3.88Å; I196-H257 HydrophobicContact CD1-CB 4.47Å
197G91.6Very high81.6Confident27 Ų2761.7 Ų61.728%0.27833%0.328SS..EExtended strand (participates in β ladder)trans-68.9132.3169.800000110.6N199 A200G197-N199 PolarHBondContact O-N 3.11Å; G197-A200 VanDerWaalsContact O-CB 3.27Å; G197-A200 WeakPolarHBondContact O-CB 3.33Å; G197-A200 PolarHBondContact O-N 2.78Å
198L92.1Very high83.8Confident1 Ų155.5 Ų55.51%0.00530%0.295CS..Hα-helixtrans-59.3-37.5-178.6-69.9174.8000112.1I154 K158 L160 A200 I201 D202 L205 V208 L224I154-L198 HydrophobicContact CD1-CD1 4.48Å; I154-L198 HydrophobicContact CD1-CD2 4.28Å; K158-L198 WeakPolarHBondContact O-CB 3.49Å; K158-L198 WeakPolarHBondContact O-CG 3.36Å; K158-L198 PolarHBondContact O-N 2.76Å; L160-L198 HydrophobicContact CB-CD2 4.03Å; L198-A200 PolarHBondContact O-N 2.76Å; L198-A200 VanDerWaalsContact O-N 3.16Å; L198-I201 HydrophobicContact CD2-CD1 4.42Å; L198-I201 WeakPolarHBondContact O-CB 3.26Å; L198-I201 PolarHBondContact O-N 3.22Å; L198-D202 PolarHBondContact O-N 2.99Å; L198-L205 HydrophobicContact CB-CB 4.08Å; L198-V208 HydrophobicContact CD1-CG2 3.8Å; L198-L224 HydrophobicContact CD2-CD2 4.03Å
199N90.5Very high85.7Confident97 Ų9754.7 Ų54.752%0.51930%0.295SS..Hα-helixtrans-60.7-22.7174.7-68.3-10.4000114.1G197G197-N199 PolarHBondContact O-N 3.11Å
200A90.4Very high87.8Confident72 Ų7251.1 Ų51.160%0.59528%0.277SS*.Hα-helixtrans-77.2-25.1177.100000112.1G197 L198G197-A200 VanDerWaalsContact O-CB 3.27Å; G197-A200 WeakPolarHBondContact O-CB 3.33Å; G197-A200 PolarHBondContact O-N 2.78Å; L198-A200 PolarHBondContact O-N 2.76Å; L198-A200 VanDerWaalsContact O-N 3.16Å
201I92.5Very high89.6Confident18 Ų1850.4 Ų50.49%0.09227%0.271CS..Hα-helixtrans-78.4-54.3176.1-56.8175.1000109.5L160 I196 L198 L205 V248 V259L160-I201 HydrophobicContact CD2-CD1 3.99Å; I196-I201 HydrophobicContact CG2-CD1 4.13Å; I196-I201 HydrophobicContact CG2-CG1 3.88Å; L198-I201 HydrophobicContact CD2-CD1 4.42Å; L198-I201 WeakPolarHBondContact O-CB 3.26Å; L198-I201 PolarHBondContact O-N 3.22Å; I201-L205 HydrophobicContact CB-CD1 3.77Å; I201-L205 HydrophobicContact CG2-CD1 3.78Å; I201-V248 HydrophobicContact CG2-CG1 4.35Å; I201-V248 HydrophobicContact CG2-CG2 3.64Å; I201-V259 HydrophobicContact CG2-CG2 3.97Å
202D92.4Very high91.4Very high29 Ų2949.7 Ų49.716%0.15527%0.265CS..  trans-150133.2173.5-174.5-50000108.3L198 R204 L205 I246L198-D202 PolarHBondContact O-N 2.99Å; D202-R204 PolarHBondContact O-N 3.16Å; D202-R204 VanDerWaalsContact OD1-CB 3.27Å; D202-R204 WeakPolarHBondContact OD1-CB 3.37Å; D202-R204 WeakPolarHBondContact OD1-CG 3.36Å; D202-R204 IonicContact OD1-CZ 2.78Å; D202-R204 PolarHBondContact OD1-N 3.25Å; D202-R204 IonicContact OD1-NE 2.86Å; D202-R204 PolarHBondContact OD1-NE 3.5Å; D202-R204 VanDerWaalsContact OD1-NE 3.13Å; D202-R204 IonicContact OD1-NH2 3.45Å; D202-R204 IonicContact OD2-CZ 3Å; D202-R204 IonicContact OD2-NE 3.63Å; D202-R204 PolarHBondContact OD2-NE 2.99Å; D202-R204 IonicContact OD2-NH2 2.63Å; D202-R204 PolarHBondContact OD2-NH2 3.22Å; D202-L205 HydrophobicContact CB-CD1 3.84Å; D202-L205 HydrophobicContact CB-CG 4.07Å; D202-L205 WeakPolarHBondContact O-CB 3.34Å; D202-L205 PolarHBondContact O-N 2.84Å; D202-L205 VanDerWaalsContact O-N 3.13Å; D202-I246 HydrophobicContact CB-CD1 3.81Å
203S90.7Very high92.3Very high90 Ų9039.5 Ų39.563%0.62923%0.226SC*.THydrogen-bonded Turntrans-60.1-14.2179.959.90000115.3F206S203-F206 WeakPolarHBondContact O-CE2 3.33Å
204R91.4Very high92.6Very high113 Ų11338.2 Ų38.243%0.42622%0.217SC..THydrogen-bonded Turntrans-97.3-4-179-58.7172.3-65.8168.62.3113.3D202 F206 Y226 P228D202-R204 PolarHBondContact O-N 3.16Å; D202-R204 VanDerWaalsContact OD1-CB 3.27Å; D202-R204 WeakPolarHBondContact OD1-CB 3.37Å; D202-R204 WeakPolarHBondContact OD1-CG 3.36Å; D202-R204 IonicContact OD1-CZ 2.78Å; D202-R204 PolarHBondContact OD1-N 3.25Å; D202-R204 IonicContact OD1-NE 2.86Å; D202-R204 PolarHBondContact OD1-NE 3.5Å; D202-R204 VanDerWaalsContact OD1-NE 3.13Å; D202-R204 IonicContact OD1-NH2 3.45Å; D202-R204 IonicContact OD2-CZ 3Å; D202-R204 IonicContact OD2-NE 3.63Å; D202-R204 PolarHBondContact OD2-NE 2.99Å; D202-R204 IonicContact OD2-NH2 2.63Å; D202-R204 PolarHBondContact OD2-NH2 3.22Å; R204-F206 VanDerWaalsContact C-N 3.29Å; R204-F206 WeakPolarHBondContact O-CD2 3.09Å; R204-F206 PolarHBondContact O-N 3.05Å; R204-Y226 HydrophobicContact CB-CE2 4.31Å; R204-Y226 VanDerWaalsContact O-CE2 3.31Å; R204-Y226 WeakPolarHBondContact O-CE2 3.09Å; R204-P228 HydrophobicContact CB-CB 4.29Å; R204-P228 HydrophobicContact CB-CG 4.36Å
205L91.1Very high92.5Very high2 Ų240 Ų401%0.0123%0.225CC..  trans-72.878.7-176.8-85.7165.6000112.4L198 I201 D202 L224 Y226 I246L198-L205 HydrophobicContact CB-CB 4.08Å; I201-L205 HydrophobicContact CB-CD1 3.77Å; I201-L205 HydrophobicContact CG2-CD1 3.78Å; D202-L205 HydrophobicContact CB-CD1 3.84Å; D202-L205 HydrophobicContact CB-CG 4.07Å; D202-L205 WeakPolarHBondContact O-CB 3.34Å; D202-L205 PolarHBondContact O-N 2.84Å; D202-L205 VanDerWaalsContact O-N 3.13Å; L205-L224 HydrophobicContact CD2-CB 4.48Å; L205-L224 HydrophobicContact CD2-CD2 4.4Å; L205-Y226 HydrophobicContact CD2-CD1 3.45Å; L205-Y226 VanDerWaalsContact CD2-CD1 3.45Å; L205-Y226 HydrophobicContact CD2-CD2 3.75Å; L205-Y226 HydrophobicContact CD2-CE1 3.65Å; L205-Y226 HydrophobicContact CD2-CE2 3.89Å; L205-Y226 HydrophobicContact CD2-CG 3.51Å; L205-Y226 HydrophobicContact CG-CD2 4.38Å; L205-Y226 HydrophobicContact CG-CE1 4.44Å; L205-Y226 HydrophobicContact CG-CE2 4.16Å; L205-I246 HydrophobicContact CD1-CD1 4.48Å; L205-I246 HydrophobicContact CD1-CG2 4.19Å; L205-I246 HydrophobicContact CD2-CG2 3.75Å; L205-I246 HydrophobicContact CG-CG2 4.34Å
206F88.2Confident92.2Very high89 Ų8939.8 Ų39.839%0.3924%0.235SC..  trans-115156.2170.5-57.9-75.2000110.2S203 R204 V208 E227S203-F206 WeakPolarHBondContact O-CE2 3.33Å; R204-F206 VanDerWaalsContact C-N 3.29Å; R204-F206 WeakPolarHBondContact O-CD2 3.09Å; R204-F206 PolarHBondContact O-N 3.05Å; F206-V208 PolarHBondContact O-N 2.76Å; F206-E227 CarbonylContact O-C 3.12Å; F206-E227 PolarHBondContact O-N 2.88Å; F206-E227 VanDerWaalsContact O-O 3.1Å
207H90.2Very high92.1Very high87 Ų8742.2 Ų42.240%0.40325%0.245SC..SBendtrans50.659.8172.9-49.3-70.6000113.6A209 Y226 E227H207-A209 PolarHBondContact O-N 3.38Å; H207-Y226 WeakPolarHBondContact O-CA 3.42Å; H207-E227 HydrophobicContact CB-CB 4.41Å; H207-E227 PolarHBondContact CD2-O 3.34Å; H207-E227 PolarHBondContact O-N 2.86Å
208V93.1Very high92Very high1 Ų149.5 Ų49.51%0.00627%0.271CS..EExtended strand (participates in β ladder)trans-64.2121.4174.6-176.20000109.3L141 I154 L198 F206 I211 L224 L225L141-V208 HydrophobicContact CD1-CB 4.5Å; L141-V208 HydrophobicContact CD1-CG1 3.95Å; I154-V208 HydrophobicContact CD1-CG1 4.24Å; I154-V208 HydrophobicContact CD1-CG2 4.4Å; I154-V208 HydrophobicContact CG1-CB 4.48Å; I154-V208 HydrophobicContact CG1-CG1 4.15Å; L198-V208 HydrophobicContact CD1-CG2 3.8Å; F206-V208 PolarHBondContact O-N 2.76Å; V208-I211 HydrophobicContact CG1-CG2 3.68Å; V208-L224 HydrophobicContact CG1-CD2 4.4Å; V208-L224 HydrophobicContact CG2-CD2 4.33Å; V208-L225 CarbonylContact C-O 3.56Å; V208-L225 WeakPolarHBondContact CA-O 3.39Å
209A92.9Very high92Very high31 Ų3153.2 Ų53.226%0.25629%0.288SS..EExtended strand (participates in β ladder)trans-89.3-40.6179.400000112.3L141 H207 L225 F243L141-A209 WeakPolarHBondContact CD1-O 3.39Å; H207-A209 PolarHBondContact O-N 3.38Å; A209-L225 HydrophobicContact CB-CD2 4.17Å; A209-L225 HydrophobicContact CB-CG 4.24Å; A209-L225 PolarHBondContact N-O 3.37Å; A209-F243 HydrophobicContact CB-CE1 3.74Å; A209-F243 HydrophobicContact CB-CZ 4.32Å
210D95.2Very high92.2Very high30 Ų3048.9 Ų48.916%0.1627%0.266CS..EExtended strand (participates in β ladder)trans-154.1156.4179.6-164.917.7000111.9L225 Y272 M273D210-L225 PolarHBondContact N-O 2.85Å; D210-L225 PolarHBondContact O-N 2.97Å; D210-Y272 WeakPolarHBondContact OD2-CB 3.31Å; D210-M273 HydrophobicContact CB-CG 4.39Å; D210-M273 WeakPolarHBondContact OD2-CG 3.17Å; D210-M273 PolarHBondContact OD2-N 2.86Å
211I95.8Very high92.4Very high5 Ų545.5 Ų45.53%0.02624%0.238CC..EExtended strand (participates in β ladder)trans-134.5140.917567.6173.6000110.9L141 A152 I154 V208 L222 L223 L224L141-I211 HydrophobicContact CB-CD1 4.29Å; L141-I211 HydrophobicContact CB-CG1 4.11Å; A152-I211 HydrophobicContact CB-CD1 4.4Å; I154-I211 HydrophobicContact CD1-CG2 4.05Å; I154-I211 HydrophobicContact CG1-CD1 4.28Å; I154-I211 HydrophobicContact CG1-CG2 3.99Å; V208-I211 HydrophobicContact CG1-CG2 3.68Å; I211-L222 HydrophobicContact CB-CD1 4.21Å; I211-L223 WeakPolarHBondContact CA-O 3.29Å; I211-L224 HydrophobicContact CG2-CB 4.41Å; I211-L224 HydrophobicContact CG2-CD2 4.18Å; I211-L224 HydrophobicContact CG2-CG 3.96Å
212C96Very high92.6Very high6 Ų644.7 Ų44.74%0.04123%0.233CC..EExtended strand (participates in β ladder)trans-150.1153.1171.383.80000111.7L223 M273 P275 I283C212-L223 PolarHBondContact N-O 3.21Å; C212-L223 PolarHBondContact O-N 2.81Å; C212-M273 HydrophobicContact CB-CG 4.19Å; C212-M273 HydrophobicContact CB-SD 4.03Å; C212-M273 PolarHBondContact SG-SD 3.22Å; C212-P275 HydrophobicContact CB-CG 4.27Å; C212-I283 WeakPolarHBondContact SG-CD1 3.33Å
213F97.1Very high92.8Very high3 Ų343.3 Ų43.31%0.01323%0.226CC..EExtended strand (participates in β ladder)trans-87140.6171-79.1-83.7000111.5S143 A144 D145 P146 C150 A152 P220 T221 L222 L250 P275S143-F213 WeakPolarHBondContact O-CE2 3.39Å; A144-F213 WeakPolarHBondContact O-CD2 3.08Å; D145-F213 HydrophobicContact CB-CD1 4.04Å; D145-F213 HydrophobicContact CB-CD2 4.21Å; D145-F213 HydrophobicContact CB-CE1 4.2Å; D145-F213 HydrophobicContact CB-CE2 4.33Å; D145-F213 HydrophobicContact CB-CG 4.05Å; D145-F213 HydrophobicContact CB-CZ 4.33Å; D145-F213 VanDerWaalsContact N-CD2 3.3Å; P146-F213 VanDerWaalsContact CD-CB 3.46Å; P146-F213 HydrophobicContact CG-CB 4.37Å; C150-F213 VanDerWaalsContact SG-CZ 3.59Å; A152-F213 HydrophobicContact CB-CE2 3.76Å; A152-F213 HydrophobicContact CB-CZ 3.76Å; F213-P220 HydrophobicContact CD1-CB 4.32Å; F213-P220 HydrophobicContact CE1-CB 3.92Å; F213-T221 WeakPolarHBondContact CA-O 3.41Å; F213-T221 WeakPolarHBondContact CD1-O 3.36Å; F213-L222 HydrophobicContact CD1-CB 4.21Å; F213-L222 HydrophobicContact CD1-CD1 4.31Å; F213-L222 HydrophobicContact CD2-CD1 3.96Å; F213-L222 HydrophobicContact CE1-CB 3.91Å; F213-L222 HydrophobicContact CE1-CD1 4.18Å; F213-L222 HydrophobicContact CE2-CD1 3.85Å; F213-L222 HydrophobicContact CG-CD1 4.2Å; F213-L222 HydrophobicContact CZ-CB 4.35Å; F213-L222 HydrophobicContact CZ-CD1 3.96Å; F213-L250 HydrophobicContact CE1-CD1 4.14Å; F213-L250 HydrophobicContact CZ-CD1 4.3Å; F213-P275 WeakPolarHBondContact O-CB 3.09Å
214L94.7Very high93.1Very high9 Ų939 Ų395%0.04720%0.196CC..PPolyproline II helixtrans-85.7143.9177.4-61.3-178.2000111.9F217 T221 L223 W261 I283L214-F217 HydrophobicContact CB-CD2 3.72Å; L214-F217 HydrophobicContact CB-CE2 3.61Å; L214-F217 HydrophobicContact CD1-CE2 3.83Å; L214-F217 HydrophobicContact CD1-CZ 4.23Å; L214-F217 HydrophobicContact CG-CE2 4.38Å; L214-T221 HydrophobicContact CB-CG2 4.44Å; L214-T221 HydrophobicContact CD1-CG2 3.94Å; L214-T221 HydrophobicContact CG-CG2 4.37Å; L214-T221 PolarHBondContact N-O 3.35Å; L214-L223 HydrophobicContact CD2-CB 4.2Å; L214-L223 HydrophobicContact CD2-CD2 4.16Å; L214-L223 HydrophobicContact CG-CB 4.22Å; L214-W261 HydrophobicContact CD1-CE3 4.48Å; L214-W261 HydrophobicContact CD1-CZ3 4.49Å; L214-I283 HydrophobicContact CD2-CD1 4.43Å
215H91.3Very high93.3Very high61 Ų6133.6 Ų33.628%0.28218%0.176SC..THydrogen-bonded Turntrans-81.1146.4174.6-64.3-94.4000111.6K278H215-K278 HydrophobicContact CB-CG 4.24Å
216G86.8Confident93.5Very high50 Ų5033.6 Ų33.652%0.51518%0.176SC..THydrogen-bonded Turntrans95-0.3168.700000117
217F90.3Very high93.8Very high66 Ų6630 Ų3029%0.28916%0.16SC..  trans-93.4137.9178-66-93.6000112.2R149 L214 E219 T221 I260R149-F217 PolarHBondContact NH1-O 2.83Å; R149-F217 VanDerWaalsContact NH1-O 3.14Å; R149-F217 PolarHBondContact NH2-O 3.12Å; L214-F217 HydrophobicContact CB-CD2 3.72Å; L214-F217 HydrophobicContact CB-CE2 3.61Å; L214-F217 HydrophobicContact CD1-CE2 3.83Å; L214-F217 HydrophobicContact CD1-CZ 4.23Å; L214-F217 HydrophobicContact CG-CE2 4.38Å; F217-E219 VanDerWaalsContact C-N 3.31Å; F217-E219 CarbonylContact C-O 3.59Å; F217-E219 VanDerWaalsContact CB-O 3.27Å; F217-E219 WeakPolarHBondContact CB-O 2.82Å; F217-E219 PolarHBondContact O-N 3.34Å; F217-T221 VanDerWaalsContact CB-OG1 3.29Å; F217-T221 WeakPolarHBondContact CB-OG1 3.37Å; F217-T221 HydrophobicContact CG-CG2 4.48Å; F217-T221 VanDerWaalsContact CG-OG1 3.32Å; F217-T221 WeakPolarHBondContact CG-OG1 3.16Å; F217-I260 HydrophobicContact CD1-CD1 4.16Å; F217-I260 HydrophobicContact CE1-CD1 3.88Å
218H88.7Confident93.9Very high179 Ų17927.4 Ų27.483%0.82915%0.151SC*.SBendtrans-65.7-33.5179178.4-81.7000112.7R149R149-H218 PolarHBondContact NH1-O 3.3Å
219E91.9Very high93.8Very high79 Ų7931.8 Ų31.837%0.36917%0.173SC..SBendtrans-100.9153.9168-70.4-174.6170.400109.7F217 T221 S249F217-E219 VanDerWaalsContact C-N 3.31Å; F217-E219 CarbonylContact C-O 3.59Å; F217-E219 VanDerWaalsContact CB-O 3.27Å; F217-E219 WeakPolarHBondContact CB-O 2.82Å; F217-E219 PolarHBondContact O-N 3.34Å; E219-T221 PolarHBondContact O-N 3.08Å; E219-T221 VanDerWaalsContact O-N 3.1Å; E219-T221 PolarHBondContact O-OG1 3.19Å; E219-S249 VanDerWaalsContact CB-OG 3.25Å; E219-S249 WeakPolarHBondContact CB-OG 3.11Å; E219-S249 PolarHBondContact OE2-OG 2.89Å
220P94.9Very high93.5Very high7 Ų736.1 Ų36.15%0.04519%0.188CC..  trans-64.6111.7174.121.9-27000110.3D145 F213 L250 L252D145-P220 HydrophobicContact CB-CB 4.45Å; F213-P220 HydrophobicContact CD1-CB 4.32Å; F213-P220 HydrophobicContact CE1-CB 3.92Å; P220-L250 WeakPolarHBondContact CD-O 3.31Å; P220-L250 HydrophobicContact CG-CB 4.17Å; P220-L250 WeakPolarHBondContact CG-O 3.28Å; P220-L250 PolarHBondContact O-N 2.81Å; P220-L252 HydrophobicContact CG-CD1 4.1Å; P220-L252 HydrophobicContact CG-CD2 4.34Å; P220-L252 HydrophobicContact CG-CG 4.06Å
221T95.9Very high93.3Very high1 Ų135.2 Ų35.21%0.00618%0.184CC..EExtended strand (participates in β ladder)trans-104.2111.5-179.4-60.80000110.1F213 L214 F217 E219 A247 V248 I260F213-T221 WeakPolarHBondContact CA-O 3.41Å; F213-T221 WeakPolarHBondContact CD1-O 3.36Å; L214-T221 HydrophobicContact CB-CG2 4.44Å; L214-T221 HydrophobicContact CD1-CG2 3.94Å; L214-T221 HydrophobicContact CG-CG2 4.37Å; L214-T221 PolarHBondContact N-O 3.35Å; F217-T221 VanDerWaalsContact CB-OG1 3.29Å; F217-T221 WeakPolarHBondContact CB-OG1 3.37Å; F217-T221 HydrophobicContact CG-CG2 4.48Å; F217-T221 VanDerWaalsContact CG-OG1 3.32Å; F217-T221 WeakPolarHBondContact CG-OG1 3.16Å; E219-T221 PolarHBondContact O-N 3.08Å; E219-T221 VanDerWaalsContact O-N 3.1Å; E219-T221 PolarHBondContact O-OG1 3.19Å; T221-A247 HydrophobicContact CG2-CB 4.04Å; T221-V248 CarbonylContact C-O 3.6Å; T221-V248 WeakPolarHBondContact CA-O 3.41Å; T221-I260 HydrophobicContact CG2-CD1 3.47Å; T221-I260 VanDerWaalsContact CG2-CD1 3.47Å; T221-I260 HydrophobicContact CG2-CG1 4.26Å
222L96.8Very high92.9Very high0 Ų038.5 Ų38.50%020%0.204CC..EExtended strand (participates in β ladder)trans-94.2126.3177.2-176.869.7000110.4A152 L160 I211 F213 L224 A247 V248 L250A152-L222 HydrophobicContact CB-CD1 3.98Å; A152-L222 HydrophobicContact CB-CD2 3.8Å; L160-L222 HydrophobicContact CD1-CD2 3.69Å; L160-L222 HydrophobicContact CD2-CD2 3.87Å; L160-L222 HydrophobicContact CG-CD2 4.42Å; I211-L222 HydrophobicContact CB-CD1 4.21Å; F213-L222 HydrophobicContact CD1-CB 4.21Å; F213-L222 HydrophobicContact CD1-CD1 4.31Å; F213-L222 HydrophobicContact CD2-CD1 3.96Å; F213-L222 HydrophobicContact CE1-CB 3.91Å; F213-L222 HydrophobicContact CE1-CD1 4.18Å; F213-L222 HydrophobicContact CE2-CD1 3.85Å; F213-L222 HydrophobicContact CG-CD1 4.2Å; F213-L222 HydrophobicContact CZ-CB 4.35Å; F213-L222 HydrophobicContact CZ-CD1 3.96Å; L222-L224 HydrophobicContact CD2-CD1 4.05Å; L222-L224 HydrophobicContact CD2-CG 4.42Å; L222-L224 HydrophobicContact CG-CD1 4.08Å; L222-A247 CarbonylContact O-C 3.52Å; L222-A247 WeakPolarHBondContact O-CA 3.47Å; L222-V248 PolarHBondContact N-O 3.25Å; L222-V248 PolarHBondContact O-N 3.41Å; L222-L250 HydrophobicContact CB-CD1 4.36Å
223L96.8Very high92.5Very high0 Ų043.7 Ų43.70%024%0.235CC..EExtended strand (participates in β ladder)trans-98.5133.5170.8-166.773.7000109.7I211 C212 L214 I245 I246 A247 W261 M273 I283I211-L223 WeakPolarHBondContact CA-O 3.29Å; C212-L223 PolarHBondContact N-O 3.21Å; C212-L223 PolarHBondContact O-N 2.81Å; L214-L223 HydrophobicContact CD2-CB 4.2Å; L214-L223 HydrophobicContact CD2-CD2 4.16Å; L214-L223 HydrophobicContact CG-CB 4.22Å; L223-I245 HydrophobicContact CD1-CB 4.23Å; L223-I245 HydrophobicContact CD1-CD1 4.29Å; L223-I246 CarbonylContact C-O 3.45Å; L223-I246 WeakPolarHBondContact CA-O 3.39Å; L223-A247 HydrophobicContact CD1-CB 3.71Å; L223-W261 HydrophobicContact CD1-CE3 4Å; L223-W261 HydrophobicContact CD1-CZ3 4.03Å; L223-W261 HydrophobicContact CD2-CZ3 4.45Å; L223-M273 HydrophobicContact CB-SD 4.06Å; L223-M273 HydrophobicContact CD2-CE 4Å; L223-M273 HydrophobicContact CD2-SD 3.6Å; L223-M273 VanDerWaalsContact CD2-SD 3.6Å; L223-M273 HydrophobicContact CG-CE 4.1Å; L223-M273 HydrophobicContact CG-SD 3.95Å; L223-I283 HydrophobicContact CD2-CB 3.99Å; L223-I283 HydrophobicContact CD2-CD1 3.91Å; L223-I283 HydrophobicContact CD2-CG1 3.71Å; L223-I283 HydrophobicContact CD2-CG2 4Å
224L96.3Very high92Very high0 Ų048.9 Ų48.90%027%0.272CS..EExtended strand (participates in β ladder)trans-117.9129.1175.3-59.189.7000109.5I154 L198 L205 V208 I211 L222 I245 I246 V248I154-L224 HydrophobicContact CD1-CD2 4.33Å; L198-L224 HydrophobicContact CD2-CD2 4.03Å; L205-L224 HydrophobicContact CD2-CB 4.48Å; L205-L224 HydrophobicContact CD2-CD2 4.4Å; V208-L224 HydrophobicContact CG1-CD2 4.4Å; V208-L224 HydrophobicContact CG2-CD2 4.33Å; I211-L224 HydrophobicContact CG2-CB 4.41Å; I211-L224 HydrophobicContact CG2-CD2 4.18Å; I211-L224 HydrophobicContact CG2-CG 3.96Å; L222-L224 HydrophobicContact CD2-CD1 4.05Å; L222-L224 HydrophobicContact CD2-CG 4.42Å; L222-L224 HydrophobicContact CG-CD1 4.08Å; L224-I245 VanDerWaalsContact O-CA 3.27Å; L224-I245 WeakPolarHBondContact O-CA 3.44Å; L224-I246 HydrophobicContact CB-CG2 4.02Å; L224-I246 HydrophobicContact CD1-CG2 4.12Å; L224-I246 PolarHBondContact N-O 2.98Å; L224-I246 PolarHBondContact O-N 3.1Å; L224-V248 HydrophobicContact CD1-CG2 3.85Å
225L96.2Very high91.8Very high0 Ų053 Ų530%029%0.287CS..EExtended strand (participates in β ladder)trans-97.3126.6166.4173.271.9000108V208 A209 D210 F243 I245 L266 C270 M273V208-L225 CarbonylContact C-O 3.56Å; V208-L225 WeakPolarHBondContact CA-O 3.39Å; A209-L225 HydrophobicContact CB-CD2 4.17Å; A209-L225 HydrophobicContact CB-CG 4.24Å; A209-L225 PolarHBondContact N-O 3.37Å; D210-L225 PolarHBondContact N-O 2.85Å; D210-L225 PolarHBondContact O-N 2.97Å; L225-F243 HydrophobicContact CD1-CB 4.24Å; L225-F243 HydrophobicContact CD1-CD1 3.51Å; L225-F243 HydrophobicContact CD1-CE1 4.28Å; L225-F243 HydrophobicContact CD1-CG 4.25Å; L225-F243 HydrophobicContact CD2-CD1 4.37Å; L225-F243 HydrophobicContact CD2-CE1 4.38Å; L225-F243 HydrophobicContact CG-CD1 3.7Å; L225-F243 HydrophobicContact CG-CE1 3.97Å; L225-I245 HydrophobicContact CB-CG2 4.32Å; L225-I245 HydrophobicContact CD1-CG2 3.81Å; L225-L266 HydrophobicContact CD1-CD1 4.41Å; L225-C270 HydrophobicContact CD1-CB 4.18Å; L225-C270 HydrophobicContact CD2-CB 4.02Å; L225-M273 HydrophobicContact CB-CE 3.15Å; L225-M273 HydrophobicContact CG-CE 4.4Å
226Y95Very high91.6Very high2 Ų250.8 Ų50.81%0.00828%0.278CS..EExtended strand (participates in β ladder)trans-150.5158.9-173.269.8-79000111.5R204 L205 H207 P228 F243 C244 I246R204-Y226 HydrophobicContact CB-CE2 4.31Å; R204-Y226 VanDerWaalsContact O-CE2 3.31Å; R204-Y226 WeakPolarHBondContact O-CE2 3.09Å; L205-Y226 HydrophobicContact CD2-CD1 3.45Å; L205-Y226 VanDerWaalsContact CD2-CD1 3.45Å; L205-Y226 HydrophobicContact CD2-CD2 3.75Å; L205-Y226 HydrophobicContact CD2-CE1 3.65Å; L205-Y226 HydrophobicContact CD2-CE2 3.89Å; L205-Y226 HydrophobicContact CD2-CG 3.51Å; L205-Y226 HydrophobicContact CG-CD2 4.38Å; L205-Y226 HydrophobicContact CG-CE1 4.44Å; L205-Y226 HydrophobicContact CG-CE2 4.16Å; H207-Y226 WeakPolarHBondContact O-CA 3.42Å; Y226-P228 HydrophobicContact CD2-CG 4.01Å; Y226-P228 HydrophobicContact CE2-CG 3.7Å; Y226-F243 WeakPolarHBondContact O-CD1 3.42Å; Y226-C244 HydrophobicContact CD1-CB 4.25Å; Y226-C244 VanDerWaalsContact CD1-O 3.32Å; Y226-C244 WeakPolarHBondContact CD1-O 3.13Å; Y226-C244 HydrophobicContact CE1-CB 3.68Å; Y226-C244 HydrophobicContact CE2-CB 4.07Å; Y226-C244 PolarHBondContact N-O 2.84Å; Y226-C244 PolarHBondContact O-N 2.64Å; Y226-I246 HydrophobicContact CD1-CG2 4.14Å; Y226-I246 HydrophobicContact CE1-CB 3.89Å; Y226-I246 HydrophobicContact CE1-CG2 3.61Å
227E94.2Very high91.5Very high13 Ų1355 Ų556%0.06129%0.293CS..  trans-118.9102.4178.7-165.8-176-170.900109.9F206 H207 I229 Q230 T231 T242 F243F206-E227 CarbonylContact O-C 3.12Å; F206-E227 PolarHBondContact O-N 2.88Å; F206-E227 VanDerWaalsContact O-O 3.1Å; H207-E227 HydrophobicContact CB-CB 4.41Å; H207-E227 PolarHBondContact CD2-O 3.34Å; H207-E227 PolarHBondContact O-N 2.86Å; E227-I229 PolarHBondContact O-N 2.95Å; E227-I229 VanDerWaalsContact OE1-O 3.11Å; E227-Q230 WeakPolarHBondContact OE2-CA 3.34Å; E227-T231 WeakPolarHBondContact OE1-CB 3.34Å; E227-T231 PolarHBondContact OE1-N 3.04Å; E227-T242 WeakPolarHBondContact OE1-CB 3.45Å; E227-T242 PolarHBondContact OE1-OG1 3.49Å; E227-F243 HydrophobicContact CB-CD1 4.21Å; E227-F243 HydrophobicContact CB-CD2 4.35Å; E227-F243 HydrophobicContact CB-CE1 3.97Å; E227-F243 HydrophobicContact CB-CE2 4.08Å; E227-F243 HydrophobicContact CB-CG 4.43Å; E227-F243 HydrophobicContact CB-CZ 3.92Å; E227-F243 HydrophobicContact CG-CD2 4.22Å; E227-F243 HydrophobicContact CG-CE2 4.11Å; E227-F243 HydrophobicContact CG-CZ 4.45Å
228P92.7Very high91.5Very high32 Ų3257.8 Ų57.821%0.20831%0.31CS..SBendtrans-56.4-35.5179.9-24.631.3000114R204 Y226 T242R204-P228 HydrophobicContact CB-CB 4.29Å; R204-P228 HydrophobicContact CB-CG 4.36Å; Y226-P228 HydrophobicContact CD2-CG 4.01Å; Y226-P228 HydrophobicContact CE2-CG 3.7Å; P228-T242 WeakPolarHBondContact CD-O 3.13Å
229I90.2Very high91.5Very high93 Ų9353.5 Ų53.548%0.47729%0.286SS..SBendtrans-133.6105.8-179.6-57174.7000108.3E227 T231E227-I229 PolarHBondContact O-N 2.95Å; E227-I229 VanDerWaalsContact OE1-O 3.11Å; I229-T231 PolarHBondContact O-N 3.25Å; I229-T231 PolarHBondContact O-OG1 3.46Å
230Q87.6Confident91.4Very high122 Ų12252.6 Ų52.657%0.5728%0.281SS*.  trans-55.7127.1-179.1-163.6176.91700112.4E227E227-Q230 WeakPolarHBondContact OE2-CA 3.34Å
231T90Very high91.3Very high12 Ų1253.3 Ų53.37%0.07429%0.285CS..  trans-121.2157.2179.7-630000110.1E227 I229 R235 R239 T242 F268E227-T231 WeakPolarHBondContact OE1-CB 3.34Å; E227-T231 PolarHBondContact OE1-N 3.04Å; I229-T231 PolarHBondContact O-N 3.25Å; I229-T231 PolarHBondContact O-OG1 3.46Å; T231-R235 HydrophobicContact CG2-CB 3.87Å; T231-R239 HydrophobicContact CG2-CB 4.33Å; T231-T242 HydrophobicContact CG2-CG2 4.43Å; T231-T242 VanDerWaalsContact OG1-CG2 3.31Å; T231-T242 WeakPolarHBondContact OG1-CG2 3.26Å; T231-F268 HydrophobicContact CG2-CB 4.39Å
232T86.8Confident91.2Very high74 Ų7454.2 Ų54.245%0.45429%0.29SS..  trans-129163.7177.4640000108.7S234 R235 V236T232-S234 PolarHBondContact O-N 2.79Å; T232-S234 VanDerWaalsContact O-N 3.13Å; T232-R235 WeakPolarHBondContact O-CA 3.4Å; T232-R235 WeakPolarHBondContact O-CB 3.48Å; T232-R235 PolarHBondContact O-N 3.27Å; T232-V236 PolarHBondContact O-N 3.34Å
233V87.8Confident91.2Very high115 Ų11554.8 Ų54.870%0.69729%0.293SS*.G310 helixtrans-51.3-40.4-179.4-1780000112.2R235 V236 F268V233-R235 PolarHBondContact O-N 3.38Å; V233-V236 WeakPolarHBondContact O-CB 3.34Å; V233-V236 WeakPolarHBondContact O-CG2 3.35Å; V233-V236 PolarHBondContact O-N 2.71Å; V233-F268 HydrophobicContact CG2-CE2 4.05Å; V233-F268 HydrophobicContact CG2-CZ 4.46Å
234S86.8Confident91.1Very high112 Ų11255.3 Ų55.378%0.78330%0.296SS*.G310 helixtrans-66.7-16178.2-43.30000114.6T232T232-S234 PolarHBondContact O-N 2.79Å; T232-S234 VanDerWaalsContact O-N 3.13Å
235R90.1Very high91.1Very high95 Ų9555.3 Ų55.336%0.35830%0.296SS..G310 helixtrans-101.2-1.1-179.2-64-173.175.6-178.712.1113.2T231 T232 V233 V237 I238 R239T231-R235 HydrophobicContact CG2-CB 3.87Å; T232-R235 WeakPolarHBondContact O-CA 3.4Å; T232-R235 WeakPolarHBondContact O-CB 3.48Å; T232-R235 PolarHBondContact O-N 3.27Å; V233-R235 PolarHBondContact O-N 3.38Å; R235-V237 PolarHBondContact O-N 2.78Å; R235-I238 WeakPolarHBondContact O-CA 2.67Å; R235-I238 WeakPolarHBondContact O-CB 3.33Å; R235-I238 PolarHBondContact O-N 2.88Å; R235-R239 VanDerWaalsContact NH2-NH1 3.13Å; R235-R239 PolarHBondContact O-N 3.38Å
236V87.5Confident91.1Very high14 Ų1455.4 Ų55.49%0.08530%0.296CS..THydrogen-bonded Turntrans-57.1-33179.4174.80000112T232 V233 I238 R239 K240 F268 T312T232-V236 PolarHBondContact O-N 3.34Å; V233-V236 WeakPolarHBondContact O-CB 3.34Å; V233-V236 WeakPolarHBondContact O-CG2 3.35Å; V233-V236 PolarHBondContact O-N 2.71Å; V236-I238 PolarHBondContact O-N 2.92Å; V236-I238 VanDerWaalsContact O-N 3.16Å; V236-R239 WeakPolarHBondContact CA-O 3.14Å; V236-R239 CarbonylContact O-C 3.58Å; V236-R239 PolarHBondContact O-N 3.48Å; V236-K240 HydrophobicContact CG1-CG 4.04Å; V236-K240 WeakPolarHBondContact O-CG 3.43Å; V236-F268 HydrophobicContact CB-CE1 4.47Å; V236-F268 HydrophobicContact CG1-CD1 4.46Å; V236-F268 HydrophobicContact CG1-CE1 4.17Å; V236-F268 HydrophobicContact CG2-CD1 3.71Å; V236-F268 HydrophobicContact CG2-CD2 3.86Å; V236-F268 HydrophobicContact CG2-CE1 3.41Å; V236-F268 VanDerWaalsContact CG2-CE1 3.41Å; V236-F268 HydrophobicContact CG2-CE2 3.55Å; V236-F268 HydrophobicContact CG2-CG 3.95Å; V236-F268 HydrophobicContact CG2-CZ 3.32Å; V236-T312 HydrophobicContact CG1-CG2 4.4Å; V236-T312 WeakPolarHBondContact CG1-O 3.27Å
237V86.2Confident91.1Very high138 Ų13855.3 Ų55.384%0.83630%0.296SS*.THydrogen-bonded Turntrans-58.3-28.8173.7-179.40000112.5R235R235-V237 PolarHBondContact O-N 2.78Å
238I88.9Confident91.2Very high125 Ų12554.7 Ų54.764%0.64129%0.293SS*.THydrogen-bonded Turntrans-98.1-37-178.9-52.2174.6000110.8R235 V236R235-I238 WeakPolarHBondContact O-CA 2.67Å; R235-I238 WeakPolarHBondContact O-CB 3.33Å; R235-I238 PolarHBondContact O-N 2.88Å; V236-I238 PolarHBondContact O-N 2.92Å; V236-I238 VanDerWaalsContact O-N 3.16Å
239R89.8Confident91.4Very high90 Ų9053.6 Ų53.634%0.3429%0.286SS..  trans-146112-175.1-60.8-176.9-175140.5-1110.5T231 R235 V236 T242T231-R239 HydrophobicContact CG2-CB 4.33Å; R235-R239 VanDerWaalsContact NH2-NH1 3.13Å; R235-R239 PolarHBondContact O-N 3.38Å; V236-R239 WeakPolarHBondContact CA-O 3.14Å; V236-R239 CarbonylContact O-C 3.58Å; V236-R239 PolarHBondContact O-N 3.48Å; R239-T242 HydrophobicContact CB-CG2 3.78Å
240K89.2Confident91.6Very high60 Ų6049.2 Ų49.226%0.26126%0.264SS..SBendtrans-94.4-46.1-176.7-68.6-175.1-176.1-174.30113.2V236 F268 G311 T312 E314V236-K240 HydrophobicContact CG1-CG 4.04Å; V236-K240 WeakPolarHBondContact O-CG 3.43Å; K240-F268 VanDerWaalsContact O-CB 3.22Å; K240-F268 WeakPolarHBondContact O-CB 3.45Å; K240-F268 WeakPolarHBondContact O-CD1 3.2Å; K240-F268 PolarHBondContact O-N 3.22Å; K240-G311 WeakPolarHBondContact CD-O 3.37Å; K240-G311 WeakPolarHBondContact CE-O 3.34Å; K240-G311 PolarHBondContact NZ-O 2.82Å; K240-T312 WeakPolarHBondContact CB-O 3.35Å; K240-T312 WeakPolarHBondContact CG-O 3.48Å; K240-E314 HydrophobicContact CD-CG 3.98Å
241D93.3Very high91.8Very high22 Ų2245.1 Ų45.112%0.11825%0.246CC..  trans-117.481.2-169.9-59-28.7000111.1H265 L266 S313 E314 Y315D241-H265 HydrophobicContact CB-CB 4.08Å; D241-L266 CarbonylContact C-O 3.51Å; D241-L266 WeakPolarHBondContact CA-O 3.02Å; D241-S313 VanDerWaalsContact OD1-CA 3.26Å; D241-S313 WeakPolarHBondContact OD1-CA 3.3Å; D241-S313 VanDerWaalsContact OD1-CB 3.28Å; D241-S313 WeakPolarHBondContact OD1-CB 3.14Å; D241-S313 PolarHBondContact OD1-OG 2.85Å; D241-E314 WeakPolarHBondContact OD2-CA 3.08Å; D241-E314 WeakPolarHBondContact OD2-CB 3.4Å; D241-E314 PolarHBondContact OD2-N 3.12Å; D241-Y315 PolarHBondContact OD2-N 3.12Å
242T94.1Very high91.7Very high19 Ų1945.9 Ų45.912%0.11725%0.249CC..  trans-98.6-18.9-17454.70000114.8E227 P228 T231 R239 L266 F268E227-T242 WeakPolarHBondContact OE1-CB 3.45Å; E227-T242 PolarHBondContact OE1-OG1 3.49Å; P228-T242 WeakPolarHBondContact CD-O 3.13Å; T231-T242 HydrophobicContact CG2-CG2 4.43Å; T231-T242 VanDerWaalsContact OG1-CG2 3.31Å; T231-T242 WeakPolarHBondContact OG1-CG2 3.26Å; R239-T242 HydrophobicContact CB-CG2 3.78Å; T242-L266 PolarHBondContact N-O 3.49Å; T242-L266 VanDerWaalsContact N-O 3.13Å; T242-F268 WeakPolarHBondContact OG1-CB 3.19Å
243F95.6Very high91.7Very high13 Ų1351.3 Ų51.36%0.05727%0.267CS..EExtended strand (participates in β ladder)trans-76.9152.2-178.4-90.5-93.2000112.3A209 L225 Y226 E227 H265 L266 P267 F268 C270A209-F243 HydrophobicContact CB-CE1 3.74Å; A209-F243 HydrophobicContact CB-CZ 4.32Å; L225-F243 HydrophobicContact CD1-CB 4.24Å; L225-F243 HydrophobicContact CD1-CD1 3.51Å; L225-F243 HydrophobicContact CD1-CE1 4.28Å; L225-F243 HydrophobicContact CD1-CG 4.25Å; L225-F243 HydrophobicContact CD2-CD1 4.37Å; L225-F243 HydrophobicContact CD2-CE1 4.38Å; L225-F243 HydrophobicContact CG-CD1 3.7Å; L225-F243 HydrophobicContact CG-CE1 3.97Å; Y226-F243 WeakPolarHBondContact O-CD1 3.42Å; E227-F243 HydrophobicContact CB-CD1 4.21Å; E227-F243 HydrophobicContact CB-CD2 4.35Å; E227-F243 HydrophobicContact CB-CE1 3.97Å; E227-F243 HydrophobicContact CB-CE2 4.08Å; E227-F243 HydrophobicContact CB-CG 4.43Å; E227-F243 HydrophobicContact CB-CZ 3.92Å; E227-F243 HydrophobicContact CG-CD2 4.22Å; E227-F243 HydrophobicContact CG-CE2 4.11Å; E227-F243 HydrophobicContact CG-CZ 4.45Å; F243-H265 PolarHBondContact O-N 3.43Å; F243-L266 HydrophobicContact CB-CB 3.81Å; F243-L266 PolarHBondContact N-O 2.71Å; F243-L266 WeakPolarHBondContact O-CB 3.45Å; F243-L266 PolarHBondContact O-N 2.73Å; F243-P267 VanDerWaalsContact CD2-O 3.29Å; F243-P267 WeakPolarHBondContact CD2-O 3.41Å; F243-F268 WeakPolarHBondContact CE2-O 3.39Å; F243-C270 HydrophobicContact CB-CB 4.2Å; F243-C270 HydrophobicContact CD1-CB 3.89Å; F243-C270 HydrophobicContact CD2-CB 3.94Å; F243-C270 HydrophobicContact CE1-CB 4.19Å; F243-C270 HydrophobicContact CE2-CB 4.27Å; F243-C270 HydrophobicContact CG-CB 3.73Å; F243-C270 HydrophobicContact CZ-CB 4.36Å
244C95.5Very high91.6Very high10 Ų1051.3 Ų51.37%0.06826%0.263CS..EExtended strand (participates in β ladder)trans-137.6153.3177.4-62.20000109.6Y226 V263Y226-C244 HydrophobicContact CD1-CB 4.25Å; Y226-C244 VanDerWaalsContact CD1-O 3.32Å; Y226-C244 WeakPolarHBondContact CD1-O 3.13Å; Y226-C244 HydrophobicContact CE1-CB 3.68Å; Y226-C244 HydrophobicContact CE2-CB 4.07Å; Y226-C244 PolarHBondContact N-O 2.84Å; Y226-C244 PolarHBondContact O-N 2.64Å; C244-V263 CarbonylContact C-O 3.53Å; C244-V263 VanDerWaalsContact CA-O 3.31Å; C244-V263 WeakPolarHBondContact CA-O 3.44Å
245I95.9Very high91.7Very high1 Ų150.9 Ų50.91%0.00525%0.248CC..EExtended strand (participates in β ladder)trans-116.8147165.557.5162.5000110.8L223 L224 L225 W261 A262 V263 L266 M273 I285 L294L223-I245 HydrophobicContact CD1-CB 4.23Å; L223-I245 HydrophobicContact CD1-CD1 4.29Å; L224-I245 VanDerWaalsContact O-CA 3.27Å; L224-I245 WeakPolarHBondContact O-CA 3.44Å; L225-I245 HydrophobicContact CB-CG2 4.32Å; L225-I245 HydrophobicContact CD1-CG2 3.81Å; I245-W261 HydrophobicContact CD1-CE3 4.43Å; I245-W261 HydrophobicContact CD1-CH2 3.64Å; I245-W261 HydrophobicContact CD1-CZ2 3.87Å; I245-W261 HydrophobicContact CD1-CZ3 3.94Å; I245-A262 VanDerWaalsContact O-CA 3.29Å; I245-A262 WeakPolarHBondContact O-CA 3.23Å; I245-V263 HydrophobicContact CD1-CB 4.04Å; I245-V263 HydrophobicContact CD1-CG2 4.01Å; I245-V263 HydrophobicContact CG1-CB 3.65Å; I245-V263 HydrophobicContact CG1-CG2 4.12Å; I245-V263 PolarHBondContact N-O 3.43Å; I245-V263 PolarHBondContact O-N 2.87Å; I245-L266 HydrophobicContact CB-CD1 4.42Å; I245-L266 HydrophobicContact CG1-CD1 4.17Å; I245-L266 HydrophobicContact CG2-CD1 3.74Å; I245-M273 HydrophobicContact CG2-CE 4.36Å; I245-I285 HydrophobicContact CG2-CD1 3.9Å; I245-L294 HydrophobicContact CD1-CD1 3.57Å; I245-L294 HydrophobicContact CG1-CD1 4.4Å
246I95.8Very high91.8Very high1 Ų149.8 Ų49.81%0.00525%0.252CS..EExtended strand (participates in β ladder)trans-140.1130.1172.9-166.8170000110.2D202 L205 L223 L224 Y226 V259 W261 A262D202-I246 HydrophobicContact CB-CD1 3.81Å; L205-I246 HydrophobicContact CD1-CD1 4.48Å; L205-I246 HydrophobicContact CD1-CG2 4.19Å; L205-I246 HydrophobicContact CD2-CG2 3.75Å; L205-I246 HydrophobicContact CG-CG2 4.34Å; L223-I246 CarbonylContact C-O 3.45Å; L223-I246 WeakPolarHBondContact CA-O 3.39Å; L224-I246 HydrophobicContact CB-CG2 4.02Å; L224-I246 HydrophobicContact CD1-CG2 4.12Å; L224-I246 PolarHBondContact N-O 2.98Å; L224-I246 PolarHBondContact O-N 3.1Å; Y226-I246 HydrophobicContact CD1-CG2 4.14Å; Y226-I246 HydrophobicContact CE1-CB 3.89Å; Y226-I246 HydrophobicContact CE1-CG2 3.61Å; I246-V259 HydrophobicContact CD1-CB 4.42Å; I246-V259 HydrophobicContact CD1-CG1 3.74Å; I246-V259 HydrophobicContact CD1-CG2 3.76Å; I246-V259 HydrophobicContact CG1-CG1 3.61Å; I246-V259 HydrophobicContact CG1-CG2 4.25Å; I246-W261 CarbonylContact C-O 3.58Å; I246-W261 WeakPolarHBondContact CA-O 3.41Å; I246-A262 HydrophobicContact CG1-CB 4.26Å
247A95.9Very high92Very high0 Ų052 Ų520%026%0.262CS..EExtended strand (participates in β ladder)trans-102128174.900000109.9T221 L222 L223 V259 I260 W261T221-A247 HydrophobicContact CG2-CB 4.04Å; L222-A247 CarbonylContact O-C 3.52Å; L222-A247 WeakPolarHBondContact O-CA 3.47Å; L223-A247 HydrophobicContact CD1-CB 3.71Å; A247-V259 WeakPolarHBondContact O-CA 3.25Å; A247-I260 HydrophobicContact CB-CD1 4.36Å; A247-I260 HydrophobicContact CB-CG1 3.78Å; A247-I260 PolarHBondContact O-N 3.45Å; A247-W261 HydrophobicContact CB-CB 3.96Å; A247-W261 HydrophobicContact CB-CE3 4.21Å; A247-W261 PolarHBondContact N-O 3.24Å
248V95.8Very high92.4Very high0 Ų048 Ų480%024%0.243CC..EExtended strand (participates in β ladder)trans-121116.9-175.4-174.30000108.4I201 T221 L222 L224 L250 H257 A258I201-V248 HydrophobicContact CG2-CG1 4.35Å; I201-V248 HydrophobicContact CG2-CG2 3.64Å; T221-V248 CarbonylContact C-O 3.6Å; T221-V248 WeakPolarHBondContact CA-O 3.41Å; L222-V248 PolarHBondContact N-O 3.25Å; L222-V248 PolarHBondContact O-N 3.41Å; L224-V248 HydrophobicContact CD1-CG2 3.85Å; V248-L250 HydrophobicContact CG1-CD2 3.94Å; V248-H257 HydrophobicContact CG1-CB 3.72Å; V248-A258 CarbonylContact C-O 3.59Å; V248-A258 WeakPolarHBondContact CA-O 3.38Å
249S95.7Very high92.7Very high10 Ų1045.3 Ų45.37%0.0723%0.232CC..EExtended strand (participates in β ladder)trans-77.9131168.5-162.30000109.5E219 H257 A258E219-S249 VanDerWaalsContact CB-OG 3.25Å; E219-S249 WeakPolarHBondContact CB-OG 3.11Å; E219-S249 PolarHBondContact OE2-OG 2.89Å; S249-H257 VanDerWaalsContact O-CA 3.29Å; S249-H257 WeakPolarHBondContact O-CA 3.49Å; S249-A258 PolarHBondContact N-O 3.05Å; S249-A258 PolarHBondContact O-N 3.08Å
250L94.4Very high92.8Very high1 Ų144 Ų441%0.00523%0.231CC..EExtended strand (participates in β ladder)trans-108.9113.7-178.1-58.3174.6000110.6I162 F213 P220 L222 V248 L252 H257I162-L250 HydrophobicContact CD1-CD1 3.91Å; I162-L250 HydrophobicContact CD1-CD2 3.8Å; I162-L250 HydrophobicContact CD1-CG 4.43Å; I162-L250 HydrophobicContact CG1-CD1 4.48Å; F213-L250 HydrophobicContact CE1-CD1 4.14Å; F213-L250 HydrophobicContact CZ-CD1 4.3Å; P220-L250 WeakPolarHBondContact CD-O 3.31Å; P220-L250 HydrophobicContact CG-CB 4.17Å; P220-L250 WeakPolarHBondContact CG-O 3.28Å; P220-L250 PolarHBondContact O-N 2.81Å; L222-L250 HydrophobicContact CB-CD1 4.36Å; V248-L250 HydrophobicContact CG1-CD2 3.94Å; L250-L252 HydrophobicContact CB-CD2 4.27Å; L250-L252 PolarHBondContact O-N 3.42Å; L250-H257 HydrophobicContact CD2-CB 3.97Å
251N92.4Very high93Very high36 Ų3642.9 Ų42.919%0.19323%0.226CC..EExtended strand (participates in β ladder)trans-88.6101.3169178.2-13.5000109.2K253 D254 Q255 T256N251-K253 VanDerWaalsContact C-N 3.28Å; N251-K253 PolarHBondContact O-N 3.43Å; N251-K253 PolarHBondContact OD1-N 3.14Å; N251-D254 PolarHBondContact ND2-OD2 3.37Å; N251-D254 PolarHBondContact OD1-N 3.38Å; N251-Q255 WeakPolarHBondContact O-CA 3.39Å; N251-Q255 PolarHBondContact O-N 3.04Å; N251-T256 PolarHBondContact N-O 2.83Å; N251-T256 PolarHBondContact O-N 3.03Å
252L88.5Confident92.9Very high28 Ų2844.3 Ų44.315%0.14724%0.24CC..THydrogen-bonded Turntrans-69.4-21.6-175.5-55.1-180000114R149 C150 I162 P164 P220 L250R149-L252 HydrophobicContact CB-CD1 4.13Å; R149-L252 WeakPolarHBondContact O-CD1 3.3Å; C150-L252 HydrophobicContact CB-CD1 3.93Å; C150-L252 HydrophobicContact CB-CD2 3.95Å; I162-L252 HydrophobicContact CG2-CD2 4.13Å; P164-L252 HydrophobicContact CB-CB 4.33Å; P164-L252 HydrophobicContact CB-CD1 4.28Å; P164-L252 HydrophobicContact CB-CD2 4.31Å; P220-L252 HydrophobicContact CG-CD1 4.1Å; P220-L252 HydrophobicContact CG-CD2 4.34Å; P220-L252 HydrophobicContact CG-CG 4.06Å; L250-L252 HydrophobicContact CB-CD2 4.27Å; L250-L252 PolarHBondContact O-N 3.42Å
253K85.8Confident92.9Very high188 Ų18845.2 Ų45.282%0.81725%0.246SC*.THydrogen-bonded Turntrans-77.9-48-179.5-68.4-178.7179.6176.50111.1N251N251-K253 VanDerWaalsContact C-N 3.28Å; N251-K253 PolarHBondContact O-N 3.43Å; N251-K253 PolarHBondContact OD1-N 3.14Å
254D87Confident92.7Very high115 Ų11547.1 Ų47.162%0.61526%0.261SS*.THydrogen-bonded Turntrans-90.2-5.1-177.6-58.7-43.7000112.6N251 T256N251-D254 PolarHBondContact ND2-OD2 3.37Å; N251-D254 PolarHBondContact OD1-N 3.38Å; D254-T256 HydrophobicContact CB-CG2 4Å; D254-T256 PolarHBondContact O-N 3.49Å
255Q89.2Confident92.5Very high103 Ų10352.7 Ų52.748%0.48129%0.285SS..THydrogen-bonded Turntrans55.830.7-173.7-56.4-178.2-7.200112.6Y194 N251Y194-Q255 HydrophobicContact CD1-CG 4.17Å; Y194-Q255 HydrophobicContact CD2-CB 4.38Å; Y194-Q255 HydrophobicContact CE1-CG 4.01Å; Y194-Q255 HydrophobicContact CE2-CB 4.08Å; Y194-Q255 HydrophobicContact CE2-CG 4.44Å; Y194-Q255 HydrophobicContact CG-CG 4.47Å; N251-Q255 WeakPolarHBondContact O-CA 3.39Å; N251-Q255 PolarHBondContact O-N 3.04Å
256T91.1Very high92.5Very high72 Ų7252.7 Ų52.744%0.44229%0.285SS..EExtended strand (participates in β ladder)trans-103.7158.3178.260.20000111.1N251 D254N251-T256 PolarHBondContact N-O 2.83Å; N251-T256 PolarHBondContact O-N 3.03Å; D254-T256 HydrophobicContact CB-CG2 4Å; D254-T256 PolarHBondContact O-N 3.49Å
257H92.6Very high92.4Very high61 Ų6152.7 Ų52.728%0.28229%0.285SS..EExtended strand (participates in β ladder)trans-134.4148.9178.954.3-86000110.3I196 V248 S249 L250I196-H257 HydrophobicContact CD1-CB 4.47Å; V248-H257 HydrophobicContact CG1-CB 3.72Å; S249-H257 VanDerWaalsContact O-CA 3.29Å; S249-H257 WeakPolarHBondContact O-CA 3.49Å; L250-H257 HydrophobicContact CD2-CB 3.97Å
258A94.3Very high92.4Very high54 Ų5453.9 Ų53.945%0.44629%0.29SS..EExtended strand (participates in β ladder)trans-136.6135.6177.100000110.7V248 S249V248-A258 CarbonylContact C-O 3.59Å; V248-A258 WeakPolarHBondContact CA-O 3.38Å; S249-A258 PolarHBondContact N-O 3.05Å; S249-A258 PolarHBondContact O-N 3.08Å
259V94.1Very high92.3Very high67 Ų6754.6 Ų54.641%0.40629%0.294SS..EExtended strand (participates in β ladder)trans-80.4122.9175.1177.40000109I201 I246 A247I201-V259 HydrophobicContact CG2-CG2 3.97Å; I246-V259 HydrophobicContact CD1-CB 4.42Å; I246-V259 HydrophobicContact CD1-CG1 3.74Å; I246-V259 HydrophobicContact CD1-CG2 3.76Å; I246-V259 HydrophobicContact CG1-CG1 3.61Å; I246-V259 HydrophobicContact CG1-CG2 4.25Å; A247-V259 WeakPolarHBondContact O-CA 3.25Å
260I92.3Very high92.2Very high63 Ų6354.5 Ų54.532%0.32329%0.294SS..EExtended strand (participates in β ladder)trans-110.2-26.2-175.862.5169.4000113.8F217 T221 A247F217-I260 HydrophobicContact CD1-CD1 4.16Å; F217-I260 HydrophobicContact CE1-CD1 3.88Å; T221-I260 HydrophobicContact CG2-CD1 3.47Å; T221-I260 VanDerWaalsContact CG2-CD1 3.47Å; T221-I260 HydrophobicContact CG2-CG1 4.26Å; A247-I260 HydrophobicContact CB-CD1 4.36Å; A247-I260 HydrophobicContact CB-CG1 3.78Å; A247-I260 PolarHBondContact O-N 3.45Å
261W92.9Very high92.2Very high37 Ų3757.5 Ų57.514%0.1431%0.309CS..EExtended strand (participates in β ladder)trans-152.9138.4-178.1174.949000109.2L214 L223 I245 I246 A247 V263 I283 L294L214-W261 HydrophobicContact CD1-CE3 4.48Å; L214-W261 HydrophobicContact CD1-CZ3 4.49Å; L223-W261 HydrophobicContact CD1-CE3 4Å; L223-W261 HydrophobicContact CD1-CZ3 4.03Å; L223-W261 HydrophobicContact CD2-CZ3 4.45Å; I245-W261 HydrophobicContact CD1-CE3 4.43Å; I245-W261 HydrophobicContact CD1-CH2 3.64Å; I245-W261 HydrophobicContact CD1-CZ2 3.87Å; I245-W261 HydrophobicContact CD1-CZ3 3.94Å; I246-W261 CarbonylContact C-O 3.58Å; I246-W261 WeakPolarHBondContact CA-O 3.41Å; A247-W261 HydrophobicContact CB-CB 3.96Å; A247-W261 HydrophobicContact CB-CE3 4.21Å; A247-W261 PolarHBondContact N-O 3.24Å; W261-V263 HydrophobicContact CZ2-CG2 3.89Å; W261-I283 HydrophobicContact CH2-CG2 3.99Å; W261-I283 HydrophobicContact CZ3-CG2 4.31Å; W261-L294 HydrophobicContact CH2-CB 3.77Å; W261-L294 HydrophobicContact CZ2-CB 3.98Å
262A92.8Very high92.4Very high51 Ų5157.5 Ų57.542%0.42131%0.307SS..EExtended strand (participates in β ladder)trans-148139.5176.600000109I245 I246I245-A262 VanDerWaalsContact O-CA 3.29Å; I245-A262 WeakPolarHBondContact O-CA 3.23Å; I246-A262 HydrophobicContact CG1-CB 4.26Å
263V93.3Very high92.7Very high39 Ų3956.3 Ų56.324%0.23630%0.301CS..EExtended strand (participates in β ladder)trans-132.4133.9174.9-1780000107.6C244 I245 W261 L266C244-V263 CarbonylContact C-O 3.53Å; C244-V263 VanDerWaalsContact CA-O 3.31Å; C244-V263 WeakPolarHBondContact CA-O 3.44Å; I245-V263 HydrophobicContact CD1-CB 4.04Å; I245-V263 HydrophobicContact CD1-CG2 4.01Å; I245-V263 HydrophobicContact CG1-CB 3.65Å; I245-V263 HydrophobicContact CG1-CG2 4.12Å; I245-V263 PolarHBondContact N-O 3.43Å; I245-V263 PolarHBondContact O-N 2.87Å; W261-V263 HydrophobicContact CZ2-CG2 3.89Å; V263-L266 HydrophobicContact CG1-CD2 4.41Å
264S92.2Very high93.2Very high53 Ų5350 Ų5037%0.37127%0.273SS..EExtended strand (participates in β ladder)trans-114.1173175.654.10000110.6
265H91.7Very high93.6Very high127 Ų12745.9 Ų45.959%0.58825%0.253SS*.EExtended strand (participates in β ladder)trans63.645-180-51.9-67.9000113.1D241 F243D241-H265 HydrophobicContact CB-CB 4.08Å; F243-H265 PolarHBondContact O-N 3.43Å
266L95Very high93.9Very high0 Ų041 Ų410%023%0.23CC..EExtended strand (participates in β ladder)trans-88152.9164.8-60.8173.2000110L225 D241 T242 F243 I245 V263 I285 I292 L294 Y315L225-L266 HydrophobicContact CD1-CD1 4.41Å; D241-L266 CarbonylContact C-O 3.51Å; D241-L266 WeakPolarHBondContact CA-O 3.02Å; T242-L266 PolarHBondContact N-O 3.49Å; T242-L266 VanDerWaalsContact N-O 3.13Å; F243-L266 HydrophobicContact CB-CB 3.81Å; F243-L266 PolarHBondContact N-O 2.71Å; F243-L266 WeakPolarHBondContact O-CB 3.45Å; F243-L266 PolarHBondContact O-N 2.73Å; I245-L266 HydrophobicContact CB-CD1 4.42Å; I245-L266 HydrophobicContact CG1-CD1 4.17Å; I245-L266 HydrophobicContact CG2-CD1 3.74Å; V263-L266 HydrophobicContact CG1-CD2 4.41Å; L266-I285 HydrophobicContact CD1-CD1 3.78Å; L266-I292 HydrophobicContact CD2-CD1 4.41Å; L266-L294 HydrophobicContact CD1-CD1 4.43Å; L266-L294 HydrophobicContact CD2-CD1 4.03Å; L266-Y315 HydrophobicContact CD2-CD2 4.42Å; L266-Y315 HydrophobicContact CD2-CE2 3.84Å
267P94.5Very high94Very high1 Ų139.2 Ų39.21%0.00622%0.22CC..  trans-51.8143.5-177.9-2631.8000113.9F243 D269 C270 I292 F317F243-P267 VanDerWaalsContact CD2-O 3.29Å; F243-P267 WeakPolarHBondContact CD2-O 3.41Å; P267-D269 WeakPolarHBondContact CB-OD1 3.28Å; P267-D269 PolarHBondContact O-N 3.37Å; P267-D269 VanDerWaalsContact O-N 3.1Å; P267-C270 PolarHBondContact O-N 3.47Å; P267-C270 PolarHBondContact O-SG 3.09Å; P267-I292 HydrophobicContact CG-CD1 3.84Å; P267-F317 HydrophobicContact CG-CE2 4.31Å; P267-F317 HydrophobicContact CG-CZ 3.63Å
268F94Very high93.8Very high25 Ų2542 Ų4211%0.1123%0.231CC..THydrogen-bonded Turntrans-62-16.3178.280.8-72.7000114.1T231 V233 V236 K240 T242 F243T231-F268 HydrophobicContact CG2-CB 4.39Å; V233-F268 HydrophobicContact CG2-CE2 4.05Å; V233-F268 HydrophobicContact CG2-CZ 4.46Å; V236-F268 HydrophobicContact CB-CE1 4.47Å; V236-F268 HydrophobicContact CG1-CD1 4.46Å; V236-F268 HydrophobicContact CG1-CE1 4.17Å; V236-F268 HydrophobicContact CG2-CD1 3.71Å; V236-F268 HydrophobicContact CG2-CD2 3.86Å; V236-F268 HydrophobicContact CG2-CE1 3.41Å; V236-F268 VanDerWaalsContact CG2-CE1 3.41Å; V236-F268 HydrophobicContact CG2-CE2 3.55Å; V236-F268 HydrophobicContact CG2-CG 3.95Å; V236-F268 HydrophobicContact CG2-CZ 3.32Å; K240-F268 VanDerWaalsContact O-CB 3.22Å; K240-F268 WeakPolarHBondContact O-CB 3.45Å; K240-F268 WeakPolarHBondContact O-CD1 3.2Å; K240-F268 PolarHBondContact O-N 3.22Å; T242-F268 WeakPolarHBondContact OG1-CB 3.19Å; F243-F268 WeakPolarHBondContact CE2-O 3.39Å
269D94Very high93.6Very high15 Ų1543.7 Ų43.78%0.0824%0.237CC..THydrogen-bonded Turntrans-101.419.6-174.670.3-26.8000113.7P267 A287 M288 N289P267-D269 WeakPolarHBondContact CB-OD1 3.28Å; P267-D269 PolarHBondContact O-N 3.37Å; P267-D269 VanDerWaalsContact O-N 3.1Å; D269-A287 CarbonylContact O-C 3.53Å; D269-A287 VanDerWaalsContact O-CA 3.26Å; D269-A287 WeakPolarHBondContact O-CA 3.43Å; D269-A287 WeakPolarHBondContact OD1-CB 3.41Å; D269-M288 HydrophobicContact CB-CB 4.02Å; D269-M288 PolarHBondContact O-N 2.84Å; D269-M288 WeakPolarHBondContact OD2-CB 3.46Å; D269-M288 PolarHBondContact OD2-N 3.47Å; D269-N289 PolarHBondContact OD2-N 3.07Å; D269-N289 VanDerWaalsContact OD2-N 3.11Å; D269-N289 PolarHBondContact OD2-ND2 2.76Å
270C95.4Very high93.3Very high8 Ų841.1 Ų41.15%0.05422%0.222CC..EExtended strand (participates in β ladder)trans-58.8136.4172.1-68.20000111.9L225 F243 P267 I285L225-C270 HydrophobicContact CD1-CB 4.18Å; L225-C270 HydrophobicContact CD2-CB 4.02Å; F243-C270 HydrophobicContact CB-CB 4.2Å; F243-C270 HydrophobicContact CD1-CB 3.89Å; F243-C270 HydrophobicContact CD2-CB 3.94Å; F243-C270 HydrophobicContact CE1-CB 4.19Å; F243-C270 HydrophobicContact CE2-CB 4.27Å; F243-C270 HydrophobicContact CG-CB 3.73Å; F243-C270 HydrophobicContact CZ-CB 4.36Å; P267-C270 PolarHBondContact O-N 3.47Å; P267-C270 PolarHBondContact O-SG 3.09Å; C270-I285 HydrophobicContact CB-CG2 4.36Å
271L94.1Very high93.2Very high64 Ų6438.8 Ų38.834%0.33521%0.213SC..EExtended strand (participates in β ladder)trans-109.7-60.8-177.2-58.5175.2000112.2F286 L327L271-F286 WeakPolarHBondContact CA-O 3.25Å; L271-F286 WeakPolarHBondContact CB-O 3.45Å; L271-F286 PolarHBondContact N-O 3.5Å; L271-L327 VanDerWaalsContact CD1-O 3.23Å; L271-L327 WeakPolarHBondContact CD1-O 3.47Å
272Y95.6Very high93.1Very high36 Ų3637.7 Ų37.714%0.14121%0.214CC..EExtended strand (participates in β ladder)trans-156.8171.6-175.566-96.4000111.5D210 K274 F286 S330 A332D210-Y272 WeakPolarHBondContact OD2-CB 3.31Å; Y272-K274 HydrophobicContact CD2-CG 4.32Å; Y272-K274 HydrophobicContact CE2-CG 4.07Å; Y272-F286 HydrophobicContact CD1-CB 4.37Å; Y272-F286 HydrophobicContact CD2-CB 4.32Å; Y272-F286 AromaticContact CD2-CD2 3.97Å; Y272-F286 HydrophobicContact CD2-CD2 3.97Å; Y272-F286 HydrophobicContact CD2-CG 4.37Å; Y272-F286 HydrophobicContact CE1-CB 4.05Å; Y272-F286 HydrophobicContact CE1-CG 4.42Å; Y272-F286 HydrophobicContact CE2-CB 3.95Å; Y272-F286 HydrophobicContact CE2-CD1 4.43Å; Y272-F286 AromaticContact CE2-CD2 3.37Å; Y272-F286 HydrophobicContact CE2-CD2 3.37Å; Y272-F286 AromaticContact CE2-CE2 3.97Å; Y272-F286 HydrophobicContact CE2-CE2 3.97Å; Y272-F286 AromaticContact CE2-CG 3.66Å; Y272-F286 HydrophobicContact CE2-CG 3.66Å; Y272-F286 HydrophobicContact CG-CB 4.5Å; Y272-F286 AromaticContact CZ-CD2 3.92Å; Y272-F286 AromaticContact CZ-CG 3.69Å; Y272-F286 PolarHBondContact N-O 2.78Å; Y272-F286 PolarHBondContact O-N 3.33Å; Y272-S330 WeakPolarHBondContact CE1-O 3.26Å; Y272-S330 PolarHBondContact OH-OG 3.12Å; Y272-A332 HydrophobicContact CE2-CB 4.31Å; Y272-A332 PolarHBondContact OH-N 3.02Å
273M95.6Very high93.2Very high3 Ų335.3 Ų35.32%0.01519%0.194CC..EExtended strand (participates in β ladder)trans-127.4153.1-177.469.4170.369.500112.7D210 C212 L223 L225 I245 I283 V284 I285D210-M273 HydrophobicContact CB-CG 4.39Å; D210-M273 WeakPolarHBondContact OD2-CG 3.17Å; D210-M273 PolarHBondContact OD2-N 2.86Å; C212-M273 HydrophobicContact CB-CG 4.19Å; C212-M273 HydrophobicContact CB-SD 4.03Å; C212-M273 PolarHBondContact SG-SD 3.22Å; L223-M273 HydrophobicContact CB-SD 4.06Å; L223-M273 HydrophobicContact CD2-CE 4Å; L223-M273 HydrophobicContact CD2-SD 3.6Å; L223-M273 VanDerWaalsContact CD2-SD 3.6Å; L223-M273 HydrophobicContact CG-CE 4.1Å; L223-M273 HydrophobicContact CG-SD 3.95Å; L225-M273 HydrophobicContact CB-CE 3.15Å; L225-M273 HydrophobicContact CG-CE 4.4Å; I245-M273 HydrophobicContact CG2-CE 4.36Å; M273-I283 HydrophobicContact CB-CD1 3.76Å; M273-I283 HydrophobicContact CB-CG1 3.83Å; M273-I283 HydrophobicContact CG-CD1 3.92Å; M273-I283 HydrophobicContact CG-CG1 4.42Å; M273-I283 HydrophobicContact SD-CD1 3.81Å; M273-I283 HydrophobicContact SD-CG1 4.26Å; M273-V284 CarbonylContact C-O 3.6Å; M273-V284 WeakPolarHBondContact CA-O 3.37Å; M273-I285 HydrophobicContact CB-CG1 4.47Å
274K95.7Very high93.3Very high56 Ų5633.4 Ų33.424%0.24318%0.182CC..EExtended strand (participates in β ladder)trans-130.5117.6175.9-69.3-73.5167161.30110.9Y272 V276 I283 V284 F286 A332 F334Y272-K274 HydrophobicContact CD2-CG 4.32Å; Y272-K274 HydrophobicContact CE2-CG 4.07Å; K274-V276 PolarHBondContact O-N 2.96Å; K274-I283 VanDerWaalsContact C-CD1 3.4Å; K274-I283 WeakPolarHBondContact O-CD1 3.44Å; K274-V284 PolarHBondContact N-O 2.86Å; K274-V284 PolarHBondContact O-N 3.29Å; K274-F286 HydrophobicContact CB-CE2 4.21Å; K274-F286 HydrophobicContact CG-CD2 4.41Å; K274-F286 HydrophobicContact CG-CE2 3.9Å; K274-A332 WeakPolarHBondContact CE-O 3.32Å; K274-A332 PolarHBondContact NZ-O 3.46Å; K274-F334 HydrophobicContact CB-CE2 3.89Å
275P95.8Very high93.5Very high28 Ų2830.9 Ų30.918%0.18217%0.165CC..EExtended strand (participates in β ladder)trans-69.4130.7179.330.1-34.3000110C212 F213 P277 I283 F334C212-P275 HydrophobicContact CB-CG 4.27Å; F213-P275 WeakPolarHBondContact O-CB 3.09Å; P275-P277 WeakPolarHBondContact O-CD 3.37Å; P275-I283 HydrophobicContact CB-CD1 4.27Å; P275-F334 VanDerWaalsContact O-CE2 3.3Å; P275-F334 WeakPolarHBondContact O-CE2 3.48Å
276V94.9Very high93.8Very high1 Ų124.9 Ų24.91%0.00614%0.137CC..PPolyproline II helixtrans-77.5124.8-179.9-178.80000108.5K274 V280 G281 G282 V284 Y293 F334 L354K274-V276 PolarHBondContact O-N 2.96Å; V276-V280 HydrophobicContact CG1-CB 3.77Å; V276-V280 HydrophobicContact CG1-CG1 3.94Å; V276-G281 WeakPolarHBondContact CB-O 3.44Å; V276-G282 PolarHBondContact N-O 3.4Å; V276-V284 HydrophobicContact CG2-CG2 3.82Å; V276-Y293 HydrophobicContact CG2-CD2 4.22Å; V276-Y293 HydrophobicContact CG2-CE2 4.01Å; V276-F334 HydrophobicContact CB-CZ 4.21Å; V276-F334 HydrophobicContact CG1-CE1 4.42Å; V276-F334 HydrophobicContact CG1-CZ 4.4Å; V276-F334 HydrophobicContact CG2-CE1 4.46Å; V276-F334 HydrophobicContact CG2-CZ 3.76Å; V276-L354 HydrophobicContact CG1-CD1 4.02Å; V276-L354 HydrophobicContact CG2-CD1 4.18Å
277P92.7Very high93.8Very high35 Ų3524.9 Ų24.923%0.22714%0.137CC..PPolyproline II helixtrans-62.2160.4179.4-2434.6000113.5P275 V280 G281 F334P275-P277 WeakPolarHBondContact O-CD 3.37Å; P277-V280 PolarHBondContact O-N 2.85Å; P277-G281 PolarHBondContact O-N 3.02Å; P277-F334 HydrophobicContact CG-CB 4.22Å; P277-F334 HydrophobicContact CG-CD2 4.35Å; P277-F334 HydrophobicContact CG-CG 4.16Å
278K89.9Confident93.7Very high119 Ų11928.1 Ų28.152%0.51715%0.153SC..THydrogen-bonded Turntrans-57.8142.7167.1-71.4178.1179.4172.60109.7E147 H215E147-K278 IonicContact OE1-NZ 3.13Å; H215-K278 HydrophobicContact CB-CG 4.24Å
279P88.6Confident93.6Very high89 Ų8927.6 Ų27.658%0.57815%0.151SC*.THydrogen-bonded Turncis-93.9-10.39.235.9-35.8000115.6
280V87.8Confident93.6Very high14 Ų1427 Ų279%0.08515%0.148CC..THydrogen-bonded Turntrans-66.8-49.7-173.6-177.90000111.2V276 P277 V356 V362V276-V280 HydrophobicContact CG1-CB 3.77Å; V276-V280 HydrophobicContact CG1-CG1 3.94Å; P277-V280 PolarHBondContact O-N 2.85Å; V280-V356 HydrophobicContact CG1-CG2 4.43Å; V280-V356 HydrophobicContact CG2-CG1 4.32Å; V280-V356 HydrophobicContact CG2-CG2 4.2Å; V280-V362 HydrophobicContact CG1-CG2 3.67Å
281G90.2Very high93.5Very high13 Ų1326.6 Ų26.613%0.13415%0.145CC..  trans66.3175-178.200000113.8V276 P277 Y293V276-G281 WeakPolarHBondContact CB-O 3.44Å; P277-G281 PolarHBondContact O-N 3.02Å; G281-Y293 PolarHBondContact O-OH 2.75Å
282G91.8Very high93.5Very high15 Ų1523.5 Ų23.516%0.15513%0.129CC..  trans97.5-164.7-172.300000113.3V276 L294V276-G282 PolarHBondContact N-O 3.4Å; G282-L294 CarbonylContact C-O 3.52Å; G282-L294 WeakPolarHBondContact CA-O 3.12Å
283I95Very high93.4Very high0 Ų021.8 Ų21.80%012%0.122CC..EExtended strand (participates in β ladder)trans-137.5142.7-176-170.777.5000110C212 L214 L223 W261 M273 K274 P275 I285 Y293 L294C212-I283 WeakPolarHBondContact SG-CD1 3.33Å; L214-I283 HydrophobicContact CD2-CD1 4.43Å; L223-I283 HydrophobicContact CD2-CB 3.99Å; L223-I283 HydrophobicContact CD2-CD1 3.91Å; L223-I283 HydrophobicContact CD2-CG1 3.71Å; L223-I283 HydrophobicContact CD2-CG2 4Å; W261-I283 HydrophobicContact CH2-CG2 3.99Å; W261-I283 HydrophobicContact CZ3-CG2 4.31Å; M273-I283 HydrophobicContact CB-CD1 3.76Å; M273-I283 HydrophobicContact CB-CG1 3.83Å; M273-I283 HydrophobicContact CG-CD1 3.92Å; M273-I283 HydrophobicContact CG-CG1 4.42Å; M273-I283 HydrophobicContact SD-CD1 3.81Å; M273-I283 HydrophobicContact SD-CG1 4.26Å; K274-I283 VanDerWaalsContact C-CD1 3.4Å; K274-I283 WeakPolarHBondContact O-CD1 3.44Å; P275-I283 HydrophobicContact CB-CD1 4.27Å; I283-I285 HydrophobicContact CG1-CG1 4.36Å; I283-I285 HydrophobicContact CG2-CG1 4.49Å; I283-Y293 WeakPolarHBondContact O-CA 3.43Å; I283-L294 HydrophobicContact CG2-CB 3.7Å; I283-L294 PolarHBondContact N-O 3.18Å; I283-L294 PolarHBondContact O-N 2.64Å
284V95.9Very high93.3Very high0 Ų022 Ų220%012%0.123CC..EExtended strand (participates in β ladder)trans-109122.2166.8-178.30000108.6M273 K274 V276 F286 V291 I292 Y293 F334 L340 L354M273-V284 CarbonylContact C-O 3.6Å; M273-V284 WeakPolarHBondContact CA-O 3.37Å; K274-V284 PolarHBondContact N-O 2.86Å; K274-V284 PolarHBondContact O-N 3.29Å; V276-V284 HydrophobicContact CG2-CG2 3.82Å; V284-F286 HydrophobicContact CB-CE2 4.25Å; V284-F286 HydrophobicContact CG1-CD2 4.26Å; V284-F286 HydrophobicContact CG1-CE2 3.67Å; V284-F286 HydrophobicContact CG1-CZ 3.99Å; V284-V291 HydrophobicContact CG1-CG1 3.42Å; V284-V291 VanDerWaalsContact CG1-CG1 3.42Å; V284-I292 CarbonylContact C-O 3.57Å; V284-I292 WeakPolarHBondContact CA-O 3.4Å; V284-Y293 HydrophobicContact CG2-CD2 4.17Å; V284-F334 HydrophobicContact CG2-CZ 4.13Å; V284-L340 HydrophobicContact CB-CD2 4.4Å; V284-L340 HydrophobicContact CG1-CD2 4.28Å; V284-L340 HydrophobicContact CG2-CD2 4.13Å; V284-L354 HydrophobicContact CG2-CD1 4.5Å; V284-L354 HydrophobicContact CG2-CD2 4.11Å
285I96.5Very high93Very high0 Ų021.1 Ų21.10%012%0.122CC..EExtended strand (participates in β ladder)trans-101.1128.7177.8-57.7178.9000108.2I245 L266 C270 M273 I283 V291 I292 L294I245-I285 HydrophobicContact CG2-CD1 3.9Å; L266-I285 HydrophobicContact CD1-CD1 3.78Å; C270-I285 HydrophobicContact CB-CG2 4.36Å; M273-I285 HydrophobicContact CB-CG1 4.47Å; I283-I285 HydrophobicContact CG1-CG1 4.36Å; I283-I285 HydrophobicContact CG2-CG1 4.49Å; I285-V291 WeakPolarHBondContact O-CA 3.36Å; I285-I292 HydrophobicContact CB-CB 4.38Å; I285-I292 PolarHBondContact N-O 2.89Å; I285-I292 PolarHBondContact O-N 2.76Å; I285-L294 HydrophobicContact CD1-CD1 3.59Å; I285-L294 HydrophobicContact CD1-CG 4.44Å
286F96.7Very high92.4Very high0 Ų025.1 Ų25.10%014%0.138CC..EExtended strand (participates in β ladder)trans-100.7116.7175.3-69-99.3000108.4L271 Y272 K274 V284 V291 L327 A332 L340 V342L271-F286 WeakPolarHBondContact CA-O 3.25Å; L271-F286 WeakPolarHBondContact CB-O 3.45Å; L271-F286 PolarHBondContact N-O 3.5Å; Y272-F286 HydrophobicContact CD1-CB 4.37Å; Y272-F286 HydrophobicContact CD2-CB 4.32Å; Y272-F286 AromaticContact CD2-CD2 3.97Å; Y272-F286 HydrophobicContact CD2-CD2 3.97Å; Y272-F286 HydrophobicContact CD2-CG 4.37Å; Y272-F286 HydrophobicContact CE1-CB 4.05Å; Y272-F286 HydrophobicContact CE1-CG 4.42Å; Y272-F286 HydrophobicContact CE2-CB 3.95Å; Y272-F286 HydrophobicContact CE2-CD1 4.43Å; Y272-F286 AromaticContact CE2-CD2 3.37Å; Y272-F286 HydrophobicContact CE2-CD2 3.37Å; Y272-F286 AromaticContact CE2-CE2 3.97Å; Y272-F286 HydrophobicContact CE2-CE2 3.97Å; Y272-F286 AromaticContact CE2-CG 3.66Å; Y272-F286 HydrophobicContact CE2-CG 3.66Å; Y272-F286 HydrophobicContact CG-CB 4.5Å; Y272-F286 AromaticContact CZ-CD2 3.92Å; Y272-F286 AromaticContact CZ-CG 3.69Å; Y272-F286 PolarHBondContact N-O 2.78Å; Y272-F286 PolarHBondContact O-N 3.33Å; K274-F286 HydrophobicContact CB-CE2 4.21Å; K274-F286 HydrophobicContact CG-CD2 4.41Å; K274-F286 HydrophobicContact CG-CE2 3.9Å; V284-F286 HydrophobicContact CB-CE2 4.25Å; V284-F286 HydrophobicContact CG1-CD2 4.26Å; V284-F286 HydrophobicContact CG1-CE2 3.67Å; V284-F286 HydrophobicContact CG1-CZ 3.99Å; F286-V291 HydrophobicContact CD1-CG2 4.05Å; F286-V291 HydrophobicContact CE1-CG2 4.26Å; F286-L327 HydrophobicContact CD1-CD1 3.89Å; F286-A332 HydrophobicContact CE1-CB 3.84Å; F286-A332 HydrophobicContact CE2-CB 3.93Å; F286-A332 HydrophobicContact CZ-CB 3.46Å; F286-A332 VanDerWaalsContact CZ-CB 3.46Å; F286-L340 HydrophobicContact CZ-CD1 4.17Å; F286-L340 HydrophobicContact CZ-CD2 4.26Å; F286-V342 HydrophobicContact CE1-CG1 4.35Å; F286-V342 HydrophobicContact CE1-CG2 3.79Å; F286-V342 HydrophobicContact CZ-CG2 4.24Å
287A95.1Very high91.8Very high0 Ų029.8 Ų29.80%017%0.17CC..EExtended strand (participates in β ladder)trans-103.716416700000109.7D269 N289 S290 L327D269-A287 CarbonylContact O-C 3.53Å; D269-A287 VanDerWaalsContact O-CA 3.26Å; D269-A287 WeakPolarHBondContact O-CA 3.43Å; D269-A287 WeakPolarHBondContact OD1-CB 3.41Å; A287-N289 PolarHBondContact O-N 3.42Å; A287-S290 CarbonylContact C-O 3.58Å; A287-S290 WeakPolarHBondContact CA-O 3.43Å; A287-S290 WeakPolarHBondContact CB-O 3.28Å; A287-S290 WeakPolarHBondContact CB-OG 3.33Å; A287-S290 PolarHBondContact N-O 2.83Å; A287-S290 VanDerWaalsContact O-O 3.06Å; A287-L327 WeakPolarHBondContact O-CB 3.26Å; A287-L327 WeakPolarHBondContact O-CD1 3.45Å
288M93.5Very high91.3Very high70 Ų7028.7 Ų28.735%0.34516%0.163SC..SBendtrans-56.1-40.3-178.5-179172.8176.900112.4D269 L327 D328D269-M288 HydrophobicContact CB-CB 4.02Å; D269-M288 PolarHBondContact O-N 2.84Å; D269-M288 WeakPolarHBondContact OD2-CB 3.46Å; D269-M288 PolarHBondContact OD2-N 3.47Å; M288-L327 PolarHBondContact O-N 2.75Å; M288-D328 HydrophobicContact CE-CB 4.24Å; M288-D328 HydrophobicContact CG-CB 4.22Å; M288-D328 HydrophobicContact SD-CB 4.43Å
289N91.9Very high90.9Very high13 Ų1326.9 Ų26.97%0.0716%0.163CC..SBendtrans-112.5-3.9-176.3-55.5-57.8000114.5D269 A287 L304 L305 N306D269-N289 PolarHBondContact OD2-N 3.07Å; D269-N289 VanDerWaalsContact OD2-N 3.11Å; D269-N289 PolarHBondContact OD2-ND2 2.76Å; A287-N289 PolarHBondContact O-N 3.42Å; N289-L304 HydrophobicContact CB-CD1 4.39Å; N289-L305 WeakPolarHBondContact O-CB 3.16Å; N289-L305 PolarHBondContact O-N 3.05Å; N289-N306 PolarHBondContact OD1-ND2 3.13Å; N289-N306 PolarHBondContact OD1-OD1 3.1Å
290S92.1Very high90.7Very high2 Ų226.2 Ų26.21%0.01416%0.159CC..EExtended strand (participates in β ladder)trans-147.4159.2-172.4700000112.8A287 V303 F317A287-S290 CarbonylContact C-O 3.58Å; A287-S290 WeakPolarHBondContact CA-O 3.43Å; A287-S290 WeakPolarHBondContact CB-O 3.28Å; A287-S290 WeakPolarHBondContact CB-OG 3.33Å; A287-S290 PolarHBondContact N-O 2.83Å; A287-S290 VanDerWaalsContact O-O 3.06Å; S290-V303 CarbonylContact C-O 3.53Å; S290-V303 WeakPolarHBondContact CA-O 3.3Å; S290-V303 WeakPolarHBondContact CB-O 3.22Å; S290-F317 VanDerWaalsContact CB-CE1 3.42Å; S290-F317 WeakPolarHBondContact OG-CE1 3.38Å; S290-F317 VanDerWaalsContact OG-CZ 3.3Å; S290-F317 WeakPolarHBondContact OG-CZ 3.21Å
291V94.1Very high90.6Very high0 Ų025.9 Ų25.90%016%0.157CC..EExtended strand (participates in β ladder)trans-125.4133.8170.1179.80000109.3V284 I285 F286 G302 V303 L305 L327 L365 F367V284-V291 HydrophobicContact CG1-CG1 3.42Å; V284-V291 VanDerWaalsContact CG1-CG1 3.42Å; I285-V291 WeakPolarHBondContact O-CA 3.36Å; F286-V291 HydrophobicContact CD1-CG2 4.05Å; F286-V291 HydrophobicContact CE1-CG2 4.26Å; V291-G302 CarbonylContact O-C 3.45Å; V291-G302 VanDerWaalsContact O-CA 3.31Å; V291-G302 WeakPolarHBondContact O-CA 3.33Å; V291-V303 PolarHBondContact N-O 2.92Å; V291-V303 PolarHBondContact O-N 3.22Å; V291-L305 HydrophobicContact CG2-CD1 4.01Å; V291-L327 HydrophobicContact CG2-CD1 3.4Å; V291-L327 VanDerWaalsContact CG2-CD1 3.4Å; V291-L365 HydrophobicContact CB-CD1 4.48Å; V291-L365 HydrophobicContact CG1-CD1 3.96Å; V291-F367 HydrophobicContact CB-CE2 4.36Å; V291-F367 HydrophobicContact CB-CZ 4.23Å; V291-F367 HydrophobicContact CG2-CE2 4.1Å; V291-F367 HydrophobicContact CG2-CZ 3.56Å
292I93.9Very high90.4Very high0 Ų025.3 Ų25.30%015%0.152CC..EExtended strand (participates in β ladder)trans-125.2124.7-176-55.8171.4000109.6L266 P267 V284 I285 L294 C301 Y315 F317L266-I292 HydrophobicContact CD2-CD1 4.41Å; P267-I292 HydrophobicContact CG-CD1 3.84Å; V284-I292 CarbonylContact C-O 3.57Å; V284-I292 WeakPolarHBondContact CA-O 3.4Å; I285-I292 HydrophobicContact CB-CB 4.38Å; I285-I292 PolarHBondContact N-O 2.89Å; I285-I292 PolarHBondContact O-N 2.76Å; I292-L294 HydrophobicContact CG2-CD2 3.85Å; I292-L294 HydrophobicContact CG2-CG 3.87Å; I292-C301 CarbonylContact C-O 3.59Å; I292-C301 WeakPolarHBondContact CA-O 3.46Å; I292-Y315 HydrophobicContact CD1-CD1 4.09Å; I292-Y315 HydrophobicContact CD1-CE1 3.9Å; I292-Y315 HydrophobicContact CD1-CE2 4.45Å; I292-Y315 HydrophobicContact CD1-CG 4.43Å; I292-Y315 HydrophobicContact CG1-CE1 4.07Å; I292-Y315 HydrophobicContact CG2-CE1 3.89Å; I292-Y315 WeakPolarHBondContact CG2-OH 3.27Å; I292-F317 HydrophobicContact CD1-CE1 3.94Å; I292-F317 HydrophobicContact CD1-CZ 4.17Å; I292-F317 HydrophobicContact CG1-CE1 3.76Å; I292-F317 HydrophobicContact CG1-CZ 4.46Å
293Y94.1Very high90.3Very high0 Ų024.8 Ų24.80%015%0.145CC..EExtended strand (participates in β ladder)trans-92.5131.8164.3169.8-93.9000110.4V276 G281 I283 V284 N295 V298 C301 L354 V362V276-Y293 HydrophobicContact CG2-CD2 4.22Å; V276-Y293 HydrophobicContact CG2-CE2 4.01Å; G281-Y293 PolarHBondContact O-OH 2.75Å; I283-Y293 WeakPolarHBondContact O-CA 3.43Å; V284-Y293 HydrophobicContact CG2-CD2 4.17Å; Y293-N295 HydrophobicContact CE1-CB 3.97Å; Y293-N295 WeakPolarHBondContact OH-CB 3.35Å; Y293-N295 PolarHBondContact OH-ND2 3.28Å; Y293-N295 VanDerWaalsContact OH-ND2 3.09Å; Y293-V298 HydrophobicContact CE1-CB 4.23Å; Y293-V298 HydrophobicContact CE1-CG1 4.11Å; Y293-C301 PolarHBondContact N-O 2.81Å; Y293-C301 PolarHBondContact O-N 2.85Å; Y293-C301 VanDerWaalsContact O-N 3.1Å; Y293-L354 HydrophobicContact CD2-CD2 3.96Å; Y293-L354 HydrophobicContact CG-CD2 4.3Å; Y293-V362 HydrophobicContact CD1-CB 3.72Å; Y293-V362 HydrophobicContact CD1-CG1 3.94Å; Y293-V362 HydrophobicContact CD1-CG2 4.14Å; Y293-V362 HydrophobicContact CD2-CG2 4.12Å; Y293-V362 HydrophobicContact CE1-CB 3.49Å; Y293-V362 VanDerWaalsContact CE1-CB 3.49Å; Y293-V362 HydrophobicContact CE1-CG1 4.23Å; Y293-V362 HydrophobicContact CE1-CG2 3.68Å; Y293-V362 HydrophobicContact CE2-CB 4.29Å; Y293-V362 HydrophobicContact CE2-CG2 3.63Å; Y293-V362 HydrophobicContact CG-CB 4.22Å; Y293-V362 HydrophobicContact CG-CG1 4.1Å; Y293-V362 HydrophobicContact CG-CG2 4.34Å
294L93Very high90.1Very high7 Ų725.4 Ų25.44%0.03715%0.149CC..EExtended strand (participates in β ladder)trans-129.7141.7175.5-61.7176.4000111I245 W261 L266 G282 I283 I285 I292 P300 Y315I245-L294 HydrophobicContact CD1-CD1 3.57Å; I245-L294 HydrophobicContact CG1-CD1 4.4Å; W261-L294 HydrophobicContact CH2-CB 3.77Å; W261-L294 HydrophobicContact CZ2-CB 3.98Å; L266-L294 HydrophobicContact CD1-CD1 4.43Å; L266-L294 HydrophobicContact CD2-CD1 4.03Å; G282-L294 CarbonylContact C-O 3.52Å; G282-L294 WeakPolarHBondContact CA-O 3.12Å; I283-L294 HydrophobicContact CG2-CB 3.7Å; I283-L294 PolarHBondContact N-O 3.18Å; I283-L294 PolarHBondContact O-N 2.64Å; I285-L294 HydrophobicContact CD1-CD1 3.59Å; I285-L294 HydrophobicContact CD1-CG 4.44Å; I292-L294 HydrophobicContact CG2-CD2 3.85Å; I292-L294 HydrophobicContact CG2-CG 3.87Å; L294-P300 HydrophobicContact CD2-CB 3.68Å; L294-Y315 WeakPolarHBondContact CD2-OH 3.44Å
295N90.2Very high89.8Confident38 Ų3825.4 Ų25.420%0.20315%0.149CC..  trans-148.5151.6170.1-172-24.4000108.1Y293 S297 V298Y293-N295 HydrophobicContact CE1-CB 3.97Å; Y293-N295 WeakPolarHBondContact OH-CB 3.35Å; Y293-N295 PolarHBondContact OH-ND2 3.28Å; Y293-N295 VanDerWaalsContact OH-ND2 3.09Å; N295-S297 PolarHBondContact O-N 2.99Å; N295-S297 PolarHBondContact OD1-N 2.81Å; N295-V298 HydrophobicContact CB-CB 4.05Å; N295-V298 HydrophobicContact CB-CG2 3.95Å; N295-V298 VanDerWaalsContact O-O 3.11Å
296Q83.7Confident89.4Confident112 Ų11225.4 Ų25.452%0.52315%0.149SC..SBendtrans-62.6-30.1-179.7-172.917618.600112.6
297S82.1Confident88.9Confident98 Ų9826.5 Ų26.569%0.68515%0.154SC*.SBendtrans-105-7.6-172.2-50.40000114.4N295N295-S297 PolarHBondContact O-N 2.99Å; N295-S297 PolarHBondContact OD1-N 2.81Å
298V82.4Confident88.4Confident12 Ų1229.4 Ų29.47%0.07317%0.169CC..SBendtrans-118.9140.3-173.7-174.10000107.9Y293 N295 M361 V362Y293-V298 HydrophobicContact CE1-CB 4.23Å; Y293-V298 HydrophobicContact CE1-CG1 4.11Å; N295-V298 HydrophobicContact CB-CB 4.05Å; N295-V298 HydrophobicContact CB-CG2 3.95Å; N295-V298 VanDerWaalsContact O-O 3.11Å; V298-M361 HydrophobicContact CB-CE 3.82Å; V298-M361 HydrophobicContact CG1-CE 3.93Å; V298-M361 HydrophobicContact CG2-CE 3.28Å; V298-M361 HydrophobicContact CG2-SD 3.52Å; V298-M361 VanDerWaalsContact CG2-SD 3.52Å; V298-V362 WeakPolarHBondContact CG1-O 3.11Å
299P81.5Confident87.9Confident81 Ų8126.2 Ų26.253%0.52615%0.154SC..  trans-55.9146.6171.924-34.9000111.4
300P83.2Confident87.6Confident75 Ų7531.9 Ų31.949%0.48718%0.175SC..  trans-58.5139.7175.721.6-30.8000111.3L294 Y315L294-P300 HydrophobicContact CD2-CB 3.68Å; P300-Y315 WeakPolarHBondContact CB-OH 3.48Å
301C85.2Confident87.2Confident7 Ų734.3 Ų34.35%0.04720%0.201CC..EExtended strand (participates in β ladder)trans-125.4124.7173.7173.70000108.9I292 Y293 D364I292-C301 CarbonylContact C-O 3.59Å; I292-C301 WeakPolarHBondContact CA-O 3.46Å; Y293-C301 PolarHBondContact N-O 2.81Å; Y293-C301 PolarHBondContact O-N 2.85Å; Y293-C301 VanDerWaalsContact O-N 3.1Å; C301-D364 VanDerWaalsContact SG-CA 3.52Å
302G87.5Confident86.8Confident2 Ų235.5 Ų35.52%0.02121%0.208CC..EExtended strand (participates in β ladder)trans-133.7140.3179.400000112.3V291 F317 H318V291-G302 CarbonylContact O-C 3.45Å; V291-G302 VanDerWaalsContact O-CA 3.31Å; V291-G302 WeakPolarHBondContact O-CA 3.33Å; G302-F317 WeakPolarHBondContact O-CA 3.47Å; G302-H318 PolarHBondContact O-N 3.17Å
303V89.8Confident86.6Confident4 Ų436.4 Ų36.42%0.02421%0.214CC..EExtended strand (participates in β ladder)trans-119.9129.6176.3177.60000110.3S290 V291 L305 H318 L365S290-V303 CarbonylContact C-O 3.53Å; S290-V303 WeakPolarHBondContact CA-O 3.3Å; S290-V303 WeakPolarHBondContact CB-O 3.22Å; V291-V303 PolarHBondContact N-O 2.92Å; V291-V303 PolarHBondContact O-N 3.22Å; V303-L305 HydrophobicContact CG1-CD2 4.15Å; V303-H318 CarbonylContact C-O 3.14Å; V303-H318 VanDerWaalsContact CA-O 3.32Å; V303-H318 WeakPolarHBondContact CA-O 3.01Å; V303-L365 HydrophobicContact CG2-CB 3.75Å
304L89.7Confident86.1Confident13 Ų1343.9 Ų43.97%0.06825%0.249CC..EExtended strand (participates in β ladder)trans-89.6127.3172.4-168.268.8000109.7N289 R310 F317 H318 F319 S320N289-L304 HydrophobicContact CB-CD1 4.39Å; L304-R310 HydrophobicContact CD2-CG 3.76Å; L304-F317 HydrophobicContact CB-CB 3.88Å; L304-F317 HydrophobicContact CB-CG 4.22Å; L304-F317 HydrophobicContact CD1-CD2 4.34Å; L304-H318 PolarHBondContact N-O 2.7Å; L304-F319 HydrophobicContact CB-CD2 4.05Å; L304-F319 HydrophobicContact CD2-CD2 3.79Å; L304-F319 HydrophobicContact CD2-CE2 4.2Å; L304-F319 HydrophobicContact CG-CD2 4.09Å; L304-F319 HydrophobicContact CG-CE2 4.46Å; L304-S320 PolarHBondContact O-N 3.13Å
305L89.8Confident85.8Confident0 Ų044.8 Ų44.80%025%0.252CS..  trans-101.1-8.1-168-58.8175.6000114.8N289 V291 V303 L323 I325 L327 F367N289-L305 WeakPolarHBondContact O-CB 3.16Å; N289-L305 PolarHBondContact O-N 3.05Å; V291-L305 HydrophobicContact CG2-CD1 4.01Å; V303-L305 HydrophobicContact CG1-CD2 4.15Å; L305-L323 HydrophobicContact CD2-CD1 3.77Å; L305-L323 CarbonylContact O-C 3.5Å; L305-I325 HydrophobicContact CB-CG1 4.13Å; L305-I325 HydrophobicContact CD1-CD1 4.31Å; L305-I325 HydrophobicContact CD1-CG1 4.18Å; L305-I325 PolarHBondContact O-N 2.82Å; L305-L327 HydrophobicContact CD1-CD1 3.33Å; L305-L327 HydrophobicContact CD1-CD2 4.21Å; L305-L327 HydrophobicContact CD1-CG 3.65Å; L305-F367 HydrophobicContact CD2-CD2 3.94Å; L305-F367 HydrophobicContact CD2-CE2 3.76Å; L305-F367 HydrophobicContact CD2-CZ 4.18Å
306N88.1Confident85.4Confident0 Ų047.7 Ų47.70%027%0.273CS..SBendtrans-159.4164.9-179.161.153.9000111.5N289 N308 G309 I325 I1066N289-N306 PolarHBondContact OD1-ND2 3.13Å; N289-N306 PolarHBondContact OD1-OD1 3.1Å; N306-N308 PolarHBondContact OD1-N 3.49Å; N306-G309 PolarHBondContact OD1-N 3.24Å; N306-I325 PolarHBondContact ND2-O 3.15Å; N306-I1066 HydrophobicContact CB-CD1 3.57Å; N306-I1066 HydrophobicContact CB-CG1 4.35Å
307E85.3Confident85.4Confident22 Ų2244.5 Ų44.510%0.10326%0.257CS..G310 helixtrans-75.9-24.3178.4-76.9179153.200113.5G309 R310 F319 P1062 H1064 F1065E307-G309 PolarHBondContact O-N 3.32Å; E307-R310 WeakPolarHBondContact O-CB 3.35Å; E307-R310 PolarHBondContact O-N 3.08Å; E307-F319 HydrophobicContact CG-CE2 4.12Å; E307-F319 HydrophobicContact CG-CZ 3.67Å; E307-P1062 HydrophobicContact CB-CG 4.37Å; E307-P1062 WeakPolarHBondContact OE2-CB 3.36Å; E307-P1062 WeakPolarHBondContact OE2-CG 3.47Å; E307-H1064 HydrophobicContact CG-CB 3.83Å; E307-H1064 IonicContact OE1-CD2 3.81Å; E307-H1064 WeakPolarHBondContact OE2-CA 3.25Å; E307-H1064 WeakPolarHBondContact OE2-CB 3.25Å; E307-H1064 PolarHBondContact OE2-N 2.92Å; E307-F1065 PolarHBondContact OE2-N 2.84Å
308N85.2Confident85.4Confident62 Ų6243.2 Ų43.233%0.33224%0.24SC..G310 helixtrans-60-28178.4-63.353.9000112.5N306 T312 I1066N306-N308 PolarHBondContact OD1-N 3.49Å; N308-T312 WeakPolarHBondContact O-CG2 3.42Å; N308-I1066 PolarHBondContact ND2-O 2.98Å; N308-I1066 PolarHBondContact OD1-N 3.46Å
309G84.2Confident85Confident3 Ų344.5 Ų44.53%0.03125%0.245CC..G310 helixtrans-78.9-9.7174.800000114.9N306 E307 G311 T312N306-G309 PolarHBondContact OD1-N 3.24Å; E307-G309 PolarHBondContact O-N 3.32Å; G309-G311 PolarHBondContact O-N 3.44Å; G309-T312 WeakPolarHBondContact O-CB 3.21Å; G309-T312 PolarHBondContact O-N 2.89Å; G309-T312 PolarHBondContact O-OG1 2.79Å
310R84Confident84.5Confident131 Ų13142.3 Ų42.349%0.49423%0.231SC..THydrogen-bonded Turntrans-63.6134.3-179.7-74.1-172.5175.8-164.12.5111.2L304 E307 T312 F319L304-R310 HydrophobicContact CD2-CG 3.76Å; E307-R310 WeakPolarHBondContact O-CB 3.35Å; E307-R310 PolarHBondContact O-N 3.08Å; R310-T312 PolarHBondContact O-N 2.9Å; R310-F319 VanDerWaalsContact NH2-CD1 3.25Å; R310-F319 VanDerWaalsContact NH2-CE1 3.26Å
311G83.5Confident83.3Confident54 Ų5442.7 Ų42.756%0.55723%0.233SC*.THydrogen-bonded Turntrans73.2-2.3-179.400000114.8K240 G309K240-G311 WeakPolarHBondContact CD-O 3.37Å; K240-G311 WeakPolarHBondContact CE-O 3.34Å; K240-G311 PolarHBondContact NZ-O 2.82Å; G309-G311 PolarHBondContact O-N 3.44Å
312T86.7Confident82.5Confident25 Ų2549.6 Ų49.615%0.15326%0.264CS..SBendtrans-84.8-14.3179.770.40000114.1V236 K240 N308 G309 R310V236-T312 HydrophobicContact CG1-CG2 4.4Å; V236-T312 WeakPolarHBondContact CG1-O 3.27Å; K240-T312 WeakPolarHBondContact CB-O 3.35Å; K240-T312 WeakPolarHBondContact CG-O 3.48Å; N308-T312 WeakPolarHBondContact O-CG2 3.42Å; G309-T312 WeakPolarHBondContact O-CB 3.21Å; G309-T312 PolarHBondContact O-N 2.89Å; G309-T312 PolarHBondContact O-OG1 2.79Å; R310-T312 PolarHBondContact O-N 2.9Å
313S88.3Confident81.8Confident18 Ų1850.1 Ų50.113%0.12627%0.267CS..  trans-140.7146.9-177.7162.40000109.6D241 Y315 F317D241-S313 VanDerWaalsContact OD1-CA 3.26Å; D241-S313 WeakPolarHBondContact OD1-CA 3.3Å; D241-S313 VanDerWaalsContact OD1-CB 3.28Å; D241-S313 WeakPolarHBondContact OD1-CB 3.14Å; D241-S313 PolarHBondContact OD1-OG 2.85Å; S313-Y315 WeakPolarHBondContact OG-CB 3.26Å; S313-Y315 PolarHBondContact OG-N 2.98Å; S313-F317 VanDerWaalsContact OG-CE2 3.32Å; S313-F317 WeakPolarHBondContact OG-CE2 3.39Å
314E84.8Confident81.4Confident157 Ų15754.3 Ų54.373%0.73429%0.287SS*.  trans-93.4-7.4170.7-58.7-178.7171.300111.7K240 D241K240-E314 HydrophobicContact CD-CG 3.98Å; D241-E314 WeakPolarHBondContact OD2-CA 3.08Å; D241-E314 WeakPolarHBondContact OD2-CB 3.4Å; D241-E314 PolarHBondContact OD2-N 3.12Å
315Y86.1Confident81.4Confident27 Ų2754.4 Ų54.411%0.10629%0.287CS..SBendtrans-55.5135.7174.1-160.3-89.8000112.6D241 L266 I292 L294 P300 S313 F317D241-Y315 PolarHBondContact OD2-N 3.12Å; L266-Y315 HydrophobicContact CD2-CD2 4.42Å; L266-Y315 HydrophobicContact CD2-CE2 3.84Å; I292-Y315 HydrophobicContact CD1-CD1 4.09Å; I292-Y315 HydrophobicContact CD1-CE1 3.9Å; I292-Y315 HydrophobicContact CD1-CE2 4.45Å; I292-Y315 HydrophobicContact CD1-CG 4.43Å; I292-Y315 HydrophobicContact CG1-CE1 4.07Å; I292-Y315 HydrophobicContact CG2-CE1 3.89Å; I292-Y315 WeakPolarHBondContact CG2-OH 3.27Å; L294-Y315 WeakPolarHBondContact CD2-OH 3.44Å; P300-Y315 WeakPolarHBondContact CB-OH 3.48Å; S313-Y315 WeakPolarHBondContact OG-CB 3.26Å; S313-Y315 PolarHBondContact OG-N 2.98Å; Y315-F317 HydrophobicContact CD1-CD1 4.01Å; Y315-F317 AromaticContact CD1-CE1 3.65Å; Y315-F317 HydrophobicContact CD1-CE1 3.65Å; Y315-F317 HydrophobicContact CD1-CE2 4.34Å; Y315-F317 HydrophobicContact CD1-CG 4.48Å; Y315-F317 AromaticContact CD1-CZ 3.84Å; Y315-F317 HydrophobicContact CD1-CZ 3.84Å; Y315-F317 HydrophobicContact CE1-CE1 4.29Å; Y315-F317 HydrophobicContact CG-CE1 4.46Å; Y315-F317 HydrophobicContact CG-CZ 4.21Å; Y315-F317 VanDerWaalsContact O-CD2 3.23Å; Y315-F317 WeakPolarHBondContact O-CD2 3.34Å; Y315-F317 PolarHBondContact O-N 2.71Å; Y315-F317 VanDerWaalsContact O-N 3.08Å
316P82.6Confident81.5Confident98 Ų9856 Ų5664%0.63630%0.297SS*.  trans-74.4101.3-176.529.9-34.8000111.2
317F83.7Confident81.8Confident45 Ų4556 Ų5620%0.19730%0.297CS..PPolyproline II helixtrans-102.4143.9177.6-65.5-67.1000113.2P267 S290 I292 G302 L304 S313 Y315P267-F317 HydrophobicContact CG-CE2 4.31Å; P267-F317 HydrophobicContact CG-CZ 3.63Å; S290-F317 VanDerWaalsContact CB-CE1 3.42Å; S290-F317 WeakPolarHBondContact OG-CE1 3.38Å; S290-F317 VanDerWaalsContact OG-CZ 3.3Å; S290-F317 WeakPolarHBondContact OG-CZ 3.21Å; I292-F317 HydrophobicContact CD1-CE1 3.94Å; I292-F317 HydrophobicContact CD1-CZ 4.17Å; I292-F317 HydrophobicContact CG1-CE1 3.76Å; I292-F317 HydrophobicContact CG1-CZ 4.46Å; G302-F317 WeakPolarHBondContact O-CA 3.47Å; L304-F317 HydrophobicContact CB-CB 3.88Å; L304-F317 HydrophobicContact CB-CG 4.22Å; L304-F317 HydrophobicContact CD1-CD2 4.34Å; S313-F317 VanDerWaalsContact OG-CE2 3.32Å; S313-F317 WeakPolarHBondContact OG-CE2 3.39Å; Y315-F317 HydrophobicContact CD1-CD1 4.01Å; Y315-F317 AromaticContact CD1-CE1 3.65Å; Y315-F317 HydrophobicContact CD1-CE1 3.65Å; Y315-F317 HydrophobicContact CD1-CE2 4.34Å; Y315-F317 HydrophobicContact CD1-CG 4.48Å; Y315-F317 AromaticContact CD1-CZ 3.84Å; Y315-F317 HydrophobicContact CD1-CZ 3.84Å; Y315-F317 HydrophobicContact CE1-CE1 4.29Å; Y315-F317 HydrophobicContact CG-CE1 4.46Å; Y315-F317 HydrophobicContact CG-CZ 4.21Å; Y315-F317 VanDerWaalsContact O-CD2 3.23Å; Y315-F317 WeakPolarHBondContact O-CD2 3.34Å; Y315-F317 PolarHBondContact O-N 2.71Å; Y315-F317 VanDerWaalsContact O-N 3.08Å
318H81Confident82.1Confident71 Ų7156.4 Ų56.433%0.32930%0.3SS..EExtended strand (participates in β ladder)trans-82.3123.8158.7-66.8-60.9000109.5G302 V303 L304G302-H318 PolarHBondContact O-N 3.17Å; V303-H318 CarbonylContact C-O 3.14Å; V303-H318 VanDerWaalsContact CA-O 3.32Å; V303-H318 WeakPolarHBondContact CA-O 3.01Å; L304-H318 PolarHBondContact N-O 2.7Å
319F74.5Confident82.4Confident39 Ų3956.1 Ų56.117%0.17131%0.312CS..EExtended strand (participates in β ladder)trans-82.5119.4178.1-173.9-107000110.5L304 E307 R310 T321L304-F319 HydrophobicContact CB-CD2 4.05Å; L304-F319 HydrophobicContact CD2-CD2 3.79Å; L304-F319 HydrophobicContact CD2-CE2 4.2Å; L304-F319 HydrophobicContact CG-CD2 4.09Å; L304-F319 HydrophobicContact CG-CE2 4.46Å; E307-F319 HydrophobicContact CG-CE2 4.12Å; E307-F319 HydrophobicContact CG-CZ 3.67Å; R310-F319 VanDerWaalsContact NH2-CD1 3.25Å; R310-F319 VanDerWaalsContact NH2-CE1 3.26Å; F319-T321 HydrophobicContact CD1-CG2 3.76Å; F319-T321 HydrophobicContact CE1-CG2 3.71Å
320S70.5Confident82.9Confident35 Ų3556.6 Ų56.625%0.24531%0.314CS..  trans-90.5110.3171.5-172.40000109.8L304 E322 L323L304-S320 PolarHBondContact O-N 3.13Å; S320-E322 VanDerWaalsContact C-N 3.29Å; S320-E322 PolarHBondContact O-N 3.49Å; S320-L323 WeakPolarHBondContact OG-CD1 3.27Å
321T59.3Low83.4Confident84 Ų8451.2 Ų51.252%0.51530%0.297SS..THydrogen-bonded Turntrans-70.6-22.4179450000113.5F319 H1064F319-T321 HydrophobicContact CD1-CG2 3.76Å; F319-T321 HydrophobicContact CE1-CG2 3.71Å; T321-H1064 PolarHBondContact O-CE1 2.81Å; T321-H1064 PolarHBondContact O-ND1 2.88Å
322E67Low84Confident152 Ų15248.7 Ų48.771%0.7127%0.271SS*.THydrogen-bonded Turntrans-81.6-13.2-175.5-64.5-171.1173.900113.4S320 K407S320-E322 VanDerWaalsContact C-N 3.29Å; S320-E322 PolarHBondContact O-N 3.49Å; E322-K407 IonicContact OE2-NZ 3.86Å
323L73.7Confident84.4Confident13 Ų1349.4 Ų49.47%0.06827%0.274CS..  trans-106.7133.5-174.6-63.1161.8000110.6L305 S320 F350 F367L305-L323 HydrophobicContact CD2-CD1 3.77Å; L305-L323 CarbonylContact O-C 3.5Å; S320-L323 WeakPolarHBondContact OG-CD1 3.27Å; L323-F350 HydrophobicContact CD2-CD1 4.36Å; L323-F350 HydrophobicContact CD2-CE1 4.23Å; L323-F367 HydrophobicContact CD1-CB 3.56Å; L323-F367 HydrophobicContact CD1-CD2 3.94Å; L323-F367 HydrophobicContact CD1-CG 3.92Å; L323-F367 HydrophobicContact CD2-CB 3.69Å; L323-F367 HydrophobicContact CD2-CG 4.5Å; L323-F367 HydrophobicContact CG-CB 4.25Å
324M81.4Confident84.7Confident91 Ų9149.3 Ų49.345%0.44827%0.271SS..  trans-132.469.5170.9-66.8-155.2-14600109.4P1063 H1064M324-P1063 VanDerWaalsContact CE-O 3.26Å; M324-P1063 WeakPolarHBondContact CE-O 3.4Å; M324-H1064 HydrophobicContact CE-CB 3.68Å; M324-H1064 VanDerWaalsContact CE-CG 3.48Å; M324-H1064 WeakPolarHBondContact CE-ND1 3.3Å; M324-H1064 HydrophobicContact CG-CB 3.92Å; M324-H1064 WeakPolarHBondContact SD-CA 3.38Å; M324-H1064 HydrophobicContact SD-CB 3.72Å
325I89.5Confident85.1Confident15 Ų1541.9 Ų41.98%0.07724%0.237CC..  trans-130.8151.5-175.864.3174.4000111.1L305 N306 L327 L344 F350 F367L305-I325 HydrophobicContact CB-CG1 4.13Å; L305-I325 HydrophobicContact CD1-CD1 4.31Å; L305-I325 HydrophobicContact CD1-CG1 4.18Å; L305-I325 PolarHBondContact O-N 2.82Å; N306-I325 PolarHBondContact ND2-O 3.15Å; I325-L327 HydrophobicContact CD1-CD2 4.48Å; I325-L344 HydrophobicContact CB-CD1 3.82Å; I325-L344 HydrophobicContact CD1-CD2 4.44Å; I325-L344 HydrophobicContact CG2-CD1 3.75Å; I325-F350 HydrophobicContact CD1-CD1 4.36Å; I325-F350 HydrophobicContact CD1-CD2 4.47Å; I325-F350 HydrophobicContact CD1-CE1 4.4Å; I325-F350 HydrophobicContact CD1-CG 4.41Å; I325-F350 HydrophobicContact CG2-CE1 4.1Å; I325-F350 HydrophobicContact CG2-CE2 4Å; I325-F350 HydrophobicContact CG2-CZ 3.55Å; I325-F367 HydrophobicContact CD1-CD1 4.4Å
326T91.9Very high85.3Confident33 Ų3342.3 Ų42.320%0.20224%0.242CC..  trans-113.4145.6168.358.20000108.4D328 I1066T326-D328 WeakPolarHBondContact CB-OD1 3.47Å; T326-D328 PolarHBondContact OG1-OD1 3.32Å; T326-I1066 HydrophobicContact CG2-CD1 3.74Å
327L94.1Very high85.7Confident0 Ų040.2 Ų40.20%023%0.228CC..  trans-101.311.8-177.4-64.3175.1000112.9L271 F286 A287 M288 V291 L305 I325 G329 S330 V342 L344L271-L327 VanDerWaalsContact CD1-O 3.23Å; L271-L327 WeakPolarHBondContact CD1-O 3.47Å; F286-L327 HydrophobicContact CD1-CD1 3.89Å; A287-L327 WeakPolarHBondContact O-CB 3.26Å; A287-L327 WeakPolarHBondContact O-CD1 3.45Å; M288-L327 PolarHBondContact O-N 2.75Å; V291-L327 HydrophobicContact CG2-CD1 3.4Å; V291-L327 VanDerWaalsContact CG2-CD1 3.4Å; L305-L327 HydrophobicContact CD1-CD1 3.33Å; L305-L327 HydrophobicContact CD1-CD2 4.21Å; L305-L327 HydrophobicContact CD1-CG 3.65Å; I325-L327 HydrophobicContact CD1-CD2 4.48Å; L327-G329 PolarHBondContact O-N 2.74Å; L327-S330 VanDerWaalsContact O-CB 3.24Å; L327-S330 WeakPolarHBondContact O-CB 3.49Å; L327-S330 PolarHBondContact O-N 2.98Å; L327-S330 PolarHBondContact O-OG 3.39Å; L327-V342 HydrophobicContact CD2-CG1 3.81Å; L327-L344 HydrophobicContact CD2-CD2 3.7Å
328D91.8Very high86Confident31 Ų3140.9 Ų40.917%0.16623%0.234CC..THydrogen-bonded Turntrans-63.5123.4175.364.4-59.7000110.9M288 T326 S330 R345M288-D328 HydrophobicContact CE-CB 4.24Å; M288-D328 HydrophobicContact CG-CB 4.22Å; M288-D328 HydrophobicContact SD-CB 4.43Å; T326-D328 WeakPolarHBondContact CB-OD1 3.47Å; T326-D328 PolarHBondContact OG1-OD1 3.32Å; D328-S330 PolarHBondContact O-N 3.06Å; D328-R345 WeakPolarHBondContact O-CB 3.34Å; D328-R345 WeakPolarHBondContact O-CD 3.48Å; D328-R345 WeakPolarHBondContact O-CG 3.41Å; D328-R345 WeakPolarHBondContact OD2-CD 3.33Å; D328-R345 IonicContact OD2-CZ 2.98Å; D328-R345 IonicContact OD2-NE 3.71Å; D328-R345 IonicContact OD2-NH1 2.71Å; D328-R345 PolarHBondContact OD2-NH1 2.79Å
329G91.8Very high86.6Confident56 Ų5637.5 Ų37.558%0.57722%0.218SC*.THydrogen-bonded Turntrans64.321.2-17400000114.1L327L327-G329 PolarHBondContact O-N 2.74Å
330S95.2Very high87.5Confident13 Ų1335.8 Ų35.89%0.09121%0.211CC..  trans-75.2157.9170.566.30000111.7Y272 L327 D328 A343Y272-S330 WeakPolarHBondContact CE1-O 3.26Å; Y272-S330 PolarHBondContact OH-OG 3.12Å; L327-S330 VanDerWaalsContact O-CB 3.24Å; L327-S330 WeakPolarHBondContact O-CB 3.49Å; L327-S330 PolarHBondContact O-N 2.98Å; L327-S330 PolarHBondContact O-OG 3.39Å; D328-S330 PolarHBondContact O-N 3.06Å; S330-A343 CarbonylContact C-O 3.53Å; S330-A343 WeakPolarHBondContact CA-O 3.46Å; S330-A343 WeakPolarHBondContact CB-O 3.33Å
331S94.9Very high88.7Confident18 Ų1834.1 Ų34.113%0.12620%0.199CC..EExtended strand (participates in β ladder)trans-130.6139.4170.2175.20000108.5A343 L379S331-A343 PolarHBondContact N-O 2.92Å; S331-A343 PolarHBondContact O-N 2.84Å; S331-L379 WeakPolarHBondContact O-CD1 3.21Å; S331-L379 PolarHBondContact OG-N 3.15Å
332A95.7Very high90.4Very high1 Ų130.1 Ų30.11%0.00818%0.175CC..EExtended strand (participates in β ladder)trans-132.1145.7-179.600000112.5Y272 K274 F286 V341 V342Y272-A332 HydrophobicContact CE2-CB 4.31Å; Y272-A332 PolarHBondContact OH-N 3.02Å; K274-A332 WeakPolarHBondContact CE-O 3.32Å; K274-A332 PolarHBondContact NZ-O 3.46Å; F286-A332 HydrophobicContact CE1-CB 3.84Å; F286-A332 HydrophobicContact CE2-CB 3.93Å; F286-A332 HydrophobicContact CZ-CB 3.46Å; F286-A332 VanDerWaalsContact CZ-CB 3.46Å; A332-V341 WeakPolarHBondContact CA-O 3.3Å; A332-V342 HydrophobicContact CB-CG2 4.07Å
333D95.2Very high91.8Very high40 Ų4022.9 Ų22.921%0.21414%0.141CC..EExtended strand (participates in β ladder)trans-148149.4171.8-160.815.2000111.9L340 V341 L379 C380 K381D333-L340 CarbonylContact O-C 3.6Å; D333-L340 WeakPolarHBondContact O-CA 3.49Å; D333-V341 PolarHBondContact N-O 2.85Å; D333-V341 PolarHBondContact O-N 2.83Å; D333-L379 HydrophobicContact CB-CB 3.88Å; D333-C380 WeakPolarHBondContact OD2-CA 3.49Å; D333-K381 PolarHBondContact OD2-N 2.8Å
334F94.9Very high92.8Very high16 Ų1622.8 Ų22.87%0.0714%0.14CC..EExtended strand (participates in β ladder)trans-79.5126.5-179.2-79.4-85.1000110.9K274 P275 V276 P277 V284 T336 L340 L354 K381K274-F334 HydrophobicContact CB-CE2 3.89Å; P275-F334 VanDerWaalsContact O-CE2 3.3Å; P275-F334 WeakPolarHBondContact O-CE2 3.48Å; V276-F334 HydrophobicContact CB-CZ 4.21Å; V276-F334 HydrophobicContact CG1-CE1 4.42Å; V276-F334 HydrophobicContact CG1-CZ 4.4Å; V276-F334 HydrophobicContact CG2-CE1 4.46Å; V276-F334 HydrophobicContact CG2-CZ 3.76Å; P277-F334 HydrophobicContact CG-CB 4.22Å; P277-F334 HydrophobicContact CG-CD2 4.35Å; P277-F334 HydrophobicContact CG-CG 4.16Å; V284-F334 HydrophobicContact CG2-CZ 4.13Å; F334-T336 WeakPolarHBondContact CD1-O 3.45Å; F334-L340 HydrophobicContact CD1-CB 3.91Å; F334-L340 HydrophobicContact CD1-CD2 4.29Å; F334-L340 HydrophobicContact CD1-CG 4.5Å; F334-L340 HydrophobicContact CE1-CB 4.12Å; F334-L340 HydrophobicContact CE1-CD2 3.63Å; F334-L340 HydrophobicContact CE1-CG 4.23Å; F334-L340 HydrophobicContact CE2-CD2 4.25Å; F334-L340 HydrophobicContact CG-CB 4.24Å; F334-L340 HydrophobicContact CZ-CD2 3.59Å; F334-L354 HydrophobicContact CE1-CD1 4.01Å; F334-K381 WeakPolarHBondContact O-CD 3.4Å
335I92.8Very high93.3Very high2 Ų224.5 Ų24.51%0.0114%0.142CC..EExtended strand (participates in β ladder)trans-93.7-32.8171.153.1167000111.8S339 V341 K381 Y401 Y452I335-S339 VanDerWaalsContact CG1-O 3.31Å; I335-S339 WeakPolarHBondContact CG1-O 3.22Å; I335-S339 PolarHBondContact N-O 2.86Å; I335-V341 HydrophobicContact CB-CG2 4.47Å; I335-V341 HydrophobicContact CD1-CG2 3.84Å; I335-V341 HydrophobicContact CG1-CG2 4.09Å; I335-V341 HydrophobicContact CG2-CG2 3.6Å; I335-K381 VanDerWaalsContact O-CE 3.29Å; I335-K381 WeakPolarHBondContact O-CE 3.4Å; I335-K381 PolarHBondContact O-NZ 3.2Å; I335-Y401 HydrophobicContact CB-CE2 4.3Å; I335-Y401 HydrophobicContact CD1-CD2 4.45Å; I335-Y401 HydrophobicContact CD1-CE2 4.34Å; I335-Y401 HydrophobicContact CG2-CE1 4.11Å; I335-Y452 HydrophobicContact CD1-CD1 4.37Å; I335-Y452 HydrophobicContact CD1-CD2 3.86Å; I335-Y452 HydrophobicContact CD1-CE1 4.18Å; I335-Y452 HydrophobicContact CD1-CE2 3.64Å; I335-Y452 HydrophobicContact CD1-CG 4.21Å
336T90.7Very high93.3Very high36 Ų3626.1 Ų26.122%0.22115%0.154CC..EExtended strand (participates in β ladder)trans-132.5164.7171.263.90000108.5F334 N338 S339F334-T336 WeakPolarHBondContact CD1-O 3.45Å; T336-N338 PolarHBondContact O-N 3.26Å; T336-N338 PolarHBondContact OG1-OD1 2.89Å; T336-S339 PolarHBondContact N-O 3.36Å; T336-S339 VanDerWaalsContact N-O 3.1Å; T336-S339 PolarHBondContact O-N 2.81Å; T336-S339 WeakPolarHBondContact OG1-CA 3.49Å; T336-S339 WeakPolarHBondContact OG1-CB 3.31Å; T336-S339 PolarHBondContact OG1-N 3.1Å; T336-S339 PolarHBondContact OG1-OG 3.43Å
337P89.3Confident93.3Very high54 Ų5424.5 Ų24.535%0.35115%0.145SC..THydrogen-bonded Turntrans-58.2-18.8178.1-26.135.7000114.7
338N91Very high93.3Very high58 Ų5826.4 Ų26.431%0.3116%0.155SC..THydrogen-bonded Turntrans-117.6-1.5179.868.6-15.4000114.4T336 S353 L354 V356T336-N338 PolarHBondContact O-N 3.26Å; T336-N338 PolarHBondContact OG1-OD1 2.89Å; N338-S353 CarbonylContact O-C 3.46Å; N338-S353 WeakPolarHBondContact O-CA 3.28Å; N338-L354 HydrophobicContact CB-CB 4.45Å; N338-L354 WeakPolarHBondContact O-CB 3.28Å; N338-L354 PolarHBondContact O-N 2.74Å; N338-V356 HydrophobicContact CB-CG2 3.86Å
339S92.6Very high93.4Very high1 Ų125 Ų251%0.00715%0.147CC..EExtended strand (participates in β ladder)trans-135.9136.1-179.2-570000111.2I335 T336 A352 S353I335-S339 VanDerWaalsContact CG1-O 3.31Å; I335-S339 WeakPolarHBondContact CG1-O 3.22Å; I335-S339 PolarHBondContact N-O 2.86Å; T336-S339 PolarHBondContact N-O 3.36Å; T336-S339 VanDerWaalsContact N-O 3.1Å; T336-S339 PolarHBondContact O-N 2.81Å; T336-S339 WeakPolarHBondContact OG1-CA 3.49Å; T336-S339 WeakPolarHBondContact OG1-CB 3.31Å; T336-S339 PolarHBondContact OG1-N 3.1Å; T336-S339 PolarHBondContact OG1-OG 3.43Å; S339-A352 WeakPolarHBondContact CA-O 3.49Å; S339-S353 PolarHBondContact OG-OG 2.79Å
340L94.5Very high93.4Very high2 Ų222.7 Ų22.71%0.0112%0.121CC..EExtended strand (participates in β ladder)trans-126.2146-1774780000110.3V284 F286 D333 F334 V342 T351 A352V284-L340 HydrophobicContact CB-CD2 4.4Å; V284-L340 HydrophobicContact CG1-CD2 4.28Å; V284-L340 HydrophobicContact CG2-CD2 4.13Å; F286-L340 HydrophobicContact CZ-CD1 4.17Å; F286-L340 HydrophobicContact CZ-CD2 4.26Å; D333-L340 CarbonylContact O-C 3.6Å; D333-L340 WeakPolarHBondContact O-CA 3.49Å; F334-L340 HydrophobicContact CD1-CB 3.91Å; F334-L340 HydrophobicContact CD1-CD2 4.29Å; F334-L340 HydrophobicContact CD1-CG 4.5Å; F334-L340 HydrophobicContact CE1-CB 4.12Å; F334-L340 HydrophobicContact CE1-CD2 3.63Å; F334-L340 HydrophobicContact CE1-CG 4.23Å; F334-L340 HydrophobicContact CE2-CD2 4.25Å; F334-L340 HydrophobicContact CG-CB 4.24Å; F334-L340 HydrophobicContact CZ-CD2 3.59Å; L340-V342 HydrophobicContact CD1-CG2 3.6Å; L340-T351 CarbonylContact O-C 3.58Å; L340-T351 WeakPolarHBondContact O-CA 3.22Å; L340-A352 HydrophobicContact CD1-CB 3.2Å; L340-A352 WeakPolarHBondContact CD1-O 3.46Å; L340-A352 HydrophobicContact CG-CB 4.25Å; L340-A352 VanDerWaalsContact CG-O 3.3Å; L340-A352 WeakPolarHBondContact CG-O 3.45Å; L340-A352 PolarHBondContact N-O 2.74Å; L340-A352 PolarHBondContact O-N 3.41Å
341V95.3Very high93.3Very high0 Ų022.2 Ų22.20%012%0.118CC..EExtended strand (participates in β ladder)trans-100.5130.6174.4179.40000107.6A332 D333 I335 L349 F350 T351 L379 L387 F454A332-V341 WeakPolarHBondContact CA-O 3.3Å; D333-V341 PolarHBondContact N-O 2.85Å; D333-V341 PolarHBondContact O-N 2.83Å; I335-V341 HydrophobicContact CB-CG2 4.47Å; I335-V341 HydrophobicContact CD1-CG2 3.84Å; I335-V341 HydrophobicContact CG1-CG2 4.09Å; I335-V341 HydrophobicContact CG2-CG2 3.6Å; V341-L349 HydrophobicContact CG1-CD2 4.4Å; V341-F350 CarbonylContact C-O 3.56Å; V341-F350 WeakPolarHBondContact CA-O 3.4Å; V341-T351 HydrophobicContact CG2-CG2 4.32Å; V341-L379 HydrophobicContact CG1-CD1 4.49Å; V341-L379 WeakPolarHBondContact O-CD1 3.43Å; V341-L387 HydrophobicContact CB-CD2 4.03Å; V341-L387 HydrophobicContact CG1-CD2 3.75Å; V341-L387 HydrophobicContact CG2-CD2 4.19Å; V341-F454 HydrophobicContact CG1-CE1 4.19Å; V341-F454 HydrophobicContact CG1-CZ 4.05Å; V341-F454 HydrophobicContact CG2-CE1 3.98Å; V341-F454 HydrophobicContact CG2-CZ 3.78Å
342V95.4Very high93.2Very high0 Ų021.3 Ų21.30%011%0.112CC..EExtended strand (participates in β ladder)trans-117.6119-180-174.70000107.8F286 L327 A332 L340 L344 L349 F350 A352 F367F286-V342 HydrophobicContact CE1-CG1 4.35Å; F286-V342 HydrophobicContact CE1-CG2 3.79Å; F286-V342 HydrophobicContact CZ-CG2 4.24Å; L327-V342 HydrophobicContact CD2-CG1 3.81Å; A332-V342 HydrophobicContact CB-CG2 4.07Å; L340-V342 HydrophobicContact CD1-CG2 3.6Å; V342-L344 HydrophobicContact CG1-CD2 4.25Å; V342-L349 CarbonylContact O-C 3.59Å; V342-L349 WeakPolarHBondContact O-CA 3.22Å; V342-F350 HydrophobicContact CB-CB 4.46Å; V342-F350 PolarHBondContact N-O 2.82Å; V342-F350 PolarHBondContact O-N 2.7Å; V342-A352 HydrophobicContact CG2-CB 4.41Å; V342-F367 HydrophobicContact CG2-CE1 4.11Å
343A95.5Very high93Very high0 Ų021.5 Ų21.50%011%0.113CC..EExtended strand (participates in β ladder)trans-104.4124.6174.500000109S330 S331 D348 L349 P376 L379S330-A343 CarbonylContact C-O 3.53Å; S330-A343 WeakPolarHBondContact CA-O 3.46Å; S330-A343 WeakPolarHBondContact CB-O 3.33Å; S331-A343 PolarHBondContact N-O 2.92Å; S331-A343 PolarHBondContact O-N 2.84Å; A343-D348 WeakPolarHBondContact CA-O 2.88Å; A343-L349 HydrophobicContact CB-CD2 3.52Å; A343-P376 HydrophobicContact CB-CB 3.81Å; A343-P376 HydrophobicContact CB-CG 3.57Å; A343-L379 HydrophobicContact CB-CD1 3.9Å; A343-L379 HydrophobicContact CB-CD2 4.14Å; A343-L379 HydrophobicContact CB-CG 4.31Å
344L94.7Very high92.8Very high11 Ų1119.7 Ų19.76%0.05810%0.103CC..  trans-82.5166.9-179.7-55.8-172.4000111.8I325 L327 V342 S346 G347 D348 F350 P376I325-L344 HydrophobicContact CB-CD1 3.82Å; I325-L344 HydrophobicContact CD1-CD2 4.44Å; I325-L344 HydrophobicContact CG2-CD1 3.75Å; L327-L344 HydrophobicContact CD2-CD2 3.7Å; V342-L344 HydrophobicContact CG1-CD2 4.25Å; L344-S346 PolarHBondContact O-N 2.95Å; L344-S346 VanDerWaalsContact O-N 3.15Å; L344-G347 VanDerWaalsContact O-CA 3.32Å; L344-G347 WeakPolarHBondContact O-CA 3.25Å; L344-G347 PolarHBondContact O-N 2.8Å; L344-D348 PolarHBondContact N-O 2.84Å; L344-F350 HydrophobicContact CD1-CD2 3.97Å; L344-F350 HydrophobicContact CD1-CE2 3.44Å; L344-F350 VanDerWaalsContact CD1-CE2 3.44Å; L344-F350 HydrophobicContact CD1-CZ 4.31Å; L344-F350 HydrophobicContact CG-CD2 3.98Å; L344-F350 HydrophobicContact CG-CE2 3.94Å; L344-P376 WeakPolarHBondContact O-CD 3.37Å
345R92.2Very high92.5Very high127 Ų12719.1 Ų19.148%0.47910%0.101SC..THydrogen-bonded Turntrans-61.8-19.2172.768176.9-61.7-177.65.6114.7D328 I375D328-R345 WeakPolarHBondContact O-CB 3.34Å; D328-R345 WeakPolarHBondContact O-CD 3.48Å; D328-R345 WeakPolarHBondContact O-CG 3.41Å; D328-R345 WeakPolarHBondContact OD2-CD 3.33Å; D328-R345 IonicContact OD2-CZ 2.98Å; D328-R345 IonicContact OD2-NE 3.71Å; D328-R345 IonicContact OD2-NH1 2.71Å; D328-R345 PolarHBondContact OD2-NH1 2.79Å; R345-I375 WeakPolarHBondContact O-CG2 3.49Å
346S90.1Very high92.3Very high49 Ų4920.5 Ų20.534%0.34311%0.109SC..THydrogen-bonded Turntrans-74.8-14.9169.861.80000112.3L344 D348 K499L344-S346 PolarHBondContact O-N 2.95Å; L344-S346 VanDerWaalsContact O-N 3.15Å; S346-D348 VanDerWaalsContact OG-CG 3.25Å; S346-D348 PolarHBondContact OG-N 3.42Å; S346-D348 PolarHBondContact OG-OD2 3.47Å; S346-K499 WeakPolarHBondContact O-CD 3.43Å; S346-K499 WeakPolarHBondContact O-CE 3.45Å; S346-K499 PolarHBondContact O-NZ 2.77Å
347G91.5Very high91.9Very high0 Ų021.1 Ų21.10%011%0.111CC..  trans80.712.7-170.900000114.3L344 S373 V374 K499L344-G347 VanDerWaalsContact O-CA 3.32Å; L344-G347 WeakPolarHBondContact O-CA 3.25Å; L344-G347 PolarHBondContact O-N 2.8Å; G347-S373 CarbonylContact O-C 3.5Å; G347-S373 PolarHBondContact O-N 3.41Å; G347-S373 PolarHBondContact O-OG 2.92Å; G347-V374 WeakPolarHBondContact CA-O 3.39Å; G347-K499 VanDerWaalsContact CA-NZ 3.32Å; G347-K499 PolarHBondContact O-NZ 3.21Å
348D93.3Very high91.4Very high39 Ų3923.7 Ų23.721%0.20913%0.131CC..EExtended strand (participates in β ladder)trans-76139.6171.4-60.7-40.8000110.7A343 L344 S346 F350 S372A343-D348 WeakPolarHBondContact CA-O 2.88Å; L344-D348 PolarHBondContact N-O 2.84Å; S346-D348 VanDerWaalsContact OG-CG 3.25Å; S346-D348 PolarHBondContact OG-N 3.42Å; S346-D348 PolarHBondContact OG-OD2 3.47Å; D348-F350 HydrophobicContact CB-CE2 3.97Å; D348-S372 VanDerWaalsContact OD1-CB 3.23Å; D348-S372 WeakPolarHBondContact OD1-CB 3.3Å; D348-S372 PolarHBondContact OD1-OG 3.37Å
349L94.2Very high91Very high1 Ų127.3 Ų27.31%0.00515%0.149CC..EExtended strand (participates in β ladder)trans-101.1140.6179.6-56174.9000111V341 V342 A343 G370 N371 S373 L399 F454V341-L349 HydrophobicContact CG1-CD2 4.4Å; V342-L349 CarbonylContact O-C 3.59Å; V342-L349 WeakPolarHBondContact O-CA 3.22Å; A343-L349 HydrophobicContact CB-CD2 3.52Å; L349-G370 CarbonylContact O-C 3.32Å; L349-G370 WeakPolarHBondContact O-CA 3.42Å; L349-G370 PolarHBondContact O-N 2.97Å; L349-N371 WeakPolarHBondContact CB-O 3.42Å; L349-N371 WeakPolarHBondContact CG-O 3.38Å; L349-N371 PolarHBondContact N-O 3.49Å; L349-S373 WeakPolarHBondContact CD2-OG 3.36Å; L349-L399 HydrophobicContact CD1-CD1 3.55Å; L349-F454 HydrophobicContact CD1-CB 4.05Å; L349-F454 HydrophobicContact CD1-CD1 4.07Å; L349-F454 HydrophobicContact CD1-CD2 4.09Å; L349-F454 HydrophobicContact CD1-CG 3.8Å
350F93.1Very high90.5Very high9 Ų930.7 Ų30.74%0.03917%0.167CC..EExtended strand (participates in β ladder)trans-130.5144.3172.1-68.5-99.8000108.7L323 I325 V341 V342 L344 D348 F367 V368 R369L323-F350 HydrophobicContact CD2-CD1 4.36Å; L323-F350 HydrophobicContact CD2-CE1 4.23Å; I325-F350 HydrophobicContact CD1-CD1 4.36Å; I325-F350 HydrophobicContact CD1-CD2 4.47Å; I325-F350 HydrophobicContact CD1-CE1 4.4Å; I325-F350 HydrophobicContact CD1-CG 4.41Å; I325-F350 HydrophobicContact CG2-CE1 4.1Å; I325-F350 HydrophobicContact CG2-CE2 4Å; I325-F350 HydrophobicContact CG2-CZ 3.55Å; V341-F350 CarbonylContact C-O 3.56Å; V341-F350 WeakPolarHBondContact CA-O 3.4Å; V342-F350 HydrophobicContact CB-CB 4.46Å; V342-F350 PolarHBondContact N-O 2.82Å; V342-F350 PolarHBondContact O-N 2.7Å; L344-F350 HydrophobicContact CD1-CD2 3.97Å; L344-F350 HydrophobicContact CD1-CE2 3.44Å; L344-F350 VanDerWaalsContact CD1-CE2 3.44Å; L344-F350 HydrophobicContact CD1-CZ 4.31Å; L344-F350 HydrophobicContact CG-CD2 3.98Å; L344-F350 HydrophobicContact CG-CE2 3.94Å; D348-F350 HydrophobicContact CB-CE2 3.97Å; F350-F367 HydrophobicContact CB-CD1 4.14Å; F350-V368 CarbonylContact C-O 3.53Å; F350-V368 WeakPolarHBondContact CA-O 3.24Å; F350-R369 HydrophobicContact CD1-CB 4Å; F350-R369 HydrophobicContact CD1-CG 4.33Å; F350-R369 HydrophobicContact CE1-CB 3.65Å; F350-R369 HydrophobicContact CE1-CG 3.75Å; F350-R369 HydrophobicContact CZ-CB 4.37Å; F350-R369 HydrophobicContact CZ-CG 3.94Å
351T92.8Very high89.9Confident2 Ų233.4 Ų33.41%0.01218%0.18CC..EExtended strand (participates in β ladder)trans-101.7116168.550.30000107.5L340 V341 F367 V368 Y452 F454L340-T351 CarbonylContact O-C 3.58Å; L340-T351 WeakPolarHBondContact O-CA 3.22Å; V341-T351 HydrophobicContact CG2-CG2 4.32Å; T351-F367 CarbonylContact O-C 3.29Å; T351-F367 WeakPolarHBondContact O-CA 3.28Å; T351-V368 PolarHBondContact N-O 3.34Å; T351-V368 PolarHBondContact O-N 3.38Å; T351-V368 PolarHBondContact OG1-O 3.27Å; T351-Y452 HydrophobicContact CG2-CD2 3.88Å; T351-Y452 HydrophobicContact CG2-CG 4.43Å; T351-F454 HydrophobicContact CG2-CE2 3.82Å; T351-F454 HydrophobicContact CG2-CZ 3.67Å
352A92.2Very high89.5Confident0 Ų033.6 Ų33.60%018%0.181CC..EExtended strand (participates in β ladder)trans-100.1122.8169.600000110.1S339 L340 V342 C366 F367S339-A352 WeakPolarHBondContact CA-O 3.49Å; L340-A352 HydrophobicContact CD1-CB 3.2Å; L340-A352 WeakPolarHBondContact CD1-O 3.46Å; L340-A352 HydrophobicContact CG-CB 4.25Å; L340-A352 VanDerWaalsContact CG-O 3.3Å; L340-A352 WeakPolarHBondContact CG-O 3.45Å; L340-A352 PolarHBondContact N-O 2.74Å; L340-A352 PolarHBondContact O-N 3.41Å; V342-A352 HydrophobicContact CG2-CB 4.41Å; A352-C366 CarbonylContact C-O 3.58Å; A352-C366 VanDerWaalsContact CA-O 3.28Å; A352-C366 WeakPolarHBondContact CA-O 3.2Å; A352-F367 HydrophobicContact CB-CD1 3.65Å; A352-F367 HydrophobicContact CB-CD2 4.04Å; A352-F367 HydrophobicContact CB-CE1 3.48Å; A352-F367 VanDerWaalsContact CB-CE1 3.48Å; A352-F367 HydrophobicContact CB-CE2 3.86Å; A352-F367 HydrophobicContact CB-CG 3.92Å; A352-F367 HydrophobicContact CB-CZ 3.57Å
353S91.7Very high88.9Confident4 Ų438.3 Ų38.33%0.02820%0.202CC..EExtended strand (participates in β ladder)trans-108.4128.2179.9-67.80000109.7N338 S339 L355 C366N338-S353 CarbonylContact O-C 3.46Å; N338-S353 WeakPolarHBondContact O-CA 3.28Å; S339-S353 PolarHBondContact OG-OG 2.79Å; S353-L355 PolarHBondContact O-N 3.5Å; S353-C366 PolarHBondContact N-O 2.99Å; S353-C366 PolarHBondContact O-N 3.37Å
354L91.4Very high88.4Confident2 Ų239.8 Ų39.81%0.0121%0.21CC..EExtended strand (participates in β ladder)trans-71.6117.5165.5-62.3167000107.3V276 V284 Y293 F334 N338 V356 V362 L365V276-L354 HydrophobicContact CG1-CD1 4.02Å; V276-L354 HydrophobicContact CG2-CD1 4.18Å; V284-L354 HydrophobicContact CG2-CD1 4.5Å; V284-L354 HydrophobicContact CG2-CD2 4.11Å; Y293-L354 HydrophobicContact CD2-CD2 3.96Å; Y293-L354 HydrophobicContact CG-CD2 4.3Å; F334-L354 HydrophobicContact CE1-CD1 4.01Å; N338-L354 HydrophobicContact CB-CB 4.45Å; N338-L354 WeakPolarHBondContact O-CB 3.28Å; N338-L354 PolarHBondContact O-N 2.74Å; L354-V356 HydrophobicContact CB-CG2 3.98Å; L354-V356 WeakPolarHBondContact O-CG2 3.49Å; L354-V356 PolarHBondContact O-N 2.67Å; L354-V356 VanDerWaalsContact O-N 3.13Å; L354-V362 HydrophobicContact CB-CG1 4.15Å; L354-V362 HydrophobicContact CB-CG2 4.19Å; L354-V362 HydrophobicContact CD2-CG1 3.83Å; L354-V362 HydrophobicContact CD2-CG2 4.28Å; L354-L365 HydrophobicContact CD2-CD2 3.36Å; L354-L365 HydrophobicContact CD2-CG 4.1Å; L354-L365 HydrophobicContact CG-CD2 4.25Å
355L89.2Confident88.1Confident5 Ų539.6 Ų39.63%0.02621%0.209CC..EExtended strand (participates in β ladder)trans-79.295.9175.8-70.5-178.2000108.5S353 V362 K363 D364 C366 I411 L447 V449S353-L355 PolarHBondContact O-N 3.5Å; L355-V362 WeakPolarHBondContact O-CA 3.16Å; L355-K363 PolarHBondContact O-N 3.3Å; L355-D364 HydrophobicContact CB-CB 4.37Å; L355-D364 WeakPolarHBondContact CB-O 3.47Å; L355-D364 HydrophobicContact CD1-CB 4Å; L355-D364 PolarHBondContact N-O 3.2Å; L355-C366 HydrophobicContact CD1-CB 4.26Å; L355-C366 HydrophobicContact CG-CB 4.42Å; L355-I411 HydrophobicContact CD1-CD1 4.34Å; L355-I411 HydrophobicContact CD1-CG1 4.16Å; L355-L447 HydrophobicContact CB-CD1 3.78Å; L355-L447 HydrophobicContact CD2-CB 3.95Å; L355-L447 HydrophobicContact CD2-CD1 4.36Å; L355-L447 HydrophobicContact CG-CD1 4.47Å; L355-V449 HydrophobicContact CD2-CG2 3.53Å
356V87.1Confident87.9Confident31 Ų3134.6 Ų34.619%0.18819%0.193CC..EExtended strand (participates in β ladder)trans-100.4133.3-173.5-164.50000110.8V280 N338 L354 N360 M361 V362V280-V356 HydrophobicContact CG1-CG2 4.43Å; V280-V356 HydrophobicContact CG2-CG1 4.32Å; V280-V356 HydrophobicContact CG2-CG2 4.2Å; N338-V356 HydrophobicContact CB-CG2 3.86Å; L354-V356 HydrophobicContact CB-CG2 3.98Å; L354-V356 WeakPolarHBondContact O-CG2 3.49Å; L354-V356 PolarHBondContact O-N 2.67Å; L354-V356 VanDerWaalsContact O-N 3.13Å; V356-N360 HydrophobicContact CG1-CB 4.31Å; V356-M361 WeakPolarHBondContact CA-O 3.46Å; V356-V362 HydrophobicContact CG2-CG2 4.23Å
357D82.1Confident87.9Confident49 Ų4933 Ų3326%0.26218%0.18SC..  trans-79.2169.1171.1-172.77.3000111.6L359 N360 M361D357-L359 PolarHBondContact O-N 3.35Å; D357-N360 PolarHBondContact O-N 2.98Å; D357-M361 PolarHBondContact N-O 3.06Å
358S79.5Confident87.7Confident108 Ų10834 Ų3476%0.75519%0.187SC*.THydrogen-bonded Turntrans-47.8-26.1173.157.90000115.4
359L82.3Confident87.5Confident134 Ų13440.6 Ų40.670%0.70221%0.208SC*.THydrogen-bonded Turntrans-91.311.5176.9-64.2176.6000114.2D357 M361D357-L359 PolarHBondContact O-N 3.35Å; L359-M361 HydrophobicContact CB-CG 4.04Å; L359-M361 PolarHBondContact O-N 3.41Å
360N82.3Confident87Confident72 Ų7241.4 Ų41.439%0.38522%0.216SC..SBendtrans63.121.7-172.6-63.8-48.9000114.9V356 D357V356-N360 HydrophobicContact CG1-CB 4.31Å; D357-N360 PolarHBondContact O-N 2.98Å
361M83Confident86.7Confident58 Ų5845.1 Ų45.129%0.28624%0.237SC..  trans-89.6124.7177.2-58.8-65.9-76.600109.8V298 V356 D357 L359V298-M361 HydrophobicContact CB-CE 3.82Å; V298-M361 HydrophobicContact CG1-CE 3.93Å; V298-M361 HydrophobicContact CG2-CE 3.28Å; V298-M361 HydrophobicContact CG2-SD 3.52Å; V298-M361 VanDerWaalsContact CG2-SD 3.52Å; V356-M361 WeakPolarHBondContact CA-O 3.46Å; D357-M361 PolarHBondContact N-O 3.06Å; L359-M361 HydrophobicContact CB-CG 4.04Å; L359-M361 PolarHBondContact O-N 3.41Å
362V85.3Confident86.5Confident4 Ų448.4 Ų48.42%0.02426%0.26CS..EExtended strand (participates in β ladder)trans-76.3124.9174.9-1770000109.4V280 Y293 V298 L354 L355 V356V280-V362 HydrophobicContact CG1-CG2 3.67Å; Y293-V362 HydrophobicContact CD1-CB 3.72Å; Y293-V362 HydrophobicContact CD1-CG1 3.94Å; Y293-V362 HydrophobicContact CD1-CG2 4.14Å; Y293-V362 HydrophobicContact CD2-CG2 4.12Å; Y293-V362 HydrophobicContact CE1-CB 3.49Å; Y293-V362 VanDerWaalsContact CE1-CB 3.49Å; Y293-V362 HydrophobicContact CE1-CG1 4.23Å; Y293-V362 HydrophobicContact CE1-CG2 3.68Å; Y293-V362 HydrophobicContact CE2-CB 4.29Å; Y293-V362 HydrophobicContact CE2-CG2 3.63Å; Y293-V362 HydrophobicContact CG-CB 4.22Å; Y293-V362 HydrophobicContact CG-CG1 4.1Å; Y293-V362 HydrophobicContact CG-CG2 4.34Å; V298-V362 WeakPolarHBondContact CG1-O 3.11Å; L354-V362 HydrophobicContact CB-CG1 4.15Å; L354-V362 HydrophobicContact CB-CG2 4.19Å; L354-V362 HydrophobicContact CD2-CG1 3.83Å; L354-V362 HydrophobicContact CD2-CG2 4.28Å; L355-V362 WeakPolarHBondContact O-CA 3.16Å; V356-V362 HydrophobicContact CG2-CG2 4.23Å
363K83.9Confident86.4Confident100 Ų10049.2 Ų49.244%0.43527%0.265SS..EExtended strand (participates in β ladder)trans-96-42.5177.5-64.4-67-173.6173.10112.2L355 I411L355-K363 PolarHBondContact O-N 3.3Å; K363-I411 HydrophobicContact CB-CD1 4.12Å
364D85Confident86.4Confident30 Ų3049.7 Ų49.716%0.1627%0.268CS..EExtended strand (participates in β ladder)trans-155.4170.6-173.8-165.516.1000111.8C301 L355C301-D364 VanDerWaalsContact SG-CA 3.52Å; L355-D364 HydrophobicContact CB-CB 4.37Å; L355-D364 WeakPolarHBondContact CB-O 3.47Å; L355-D364 HydrophobicContact CD1-CB 4Å; L355-D364 PolarHBondContact N-O 3.2Å
365L88.3Confident86.5Confident7 Ų750.5 Ų50.54%0.03727%0.272CS..EExtended strand (participates in β ladder)trans-121.4119179.7-83.2158.3000109.5V291 V303 L354V291-L365 HydrophobicContact CB-CD1 4.48Å; V291-L365 HydrophobicContact CG1-CD1 3.96Å; V303-L365 HydrophobicContact CG2-CB 3.75Å; L354-L365 HydrophobicContact CD2-CD2 3.36Å; L354-L365 HydrophobicContact CD2-CG 4.1Å; L354-L365 HydrophobicContact CG-CD2 4.25Å
366C88Confident86.8Confident23 Ų2350.9 Ų50.916%0.15528%0.275CS..EExtended strand (participates in β ladder)trans-113128.8178.2-174.10000111A352 S353 L355 V449A352-C366 CarbonylContact C-O 3.58Å; A352-C366 VanDerWaalsContact CA-O 3.28Å; A352-C366 WeakPolarHBondContact CA-O 3.2Å; S353-C366 PolarHBondContact N-O 2.99Å; S353-C366 PolarHBondContact O-N 3.37Å; L355-C366 HydrophobicContact CD1-CB 4.26Å; L355-C366 HydrophobicContact CG-CB 4.42Å; C366-V449 HydrophobicContact CB-CG2 3.84Å
367F89Confident87.1Confident16 Ų1651.2 Ų51.27%0.0728%0.279CS..EExtended strand (participates in β ladder)trans-100.3135.1171.3-72.9-107.2000110.6V291 L305 L323 I325 V342 F350 T351 A352V291-F367 HydrophobicContact CB-CE2 4.36Å; V291-F367 HydrophobicContact CB-CZ 4.23Å; V291-F367 HydrophobicContact CG2-CE2 4.1Å; V291-F367 HydrophobicContact CG2-CZ 3.56Å; L305-F367 HydrophobicContact CD2-CD2 3.94Å; L305-F367 HydrophobicContact CD2-CE2 3.76Å; L305-F367 HydrophobicContact CD2-CZ 4.18Å; L323-F367 HydrophobicContact CD1-CB 3.56Å; L323-F367 HydrophobicContact CD1-CD2 3.94Å; L323-F367 HydrophobicContact CD1-CG 3.92Å; L323-F367 HydrophobicContact CD2-CB 3.69Å; L323-F367 HydrophobicContact CD2-CG 4.5Å; L323-F367 HydrophobicContact CG-CB 4.25Å; I325-F367 HydrophobicContact CD1-CD1 4.4Å; V342-F367 HydrophobicContact CG2-CE1 4.11Å; F350-F367 HydrophobicContact CB-CD1 4.14Å; T351-F367 CarbonylContact O-C 3.29Å; T351-F367 WeakPolarHBondContact O-CA 3.28Å; A352-F367 HydrophobicContact CB-CD1 3.65Å; A352-F367 HydrophobicContact CB-CD2 4.04Å; A352-F367 HydrophobicContact CB-CE1 3.48Å; A352-F367 VanDerWaalsContact CB-CE1 3.48Å; A352-F367 HydrophobicContact CB-CE2 3.86Å; A352-F367 HydrophobicContact CB-CG 3.92Å; A352-F367 HydrophobicContact CB-CZ 3.57Å
368V88.8Confident87.7Confident21 Ų2150.1 Ų50.113%0.12727%0.274CS..EExtended strand (participates in β ladder)trans-120.3132.3170-179.90000108.3F350 T351 V449 E451F350-V368 CarbonylContact C-O 3.53Å; F350-V368 WeakPolarHBondContact CA-O 3.24Å; T351-V368 PolarHBondContact N-O 3.34Å; T351-V368 PolarHBondContact O-N 3.38Å; T351-V368 PolarHBondContact OG1-O 3.27Å; V368-V449 HydrophobicContact CG2-CG1 3.81Å; V368-E451 HydrophobicContact CG1-CG 4.21Å
369R87.4Confident88.5Confident177 Ų17745.4 Ų45.467%0.66824%0.24SC*.EExtended strand (participates in β ladder)trans-73.1127.5178.2-175.8174.7-178.1171.33.9110.1F350F350-R369 HydrophobicContact CD1-CB 4Å; F350-R369 HydrophobicContact CD1-CG 4.33Å; F350-R369 HydrophobicContact CE1-CB 3.65Å; F350-R369 HydrophobicContact CE1-CG 3.75Å; F350-R369 HydrophobicContact CZ-CB 4.37Å; F350-R369 HydrophobicContact CZ-CG 3.94Å
370G84.8Confident89.1Confident17 Ų1739.4 Ų39.418%0.17521%0.209CC..EExtended strand (participates in β ladder)trans-100.7-159171.200000112.6L349L349-G370 CarbonylContact O-C 3.32Å; L349-G370 WeakPolarHBondContact O-CA 3.42Å; L349-G370 PolarHBondContact O-N 2.97Å
371N86.9Confident89.7Confident88 Ų8839.2 Ų39.247%0.47121%0.205SC..EExtended strand (participates in β ladder)trans-78.2162.9178.2-70-18.2000112.5L349 F454L349-N371 WeakPolarHBondContact CB-O 3.42Å; L349-N371 WeakPolarHBondContact CG-O 3.38Å; L349-N371 PolarHBondContact N-O 3.49Å; N371-F454 HydrophobicContact CB-CB 4.47Å; N371-F454 PolarHBondContact ND2-O 2.73Å
372S88.1Confident90.1Very high70 Ų7036.8 Ų36.849%0.4919%0.194SC..EExtended strand (participates in β ladder)trans-85.4136.6169.4-157.30000110.4D348 K499D348-S372 VanDerWaalsContact OD1-CB 3.23Å; D348-S372 WeakPolarHBondContact OD1-CB 3.3Å; D348-S372 PolarHBondContact OD1-OG 3.37Å; S372-K499 PolarHBondContact OG-NZ 2.92Å
373S90.2Very high90.1Very high17 Ų1738.4 Ų38.412%0.11920%0.202CC..  trans-121.4-128177.369.20000110.5G347 L349 K499G347-S373 CarbonylContact O-C 3.5Å; G347-S373 PolarHBondContact O-N 3.41Å; G347-S373 PolarHBondContact O-OG 2.92Å; L349-S373 WeakPolarHBondContact CD2-OG 3.36Å; S373-K499 WeakPolarHBondContact O-CE 3.08Å; S373-K499 PolarHBondContact O-NZ 3.28Å
374V91.7Very high89.9Confident15 Ų1542 Ų429%0.09122%0.221CC..  trans-110160179.7-161.20000109.5G347 P376 N395 V397 N500G347-V374 WeakPolarHBondContact CA-O 3.39Å; V374-P376 WeakPolarHBondContact O-CD 3.4Å; V374-N395 WeakPolarHBondContact CG1-O 3.38Å; V374-V397 HydrophobicContact CG2-CB 4.31Å; V374-V397 HydrophobicContact CG2-CG1 3.56Å; V374-V397 HydrophobicContact CG2-CG2 3.73Å; V374-N500 WeakPolarHBondContact CG1-ND2 3.34Å
375I93.6Very high90.1Very high18 Ų1841.4 Ų41.49%0.09222%0.222CC..  trans-65.5116.9175.8-58.3169.9000108.4R345 S391 L393 N500R345-I375 WeakPolarHBondContact O-CG2 3.49Å; I375-S391 WeakPolarHBondContact O-CB 3.47Å; I375-S391 PolarHBondContact O-OG 3.42Å; I375-L393 HydrophobicContact CD1-CD1 4.39Å; I375-L393 HydrophobicContact CG2-CD1 3.99Å; I375-N500 PolarHBondContact N-ND2 3.22Å
376P94.9Very high90.4Very high14 Ų1442.1 Ų42.19%0.09123%0.225CC..  trans-80.2145.4-171.135-38.9000111.9A343 L344 V374 V389A343-P376 HydrophobicContact CB-CB 3.81Å; A343-P376 HydrophobicContact CB-CG 3.57Å; L344-P376 WeakPolarHBondContact O-CD 3.37Å; V374-P376 WeakPolarHBondContact O-CD 3.4Å; P376-V389 HydrophobicContact CB-CG1 4.05Å
377S94.5Very high90.7Very high38 Ų3841 Ų4127%0.26622%0.217SC..SBendtrans-110.3-33.4159.155.70000111.5V14 G390 S391V14-S377 PolarHBondContact O-OG 2.94Å; S377-G390 PolarHBondContact N-O 3.09Å; S377-G390 PolarHBondContact OG-O 3.06Å; S377-S391 WeakPolarHBondContact OG-CA 3.04Å; S377-S391 PolarHBondContact OG-N 2.8Å
378V94.6Very high91.1Very high25 Ų2540.4 Ų40.415%0.15221%0.214CC..EExtended strand (participates in β ladder)trans-149.8140.8177.960.40000109.8V14 A17 G390V14-V378 HydrophobicContact CG1-CG1 4.15Å; A17-V378 HydrophobicContact CB-CG1 4Å; A17-V378 HydrophobicContact CB-CG2 4.36Å; V378-G390 PolarHBondContact N-O 2.84Å; V378-G390 PolarHBondContact O-N 3.14Å
379L95.7Very high91.5Very high9 Ų939.4 Ų39.45%0.04721%0.208CC..EExtended strand (participates in β ladder)trans-107.6137.7166.6-68.7-178.1000109.2S331 D333 V341 A343 L387 V389S331-L379 WeakPolarHBondContact O-CD1 3.21Å; S331-L379 PolarHBondContact OG-N 3.15Å; D333-L379 HydrophobicContact CB-CB 3.88Å; V341-L379 HydrophobicContact CG1-CD1 4.49Å; V341-L379 WeakPolarHBondContact O-CD1 3.43Å; A343-L379 HydrophobicContact CB-CD1 3.9Å; A343-L379 HydrophobicContact CB-CD2 4.14Å; A343-L379 HydrophobicContact CB-CG 4.31Å; L379-L387 HydrophobicContact CD2-CD2 4.49Å; L379-V389 HydrophobicContact CD2-CB 4.09Å; L379-V389 HydrophobicContact CD2-CG1 3.92Å; L379-V389 HydrophobicContact CD2-CG2 3.63Å
380C95.5Very high91.9Very high8 Ų831 Ų315%0.05418%0.176CC..EExtended strand (participates in β ladder)trans-139.9114.4176.9-1780000110.2A17 L30 D333 C382 F388A17-C380 HydrophobicContact CB-CB 3.82Å; L30-C380 HydrophobicContact CD1-CB 4.49Å; D333-C380 WeakPolarHBondContact OD2-CA 3.49Å; C380-C382 PolarHBondContact O-N 2.84Å; C380-F388 PolarHBondContact N-O 3.47Å; C380-F388 PolarHBondContact O-N 3.06Å
381K94.5Very high92.5Very high69 Ų6930.2 Ų30.230%0.317%0.168SC..EExtended strand (participates in β ladder)trans-63.3125.5170.1-172.3-161.3170.4169.90109.8Y19 D333 F334 I335Y19-K381 WeakPolarHBondContact CB-O 3.44Å; D333-K381 PolarHBondContact OD2-N 2.8Å; F334-K381 WeakPolarHBondContact O-CD 3.4Å; I335-K381 VanDerWaalsContact O-CE 3.29Å; I335-K381 WeakPolarHBondContact O-CE 3.4Å; I335-K381 PolarHBondContact O-NZ 3.2Å
382C91.9Very high92.9Very high6 Ų630 Ų304%0.04117%0.165CC..  trans-94.7-152.4173.3-640000110Y19 L43 C380 F386Y19-C382 HydrophobicContact CD2-CB 4.19Å; Y19-C382 HydrophobicContact CE2-CB 4.26Å; Y19-C382 HydrophobicContact CG-CB 4.43Å; L43-C382 HydrophobicContact CD1-CB 4.2Å; C380-C382 PolarHBondContact O-N 2.84Å; C382-F386 HydrophobicContact CB-CB 3.86Å; C382-F386 WeakPolarHBondContact CB-O 3.36Å; C382-F386 PolarHBondContact N-O 3.24Å
383N84.7Confident93.2Very high39 Ų3929.2 Ų29.221%0.20916%0.156CC..SBendtrans-52.3161.8166.4-82.4-19000112.1Y19 L43 G385 F386Y19-N383 HydrophobicContact CE1-CB 4.48Å; Y19-N383 VanDerWaalsContact CE1-N 3.35Å; Y19-N383 VanDerWaalsContact CE1-OD1 3.31Å; Y19-N383 WeakPolarHBondContact CE1-OD1 3.27Å; Y19-N383 PolarHBondContact OH-ND2 2.94Å; Y19-N383 PolarHBondContact OH-OD1 2.73Å; L43-N383 HydrophobicContact CD1-CB 4.22Å; N383-G385 PolarHBondContact O-N 2.94Å; N383-F386 PolarHBondContact O-N 2.91Å
384E79.6Confident93.3Very high175 Ų17528.4 Ų28.482%0.81815%0.15SC*.THydrogen-bonded Turntrans-50.8128178.5-63.8-168.5158.800111.8
385G89.6Confident93.5Very high18 Ų1829.2 Ų29.219%0.18615%0.154CC..THydrogen-bonded Turntrans86.4-0.2-178.600000115.2N383 R400 Y401N383-G385 PolarHBondContact O-N 2.94Å; G385-R400 CarbonylContact O-C 3.59Å; G385-R400 VanDerWaalsContact O-CA 3.25Å; G385-R400 WeakPolarHBondContact O-CA 3.41Å; G385-Y401 VanDerWaalsContact C-CD1 3.41Å; G385-Y401 WeakPolarHBondContact CA-O 3.19Å; G385-Y401 PolarHBondContact N-OH 3.47Å; G385-Y401 WeakPolarHBondContact O-CD1 3.34Å; G385-Y401 PolarHBondContact O-N 3.43Å
386F94.5Very high93.6Very high22 Ų2228.4 Ų28.410%0.09615%0.15CC..EExtended strand (participates in β ladder)trans-123.8136.9177.9-66.4-82.4000113.4L43 T65 C382 N383 L398 L399 R400 Y401 V457L43-F386 HydrophobicContact CD2-CD1 4.43Å; L43-F386 HydrophobicContact CD2-CG 4.37Å; T65-F386 HydrophobicContact CG2-CE1 4.04Å; T65-F386 HydrophobicContact CG2-CZ 3.85Å; C382-F386 HydrophobicContact CB-CB 3.86Å; C382-F386 WeakPolarHBondContact CB-O 3.36Å; C382-F386 PolarHBondContact N-O 3.24Å; N383-F386 PolarHBondContact O-N 2.91Å; F386-L398 HydrophobicContact CB-CD1 4.26Å; F386-L398 HydrophobicContact CD1-CD1 4.33Å; F386-L398 HydrophobicContact CD1-CD2 4.13Å; F386-L398 HydrophobicContact CD1-CG 4.19Å; F386-L399 CarbonylContact C-O 3.57Å; F386-L399 WeakPolarHBondContact CA-O 3.47Å; F386-R400 HydrophobicContact CD1-CB 4.35Å; F386-R400 HydrophobicContact CE1-CB 4.16Å; F386-R400 HydrophobicContact CE1-CG 4.47Å; F386-Y401 VanDerWaalsContact N-CE1 3.25Å; F386-V457 HydrophobicContact CE1-CG2 4.32Å
387L95.1Very high93.7Very high0 Ų028.1 Ų28.10%015%0.148CC..EExtended strand (participates in β ladder)trans-132.3126.2178.2179.769.7000109.4V341 L379 L399 Y401 F454V341-L387 HydrophobicContact CB-CD2 4.03Å; V341-L387 HydrophobicContact CG1-CD2 3.75Å; V341-L387 HydrophobicContact CG2-CD2 4.19Å; L379-L387 HydrophobicContact CD2-CD2 4.49Å; L387-L399 HydrophobicContact CB-CB 4.4Å; L387-L399 PolarHBondContact N-O 3.1Å; L387-L399 WeakPolarHBondContact O-CB 3.41Å; L387-L399 PolarHBondContact O-N 3.22Å; L387-Y401 HydrophobicContact CB-CD1 4.04Å; L387-Y401 HydrophobicContact CB-CE1 4.37Å; L387-F454 HydrophobicContact CD2-CE1 4.27Å
388F97.2Very high93.7Very high2 Ų226.3 Ų26.31%0.00914%0.135CC..EExtended strand (participates in β ladder)trans-95.5129.8174.9-178.8-106.5000111V14 A17 L30 V32 L67 C380 V397 L398V14-F388 HydrophobicContact CG1-CE1 4.2Å; A17-F388 HydrophobicContact CB-CD1 3.88Å; A17-F388 HydrophobicContact CB-CE1 4.04Å; L30-F388 HydrophobicContact CD1-CB 4.19Å; L30-F388 HydrophobicContact CD1-CD1 4.16Å; L30-F388 HydrophobicContact CD1-CG 4.26Å; L30-F388 HydrophobicContact CD2-CB 3.92Å; L30-F388 HydrophobicContact CD2-CD1 4Å; L30-F388 HydrophobicContact CD2-CD2 3.64Å; L30-F388 HydrophobicContact CD2-CE1 4.41Å; L30-F388 HydrophobicContact CD2-CE2 4.09Å; L30-F388 HydrophobicContact CD2-CG 3.58Å; L30-F388 HydrophobicContact CD2-CZ 4.45Å; V32-F388 HydrophobicContact CG1-CE1 4.38Å; V32-F388 HydrophobicContact CG1-CZ 4.45Å; V32-F388 HydrophobicContact CG2-CE1 3.86Å; V32-F388 HydrophobicContact CG2-CZ 3.98Å; L67-F388 HydrophobicContact CD1-CD2 4.41Å; L67-F388 HydrophobicContact CD1-CE2 4.19Å; C380-F388 PolarHBondContact N-O 3.47Å; C380-F388 PolarHBondContact O-N 3.06Å; F388-V397 WeakPolarHBondContact CD2-O 3.29Å; F388-L398 HydrophobicContact CB-CD1 4.5Å
389V96.6Very high93.7Very high0 Ų025.2 Ų25.20%013%0.128CC..EExtended strand (participates in β ladder)trans-110.1102.2174.6-171.90000108.4P376 L379 S396 V397 L399P376-V389 HydrophobicContact CB-CG1 4.05Å; L379-V389 HydrophobicContact CD2-CB 4.09Å; L379-V389 HydrophobicContact CD2-CG1 3.92Å; L379-V389 HydrophobicContact CD2-CG2 3.63Å; V389-S396 CarbonylContact O-C 3.5Å; V389-S396 WeakPolarHBondContact O-CA 3.11Å; V389-S396 WeakPolarHBondContact O-CB 3.43Å; V389-V397 HydrophobicContact CB-CG2 3.78Å; V389-V397 HydrophobicContact CG2-CG2 4.14Å; V389-V397 PolarHBondContact N-O 3.34Å; V389-V397 PolarHBondContact O-N 3.35Å; V389-L399 HydrophobicContact CG2-CD1 3.51Å; V389-L399 HydrophobicContact CG2-CG 4.04Å
390G96.4Very high93.6Very high0 Ų030 Ų300%015%0.146CC..EExtended strand (participates in β ladder)trans-73.5141.117000000110.2S377 V378S377-G390 PolarHBondContact N-O 3.09Å; S377-G390 PolarHBondContact OG-O 3.06Å; V378-G390 PolarHBondContact N-O 2.84Å; V378-G390 PolarHBondContact O-N 3.14Å
391S96.5Very high93.4Very high1 Ų130.5 Ų30.51%0.00715%0.147CC..  trans-135.4137.4176-173.10000111.5V14 I375 S377 L393 G394 S396 N462V14-S391 PolarHBondContact N-O 3.48Å; I375-S391 WeakPolarHBondContact O-CB 3.47Å; I375-S391 PolarHBondContact O-OG 3.42Å; S377-S391 WeakPolarHBondContact OG-CA 3.04Å; S377-S391 PolarHBondContact OG-N 2.8Å; S391-L393 PolarHBondContact OG-N 2.82Å; S391-G394 WeakPolarHBondContact CB-O 3.47Å; S391-G394 PolarHBondContact OG-N 3.08Å; S391-S396 PolarHBondContact N-OG 2.83Å; S391-S396 VanDerWaalsContact N-OG 3.08Å; S391-N462 PolarHBondContact O-ND2 3.31Å
392M95.2Very high93.2Very high83 Ų8331.5 Ų31.541%0.40915%0.152SC..SBendtrans-88.7-19168.6-68.7178.5177.900113.1A13 V14 N15 N462 G464A13-M392 HydrophobicContact CB-CB 4.15Å; A13-M392 HydrophobicContact CB-CG 4.24Å; V14-M392 WeakPolarHBondContact O-CG 3.37Å; N15-M392 HydrophobicContact CB-CE 3.14Å; M392-N462 VanDerWaalsContact C-ND2 3.34Å; M392-N462 PolarHBondContact O-ND2 3.23Å; M392-G464 CarbonylContact O-C 3.57Å
393L94.6Very high93.1Very high54 Ų5436 Ų3628%0.28318%0.176SC..SBendtrans-111.82.8-169-60.5-179.6000113.7I375 S391 G464 P465 G496 H497 N500I375-L393 HydrophobicContact CD1-CD1 4.39Å; I375-L393 HydrophobicContact CG2-CD1 3.99Å; S391-L393 PolarHBondContact OG-N 2.82Å; L393-G464 CarbonylContact C-O 3.55Å; L393-P465 HydrophobicContact CD2-CG 4.18Å; L393-G496 VanDerWaalsContact O-CA 3.29Å; L393-G496 WeakPolarHBondContact O-CA 3.43Å; L393-H497 HydrophobicContact CB-CB 4.1Å; L393-H497 HydrophobicContact CD1-CB 4.09Å; L393-H497 HydrophobicContact CD2-CB 4.3Å; L393-H497 HydrophobicContact CG-CB 4.4Å; L393-H497 PolarHBondContact O-N 2.95Å; L393-N500 WeakPolarHBondContact O-CB 3.4Å
394G92.4Very high93.2Very high0 Ų038.4 Ų38.40%019%0.192CC..SBendtrans-172.5-179.9-175.900000110.7S391 N462S391-G394 WeakPolarHBondContact CB-O 3.47Å; S391-G394 PolarHBondContact OG-N 3.08Å; G394-N462 WeakPolarHBondContact O-CB 3.04Å; G394-N462 PolarHBondContact O-ND2 3.33Å
395N95.5Very high93.4Very high32 Ų3231.4 Ų31.417%0.17117%0.166CC..  trans-59.7142.7179.3-66.7-2.3000110.5V374 V460 N462 K1013V374-N395 WeakPolarHBondContact CG1-O 3.38Å; N395-V460 CarbonylContact C-O 3.55Å; N395-V460 VanDerWaalsContact CA-O 3.32Å; N395-V460 WeakPolarHBondContact CA-O 3.5Å; N395-V460 WeakPolarHBondContact CB-O 3.43Å; N395-N462 PolarHBondContact OD1-N 3.37Å; N395-N462 VanDerWaalsContact OD1-N 3.1Å; N395-K1013 PolarHBondContact OD1-NZ 2.8Å
396S96.5Very high93.2Very high1 Ų134.2 Ų34.21%0.00718%0.184CC..EExtended strand (participates in β ladder)trans-81.8146.2171-58.90000109.3V14 V389 S391 S459 V460V14-S396 VanDerWaalsContact CG2-OG 3.31Å; V14-S396 WeakPolarHBondContact CG2-OG 3.5Å; V389-S396 CarbonylContact O-C 3.5Å; V389-S396 WeakPolarHBondContact O-CA 3.11Å; V389-S396 WeakPolarHBondContact O-CB 3.43Å; S391-S396 PolarHBondContact N-OG 2.83Å; S391-S396 VanDerWaalsContact N-OG 3.08Å; S396-S459 CarbonylContact O-C 3.5Å; S396-S459 WeakPolarHBondContact O-CA 3.44Å; S396-V460 PolarHBondContact N-O 3.34Å; S396-V460 PolarHBondContact O-N 3.09Å
397V95.8Very high92.5Very high8 Ų837.3 Ų37.35%0.04820%0.197CC..EExtended strand (participates in β ladder)trans-129.1144.1-173-66.10000112.3V374 F388 V389 L399 V456 D458V374-V397 HydrophobicContact CG2-CB 4.31Å; V374-V397 HydrophobicContact CG2-CG1 3.56Å; V374-V397 HydrophobicContact CG2-CG2 3.73Å; F388-V397 WeakPolarHBondContact CD2-O 3.29Å; V389-V397 HydrophobicContact CB-CG2 3.78Å; V389-V397 HydrophobicContact CG2-CG2 4.14Å; V389-V397 PolarHBondContact N-O 3.34Å; V389-V397 PolarHBondContact O-N 3.35Å; V397-L399 HydrophobicContact CG2-CD2 4.07Å; V397-L399 HydrophobicContact CG2-CG 4.27Å; V397-V456 HydrophobicContact CB-CG1 4.26Å; V397-V456 HydrophobicContact CG1-CG1 4.16Å; V397-D458 WeakPolarHBondContact CA-O 3.42Å
398L95.5Very high91.5Very high0 Ų040.2 Ų40.20%022%0.221CC..EExtended strand (participates in β ladder)trans-96.3118166.5-178.168.8000108.5L43 L67 F386 F388 V457 D458L43-L398 HydrophobicContact CD2-CD1 4.16Å; L43-L398 HydrophobicContact CD2-CD2 3.53Å; L43-L398 HydrophobicContact CD2-CG 4.49Å; L67-L398 HydrophobicContact CD1-CB 4.24Å; L67-L398 HydrophobicContact CD2-CD1 4.49Å; L67-L398 HydrophobicContact CD2-CD2 4.02Å; L67-L398 HydrophobicContact CG-CB 4.39Å; L67-L398 HydrophobicContact CG-CD2 4.06Å; F386-L398 HydrophobicContact CB-CD1 4.26Å; F386-L398 HydrophobicContact CD1-CD1 4.33Å; F386-L398 HydrophobicContact CD1-CD2 4.13Å; F386-L398 HydrophobicContact CD1-CG 4.19Å; F388-L398 HydrophobicContact CB-CD1 4.5Å; L398-V457 PolarHBondContact O-N 2.97Å; L398-D458 HydrophobicContact CB-CB 4.15Å; L398-D458 PolarHBondContact N-O 3.15Å; L398-D458 PolarHBondContact O-N 2.83Å
399L94.2Very high90.4Very high2 Ų241.4 Ų41.41%0.0123%0.228CC..EExtended strand (participates in β ladder)trans-98.4135.9176.2-57.7177.8000110L349 F386 L387 V389 V397 F454 E455 V456L349-L399 HydrophobicContact CD1-CD1 3.55Å; F386-L399 CarbonylContact C-O 3.57Å; F386-L399 WeakPolarHBondContact CA-O 3.47Å; L387-L399 HydrophobicContact CB-CB 4.4Å; L387-L399 PolarHBondContact N-O 3.1Å; L387-L399 WeakPolarHBondContact O-CB 3.41Å; L387-L399 PolarHBondContact O-N 3.22Å; V389-L399 HydrophobicContact CG2-CD1 3.51Å; V389-L399 HydrophobicContact CG2-CG 4.04Å; V397-L399 HydrophobicContact CG2-CD2 4.07Å; V397-L399 HydrophobicContact CG2-CG 4.27Å; L399-F454 HydrophobicContact CD1-CD1 4.27Å; L399-E455 CarbonylContact C-O 3.22Å; L399-E455 VanDerWaalsContact CA-O 3.24Å; L399-E455 WeakPolarHBondContact CA-O 3.27Å; L399-V456 HydrophobicContact CD2-CB 4.33Å; L399-V456 HydrophobicContact CD2-CG2 3.61Å
400R93Very high88.9Confident109 Ų10946.1 Ų46.141%0.41125%0.25SS..EExtended strand (participates in β ladder)trans-91.9130.5159.9177.8-179.9-176.5175.40.5107.7G385 F386 E402 F454 E455 V457G385-R400 CarbonylContact O-C 3.59Å; G385-R400 VanDerWaalsContact O-CA 3.25Å; G385-R400 WeakPolarHBondContact O-CA 3.41Å; F386-R400 HydrophobicContact CD1-CB 4.35Å; F386-R400 HydrophobicContact CE1-CB 4.16Å; F386-R400 HydrophobicContact CE1-CG 4.47Å; R400-E402 HydrophobicContact CG-CG 4.19Å; R400-E402 IonicContact CZ-OE1 3.89Å; R400-E402 IonicContact NE-OE1 3.77Å; R400-E402 PolarHBondContact NE-OE1 3Å; R400-E402 IonicContact NH2-OE1 3.84Å; R400-E402 PolarHBondContact NH2-OE1 2.83Å; R400-F454 WeakPolarHBondContact O-CA 3.44Å; R400-E455 PolarHBondContact N-O 3.33Å; R400-E455 PolarHBondContact O-N 2.94Å; R400-V457 HydrophobicContact CB-CG2 3.39Å
401Y92.4Very high87.1Confident19 Ų1946.8 Ų46.88%0.07525%0.254CS..EExtended strand (participates in β ladder)trans-116.6133.6173.869.4-93000110.3I335 G385 F386 L387 Y452 S453 F454I335-Y401 HydrophobicContact CB-CE2 4.3Å; I335-Y401 HydrophobicContact CD1-CD2 4.45Å; I335-Y401 HydrophobicContact CD1-CE2 4.34Å; I335-Y401 HydrophobicContact CG2-CE1 4.11Å; G385-Y401 VanDerWaalsContact C-CD1 3.41Å; G385-Y401 WeakPolarHBondContact CA-O 3.19Å; G385-Y401 PolarHBondContact N-OH 3.47Å; G385-Y401 WeakPolarHBondContact O-CD1 3.34Å; G385-Y401 PolarHBondContact O-N 3.43Å; F386-Y401 VanDerWaalsContact N-CE1 3.25Å; L387-Y401 HydrophobicContact CB-CD1 4.04Å; L387-Y401 HydrophobicContact CB-CE1 4.37Å; Y401-Y452 AromaticContact CD2-CD1 3.84Å; Y401-Y452 HydrophobicContact CD2-CD1 3.84Å; Y401-Y452 HydrophobicContact CD2-CE1 4.16Å; Y401-Y452 HydrophobicContact CE2-CE1 4.39Å; Y401-S453 WeakPolarHBondContact CA-O 3.46Å; Y401-F454 HydrophobicContact CG-CE1 4.48Å
402E90.2Very high85Confident90 Ų9054.5 Ų54.542%0.42128%0.283SS..EExtended strand (participates in β ladder)trans-129.5144.4178.9-60.6-163.6149.700110R400 T404 Y452 S453R400-E402 HydrophobicContact CG-CG 4.19Å; R400-E402 IonicContact CZ-OE1 3.89Å; R400-E402 IonicContact NE-OE1 3.77Å; R400-E402 PolarHBondContact NE-OE1 3Å; R400-E402 IonicContact NH2-OE1 3.84Å; R400-E402 PolarHBondContact NH2-OE1 2.83Å; E402-T404 PolarHBondContact O-N 2.97Å; E402-Y452 CarbonylContact O-C 3.43Å; E402-Y452 VanDerWaalsContact O-CA 3.27Å; E402-Y452 WeakPolarHBondContact O-CA 3.28Å; E402-S453 PolarHBondContact N-O 2.92Å; E402-S453 PolarHBondContact O-N 3.05Å; E402-S453 PolarHBondContact O-OG 3.33Å
403L89.8Confident82.7Confident101 Ų10156.8 Ų56.853%0.52929%0.292SS..EExtended strand (participates in β ladder)trans-72.1108.7175-177.871.2000108.4G405 N450 E451 Y452L403-G405 WeakPolarHBondContact CD1-O 3.44Å; L403-N450 HydrophobicContact CD1-CB 3.48Å; L403-N450 VanDerWaalsContact CD1-CB 3.48Å; L403-E451 WeakPolarHBondContact CD1-O 3.47Å; L403-Y452 HydrophobicContact CB-CD1 4.39Å; L403-Y452 HydrophobicContact CB-CE1 4.18Å; L403-Y452 HydrophobicContact CD1-CD1 4.41Å; L403-Y452 HydrophobicContact CD1-CE1 4Å
404T85.7Confident80.1Confident89 Ų8959.3 Ų59.355%0.54630%0.302SS..EExtended strand (participates in β ladder)trans-84.7-29.6179.645.40000112.7E402 E451 S453E402-T404 PolarHBondContact O-N 2.97Å; T404-E451 PolarHBondContact N-O 2.9Å; T404-E451 PolarHBondContact OG1-O 2.97Å; T404-E451 VanDerWaalsContact OG1-O 3.09Å; T404-S453 VanDerWaalsContact CG2-CB 3.4Å; T404-S453 VanDerWaalsContact CG2-OG 3.29Å; T404-S453 WeakPolarHBondContact CG2-OG 3.26Å
405G85.1Confident77.5Confident28 Ų2865 Ų6529%0.28934%0.337SS..EExtended strand (participates in β ladder)trans179-172.2-177.400000112.7L403 E451L403-G405 WeakPolarHBondContact CD1-O 3.44Å; G405-E451 PolarHBondContact O-N 2.88Å
406S84.3Confident74.6Confident78 Ų7868.7 Ų68.755%0.54536%0.356SS..EExtended strand (participates in β ladder)trans-134.6134.3172.555.40000110.9V449S406-V449 CarbonylContact C-O 3.57Å; S406-V449 WeakPolarHBondContact CA-O 3.3Å
407K80.2Confident71.4Confident87 Ų8769.7 Ų69.738%0.37836%0.364SS..EExtended strand (participates in β ladder)trans-100.9123.7177.1-174.4178.1177.9-172.80108.5E322 V409 V449 E451E322-K407 IonicContact OE2-NZ 3.86Å; K407-V409 HydrophobicContact CG-CG2 4.42Å; K407-V409 PolarHBondContact O-N 2.86Å; K407-V449 PolarHBondContact N-O 2.79Å; K407-V449 PolarHBondContact O-N 2.86Å; K407-E451 HydrophobicContact CB-CG 4.38Å
408A74.5Confident68.9Low60 Ų6078.7 Ų78.750%0.49641%0.406SS..EExtended strand (participates in β ladder)trans-71.6121.3169.100000108.6
409V73.7Confident66Low28 Ų2885.2 Ų85.217%0.1744%0.441CS..EExtended strand (participates in β ladder)trans-109.9119.5176.3179.80000107.5K407 L447 V449K407-V409 HydrophobicContact CG-CG2 4.42Å; K407-V409 PolarHBondContact O-N 2.86Å; V409-L447 PolarHBondContact N-O 3.22Å; V409-L447 PolarHBondContact O-N 2.94Å; V409-L447 VanDerWaalsContact O-N 3.12Å; V409-V449 HydrophobicContact CB-CG2 4.14Å; V409-V449 HydrophobicContact CG2-CB 4.13Å; V409-V449 HydrophobicContact CG2-CG2 3.52Å
410Q65Low63.4Low98 Ų9893 Ų9346%0.45848%0.483SS..EExtended strand (participates in β ladder)trans-80.3117.2171.9-74.7177.7-3.300108.5R412 E446Q410-R412 PolarHBondContact O-N 2.79Å; Q410-E446 HydrophobicContact CG-CG 3.65Å; Q410-E446 PolarHBondContact NE2-OE1 3.21Å
411I59.6Low60.3Low14 Ų1495.5 Ų95.57%0.07250%0.499CS..  trans-71.6114.5171.4-61.6168.4000107.7L355 K363 E445 L447L355-I411 HydrophobicContact CD1-CD1 4.34Å; L355-I411 HydrophobicContact CD1-CG1 4.16Å; K363-I411 HydrophobicContact CB-CD1 4.12Å; I411-E445 PolarHBondContact N-O 3.15Å; I411-L447 HydrophobicContact CD1-CD1 3.48Å; I411-L447 VanDerWaalsContact CD1-CD1 3.48Å; I411-L447 HydrophobicContact CD1-CG 4.2Å
412R52.3Low57.3Low164 Ų164102.9 Ų102.962%0.61954%0.538SS*.  trans-99.1111.9169.3-67.1-170.3-177-1754.5108.9Q410 E414Q410-R412 PolarHBondContact O-N 2.79Å; R412-E414 HydrophobicContact CB-CG 4.36Å; R412-E414 WeakPolarHBondContact CD-OE1 3.39Å; R412-E414 IonicContact NH1-OE1 3.53Å; R412-E414 PolarHBondContact O-N 3.09Å
413H47.2Very low54.7Low130 Ų130104.8 Ų104.860%0.60255%0.551SS**  trans-74.268.7165.9-66.8-71.4000109.8
414E40.1Very low51.8Low107 Ų107107.4 Ų107.450%0.556%0.561SS.*  trans-92.199.8169-75.5177.8-157.900108.4R412 L416R412-E414 HydrophobicContact CB-CG 4.36Å; R412-E414 WeakPolarHBondContact CD-OE1 3.39Å; R412-E414 IonicContact NH1-OE1 3.53Å; R412-E414 PolarHBondContact O-N 3.09Å; E414-L416 PolarHBondContact O-N 3.33Å
415V37.2Very low49.8Very low120 Ų120107.4 Ų107.473%0.72756%0.562SS**  trans-75.698.3164.4-178.80000106.6A417V415-A417 PolarHBondContact O-N 3Å
416L33.4Very low47.7Very low110 Ų110113.8 Ų113.858%0.57658%0.584SS**  trans-73.1106.4178.4-70.4169.7000109.7E414E414-L416 PolarHBondContact O-N 3.33Å
417A30.7Very low45.5Very low21 Ų21118.5 Ų118.517%0.17460%0.6CS.*  trans-74.3145.1163.500000110.5V415 N419 N420 L423V415-A417 PolarHBondContact O-N 3Å; A417-N419 PolarHBondContact O-N 2.93Å; A417-N420 PolarHBondContact O-N 2.91Å; A417-L423 HydrophobicContact CB-CB 4.19Å; A417-L423 HydrophobicContact CB-CD1 3.31Å; A417-L423 HydrophobicContact CB-CG 3.38Å
418E43.1Very low43.9Very low197 Ų197117.1 Ų117.192%0.92160%0.596SS**THydrogen-bonded Turntrans-56.6-7.6-174.8-73.2-171.4148.900116
419N33.5Very low42.6Very low138 Ų138117.3 Ų117.374%0.73859%0.594SS**THydrogen-bonded Turntrans-136.540.7-175.6-75.6-39.3000114.7A417 E421A417-N419 PolarHBondContact O-N 2.93Å; N419-E421 PolarHBondContact O-N 3Å
420N40.2Very low41.5Very low166 Ų166121.9 Ų121.989%0.88862%0.617SS**SBendtrans49.78.4172.3-84.2-10.9000117.3A417A417-N420 PolarHBondContact O-N 2.91Å
421E29.2Very low40.8Very low160 Ų160121 Ų12175%0.74862%0.616SS**SBendtrans-108.8122.6175.8-71.1-170.8168.700106.6N419 L423N419-E421 PolarHBondContact O-N 3Å; E421-L423 PolarHBondContact O-N 2.91Å
422L29.1Very low40.3Very low174 Ų174122.1 Ų122.191%0.91162%0.623SS**  trans-46.3107.6175.1-73.7152.6000109.3Q424L422-Q424 PolarHBondContact O-N 2.87Å
423L34.2Very low40.3Very low131 Ų131121.9 Ų121.969%0.68663%0.629SS**  trans-56.9117169.9-85.7165.2000107.4A417 E421A417-L423 HydrophobicContact CB-CB 4.19Å; A417-L423 HydrophobicContact CB-CD1 3.31Å; A417-L423 HydrophobicContact CB-CG 3.38Å; E421-L423 PolarHBondContact O-N 2.91Å
424Q29.7Very low40.6Very low156 Ų156121.9 Ų121.973%0.72963%0.633SS**  trans-53.6135164.9-73.4175.1-1.300107.8L422 Q426L422-Q424 PolarHBondContact O-N 2.87Å; Q424-Q426 PolarHBondContact O-N 2.82Å
425P44.5Very low41.1Very low89 Ų89123.3 Ų123.358%0.57863%0.634SS**SBendtrans-72.778.7-172.230.4-34.3000109.7I428P425-I428 HydrophobicContact CB-CB 4.38Å; P425-I428 HydrophobicContact CB-CD1 3.88Å; P425-I428 HydrophobicContact CB-CG1 4.07Å
426Q39.4Very low41.4Very low161 Ų161118.9 Ų118.975%0.75261%0.613SS**SBendtrans-102.8-22.2172.3-73.4-163.8-13.700112.4Q424Q424-Q426 PolarHBondContact O-N 2.82Å
427M39.5Very low41.8Very low178 Ų178121.6 Ų121.688%0.87762%0.623SS**THydrogen-bonded Turntrans-90-0.8172.2-69.7-118.362.500113.5
428I45.5Very low42.4Very low57 Ų57126.1 Ų126.129%0.29265%0.648SS.*THydrogen-bonded Turntrans-103.39.1177.4-31-178.2000111.5P425 D431 V432P425-I428 HydrophobicContact CB-CB 4.38Å; P425-I428 HydrophobicContact CB-CD1 3.88Å; P425-I428 HydrophobicContact CB-CG1 4.07Å; I428-D431 HydrophobicContact CG2-CB 4.2Å; I428-V432 HydrophobicContact CB-CG2 4.03Å; I428-V432 HydrophobicContact CG2-CG2 3.48Å; I428-V432 VanDerWaalsContact CG2-CG2 3.48Å; I428-V432 WeakPolarHBondContact O-CB 3.35Å; I428-V432 WeakPolarHBondContact O-CG2 3.1Å; I428-V432 PolarHBondContact O-N 2.83Å
429S46.7Very low42.5Very low65 Ų65120.7 Ų120.746%0.45563%0.625SS.*Hα-helixtrans-63-48.4-176.2-170.60000111.8E433S429-E433 WeakPolarHBondContact O-CB 3.44Å; S429-E433 PolarHBondContact O-N 3.46Å
430D50.7Low42.8Very low124 Ų124118.8 Ų118.866%0.66362%0.618SS**Hα-helixtrans-71.8-36.4-176.8-64.4-6.5000111.2L434D430-L434 VanDerWaalsContact O-CB 3.28Å; D430-L434 WeakPolarHBondContact O-CB 3.38Å; D430-L434 PolarHBondContact O-N 3.15Å
431D51.3Low42.6Very low80 Ų80115.3 Ų115.343%0.42860%0.603SS.*Hα-helixtrans-75.8-35.1178.3-71-28.3000112.9I428 L434 Y435I428-D431 HydrophobicContact CG2-CB 4.2Å; D431-L434 PolarHBondContact O-N 3.01Å; D431-Y435 HydrophobicContact CB-CD2 4.11Å; D431-Y435 HydrophobicContact CB-CE2 4.49Å; D431-Y435 VanDerWaalsContact O-CB 3.31Å; D431-Y435 WeakPolarHBondContact O-CB 3.43Å; D431-Y435 VanDerWaalsContact O-CD2 3.27Å; D431-Y435 WeakPolarHBondContact O-CD2 3.22Å; D431-Y435 PolarHBondContact O-N 2.96Å
432V48.9Very low43.1Very low36 Ų36112.8 Ų112.822%0.21860%0.603CS.*Hα-helixtrans-70.6-34.6173.9170.30000110.9I428 G436 V440I428-V432 HydrophobicContact CB-CG2 4.03Å; I428-V432 HydrophobicContact CG2-CG2 3.48Å; I428-V432 VanDerWaalsContact CG2-CG2 3.48Å; I428-V432 WeakPolarHBondContact O-CB 3.35Å; I428-V432 WeakPolarHBondContact O-CG2 3.1Å; I428-V432 PolarHBondContact O-N 2.83Å; V432-G436 CarbonylContact O-C 3.23Å; V432-G436 WeakPolarHBondContact O-CA 3.28Å; V432-G436 PolarHBondContact O-N 3.45Å; V432-V440 HydrophobicContact CG2-CG2 4.32Å
433E52.7Low43.9Very low160 Ų160111.9 Ų111.975%0.74859%0.591SS**Hα-helixtrans-67.3-38.6171.3-83.2-169.3158.800112.2S429S429-E433 WeakPolarHBondContact O-CB 3.44Å; S429-E433 PolarHBondContact O-N 3.46Å
434L52.2Low44.7Very low129 Ų129110.2 Ų110.268%0.67559%0.587SS**Hα-helixtrans-80.2-38.4-176.4-160.276.3000113.5D430 D431D430-L434 VanDerWaalsContact O-CB 3.28Å; D430-L434 WeakPolarHBondContact O-CB 3.38Å; D430-L434 PolarHBondContact O-N 3.15Å; D431-L434 PolarHBondContact O-N 3.01Å
435Y51.8Low46.1Very low137 Ų137107 Ų10754%0.53757%0.572SS.*Hα-helixtrans-108.7-3.1-175-60.3-74.1000114.1D431 T438 I439D431-Y435 HydrophobicContact CB-CD2 4.11Å; D431-Y435 HydrophobicContact CB-CE2 4.49Å; D431-Y435 VanDerWaalsContact O-CB 3.31Å; D431-Y435 WeakPolarHBondContact O-CB 3.43Å; D431-Y435 VanDerWaalsContact O-CD2 3.27Å; D431-Y435 WeakPolarHBondContact O-CD2 3.22Å; D431-Y435 PolarHBondContact O-N 2.96Å; Y435-T438 PolarHBondContact O-OG1 3.42Å; Y435-I439 HydrophobicContact CD2-CD1 4.35Å; Y435-I439 HydrophobicContact CG-CD1 4.31Å
436G43Very low47.1Very low27 Ų27108.6 Ų108.628%0.27857%0.572SS.*  trans81.2166.5174.600000115.6V432 T438 I439V432-G436 CarbonylContact O-C 3.23Å; V432-G436 WeakPolarHBondContact O-CA 3.28Å; V432-G436 PolarHBondContact O-N 3.45Å; G436-T438 PolarHBondContact O-N 2.78Å; G436-I439 PolarHBondContact O-N 2.78Å
437E41.5Very low48.9Very low168 Ų168102.7 Ų102.779%0.78555%0.545SS*.G310 helixtrans-57.5-7.1178.6-69.5-176.4161.200114.6I439 V440E437-I439 PolarHBondContact O-N 3.34Å; E437-V440 PolarHBondContact O-N 2.84Å
438T44.1Very low50.8Low115 Ų11598.8 Ų98.871%0.70653%0.531SS*.G310 helixtrans-60.2-18.2173.310.10000114.4Y435 G436Y435-T438 PolarHBondContact O-OG1 3.42Å; G436-T438 PolarHBondContact O-N 2.78Å
439I46Very low52.6Low84 Ų8496.1 Ų96.143%0.43152%0.518SS..G310 helixtrans-75.1-25.4177.2-65.1175.2000112.2Y435 G436 E437Y435-I439 HydrophobicContact CD2-CD1 4.35Å; Y435-I439 HydrophobicContact CG-CD1 4.31Å; G436-I439 PolarHBondContact O-N 2.78Å; E437-I439 PolarHBondContact O-N 3.34Å
440V38.3Very low54.4Low98 Ų9895.2 Ų95.259%0.59451%0.508SS*.THydrogen-bonded Turntrans-98.7-16.7-169.7-171.90000113.5V432 E437 S442V432-V440 HydrophobicContact CG2-CG2 4.32Å; E437-V440 PolarHBondContact O-N 2.84Å; V440-S442 PolarHBondContact O-N 2.85Å
441T36.4Very low56.1Low92 Ų9292.3 Ų92.356%0.56449%0.49SS*.  trans-76.497.5171.1530000109.8K443T441-K443 PolarHBondContact O-N 2.98Å
442S40.5Very low57.9Low108 Ų10889.7 Ų89.776%0.75548%0.475SS*.  trans-61.176.1167.158.60000110.5V440 T444V440-S442 PolarHBondContact O-N 2.85Å; S442-T444 PolarHBondContact O-N 2.89Å
443K45.2Very low59.9Low154 Ų15490 Ų9067%0.6748%0.478SS*.  trans-79109.2157.7-73.5-177.3-179.7175.40105.8T441 E445T441-K443 PolarHBondContact O-N 2.98Å; K443-E445 VanDerWaalsContact C-N 3.33Å; K443-E445 PolarHBondContact O-N 3.26Å
444T50.7Low61.8Low97 Ų9783 Ų8360%0.59545%0.445SS*.  trans-62.2100.5161.824.10000107.4S442S442-T444 PolarHBondContact O-N 2.89Å
445E60.3Low63.7Low88 Ų8882.4 Ų82.441%0.41144%0.439SS..  trans-84.8126.2167.7-69.6-179.2173.600107.9I411 K443I411-E445 PolarHBondContact N-O 3.15Å; K443-E445 VanDerWaalsContact C-N 3.33Å; K443-E445 PolarHBondContact O-N 3.26Å
446E65.6Low65.6Low123 Ų12379.8 Ų79.858%0.57544%0.437SS*.EExtended strand (participates in β ladder)trans-89.2109.7170.5-77.6-178.4174.700108Q410Q410-E446 HydrophobicContact CG-CG 3.65Å; Q410-E446 PolarHBondContact NE2-OE1 3.21Å
447L76.7Confident67.8Low36 Ų3680.2 Ų80.219%0.18844%0.435CS..EExtended strand (participates in β ladder)trans-102.2146.2170.8-67.3176.8000109.3L355 V409 I411L355-L447 HydrophobicContact CB-CD1 3.78Å; L355-L447 HydrophobicContact CD2-CB 3.95Å; L355-L447 HydrophobicContact CD2-CD1 4.36Å; L355-L447 HydrophobicContact CG-CD1 4.47Å; V409-L447 PolarHBondContact N-O 3.22Å; V409-L447 PolarHBondContact O-N 2.94Å; V409-L447 VanDerWaalsContact O-N 3.12Å; I411-L447 HydrophobicContact CD1-CD1 3.48Å; I411-L447 VanDerWaalsContact CD1-CD1 3.48Å; I411-L447 HydrophobicContact CD1-CG 4.2Å
448T78.5Confident70.3Confident96 Ų9673.1 Ų73.159%0.58940%0.402SS*.EExtended strand (participates in β ladder)trans-95129.8178.849.60000110.6
449V83.7Confident72.6Confident1 Ų170 Ų701%0.00638%0.384CS..EExtended strand (participates in β ladder)trans-102.8132.7173.4177.20000108.7L355 C366 V368 S406 K407 V409L355-V449 HydrophobicContact CD2-CG2 3.53Å; C366-V449 HydrophobicContact CB-CG2 3.84Å; V368-V449 HydrophobicContact CG2-CG1 3.81Å; S406-V449 CarbonylContact C-O 3.57Å; S406-V449 WeakPolarHBondContact CA-O 3.3Å; K407-V449 PolarHBondContact N-O 2.79Å; K407-V449 PolarHBondContact O-N 2.86Å; V409-V449 HydrophobicContact CB-CG2 4.14Å; V409-V449 HydrophobicContact CG2-CB 4.13Å; V409-V449 HydrophobicContact CG2-CG2 3.52Å
450N85.4Confident74.8Confident46 Ų4666.6 Ų66.625%0.24637%0.368CS..EExtended strand (participates in β ladder)trans-78.6133.2176.9-73.7-15.7000110.7L403 Y452L403-N450 HydrophobicContact CD1-CB 3.48Å; L403-N450 VanDerWaalsContact CD1-CB 3.48Å; N450-Y452 HydrophobicContact CB-CD2 4.48Å; N450-Y452 HydrophobicContact CB-CE2 3.68Å
451E85.4Confident77.4Confident64 Ų6463.9 Ų63.930%0.29935%0.35SS..EExtended strand (participates in β ladder)trans-103.2133.5173.3-60.1-169.9158.300109.9V368 L403 T404 G405 K407V368-E451 HydrophobicContact CG1-CG 4.21Å; L403-E451 WeakPolarHBondContact CD1-O 3.47Å; T404-E451 PolarHBondContact N-O 2.9Å; T404-E451 PolarHBondContact OG1-O 2.97Å; T404-E451 VanDerWaalsContact OG1-O 3.09Å; G405-E451 PolarHBondContact O-N 2.88Å; K407-E451 HydrophobicContact CB-CG 4.38Å
452Y89.9Confident80.2Confident25 Ų2559.5 Ų59.510%0.09832%0.323CS..EExtended strand (participates in β ladder)trans-118.3133.8-179.4-62.8-86.6000111I335 T351 Y401 E402 L403 N450I335-Y452 HydrophobicContact CD1-CD1 4.37Å; I335-Y452 HydrophobicContact CD1-CD2 3.86Å; I335-Y452 HydrophobicContact CD1-CE1 4.18Å; I335-Y452 HydrophobicContact CD1-CE2 3.64Å; I335-Y452 HydrophobicContact CD1-CG 4.21Å; T351-Y452 HydrophobicContact CG2-CD2 3.88Å; T351-Y452 HydrophobicContact CG2-CG 4.43Å; Y401-Y452 AromaticContact CD2-CD1 3.84Å; Y401-Y452 HydrophobicContact CD2-CD1 3.84Å; Y401-Y452 HydrophobicContact CD2-CE1 4.16Å; Y401-Y452 HydrophobicContact CE2-CE1 4.39Å; E402-Y452 CarbonylContact O-C 3.43Å; E402-Y452 VanDerWaalsContact O-CA 3.27Å; E402-Y452 WeakPolarHBondContact O-CA 3.28Å; L403-Y452 HydrophobicContact CB-CD1 4.39Å; L403-Y452 HydrophobicContact CB-CE1 4.18Å; L403-Y452 HydrophobicContact CD1-CD1 4.41Å; L403-Y452 HydrophobicContact CD1-CE1 4Å; N450-Y452 HydrophobicContact CB-CD2 4.48Å; N450-Y452 HydrophobicContact CB-CE2 3.68Å
453S90.2Very high82.8Confident42 Ų4254.4 Ų54.429%0.29429%0.287SS..EExtended strand (participates in β ladder)trans-85.1150.1163.156.30000109.9Y401 E402 T404Y401-S453 WeakPolarHBondContact CA-O 3.46Å; E402-S453 PolarHBondContact N-O 2.92Å; E402-S453 PolarHBondContact O-N 3.05Å; E402-S453 PolarHBondContact O-OG 3.33Å; T404-S453 VanDerWaalsContact CG2-CB 3.4Å; T404-S453 VanDerWaalsContact CG2-OG 3.29Å; T404-S453 WeakPolarHBondContact CG2-OG 3.26Å
454F91.9Very high85Confident12 Ų1247.1 Ų47.15%0.05326%0.256CS..EExtended strand (participates in β ladder)trans-124.1125.6174.2-61.1-88.7000109.7V341 L349 T351 N371 L387 L399 R400 Y401V341-F454 HydrophobicContact CG1-CE1 4.19Å; V341-F454 HydrophobicContact CG1-CZ 4.05Å; V341-F454 HydrophobicContact CG2-CE1 3.98Å; V341-F454 HydrophobicContact CG2-CZ 3.78Å; L349-F454 HydrophobicContact CD1-CB 4.05Å; L349-F454 HydrophobicContact CD1-CD1 4.07Å; L349-F454 HydrophobicContact CD1-CD2 4.09Å; L349-F454 HydrophobicContact CD1-CG 3.8Å; T351-F454 HydrophobicContact CG2-CE2 3.82Å; T351-F454 HydrophobicContact CG2-CZ 3.67Å; N371-F454 HydrophobicContact CB-CB 4.47Å; N371-F454 PolarHBondContact ND2-O 2.73Å; L387-F454 HydrophobicContact CD2-CE1 4.27Å; L399-F454 HydrophobicContact CD1-CD1 4.27Å; R400-F454 WeakPolarHBondContact O-CA 3.44Å; Y401-F454 HydrophobicContact CG-CE1 4.48Å
455E92.1Very high87.2Confident118 Ų11843.3 Ų43.355%0.55123%0.233SC*.EExtended strand (participates in β ladder)trans-119.9134.9177.2-173.9-175.3178.700109.8L399 R400 V457L399-E455 CarbonylContact C-O 3.22Å; L399-E455 VanDerWaalsContact CA-O 3.24Å; L399-E455 WeakPolarHBondContact CA-O 3.27Å; R400-E455 PolarHBondContact N-O 3.33Å; R400-E455 PolarHBondContact O-N 2.94Å; E455-V457 PolarHBondContact O-N 2.68Å
456V91.7Very high88.9Confident81 Ų8139.2 Ų39.249%0.49121%0.213SC..EExtended strand (participates in β ladder)trans-78.9114.5174.5179.40000108.7V397 L399V397-V456 HydrophobicContact CB-CG1 4.26Å; V397-V456 HydrophobicContact CG1-CG1 4.16Å; L399-V456 HydrophobicContact CD2-CB 4.33Å; L399-V456 HydrophobicContact CD2-CG2 3.61Å
457V90.6Very high90.4Very high37 Ų3736.2 Ų36.222%0.22420%0.197CC..EExtended strand (participates in β ladder)trans-93.4-37.5179.5-165.60000111.6T65 F386 L398 R400 E455T65-V457 WeakPolarHBondContact O-CG1 3.25Å; F386-V457 HydrophobicContact CE1-CG2 4.32Å; L398-V457 PolarHBondContact O-N 2.97Å; R400-V457 HydrophobicContact CB-CG2 3.39Å; E455-V457 PolarHBondContact O-N 2.68Å
458D92.9Very high91.4Very high19 Ų1935.5 Ų35.510%0.10219%0.193CC..EExtended strand (participates in β ladder)trans-150.4160.2-176.5-156.53.9000112L67 V397 L398 H956L67-D458 PolarHBondContact N-OD2 3.4Å; V397-D458 WeakPolarHBondContact CA-O 3.42Å; L398-D458 HydrophobicContact CB-CB 4.15Å; L398-D458 PolarHBondContact N-O 3.15Å; L398-D458 PolarHBondContact O-N 2.83Å; D458-H956 IonicContact OD1-NE2 3.16Å; D458-H956 IonicContact OD2-CD2 3Å; D458-H956 IonicContact OD2-NE2 3.62Å
459S93Very high92.2Very high48 Ų4831.3 Ų31.334%0.33617%0.167SC..EExtended strand (participates in β ladder)trans-142.3133.6-179.475.60000113S396 H956S396-S459 CarbonylContact O-C 3.5Å; S396-S459 WeakPolarHBondContact O-CA 3.44Å; S459-H956 PolarHBondContact O-CE1 2.99Å; S459-H956 PolarHBondContact O-NE2 2.88Å
460V92.9Very high92.8Very high13 Ų1332.3 Ų32.38%0.07917%0.173CC..EExtended strand (participates in β ladder)trans-100.4125174.6-1770000109.3L67 N395 S396L67-V460 HydrophobicContact CD1-CG2 3.84Å; N395-V460 CarbonylContact C-O 3.55Å; N395-V460 VanDerWaalsContact CA-O 3.32Å; N395-V460 WeakPolarHBondContact CA-O 3.5Å; N395-V460 WeakPolarHBondContact CB-O 3.43Å; S396-V460 PolarHBondContact N-O 3.34Å; S396-V460 PolarHBondContact O-N 3.09Å
461L92.4Very high93.1Very high41 Ų4131.6 Ų31.622%0.21517%0.169CC..  trans-59.2136.7-178.3-69.5173.4000112.4D1006L461-D1006 HydrophobicContact CD1-CB 4.17Å
462N95Very high93.3Very high0 Ų028.7 Ų28.70%016%0.156CC..  trans-135.1130171.4-177.611.6000111.2T12 A13 S391 M392 G394 N395 G464 K1013T12-N462 PolarHBondContact O-OD1 2.88Å; T12-N462 WeakPolarHBondContact OG1-CA 3.34Å; T12-N462 PolarHBondContact OG1-OD1 3.08Å; A13-N462 PolarHBondContact N-OD1 3.38Å; S391-N462 PolarHBondContact O-ND2 3.31Å; M392-N462 VanDerWaalsContact C-ND2 3.34Å; M392-N462 PolarHBondContact O-ND2 3.23Å; G394-N462 WeakPolarHBondContact O-CB 3.04Å; G394-N462 PolarHBondContact O-ND2 3.33Å; N395-N462 PolarHBondContact OD1-N 3.37Å; N395-N462 VanDerWaalsContact OD1-N 3.1Å; N462-G464 PolarHBondContact OD1-N 3.42Å; N462-K1013 PolarHBondContact O-NZ 3.02Å
463F94.6Very high93Very high1 Ų132.4 Ų32.40%0.00418%0.175CC..  trans-96-9.5178.1-58.5-24.6000113.4D9 T12 T495 L504 L506 S1007 A1011D9-F463 VanDerWaalsContact OD2-CD2 3.31Å; D9-F463 WeakPolarHBondContact OD2-CD2 3.49Å; D9-F463 WeakPolarHBondContact OD2-CE2 3.06Å; T12-F463 HydrophobicContact CG2-CD2 4.24Å; T12-F463 PolarHBondContact OG1-N 3.04Å; F463-T495 WeakPolarHBondContact O-CB 3.29Å; F463-T495 VanDerWaalsContact O-CG2 3.31Å; F463-T495 WeakPolarHBondContact O-CG2 3.37Å; F463-L504 HydrophobicContact CB-CD2 3.66Å; F463-L504 HydrophobicContact CD1-CD1 3.65Å; F463-L504 HydrophobicContact CD1-CD2 3.45Å; F463-L504 VanDerWaalsContact CD1-CD2 3.45Å; F463-L504 HydrophobicContact CD1-CG 4.2Å; F463-L504 HydrophobicContact CD2-CD2 4Å; F463-L504 HydrophobicContact CE1-CD1 3.55Å; F463-L504 HydrophobicContact CE1-CD2 4.05Å; F463-L504 HydrophobicContact CE1-CG 4.46Å; F463-L504 HydrophobicContact CG-CD1 4.46Å; F463-L504 HydrophobicContact CG-CD2 3.43Å; F463-L504 VanDerWaalsContact CG-CD2 3.43Å; F463-L504 HydrophobicContact CZ-CD1 4.26Å; F463-L506 HydrophobicContact CE2-CD2 4.3Å; F463-L506 HydrophobicContact CZ-CD2 4.32Å; F463-S1007 WeakPolarHBondContact CZ-OG 3.3Å; F463-A1011 HydrophobicContact CE1-CB 4.04Å; F463-A1011 HydrophobicContact CZ-CB 3.67Å
464G91.3Very high92.6Very high1 Ų130.8 Ų30.81%0.0117%0.165CC..  trans-84.1150.8-173.900000114.5M392 L393 N462 G1341M392-G464 CarbonylContact O-C 3.57Å; L393-G464 CarbonylContact C-O 3.55Å; N462-G464 PolarHBondContact OD1-N 3.42Å; G464-G1341 VanDerWaalsContact N-CA 3.35Å
465P96.4Very high91.8Very high18 Ų1830.8 Ų30.812%0.11717%0.167CC..  cis-77.4143.8-15.531.3-33.3000111L393 R467 T495 G496 G1339L393-P465 HydrophobicContact CD2-CG 4.18Å; P465-R467 HydrophobicContact CG-CG 4.41Å; P465-R467 PolarHBondContact O-N 2.87Å; P465-T495 WeakPolarHBondContact O-CA 3.42Å; P465-G496 PolarHBondContact O-N 3.36Å; P465-G1339 WeakPolarHBondContact CA-O 3.48Å; P465-G1339 WeakPolarHBondContact CB-O 3.46Å
466I96.9Very high90.8Very high1 Ų129.6 Ų29.61%0.00516%0.164CC..EExtended strand (participates in β ladder)trans-83.7102.8168.9-60.6172.2000108C493 T495 G1338I466-C493 HydrophobicContact CG2-CB 3.96Å; I466-T495 HydrophobicContact CG1-CG2 4.2Å; I466-G1338 PolarHBondContact N-O 2.79Å
467R96.3Very high90.1Very high60 Ų6028.5 Ų28.523%0.22616%0.155CC..EExtended strand (participates in β ladder)trans-82.3-40.3-174.5-69.7172.7176.8-122.1-0.5112.9P465 A494 G496 H497 V1020 H1021P465-R467 HydrophobicContact CG-CG 4.41Å; P465-R467 PolarHBondContact O-N 2.87Å; R467-A494 HydrophobicContact CB-CB 4.42Å; R467-A494 PolarHBondContact N-O 2.82Å; R467-G496 PolarHBondContact NE-O 2.84Å; R467-H497 PolarHBondContact NH2-CD2 2.95Å; R467-V1020 WeakPolarHBondContact CD-O 3.37Å; R467-H1021 PolarHBondContact NH1-CE1 2.8Å; R467-H1021 VanDerWaalsContact NH1-CE1 3.31Å; R467-H1021 PolarHBondContact NH1-ND1 3Å
468D97.4Very high89.4Confident21 Ų2128.2 Ų28.211%0.11216%0.155CC..EExtended strand (participates in β ladder)trans-147.4156-179.5-164.421.9000110C493 A494 F1022 V1023D468-C493 CarbonylContact O-C 3.5Å; D468-C493 VanDerWaalsContact O-CA 3.3Å; D468-C493 WeakPolarHBondContact O-CA 3.32Å; D468-A494 HydrophobicContact CB-CB 4.15Å; D468-A494 PolarHBondContact O-N 2.86Å; D468-F1022 VanDerWaalsContact OD2-CA 3.31Å; D468-F1022 WeakPolarHBondContact OD2-CA 3.45Å; D468-V1023 HydrophobicContact CB-CG1 4.25Å; D468-V1023 PolarHBondContact OD2-N 2.76Å
469I96.3Very high88.4Confident9 Ų931.6 Ų31.65%0.04619%0.185CC..EExtended strand (participates in β ladder)trans-142.7128.3-173.7-173.5170.1000109.5I491 C1309 V1311 L1343I469-I491 HydrophobicContact CD1-CG2 3.59Å; I469-I491 HydrophobicContact CG1-CG2 3.68Å; I469-C1309 HydrophobicContact CG2-CB 3.82Å; I469-C1309 WeakPolarHBondContact CG2-SG 3.06Å; I469-V1311 HydrophobicContact CD1-CG1 3.72Å; I469-V1311 HydrophobicContact CG1-CB 4.37Å; I469-V1311 HydrophobicContact CG1-CG1 3.78Å; I469-V1311 HydrophobicContact CG2-CB 4.01Å; I469-V1311 HydrophobicContact CG2-CG1 4.17Å; I469-L1343 HydrophobicContact CD1-CD1 4.03Å
470T95.4Very high87.2Confident22 Ų2232 Ų3214%0.13519%0.188CC..EExtended strand (participates in β ladder)trans-129.7163.8172.7-168.40000110.1V492 V1023 Y1025 Y1032T470-V492 HydrophobicContact CG2-CB 4Å; T470-V492 PolarHBondContact N-O 2.86Å; T470-V492 PolarHBondContact O-N 3.05Å; T470-V1023 WeakPolarHBondContact CB-O 3.36Å; T470-V1023 HydrophobicContact CG2-CB 4.44Å; T470-V1023 HydrophobicContact CG2-CG1 4.07Å; T470-V1023 HydrophobicContact CG2-CG2 3.76Å; T470-Y1025 PolarHBondContact OG1-N 3.13Å; T470-Y1032 HydrophobicContact CG2-CD1 4.17Å; T470-Y1032 HydrophobicContact CG2-CE1 3.9Å
471I92.8Very high86.2Confident30 Ų3031.9 Ų31.915%0.15419%0.186CC..EExtended strand (participates in β ladder)trans-108132.6170.7-64169.1000107.1V489 D490 Y1025 V1311 L1313I471-V489 HydrophobicContact CG2-CB 3.54Å; I471-V489 HydrophobicContact CG2-CG1 3.88Å; I471-V489 HydrophobicContact CG2-CG2 3.83Å; I471-D490 WeakPolarHBondContact CA-O 3.14Å; I471-Y1025 WeakPolarHBondContact O-CB 3.29Å; I471-V1311 HydrophobicContact CD1-CB 4.44Å; I471-V1311 HydrophobicContact CD1-CG1 4.08Å; I471-V1311 HydrophobicContact CD1-CG2 3.54Å; I471-V1311 HydrophobicContact CG1-CG1 4.07Å; I471-V1311 HydrophobicContact CG1-CG2 3.67Å; I471-L1313 HydrophobicContact CD1-CB 3.87Å; I471-L1313 HydrophobicContact CD1-CD1 3.92Å; I471-L1313 HydrophobicContact CD1-CD2 4.15Å; I471-L1313 HydrophobicContact CD1-CG 4.2Å
472G89.1Confident84.7Confident3 Ų334.7 Ų34.73%0.03121%0.205CC..EExtended strand (participates in β ladder)trans-130-179.5172.500000112.7V489 D490 Y1032G472-V489 CarbonylContact O-C 3.48Å; G472-V489 WeakPolarHBondContact O-CA 3.46Å; G472-V489 WeakPolarHBondContact O-CB 3.38Å; G472-D490 PolarHBondContact N-O 3.24Å; G472-D490 PolarHBondContact O-N 3.12Å; G472-Y1032 WeakPolarHBondContact CA-OH 3.48Å
473Q84.5Confident82.9Confident103 Ų10342.5 Ų42.548%0.48125%0.247SC..EExtended strand (participates in β ladder)trans-65.5140.4179.4-178.4173.51.500110.8S475 Y1025 H1030Q473-S475 PolarHBondContact O-N 3.41Å; Q473-Y1025 HydrophobicContact CB-CE2 4.47Å; Q473-Y1025 VanDerWaalsContact CB-OH 3.3Å; Q473-Y1025 WeakPolarHBondContact CB-OH 3.38Å; Q473-Y1025 PolarHBondContact OE1-OH 3.39Å; Q473-H1030 PolarHBondContact OE1-ND1 2.83Å
474G80.4Confident81.6Confident9 Ų944.8 Ų44.89%0.09327%0.266CS..PPolyproline II helixtrans-60.6125.9176.900000112.5L477 V488 D490 R511G474-L477 WeakPolarHBondContact O-CD1 3.22Å; G474-V488 PolarHBondContact N-O 3.13Å; G474-D490 WeakPolarHBondContact CA-OD2 3.22Å; G474-R511 VanDerWaalsContact CA-NH1 3.27Å
475S75.4Confident80.8Confident12 Ų1249.3 Ų49.38%0.08429%0.289CS..THydrogen-bonded Turntrans-70151.5174.371.50000111.9Q473 L477 D490Q473-S475 PolarHBondContact O-N 3.41Å; S475-L477 VanDerWaalsContact C-N 3.29Å; S475-L477 PolarHBondContact O-N 3.44Å; S475-D490 PolarHBondContact N-OD2 3.35Å; S475-D490 PolarHBondContact OG-OD2 3.43Å
476D72.3Confident80.1Confident92 Ų9249 Ų4949%0.49229%0.286SS..THydrogen-bonded Turntrans56.230.4171.6-53.3-52.4000116.5S478 H1002D476-S478 PolarHBondContact O-N 3.44Å; D476-H1002 IonicContact OD2-CE1 3.5Å; D476-H1002 PolarHBondContact OD2-CE1 3.13Å; D476-H1002 IonicContact OD2-NE2 3.7Å; D476-H1002 PolarHBondContact OD2-NE2 2.94Å
477L76.6Confident79.3Confident58 Ų5853 Ų5330%0.30431%0.313SS..  trans-75.4118.3175.8-96.687.6000112.2G474 S475 V488 I966G474-L477 WeakPolarHBondContact O-CD1 3.22Å; S475-L477 VanDerWaalsContact C-N 3.29Å; S475-L477 PolarHBondContact O-N 3.44Å; L477-V488 HydrophobicContact CD1-CB 4.28Å; L477-V488 HydrophobicContact CD1-CG1 3.76Å; L477-V488 HydrophobicContact CD2-CB 3.81Å; L477-V488 HydrophobicContact CD2-CG1 4.1Å; L477-V488 HydrophobicContact CD2-CG2 3.98Å; L477-V488 HydrophobicContact CG-CG1 4.46Å; L477-I966 HydrophobicContact CD2-CD1 4.48Å; L477-I966 HydrophobicContact CG-CD1 4.37Å
478S75.5Confident78.7Confident32 Ų3252 Ų5222%0.22431%0.312CS..  trans-63.8143.2163.6-178.50000110.9D476 S480 Y481D476-S478 PolarHBondContact O-N 3.44Å; S478-S480 PolarHBondContact O-N 2.84Å; S478-S480 PolarHBondContact OG-N 3.16Å; S478-Y481 PolarHBondContact O-N 2.84Å
479A71.6Confident78.3Confident89 Ų8951.7 Ų51.774%0.73631%0.311SS*.G310 helixtrans-53.2-25.2172.700000113.2Y481 V482A479-Y481 PolarHBondContact O-N 2.83Å; A479-V482 WeakPolarHBondContact O-CG2 3.41Å; A479-V482 PolarHBondContact O-N 2.8Å
480S68.1Low78.1Confident58 Ų5851.2 Ų51.241%0.40631%0.309SS..G310 helixtrans-63-22.6176.3-66.10000114.1S478 R995S478-S480 PolarHBondContact O-N 2.84Å; S478-S480 PolarHBondContact OG-N 3.16Å; S480-R995 PolarHBondContact OG-NH1 3.01Å
481Y72Confident78.1Confident9 Ų950.2 Ų50.24%0.03530%0.303CS..G310 helixtrans-96.1-4.8-175.4-56-43.3000113.8S478 A479 N483 P512 I966 D967S478-Y481 PolarHBondContact O-N 2.84Å; A479-Y481 PolarHBondContact O-N 2.83Å; Y481-N483 VanDerWaalsContact C-N 3.27Å; Y481-N483 PolarHBondContact O-N 2.9Å; Y481-P512 PolarHBondContact OH-O 3.31Å; Y481-P512 VanDerWaalsContact OH-O 3.07Å; Y481-I966 HydrophobicContact CD1-CG1 4.14Å; Y481-I966 HydrophobicContact CD2-CD1 3.92Å; Y481-I966 HydrophobicContact CD2-CG1 4.21Å; Y481-I966 HydrophobicContact CE1-CG2 4.4Å; Y481-I966 HydrophobicContact CG-CD1 4.01Å; Y481-I966 HydrophobicContact CG-CG1 3.82Å; Y481-D967 HydrophobicContact CD1-CB 4.46Å; Y481-D967 HydrophobicContact CE1-CB 4.08Å
482V60.6Low78.2Confident100 Ų10048.8 Ų48.861%0.60630%0.296SS*.THydrogen-bonded Turntrans-69.9-17.3-166.8177.70000113.8A479 A484A479-V482 WeakPolarHBondContact O-CG2 3.41Å; A479-V482 PolarHBondContact O-N 2.8Å; V482-A484 PolarHBondContact O-N 3.14Å; V482-A484 VanDerWaalsContact O-N 3.08Å
483N58.2Low78.6Confident165 Ų16548.7 Ų48.788%0.88229%0.294SS*.THydrogen-bonded Turntrans-81.924.7-175.6-74.9-21.7000115.2Y481Y481-N483 VanDerWaalsContact C-N 3.27Å; Y481-N483 PolarHBondContact O-N 2.9Å
484A67.1Low79.2Confident49 Ų4943.8 Ų43.841%0.40527%0.271SS..  trans-75.5144.5178.200000112.5V482 D486V482-A484 PolarHBondContact O-N 3.14Å; V482-A484 VanDerWaalsContact O-N 3.08Å; A484-D486 WeakPolarHBondContact CB-O 3.35Å; A484-D486 PolarHBondContact O-N 3.26Å
485I74.9Confident79.9Confident96 Ų9643.3 Ų43.349%0.49227%0.267SS..SBendtrans-65.7-29.8176.6-66.5170.1000111.6V1317I485-V1317 HydrophobicContact CG2-CG2 4.22Å
486D80.8Confident80.9Confident10 Ų1042.8 Ų42.85%0.05326%0.263CS..SBendtrans-111.4144.8179.2-67.2-59.3000109.6A484 H1316 V1317 S1318A484-D486 WeakPolarHBondContact CB-O 3.35Å; A484-D486 PolarHBondContact O-N 3.26Å; D486-H1316 VanDerWaalsContact CB-CD2 3.49Å; D486-H1316 WeakPolarHBondContact CB-CD2 3.35Å; D486-H1316 IonicContact OD2-CD2 3.93Å; D486-H1316 PolarHBondContact OD2-CD2 2.69Å; D486-H1316 IonicContact OD2-CG 3.22Å; D486-H1316 IonicContact OD2-NE2 3.46Å; D486-V1317 WeakPolarHBondContact OD1-CG2 3.12Å; D486-V1317 PolarHBondContact OD2-N 3.2Å; D486-S1318 WeakPolarHBondContact OD2-CB 3.47Å; D486-S1318 PolarHBondContact OD2-N 2.74Å
487P79.8Confident81.9Confident87 Ų8740.5 Ų40.557%0.56525%0.249SC*.  trans-68137.8176.729.1-34.1000110.5V489P487-V489 HydrophobicContact CB-CG1 4.28Å
488V84.5Confident82.7Confident37 Ų3738.6 Ų38.622%0.22424%0.244CC..  trans-86.1122.9171.7-175.20000108.6G474 L477 I966G474-V488 PolarHBondContact N-O 3.13Å; L477-V488 HydrophobicContact CD1-CB 4.28Å; L477-V488 HydrophobicContact CD1-CG1 3.76Å; L477-V488 HydrophobicContact CD2-CB 3.81Å; L477-V488 HydrophobicContact CD2-CG1 4.1Å; L477-V488 HydrophobicContact CD2-CG2 3.98Å; L477-V488 HydrophobicContact CG-CG1 4.46Å; V488-I966 HydrophobicContact CG1-CD1 4.5Å
489V89.2Confident83.4Confident15 Ų1540.3 Ų40.39%0.09125%0.247CC..EExtended strand (participates in β ladder)trans-134.1156.5-171.7-62.70000110.7I471 G472 P487 R511 L1313 H1440 F1441I471-V489 HydrophobicContact CG2-CB 3.54Å; I471-V489 HydrophobicContact CG2-CG1 3.88Å; I471-V489 HydrophobicContact CG2-CG2 3.83Å; G472-V489 CarbonylContact O-C 3.48Å; G472-V489 WeakPolarHBondContact O-CA 3.46Å; G472-V489 WeakPolarHBondContact O-CB 3.38Å; P487-V489 HydrophobicContact CB-CG1 4.28Å; V489-R511 PolarHBondContact O-NH2 3.29Å; V489-L1313 HydrophobicContact CG2-CD2 3.82Å; V489-H1440 HydrophobicContact CG2-CB 4.34Å; V489-F1441 VanDerWaalsContact O-CA 3.23Å; V489-F1441 WeakPolarHBondContact O-CA 3.49Å; V489-F1441 WeakPolarHBondContact O-CB 3.46Å
490D91.9Very high84.5Confident0 Ų037.2 Ų37.20%022%0.218CC..EExtended strand (participates in β ladder)trans-109.8144.2170.5-69-21.3000110.2I471 G472 G474 S475 V505 R511I471-D490 WeakPolarHBondContact CA-O 3.14Å; G472-D490 PolarHBondContact N-O 3.24Å; G472-D490 PolarHBondContact O-N 3.12Å; G474-D490 WeakPolarHBondContact CA-OD2 3.22Å; S475-D490 PolarHBondContact N-OD2 3.35Å; S475-D490 PolarHBondContact OG-OD2 3.43Å; D490-V505 HydrophobicContact CB-CG1 3.99Å; D490-R511 IonicContact OD1-CZ 3.66Å; D490-R511 IonicContact OD1-NH1 3.86Å; D490-R511 PolarHBondContact OD1-NH1 3.27Å; D490-R511 IonicContact OD1-NH2 3.88Å; D490-R511 PolarHBondContact OD1-NH2 3.46Å; D490-R511 IonicContact OD2-NH1 3.51Å
491I94.1Very high85.8Confident1 Ų134.4 Ų34.41%0.00520%0.199CC..EExtended strand (participates in β ladder)trans-88.5122.2166.1-67.8-168.1000107.6I469 V505 L506 Y1335 L1343 F1441I469-I491 HydrophobicContact CD1-CG2 3.59Å; I469-I491 HydrophobicContact CG1-CG2 3.68Å; I491-V505 WeakPolarHBondContact O-CA 3.1Å; I491-L506 HydrophobicContact CB-CB 4.31Å; I491-L506 PolarHBondContact N-O 2.84Å; I491-L506 VanDerWaalsContact N-O 3.17Å; I491-L506 PolarHBondContact O-N 3.27Å; I491-Y1335 HydrophobicContact CD1-CD1 4.09Å; I491-Y1335 HydrophobicContact CD1-CD2 4.1Å; I491-Y1335 HydrophobicContact CD1-CG 3.85Å; I491-L1343 HydrophobicContact CD1-CD2 4.49Å; I491-F1441 HydrophobicContact CB-CD2 4.39Å; I491-F1441 HydrophobicContact CB-CE2 4.5Å; I491-F1441 HydrophobicContact CD1-CD1 3.68Å; I491-F1441 HydrophobicContact CD1-CD2 4.19Å; I491-F1441 HydrophobicContact CD1-CE1 3.23Å; I491-F1441 HydrophobicContact CD1-CE2 3.8Å; I491-F1441 HydrophobicContact CD1-CG 4.19Å; I491-F1441 HydrophobicContact CD1-CZ 3.33Å; I491-F1441 HydrophobicContact CG1-CD1 3.79Å; I491-F1441 HydrophobicContact CG1-CD2 4.07Å; I491-F1441 HydrophobicContact CG1-CE1 3.89Å; I491-F1441 HydrophobicContact CG1-CE2 4.16Å; I491-F1441 HydrophobicContact CG1-CG 3.94Å; I491-F1441 HydrophobicContact CG1-CZ 4.11Å
492V95.7Very high86.9Confident0 Ų034 Ų340%020%0.197CC..EExtended strand (participates in β ladder)trans-113.6125.2175.2-177.50000109.3T470 L503 L504 V505 V1023 Y1032 W1083T470-V492 HydrophobicContact CG2-CB 4Å; T470-V492 PolarHBondContact N-O 2.86Å; T470-V492 PolarHBondContact O-N 3.05Å; V492-L503 HydrophobicContact CG1-CD2 4.37Å; V492-L504 CarbonylContact C-O 3.55Å; V492-L504 WeakPolarHBondContact CA-O 2.97Å; V492-V505 HydrophobicContact CG2-CG1 4.34Å; V492-V505 HydrophobicContact CG2-CG2 4.34Å; V492-V1023 HydrophobicContact CG1-CG2 4.04Å; V492-Y1032 HydrophobicContact CB-CE1 4.02Å; V492-Y1032 HydrophobicContact CG1-CE1 4.32Å; V492-Y1032 HydrophobicContact CG2-CE1 3.82Å; V492-Y1032 HydrophobicContact CG2-CE2 4.35Å; V492-Y1032 WeakPolarHBondContact CG2-OH 3.24Å; V492-W1083 HydrophobicContact CG1-CZ3 4.38Å; V492-W1083 HydrophobicContact CG2-CH2 3.87Å; V492-W1083 HydrophobicContact CG2-CZ3 4.34Å
493C96.5Very high88.6Confident0 Ų029.2 Ų29.20%017%0.168CC..EExtended strand (participates in β ladder)trans-117.4139.3-176-65.80000110.9I466 D468 T495 L503 L504I466-C493 HydrophobicContact CG2-CB 3.96Å; D468-C493 CarbonylContact O-C 3.5Å; D468-C493 VanDerWaalsContact O-CA 3.3Å; D468-C493 WeakPolarHBondContact O-CA 3.32Å; C493-T495 HydrophobicContact CB-CG2 3.78Å; C493-L503 WeakPolarHBondContact O-CA 3.48Å; C493-L504 HydrophobicContact CB-CB 4.19Å; C493-L504 PolarHBondContact N-O 3.45Å; C493-L504 PolarHBondContact O-N 2.81Å
494A97.5Very high90.4Very high0 Ų021.4 Ų21.40%013%0.126CC..EExtended strand (participates in β ladder)trans-82118.1163.600000109R467 D468 V1020 V1023R467-A494 HydrophobicContact CB-CB 4.42Å; R467-A494 PolarHBondContact N-O 2.82Å; D468-A494 HydrophobicContact CB-CB 4.15Å; D468-A494 PolarHBondContact O-N 2.86Å; A494-V1020 HydrophobicContact CB-CB 3.94Å; A494-V1020 HydrophobicContact CB-CG1 3.63Å; A494-V1023 HydrophobicContact CB-CG1 4.13Å
495T96.4Very high91.7Very high0 Ų019 Ų190%011%0.107CC..EExtended strand (participates in β ladder)trans-130.4156.7-171.568.80000113.4F463 P465 I466 C493 G501 A502 L504F463-T495 WeakPolarHBondContact O-CB 3.29Å; F463-T495 VanDerWaalsContact O-CG2 3.31Å; F463-T495 WeakPolarHBondContact O-CG2 3.37Å; P465-T495 WeakPolarHBondContact O-CA 3.42Å; I466-T495 HydrophobicContact CG1-CG2 4.2Å; C493-T495 HydrophobicContact CB-CG2 3.78Å; T495-G501 WeakPolarHBondContact O-CA 3.17Å; T495-A502 PolarHBondContact N-O 3.39Å; T495-A502 PolarHBondContact O-N 2.87Å; T495-A502 VanDerWaalsContact O-O 3.09Å; T495-A502 PolarHBondContact OG1-O 3.35Å; T495-L504 HydrophobicContact CG2-CB 3.58Å; T495-L504 HydrophobicContact CG2-CD2 3.95Å; T495-L504 HydrophobicContact CG2-CG 4.44Å
496G94.7Very high92.6Very high1 Ų114.5 Ų14.51%0.018%0.084CC..  trans78.9-168.1174.700000114.7L393 P465 R467L393-G496 VanDerWaalsContact O-CA 3.29Å; L393-G496 WeakPolarHBondContact O-CA 3.43Å; P465-G496 PolarHBondContact O-N 3.36Å; R467-G496 PolarHBondContact NE-O 2.84Å
497H94.5Very high93.1Very high43 Ų4314.1 Ų14.120%0.1998%0.082CC..  trans-149.9137.5-179.5179.9-68.9000111.6L393 R467 K499 N500L393-H497 HydrophobicContact CB-CB 4.1Å; L393-H497 HydrophobicContact CD1-CB 4.09Å; L393-H497 HydrophobicContact CD2-CB 4.3Å; L393-H497 HydrophobicContact CG-CB 4.4Å; L393-H497 PolarHBondContact O-N 2.95Å; R467-H497 PolarHBondContact NH2-CD2 2.95Å; H497-K499 PolarHBondContact O-N 2.83Å; H497-N500 PolarHBondContact O-N 3.44Å
498G92.8Very high93.4Very high18 Ų1811.1 Ų11.119%0.1866%0.059CC..G310 helixtrans55.6-125.9174.200000111.6N500 G501 K1017 C1018 T1019G498-N500 PolarHBondContact O-N 3.02Å; G498-G501 PolarHBondContact O-N 2.66Å; G498-K1017 CarbonylContact O-C 3.54Å; G498-C1018 CarbonylContact O-C 3.54Å; G498-C1018 VanDerWaalsContact O-C 3.31Å; G498-C1018 WeakPolarHBondContact O-CA 3.45Å; G498-C1018 PolarHBondContact O-N 2.86Å; G498-T1019 WeakPolarHBondContact CA-OG1 3.02Å; G498-T1019 PolarHBondContact N-OG1 2.92Å
499K91.6Very high93.5Very high68 Ų689.9 Ų9.930%0.2965%0.052SC..G310 helixtrans-59.1-19.617974.4-177.3-168.1-177.50114.7S346 G347 S372 S373 H497S346-K499 WeakPolarHBondContact O-CD 3.43Å; S346-K499 WeakPolarHBondContact O-CE 3.45Å; S346-K499 PolarHBondContact O-NZ 2.77Å; G347-K499 VanDerWaalsContact CA-NZ 3.32Å; G347-K499 PolarHBondContact O-NZ 3.21Å; S372-K499 PolarHBondContact OG-NZ 2.92Å; S373-K499 WeakPolarHBondContact O-CE 3.08Å; S373-K499 PolarHBondContact O-NZ 3.28Å; H497-K499 PolarHBondContact O-N 2.83Å
500N93.6Very high93.6Very high24 Ų249.1 Ų9.113%0.1285%0.048CC..G310 helixtrans-98.93177.7-60.1-31.5000113.5V374 I375 L393 H497 G498V374-N500 WeakPolarHBondContact CG1-ND2 3.34Å; I375-N500 PolarHBondContact N-ND2 3.22Å; L393-N500 WeakPolarHBondContact O-CB 3.4Å; H497-N500 PolarHBondContact O-N 3.44Å; G498-N500 PolarHBondContact O-N 3.02Å
501G95.1Very high93.5Very high0 Ų09.5 Ų9.50%05%0.049CC..  trans-69.5138.2-179.400000112.1T495 G498 L1016 K1017 C1018T495-G501 WeakPolarHBondContact O-CA 3.17Å; G498-G501 PolarHBondContact O-N 2.66Å; G501-L1016 PolarHBondContact O-N 2.69Å; G501-K1017 PolarHBondContact O-N 2.8Å; G501-K1017 VanDerWaalsContact O-N 3.14Å; G501-C1018 WeakPolarHBondContact CA-O 3.39Å
502A96.1Very high93.4Very high0 Ų09.6 Ų9.60%05%0.049CC..EExtended strand (participates in β ladder)trans-154155.9-169.500000111.3T495 K1013 V1014T495-A502 PolarHBondContact N-O 3.39Å; T495-A502 PolarHBondContact O-N 2.87Å; T495-A502 VanDerWaalsContact O-O 3.09Å; T495-A502 PolarHBondContact OG1-O 3.35Å; A502-K1013 HydrophobicContact CB-CD 4.45Å; A502-K1013 HydrophobicContact CB-CG 3.88Å; A502-V1014 CarbonylContact C-O 3.18Å; A502-V1014 WeakPolarHBondContact CA-O 3.21Å; A502-V1014 VanDerWaalsContact CB-O 3.26Å; A502-V1014 WeakPolarHBondContact CB-O 3.39Å
503L96.3Very high93.1Very high0 Ų013.8 Ų13.80%07%0.069CC..EExtended strand (participates in β ladder)trans-88137.4159.8-68.6178.7000109.6V492 C493 K1013 V1014 L1016 V1020 V1023 L1034 F1078V492-L503 HydrophobicContact CG1-CD2 4.37Å; C493-L503 WeakPolarHBondContact O-CA 3.48Å; L503-K1013 CarbonylContact O-C 3.58Å; L503-K1013 WeakPolarHBondContact O-CA 3.17Å; L503-V1014 HydrophobicContact CB-CB 4.28Å; L503-V1014 PolarHBondContact N-O 2.98Å; L503-V1014 PolarHBondContact O-N 3.03Å; L503-L1016 HydrophobicContact CD1-CD1 4.43Å; L503-L1016 HydrophobicContact CG-CD1 4.04Å; L503-V1020 HydrophobicContact CD2-CG1 4.18Å; L503-V1023 HydrophobicContact CD2-CB 4.42Å; L503-V1023 HydrophobicContact CD2-CG2 4.24Å; L503-L1034 HydrophobicContact CD1-CD1 3.69Å; L503-L1034 HydrophobicContact CD1-CD2 4.15Å; L503-L1034 HydrophobicContact CD1-CG 4.5Å; L503-L1034 HydrophobicContact CD2-CD1 4.14Å; L503-L1034 HydrophobicContact CD2-CD2 3.92Å; L503-L1034 HydrophobicContact CG-CD1 4.09Å; L503-F1078 HydrophobicContact CD1-CD1 4.25Å; L503-F1078 HydrophobicContact CD1-CE1 4.47Å
504L95.5Very high92.9Very high0 Ų015.2 Ų15.20%08%0.077CC..EExtended strand (participates in β ladder)trans-116.6119.7175.9175.770.5000108.8F463 V492 C493 T495 L506 A1011 K1013F463-L504 HydrophobicContact CB-CD2 3.66Å; F463-L504 HydrophobicContact CD1-CD1 3.65Å; F463-L504 HydrophobicContact CD1-CD2 3.45Å; F463-L504 VanDerWaalsContact CD1-CD2 3.45Å; F463-L504 HydrophobicContact CD1-CG 4.2Å; F463-L504 HydrophobicContact CD2-CD2 4Å; F463-L504 HydrophobicContact CE1-CD1 3.55Å; F463-L504 HydrophobicContact CE1-CD2 4.05Å; F463-L504 HydrophobicContact CE1-CG 4.46Å; F463-L504 HydrophobicContact CG-CD1 4.46Å; F463-L504 HydrophobicContact CG-CD2 3.43Å; F463-L504 VanDerWaalsContact CG-CD2 3.43Å; F463-L504 HydrophobicContact CZ-CD1 4.26Å; V492-L504 CarbonylContact C-O 3.55Å; V492-L504 WeakPolarHBondContact CA-O 2.97Å; C493-L504 HydrophobicContact CB-CB 4.19Å; C493-L504 PolarHBondContact N-O 3.45Å; C493-L504 PolarHBondContact O-N 2.81Å; T495-L504 HydrophobicContact CG2-CB 3.58Å; T495-L504 HydrophobicContact CG2-CD2 3.95Å; T495-L504 HydrophobicContact CG2-CG 4.44Å; L504-L506 HydrophobicContact CD1-CD2 3.94Å; L504-L506 HydrophobicContact CD2-CD1 3.98Å; L504-L506 HydrophobicContact CD2-CD2 3.91Å; L504-L506 HydrophobicContact CD2-CG 3.98Å; L504-L506 HydrophobicContact CG-CD1 4.44Å; L504-L506 HydrophobicContact CG-CD2 3.82Å; L504-L506 HydrophobicContact CG-CG 3.9Å; L504-A1011 HydrophobicContact CD1-CB 4.06Å; L504-K1013 HydrophobicContact CD1-CB 4.27Å
505V94.7Very high92.5Very high0 Ų018.7 Ų18.70%010%0.095CC..EExtended strand (participates in β ladder)trans-102.4119.9175.8-171.20000107.6D490 I491 V492 F1003 A1011 H1012 W1083D490-V505 HydrophobicContact CB-CG1 3.99Å; I491-V505 WeakPolarHBondContact O-CA 3.1Å; V492-V505 HydrophobicContact CG2-CG1 4.34Å; V492-V505 HydrophobicContact CG2-CG2 4.34Å; V505-F1003 HydrophobicContact CG1-CE1 4.5Å; V505-F1003 HydrophobicContact CG1-CZ 4.2Å; V505-A1011 WeakPolarHBondContact O-CA 3.5Å; V505-H1012 HydrophobicContact CB-CB 4.21Å; V505-H1012 PolarHBondContact N-O 3.03Å; V505-H1012 PolarHBondContact O-N 2.94Å; V505-W1083 HydrophobicContact CB-CH2 4.24Å; V505-W1083 HydrophobicContact CB-CZ2 4.29Å; V505-W1083 HydrophobicContact CG1-CH2 4.02Å; V505-W1083 HydrophobicContact CG1-CZ2 3.91Å; V505-W1083 HydrophobicContact CG2-CD2 4.16Å; V505-W1083 HydrophobicContact CG2-CE3 3.91Å; V505-W1083 HydrophobicContact CG2-CH2 3.19Å; V505-W1083 HydrophobicContact CG2-CZ2 3.46Å; V505-W1083 VanDerWaalsContact CG2-CZ2 3.46Å; V505-W1083 HydrophobicContact CG2-CZ3 3.43Å; V505-W1083 VanDerWaalsContact CG2-CZ3 3.43Å
506L93.8Very high92.3Very high1 Ų121.9 Ų21.91%0.00511%0.114CC..EExtended strand (participates in β ladder)trans-113.6132.8-178.5-63.4177.8000110.3F463 I491 L504 C1009 A1011 L1343 F1441F463-L506 HydrophobicContact CE2-CD2 4.3Å; F463-L506 HydrophobicContact CZ-CD2 4.32Å; I491-L506 HydrophobicContact CB-CB 4.31Å; I491-L506 PolarHBondContact N-O 2.84Å; I491-L506 VanDerWaalsContact N-O 3.17Å; I491-L506 PolarHBondContact O-N 3.27Å; L504-L506 HydrophobicContact CD1-CD2 3.94Å; L504-L506 HydrophobicContact CD2-CD1 3.98Å; L504-L506 HydrophobicContact CD2-CD2 3.91Å; L504-L506 HydrophobicContact CD2-CG 3.98Å; L504-L506 HydrophobicContact CG-CD1 4.44Å; L504-L506 HydrophobicContact CG-CD2 3.82Å; L504-L506 HydrophobicContact CG-CG 3.9Å; L506-C1009 HydrophobicContact CD2-CB 4.48Å; L506-A1011 HydrophobicContact CD2-CB 3.68Å; L506-L1343 HydrophobicContact CD1-CD2 3.84Å; L506-F1441 HydrophobicContact CB-CD2 4.45Å; L506-F1441 HydrophobicContact CB-CE2 4.37Å; L506-F1441 WeakPolarHBondContact O-CD2 3.16Å
507Q91.1Very high92.1Very high2 Ų224 Ų241%0.00913%0.129CC..  trans-110.5150.7166.6-65178.5-9.400108.4F1003 C1009 P1010 F1441Q507-F1003 VanDerWaalsContact CD-CZ 3.42Å; Q507-F1003 HydrophobicContact CG-CE1 3.8Å; Q507-F1003 HydrophobicContact CG-CZ 3.93Å; Q507-C1009 WeakPolarHBondContact O-CB 3.35Å; Q507-P1010 HydrophobicContact CB-CB 4.25Å; Q507-P1010 PolarHBondContact N-O 3.2Å; Q507-P1010 WeakPolarHBondContact O-CD 3.39Å; Q507-F1441 VanDerWaalsContact C-CD2 3.42Å; Q507-F1441 VanDerWaalsContact CA-OXT 3.22Å; Q507-F1441 WeakPolarHBondContact CA-OXT 3.48Å; Q507-F1441 WeakPolarHBondContact CB-OXT 3.13Å
508R85.1Confident91.9Very high24 Ų2424.7 Ų24.79%0.09114%0.136CC..SBendtrans-102.6-24.6176175.969.4-172.497.2-9.7110.6P963 F1441R508-P963 VanDerWaalsContact O-CD 3.22Å; R508-P963 WeakPolarHBondContact O-CD 3.39Å; R508-P963 WeakPolarHBondContact O-CG 3.36Å; R508-F1441 CarbonylContact C-O 3.48Å; R508-F1441 VanDerWaalsContact C-O 3.22Å; R508-F1441 WeakPolarHBondContact CA-O 3.49Å; R508-F1441 HydrophobicContact CB-CB 4.38Å; R508-F1441 HydrophobicContact CB-CD1 4.13Å; R508-F1441 HydrophobicContact CB-CD2 3.49Å; R508-F1441 VanDerWaalsContact CB-CD2 3.49Å; R508-F1441 HydrophobicContact CB-CE1 4.25Å; R508-F1441 HydrophobicContact CB-CE2 3.64Å; R508-F1441 HydrophobicContact CB-CG 3.71Å; R508-F1441 HydrophobicContact CB-CZ 4Å; R508-F1441 WeakPolarHBondContact CB-O 3.16Å; R508-F1441 PolarHBondContact N-O 3.46Å; R508-F1441 PolarHBondContact N-OXT 3.03Å
509S87Confident91.9Very high10 Ų1029.3 Ų29.37%0.0716%0.156CC..SBendtrans-122141.7175.459.10000111.6P963 F1441S509-P963 CarbonylContact C-O 3.53Å; S509-P963 WeakPolarHBondContact CA-O 3.37Å; S509-F1441 PolarHBondContact N-O 2.75Å; S509-F1441 PolarHBondContact OG-O 3.11Å
510V91.1Very high91.8Very high0 Ų027 Ų270%015%0.147CC..  trans-68.1132.4175-177.90000109.1P512 W950 H962 P963 M964 L999 Y1005 P1010V510-P512 WeakPolarHBondContact O-CD 3.5Å; V510-W950 HydrophobicContact CG2-CB 4.49Å; V510-W950 HydrophobicContact CG2-CG 4.24Å; V510-H962 HydrophobicContact CG2-CB 3.48Å; V510-H962 VanDerWaalsContact CG2-CB 3.48Å; V510-P963 PolarHBondContact N-O 3.07Å; V510-M964 HydrophobicContact CB-CB 4.47Å; V510-L999 HydrophobicContact CG1-CD2 3.58Å; V510-Y1005 HydrophobicContact CB-CE1 4.49Å; V510-Y1005 HydrophobicContact CG1-CE1 3.99Å; V510-Y1005 HydrophobicContact CG2-CD1 4.29Å; V510-Y1005 HydrophobicContact CG2-CE1 3.93Å; V510-P1010 HydrophobicContact CG2-CG 4.2Å
511R89.8Confident91.6Very high8 Ų829.8 Ų29.83%0.0317%0.166CC..  trans-114.997.1176.4-57.1-178.6-165.7157.57.1109.6G474 V489 D490 Q513 I966 P1000 F1441G474-R511 VanDerWaalsContact CA-NH1 3.27Å; V489-R511 PolarHBondContact O-NH2 3.29Å; D490-R511 IonicContact OD1-CZ 3.66Å; D490-R511 IonicContact OD1-NH1 3.86Å; D490-R511 PolarHBondContact OD1-NH1 3.27Å; D490-R511 IonicContact OD1-NH2 3.88Å; D490-R511 PolarHBondContact OD1-NH2 3.46Å; D490-R511 IonicContact OD2-NH1 3.51Å; R511-Q513 PolarHBondContact O-N 2.95Å; R511-I966 HydrophobicContact CB-CD1 4.37Å; R511-I966 HydrophobicContact CG-CD1 3.89Å; R511-P1000 WeakPolarHBondContact O-CD 3.35Å; R511-P1000 WeakPolarHBondContact O-CG 3.46Å; R511-F1441 PolarHBondContact NH2-OXT 2.81Å
512P91.8Very high91.1Very high2 Ų233.4 Ų33.41%0.01319%0.191CC..  trans-59131.7176.1-27.437.1000112.1Y481 V510 L514 M964 F985 Y987 C997Y481-P512 PolarHBondContact OH-O 3.31Å; Y481-P512 VanDerWaalsContact OH-O 3.07Å; V510-P512 WeakPolarHBondContact O-CD 3.5Å; P512-L514 PolarHBondContact O-N 3.35Å; P512-M964 HydrophobicContact CG-CG 4.23Å; P512-M964 HydrophobicContact CG-SD 3.55Å; P512-M964 VanDerWaalsContact CG-SD 3.55Å; P512-F985 HydrophobicContact CB-CE2 4.12Å; P512-F985 HydrophobicContact CB-CZ 3.65Å; P512-F985 HydrophobicContact CG-CE2 4.17Å; P512-F985 HydrophobicContact CG-CZ 3.85Å; P512-Y987 HydrophobicContact CG-CE1 4.47Å; P512-C997 HydrophobicContact CB-CB 3.72Å
513Q91.1Very high90.7Very high88 Ų8833.5 Ų33.541%0.41119%0.193SC..EExtended strand (participates in β ladder)trans-70.2111.4168.4-176.2177.7-3.100108.4R511 C997 Q998R511-Q513 PolarHBondContact O-N 2.95Å; Q513-C997 WeakPolarHBondContact O-CA 3.31Å; Q513-C997 VanDerWaalsContact O-CB 3.32Å; Q513-C997 WeakPolarHBondContact O-CB 3.41Å; Q513-Q998 PolarHBondContact N-O 3.12Å; Q513-Q998 PolarHBondContact O-N 3.35Å
514L90.8Very high90.1Very high31 Ų3139 Ų3916%0.16221%0.213CC..EExtended strand (participates in β ladder)trans-81.8119-178.1-179.362.4000110.6P512 T516 R995P512-L514 PolarHBondContact O-N 3.35Å; L514-T516 WeakPolarHBondContact CD1-O 3.29Å; L514-R995 HydrophobicContact CD1-CB 3.97Å; L514-R995 HydrophobicContact CD1-CG 4.38Å
515L90.7Very high89.9Confident73 Ų7339.9 Ų39.938%0.38222%0.217SC..EExtended strand (participates in β ladder)trans-90.9-50.1176.7-59.9177.1000111.4C981 I996 Q998L515-C981 HydrophobicContact CD1-CB 3.65Å; L515-C981 WeakPolarHBondContact CD1-SG 3.49Å; L515-I996 WeakPolarHBondContact CB-O 3.44Å; L515-I996 PolarHBondContact N-O 3.13Å; L515-Q998 HydrophobicContact CD1-CG 4.24Å
516T90.3Very high89.8Confident66 Ų6639.9 Ų39.941%0.40522%0.217SC..EExtended strand (participates in β ladder)trans-148.9155.6177.5-171.10000111.6L514 I996L514-T516 WeakPolarHBondContact CD1-O 3.29Å; T516-I996 HydrophobicContact CG2-CB 3.76Å; T516-I996 HydrophobicContact CG2-CD1 3.5Å; T516-I996 VanDerWaalsContact CG2-CD1 3.5Å; T516-I996 HydrophobicContact CG2-CG1 3.59Å; T516-I996 PolarHBondContact N-O 3.27Å; T516-I996 PolarHBondContact O-N 3.31Å
517S90.5Very high89.9Confident46 Ų4641.1 Ų41.132%0.32222%0.222SC..EExtended strand (participates in β ladder)trans-138131.5178.1-170.40000111.4M994 R995S517-M994 CarbonylContact C-O 3.58Å; S517-M994 WeakPolarHBondContact CA-O 3.49Å; S517-M994 PolarHBondContact OG-O 3.47Å; S517-R995 WeakPolarHBondContact OG-CD 3.42Å; S517-R995 PolarHBondContact OG-NH1 2.85Å
518T91.3Very high90Very high58 Ų5842 Ų4236%0.35623%0.227SC..EExtended strand (participates in β ladder)trans-132.3138.9179610000110.4C993 M994T518-C993 CarbonylContact O-C 3.54Å; T518-C993 WeakPolarHBondContact O-CA 3.48Å; T518-M994 PolarHBondContact N-O 2.84Å; T518-M994 WeakPolarHBondContact O-CB 3.47Å; T518-M994 PolarHBondContact O-N 2.91Å; T518-M994 WeakPolarHBondContact OG1-CB 3.15Å; T518-M994 WeakPolarHBondContact OG1-CE 3.09Å
519L92.2Very high90.3Very high115 Ų11540.9 Ų40.960%0.60222%0.223SC*.EExtended strand (participates in β ladder)trans-84.3119177.5-17968.1000109.5D991L519-D991 VanDerWaalsContact CD1-O 3.28Å; L519-D991 WeakPolarHBondContact CD1-O 3.32Å
520I90.7Very high90.1Very high18 Ų1840.6 Ų40.69%0.09222%0.222CC..  trans-125.395.6174.6-53.6177.9000108A523 I555 M562 F988 S992 M994I520-A523 HydrophobicContact CG2-CB 4.36Å; I520-A523 PolarHBondContact O-N 2.91Å; I520-I555 HydrophobicContact CD1-CD1 3.53Å; I520-M562 HydrophobicContact CG2-SD 4.27Å; I520-F988 HydrophobicContact CB-CE1 3.99Å; I520-F988 HydrophobicContact CB-CZ 4.47Å; I520-F988 HydrophobicContact CD1-CE1 4.39Å; I520-F988 HydrophobicContact CD1-CZ 4.17Å; I520-F988 HydrophobicContact CG1-CE1 4.48Å; I520-S992 CarbonylContact C-O 3.56Å; I520-S992 PolarHBondContact N-O 3.23Å; I520-M994 HydrophobicContact CD1-CB 4.29Å; I520-M994 HydrophobicContact CD1-SD 3.83Å
521P87.6Confident89.6Confident83 Ų8341.8 Ų41.854%0.53923%0.23SC..THydrogen-bonded Turntrans-56.5145.4-178.2-24.834.2000112.3A523P521-A523 PolarHBondContact O-N 3.3Å; P521-A523 VanDerWaalsContact O-N 3.1Å
522S85.2Confident88.8Confident76 Ų7643.6 Ų43.653%0.53124%0.239SC..THydrogen-bonded Turntrans60.516.4174.9-51.80000115.8W524 K557S522-W524 PolarHBondContact O-N 2.89Å; S522-K557 WeakPolarHBondContact O-CA 3.15Å
523A87.8Confident87.6Confident3 Ų347 Ų473%0.02526%0.256CS..  trans-64125.8170.900000111I520 P521 I555 F988I520-A523 HydrophobicContact CG2-CB 4.36Å; I520-A523 PolarHBondContact O-N 2.91Å; P521-A523 PolarHBondContact O-N 3.3Å; P521-A523 VanDerWaalsContact O-N 3.1Å; A523-I555 HydrophobicContact CB-CG2 3.78Å; A523-F988 HydrophobicContact CB-CD1 3.71Å; A523-F988 HydrophobicContact CB-CE1 3.51Å; A523-F988 HydrophobicContact CB-CE2 4.39Å; A523-F988 HydrophobicContact CB-CG 4.24Å; A523-F988 HydrophobicContact CB-CZ 3.87Å
524W84.8Confident86Confident115 Ų11548 Ų4844%0.43627%0.269SS..  trans-107.9-45.4-177.2-172.5-105.2000112S522 S556 N924 C972S522-W524 PolarHBondContact O-N 2.89Å; W524-S556 WeakPolarHBondContact CA-O 3.43Å; W524-S556 WeakPolarHBondContact CB-O 3.32Å; W524-S556 PolarHBondContact N-O 3.21Å; W524-N924 HydrophobicContact CH2-CB 4.38Å; W524-N924 WeakPolarHBondContact CH2-O 3.18Å; W524-N924 VanDerWaalsContact CZ2-O 3.23Å; W524-N924 WeakPolarHBondContact CZ2-O 3.45Å; W524-C972 PolarHBondContact O-SG 2.92Å
525R90.5Very high83.9Confident18 Ų1850 Ų507%0.06829%0.285CS..EExtended strand (participates in β ladder)trans-140.7159178.8-69.7-62.3-172.593.522112W527 I555 S556 S926 K927R525-W527 HydrophobicContact CB-CE3 4.36Å; R525-W527 HydrophobicContact CB-CH2 3.19Å; R525-W527 HydrophobicContact CB-CZ2 3.61Å; R525-W527 HydrophobicContact CB-CZ3 3.62Å; R525-W527 HydrophobicContact CG-CH2 3.83Å; R525-W527 HydrophobicContact CG-CZ2 3.99Å; R525-I555 CarbonylContact O-C 3.58Å; R525-I555 WeakPolarHBondContact O-CA 3.23Å; R525-S556 PolarHBondContact N-O 2.81Å; R525-S556 PolarHBondContact O-N 2.85Å; R525-S926 PolarHBondContact NH2-OG 2.81Å; R525-K927 VanDerWaalsContact CZ-CB 3.43Å
526V93.7Very high81.6Confident1 Ų148.6 Ų48.61%0.00628%0.28CS..EExtended strand (participates in β ladder)trans-139.8141179.166.60000110.4L553 L554 I555 C972 T974 F988V526-L553 HydrophobicContact CG2-CD1 3.39Å; V526-L553 HydrophobicContact CG2-CG 4.26Å; V526-L554 CarbonylContact C-O 3.6Å; V526-L554 VanDerWaalsContact CA-O 3.25Å; V526-L554 WeakPolarHBondContact CA-O 3.31Å; V526-I555 HydrophobicContact CG2-CG1 4.13Å; V526-C972 HydrophobicContact CG1-CB 4.33Å; V526-T974 HydrophobicContact CB-CG2 4.38Å; V526-T974 HydrophobicContact CG1-CG2 3.79Å; V526-T974 HydrophobicContact CG2-CG2 3.86Å; V526-F988 HydrophobicContact CB-CD2 4.19Å; V526-F988 HydrophobicContact CB-CE2 3.87Å; V526-F988 HydrophobicContact CG1-CD2 4.14Å; V526-F988 HydrophobicContact CG1-CE2 4.25Å; V526-F988 HydrophobicContact CG2-CE2 4.07Å
527W94.4Very high79.2Confident27 Ų2751.6 Ų51.610%0.10230%0.298CS..EExtended strand (participates in β ladder)trans-142.3140.4172-58.1-91.1000110.6R525 V529 L553 L554 T584 V585 A587R525-W527 HydrophobicContact CB-CE3 4.36Å; R525-W527 HydrophobicContact CB-CH2 3.19Å; R525-W527 HydrophobicContact CB-CZ2 3.61Å; R525-W527 HydrophobicContact CB-CZ3 3.62Å; R525-W527 HydrophobicContact CG-CH2 3.83Å; R525-W527 HydrophobicContact CG-CZ2 3.99Å; W527-V529 HydrophobicContact CB-CG1 4.23Å; W527-L553 CarbonylContact O-C 3.55Å; W527-L553 WeakPolarHBondContact O-CA 3.49Å; W527-L554 HydrophobicContact CE3-CB 4.25Å; W527-L554 PolarHBondContact N-O 3.05Å; W527-L554 PolarHBondContact O-N 2.97Å; W527-T584 HydrophobicContact CE3-CG2 4.18Å; W527-T584 HydrophobicContact CH2-CG2 4.02Å; W527-T584 WeakPolarHBondContact CH2-O 3.46Å; W527-T584 HydrophobicContact CZ3-CG2 3.64Å; W527-V585 WeakPolarHBondContact CH2-O 3.49Å; W527-V585 WeakPolarHBondContact CZ2-O 3.41Å; W527-A587 HydrophobicContact CB-CB 4.18Å; W527-A587 VanDerWaalsContact CD1-O 3.27Å; W527-A587 HydrophobicContact CD2-CB 4.21Å; W527-A587 HydrophobicContact CE3-CB 4.34Å; W527-A587 HydrophobicContact CG-CB 4.13Å
528T93Very high76.9Confident19 Ų1956 Ų5612%0.11732%0.322CS..EExtended strand (participates in β ladder)trans-98.6128.1165.850.50000109.6Q550 F552 L553 T974 P975 F976T528-Q550 PolarHBondContact OG1-NE2 2.92Å; T528-F552 WeakPolarHBondContact CA-O 3.49Å; T528-L553 HydrophobicContact CG2-CD1 3.73Å; T528-T974 HydrophobicContact CG2-CG2 3.75Å; T528-T974 PolarHBondContact N-OG1 3.08Å; T528-T974 PolarHBondContact OG1-OG1 2.72Å; T528-P975 WeakPolarHBondContact CG2-O 3.48Å; T528-P975 PolarHBondContact OG1-O 3.43Å; T528-F976 HydrophobicContact CG2-CD2 3.96Å
529V91.2Very high74.4Confident1 Ų160.5 Ų60.51%0.00634%0.344CS..EExtended strand (participates in β ladder)trans-138.4158.7-174.6-58.80000112W527 K551 F552 L554 F578 A587 I596W527-V529 HydrophobicContact CB-CG1 4.23Å; V529-K551 PolarHBondContact O-N 3.19Å; V529-F552 HydrophobicContact CG2-CB 3.89Å; V529-F552 PolarHBondContact N-O 3.19Å; V529-F552 PolarHBondContact O-N 2.73Å; V529-L554 HydrophobicContact CG2-CD1 3.29Å; V529-F578 HydrophobicContact CG2-CE1 4.48Å; V529-F578 HydrophobicContact CG2-CZ 4.37Å; V529-A587 HydrophobicContact CG1-CB 4.02Å; V529-I596 HydrophobicContact CB-CD1 4.5Å; V529-I596 HydrophobicContact CB-CG1 4.32Å; V529-I596 HydrophobicContact CB-CG2 3.85Å; V529-I596 HydrophobicContact CG1-CG2 4.34Å; V529-I596 HydrophobicContact CG2-CD1 4.04Å; V529-I596 HydrophobicContact CG2-CG1 4.31Å; V529-I596 HydrophobicContact CG2-CG2 3.66Å
530G83.5Confident72Confident5 Ų558.1 Ų58.15%0.05234%0.338CS..EExtended strand (participates in β ladder)trans74.9152.8-175.100000113.2Q550 K551 S589 G593G530-Q550 VanDerWaalsContact O-CA 3.3Å; G530-Q550 WeakPolarHBondContact O-CA 3.36Å; G530-K551 PolarHBondContact O-N 3.18Å; G530-S589 PolarHBondContact N-OG 2.77Å; G530-G593 WeakPolarHBondContact CA-O 3.15Å
531C80.3Confident69.7Low25 Ų2567.1 Ų67.117%0.16938%0.379CS..EExtended strand (participates in β ladder)trans-133.9141.5178.4-172.10000111.2L533 G548 A549 K551 G593C531-L533 PolarHBondContact O-N 3.41Å; C531-G548 WeakPolarHBondContact SG-CA 3.32Å; C531-A549 CarbonylContact C-O 3.43Å; C531-A549 WeakPolarHBondContact CA-O 3.46Å; C531-K551 WeakPolarHBondContact O-CE 3.47Å; C531-K551 PolarHBondContact O-NZ 3.01Å; C531-G593 PolarHBondContact N-O 2.92Å
532H74.4Confident67.6Low46 Ų4672.2 Ų72.221%0.21339%0.393CS..  trans-78.396.5164.5-70.3-82.1000109.6G548 A549 K551H532-G548 PolarHBondContact O-N 3Å; H532-A549 PolarHBondContact CD2-O 3.23Å; H532-A549 PolarHBondContact N-O 3.16Å; H532-K551 WeakPolarHBondContact ND1-CE 3.4Å; H532-K551 WeakPolarHBondContact NE2-CG 3.32Å
533L65.3Low65.6Low73 Ų7374.1 Ų74.138%0.38240%0.397SS..  trans-74.2-28.7-176.8-70.1165.4000113.9C531 E592 E594C531-L533 PolarHBondContact O-N 3.41Å; L533-E592 HydrophobicContact CD2-CB 4.26Å; L533-E594 HydrophobicContact CD1-CB 3.94Å; L533-E594 HydrophobicContact CD1-CG 4.28Å
534T56.9Low63.4Low110 Ų11079.2 Ų79.268%0.67543%0.428SS*.SBendtrans-112.8129-177.253.70000111.5
535S47Very low61.7Low71 Ų7175.3 Ų75.350%0.49742%0.418SS..  trans-60132.8156.5170.30000108.7V537S535-V537 PolarHBondContact O-N 3.24Å; S535-V537 VanDerWaalsContact O-N 3.13Å
536P43.5Very low60.4Low45 Ų4578 Ų7829%0.29243%0.431SS..  trans-59.5123.8172.420.6-25.2000108.4V538 D543 S545P536-V538 PolarHBondContact O-N 2.85Å; P536-D543 WeakPolarHBondContact CG-O 3.32Å; P536-S545 WeakPolarHBondContact CD-OG 3.45Å
537V38.9Very low59.1Low129 Ų12983.5 Ų83.578%0.78246%0.456SS*.  trans-66.394.9177.6176.60000108.5S535 N539S535-V537 PolarHBondContact O-N 3.24Å; S535-V537 VanDerWaalsContact O-N 3.13Å; V537-N539 PolarHBondContact O-N 2.92Å
538V43.2Very low58Low137 Ų13783.8 Ų83.883%0.8347%0.468SS*.SBendtrans42-3157.9-173.60000120.2P536P536-V538 PolarHBondContact O-N 2.85Å
539N38.7Very low57.4Low153 Ų15383 Ų8382%0.81846%0.464SS*.  trans-125.622.5-167.3-80.6-13.3000116.1V537V537-N539 PolarHBondContact O-N 2.92Å
540S40.7Very low57.1Low66 Ų6684.4 Ų84.446%0.46247%0.47SS..  trans-141.5101.7168.655.40000111.1K542S540-K542 PolarHBondContact O-N 2.91Å
541E43.8Very low57.2Low206 Ų20687 Ų8796%0.96348%0.479SS*.THydrogen-bonded Turntrans-64.921.3-177.6-66.5-175.2145.700115.6
542K43.2Very low57.8Low190 Ų19086.2 Ų86.283%0.82647%0.474SS*.THydrogen-bonded Turntrans-137.7-8.5-176.7-72.9-167.1176.4-176.70118.3S540S540-K542 PolarHBondContact O-N 2.91Å
543D42.1Very low58.7Low117 Ų11784 Ų8463%0.62646%0.463SS*.  trans-109.395.7175.6-73.1-22000110.2P536 S545P536-D543 WeakPolarHBondContact CG-O 3.32Å; D543-S545 PolarHBondContact O-N 2.91Å
544T43.3Very low60Low109 Ų10980.6 Ų80.667%0.66945%0.445SS*.  trans-78.951.1172.753.40000110.9F546 P979T544-F546 PolarHBondContact O-N 2.87Å; T544-F546 VanDerWaalsContact O-N 3.12Å; T544-P979 WeakPolarHBondContact O-CG 3.48Å
545S48.6Very low61.8Low33 Ų3375.3 Ų75.323%0.23141%0.413CS..  trans-75.4104175.461.50000109.3P536 D543P536-S545 WeakPolarHBondContact CD-OG 3.45Å; D543-S545 PolarHBondContact O-N 2.91Å
546F62Low64Low76 Ų7672 Ų7233%0.33339%0.389SS..  trans-65.2135.2175.6-164.6-90.2000110.1T544 G548 A549 H977 P979T544-F546 PolarHBondContact O-N 2.87Å; T544-F546 VanDerWaalsContact O-N 3.12Å; F546-G548 PolarHBondContact O-N 3.24Å; F546-A549 HydrophobicContact CB-CB 4.25Å; F546-A549 WeakPolarHBondContact O-CB 3.17Å; F546-A549 PolarHBondContact O-N 3.5Å; F546-A549 VanDerWaalsContact O-N 3.09Å; F546-H977 AromaticContact CD1-CE1 3.97Å; F546-H977 AromaticContact CD1-NE2 3.21Å; F546-H977 WeakPolarHBondContact CD1-NE2 3.5Å; F546-H977 AromaticContact CE1-CE1 3.6Å; F546-H977 AromaticContact CE1-NE2 3.22Å; F546-H977 WeakPolarHBondContact CE1-NE2 3.44Å; F546-P979 HydrophobicContact CB-CG 3.97Å
547Q66.5Low66.3Low115 Ų11572.3 Ų72.354%0.53739%0.386SS..THydrogen-bonded Turntrans-62.7128.9178.3-176177.6-6.300109.6
548G72.5Confident68.4Low33 Ų3369.8 Ų69.834%0.3438%0.375SS..THydrogen-bonded Turntrans90.2-6.8-175.700000115.1C531 H532 F546C531-G548 WeakPolarHBondContact SG-CA 3.32Å; H532-G548 PolarHBondContact O-N 3Å; F546-G548 PolarHBondContact O-N 3.24Å
549A79.7Confident70.5Confident4 Ų470.9 Ų70.93%0.03337%0.371CS..  trans-62.1141.4177.400000111.9C531 H532 F546C531-A549 CarbonylContact C-O 3.43Å; C531-A549 WeakPolarHBondContact CA-O 3.46Å; H532-A549 PolarHBondContact CD2-O 3.23Å; H532-A549 PolarHBondContact N-O 3.16Å; F546-A549 HydrophobicContact CB-CB 4.25Å; F546-A549 WeakPolarHBondContact O-CB 3.17Å; F546-A549 PolarHBondContact O-N 3.5Å; F546-A549 VanDerWaalsContact O-N 3.09Å
550Q85.2Confident73.1Confident29 Ų2965.8 Ų65.814%0.13635%0.347CS..EExtended strand (participates in β ladder)trans-77142.8178.1-63.8165.4-22.600110.6T528 G530 L566 P975 F976 H977T528-Q550 PolarHBondContact OG1-NE2 2.92Å; G530-Q550 VanDerWaalsContact O-CA 3.3Å; G530-Q550 WeakPolarHBondContact O-CA 3.36Å; Q550-L566 HydrophobicContact CB-CD1 3.96Å; Q550-L566 VanDerWaalsContact O-CB 3.31Å; Q550-L566 WeakPolarHBondContact O-CB 3.31Å; Q550-P975 PolarHBondContact NE2-O 3.16Å; Q550-F976 VanDerWaalsContact OE1-CA 3.23Å; Q550-H977 PolarHBondContact N-O 3.24Å; Q550-H977 VanDerWaalsContact N-O 3.07Å
551K86.1Confident75.6Confident59 Ų5963 Ų6326%0.25733%0.327SS..EExtended strand (participates in β ladder)trans-93.5-38.5-173.4-77.1175.8171.1167.20114.7V529 G530 C531 H532 L566V529-K551 PolarHBondContact O-N 3.19Å; G530-K551 PolarHBondContact O-N 3.18Å; C531-K551 WeakPolarHBondContact O-CE 3.47Å; C531-K551 PolarHBondContact O-NZ 3.01Å; H532-K551 WeakPolarHBondContact ND1-CE 3.4Å; H532-K551 WeakPolarHBondContact NE2-CG 3.32Å; K551-L566 WeakPolarHBondContact O-CB 3.4Å; K551-L566 PolarHBondContact O-N 3.07Å
552F92.1Very high77.9Confident10 Ų1054.2 Ų54.24%0.04429%0.286CS..EExtended strand (participates in β ladder)trans-134.6148.1-174.5-53.5-76.5000111.9T528 V529 L554 V563 L564 E565 L573 F578 I596 S610T528-F552 WeakPolarHBondContact CA-O 3.49Å; V529-F552 HydrophobicContact CG2-CB 3.89Å; V529-F552 PolarHBondContact N-O 3.19Å; V529-F552 PolarHBondContact O-N 2.73Å; F552-L554 HydrophobicContact CB-CD1 4.16Å; F552-V563 HydrophobicContact CB-CG1 4.43Å; F552-V563 HydrophobicContact CD1-CG1 4.43Å; F552-L564 CarbonylContact C-O 3.53Å; F552-L564 WeakPolarHBondContact CA-O 3.36Å; F552-E565 HydrophobicContact CD1-CG 4.41Å; F552-E565 HydrophobicContact CE1-CG 4.16Å; F552-L573 HydrophobicContact CD1-CD1 3.76Å; F552-L573 HydrophobicContact CE1-CD1 3.67Å; F552-F578 HydrophobicContact CB-CZ 4.37Å; F552-F578 HydrophobicContact CD1-CE2 4.27Å; F552-F578 HydrophobicContact CD2-CE2 4.22Å; F552-F578 HydrophobicContact CD2-CZ 4.06Å; F552-F578 HydrophobicContact CG-CE2 4.08Å; F552-F578 HydrophobicContact CG-CZ 4.15Å; F552-I596 HydrophobicContact CD2-CD1 3.52Å; F552-I596 HydrophobicContact CE2-CD1 3.79Å; F552-S610 WeakPolarHBondContact CZ-OG 3.01Å
553L93.2Very high80.3Confident0 Ų045.2 Ų45.20%025%0.247CC..EExtended strand (participates in β ladder)trans-119.6114.3173176.569.3000108.8V526 W527 T528 I555 L564 L566 T974 I986 M994V526-L553 HydrophobicContact CG2-CD1 3.39Å; V526-L553 HydrophobicContact CG2-CG 4.26Å; W527-L553 CarbonylContact O-C 3.55Å; W527-L553 WeakPolarHBondContact O-CA 3.49Å; T528-L553 HydrophobicContact CG2-CD1 3.73Å; L553-I555 HydrophobicContact CG-CG1 4.41Å; L553-L564 HydrophobicContact CB-CB 4.18Å; L553-L564 HydrophobicContact CD2-CD1 3.95Å; L553-L564 PolarHBondContact N-O 2.86Å; L553-L564 PolarHBondContact O-N 3.42Å; L553-L566 HydrophobicContact CB-CD1 4.02Å; L553-L566 HydrophobicContact CB-CD2 3.89Å; L553-L566 HydrophobicContact CB-CG 4.03Å; L553-L566 HydrophobicContact CD2-CD2 4.43Å; L553-T974 HydrophobicContact CD1-CG2 4.39Å; L553-I986 HydrophobicContact CD1-CD1 3.97Å; L553-I986 HydrophobicContact CD2-CD1 3.91Å; L553-M994 HydrophobicContact CD2-SD 4.18Å
554L93.4Very high82.6Confident0 Ų040.1 Ų40.10%022%0.22CC..EExtended strand (participates in β ladder)trans-97.8128.2177.9-77.875.1000109.4V526 W527 V529 F552 T561 V563 F578 A587 Q598V526-L554 CarbonylContact C-O 3.6Å; V526-L554 VanDerWaalsContact CA-O 3.25Å; V526-L554 WeakPolarHBondContact CA-O 3.31Å; W527-L554 HydrophobicContact CE3-CB 4.25Å; W527-L554 PolarHBondContact N-O 3.05Å; W527-L554 PolarHBondContact O-N 2.97Å; V529-L554 HydrophobicContact CG2-CD1 3.29Å; F552-L554 HydrophobicContact CB-CD1 4.16Å; L554-T561 HydrophobicContact CD2-CG2 4.48Å; L554-V563 HydrophobicContact CD1-CG1 4.43Å; L554-V563 HydrophobicContact CG-CG2 4.14Å; L554-F578 HydrophobicContact CD1-CD1 4.4Å; L554-F578 HydrophobicContact CD1-CE1 3.86Å; L554-F578 HydrophobicContact CD1-CZ 4.16Å; L554-F578 HydrophobicContact CD2-CD1 3.79Å; L554-F578 HydrophobicContact CD2-CE1 3.89Å; L554-F578 HydrophobicContact CG-CD1 4.4Å; L554-F578 HydrophobicContact CG-CE1 4.33Å; L554-A587 HydrophobicContact CD2-CB 3.74Å; L554-Q598 HydrophobicContact CD2-CG 4.22Å
555I93.9Very high84.9Confident0 Ų038.1 Ų38.10%020%0.203CC..EExtended strand (participates in β ladder)trans-119.6110.7175.7-58.4167.6000108I520 A523 R525 V526 L553 M562 L564 F988 M994I520-I555 HydrophobicContact CD1-CD1 3.53Å; A523-I555 HydrophobicContact CB-CG2 3.78Å; R525-I555 CarbonylContact O-C 3.58Å; R525-I555 WeakPolarHBondContact O-CA 3.23Å; V526-I555 HydrophobicContact CG2-CG1 4.13Å; L553-I555 HydrophobicContact CG-CG1 4.41Å; I555-M562 HydrophobicContact CB-CB 4.33Å; I555-M562 PolarHBondContact N-O 2.67Å; I555-M562 PolarHBondContact O-N 2.9Å; I555-L564 HydrophobicContact CD1-CD1 3.77Å; I555-F988 HydrophobicContact CD1-CZ 4.14Å; I555-F988 HydrophobicContact CG1-CZ 4.44Å; I555-F988 HydrophobicContact CG2-CZ 4.25Å; I555-M994 HydrophobicContact CD1-SD 4.23Å
556S92.9Very high86.7Confident0 Ų036.7 Ų36.70%019%0.193CC..EExtended strand (participates in β ladder)trans-81.5123.7174.7-173.10000109.6W524 R525 T584W524-S556 WeakPolarHBondContact CA-O 3.43Å; W524-S556 WeakPolarHBondContact CB-O 3.32Å; W524-S556 PolarHBondContact N-O 3.21Å; R525-S556 PolarHBondContact N-O 2.81Å; R525-S556 PolarHBondContact O-N 2.85Å; S556-T584 WeakPolarHBondContact CB-O 3.1Å; S556-T584 PolarHBondContact OG-N 2.79Å; S556-T584 VanDerWaalsContact OG-N 3.08Å; S556-T584 PolarHBondContact OG-O 2.87Å
557K91.3Very high87.6Confident52 Ų5235.9 Ų35.923%0.22619%0.194CC..  trans-97.9179.7171.8-61175.1-179.5167.90109.1S522 E559 S560 M562 L583S522-K557 WeakPolarHBondContact O-CA 3.15Å; K557-E559 VanDerWaalsContact C-N 3.28Å; K557-E559 PolarHBondContact O-N 2.77Å; K557-S560 WeakPolarHBondContact CA-O 3.49Å; K557-S560 WeakPolarHBondContact CB-O 3.27Å; K557-S560 PolarHBondContact N-O 2.77Å; K557-M562 PolarHBondContact NZ-SD 2.76Å; K557-M562 VanDerWaalsContact NZ-SD 3.41Å; K557-L583 WeakPolarHBondContact O-CB 3.24Å
558S85Confident88Confident77 Ų7734 Ų3454%0.53819%0.194SC..SBendtrans-61.1-32.9-178.653.10000114.3L583S558-L583 WeakPolarHBondContact O-CD2 3.33Å
559E87.2Confident88.3Confident160 Ų16039.1 Ų39.175%0.74821%0.209SC*.SBendtrans-129.4-8-174.9-63.3-178173.600113.6K557K557-E559 VanDerWaalsContact C-N 3.28Å; K557-E559 PolarHBondContact O-N 2.77Å
560S92.1Very high88.5Confident46 Ų4642.2 Ų42.232%0.32222%0.224SC..  trans-148.1169.1-173.660.10000112K557 M580 E582K557-S560 WeakPolarHBondContact CA-O 3.49Å; K557-S560 WeakPolarHBondContact CB-O 3.27Å; K557-S560 PolarHBondContact N-O 2.77Å; S560-M580 WeakPolarHBondContact CA-O 3.4Å; S560-M580 VanDerWaalsContact CB-O 3.29Å; S560-M580 WeakPolarHBondContact CB-O 3.36Å; S560-E582 CarbonylContact C-O 3.59Å
561T92.8Very high88.6Confident6 Ų643.6 Ų43.64%0.03724%0.235CC..EExtended strand (participates in β ladder)trans-116.8131.7172.9-57.20000109.4L554 V563 M580 E582 T584L554-T561 HydrophobicContact CD2-CG2 4.48Å; T561-V563 HydrophobicContact CG2-CG2 4.31Å; T561-M580 PolarHBondContact N-O 2.98Å; T561-M580 VanDerWaalsContact O-SD 3.4Å; T561-E582 PolarHBondContact N-O 3.39Å; T561-E582 PolarHBondContact OG1-O 3.44Å; T561-T584 VanDerWaalsContact CG2-OG1 3.25Å; T561-T584 WeakPolarHBondContact CG2-OG1 3.34Å; T561-T584 PolarHBondContact OG1-N 3.34Å; T561-T584 PolarHBondContact OG1-OG1 2.9Å
562M92.8Very high88.7Confident23 Ų2346.4 Ų46.411%0.11325%0.249CC..EExtended strand (participates in β ladder)trans-101.3132.2172.1176.8176.5-176.600108.6I520 I555 K557 L564 E572I520-M562 HydrophobicContact CG2-SD 4.27Å; I555-M562 HydrophobicContact CB-CB 4.33Å; I555-M562 PolarHBondContact N-O 2.67Å; I555-M562 PolarHBondContact O-N 2.9Å; K557-M562 PolarHBondContact NZ-SD 2.76Å; K557-M562 VanDerWaalsContact NZ-SD 3.41Å; M562-L564 HydrophobicContact CE-CD1 4.43Å; M562-L564 HydrophobicContact CE-CD2 3.54Å; M562-L564 HydrophobicContact CE-CG 4.29Å; M562-L564 HydrophobicContact CG-CD2 4.43Å; M562-E572 HydrophobicContact CE-CB 4.39Å; M562-E572 VanDerWaalsContact CE-CD 3.46Å; M562-E572 HydrophobicContact CE-CG 4.08Å; M562-E572 VanDerWaalsContact CE-OE2 3.29Å; M562-E572 WeakPolarHBondContact CE-OE2 3.29Å; M562-E572 HydrophobicContact CG-CG 4.44Å
563V92.6Very high88.4Confident0 Ų047.4 Ų47.40%025%0.254CS..EExtended strand (participates in β ladder)trans-120.1128.6-179.8-174.90000108.8F552 L554 T561 L573 F578 M580F552-V563 HydrophobicContact CB-CG1 4.43Å; F552-V563 HydrophobicContact CD1-CG1 4.43Å; L554-V563 HydrophobicContact CD1-CG1 4.43Å; L554-V563 HydrophobicContact CG-CG2 4.14Å; T561-V563 HydrophobicContact CG2-CG2 4.31Å; V563-L573 HydrophobicContact CG1-CD1 4.28Å; V563-L573 PolarHBondContact O-N 3Å; V563-F578 HydrophobicContact CG1-CD2 3.89Å; V563-F578 HydrophobicContact CG1-CE2 4.04Å; V563-F578 HydrophobicContact CG1-CG 4.45Å; V563-F578 HydrophobicContact CG2-CB 3.91Å; V563-F578 HydrophobicContact CG2-CD2 4.21Å; V563-F578 HydrophobicContact CG2-CG 4.01Å; V563-M580 HydrophobicContact CB-CE 3.44Å; V563-M580 VanDerWaalsContact CB-CE 3.44Å; V563-M580 HydrophobicContact CB-SD 4.02Å; V563-M580 HydrophobicContact CG2-CE 3.42Å; V563-M580 VanDerWaalsContact CG2-CE 3.42Å; V563-M580 HydrophobicContact CG2-SD 3.25Å; V563-M580 WeakPolarHBondContact CG2-SD 3.41Å
564L92.2Very high87.9Confident10 Ų1056.5 Ų56.55%0.05230%0.297CS..EExtended strand (participates in β ladder)trans-114.2134.9177.9-57.5171.9000109.1F552 L553 I555 M562 I570 T571 E572F552-L564 CarbonylContact C-O 3.53Å; F552-L564 WeakPolarHBondContact CA-O 3.36Å; L553-L564 HydrophobicContact CB-CB 4.18Å; L553-L564 HydrophobicContact CD2-CD1 3.95Å; L553-L564 PolarHBondContact N-O 2.86Å; L553-L564 PolarHBondContact O-N 3.42Å; I555-L564 HydrophobicContact CD1-CD1 3.77Å; M562-L564 HydrophobicContact CE-CD1 4.43Å; M562-L564 HydrophobicContact CE-CD2 3.54Å; M562-L564 HydrophobicContact CE-CG 4.29Å; M562-L564 HydrophobicContact CG-CD2 4.43Å; L564-I570 HydrophobicContact CB-CG2 3.78Å; L564-I570 HydrophobicContact CD1-CG2 3.75Å; L564-I570 HydrophobicContact CD2-CG2 4.45Å; L564-I570 HydrophobicContact CG-CG2 4.19Å; L564-T571 CarbonylContact C-O 3.53Å; L564-T571 WeakPolarHBondContact CA-O 3.22Å; L564-E572 HydrophobicContact CD2-CB 3.69Å; L564-E572 HydrophobicContact CD2-CG 4.13Å
565E89.9Confident87.1Confident68 Ų6861.6 Ų61.632%0.31833%0.333SS..EExtended strand (participates in β ladder)trans-82134.1169.8-160.9171.5-162.800109.5F552 T567 T571 L573F552-E565 HydrophobicContact CD1-CG 4.41Å; F552-E565 HydrophobicContact CE1-CG 4.16Å; E565-T567 HydrophobicContact CG-CG2 4.19Å; E565-T571 PolarHBondContact N-O 3.35Å; E565-T571 PolarHBondContact O-N 3.26Å; E565-L573 HydrophobicContact CB-CD1 3.79Å; E565-L573 HydrophobicContact CB-CD2 4.29Å; E565-L573 HydrophobicContact CB-CG 3.9Å; E565-L573 HydrophobicContact CG-CD1 4.32Å
566L87.1Confident86.6Confident2 Ų263.2 Ų63.21%0.0134%0.344CS..EExtended strand (participates in β ladder)trans-10599.1-178.4-62.1175.1000108.8Q550 K551 L553 I570 F976Q550-L566 HydrophobicContact CB-CD1 3.96Å; Q550-L566 VanDerWaalsContact O-CB 3.31Å; Q550-L566 WeakPolarHBondContact O-CB 3.31Å; K551-L566 WeakPolarHBondContact O-CB 3.4Å; K551-L566 PolarHBondContact O-N 3.07Å; L553-L566 HydrophobicContact CB-CD1 4.02Å; L553-L566 HydrophobicContact CB-CD2 3.89Å; L553-L566 HydrophobicContact CB-CG 4.03Å; L553-L566 HydrophobicContact CD2-CD2 4.43Å; L566-I570 HydrophobicContact CD2-CD1 4.44Å; L566-I570 HydrophobicContact CD2-CG1 4.1Å; L566-I570 HydrophobicContact CD2-CG2 4.36Å; L566-F976 HydrophobicContact CD1-CD2 4.32Å; L566-F976 HydrophobicContact CD1-CE2 3.77Å; L566-F976 HydrophobicContact CD2-CE2 3.8Å; L566-F976 HydrophobicContact CD2-CZ 4.35Å; L566-F976 HydrophobicContact CG-CE2 4.34Å
567T81.2Confident86.2Confident60 Ų6063.9 Ų63.937%0.36835%0.35SS..SBendtrans-118.5-136.317263.40000109.2E565 E569 N978E565-T567 HydrophobicContact CG-CG2 4.19Å; T567-E569 VanDerWaalsContact C-N 3.31Å; T567-E569 PolarHBondContact N-O 2.85Å; T567-E569 PolarHBondContact OG1-N 3.07Å; T567-E569 PolarHBondContact OG1-O 3.37Å; T567-N978 PolarHBondContact O-ND2 3.03Å
568S74.1Confident86.2Confident75 Ų7561.9 Ų61.952%0.52434%0.342SS..SBendtrans-69.3-32.3162.854.10000111.7N980S568-N980 PolarHBondContact O-ND2 2.87Å
569E78.9Confident86.5Confident141 Ų14159.2 Ų59.266%0.65932%0.321SS*.SBendtrans-115.9152.6174.7-65.3-175.9-179.700110.3T567T567-E569 VanDerWaalsContact C-N 3.31Å; T567-E569 PolarHBondContact N-O 2.85Å; T567-E569 PolarHBondContact OG1-N 3.07Å; T567-E569 PolarHBondContact OG1-O 3.37Å
570I83.5Confident86.6Confident69 Ų6953.4 Ų53.435%0.35430%0.295SS..EExtended strand (participates in β ladder)trans-95.8106.6177.2-56.7176.3000107.6L564 L566 I996L564-I570 HydrophobicContact CB-CG2 3.78Å; L564-I570 HydrophobicContact CD1-CG2 3.75Å; L564-I570 HydrophobicContact CD2-CG2 4.45Å; L564-I570 HydrophobicContact CG-CG2 4.19Å; L566-I570 HydrophobicContact CD2-CD1 4.44Å; L566-I570 HydrophobicContact CD2-CG1 4.1Å; L566-I570 HydrophobicContact CD2-CG2 4.36Å; I570-I996 HydrophobicContact CD1-CD1 3.67Å
571T88.5Confident86.6Confident58 Ų5858.2 Ų58.236%0.35632%0.317SS..EExtended strand (participates in β ladder)trans-113.1143.9-177.352.40000111.2L564 E565L564-T571 CarbonylContact C-O 3.53Å; L564-T571 WeakPolarHBondContact CA-O 3.22Å; E565-T571 PolarHBondContact N-O 3.35Å; E565-T571 PolarHBondContact O-N 3.26Å
572E88.5Confident86.5Confident118 Ų11860.3 Ų60.355%0.55133%0.326SS*.EExtended strand (participates in β ladder)trans-80.4128.6175.3-173.5169-17200110.8M562 L564M562-E572 HydrophobicContact CE-CB 4.39Å; M562-E572 VanDerWaalsContact CE-CD 3.46Å; M562-E572 HydrophobicContact CE-CG 4.08Å; M562-E572 VanDerWaalsContact CE-OE2 3.29Å; M562-E572 WeakPolarHBondContact CE-OE2 3.29Å; M562-E572 HydrophobicContact CG-CG 4.44Å; L564-E572 HydrophobicContact CD2-CB 3.69Å; L564-E572 HydrophobicContact CD2-CG 4.13Å
573L86.1Confident86.5Confident31 Ų3162 Ų6216%0.16234%0.335CS..  trans-91.8111.7178.3-75.9170.7000110.2F552 V563 E565 M580F552-L573 HydrophobicContact CD1-CD1 3.76Å; F552-L573 HydrophobicContact CE1-CD1 3.67Å; V563-L573 HydrophobicContact CG1-CD1 4.28Å; V563-L573 PolarHBondContact O-N 3Å; E565-L573 HydrophobicContact CB-CD1 3.79Å; E565-L573 HydrophobicContact CB-CD2 4.29Å; E565-L573 HydrophobicContact CB-CG 3.9Å; E565-L573 HydrophobicContact CG-CD1 4.32Å; L573-M580 WeakPolarHBondContact O-CE 3.32Å
574E81.3Confident86.5Confident190 Ų19062.1 Ų62.189%0.88834%0.336SS*.SBendtrans-75.1-35.1176.3-63.8-171.9166.800112.7
575S76.4Confident86.5Confident108 Ų10862.6 Ų62.676%0.75534%0.339SS*.SBendtrans-126.4116.5-179.864.10000110.9
576S83.2Confident86.7Confident34 Ų3460.4 Ų60.424%0.23833%0.33CS..  trans-149.8172.2178.566.70000110.5F578S576-F578 PolarHBondContact O-N 3.46Å; S576-F578 WeakPolarHBondContact OG-CD2 3.07Å; S576-F578 PolarHBondContact OG-N 2.87Å
577G84.8Confident87Confident13 Ų1360.6 Ų60.613%0.13433%0.332CS..SBendtrans-70.6-2.217200000114.6I607 S610G577-I607 WeakPolarHBondContact O-CD1 3.48Å; G577-S610 WeakPolarHBondContact CA-O 3.16Å; G577-S610 PolarHBondContact N-O 2.82Å
578F91.6Very high87.6Confident11 Ų1158.3 Ų58.35%0.04832%0.32CS..SBendtrans-81.9151.1178.8-63.5-85.6000111.8V529 F552 L554 V563 S576 M580 I596 Q598 I607V529-F578 HydrophobicContact CG2-CE1 4.48Å; V529-F578 HydrophobicContact CG2-CZ 4.37Å; F552-F578 HydrophobicContact CB-CZ 4.37Å; F552-F578 HydrophobicContact CD1-CE2 4.27Å; F552-F578 HydrophobicContact CD2-CE2 4.22Å; F552-F578 HydrophobicContact CD2-CZ 4.06Å; F552-F578 HydrophobicContact CG-CE2 4.08Å; F552-F578 HydrophobicContact CG-CZ 4.15Å; L554-F578 HydrophobicContact CD1-CD1 4.4Å; L554-F578 HydrophobicContact CD1-CE1 3.86Å; L554-F578 HydrophobicContact CD1-CZ 4.16Å; L554-F578 HydrophobicContact CD2-CD1 3.79Å; L554-F578 HydrophobicContact CD2-CE1 3.89Å; L554-F578 HydrophobicContact CG-CD1 4.4Å; L554-F578 HydrophobicContact CG-CE1 4.33Å; V563-F578 HydrophobicContact CG1-CD2 3.89Å; V563-F578 HydrophobicContact CG1-CE2 4.04Å; V563-F578 HydrophobicContact CG1-CG 4.45Å; V563-F578 HydrophobicContact CG2-CB 3.91Å; V563-F578 HydrophobicContact CG2-CD2 4.21Å; V563-F578 HydrophobicContact CG2-CG 4.01Å; S576-F578 PolarHBondContact O-N 3.46Å; S576-F578 WeakPolarHBondContact OG-CD2 3.07Å; S576-F578 PolarHBondContact OG-N 2.87Å; F578-M580 HydrophobicContact CB-SD 4.29Å; F578-M580 PolarHBondContact O-N 2.95Å; F578-I596 HydrophobicContact CE1-CG2 3.76Å; F578-I596 HydrophobicContact CZ-CD1 4.05Å; F578-I596 HydrophobicContact CZ-CG2 4.11Å; F578-Q598 HydrophobicContact CD1-CB 4.4Å; F578-I607 HydrophobicContact CB-CD1 4.16Å; F578-I607 HydrophobicContact CD1-CD1 3.11Å; F578-I607 HydrophobicContact CD2-CD1 4.08Å; F578-I607 HydrophobicContact CE1-CD1 3.35Å; F578-I607 HydrophobicContact CE2-CD1 4.27Å; F578-I607 HydrophobicContact CE2-CG2 4.49Å; F578-I607 HydrophobicContact CG-CD1 3.52Å; F578-I607 HydrophobicContact CZ-CD1 3.93Å; F578-I607 HydrophobicContact CZ-CG2 4.45Å
579I90.9Very high88.4Confident20 Ų2056.6 Ų56.610%0.10331%0.308CS..  trans-80.8115.5169.2-62.2173.6000108.3E582 Q598 T600 K603 V605I579-E582 HydrophobicContact CG2-CB 4.02Å; I579-E582 HydrophobicContact CG2-CG 4.41Å; I579-Q598 PolarHBondContact O-NE2 2.85Å; I579-T600 HydrophobicContact CB-CG2 4.2Å; I579-T600 HydrophobicContact CD1-CG2 4.13Å; I579-T600 HydrophobicContact CG2-CG2 4.2Å; I579-K603 HydrophobicContact CD1-CB 3.74Å; I579-K603 HydrophobicContact CD1-CD 3.64Å; I579-K603 HydrophobicContact CD1-CG 4.34Å; I579-V605 HydrophobicContact CD1-CG2 3.33Å; I579-V605 HydrophobicContact CG1-CG2 3.8Å
580M90.6Very high89Confident39 Ų3949.9 Ų49.919%0.19228%0.277CS..  trans-97.6-27.3-179.7-55.2-61.8-127.300112.8S560 T561 V563 L573 F578 E582S560-M580 WeakPolarHBondContact CA-O 3.4Å; S560-M580 VanDerWaalsContact CB-O 3.29Å; S560-M580 WeakPolarHBondContact CB-O 3.36Å; T561-M580 PolarHBondContact N-O 2.98Å; T561-M580 VanDerWaalsContact O-SD 3.4Å; V563-M580 HydrophobicContact CB-CE 3.44Å; V563-M580 VanDerWaalsContact CB-CE 3.44Å; V563-M580 HydrophobicContact CB-SD 4.02Å; V563-M580 HydrophobicContact CG2-CE 3.42Å; V563-M580 VanDerWaalsContact CG2-CE 3.42Å; V563-M580 HydrophobicContact CG2-SD 3.25Å; V563-M580 WeakPolarHBondContact CG2-SD 3.41Å; L573-M580 WeakPolarHBondContact O-CE 3.32Å; F578-M580 HydrophobicContact CB-SD 4.29Å; F578-M580 PolarHBondContact O-N 2.95Å; M580-E582 VanDerWaalsContact C-N 3.3Å; M580-E582 PolarHBondContact O-N 3.44Å
581D91.3Very high89.2Confident147 Ų14748.7 Ų48.779%0.78627%0.271SS*.SBendtrans-79-10.5-171.6-54.5-27.3000114.1
582E90.9Very high88.8Confident49 Ų4953.8 Ų53.823%0.22929%0.291CS..SBendtrans-123.2154178.1-67.9178.2-143.200109.5S560 T561 I579 M580 T600 S602 K603S560-E582 CarbonylContact C-O 3.59Å; T561-E582 PolarHBondContact N-O 3.39Å; T561-E582 PolarHBondContact OG1-O 3.44Å; I579-E582 HydrophobicContact CG2-CB 4.02Å; I579-E582 HydrophobicContact CG2-CG 4.41Å; M580-E582 VanDerWaalsContact C-N 3.3Å; M580-E582 PolarHBondContact O-N 3.44Å; E582-T600 HydrophobicContact CB-CG2 4.26Å; E582-S602 VanDerWaalsContact CD-OG 3.32Å; E582-S602 PolarHBondContact OE1-OG 2.94Å; E582-S602 PolarHBondContact OE2-OG 2.88Å; E582-K603 IonicContact OE1-NZ 2.68Å; E582-K603 PolarHBondContact OE1-NZ 3.11Å
583L92.1Very high88.5Confident60 Ų6048.4 Ų48.431%0.31427%0.267SS..  trans-66.3142.5171.77388.8000110.4K557 S558 V585 P601K557-L583 WeakPolarHBondContact O-CB 3.24Å; S558-L583 WeakPolarHBondContact O-CD2 3.33Å; L583-V585 HydrophobicContact CD1-CG2 4.14Å; L583-P601 HydrophobicContact CD1-CG 3.85Å; L583-P601 HydrophobicContact CG-CG 4.03Å; L583-P601 VanDerWaalsContact O-CD 3.23Å; L583-P601 WeakPolarHBondContact O-CD 3.19Å
584T93.7Very high88.6Confident2 Ų250.4 Ų50.41%0.01228%0.276CS..  trans-87.7130.4172.7-62.10000109.6W527 S556 T561 A587 Q598W527-T584 HydrophobicContact CE3-CG2 4.18Å; W527-T584 HydrophobicContact CH2-CG2 4.02Å; W527-T584 WeakPolarHBondContact CH2-O 3.46Å; W527-T584 HydrophobicContact CZ3-CG2 3.64Å; S556-T584 WeakPolarHBondContact CB-O 3.1Å; S556-T584 PolarHBondContact OG-N 2.79Å; S556-T584 VanDerWaalsContact OG-N 3.08Å; S556-T584 PolarHBondContact OG-O 2.87Å; T561-T584 VanDerWaalsContact CG2-OG1 3.25Å; T561-T584 WeakPolarHBondContact CG2-OG1 3.34Å; T561-T584 PolarHBondContact OG1-N 3.34Å; T561-T584 PolarHBondContact OG1-OG1 2.9Å; T584-A587 HydrophobicContact CG2-CB 4.15Å; T584-Q598 HydrophobicContact CG2-CG 3.87Å; T584-Q598 PolarHBondContact OG1-NE2 3.02Å
585V91.7Very high89.1Confident20 Ų2042.2 Ų42.212%0.12124%0.237CC..SBendtrans-82.6-52.6175.7-178.90000110.1W527 L583 V599 P601W527-V585 WeakPolarHBondContact CH2-O 3.49Å; W527-V585 WeakPolarHBondContact CZ2-O 3.41Å; L583-V585 HydrophobicContact CD1-CG2 4.14Å; V585-V599 HydrophobicContact CB-CG1 4.41Å; V585-V599 PolarHBondContact N-O 3.19Å; V585-P601 HydrophobicContact CG2-CG 3.95Å
586V93.6Very high89.9Confident21 Ų2137.4 Ų37.413%0.12720%0.202CC..EExtended strand (participates in β ladder)trans-148.5143.2175.1177.40000109.5V599 A627 I629V586-V599 PolarHBondContact N-O 3.04Å; V586-V599 WeakPolarHBondContact O-CB 3.42Å; V586-V599 PolarHBondContact O-N 2.91Å; V586-A627 HydrophobicContact CB-CB 4.18Å; V586-A627 HydrophobicContact CG2-CB 4.16Å; V586-A627 WeakPolarHBondContact CG2-O 3.44Å; V586-I629 HydrophobicContact CB-CD1 4.49Å; V586-I629 HydrophobicContact CG1-CD1 3.67Å; V586-I629 HydrophobicContact CG1-CG1 4.02Å
587A94.2Very high90.5Very high6 Ų635.8 Ų35.85%0.0519%0.191CC..EExtended strand (participates in β ladder)trans-129.2149.1167.200000110.6W527 V529 L554 T584 V597W527-A587 HydrophobicContact CB-CB 4.18Å; W527-A587 VanDerWaalsContact CD1-O 3.27Å; W527-A587 HydrophobicContact CD2-CB 4.21Å; W527-A587 HydrophobicContact CE3-CB 4.34Å; W527-A587 HydrophobicContact CG-CB 4.13Å; V529-A587 HydrophobicContact CG1-CB 4.02Å; L554-A587 HydrophobicContact CD2-CB 3.74Å; T584-A587 HydrophobicContact CG2-CB 4.15Å; A587-V597 VanDerWaalsContact CA-O 3.27Å; A587-V597 WeakPolarHBondContact CA-O 3.46Å
588G92.9Very high91Very high12 Ų1235.1 Ų35.112%0.12419%0.185CC..EExtended strand (participates in β ladder)trans-165.8168.1-178.900000112.1V597G588-V597 PolarHBondContact N-O 2.81Å; G588-V597 PolarHBondContact O-N 2.73Å
589S92.5Very high91.1Very high39 Ų3934.6 Ų34.627%0.27318%0.182SC..EExtended strand (participates in β ladder)trans-104.6151.1-177.5-48.20000112.4G530 Y595G530-S589 PolarHBondContact N-OG 2.77Å; S589-Y595 CarbonylContact C-O 3.57Å; S589-Y595 WeakPolarHBondContact CA-O 3.44Å
590L90.9Very high91.3Very high0 Ų033.7 Ų33.70%018%0.178CC..EExtended strand (participates in β ladder)trans-129.9159.3175.8-55.8177.8000109.9G593 E594 Y595 V597 L606 I629 D631 V634 L648 L657L590-G593 PolarHBondContact O-N 2.66Å; L590-E594 PolarHBondContact O-N 3.02Å; L590-Y595 PolarHBondContact N-O 3.15Å; L590-Y595 PolarHBondContact O-N 2.83Å; L590-V597 HydrophobicContact CD1-CG2 3.38Å; L590-V597 HydrophobicContact CG-CG2 4.02Å; L590-L606 HydrophobicContact CD1-CD1 4.42Å; L590-I629 HydrophobicContact CD2-CG2 4.05Å; L590-D631 HydrophobicContact CD2-CB 4.13Å; L590-V634 HydrophobicContact CD1-CG2 4.32Å; L590-V634 HydrophobicContact CD2-CG2 4.45Å; L590-L648 HydrophobicContact CB-CD2 3.92Å; L590-L648 HydrophobicContact CD1-CB 4.1Å; L590-L648 HydrophobicContact CD1-CD1 4.32Å; L590-L648 HydrophobicContact CD1-CD2 4.15Å; L590-L648 HydrophobicContact CD1-CG 4.43Å; L590-L657 HydrophobicContact CD1-CD2 4.17Å
591L87Confident91.3Very high45 Ų4533.3 Ų33.324%0.23618%0.178CC..G310 helixtrans4859.8-170.6-63.3177.6000112.5G593 E594 Y595 D631 L648 Y655L591-G593 PolarHBondContact O-N 3.27Å; L591-E594 HydrophobicContact CB-CB 4.24Å; L591-E594 PolarHBondContact O-N 2.8Å; L591-E594 VanDerWaalsContact O-N 3.09Å; L591-Y595 HydrophobicContact CB-CD2 4.39Å; L591-Y595 HydrophobicContact CD1-CD2 3.54Å; L591-Y595 HydrophobicContact CD1-CE2 3.74Å; L591-Y595 HydrophobicContact CG-CD2 4.32Å; L591-D631 WeakPolarHBondContact CA-OD2 3.34Å; L591-D631 PolarHBondContact N-OD1 3.49Å; L591-D631 PolarHBondContact N-OD2 2.96Å; L591-L648 HydrophobicContact CD1-CD2 3.88Å; L591-L648 HydrophobicContact CD2-CD2 4.36Å; L591-L648 HydrophobicContact CG-CD2 3.65Å; L591-Y655 HydrophobicContact CD1-CD1 3.52Å; L591-Y655 HydrophobicContact CD1-CD2 3.99Å; L591-Y655 HydrophobicContact CD1-CE1 3.18Å; L591-Y655 HydrophobicContact CD1-CE2 3.7Å; L591-Y655 HydrophobicContact CD1-CG 3.89Å; L591-Y655 HydrophobicContact CD2-CE1 4.1Å; L591-Y655 HydrophobicContact CG-CE1 4.19Å
592E80Confident91.3Very high165 Ų16528.2 Ų28.277%0.77115%0.154SC*.G310 helixtrans5719.8175.7-55.5-173.4162.500114.8L533 D631L533-E592 HydrophobicContact CD2-CB 4.26Å; E592-D631 PolarHBondContact N-OD2 2.84Å
593G83.6Confident91.3Very high5 Ų528.4 Ų28.45%0.05215%0.154CC..G310 helixtrans108.5-1.8179.200000115.9G530 C531 L590 L591G530-G593 WeakPolarHBondContact CA-O 3.15Å; C531-G593 PolarHBondContact N-O 2.92Å; L590-G593 PolarHBondContact O-N 2.66Å; L591-G593 PolarHBondContact O-N 3.27Å
594E87.9Confident91.4Very high73 Ų7325.6 Ų25.634%0.34114%0.139SC..THydrogen-bonded Turntrans-72.4-43.7179.4-161.8-168.6164.100112.3L533 L590 L591 H608L533-E594 HydrophobicContact CD1-CB 3.94Å; L533-E594 HydrophobicContact CD1-CG 4.28Å; L590-E594 PolarHBondContact O-N 3.02Å; L591-E594 HydrophobicContact CB-CB 4.24Å; L591-E594 PolarHBondContact O-N 2.8Å; L591-E594 VanDerWaalsContact O-N 3.09Å; E594-H608 IonicContact OE1-CD2 3.82Å; E594-H608 IonicContact OE1-CE1 2.91Å; E594-H608 IonicContact OE1-NE2 2.62Å; E594-H608 PolarHBondContact OE1-NE2 2.88Å
595Y91.8Very high91.4Very high18 Ų1825.6 Ų25.67%0.07114%0.139CC..EExtended strand (participates in β ladder)trans-105.1145.9178.5-75.9-92.3000110.7S589 L590 L591 L606 I607 H608 V613 Y655S589-Y595 CarbonylContact C-O 3.57Å; S589-Y595 WeakPolarHBondContact CA-O 3.44Å; L590-Y595 PolarHBondContact N-O 3.15Å; L590-Y595 PolarHBondContact O-N 2.83Å; L591-Y595 HydrophobicContact CB-CD2 4.39Å; L591-Y595 HydrophobicContact CD1-CD2 3.54Å; L591-Y595 HydrophobicContact CD1-CE2 3.74Å; L591-Y595 HydrophobicContact CG-CD2 4.32Å; Y595-L606 HydrophobicContact CD1-CD1 3.91Å; Y595-L606 HydrophobicContact CD1-CD2 4.06Å; Y595-L606 HydrophobicContact CD1-CG 3.91Å; Y595-L606 HydrophobicContact CE1-CD2 4.41Å; Y595-L606 HydrophobicContact CG-CD1 4.34Å; Y595-I607 WeakPolarHBondContact CA-O 3.25Å; Y595-H608 HydrophobicContact CD1-CB 3.9Å; Y595-H608 HydrophobicContact CE1-CB 3.57Å; Y595-H608 AromaticContact CE1-CD2 3.8Å; Y595-H608 AromaticContact CE1-CG 3.79Å; Y595-H608 AromaticContact CE2-CD2 3.77Å; Y595-H608 AromaticContact CZ-CD2 3.54Å; Y595-H608 AromaticContact CZ-CG 3.86Å; Y595-V613 HydrophobicContact CE1-CG2 4.37Å; Y595-Y655 HydrophobicContact CD2-CD2 4.44Å; Y595-Y655 HydrophobicContact CD2-CG 4.44Å; Y595-Y655 AromaticContact CE2-CD2 3.4Å; Y595-Y655 HydrophobicContact CE2-CD2 3.4Å; Y595-Y655 VanDerWaalsContact CE2-CD2 3.4Å; Y595-Y655 HydrophobicContact CE2-CE2 4.04Å; Y595-Y655 AromaticContact CE2-CG 3.74Å; Y595-Y655 HydrophobicContact CE2-CG 3.74Å; Y595-Y655 AromaticContact CZ-CD2 3.54Å; Y595-Y655 AromaticContact CZ-CG 3.86Å; Y595-Y655 WeakPolarHBondContact OH-CD2 3.36Å
596I93.4Very high91.5Very high6 Ų624.6 Ų24.63%0.03113%0.133CC..EExtended strand (participates in β ladder)trans-122.6135.7179.5-59.1161.8000108.4V529 F552 F578 L606 I607V529-I596 HydrophobicContact CB-CD1 4.5Å; V529-I596 HydrophobicContact CB-CG1 4.32Å; V529-I596 HydrophobicContact CB-CG2 3.85Å; V529-I596 HydrophobicContact CG1-CG2 4.34Å; V529-I596 HydrophobicContact CG2-CD1 4.04Å; V529-I596 HydrophobicContact CG2-CG1 4.31Å; V529-I596 HydrophobicContact CG2-CG2 3.66Å; F552-I596 HydrophobicContact CD2-CD1 3.52Å; F552-I596 HydrophobicContact CE2-CD1 3.79Å; F578-I596 HydrophobicContact CE1-CG2 3.76Å; F578-I596 HydrophobicContact CZ-CD1 4.05Å; F578-I596 HydrophobicContact CZ-CG2 4.11Å; I596-L606 CarbonylContact O-C 3.52Å; I596-L606 WeakPolarHBondContact O-CA 3.39Å; I596-I607 HydrophobicContact CB-CB 4.29Å; I596-I607 PolarHBondContact N-O 2.96Å; I596-I607 PolarHBondContact O-N 2.8Å
597V94.6Very high91.4Very high0 Ų023.6 Ų23.60%013%0.127CC..EExtended strand (participates in β ladder)trans-112.6128.5172.9176.90000109.5A587 G588 L590 V599 V604 V605 L606 I629 V634 L657A587-V597 VanDerWaalsContact CA-O 3.27Å; A587-V597 WeakPolarHBondContact CA-O 3.46Å; G588-V597 PolarHBondContact N-O 2.81Å; G588-V597 PolarHBondContact O-N 2.73Å; L590-V597 HydrophobicContact CD1-CG2 3.38Å; L590-V597 HydrophobicContact CG-CG2 4.02Å; V597-V599 HydrophobicContact CG1-CG2 4.1Å; V597-V604 HydrophobicContact CG1-CG1 3.81Å; V597-V605 WeakPolarHBondContact CA-O 3.46Å; V597-L606 HydrophobicContact CG2-CD1 3.69Å; V597-I629 HydrophobicContact CB-CD1 4.39Å; V597-I629 HydrophobicContact CG1-CD1 4.36Å; V597-V634 HydrophobicContact CB-CG2 4.46Å; V597-V634 HydrophobicContact CG1-CG1 4.41Å; V597-V634 HydrophobicContact CG1-CG2 4.2Å; V597-V634 HydrophobicContact CG2-CG2 4.27Å; V597-L657 HydrophobicContact CG2-CD1 4.16Å
598Q95.3Very high91.2Very high0 Ų025 Ų250%013%0.133CC..EExtended strand (participates in β ladder)trans-114.1127.7171.2-173.2-169.55.600109L554 F578 I579 T584 V604 V605L554-Q598 HydrophobicContact CD2-CG 4.22Å; F578-Q598 HydrophobicContact CD1-CB 4.4Å; I579-Q598 PolarHBondContact O-NE2 2.85Å; T584-Q598 HydrophobicContact CG2-CG 3.87Å; T584-Q598 PolarHBondContact OG1-NE2 3.02Å; Q598-V604 WeakPolarHBondContact O-CA 3.44Å; Q598-V605 PolarHBondContact N-O 2.74Å; Q598-V605 PolarHBondContact O-N 2.76Å
599V94.8Very high90.7Very high0 Ų031.5 Ų31.50%016%0.16CC..EExtended strand (participates in β ladder)trans-111.8124.8177.4-177.90000108.8V585 V586 V597 V604 I624 A627 I629 V634 L636V585-V599 HydrophobicContact CB-CG1 4.41Å; V585-V599 PolarHBondContact N-O 3.19Å; V586-V599 PolarHBondContact N-O 3.04Å; V586-V599 WeakPolarHBondContact O-CB 3.42Å; V586-V599 PolarHBondContact O-N 2.91Å; V597-V599 HydrophobicContact CG1-CG2 4.1Å; V599-V604 HydrophobicContact CG1-CG2 4.26Å; V599-V604 HydrophobicContact CG2-CG1 4.31Å; V599-V604 HydrophobicContact CG2-CG2 4.31Å; V599-I624 HydrophobicContact CG1-CD1 3.88Å; V599-I624 HydrophobicContact CG1-CG2 3.88Å; V599-A627 HydrophobicContact CB-CB 4.48Å; V599-A627 HydrophobicContact CG1-CB 4.15Å; V599-A627 HydrophobicContact CG2-CB 4.33Å; V599-I629 HydrophobicContact CG2-CD1 4.49Å; V599-V634 HydrophobicContact CG2-CG1 4.41Å; V599-L636 HydrophobicContact CG1-CD2 3.77Å; V599-L636 HydrophobicContact CG2-CD2 3.93Å
600T93.7Very high90.2Very high0 Ų031.7 Ų31.70%016%0.161CC..  trans-113.3169.517363.30000108.9I579 E582 S602 K603 I624I579-T600 HydrophobicContact CB-CG2 4.2Å; I579-T600 HydrophobicContact CD1-CG2 4.13Å; I579-T600 HydrophobicContact CG2-CG2 4.2Å; E582-T600 HydrophobicContact CB-CG2 4.26Å; T600-S602 PolarHBondContact O-N 3.29Å; T600-S602 VanDerWaalsContact O-N 3.1Å; T600-K603 PolarHBondContact N-O 3.21Å; T600-K603 WeakPolarHBondContact OG1-CA 3.16Å; T600-K603 WeakPolarHBondContact OG1-CB 3.42Å; T600-K603 PolarHBondContact OG1-N 2.81Å; T600-K603 PolarHBondContact OG1-O 2.96Å; T600-I624 WeakPolarHBondContact O-CD1 3.47Å
601P91.2Very high90.1Very high32 Ų3237.5 Ų37.521%0.20819%0.192CC..SBendtrans-57.9-24.8178-26.335.8000114.2L583 V585 V623 I624L583-P601 HydrophobicContact CD1-CG 3.85Å; L583-P601 HydrophobicContact CG-CG 4.03Å; L583-P601 VanDerWaalsContact O-CD 3.23Å; L583-P601 WeakPolarHBondContact O-CD 3.19Å; V585-P601 HydrophobicContact CG2-CG 3.95Å; P601-V623 HydrophobicContact CB-CG1 4.02Å; P601-I624 PolarHBondContact O-N 2.8Å
602S91Very high90.2Very high39 Ų3938.2 Ų38.227%0.27320%0.199SC..SBendtrans-115-24.3-175.477.80000114.9E582 T600 L618E582-S602 VanDerWaalsContact CD-OG 3.32Å; E582-S602 PolarHBondContact OE1-OG 2.94Å; E582-S602 PolarHBondContact OE2-OG 2.88Å; T600-S602 PolarHBondContact O-N 3.29Å; T600-S602 VanDerWaalsContact O-N 3.1Å; S602-L618 PolarHBondContact O-N 2.73Å
603K92.5Very high90.7Very high54 Ų5433 Ų3324%0.23518%0.179CC..EExtended strand (participates in β ladder)trans-137.5151-170.1-64.4152.4-171.8158.90112.6I579 E582 T600 I616I579-K603 HydrophobicContact CD1-CB 3.74Å; I579-K603 HydrophobicContact CD1-CD 3.64Å; I579-K603 HydrophobicContact CD1-CG 4.34Å; E582-K603 IonicContact OE1-NZ 2.68Å; E582-K603 PolarHBondContact OE1-NZ 3.11Å; T600-K603 PolarHBondContact N-O 3.21Å; T600-K603 WeakPolarHBondContact OG1-CA 3.16Å; T600-K603 WeakPolarHBondContact OG1-CB 3.42Å; T600-K603 PolarHBondContact OG1-N 2.81Å; T600-K603 PolarHBondContact OG1-O 2.96Å; K603-I616 CarbonylContact C-O 3.57Å; K603-I616 VanDerWaalsContact CA-O 3.29Å; K603-I616 WeakPolarHBondContact CA-O 3.19Å
604V93.4Very high91Very high1 Ų134.8 Ų34.81%0.00619%0.186CC..EExtended strand (participates in β ladder)trans-118.7128166.4-177.90000109V597 Q598 V599 I616 I624 L636 L646 L657V597-V604 HydrophobicContact CG1-CG1 3.81Å; Q598-V604 WeakPolarHBondContact O-CA 3.44Å; V599-V604 HydrophobicContact CG1-CG2 4.26Å; V599-V604 HydrophobicContact CG2-CG1 4.31Å; V599-V604 HydrophobicContact CG2-CG2 4.31Å; V604-I616 HydrophobicContact CB-CB 4.44Å; V604-I616 PolarHBondContact N-O 3.02Å; V604-I616 PolarHBondContact O-N 2.93Å; V604-I624 HydrophobicContact CG2-CD1 4.18Å; V604-L636 HydrophobicContact CG2-CD1 3.67Å; V604-L636 HydrophobicContact CG2-CD2 4Å; V604-L636 HydrophobicContact CG2-CG 4.49Å; V604-L646 HydrophobicContact CB-CD1 4.31Å; V604-L646 HydrophobicContact CG1-CD1 3.89Å; V604-L646 HydrophobicContact CG2-CD1 4.24Å; V604-L657 HydrophobicContact CG1-CD1 4.01Å
605V94.1Very high91.2Very high1 Ų136.1 Ų36.11%0.00619%0.192CC..EExtended strand (participates in β ladder)trans-120.9135.5-179.2-175.20000110.5I579 V597 Q598 I607 C612 Q614 Q615I579-V605 HydrophobicContact CD1-CG2 3.33Å; I579-V605 HydrophobicContact CG1-CG2 3.8Å; V597-V605 WeakPolarHBondContact CA-O 3.46Å; Q598-V605 PolarHBondContact N-O 2.74Å; Q598-V605 PolarHBondContact O-N 2.76Å; V605-I607 HydrophobicContact CG1-CD1 4.27Å; V605-I607 HydrophobicContact CG1-CG1 3.77Å; V605-C612 HydrophobicContact CG1-CB 4.08Å; V605-C612 WeakPolarHBondContact CG1-SG 3.38Å; V605-Q614 CarbonylContact C-O 3.59Å; V605-Q614 WeakPolarHBondContact CA-O 3.37Å; V605-Q615 HydrophobicContact CG2-CB 4.21Å; V605-Q615 HydrophobicContact CG2-CG 4Å
606L93.6Very high91.2Very high0 Ų036.9 Ų36.90%020%0.197CC..EExtended strand (participates in β ladder)trans-103.9126.9170.8-177.171000109L590 Y595 I596 V597 V613 Q614 L648 L657L590-L606 HydrophobicContact CD1-CD1 4.42Å; Y595-L606 HydrophobicContact CD1-CD1 3.91Å; Y595-L606 HydrophobicContact CD1-CD2 4.06Å; Y595-L606 HydrophobicContact CD1-CG 3.91Å; Y595-L606 HydrophobicContact CE1-CD2 4.41Å; Y595-L606 HydrophobicContact CG-CD1 4.34Å; I596-L606 CarbonylContact O-C 3.52Å; I596-L606 WeakPolarHBondContact O-CA 3.39Å; V597-L606 HydrophobicContact CG2-CD1 3.69Å; L606-V613 HydrophobicContact CD2-CG1 4.47Å; L606-V613 PolarHBondContact O-N 3.34Å; L606-Q614 HydrophobicContact CB-CB 4.15Å; L606-Q614 PolarHBondContact N-O 2.8Å; L606-Q614 PolarHBondContact O-N 3.08Å; L606-L648 HydrophobicContact CD1-CD1 3.92Å; L606-L648 HydrophobicContact CD2-CD1 3.76Å; L606-L657 HydrophobicContact CB-CD1 4.1Å; L606-L657 HydrophobicContact CB-CG 4.4Å; L606-L657 HydrophobicContact CD1-CD1 4.45Å; L606-L657 HydrophobicContact CD1-CG 4.35Å; L606-L657 HydrophobicContact CD2-CG 4.37Å
607I91.8Very high91Very high0 Ų040.1 Ų40.10%022%0.22CC..EExtended strand (participates in β ladder)trans-124.1140.3-172.1-56.9168.3000109.2G577 F578 Y595 I596 V605 L611G577-I607 WeakPolarHBondContact O-CD1 3.48Å; F578-I607 HydrophobicContact CB-CD1 4.16Å; F578-I607 HydrophobicContact CD1-CD1 3.11Å; F578-I607 HydrophobicContact CD2-CD1 4.08Å; F578-I607 HydrophobicContact CE1-CD1 3.35Å; F578-I607 HydrophobicContact CE2-CD1 4.27Å; F578-I607 HydrophobicContact CE2-CG2 4.49Å; F578-I607 HydrophobicContact CG-CD1 3.52Å; F578-I607 HydrophobicContact CZ-CD1 3.93Å; F578-I607 HydrophobicContact CZ-CG2 4.45Å; Y595-I607 WeakPolarHBondContact CA-O 3.25Å; I596-I607 HydrophobicContact CB-CB 4.29Å; I596-I607 PolarHBondContact N-O 2.96Å; I596-I607 PolarHBondContact O-N 2.8Å; V605-I607 HydrophobicContact CG1-CD1 4.27Å; V605-I607 HydrophobicContact CG1-CG1 3.77Å; I607-L611 VanDerWaalsContact CA-O 3.28Å; I607-L611 WeakPolarHBondContact CA-O 3.35Å; I607-L611 WeakPolarHBondContact CG2-O 3.38Å
608H89.7Confident90.5Very high36 Ų3641.7 Ų41.717%0.16723%0.228CC..EExtended strand (participates in β ladder)trans-140.4130.8175.8-177.9-114000108E594 Y595 S610 L611 V613E594-H608 IonicContact OE1-CD2 3.82Å; E594-H608 IonicContact OE1-CE1 2.91Å; E594-H608 IonicContact OE1-NE2 2.62Å; E594-H608 PolarHBondContact OE1-NE2 2.88Å; Y595-H608 HydrophobicContact CD1-CB 3.9Å; Y595-H608 HydrophobicContact CE1-CB 3.57Å; Y595-H608 AromaticContact CE1-CD2 3.8Å; Y595-H608 AromaticContact CE1-CG 3.79Å; Y595-H608 AromaticContact CE2-CD2 3.77Å; Y595-H608 AromaticContact CZ-CD2 3.54Å; Y595-H608 AromaticContact CZ-CG 3.86Å; H608-S610 VanDerWaalsContact C-N 3.29Å; H608-S610 PolarHBondContact O-N 2.8Å; H608-L611 PolarHBondContact N-O 2.89Å; H608-L611 WeakPolarHBondContact O-CB 3.07Å; H608-L611 PolarHBondContact O-N 2.8Å; H608-V613 HydrophobicContact CB-CG2 3.46Å; H608-V613 VanDerWaalsContact CB-CG2 3.46Å
609E82Confident89.7Confident148 Ų14844.8 Ų44.869%0.69225%0.25SS*.THydrogen-bonded Turntrans46.847.9-179.6-61.6-175.1164.200113.9L611E609-L611 PolarHBondContact O-N 2.79Å; E609-L611 VanDerWaalsContact O-N 3.13Å
610S82.1Confident88.4Confident43 Ų4350.3 Ų50.330%0.30129%0.289SS..THydrogen-bonded Turntrans65.37.3-177.4-51.20000115.8F552 G577 H608F552-S610 WeakPolarHBondContact CZ-OG 3.01Å; G577-S610 WeakPolarHBondContact CA-O 3.16Å; G577-S610 PolarHBondContact N-O 2.82Å; H608-S610 VanDerWaalsContact C-N 3.29Å; H608-S610 PolarHBondContact O-N 2.8Å
611L89Confident87.4Confident122 Ų12253.9 Ų53.964%0.63931%0.311SS*.EExtended strand (participates in β ladder)trans-109.4136.6178.5-64.5170.6000111.5I607 H608 E609 V613I607-L611 VanDerWaalsContact CA-O 3.28Å; I607-L611 WeakPolarHBondContact CA-O 3.35Å; I607-L611 WeakPolarHBondContact CG2-O 3.38Å; H608-L611 PolarHBondContact N-O 2.89Å; H608-L611 WeakPolarHBondContact O-CB 3.07Å; H608-L611 PolarHBondContact O-N 2.8Å; E609-L611 PolarHBondContact O-N 2.79Å; E609-L611 VanDerWaalsContact O-N 3.13Å; L611-V613 PolarHBondContact O-N 2.84Å
612C89.3Confident86.8Confident59 Ų5955.6 Ų55.640%0.39931%0.314SS..EExtended strand (participates in β ladder)trans-71.1109.8171.7168.60000110.1V605V605-C612 HydrophobicContact CG1-CB 4.08Å; V605-C612 WeakPolarHBondContact CG1-SG 3.38Å
613V89.1Confident86.7Confident56 Ų5656.3 Ų56.334%0.33932%0.316SS..EExtended strand (participates in β ladder)trans-83.1-38.7179.4179.10000111.6Y595 L606 H608 L611Y595-V613 HydrophobicContact CE1-CG2 4.37Å; L606-V613 HydrophobicContact CD2-CG1 4.47Å; L606-V613 PolarHBondContact O-N 3.34Å; H608-V613 HydrophobicContact CB-CG2 3.46Å; H608-V613 VanDerWaalsContact CB-CG2 3.46Å; L611-V613 PolarHBondContact O-N 2.84Å
614Q91.6Very high86.6Confident42 Ų4253.9 Ų53.920%0.19631%0.305CS..EExtended strand (participates in β ladder)trans-151.5133.7-177.9-177.3-178.5-0.700110.2V605 L606 I616 R656 L657V605-Q614 CarbonylContact C-O 3.59Å; V605-Q614 WeakPolarHBondContact CA-O 3.37Å; L606-Q614 HydrophobicContact CB-CB 4.15Å; L606-Q614 PolarHBondContact N-O 2.8Å; L606-Q614 PolarHBondContact O-N 3.08Å; Q614-I616 HydrophobicContact CG-CG1 4.31Å; Q614-R656 VanDerWaalsContact OE1-CA 3.23Å; Q614-R656 VanDerWaalsContact OE1-CB 3.28Å; Q614-L657 PolarHBondContact NE2-O 3.34Å
615Q91.8Very high86.4Confident102 Ų10257.1 Ų57.148%0.47733%0.328SS..EExtended strand (participates in β ladder)trans-119.9126.5171.5175.7177.9-37.500109.3V605 S617V605-Q615 HydrophobicContact CG2-CB 4.21Å; V605-Q615 HydrophobicContact CG2-CG 4Å; Q615-S617 PolarHBondContact NE2-OG 2.97Å
616I91.1Very high86.3Confident33 Ų3357.9 Ų57.917%0.16933%0.331CS..EExtended strand (participates in β ladder)trans-110113174.7-57.6173.8000106.5K603 V604 Q614 L646 L657K603-I616 CarbonylContact C-O 3.57Å; K603-I616 VanDerWaalsContact CA-O 3.29Å; K603-I616 WeakPolarHBondContact CA-O 3.19Å; V604-I616 HydrophobicContact CB-CB 4.44Å; V604-I616 PolarHBondContact N-O 3.02Å; V604-I616 PolarHBondContact O-N 2.93Å; Q614-I616 HydrophobicContact CG-CG1 4.31Å; I616-L646 HydrophobicContact CD1-CD1 4.42Å; I616-L646 HydrophobicContact CD1-CD2 4Å; I616-L657 HydrophobicContact CD1-CB 4Å
617S88.7Confident86.2Confident74 Ų7458.2 Ų58.252%0.51733%0.334SS..EExtended strand (participates in β ladder)trans-98.2126175.1-52.10000108.9Q615Q615-S617 PolarHBondContact NE2-OG 2.97Å
618L84.3Confident86.3Confident33 Ų3358.9 Ų58.917%0.17334%0.34CS..PPolyproline II helixtrans-87.7156.5176-64.8171.5000110.3S602 I624 L636 L644S602-L618 PolarHBondContact O-N 2.73Å; L618-I624 HydrophobicContact CD1-CD1 3.41Å; L618-I624 VanDerWaalsContact CD1-CD1 3.41Å; L618-I624 HydrophobicContact CD1-CG1 3.62Å; L618-L636 HydrophobicContact CD1-CD1 4.23Å; L618-L644 HydrophobicContact CD1-CD1 4.01Å; L618-L644 HydrophobicContact CD2-CD1 3.86Å
619S79.3Confident86.5Confident65 Ų6558.7 Ų58.746%0.45534%0.34SS..PPolyproline II helixtrans-68.1152.6173.958.20000111T621 Y622S619-T621 PolarHBondContact O-N 2.87Å; S619-T621 PolarHBondContact OG-OG1 3.42Å; S619-Y622 PolarHBondContact O-N 2.9Å; S619-Y622 WeakPolarHBondContact OG-CD2 3.27Å; S619-Y622 VanDerWaalsContact OG-CE2 3.27Å; S619-Y622 WeakPolarHBondContact OG-CE2 3.34Å
620S67.1Low87Confident116 Ų11653.2 Ų53.281%0.81132%0.316SS*.THydrogen-bonded Turntrans-58.3-11.5-17858.90000114.9
621T73Confident87.4Confident75 Ų7553 Ų5346%0.4631%0.312SS..THydrogen-bonded Turntrans-80.5-11.9174.753.40000114S619 Y640S619-T621 PolarHBondContact O-N 2.87Å; S619-T621 PolarHBondContact OG-OG1 3.42Å; T621-Y640 WeakPolarHBondContact O-CE2 3.44Å
622Y77.7Confident87.6Confident69 Ų6948.3 Ų48.327%0.27129%0.289SS..  trans-119.661.2-175.2-59.8-61.5000110.9S619 I624 T638 R642S619-Y622 PolarHBondContact O-N 2.9Å; S619-Y622 WeakPolarHBondContact OG-CD2 3.27Å; S619-Y622 VanDerWaalsContact OG-CE2 3.27Å; S619-Y622 WeakPolarHBondContact OG-CE2 3.34Å; Y622-I624 PolarHBondContact O-N 3.23Å; Y622-I624 VanDerWaalsContact O-N 3.16Å; Y622-T638 HydrophobicContact CD1-CG2 4.25Å; Y622-R642 PolarHBondContact OH-NH1 3.12Å
623V89.3Confident87.9Confident53 Ų5345.8 Ų45.832%0.32127%0.271SS..  trans-62.8118174.1-1760000108.5P601 C625 T638 E639P601-V623 HydrophobicContact CB-CG1 4.02Å; V623-C625 PolarHBondContact O-N 3.34Å; V623-T638 CarbonylContact O-C 3.55Å; V623-T638 VanDerWaalsContact O-CA 3.24Å; V623-T638 WeakPolarHBondContact O-CA 3.47Å; V623-E639 HydrophobicContact CB-CG 4.23Å; V623-E639 PolarHBondContact O-N 2.79Å
624I90.2Very high88.1Confident3 Ų343.1 Ų43.12%0.01526%0.255CS..EExtended strand (participates in β ladder)trans-73.7117.7176.8-59.7158.2000108V599 T600 P601 V604 L618 Y622 D626 L636V599-I624 HydrophobicContact CG1-CD1 3.88Å; V599-I624 HydrophobicContact CG1-CG2 3.88Å; T600-I624 WeakPolarHBondContact O-CD1 3.47Å; P601-I624 PolarHBondContact O-N 2.8Å; V604-I624 HydrophobicContact CG2-CD1 4.18Å; L618-I624 HydrophobicContact CD1-CD1 3.41Å; L618-I624 VanDerWaalsContact CD1-CD1 3.41Å; L618-I624 HydrophobicContact CD1-CG1 3.62Å; Y622-I624 PolarHBondContact O-N 3.23Å; Y622-I624 VanDerWaalsContact O-N 3.16Å; I624-D626 WeakPolarHBondContact CG2-O 3.08Å; I624-L636 HydrophobicContact CD1-CD1 4.11Å; I624-L636 HydrophobicContact CG1-CB 4.48Å; I624-L636 HydrophobicContact CG2-CB 4.41Å
625C89.5Confident88.2Confident70 Ų7041.1 Ų41.147%0.47325%0.245SC..EExtended strand (participates in β ladder)trans-97.4-25176.665.10000112.4V623 L637 T638V623-C625 PolarHBondContact O-N 3.34Å; C625-L637 PolarHBondContact N-O 2.81Å; C625-L637 PolarHBondContact SG-O 3.4Å; C625-L637 VanDerWaalsContact SG-O 3.35Å; C625-T638 PolarHBondContact SG-O 3.12Å
626D91.3Very high88.2Confident16 Ų1636.4 Ų36.49%0.08622%0.223CC..EExtended strand (participates in β ladder)trans-155160-178.8-169.424.4000111.7I624 L637 K927I624-D626 WeakPolarHBondContact CG2-O 3.08Å; D626-L637 HydrophobicContact CB-CB 4.16Å; D626-L637 HydrophobicContact CB-CD2 4.23Å; D626-L637 PolarHBondContact N-O 2.92Å; D626-L637 PolarHBondContact O-N 2.82Å; D626-K927 VanDerWaalsContact CG-NZ 3.26Å; D626-K927 WeakPolarHBondContact OD1-CE 3.35Å; D626-K927 IonicContact OD1-NZ 3.24Å; D626-K927 PolarHBondContact OD1-NZ 2.84Å; D626-K927 WeakPolarHBondContact OD2-CE 3.37Å; D626-K927 IonicContact OD2-NZ 2.79Å; D626-K927 PolarHBondContact OD2-NZ 3.11Å
627A92.9Very high88.3Confident7 Ų735 Ų356%0.05822%0.216CC..EExtended strand (participates in β ladder)trans-152.9153.3176.300000112V586 V599 V635 L636V586-A627 HydrophobicContact CB-CB 4.18Å; V586-A627 HydrophobicContact CG2-CB 4.16Å; V586-A627 WeakPolarHBondContact CG2-O 3.44Å; V599-A627 HydrophobicContact CB-CB 4.48Å; V599-A627 HydrophobicContact CG1-CB 4.15Å; V599-A627 HydrophobicContact CG2-CB 4.33Å; A627-V635 CarbonylContact C-O 3.36Å; A627-V635 WeakPolarHBondContact CA-O 3.03Å; A627-V635 WeakPolarHBondContact CB-O 3.12Å; A627-L636 HydrophobicContact CB-CD2 3.95Å
628A93.3Very high88.4Confident14 Ų1431.5 Ų31.512%0.11619%0.192CC..EExtended strand (participates in β ladder)trans-122.6134.2172.100000109.5V634 V635 I675A628-V634 WeakPolarHBondContact O-CA 3.47Å; A628-V635 PolarHBondContact N-O 3.02Å; A628-V635 PolarHBondContact O-N 3.05Å; A628-I675 HydrophobicContact CB-CD1 4.05Å; A628-I675 HydrophobicContact CB-CG1 3.89Å; A628-I675 VanDerWaalsContact O-CD1 3.26Å; A628-I675 WeakPolarHBondContact O-CD1 3.48Å
629I94.3Very high88.6Confident33 Ų3334.8 Ų34.817%0.16921%0.206CC..EExtended strand (participates in β ladder)trans-124.4118.7-178.2-58.6-179.6000108.2V586 L590 V597 V599 V634V586-I629 HydrophobicContact CB-CD1 4.49Å; V586-I629 HydrophobicContact CG1-CD1 3.67Å; V586-I629 HydrophobicContact CG1-CG1 4.02Å; L590-I629 HydrophobicContact CD2-CG2 4.05Å; V597-I629 HydrophobicContact CB-CD1 4.39Å; V597-I629 HydrophobicContact CG1-CD1 4.36Å; V599-I629 HydrophobicContact CG2-CD1 4.49Å; I629-V634 HydrophobicContact CG1-CG1 4.21Å; I629-V634 HydrophobicContact CG1-CG2 4.27Å; I629-V634 HydrophobicContact CG2-CG2 4.18Å
630T92.9Very high88.9Confident32 Ų3239.1 Ų39.120%0.19621%0.214CC..EExtended strand (participates in β ladder)trans-144.1111.3175.4-62.20000108Y633 I675 K677 Y804T630-Y633 CarbonylContact C-O 3.54Å; T630-Y633 PolarHBondContact N-O 3.39Å; T630-Y633 WeakPolarHBondContact O-CA 3.47Å; T630-Y633 PolarHBondContact O-N 2.97Å; T630-I675 HydrophobicContact CG2-CG2 4.15Å; T630-I675 PolarHBondContact OG1-O 2.79Å; T630-K677 HydrophobicContact CG2-CB 3.62Å; T630-Y804 HydrophobicContact CG2-CD1 4.43Å; T630-Y804 HydrophobicContact CG2-CE1 4.37Å
631D90.3Very high89.9Confident38 Ų3834 Ų3420%0.20318%0.179CC..THydrogen-bonded Turntrans-47.5120.4-175.9-172.912.7000112.9L590 L591 E592 Y804L590-D631 HydrophobicContact CD2-CB 4.13Å; L591-D631 WeakPolarHBondContact CA-OD2 3.34Å; L591-D631 PolarHBondContact N-OD1 3.49Å; L591-D631 PolarHBondContact N-OD2 2.96Å; E592-D631 PolarHBondContact N-OD2 2.84Å; D631-Y804 WeakPolarHBondContact O-CE1 3.47Å; D631-Y804 PolarHBondContact O-OH 3.33Å
632P92.8Very high90.7Very high24 Ų2435.3 Ų35.316%0.15618%0.176CC..THydrogen-bonded Turncis-102.314.89.339.4-37.1000116.2L648P632-L648 HydrophobicContact CB-CB 4.16Å; P632-L648 PolarHBondContact O-N 2.89Å
633Y94.7Very high91.3Very high6 Ų632.6 Ų32.62%0.02417%0.166CC..EExtended strand (participates in β ladder)trans-100.4146.3-174.7-62.8-81.4000113.2T630 L646 K647 Y804 L820 P821T630-Y633 CarbonylContact C-O 3.54Å; T630-Y633 PolarHBondContact N-O 3.39Å; T630-Y633 WeakPolarHBondContact O-CA 3.47Å; T630-Y633 PolarHBondContact O-N 2.97Å; Y633-L646 WeakPolarHBondContact CA-O 3.49Å; Y633-K647 HydrophobicContact CD1-CB 3.93Å; Y633-K647 HydrophobicContact CD1-CD 4.35Å; Y633-K647 HydrophobicContact CD1-CG 3.96Å; Y633-K647 HydrophobicContact CE1-CB 3.95Å; Y633-K647 HydrophobicContact CE1-CD 3.58Å; Y633-K647 HydrophobicContact CE1-CG 3.69Å; Y633-K647 PolarHBondContact OH-NZ 2.93Å; Y633-Y804 AromaticContact CD2-CD1 3.92Å; Y633-Y804 HydrophobicContact CD2-CD1 3.92Å; Y633-Y804 HydrophobicContact CD2-CD2 4.46Å; Y633-Y804 AromaticContact CD2-CG 3.88Å; Y633-Y804 HydrophobicContact CD2-CG 3.88Å; Y633-Y804 HydrophobicContact CE2-CD1 4.1Å; Y633-Y804 AromaticContact CE2-CD2 3.82Å; Y633-Y804 HydrophobicContact CE2-CD2 3.82Å; Y633-Y804 HydrophobicContact CE2-CE2 4.48Å; Y633-Y804 AromaticContact CE2-CG 3.6Å; Y633-Y804 HydrophobicContact CE2-CG 3.6Å; Y633-L820 HydrophobicContact CD1-CD1 4.27Å; Y633-L820 HydrophobicContact CD2-CD1 4.1Å; Y633-L820 HydrophobicContact CE1-CB 4.18Å; Y633-L820 HydrophobicContact CE2-CB 4.08Å; Y633-L820 HydrophobicContact CE2-CD1 4.46Å; Y633-L820 HydrophobicContact CG-CD1 4Å; Y633-P821 HydrophobicContact CE1-CB 4.27Å; Y633-P821 WeakPolarHBondContact OH-CB 3.34Å
634V94Very high91.3Very high0 Ų030.2 Ų30.20%015%0.152CC..EExtended strand (participates in β ladder)trans-131.7122.1172.31750000107.8L590 V597 V599 A628 I629 L636 L646L590-V634 HydrophobicContact CD1-CG2 4.32Å; L590-V634 HydrophobicContact CD2-CG2 4.45Å; V597-V634 HydrophobicContact CB-CG2 4.46Å; V597-V634 HydrophobicContact CG1-CG1 4.41Å; V597-V634 HydrophobicContact CG1-CG2 4.2Å; V597-V634 HydrophobicContact CG2-CG2 4.27Å; V599-V634 HydrophobicContact CG2-CG1 4.41Å; A628-V634 WeakPolarHBondContact O-CA 3.47Å; I629-V634 HydrophobicContact CG1-CG1 4.21Å; I629-V634 HydrophobicContact CG1-CG2 4.27Å; I629-V634 HydrophobicContact CG2-CG2 4.18Å; V634-L636 HydrophobicContact CG1-CD2 3.93Å; V634-L646 HydrophobicContact CB-CB 4.14Å; V634-L646 HydrophobicContact CG1-CD1 4.29Å; V634-L646 PolarHBondContact N-O 3.5Å; V634-L646 PolarHBondContact O-N 2.74Å
635V93.5Very high91.4Very high0 Ų030.1 Ų30.10%015%0.151CC..EExtended strand (participates in β ladder)trans-113.6132.5179173.70000108.7A627 A628 I643 L644 V645 V673 I675 L806A627-V635 CarbonylContact C-O 3.36Å; A627-V635 WeakPolarHBondContact CA-O 3.03Å; A627-V635 WeakPolarHBondContact CB-O 3.12Å; A628-V635 PolarHBondContact N-O 3.02Å; A628-V635 PolarHBondContact O-N 3.05Å; V635-I643 HydrophobicContact CG1-CG2 3.51Å; V635-L644 CarbonylContact C-O 3.59Å; V635-L644 WeakPolarHBondContact CA-O 3.32Å; V635-V645 HydrophobicContact CG1-CG2 4.35Å; V635-V645 HydrophobicContact CG2-CB 4.25Å; V635-V645 HydrophobicContact CG2-CG1 3.69Å; V635-V645 HydrophobicContact CG2-CG2 3.84Å; V635-V673 HydrophobicContact CG1-CG2 4.25Å; V635-I675 HydrophobicContact CB-CD1 3.79Å; V635-I675 HydrophobicContact CB-CG1 4.07Å; V635-I675 HydrophobicContact CG2-CD1 3.4Å; V635-I675 HydrophobicContact CG2-CG1 3.63Å; V635-L806 HydrophobicContact CG1-CD1 4.14Å; V635-L806 HydrophobicContact CG2-CD1 4.06Å; V635-L806 HydrophobicContact CG2-CD2 4.46Å
636L93Very high91.5Very high3 Ų326.9 Ų26.92%0.01613%0.129CC..EExtended strand (participates in β ladder)trans-113.1138.2179.6-43.7171.5000109V599 V604 L618 I624 A627 V634 I643 L644 L646V599-L636 HydrophobicContact CG1-CD2 3.77Å; V599-L636 HydrophobicContact CG2-CD2 3.93Å; V604-L636 HydrophobicContact CG2-CD1 3.67Å; V604-L636 HydrophobicContact CG2-CD2 4Å; V604-L636 HydrophobicContact CG2-CG 4.49Å; L618-L636 HydrophobicContact CD1-CD1 4.23Å; I624-L636 HydrophobicContact CD1-CD1 4.11Å; I624-L636 HydrophobicContact CG1-CB 4.48Å; I624-L636 HydrophobicContact CG2-CB 4.41Å; A627-L636 HydrophobicContact CB-CD2 3.95Å; V634-L636 HydrophobicContact CG1-CD2 3.93Å; L636-I643 WeakPolarHBondContact O-CA 3.32Å; L636-L644 HydrophobicContact CB-CB 4.17Å; L636-L644 HydrophobicContact CD1-CB 4.24Å; L636-L644 HydrophobicContact CD1-CD1 4.38Å; L636-L644 HydrophobicContact CG-CB 4.49Å; L636-L644 PolarHBondContact N-O 2.74Å; L636-L644 PolarHBondContact O-N 2.85Å; L636-L646 HydrophobicContact CD1-CD1 4.04Å; L636-L646 HydrophobicContact CG-CD1 4.47Å
637L92.3Very high91.6Very high4 Ų429.1 Ų29.12%0.02114%0.138CC..EExtended strand (participates in β ladder)trans-114.8126.4173.2-179.365.1000109C625 D626 R642 I643 A670 V673C625-L637 PolarHBondContact N-O 2.81Å; C625-L637 PolarHBondContact SG-O 3.4Å; C625-L637 VanDerWaalsContact SG-O 3.35Å; D626-L637 HydrophobicContact CB-CB 4.16Å; D626-L637 HydrophobicContact CB-CD2 4.23Å; D626-L637 PolarHBondContact N-O 2.92Å; D626-L637 PolarHBondContact O-N 2.82Å; L637-R642 WeakPolarHBondContact CA-O 3.26Å; L637-I643 HydrophobicContact CD1-CG1 4.22Å; L637-A670 HydrophobicContact CD1-CB 3.72Å; L637-V673 HydrophobicContact CB-CG2 4.08Å; L637-V673 HydrophobicContact CD1-CG1 4.44Å; L637-V673 HydrophobicContact CD2-CG2 4.46Å
638T91.1Very high91.5Very high1 Ų129.4 Ų29.41%0.00614%0.138CC..EExtended strand (participates in β ladder)trans-90.7160.9176.970.40000111.8Y622 V623 C625 Y640 G641 R642 L644Y622-T638 HydrophobicContact CD1-CG2 4.25Å; V623-T638 CarbonylContact O-C 3.55Å; V623-T638 VanDerWaalsContact O-CA 3.24Å; V623-T638 WeakPolarHBondContact O-CA 3.47Å; C625-T638 PolarHBondContact SG-O 3.12Å; T638-Y640 PolarHBondContact O-N 2.8Å; T638-Y640 VanDerWaalsContact O-N 3.08Å; T638-G641 WeakPolarHBondContact O-CA 3.46Å; T638-G641 PolarHBondContact O-N 2.6Å; T638-R642 HydrophobicContact CG2-CB 4.43Å; T638-R642 PolarHBondContact N-O 3.29Å; T638-R642 WeakPolarHBondContact OG1-CB 3.41Å; T638-R642 PolarHBondContact OG1-N 2.87Å; T638-R642 VanDerWaalsContact OG1-N 3.13Å; T638-R642 PolarHBondContact OG1-O 3.19Å; T638-L644 HydrophobicContact CG2-CD1 4.49Å
639E87.8Confident91.4Very high102 Ų10230.9 Ų30.948%0.47715%0.146SC..THydrogen-bonded Turntrans-56.6-24.7177.466.9-179.3176.700114.3V623 G641V623-E639 HydrophobicContact CB-CG 4.23Å; V623-E639 PolarHBondContact O-N 2.79Å; E639-G641 VanDerWaalsContact C-N 3.32Å
640Y87.1Confident91.2Very high155 Ų15532.7 Ų32.761%0.60816%0.158SC*.THydrogen-bonded Turntrans-89.76.5176-60.8-74.5000113.4T621 T638T621-Y640 WeakPolarHBondContact O-CE2 3.44Å; T638-Y640 PolarHBondContact O-N 2.8Å; T638-Y640 VanDerWaalsContact O-N 3.08Å
641G88.1Confident90.7Very high9 Ų936.7 Ų36.79%0.09317%0.173CC..SBendtrans76.122.5178.600000115T638 E639 A670T638-G641 WeakPolarHBondContact O-CA 3.46Å; T638-G641 PolarHBondContact O-N 2.6Å; E639-G641 VanDerWaalsContact C-N 3.32Å; G641-A670 WeakPolarHBondContact CA-O 3.44Å; G641-A670 PolarHBondContact O-N 2.81Å
642R89.4Confident90.4Very high102 Ų10242.9 Ų42.939%0.38521%0.205SC..  trans-85.9144.4170.8-67.5-169.4179.7-168.4-1111Y622 L637 T638Y622-R642 PolarHBondContact OH-NH1 3.12Å; L637-R642 WeakPolarHBondContact CA-O 3.26Å; T638-R642 HydrophobicContact CG2-CB 4.43Å; T638-R642 PolarHBondContact N-O 3.29Å; T638-R642 WeakPolarHBondContact OG1-CB 3.41Å; T638-R642 PolarHBondContact OG1-N 2.87Å; T638-R642 VanDerWaalsContact OG1-N 3.13Å; T638-R642 PolarHBondContact OG1-O 3.19Å
643I90Very high89.7Confident13 Ų1349.2 Ų49.27%0.06724%0.238CC..EExtended strand (participates in β ladder)trans-110124.6-178.4-56.8175.4000109V635 L636 L637 V645 Q666 A670 V673 L806 V808V635-I643 HydrophobicContact CG1-CG2 3.51Å; L636-I643 WeakPolarHBondContact O-CA 3.32Å; L637-I643 HydrophobicContact CD1-CG1 4.22Å; I643-V645 HydrophobicContact CG2-CG2 4Å; I643-Q666 PolarHBondContact O-NE2 3.2Å; I643-A670 HydrophobicContact CD1-CB 3.71Å; I643-A670 HydrophobicContact CG1-CB 3.84Å; I643-V673 HydrophobicContact CD1-CG1 3.85Å; I643-V673 HydrophobicContact CG1-CG1 4.15Å; I643-L806 HydrophobicContact CG2-CD2 4.41Å; I643-V808 HydrophobicContact CD1-CB 4.27Å; I643-V808 HydrophobicContact CD1-CG1 3.56Å; I643-V808 HydrophobicContact CD1-CG2 3.64Å
644L89.7Confident89.2Confident3 Ų355.3 Ų55.32%0.01626%0.264CS..EExtended strand (participates in β ladder)trans-114136173.6-53.6175.7000108.8L618 V635 L636 T638 Y659L618-L644 HydrophobicContact CD1-CD1 4.01Å; L618-L644 HydrophobicContact CD2-CD1 3.86Å; V635-L644 CarbonylContact C-O 3.59Å; V635-L644 WeakPolarHBondContact CA-O 3.32Å; L636-L644 HydrophobicContact CB-CB 4.17Å; L636-L644 HydrophobicContact CD1-CB 4.24Å; L636-L644 HydrophobicContact CD1-CD1 4.38Å; L636-L644 HydrophobicContact CG-CB 4.49Å; L636-L644 PolarHBondContact N-O 2.74Å; L636-L644 PolarHBondContact O-N 2.85Å; T638-L644 HydrophobicContact CG2-CD1 4.49Å; L644-Y659 HydrophobicContact CB-CE2 4.37Å; L644-Y659 HydrophobicContact CD1-CE2 4.42Å; L644-Y659 HydrophobicContact CD2-CE2 4.14Å; L644-Y659 WeakPolarHBondContact CD2-OH 3.43Å
645V90.7Very high89Confident0 Ų058.6 Ų58.60%028%0.277CS..EExtended strand (participates in β ladder)trans-124.1129-177.8-169.40000111.2V635 I643 S660 L806 Y823V635-V645 HydrophobicContact CG1-CG2 4.35Å; V635-V645 HydrophobicContact CG2-CB 4.25Å; V635-V645 HydrophobicContact CG2-CG1 3.69Å; V635-V645 HydrophobicContact CG2-CG2 3.84Å; I643-V645 HydrophobicContact CG2-CG2 4Å; V645-S660 PolarHBondContact N-O 3.33Å; V645-S660 VanDerWaalsContact N-O 3.12Å; V645-S660 PolarHBondContact O-N 2.99Å; V645-S660 PolarHBondContact O-OG 3.13Å; V645-L806 HydrophobicContact CG2-CD2 4.41Å; V645-Y823 HydrophobicContact CB-CE1 3.99Å; V645-Y823 WeakPolarHBondContact CB-OH 3.48Å; V645-Y823 HydrophobicContact CG1-CE1 4.12Å; V645-Y823 WeakPolarHBondContact CG1-OH 3.33Å; V645-Y823 HydrophobicContact CG2-CE1 3.7Å
646L92.2Very high88.8Confident2 Ų264.6 Ų64.61%0.0130%0.3CS..EExtended strand (participates in β ladder)trans-114.2144.3178.8-55.9169.5000108.5V604 I616 Y633 V634 L636 L657 S658 Y659V604-L646 HydrophobicContact CB-CD1 4.31Å; V604-L646 HydrophobicContact CG1-CD1 3.89Å; V604-L646 HydrophobicContact CG2-CD1 4.24Å; I616-L646 HydrophobicContact CD1-CD1 4.42Å; I616-L646 HydrophobicContact CD1-CD2 4Å; Y633-L646 WeakPolarHBondContact CA-O 3.49Å; V634-L646 HydrophobicContact CB-CB 4.14Å; V634-L646 HydrophobicContact CG1-CD1 4.29Å; V634-L646 PolarHBondContact N-O 3.5Å; V634-L646 PolarHBondContact O-N 2.74Å; L636-L646 HydrophobicContact CD1-CD1 4.04Å; L636-L646 HydrophobicContact CG-CD1 4.47Å; L646-L657 HydrophobicContact CB-CD2 4.44Å; L646-L657 HydrophobicContact CD1-CD1 4.4Å; L646-S658 VanDerWaalsContact CA-O 3.3Å; L646-S658 WeakPolarHBondContact CA-O 3.4Å; L646-Y659 HydrophobicContact CD2-CD2 3.83Å; L646-Y659 HydrophobicContact CD2-CG 4.4Å
647K92.6Very high88.7Confident64 Ų6464.8 Ų64.828%0.27830%0.301SS..EExtended strand (participates in β ladder)trans-129.3136.1174.1-177.2-176.6-177.6164.40109.7Y633 V649 L657 S658Y633-K647 HydrophobicContact CD1-CB 3.93Å; Y633-K647 HydrophobicContact CD1-CD 4.35Å; Y633-K647 HydrophobicContact CD1-CG 3.96Å; Y633-K647 HydrophobicContact CE1-CB 3.95Å; Y633-K647 HydrophobicContact CE1-CD 3.58Å; Y633-K647 HydrophobicContact CE1-CG 3.69Å; Y633-K647 PolarHBondContact OH-NZ 2.93Å; K647-V649 HydrophobicContact CB-CG2 4.25Å; K647-V649 HydrophobicContact CD-CG2 4.01Å; K647-V649 HydrophobicContact CG-CG2 3.95Å; K647-V649 PolarHBondContact O-N 3.45Å; K647-L657 CarbonylContact O-C 3.57Å; K647-L657 WeakPolarHBondContact O-CA 3.31Å; K647-S658 PolarHBondContact N-O 2.85Å; K647-S658 PolarHBondContact O-N 2.89Å; K647-S658 PolarHBondContact O-OG 2.98Å
648L92.6Very high88.5Confident12 Ų1266 Ų666%0.06331%0.31CS..EExtended strand (participates in β ladder)trans-72.6120.7169.6-165.371.3000109.9L590 L591 L606 P632 Y655 L657L590-L648 HydrophobicContact CB-CD2 3.92Å; L590-L648 HydrophobicContact CD1-CB 4.1Å; L590-L648 HydrophobicContact CD1-CD1 4.32Å; L590-L648 HydrophobicContact CD1-CD2 4.15Å; L590-L648 HydrophobicContact CD1-CG 4.43Å; L591-L648 HydrophobicContact CD1-CD2 3.88Å; L591-L648 HydrophobicContact CD2-CD2 4.36Å; L591-L648 HydrophobicContact CG-CD2 3.65Å; L606-L648 HydrophobicContact CD1-CD1 3.92Å; L606-L648 HydrophobicContact CD2-CD1 3.76Å; P632-L648 HydrophobicContact CB-CB 4.16Å; P632-L648 PolarHBondContact O-N 2.89Å; L648-Y655 HydrophobicContact CD2-CD1 4.02Å; L648-Y655 HydrophobicContact CG-CD1 4.07Å; L648-L657 HydrophobicContact CB-CD2 4.32Å; L648-L657 HydrophobicContact CD1-CD2 4.07Å; L648-L657 HydrophobicContact CD1-CG 4.47Å
649V91.3Very high88.1Confident46 Ų4671.6 Ų71.628%0.27933%0.331SS..EExtended strand (participates in β ladder)trans-133.3141.1-177.9-175.50000109K647 K651 R656 S658K647-V649 HydrophobicContact CB-CG2 4.25Å; K647-V649 HydrophobicContact CD-CG2 4.01Å; K647-V649 HydrophobicContact CG-CG2 3.95Å; K647-V649 PolarHBondContact O-N 3.45Å; V649-K651 HydrophobicContact CG1-CG 4.49Å; V649-K651 PolarHBondContact O-N 2.93Å; V649-R656 PolarHBondContact N-O 2.91Å; V649-R656 PolarHBondContact O-N 2.87Å; V649-R656 VanDerWaalsContact O-O 3.11Å; V649-S658 WeakPolarHBondContact CG2-OG 3.42Å
650V88.8Confident87.8Confident71 Ų7168.4 Ų68.443%0.4332%0.321SS..EExtended strand (participates in β ladder)trans-78.7119.4171-176.40000109Y655V650-Y655 HydrophobicContact CG2-CD1 3.47Å; V650-Y655 VanDerWaalsContact CG2-CD1 3.47Å; V650-Y655 HydrophobicContact CG2-CE1 3.1Å; V650-Y655 HydrophobicContact CG2-CE2 4.31Å; V650-Y655 HydrophobicContact CG2-CG 4.22Å
651K82.1Confident87.3Confident116 Ų11663.3 Ų63.350%0.50430%0.304SS..EExtended strand (participates in β ladder)trans-126117.7170.8-68.9-175178.3-1780108.5V649 K654V649-K651 HydrophobicContact CG1-CG 4.49Å; V649-K651 PolarHBondContact O-N 2.93Å; K651-K654 PolarHBondContact N-O 2.85Å; K651-K654 PolarHBondContact O-N 3.33Å; K651-K654 VanDerWaalsContact O-O 3.12Å
652L83.8Confident86.5Confident167 Ų16764 Ų6487%0.87431%0.307SS*.THydrogen-bonded Turntrans55.452.7-179.5-56.4166.7000112.4K654L652-K654 PolarHBondContact O-N 2.94Å
653D79.7Confident85.6Confident157 Ų15766.4 Ų66.484%0.8432%0.322SS*.THydrogen-bonded Turntrans56.716.1-177.1-58.7-26.2000115.6
654K83.7Confident84.2Confident134 Ų13469.7 Ų69.758%0.58335%0.351SS*.EExtended strand (participates in β ladder)trans-123.3132.5175.4-63.7-174.3-179-171.20110.6K651 L652K651-K654 PolarHBondContact N-O 2.85Å; K651-K654 PolarHBondContact O-N 3.33Å; K651-K654 VanDerWaalsContact O-O 3.12Å; L652-K654 PolarHBondContact O-N 2.94Å
655Y89.1Confident83.2Confident70 Ų7074 Ų7428%0.27537%0.368SS..EExtended strand (participates in β ladder)trans-74129.8173.5-67.8-86.4000110.5L591 Y595 L648 V650L591-Y655 HydrophobicContact CD1-CD1 3.52Å; L591-Y655 HydrophobicContact CD1-CD2 3.99Å; L591-Y655 HydrophobicContact CD1-CE1 3.18Å; L591-Y655 HydrophobicContact CD1-CE2 3.7Å; L591-Y655 HydrophobicContact CD1-CG 3.89Å; L591-Y655 HydrophobicContact CD2-CE1 4.1Å; L591-Y655 HydrophobicContact CG-CE1 4.19Å; Y595-Y655 HydrophobicContact CD2-CD2 4.44Å; Y595-Y655 HydrophobicContact CD2-CG 4.44Å; Y595-Y655 AromaticContact CE2-CD2 3.4Å; Y595-Y655 HydrophobicContact CE2-CD2 3.4Å; Y595-Y655 VanDerWaalsContact CE2-CD2 3.4Å; Y595-Y655 HydrophobicContact CE2-CE2 4.04Å; Y595-Y655 AromaticContact CE2-CG 3.74Å; Y595-Y655 HydrophobicContact CE2-CG 3.74Å; Y595-Y655 AromaticContact CZ-CD2 3.54Å; Y595-Y655 AromaticContact CZ-CG 3.86Å; Y595-Y655 WeakPolarHBondContact OH-CD2 3.36Å; L648-Y655 HydrophobicContact CD2-CD1 4.02Å; L648-Y655 HydrophobicContact CG-CD1 4.07Å; V650-Y655 HydrophobicContact CG2-CD1 3.47Å; V650-Y655 VanDerWaalsContact CG2-CD1 3.47Å; V650-Y655 HydrophobicContact CG2-CE1 3.1Å; V650-Y655 HydrophobicContact CG2-CE2 4.31Å; V650-Y655 HydrophobicContact CG2-CG 4.22Å
656R90.7Very high82.2Confident125 Ų12576.1 Ų76.147%0.47238%0.378SS..EExtended strand (participates in β ladder)trans-140.6147.1176.8-72.5-170.3173.5178.6-1.9110.4Q614 V649 S658Q614-R656 VanDerWaalsContact OE1-CA 3.23Å; Q614-R656 VanDerWaalsContact OE1-CB 3.28Å; V649-R656 PolarHBondContact N-O 2.91Å; V649-R656 PolarHBondContact O-N 2.87Å; V649-R656 VanDerWaalsContact O-O 3.11Å; R656-S658 PolarHBondContact O-N 2.82Å
657L90.6Very high81.4Confident7 Ų782.1 Ų82.14%0.03742%0.415CS..EExtended strand (participates in β ladder)trans-75.2116.4169.2-66.9172.9000109.3L590 V597 V604 L606 Q614 I616 L646 K647 L648L590-L657 HydrophobicContact CD1-CD2 4.17Å; V597-L657 HydrophobicContact CG2-CD1 4.16Å; V604-L657 HydrophobicContact CG1-CD1 4.01Å; L606-L657 HydrophobicContact CB-CD1 4.1Å; L606-L657 HydrophobicContact CB-CG 4.4Å; L606-L657 HydrophobicContact CD1-CD1 4.45Å; L606-L657 HydrophobicContact CD1-CG 4.35Å; L606-L657 HydrophobicContact CD2-CG 4.37Å; Q614-L657 PolarHBondContact NE2-O 3.34Å; I616-L657 HydrophobicContact CD1-CB 4Å; L646-L657 HydrophobicContact CB-CD2 4.44Å; L646-L657 HydrophobicContact CD1-CD1 4.4Å; K647-L657 CarbonylContact O-C 3.57Å; K647-L657 WeakPolarHBondContact O-CA 3.31Å; L648-L657 HydrophobicContact CB-CD2 4.32Å; L648-L657 HydrophobicContact CD1-CD2 4.07Å; L648-L657 HydrophobicContact CD1-CG 4.47Å
658S87.9Confident81.1Confident30 Ų3081 Ų8121%0.2141%0.413CS..EExtended strand (participates in β ladder)trans-89.5130.4170.764.80000110.6L646 K647 V649 R656L646-S658 VanDerWaalsContact CA-O 3.3Å; L646-S658 WeakPolarHBondContact CA-O 3.4Å; K647-S658 PolarHBondContact N-O 2.85Å; K647-S658 PolarHBondContact O-N 2.89Å; K647-S658 PolarHBondContact O-OG 2.98Å; V649-S658 WeakPolarHBondContact CG2-OG 3.42Å; R656-S658 PolarHBondContact O-N 2.82Å
659Y83.3Confident81Confident118 Ų11883.3 Ų83.346%0.46343%0.429SS..EExtended strand (participates in β ladder)trans-86134.3179.6177-93.2000112.2L644 L646 D661L644-Y659 HydrophobicContact CB-CE2 4.37Å; L644-Y659 HydrophobicContact CD1-CE2 4.42Å; L644-Y659 HydrophobicContact CD2-CE2 4.14Å; L644-Y659 WeakPolarHBondContact CD2-OH 3.43Å; L646-Y659 HydrophobicContact CD2-CD2 3.83Å; L646-Y659 HydrophobicContact CD2-CG 4.4Å; Y659-D661 HydrophobicContact CE1-CB 3.73Å; Y659-D661 PolarHBondContact OH-OD2 2.9Å
660S80.5Confident80.9Confident36 Ų3681.4 Ų81.425%0.25242%0.418SS..EExtended strand (participates in β ladder)trans-134.8130.2170.353.10000109.9V645 Y823V645-S660 PolarHBondContact N-O 3.33Å; V645-S660 VanDerWaalsContact N-O 3.12Å; V645-S660 PolarHBondContact O-N 2.99Å; V645-S660 PolarHBondContact O-OG 3.13Å; S660-Y823 PolarHBondContact OG-OH 3.35Å
661D76Confident81.1Confident48 Ų4880.8 Ų80.826%0.25742%0.415SS..  trans-115.6106.8178.4-163.4-15.6000109.2Y659 E663 Q666Y659-D661 HydrophobicContact CE1-CB 3.73Å; Y659-D661 PolarHBondContact OH-OD2 2.9Å; D661-E663 PolarHBondContact O-N 3.18Å; D661-Q666 PolarHBondContact OD1-NE2 2.98Å
662P72.5Confident81.6Confident23 Ų2375.3 Ų75.315%0.14939%0.391CS..  trans-80.868.8179.631.9-32.8000111A664 Y665 Y823P662-A664 PolarHBondContact O-N 3.29Å; P662-A664 VanDerWaalsContact O-N 3.11Å; P662-Y665 HydrophobicContact CB-CD2 4.38Å; P662-Y665 PolarHBondContact O-N 2.91Å; P662-Y665 VanDerWaalsContact O-N 3.16Å; P662-Y823 HydrophobicContact CB-CD1 4.43Å; P662-Y823 HydrophobicContact CB-CG 4.39Å
663E69.2Low82.1Confident152 Ų15267.5 Ų67.571%0.7135%0.35SS*.G310 helixtrans-53.2-34.8-177.5-67.8-174.7168.400113.3D661 Y665 Q666D661-E663 PolarHBondContact O-N 3.18Å; E663-Y665 PolarHBondContact O-N 3.23Å; E663-Y665 VanDerWaalsContact O-N 3.1Å; E663-Q666 PolarHBondContact O-N 3.49Å
664A61.4Low82.8Confident82 Ų8260.3 Ų60.368%0.67831%0.312SS*.G310 helixtrans-60.9-21.2-177.100000114.3P662P662-A664 PolarHBondContact O-N 3.29Å; P662-A664 VanDerWaalsContact O-N 3.11Å
665Y68.2Low83.4Confident95 Ų9554.1 Ų54.137%0.37329%0.285SS..G310 helixtrans-117.726.1-173.3-55.3-74.3000113P662 E663 R810 F818 Y823P662-Y665 HydrophobicContact CB-CD2 4.38Å; P662-Y665 PolarHBondContact O-N 2.91Å; P662-Y665 VanDerWaalsContact O-N 3.16Å; E663-Y665 PolarHBondContact O-N 3.23Å; E663-Y665 VanDerWaalsContact O-N 3.1Å; Y665-R810 PolarHBondContact O-NH1 3.09Å; Y665-R810 PolarHBondContact O-NH2 3.42Å; Y665-F818 AromaticContact CD1-CE1 3.84Å; Y665-F818 HydrophobicContact CD1-CE1 3.84Å; Y665-F818 HydrophobicContact CD1-CZ 4.36Å; Y665-F818 HydrophobicContact CD2-CE1 4.2Å; Y665-F818 HydrophobicContact CE1-CE1 4.19Å; Y665-F818 AromaticContact CG-CE1 3.84Å; Y665-F818 HydrophobicContact CG-CE1 3.84Å; Y665-F818 HydrophobicContact CG-CZ 4.32Å; Y665-Y823 VanDerWaalsContact CE2-O 3.22Å; Y665-Y823 WeakPolarHBondContact CE2-O 3.02Å; Y665-Y823 PolarHBondContact OH-O 2.88Å
666Q70.9Confident83.7Confident44 Ų4451 Ų5121%0.20627%0.273CS..  trans-104.918.2-178-66.1-174.98.400114.7I643 D661 E663 V668I643-Q666 PolarHBondContact O-NE2 3.2Å; D661-Q666 PolarHBondContact OD1-NE2 2.98Å; E663-Q666 PolarHBondContact O-N 3.49Å; Q666-V668 PolarHBondContact O-N 2.67Å
667T75.4Confident83.9Confident128 Ų12849.1 Ų49.179%0.78527%0.268SS*.SBendtrans-67.3-36.5-174.151.50000114.3
668V86Confident83.9Confident39 Ų3948.9 Ų48.924%0.23627%0.267CS..SBendtrans-114.9131.7176.8179.60000108.5Q666 A670 R810 N812Q666-V668 PolarHBondContact O-N 2.67Å; V668-A670 PolarHBondContact O-N 3.02Å; V668-R810 HydrophobicContact CG1-CB 3.94Å; V668-R810 PolarHBondContact O-NH1 3.36Å; V668-N812 HydrophobicContact CG1-CB 4.23Å
669P89.4Confident83.8Confident61 Ų6150 Ų5040%0.39627%0.269SS..  trans-63.8135.5-177.224.8-33.2000111.6A811P669-A811 HydrophobicContact CG-CB 3.94Å; P669-A811 PolarHBondContact O-N 2.93Å
670A90.9Very high83.9Confident6 Ų644.6 Ų44.65%0.0525%0.249CC..EExtended strand (participates in β ladder)trans-76.8143.8170.800000110.8L637 G641 I643 V668 V673 V808L637-A670 HydrophobicContact CD1-CB 3.72Å; G641-A670 WeakPolarHBondContact CA-O 3.44Å; G641-A670 PolarHBondContact O-N 2.81Å; I643-A670 HydrophobicContact CD1-CB 3.71Å; I643-A670 HydrophobicContact CG1-CB 3.84Å; V668-A670 PolarHBondContact O-N 3.02Å; A670-V673 HydrophobicContact CB-CG1 4.42Å; A670-V808 HydrophobicContact CB-CG1 3.78Å
671V91.3Very high83.9Confident59 Ų5944.7 Ų44.736%0.35826%0.256SS..EExtended strand (participates in β ladder)trans-112.3-34.7-179.5-176.40000111.2C809 A811 V861V671-C809 PolarHBondContact N-O 2.98Å; V671-A811 HydrophobicContact CG2-CB 3.76Å; V671-V861 WeakPolarHBondContact CG1-O 3.41Å
672A92.9Very high84.4Confident1 Ų142.7 Ų42.71%0.00825%0.245CC..EExtended strand (participates in β ladder)trans-145.6146.1175.900000110.3C809 V861 V864A672-C809 HydrophobicContact CB-CB 4.23Å; A672-C809 PolarHBondContact N-O 3.29Å; A672-C809 PolarHBondContact O-N 2.71Å; A672-V861 HydrophobicContact CB-CG1 4.22Å; A672-V864 HydrophobicContact CB-CB 4.39Å; A672-V864 HydrophobicContact CB-CG2 4.24Å
673V94.5Very high85.2Confident3 Ų341.9 Ų41.92%0.01824%0.239CC..EExtended strand (participates in β ladder)trans-136.5148.3-179.5-650000111V635 L637 I643 A670 L806 F807 V808V635-V673 HydrophobicContact CG1-CG2 4.25Å; L637-V673 HydrophobicContact CB-CG2 4.08Å; L637-V673 HydrophobicContact CD1-CG1 4.44Å; L637-V673 HydrophobicContact CD2-CG2 4.46Å; I643-V673 HydrophobicContact CD1-CG1 3.85Å; I643-V673 HydrophobicContact CG1-CG1 4.15Å; A670-V673 HydrophobicContact CB-CG1 4.42Å; V673-L806 HydrophobicContact CB-CD1 4.49Å; V673-F807 WeakPolarHBondContact CA-O 3.39Å; V673-V808 HydrophobicContact CG1-CG1 4.42Å; V673-V808 HydrophobicContact CG1-CG2 4.36Å
674S95.6Very high86.1Confident5 Ų535.9 Ų35.94%0.03521%0.213CC..EExtended strand (participates in β ladder)trans-147.1141.3173.4-177.20000110.6F807 V866S674-F807 PolarHBondContact N-O 3.01Å; S674-F807 PolarHBondContact O-N 3.38Å; S674-V866 PolarHBondContact OG-N 3.16Å
675I95.7Very high87.2Confident5 Ų534.2 Ų34.23%0.02620%0.195CC..EExtended strand (participates in β ladder)trans-105.1126.4173.4-52.1166.3000108.6A628 T630 V635 W805 L806 L820A628-I675 HydrophobicContact CB-CD1 4.05Å; A628-I675 HydrophobicContact CB-CG1 3.89Å; A628-I675 VanDerWaalsContact O-CD1 3.26Å; A628-I675 WeakPolarHBondContact O-CD1 3.48Å; T630-I675 HydrophobicContact CG2-CG2 4.15Å; T630-I675 PolarHBondContact OG1-O 2.79Å; V635-I675 HydrophobicContact CB-CD1 3.79Å; V635-I675 HydrophobicContact CB-CG1 4.07Å; V635-I675 HydrophobicContact CG2-CD1 3.4Å; V635-I675 HydrophobicContact CG2-CG1 3.63Å; I675-W805 WeakPolarHBondContact CA-O 3.39Å; I675-L806 HydrophobicContact CG1-CD1 4.31Å; I675-L820 HydrophobicContact CG2-CD1 4.03Å
676Y95.7Very high87.8Confident3 Ų330.7 Ų30.71%0.01218%0.183CC..EExtended strand (participates in β ladder)trans-108.7127.6176.7179-123.4000110.9D678 F683 Y804 W805 F807 V866 P876Y676-D678 HydrophobicContact CD1-CB 4.1Å; Y676-D678 HydrophobicContact CE1-CB 3.53Å; Y676-D678 WeakPolarHBondContact CE1-OD1 3.44Å; Y676-D678 PolarHBondContact OH-OD1 2.97Å; Y676-D678 VanDerWaalsContact OH-OD1 3.1Å; Y676-F683 HydrophobicContact CD1-CE1 4.1Å; Y676-F683 AromaticContact CD1-CE2 3.94Å; Y676-F683 HydrophobicContact CD1-CE2 3.94Å; Y676-F683 AromaticContact CD1-CZ 3.68Å; Y676-F683 HydrophobicContact CD1-CZ 3.68Å; Y676-F683 HydrophobicContact CE1-CD2 4.01Å; Y676-F683 HydrophobicContact CE1-CE1 4.41Å; Y676-F683 AromaticContact CE1-CE2 3.44Å; Y676-F683 HydrophobicContact CE1-CE2 3.44Å; Y676-F683 VanDerWaalsContact CE1-CE2 3.44Å; Y676-F683 AromaticContact CE1-CZ 3.67Å; Y676-F683 HydrophobicContact CE1-CZ 3.67Å; Y676-Y804 WeakPolarHBondContact O-CA 3.44Å; Y676-W805 PolarHBondContact N-O 3.36Å; Y676-W805 PolarHBondContact O-N 3.05Å; Y676-F807 HydrophobicContact CD1-CE2 4.48Å; Y676-V866 HydrophobicContact CD1-CG1 4.28Å; Y676-V866 HydrophobicContact CD2-CG1 3.88Å; Y676-V866 HydrophobicContact CG-CB 4.45Å; Y676-V866 HydrophobicContact CG-CG1 3.68Å; Y676-P876 HydrophobicContact CE1-CB 3.9Å; Y676-P876 HydrophobicContact CE1-CG 4.2Å; Y676-P876 WeakPolarHBondContact OH-CG 3.31Å
677K93.5Very high87.9Confident86 Ų8630.2 Ų30.237%0.37419%0.185SC..EExtended strand (participates in β ladder)trans-92.8107.2166.8175.5178.5179.5175.40107.8T630 M679 A802 Y804T630-K677 HydrophobicContact CG2-CB 3.62Å; K677-M679 HydrophobicContact CG-SD 4.42Å; K677-M679 PolarHBondContact O-N 3.48Å; K677-A802 HydrophobicContact CG-CB 4.35Å; K677-Y804 HydrophobicContact CB-CD1 4.07Å; K677-Y804 HydrophobicContact CB-CE1 3.79Å; K677-Y804 HydrophobicContact CD-CE1 3.94Å; K677-Y804 HydrophobicContact CG-CD1 4.29Å; K677-Y804 HydrophobicContact CG-CE1 3.63Å
678D91.2Very high87.7Confident2 Ų227.9 Ų27.91%0.01116%0.164CC..EExtended strand (participates in β ladder)trans-79.6121.3-179.8-176.140.6000111.7Y676 S680 G681 F683 A802 T803Y676-D678 HydrophobicContact CD1-CB 4.1Å; Y676-D678 HydrophobicContact CE1-CB 3.53Å; Y676-D678 WeakPolarHBondContact CE1-OD1 3.44Å; Y676-D678 PolarHBondContact OH-OD1 2.97Å; Y676-D678 VanDerWaalsContact OH-OD1 3.1Å; D678-S680 VanDerWaalsContact OD1-CB 3.29Å; D678-S680 WeakPolarHBondContact OD1-CB 3.39Å; D678-S680 PolarHBondContact OD1-N 3.25Å; D678-S680 PolarHBondContact OD1-OG 3.15Å; D678-S680 PolarHBondContact OD2-OG 2.98Å; D678-G681 PolarHBondContact OD2-N 3.26Å; D678-F683 HydrophobicContact CB-CD2 4.19Å; D678-F683 HydrophobicContact CB-CG 4.4Å; D678-A802 WeakPolarHBondContact O-CA 3.3Å; D678-T803 WeakPolarHBondContact CB-OG1 3.43Å; D678-T803 PolarHBondContact N-O 3.33Å; D678-T803 PolarHBondContact O-N 2.94Å
679M86.7Confident86.8Confident53 Ų5327.7 Ų27.726%0.26116%0.159SC..  trans-114.74.9170.9-61.9-60.2-55.800112K677 A802 K873K677-M679 HydrophobicContact CG-SD 4.42Å; K677-M679 PolarHBondContact O-N 3.48Å; M679-A802 HydrophobicContact SD-CB 3.71Å; M679-K873 HydrophobicContact CB-CB 4.38Å
680S84.7Confident85.3Confident5 Ų528.3 Ų28.34%0.03517%0.165CC..SBendtrans-85.6-28.1-179.271.30000113.2D678 M682 A874D678-S680 VanDerWaalsContact OD1-CB 3.29Å; D678-S680 WeakPolarHBondContact OD1-CB 3.39Å; D678-S680 PolarHBondContact OD1-N 3.25Å; D678-S680 PolarHBondContact OD1-OG 3.15Å; D678-S680 PolarHBondContact OD2-OG 2.98Å; S680-M682 PolarHBondContact O-N 3.12Å; S680-M682 VanDerWaalsContact OG-CB 3.3Å; S680-M682 WeakPolarHBondContact OG-CB 3.12Å; S680-M682 WeakPolarHBondContact OG-CG 3.36Å; S680-M682 PolarHBondContact OG-N 3.4Å; S680-A874 WeakPolarHBondContact CB-O 3.29Å
681G81.2Confident83.5Confident38 Ų3831 Ų3139%0.39218%0.184SC..SBendtrans74.47.6-169.700000113.7D678D678-G681 PolarHBondContact OD2-N 3.26Å
682M85.3Confident81.2Confident6 Ų630.9 Ų30.93%0.0318%0.179CC..  trans-83.5-20-178.3-64.1172.852.100113.6S680 V684 Y793 P876 A891 F892S680-M682 PolarHBondContact O-N 3.12Å; S680-M682 VanDerWaalsContact OG-CB 3.3Å; S680-M682 WeakPolarHBondContact OG-CB 3.12Å; S680-M682 WeakPolarHBondContact OG-CG 3.36Å; S680-M682 PolarHBondContact OG-N 3.4Å; M682-V684 PolarHBondContact O-N 2.99Å; M682-Y793 HydrophobicContact CE-CE1 4.11Å; M682-Y793 HydrophobicContact SD-CD1 4.15Å; M682-Y793 HydrophobicContact SD-CE1 3.77Å; M682-P876 HydrophobicContact SD-CG 4.32Å; M682-A891 HydrophobicContact CE-CB 4Å; M682-A891 WeakPolarHBondContact CE-O 3.32Å; M682-F892 VanDerWaalsContact CE-CA 3.48Å
683F89.9Confident78.9Confident7 Ų736.6 Ų36.63%0.03121%0.206CC..  trans-82.866.5-177.4-76-116.5000110.8Y676 D678 W805 F807 P876 L903 L905Y676-F683 HydrophobicContact CD1-CE1 4.1Å; Y676-F683 AromaticContact CD1-CE2 3.94Å; Y676-F683 HydrophobicContact CD1-CE2 3.94Å; Y676-F683 AromaticContact CD1-CZ 3.68Å; Y676-F683 HydrophobicContact CD1-CZ 3.68Å; Y676-F683 HydrophobicContact CE1-CD2 4.01Å; Y676-F683 HydrophobicContact CE1-CE1 4.41Å; Y676-F683 AromaticContact CE1-CE2 3.44Å; Y676-F683 HydrophobicContact CE1-CE2 3.44Å; Y676-F683 VanDerWaalsContact CE1-CE2 3.44Å; Y676-F683 AromaticContact CE1-CZ 3.67Å; Y676-F683 HydrophobicContact CE1-CZ 3.67Å; D678-F683 HydrophobicContact CB-CD2 4.19Å; D678-F683 HydrophobicContact CB-CG 4.4Å; F683-W805 HydrophobicContact CB-CD2 4.23Å; F683-W805 HydrophobicContact CB-CH2 4.44Å; F683-W805 HydrophobicContact CB-CZ2 3.54Å; F683-W805 VanDerWaalsContact CB-NE1 3.25Å; F683-W805 HydrophobicContact CD1-CB 4.35Å; F683-W805 AromaticContact CD1-CD1 3.5Å; F683-W805 AromaticContact CD1-CD2 3.62Å; F683-W805 HydrophobicContact CD1-CD2 3.62Å; F683-W805 AromaticContact CD1-CE2 3.69Å; F683-W805 HydrophobicContact CD1-CE3 4.33Å; F683-W805 AromaticContact CD1-CG 3.55Å; F683-W805 HydrophobicContact CD1-CG 3.55Å; F683-W805 HydrophobicContact CD1-CZ2 4.45Å; F683-W805 AromaticContact CD1-NE1 3.57Å; F683-W805 HydrophobicContact CE1-CB 4.38Å; F683-W805 HydrophobicContact CE1-CD2 4.46Å; F683-W805 HydrophobicContact CE1-CG 4.03Å; F683-W805 AromaticContact CG-CD1 3.86Å; F683-W805 HydrophobicContact CG-CD2 4.33Å; F683-W805 AromaticContact CG-CE2 3.92Å; F683-W805 HydrophobicContact CG-CG 4.33Å; F683-W805 HydrophobicContact CG-CZ2 4.49Å; F683-W805 AromaticContact CG-NE1 3.58Å; F683-W805 WeakPolarHBondContact O-CZ2 3.45Å; F683-F807 HydrophobicContact CE1-CE2 4.01Å; F683-F807 AromaticContact CE1-CZ 3.75Å; F683-F807 HydrophobicContact CE1-CZ 3.75Å; F683-F807 HydrophobicContact CZ-CE2 4.4Å; F683-F807 AromaticContact CZ-CZ 3.96Å; F683-F807 HydrophobicContact CZ-CZ 3.96Å; F683-P876 HydrophobicContact CD2-CG 4.48Å; F683-P876 HydrophobicContact CE2-CB 3.85Å; F683-P876 HydrophobicContact CE2-CG 3.7Å; F683-P876 HydrophobicContact CZ-CB 4.33Å; F683-L903 HydrophobicContact CB-CD2 4.11Å; F683-L903 HydrophobicContact CD1-CD1 3.65Å; F683-L903 HydrophobicContact CD1-CD2 4.4Å; F683-L903 HydrophobicContact CE1-CD1 4.1Å; F683-L905 HydrophobicContact CD1-CD2 4.11Å; F683-L905 HydrophobicContact CD2-CD2 3.9Å; F683-L905 HydrophobicContact CE1-CD2 4.22Å; F683-L905 HydrophobicContact CE2-CD2 3.97Å; F683-L905 HydrophobicContact CG-CD2 3.95Å; F683-L905 HydrophobicContact CZ-CD2 4.15Å
684V87.4Confident76.2Confident26 Ų2639.9 Ų39.916%0.15823%0.229CC..  trans-115.2147.9177.5-67.10000110.8M682 F688 Y689 A904M682-V684 PolarHBondContact O-N 2.99Å; V684-F688 HydrophobicContact CB-CB 4.29Å; V684-F688 HydrophobicContact CB-CD1 4.38Å; V684-F688 HydrophobicContact CB-CG 4.26Å; V684-F688 HydrophobicContact CG2-CD1 4.25Å; V684-Y689 HydrophobicContact CG2-CE2 3.66Å; V684-A904 PolarHBondContact O-N 2.87Å
685P85.5Confident73.4Confident47 Ų4744.6 Ų44.631%0.30525%0.253SS..BIsolated β-bridgetrans-70.1153.2178.929.5-34.5000111.5S687 F688 H902P685-S687 PolarHBondContact O-N 3.39Å; P685-F688 HydrophobicContact CG-CB 4.32Å; P685-F688 WeakPolarHBondContact O-CB 3.42Å; P685-F688 PolarHBondContact O-N 2.57Å; P685-H902 CarbonylContact C-O 3.56Å; P685-H902 WeakPolarHBondContact CA-O 3.39Å
686T79.4Confident70.5Confident20 Ų2048.4 Ų48.412%0.12327%0.274CS..Hα-helixtrans-56.1-33.4176.5-52.80000112.6F688 Y689 S690 L895 A900 H902T686-F688 PolarHBondContact O-N 2.96Å; T686-Y689 PolarHBondContact O-N 3Å; T686-S690 PolarHBondContact O-N 3.4Å; T686-L895 WeakPolarHBondContact CG2-O 3.44Å; T686-A900 PolarHBondContact N-O 2.9Å; T686-H902 PolarHBondContact N-O 2.98Å; T686-H902 PolarHBondContact OG1-O 3.31Å
687S74.7Confident67.5Low35 Ų3554.2 Ų54.225%0.24531%0.305CS..Hα-helixtrans-59.1-28.2175.959.90000113.6P685 Y689 S690 S691 A900P685-S687 PolarHBondContact O-N 3.39Å; S687-Y689 VanDerWaalsContact C-N 3.3Å; S687-Y689 PolarHBondContact O-N 3.39Å; S687-S690 VanDerWaalsContact CA-OG 3.32Å; S687-S690 WeakPolarHBondContact CA-OG 3.39Å; S687-S690 PolarHBondContact O-N 2.98Å; S687-S690 PolarHBondContact O-OG 3.28Å; S687-S691 PolarHBondContact O-N 2.82Å; S687-A900 WeakPolarHBondContact CB-O 3.15Å; S687-A900 PolarHBondContact N-O 3.46Å; S687-A900 PolarHBondContact OG-O 3.25Å
688F70.3Confident64.5Low78 Ų7857 Ų5734%0.34232%0.319SS..Hα-helixtrans-55.3-45.2177.2-174.1-98000111.6V684 P685 T686 S691V684-F688 HydrophobicContact CB-CB 4.29Å; V684-F688 HydrophobicContact CB-CD1 4.38Å; V684-F688 HydrophobicContact CB-CG 4.26Å; V684-F688 HydrophobicContact CG2-CD1 4.25Å; P685-F688 HydrophobicContact CG-CB 4.32Å; P685-F688 WeakPolarHBondContact O-CB 3.42Å; P685-F688 PolarHBondContact O-N 2.57Å; T686-F688 PolarHBondContact O-N 2.96Å; F688-S691 PolarHBondContact O-OG 3.26Å
689Y67.3Low61.8Low36 Ų3659.3 Ų59.314%0.14134%0.339CS..Hα-helixtrans-76.1-35.2179.7-63.1-72000112.7V684 T686 S687 S691 P791 L895 A904V684-Y689 HydrophobicContact CG2-CE2 3.66Å; T686-Y689 PolarHBondContact O-N 3Å; S687-Y689 VanDerWaalsContact C-N 3.3Å; S687-Y689 PolarHBondContact O-N 3.39Å; Y689-S691 VanDerWaalsContact C-N 3.33Å; Y689-S691 PolarHBondContact O-N 2.79Å; Y689-P791 HydrophobicContact CE1-CB 4.33Å; Y689-L895 HydrophobicContact CD1-CD2 3.75Å; Y689-L895 HydrophobicContact CD2-CD2 3.58Å; Y689-L895 HydrophobicContact CE1-CD2 4.22Å; Y689-L895 HydrophobicContact CE2-CD2 4.05Å; Y689-L895 HydrophobicContact CG-CD2 3.4Å; Y689-L895 VanDerWaalsContact CG-CD2 3.4Å; Y689-A904 HydrophobicContact CD2-CB 3.93Å; Y689-A904 HydrophobicContact CE2-CB 3.72Å
690S58.6Low59.2Low73 Ų7364 Ų6451%0.5136%0.358SS..Hα-helixtrans-66.6-29.5-179.5680000114.4T686 S687T686-S690 PolarHBondContact O-N 3.4Å; S687-S690 VanDerWaalsContact CA-OG 3.32Å; S687-S690 WeakPolarHBondContact CA-OG 3.39Å; S687-S690 PolarHBondContact O-N 2.98Å; S687-S690 PolarHBondContact O-OG 3.28Å
691S51.4Low56.6Low64 Ų6466.7 Ų66.745%0.44838%0.38SS..Hα-helixtrans-76.4-20.5-176.267.50000114.2S687 F688 Y689 S694S687-S691 PolarHBondContact O-N 2.82Å; F688-S691 PolarHBondContact O-OG 3.26Å; Y689-S691 VanDerWaalsContact C-N 3.33Å; Y689-S691 PolarHBondContact O-N 2.79Å; S691-S694 PolarHBondContact O-OG 2.83Å
692E43.8Very low54.2Low55 Ų5567.4 Ų67.426%0.25738%0.383SS..Hα-helixtrans-93.3-27.6-179.2-65.6-162.8160.700113.5S694 L695 D696 V789E692-S694 PolarHBondContact O-N 2.79Å; E692-S694 VanDerWaalsContact O-N 3.15Å; E692-L695 PolarHBondContact O-N 2.78Å; E692-D696 PolarHBondContact O-N 2.89Å; E692-V789 HydrophobicContact CB-CG2 4.11Å
693E43.9Very low51.6Low122 Ų12274.6 Ų74.657%0.5741%0.41SS*.Hα-helixtrans-58.8-27.5172.1-72.9-173.1166.200112.5N697 V789E693-N697 PolarHBondContact O-ND2 2.91Å; E693-V789 HydrophobicContact CG-CG1 4.27Å
694S38.4Very low48.6Very low72 Ų7281.4 Ų81.450%0.50344%0.442SS..Hα-helixtrans-74.3-29.3173.861.30000114.3S691 E692S691-S694 PolarHBondContact O-OG 2.83Å; E692-S694 PolarHBondContact O-N 2.79Å; E692-S694 VanDerWaalsContact O-N 3.15Å
695L36.9Very low45.8Very low104 Ų10483.8 Ų83.855%0.54547%0.465SS..Hα-helixtrans-80.2-32.6-179.6-77.7155.2000111.5E692 E698 A699E692-L695 PolarHBondContact O-N 2.78Å; L695-E698 PolarHBondContact O-N 2.72Å; L695-A699 VanDerWaalsContact O-CB 3.24Å; L695-A699 WeakPolarHBondContact O-CB 3.08Å; L695-A699 PolarHBondContact O-N 3.07Å
696D35.2Very low43.3Very low85 Ų8585.3 Ų85.346%0.45548%0.477SS..Hα-helixtrans-70.7-30.9176.4-83-6000112.4E692 E698 A699 F700 V789E692-D696 PolarHBondContact O-N 2.89Å; D696-E698 VanDerWaalsContact C-N 3.33Å; D696-E698 PolarHBondContact O-N 2.84Å; D696-A699 PolarHBondContact O-N 3.1Å; D696-F700 WeakPolarHBondContact O-CB 3.46Å; D696-F700 PolarHBondContact O-N 2.96Å; D696-V789 WeakPolarHBondContact OD2-CG2 2.98Å
697N32.3Very low41Very low125 Ų12589.2 Ų89.267%0.66850%0.5SS*.Hα-helixtrans-68.2-32.7172.5-74.9-37.9000112.5E693 A701E693-N697 PolarHBondContact O-ND2 2.91Å; N697-A701 WeakPolarHBondContact O-CB 3.18Å; N697-A701 PolarHBondContact O-N 2.9Å
698E31.4Very low38.7Very low144 Ų14492.3 Ų92.367%0.67352%0.522SS*.Hα-helixtrans-79.2-33.9172.2-70.6-172.1166.200112.3L695 D696 A702L695-E698 PolarHBondContact O-N 2.72Å; D696-E698 VanDerWaalsContact C-N 3.33Å; D696-E698 PolarHBondContact O-N 2.84Å; E698-A702 WeakPolarHBondContact O-CB 3.37Å; E698-A702 PolarHBondContact O-N 2.81Å
699A33.2Very low36.5Very low51 Ų5192.8 Ų92.842%0.42154%0.54SS..Hα-helixtrans-74.3-33.7177.500000112.3L695 D696 A702 Y703L695-A699 VanDerWaalsContact O-CB 3.24Å; L695-A699 WeakPolarHBondContact O-CB 3.08Å; L695-A699 PolarHBondContact O-N 3.07Å; D696-A699 PolarHBondContact O-N 3.1Å; A699-A702 CarbonylContact O-C 3.57Å; A699-A702 PolarHBondContact O-N 2.72Å; A699-Y703 WeakPolarHBondContact O-CB 3.46Å; A699-Y703 PolarHBondContact O-N 3.06Å
700F32.2Very low34.5Very low150 Ų150100 Ų10066%0.65858%0.575SS**Hα-helixtrans-70-39.6173-155.9-92.8000110.6D696 A702 Y703 E704D696-F700 WeakPolarHBondContact O-CB 3.46Å; D696-F700 PolarHBondContact O-N 2.96Å; F700-A702 VanDerWaalsContact C-N 3.35Å; F700-Y703 PolarHBondContact O-N 2.81Å; F700-E704 PolarHBondContact O-N 2.81Å
701A30.7Very low32.8Very low62 Ų62106 Ų10651%0.51260%0.595SS.*Hα-helixtrans-66-34.8170.500000112.7N697 A705N697-A701 WeakPolarHBondContact O-CB 3.18Å; N697-A701 PolarHBondContact O-N 2.9Å; A701-A705 PolarHBondContact O-N 3.19Å
702A30Very low31.4Very low53 Ų53114.4 Ų114.444%0.43862%0.617SS.*Hα-helixtrans-77.4-25.5175.100000113.2E698 A699 F700 A705 S706E698-A702 WeakPolarHBondContact O-CB 3.37Å; E698-A702 PolarHBondContact O-N 2.81Å; A699-A702 CarbonylContact O-C 3.57Å; A699-A702 PolarHBondContact O-N 2.72Å; F700-A702 VanDerWaalsContact C-N 3.35Å; A702-A705 PolarHBondContact O-N 2.95Å; A702-S706 WeakPolarHBondContact O-CB 3.37Å; A702-S706 PolarHBondContact O-N 2.84Å; A702-S706 PolarHBondContact O-OG 2.84Å
703Y30.4Very low30.4Very low157 Ų157117.5 Ų117.562%0.61664%0.642SS**Hα-helixtrans-72.4-40.8176.9-168.7-104.9000111.1A699 F700 A705 S706 V707A699-Y703 WeakPolarHBondContact O-CB 3.46Å; A699-Y703 PolarHBondContact O-N 3.06Å; F700-Y703 PolarHBondContact O-N 2.81Å; Y703-A705 VanDerWaalsContact C-N 3.28Å; Y703-A705 PolarHBondContact O-N 2.87Å; Y703-S706 PolarHBondContact O-N 2.93Å; Y703-S706 PolarHBondContact O-OG 3.13Å; Y703-V707 HydrophobicContact CD2-CG2 4.42Å; Y703-V707 HydrophobicContact CE1-CG2 4.33Å; Y703-V707 HydrophobicContact CE2-CG2 4.17Å; Y703-V707 WeakPolarHBondContact O-CG2 3.28Å; Y703-V707 PolarHBondContact O-N 3.34Å
704E27.8Very low29.3Very low150 Ų150118.1 Ų118.170%0.70165%0.654SS**Hα-helixtrans-64.6-32.8169.5-79.2-164.3152.900112.5F700F700-E704 PolarHBondContact O-N 2.81Å
705A29.6Very low28.6Very low76 Ų76124.5 Ų124.563%0.62867%0.673SS**Hα-helixtrans-77.1-17.4178.200000114.4A701 A702 Y703A701-A705 PolarHBondContact O-N 3.19Å; A702-A705 PolarHBondContact O-N 2.95Å; Y703-A705 VanDerWaalsContact C-N 3.28Å; Y703-A705 PolarHBondContact O-N 2.87Å
706S33Very low27.9Very low79 Ų79124 Ų12455%0.55268%0.679SS**Hα-helixtrans-107.9-8.9-174.653.20000115.1A702 Y703A702-S706 WeakPolarHBondContact O-CB 3.37Å; A702-S706 PolarHBondContact O-N 2.84Å; A702-S706 PolarHBondContact O-OG 2.84Å; Y703-S706 PolarHBondContact O-N 2.93Å; Y703-S706 PolarHBondContact O-OG 3.13Å
707V30.1Very low27.5Very low103 Ų103127.3 Ų127.362%0.62470%0.696SS**SBendtrans-95.611.7176.4-171.70000112.7Y703Y703-V707 HydrophobicContact CD2-CG2 4.42Å; Y703-V707 HydrophobicContact CE1-CG2 4.33Å; Y703-V707 HydrophobicContact CE2-CG2 4.17Å; Y703-V707 WeakPolarHBondContact O-CG2 3.28Å; Y703-V707 PolarHBondContact O-N 3.34Å
708S27.1Very low27.3Very low99 Ų99126.8 Ų126.869%0.69270%0.7SS**  trans-122.256.1175.144.90000112.6
709A24.5Very low27.1Very low88 Ų88125.9 Ų125.973%0.72771%0.709SS**  trans-142.250.7172.200000113
710E25.4Very low26.7Very low188 Ų188132.3 Ų132.388%0.87973%0.731SS**SBendtrans-130.2105.8158.9-78.5-168.9163.200110.7R712E710-R712 PolarHBondContact O-N 2.86Å
711Q22.1Very low26.4Very low200 Ų200131 Ų13194%0.93574%0.737SS**  trans1596.2152.7-62.7175.2-4.300117.3
712R21.7Very low26.1Very low239 Ų239135.7 Ų135.790%0.90275%0.753SS**PPolyproline II helixtrans-102.8134.1148.7-87.1-175.3179.4174.51.4109.8E710E710-R712 PolarHBondContact O-N 2.86Å
713P22.6Very low25.6Very low121 Ų121139 Ų13979%0.78677%0.767SS**PPolyproline II helixtrans-67.8138.8-177.2-11.525.8000111.6F715P713-F715 PolarHBondContact O-N 3.08Å
714T20.2Very low25.2Very low135 Ų135140.5 Ų140.583%0.82878%0.778SS**PPolyproline II helixtrans-55116.7168.847.50000111.9
715F23.5Very low25.1Very low205 Ų205138.6 Ų138.690%0.89978%0.779SS**  trans-113.2114.2145.9-97.3-83.8000107.8P713P713-F715 PolarHBondContact O-N 3.08Å
716S22.7Very low25Very low94 Ų94140.2 Ų140.266%0.65779%0.792SS**  trans-70.8126.2168.547.60000110.4
717D27.9Very low24.3Very low154 Ų154146.6 Ų146.682%0.82481%0.809SS**  172.1158108.3-93.8-14.6000113
718P27.9Very low24Very low114 Ų114145.1 Ų145.174%0.7482%0.815SS**  trans-112.2152.3-139.539-30.8000114.8
719S27.4Very low23.7Very low125 Ų125146.1 Ų146.187%0.87482%0.822SS**  trans-157.8141.6150470000111.8
720E24.4Very low23.8Very low186 Ų186146.4 Ų146.487%0.86983%0.825SS**PPolyproline II helixtrans-67.4154.8-165.8-65.217014000115.2
721P24.7Very low23.8Very low122 Ų122145 Ų14579%0.79282%0.823SS**PPolyproline II helixtrans-84.3123.3-17731.9-31.7000112.8
722L24.3Very low24.2Very low162 Ų162143.7 Ų143.785%0.84882%0.819SS**PPolyproline II helixtrans-81117.3168.5-78163000110.4
723T20.4Very low24.6Very low121 Ų121138.7 Ų138.774%0.74282%0.815SS**PPolyproline II helixtrans-81.5129.9168.5-40.30000108.6
724F22.9Very low25.2Very low189 Ų189138.4 Ų138.483%0.82981%0.811SS**  trans-133.3121.3158.2-90.9-78000110.9
725P24.7Very low26Very low111 Ų111138.2 Ų138.272%0.72181%0.805SS**  trans-95.7148.7-176.236.7-31.5000111.6
726A26.9Very low26.8Very low109 Ų109134.4 Ų134.490%0.90179%0.794SS**  trans-116.992166.400000109.7
727K19.9Very low27.7Very low213 Ų213137.2 Ų137.293%0.92680%0.797SS**  trans-83147.9155.3-81.9178.8171.7178.60108.1
728G22.7Very low28.4Very low72 Ų72134.4 Ų134.474%0.74278%0.782SS**  trans145.793.815200000115.6
729S21.1Very low29.3Very low120 Ų120134.5 Ų134.584%0.83978%0.775SS**  trans-40.8143.5150.648.70000114.5
730A27.3Very low30Very low95 Ų95136 Ų13679%0.78577%0.773SS**  trans-161124.3143.600000110.5
731D24.8Very low30.7Very low157 Ų157133 Ų13384%0.8476%0.762SS**  trans-55.6136.5174.5-58.7-61.8000112.7
732M31.2Very low31.7Very low174 Ų174136.3 Ų136.386%0.85776%0.76SS**  trans-114.8109.9159.4-76.3-71.5-75.100107.6
733T29.1Very low32.1Very low134 Ų134131 Ų13182%0.82275%0.745SS**PPolyproline II helixtrans-53.3122.1175.348.90000111.3
734V35.1Very low32.6Very low115 Ų115134.1 Ų134.170%0.69775%0.751SS**PPolyproline II helixtrans-102.6131169-179.60000108.2D738V734-D738 WeakPolarHBondContact CG1-OD2 3.34Å
735D37.4Very low32.9Very low130 Ų130134.7 Ų134.770%0.69575%0.753SS**PPolyproline II helixtrans-61.7152.9-164.6-124.7-35.4000114.9E737 D738D735-E737 PolarHBondContact O-N 3.48Å; D735-D738 PolarHBondContact O-N 2.76Å
736D39.5Very low33Very low125 Ų125137.3 Ų137.367%0.66876%0.759SS**THydrogen-bonded Turntrans-61.1-10.7-177.3-73-33.4000114.3
737E41.4Very low32.8Very low154 Ų154140.8 Ų140.872%0.7276%0.757SS**Hα-helixtrans-70.2-29176.9-69.9-155.9156.900113D735 L739 L740D735-E737 PolarHBondContact O-N 3.48Å; E737-L739 VanDerWaalsContact C-N 3.35Å; E737-L739 PolarHBondContact O-N 2.96Å; E737-L740 PolarHBondContact O-N 2.93Å
738D44.4Very low33.1Very low95 Ų95136 Ų13651%0.50875%0.75SS.*Hα-helixtrans-75.3-25.2-178.6-76.8-22.9000112.8V734 D735 L741V734-D738 WeakPolarHBondContact CG1-OD2 3.34Å; D735-D738 PolarHBondContact O-N 2.76Å; D738-L741 PolarHBondContact O-N 2.94Å
739L44.8Very low33Very low116 Ų116137.9 Ų137.961%0.60775%0.752SS**Hα-helixtrans-69.2-31.7175.9-88.1158.1000112.4E737 L741E737-L739 VanDerWaalsContact C-N 3.35Å; E737-L739 PolarHBondContact O-N 2.96Å; L739-L741 VanDerWaalsContact C-N 3.33Å
740L43.5Very low33.2Very low157 Ų157139.1 Ų139.182%0.82275%0.747SS**Hα-helixtrans-71-27176.6-83.8161.8000112.8E737E737-L740 PolarHBondContact O-N 2.93Å
741L39.1Very low32.8Very low122 Ų122139.9 Ų139.964%0.63975%0.747SS**Hα-helixtrans-84.8-30.4-172.7-12599.6000113.9D738 L739D738-L741 PolarHBondContact O-N 2.94Å; L739-L741 VanDerWaalsContact C-N 3.33Å
742Y44.4Very low32.8Very low192 Ų192141.9 Ų141.975%0.75375%0.749SS**Hα-helixtrans-120.51.4-168.8-67.7-68.5000116.6
743G33.2Very low32.4Very low51 Ų51137.2 Ų137.253%0.52675%0.745SS.*  trans67.2144.4167.100000114.7K745G743-K745 PolarHBondContact O-N 2.84Å
744E30.9Very low32Very low185 Ų185140.4 Ų140.486%0.86475%0.747SS**  trans-64.4125-175.1-66.9176.6152.100112.3
745K30.3Very low31.3Very low201 Ų201143.4 Ų143.487%0.87475%0.754SS**  trans-84.3114.7165.9-80.5-177.6178174.60109.2G743 E747G743-K745 PolarHBondContact O-N 2.84Å; K745-E747 PolarHBondContact O-N 2.8Å
746I26.6Very low30.9Very low166 Ų166142.5 Ų142.585%0.85176%0.755SS**  trans-61.4116.8176.5-65167.7000109.9S748I746-S748 PolarHBondContact O-N 2.92Å
747E22.3Very low29.9Very low183 Ų183142.6 Ų142.686%0.85576%0.761SS**  trans-65.6119.9170.8-63.3179.915100110.3K745K745-E747 PolarHBondContact O-N 2.8Å
748S26.2Very low29.1Very low112 Ų112142.8 Ų142.878%0.78377%0.766SS**  trans-119.594.2158.364.90000108.8I746 I750I746-S748 PolarHBondContact O-N 2.92Å; S748-I750 PolarHBondContact O-N 2.97Å
749S21.4Very low28Very low111 Ų111142.6 Ų142.678%0.77678%0.778SS**  trans-61.7115.7167.236.30000111.3
750I23.6Very low27Very low147 Ų147141.3 Ų141.375%0.75478%0.784SS**  trans-135.4103.3154.2-59.3-178.3000108.3S748 F752S748-I750 PolarHBondContact O-N 2.97Å; I750-F752 HydrophobicContact CG2-CD2 3.98Å; I750-F752 HydrophobicContact CG2-CE2 3.98Å
751S19.7Very low26Very low111 Ų111140.7 Ų140.778%0.77678%0.782SS**  trans-81.6125.6169.952.90000111.2
752F25.3Very low25.2Very low199 Ų199141.9 Ų141.987%0.87379%0.789SS**  trans-140.5125.8148.6-76.9-85.5000104.2I750I750-F752 HydrophobicContact CG2-CD2 3.98Å; I750-F752 HydrophobicContact CG2-CE2 3.98Å
753G22.7Very low24.8Very low76 Ų76138.2 Ų138.278%0.78479%0.788SS**  cis150.6113.320.200000103.1
754K19.2Very low24.5Very low200 Ų200140.7 Ų140.787%0.8780%0.804SS**  trans-72.2162.5178.9-83176.5169.7176.70111.3
755E21.4Very low24.1Very low179 Ų179141.2 Ų141.284%0.83680%0.803SS**  trans91.5152.3154.4-80.5177.5-157.100119.7
756P29.3Very low23.6Very low110 Ų110141 Ų14171%0.71480%0.803SS**  cis-133.3156.3-4.824-0.7000116
757T19.2Very low23.5Very low128 Ų128142.1 Ų142.179%0.78580%0.804SS**  trans-76.1133.4153.445.50000111
758N23.8Very low23.3Very low157 Ų157145 Ų14584%0.8481%0.807SS**  trans-173.6113151.4-89.6-24.7000106.8
759A22Very low23.3Very low91 Ų91149 Ų14975%0.75281%0.81SS**  89.4124.277.300000113.8
760A22.9Very low23.3Very low90 Ų90149.8 Ų149.874%0.74481%0.81SS**  trans83.7123.4145.500000122
761D23.3Very low23.2Very low144 Ų144147.2 Ų147.277%0.7781%0.812SS**  trans74.9107.8136.4-65.7-26.6000122.6
762N22.4Very low23.3Very low147 Ų147148 Ų14879%0.78681%0.814SS**  30.6161.2113.5-81.7-25.1000120.1
763P35.5Very low23.1Very low114 Ų114143.3 Ų143.374%0.7481%0.812SS**  cis-135.5156.6-43.836.5-20.1000111.3
764A26.4Very low23.1Very low103 Ų103148.9 Ų148.985%0.85182%0.817SS**  trans-150.2113.4164.800000114.9
765K22.1Very low23.3Very low196 Ų196148.1 Ų148.185%0.85282%0.817SS**  trans-41.7140166.8-71162.6174171.20115.7
766K20.4Very low23.4Very low198 Ų198144.7 Ų144.786%0.86181%0.813SS**  37.1110.7129.4-67.2177.8173.9176.30117.5
767Q23.7Very low23.2Very low189 Ų189147.2 Ų147.288%0.88382%0.82SS**  trans-133.8105.9135.6-82.1-168.4-0.500111.2
768R19.2Very low23.4Very low243 Ų243148.9 Ų148.992%0.91782%0.823SS**  trans-63.1122.7158.4-97.8171.4155.7174.2-6.9108.3
769K25.7Very low23.5Very low196 Ų196148.8 Ų148.885%0.85282%0.822SS**  trans-109.5125.7151.3-86.1-177175.9177.60108.4
770T21.3Very low23.6Very low127 Ų127156.2 Ų156.278%0.77983%0.831SS**  trans-80.1134.7-176.438.50000112.2
771A21.8Very low23.8Very low94 Ų94159.3 Ų159.378%0.77783%0.833SS**  trans50141.6138.200000119.9
772P22.4Very low23.9Very low128 Ų128157.3 Ų157.383%0.83183%0.83SS**  -130.1157.769.929.5-12.2000114.7
773A20Very low24.1Very low100 Ų100159.2 Ų159.283%0.82683%0.832SS**  trans-69.8128.3175.500000111
774Q23.9Very low23.8Very low192 Ų192158.3 Ų158.390%0.89783%0.826SS**  trans-131141.3158-82.6-174.7-22.400108.6
775E22.6Very low23.8Very low185 Ų185159.9 Ų159.986%0.86483%0.825SS**  trans-62.3153.7-159.9-69.1161.1147.600114.4N777E775-N777 PolarHBondContact O-N 2.93Å; E775-N777 VanDerWaalsContact O-N 3.16Å
776S23.3Very low24.3Very low107 Ų107153.7 Ų153.775%0.74880%0.8SS**  trans-50.1103.6179.6480000114.3L778S776-L778 PolarHBondContact O-N 2.88Å
777N25.8Very low24.7Very low162 Ų162152.3 Ų152.387%0.86679%0.794SS**  trans-85.493.2157.9-80.1-26000109.7E775 L779E775-N777 PolarHBondContact O-N 2.93Å; E775-N777 VanDerWaalsContact O-N 3.16Å; N777-L779 PolarHBondContact O-N 3.09Å
778L23.9Very low25.1Very low163 Ų163148.2 Ų148.285%0.85378%0.778SS**  trans-60.589.4160.8-78.8157.1000109.3S776S776-L778 PolarHBondContact O-N 2.88Å
779L25.2Very low26Very low156 Ų156138.3 Ų138.382%0.81775%0.745SS**  trans-162.352.7164.3-97.3167.9000109.1N777 I781N777-L779 PolarHBondContact O-N 3.09Å; L779-I781 PolarHBondContact O-N 3.45Å
780R24.2Very low26.7Very low246 Ų246133.5 Ų133.593%0.92873%0.725SS**  trans-80.4100.6156.9-79.7-172-179.9-175.50.1106.4S782R780-S782 PolarHBondContact O-N 3.09Å
781I27.9Very low27.9Very low155 Ų155128.1 Ų128.180%0.79569%0.692SS**  trans-53108.3164.9-63.8168.5000106L779 K783L779-I781 PolarHBondContact O-N 3.45Å; I781-K783 PolarHBondContact O-N 3.24Å
782S24.5Very low29.1Very low102 Ų102128.4 Ų128.471%0.71368%0.676SS**PPolyproline II helixtrans-60.3117.4172.144.30000107.6R780R780-S782 PolarHBondContact O-N 3.09Å
783K26.8Very low30.5Very low188 Ų188123.9 Ų123.982%0.81764%0.643SS**PPolyproline II helixtrans-54.4127.7165.8-68.4-175.9175.4-171.10107.3I781 V785I781-K783 PolarHBondContact O-N 3.24Å; K783-V785 PolarHBondContact O-N 3.48Å; K783-V785 VanDerWaalsContact O-N 3.13Å
784P29.5Very low31.9Very low94 Ų94121.3 Ų121.361%0.6162%0.615SS**PPolyproline II helixtrans-61.8119.6177.224.9-31.7000108.4I786P784-I786 HydrophobicContact CB-CD1 4.34Å; P784-I786 HydrophobicContact CB-CG1 4.31Å; P784-I786 PolarHBondContact O-N 3.17Å; P784-I786 VanDerWaalsContact O-N 3.09Å
785V25.9Very low33.3Very low137 Ų137113.7 Ų113.783%0.8358%0.583SS**  trans-76.593.2174.7179.10000106.8K783K783-V785 PolarHBondContact O-N 3.48Å; K783-V785 VanDerWaalsContact O-N 3.13Å
786I33Very low35.2Very low65 Ų65107.4 Ų107.433%0.33356%0.555SS.*  trans-115.1114172.5-58176.3000106.7P784P784-I786 HydrophobicContact CB-CD1 4.34Å; P784-I786 HydrophobicContact CB-CG1 4.31Å; P784-I786 PolarHBondContact O-N 3.17Å; P784-I786 VanDerWaalsContact O-N 3.09Å
787K28Very low37.1Very low169 Ų169104.8 Ų104.874%0.73554%0.535SS*.  trans-75.7133.6174.9-63.8179.5177.1-177.90109.7
788N32.5Very low39Very low104 Ų104101.7 Ų101.756%0.55653%0.526SS*.  trans103.1132.1162.2-52.9-12.2000118.4H790N788-H790 PolarHBondContact O-N 2.77Å
789V37.9Very low41.2Very low34 Ų3498 Ų9821%0.20651%0.51CS..SBendtrans-81.227.4-158178.30000117.6E692 E693 D696E692-V789 HydrophobicContact CB-CG2 4.11Å; E693-V789 HydrophobicContact CG-CG1 4.27Å; D696-V789 WeakPolarHBondContact OD2-CG2 2.98Å
790H40.9Very low43.7Very low95 Ų9591.9 Ų91.944%0.4448%0.479SS..SBendtrans-122.5143.4178.5-71-43.5000114.3N788 K792N788-H790 PolarHBondContact O-N 2.77Å; H790-K792 PolarHBondContact O-N 2.81Å
791P45.9Very low46.4Very low14 Ų1485.9 Ų85.99%0.09147%0.47CS..  trans-58.4103.7177.623.8-32.1000109.2Y689 Y793 P893Y689-P791 HydrophobicContact CE1-CB 4.33Å; P791-Y793 PolarHBondContact O-N 3.07Å; P791-P893 HydrophobicContact CB-CB 3.6Å; P791-P893 HydrophobicContact CB-CG 3.85Å; P791-P893 HydrophobicContact CG-CB 4.23Å; P791-P893 HydrophobicContact CG-CG 4.23Å
792K47.3Very low49.2Very low100 Ų10079.9 Ų79.944%0.43544%0.444SS..  trans-69.4119.8178.1-76.5-176.4177.3-1780108.4H790H790-K792 PolarHBondContact O-N 2.81Å
793Y51.1Low52.4Low33 Ų3377.4 Ų77.413%0.12942%0.424CS..SBendtrans-84.23.1153.4-87.1-73.8000112.4T25 R42 M682 P791 F892 P893T25-Y793 HydrophobicContact CG2-CD2 4.41Å; R42-Y793 VanDerWaalsContact NH1-CB 3.32Å; R42-Y793 PolarHBondContact NH1-O 3.23Å; M682-Y793 HydrophobicContact CE-CE1 4.11Å; M682-Y793 HydrophobicContact SD-CD1 4.15Å; M682-Y793 HydrophobicContact SD-CE1 3.77Å; P791-Y793 PolarHBondContact O-N 3.07Å; Y793-F892 VanDerWaalsContact OH-CA 3.23Å; Y793-F892 WeakPolarHBondContact OH-CA 3.48Å; Y793-F892 WeakPolarHBondContact OH-CB 3.48Å; Y793-P893 HydrophobicContact CD2-CG 4.17Å; Y793-P893 HydrophobicContact CE2-CG 3.51Å; Y793-P893 WeakPolarHBondContact OH-CD 3.21Å
794L49.8Very low55.6Low46 Ų4670.5 Ų70.524%0.24139%0.393CS..  trans-129.989.8178.3-103.7117.5000110Y46Y46-L794 HydrophobicContact CD2-CD2 3.59Å; Y46-L794 HydrophobicContact CE2-CD2 3.63Å
795S53.9Low58.8Low32 Ų3267 Ų6722%0.22437%0.368CS..  trans-88120.7156.449.40000107.4V800S795-V800 WeakPolarHBondContact OG-CG2 3.4Å
796D61.6Low62Low53 Ų5360.7 Ų60.728%0.28333%0.33SS..  trans-41.5121.2155.1-179.4-22.7000107.4Y46 S798 V799Y46-D796 HydrophobicContact CE1-CB 3.94Å; D796-S798 PolarHBondContact O-N 3.34Å; D796-S798 WeakPolarHBondContact OD1-CB 3.23Å; D796-S798 PolarHBondContact OD1-N 3.02Å; D796-S798 PolarHBondContact OD1-OG 3.09Å; D796-S798 PolarHBondContact OD2-OG 2.92Å; D796-V799 HydrophobicContact CB-CG2 3.94Å; D796-V799 PolarHBondContact O-N 2.69Å
797P62.7Low65.1Low52 Ų5257.7 Ų57.734%0.33831%0.314SS..THydrogen-bonded Turntrans-57.4-20.9-175.221.4-32000112.2V799 N872P797-V799 VanDerWaalsContact C-N 3.29Å; P797-V799 PolarHBondContact O-N 2.8Å; P797-N872 HydrophobicContact CB-CB 4.45Å
798S65.9Low68.2Low97 Ų9749.7 Ų49.768%0.67828%0.279SS*.THydrogen-bonded Turntrans-72.3-15.5175.568.60000114.7D796D796-S798 PolarHBondContact O-N 3.34Å; D796-S798 WeakPolarHBondContact OD1-CB 3.23Å; D796-S798 PolarHBondContact OD1-N 3.02Å; D796-S798 PolarHBondContact OD1-OG 3.09Å; D796-S798 PolarHBondContact OD2-OG 2.92Å
799V71.2Confident71.2Confident85 Ų8544.8 Ų44.852%0.51525%0.253SS..THydrogen-bonded Turntrans-103.9-13.9-174.4-172.80000112.6D796 P797 V801D796-V799 HydrophobicContact CB-CG2 3.94Å; D796-V799 PolarHBondContact O-N 2.69Å; P797-V799 VanDerWaalsContact C-N 3.29Å; P797-V799 PolarHBondContact O-N 2.8Å; V799-V801 PolarHBondContact O-N 3Å
800V76.8Confident73.7Confident28 Ų2843.7 Ų43.717%0.1725%0.246CC..PPolyproline II helixtrans-76.1117.9-176.8-172.60000111.5S795S795-V800 WeakPolarHBondContact OG-CG2 3.4Å
801V82.2Confident76Confident120 Ų12042.2 Ų42.273%0.72725%0.249SC*.PPolyproline II helixtrans-85.5120.6165.7-177.20000108.5V799 T803V799-V801 PolarHBondContact O-N 3Å; V801-T803 PolarHBondContact O-N 2.78Å
802A86.5Confident77.9Confident30 Ų3043.6 Ų43.625%0.24826%0.256CS..PPolyproline II helixtrans-61.9129.3179.400000111.6K677 D678 M679 Y804K677-A802 HydrophobicContact CG-CB 4.35Å; D678-A802 WeakPolarHBondContact O-CA 3.3Å; M679-A802 HydrophobicContact SD-CB 3.71Å; A802-Y804 HydrophobicContact CB-CE2 4.45Å
803T90.9Very high79.9Confident50 Ų5039 Ų3931%0.30724%0.238SC..EExtended strand (participates in β ladder)trans-111.9158.7171.761.70000110.3D678 V801 W805D678-T803 WeakPolarHBondContact CB-OG1 3.43Å; D678-T803 PolarHBondContact N-O 3.33Å; D678-T803 PolarHBondContact O-N 2.94Å; V801-T803 PolarHBondContact O-N 2.78Å; T803-W805 PolarHBondContact OG1-NE1 3.06Å
804Y94.6Very high81.8Confident42 Ų4238.9 Ų38.917%0.16524%0.238CC..EExtended strand (participates in β ladder)trans-128134.8-172.3-63.9-88.4000111T630 D631 Y633 Y676 K677 A802 L820T630-Y804 HydrophobicContact CG2-CD1 4.43Å; T630-Y804 HydrophobicContact CG2-CE1 4.37Å; D631-Y804 WeakPolarHBondContact O-CE1 3.47Å; D631-Y804 PolarHBondContact O-OH 3.33Å; Y633-Y804 AromaticContact CD2-CD1 3.92Å; Y633-Y804 HydrophobicContact CD2-CD1 3.92Å; Y633-Y804 HydrophobicContact CD2-CD2 4.46Å; Y633-Y804 AromaticContact CD2-CG 3.88Å; Y633-Y804 HydrophobicContact CD2-CG 3.88Å; Y633-Y804 HydrophobicContact CE2-CD1 4.1Å; Y633-Y804 AromaticContact CE2-CD2 3.82Å; Y633-Y804 HydrophobicContact CE2-CD2 3.82Å; Y633-Y804 HydrophobicContact CE2-CE2 4.48Å; Y633-Y804 AromaticContact CE2-CG 3.6Å; Y633-Y804 HydrophobicContact CE2-CG 3.6Å; Y676-Y804 WeakPolarHBondContact O-CA 3.44Å; K677-Y804 HydrophobicContact CB-CD1 4.07Å; K677-Y804 HydrophobicContact CB-CE1 3.79Å; K677-Y804 HydrophobicContact CD-CE1 3.94Å; K677-Y804 HydrophobicContact CG-CD1 4.29Å; K677-Y804 HydrophobicContact CG-CE1 3.63Å; A802-Y804 HydrophobicContact CB-CE2 4.45Å; Y804-L820 WeakPolarHBondContact O-CB 3.21Å; Y804-L820 PolarHBondContact O-N 3.29Å
805W95.3Very high83.9Confident21 Ų2136.7 Ų36.78%0.0823%0.227CC..EExtended strand (participates in β ladder)trans-136136.8-171.5-54.291.9000110.6I675 Y676 F683 T803 F807 I817 F818 C826 L903I675-W805 WeakPolarHBondContact CA-O 3.39Å; Y676-W805 PolarHBondContact N-O 3.36Å; Y676-W805 PolarHBondContact O-N 3.05Å; F683-W805 HydrophobicContact CB-CD2 4.23Å; F683-W805 HydrophobicContact CB-CH2 4.44Å; F683-W805 HydrophobicContact CB-CZ2 3.54Å; F683-W805 VanDerWaalsContact CB-NE1 3.25Å; F683-W805 HydrophobicContact CD1-CB 4.35Å; F683-W805 AromaticContact CD1-CD1 3.5Å; F683-W805 AromaticContact CD1-CD2 3.62Å; F683-W805 HydrophobicContact CD1-CD2 3.62Å; F683-W805 AromaticContact CD1-CE2 3.69Å; F683-W805 HydrophobicContact CD1-CE3 4.33Å; F683-W805 AromaticContact CD1-CG 3.55Å; F683-W805 HydrophobicContact CD1-CG 3.55Å; F683-W805 HydrophobicContact CD1-CZ2 4.45Å; F683-W805 AromaticContact CD1-NE1 3.57Å; F683-W805 HydrophobicContact CE1-CB 4.38Å; F683-W805 HydrophobicContact CE1-CD2 4.46Å; F683-W805 HydrophobicContact CE1-CG 4.03Å; F683-W805 AromaticContact CG-CD1 3.86Å; F683-W805 HydrophobicContact CG-CD2 4.33Å; F683-W805 AromaticContact CG-CE2 3.92Å; F683-W805 HydrophobicContact CG-CG 4.33Å; F683-W805 HydrophobicContact CG-CZ2 4.49Å; F683-W805 AromaticContact CG-NE1 3.58Å; F683-W805 WeakPolarHBondContact O-CZ2 3.45Å; T803-W805 PolarHBondContact OG1-NE1 3.06Å; W805-F807 HydrophobicContact CB-CD2 4.48Å; W805-F807 HydrophobicContact CB-CE2 4.05Å; W805-I817 HydrophobicContact CB-CG2 4.16Å; W805-I817 HydrophobicContact CE3-CG2 4.15Å; W805-F818 WeakPolarHBondContact CA-O 3.42Å; W805-C826 HydrophobicContact CZ3-CB 4.1Å; W805-L903 HydrophobicContact CE3-CD1 4.3Å; W805-L903 HydrophobicContact CE3-CD2 4.42Å; W805-L903 HydrophobicContact CH2-CD2 3.57Å; W805-L903 HydrophobicContact CZ2-CD2 4.12Å; W805-L903 HydrophobicContact CZ3-CD1 4.31Å; W805-L903 HydrophobicContact CZ3-CD2 3.74Å; W805-L903 HydrophobicContact CZ3-CG 4.35Å
806L95.1Very high85.8Confident4 Ų436 Ų362%0.02122%0.22CC..EExtended strand (participates in β ladder)trans-106117.2176.7171.859.5000109.5V635 I643 V645 V673 I675 V808 I817 F818 L820V635-L806 HydrophobicContact CG1-CD1 4.14Å; V635-L806 HydrophobicContact CG2-CD1 4.06Å; V635-L806 HydrophobicContact CG2-CD2 4.46Å; I643-L806 HydrophobicContact CG2-CD2 4.41Å; V645-L806 HydrophobicContact CG2-CD2 4.41Å; V673-L806 HydrophobicContact CB-CD1 4.49Å; I675-L806 HydrophobicContact CG1-CD1 4.31Å; L806-V808 HydrophobicContact CD1-CG2 4.23Å; L806-V808 HydrophobicContact CD2-CG2 4.15Å; L806-V808 HydrophobicContact CG-CG2 3.8Å; L806-I817 CarbonylContact O-C 3.56Å; L806-I817 WeakPolarHBondContact O-CA 3.48Å; L806-F818 HydrophobicContact CB-CB 4.28Å; L806-F818 PolarHBondContact N-O 2.85Å; L806-F818 PolarHBondContact O-N 3.44Å; L806-L820 HydrophobicContact CB-CD1 4.18Å; L806-L820 HydrophobicContact CB-CD2 4.24Å; L806-L820 HydrophobicContact CB-CG 4.2Å
807F96.6Very high87.4Confident2 Ų233.5 Ų33.51%0.00921%0.207CC..EExtended strand (participates in β ladder)trans-94.5128.3174.1-73.7-112.9000109.2V673 S674 Y676 F683 W805 L815 E816 I817 V866 I878 F907V673-F807 WeakPolarHBondContact CA-O 3.39Å; S674-F807 PolarHBondContact N-O 3.01Å; S674-F807 PolarHBondContact O-N 3.38Å; Y676-F807 HydrophobicContact CD1-CE2 4.48Å; F683-F807 HydrophobicContact CE1-CE2 4.01Å; F683-F807 AromaticContact CE1-CZ 3.75Å; F683-F807 HydrophobicContact CE1-CZ 3.75Å; F683-F807 HydrophobicContact CZ-CE2 4.4Å; F683-F807 AromaticContact CZ-CZ 3.96Å; F683-F807 HydrophobicContact CZ-CZ 3.96Å; W805-F807 HydrophobicContact CB-CD2 4.48Å; W805-F807 HydrophobicContact CB-CE2 4.05Å; F807-L815 HydrophobicContact CB-CD1 4.37Å; F807-L815 HydrophobicContact CD1-CD1 4.14Å; F807-E816 WeakPolarHBondContact CA-O 3.34Å; F807-I817 HydrophobicContact CD1-CD1 4.03Å; F807-I817 HydrophobicContact CD1-CG1 3.82Å; F807-I817 HydrophobicContact CD2-CG2 4.37Å; F807-I817 HydrophobicContact CE1-CD1 3.36Å; F807-I817 HydrophobicContact CE1-CG1 3.68Å; F807-I817 HydrophobicContact CE2-CD1 4.45Å; F807-I817 HydrophobicContact CE2-CG2 4.09Å; F807-I817 HydrophobicContact CG-CG1 4.32Å; F807-I817 HydrophobicContact CZ-CD1 3.62Å; F807-I817 HydrophobicContact CZ-CG1 4.08Å; F807-I817 HydrophobicContact CZ-CG2 4.25Å; F807-V866 HydrophobicContact CB-CG2 4.16Å; F807-V866 HydrophobicContact CD1-CG2 3.79Å; F807-V866 HydrophobicContact CD2-CB 4.34Å; F807-V866 HydrophobicContact CD2-CG1 4.37Å; F807-V866 HydrophobicContact CD2-CG2 3.97Å; F807-V866 HydrophobicContact CE1-CG1 4.44Å; F807-V866 HydrophobicContact CE1-CG2 4.12Å; F807-V866 HydrophobicContact CE2-CB 4.43Å; F807-V866 HydrophobicContact CE2-CG1 3.95Å; F807-V866 HydrophobicContact CE2-CG2 4.3Å; F807-V866 HydrophobicContact CG-CG2 3.71Å; F807-V866 HydrophobicContact CZ-CG1 3.99Å; F807-V866 HydrophobicContact CZ-CG2 4.36Å; F807-I878 HydrophobicContact CD1-CD1 4.35Å; F807-I878 HydrophobicContact CE1-CD1 3.84Å; F807-I878 HydrophobicContact CE1-CG1 4.23Å; F807-F907 HydrophobicContact CE1-CZ 4.09Å; F807-F907 HydrophobicContact CZ-CZ 4.26Å
808V94.4Very high88.9Confident1 Ų131.4 Ų31.41%0.00619%0.192CC..EExtended strand (participates in β ladder)trans-128.8119-177.5-178.10000109.8I643 A670 V673 L806 R810 L815 E816 F818I643-V808 HydrophobicContact CD1-CB 4.27Å; I643-V808 HydrophobicContact CD1-CG1 3.56Å; I643-V808 HydrophobicContact CD1-CG2 3.64Å; A670-V808 HydrophobicContact CB-CG1 3.78Å; V673-V808 HydrophobicContact CG1-CG1 4.42Å; V673-V808 HydrophobicContact CG1-CG2 4.36Å; L806-V808 HydrophobicContact CD1-CG2 4.23Å; L806-V808 HydrophobicContact CD2-CG2 4.15Å; L806-V808 HydrophobicContact CG-CG2 3.8Å; V808-R810 HydrophobicContact CG1-CG 4.09Å; V808-L815 WeakPolarHBondContact O-CA 3.32Å; V808-E816 PolarHBondContact N-O 2.98Å; V808-E816 PolarHBondContact O-N 3.36Å; V808-F818 HydrophobicContact CB-CE2 4.28Å; V808-F818 HydrophobicContact CG2-CD2 3.97Å; V808-F818 HydrophobicContact CG2-CE2 3.97Å
809C94.3Very high90.1Very high1 Ų127.4 Ų27.41%0.00716%0.164CC..EExtended strand (participates in β ladder)trans-95.9126.8168.2-72.80000109.7V671 A672 M814 L815 V861 V864V671-C809 PolarHBondContact N-O 2.98Å; A672-C809 HydrophobicContact CB-CB 4.23Å; A672-C809 PolarHBondContact N-O 3.29Å; A672-C809 PolarHBondContact O-N 2.71Å; C809-M814 WeakPolarHBondContact CA-O 3.36Å; C809-L815 VanDerWaalsContact SG-CD1 3.54Å; C809-V861 HydrophobicContact CB-CB 4.27Å; C809-V861 HydrophobicContact CB-CG1 4.19Å; C809-V861 HydrophobicContact CB-CG2 4.22Å; C809-V864 VanDerWaalsContact SG-CG2 3.58Å
810R91.6Very high91.1Very high12 Ų1224.1 Ų24.15%0.04514%0.144CC..EExtended strand (participates in β ladder)trans-103.1160.4-178.4-61.9-149.9-169.4-121.32.3113Y665 V668 V808 N812 G813 M814 E816Y665-R810 PolarHBondContact O-NH1 3.09Å; Y665-R810 PolarHBondContact O-NH2 3.42Å; V668-R810 HydrophobicContact CG1-CB 3.94Å; V668-R810 PolarHBondContact O-NH1 3.36Å; V808-R810 HydrophobicContact CG1-CG 4.09Å; R810-N812 VanDerWaalsContact CB-OD1 3.29Å; R810-N812 WeakPolarHBondContact CB-OD1 3.46Å; R810-N812 PolarHBondContact O-N 2.77Å; R810-G813 PolarHBondContact O-N 3.35Å; R810-M814 PolarHBondContact N-O 3.19Å; R810-E816 IonicContact CZ-OE1 2.69Å; R810-E816 IonicContact CZ-OE2 2.73Å; R810-E816 VanDerWaalsContact NE-CD 3.28Å; R810-E816 IonicContact NE-OE1 2.74Å; R810-E816 PolarHBondContact NE-OE1 2.77Å; R810-E816 IonicContact NE-OE2 3.65Å; R810-E816 PolarHBondContact NE-OE2 2.71Å; R810-E816 IonicContact NH2-OE1 2.69Å; R810-E816 IonicContact NH2-OE2 2.72Å; R810-E816 PolarHBondContact NH2-OE2 2.86Å
811A87.8Confident91.5Very high63 Ų6325.8 Ų25.852%0.52116%0.155SC..THydrogen-bonded Turntrans-63.8-20.3-178.100000114.2P669 V671 G813P669-A811 HydrophobicContact CG-CB 3.94Å; P669-A811 PolarHBondContact O-N 2.93Å; V671-A811 HydrophobicContact CG2-CB 3.76Å; A811-G813 VanDerWaalsContact C-N 3.26Å
812N86.9Confident91.7Very high44 Ų4426.2 Ų26.224%0.23515%0.154CC..THydrogen-bonded Turntrans-857.117370.2-19.3000113.5V668 R810 M814V668-N812 HydrophobicContact CG1-CB 4.23Å; R810-N812 VanDerWaalsContact CB-OD1 3.29Å; R810-N812 WeakPolarHBondContact CB-OD1 3.46Å; R810-N812 PolarHBondContact O-N 2.77Å; N812-M814 VanDerWaalsContact ND2-CE 3.26Å; N812-M814 WeakPolarHBondContact ND2-CE 3.47Å; N812-M814 PolarHBondContact ND2-SD 3.02Å; N812-M814 VanDerWaalsContact ND2-SD 3.4Å; N812-M814 WeakPolarHBondContact OD1-CG 3.25Å; N812-M814 PolarHBondContact OD1-N 3.4Å
813G88.1Confident91.7Very high4 Ų426.3 Ų26.34%0.04115%0.148CC..SBendtrans83.98.8176.900000115.2R810 A811 N831 F832 P833R810-G813 PolarHBondContact O-N 3.35Å; A811-G813 VanDerWaalsContact C-N 3.26Å; G813-N831 PolarHBondContact O-N 3.43Å; G813-F832 PolarHBondContact O-N 2.53Å; G813-P833 VanDerWaalsContact O-CD 3.28Å; G813-P833 WeakPolarHBondContact O-CD 3.15Å
814M90.9Very high91.6Very high29 Ų2926.1 Ų26.114%0.14315%0.148CC..  trans-81.5140.5172.8-60.7-172.8-41.400111.4C809 R810 N812 E816 V829 L847C809-M814 WeakPolarHBondContact CA-O 3.36Å; R810-M814 PolarHBondContact N-O 3.19Å; N812-M814 VanDerWaalsContact ND2-CE 3.26Å; N812-M814 WeakPolarHBondContact ND2-CE 3.47Å; N812-M814 PolarHBondContact ND2-SD 3.02Å; N812-M814 VanDerWaalsContact ND2-SD 3.4Å; N812-M814 WeakPolarHBondContact OD1-CG 3.25Å; N812-M814 PolarHBondContact OD1-N 3.4Å; M814-E816 VanDerWaalsContact CE-OE1 3.25Å; M814-E816 WeakPolarHBondContact CE-OE1 3.26Å; M814-V829 WeakPolarHBondContact CA-O 3.48Å; M814-L847 HydrophobicContact SD-CD2 4.3Å
815L94.6Very high91.3Very high1 Ų126.7 Ų26.71%0.00515%0.154CC..EExtended strand (participates in β ladder)trans-108.5122165167.371000108.6F807 V808 C809 V829 F832 I878F807-L815 HydrophobicContact CB-CD1 4.37Å; F807-L815 HydrophobicContact CD1-CD1 4.14Å; V808-L815 WeakPolarHBondContact O-CA 3.32Å; C809-L815 VanDerWaalsContact SG-CD1 3.54Å; L815-V829 HydrophobicContact CB-CB 4.19Å; L815-V829 HydrophobicContact CD2-CG2 4.49Å; L815-V829 PolarHBondContact N-O 2.89Å; L815-V829 PolarHBondContact O-N 3.06Å; L815-F832 HydrophobicContact CB-CB 3.9Å; L815-F832 HydrophobicContact CB-CD1 4.34Å; L815-F832 HydrophobicContact CB-CD2 4.17Å; L815-F832 HydrophobicContact CB-CG 3.89Å; L815-F832 HydrophobicContact CD2-CD2 3.74Å; L815-F832 HydrophobicContact CD2-CE2 3.77Å; L815-F832 HydrophobicContact CD2-CG 4.26Å; L815-F832 HydrophobicContact CD2-CZ 4.29Å; L815-I878 HydrophobicContact CD2-CD1 4.34Å
816E93.7Very high91.1Very high17 Ų1726.1 Ų26.18%0.07915%0.153CC..EExtended strand (participates in β ladder)trans-117.2141.5-178.3-66.4171.8176.600110.5F807 V808 R810 M814 F818 L825 Y827F807-E816 WeakPolarHBondContact CA-O 3.34Å; V808-E816 PolarHBondContact N-O 2.98Å; V808-E816 PolarHBondContact O-N 3.36Å; R810-E816 IonicContact CZ-OE1 2.69Å; R810-E816 IonicContact CZ-OE2 2.73Å; R810-E816 VanDerWaalsContact NE-CD 3.28Å; R810-E816 IonicContact NE-OE1 2.74Å; R810-E816 PolarHBondContact NE-OE1 2.77Å; R810-E816 IonicContact NE-OE2 3.65Å; R810-E816 PolarHBondContact NE-OE2 2.71Å; R810-E816 IonicContact NH2-OE1 2.69Å; R810-E816 IonicContact NH2-OE2 2.72Å; R810-E816 PolarHBondContact NH2-OE2 2.86Å; M814-E816 VanDerWaalsContact CE-OE1 3.25Å; M814-E816 WeakPolarHBondContact CE-OE1 3.26Å; E816-F818 HydrophobicContact CB-CD2 4.36Å; E816-F818 HydrophobicContact CB-CE2 3.63Å; E816-F818 HydrophobicContact CB-CZ 4.19Å; E816-F818 WeakPolarHBondContact OE2-CE2 3.06Å; E816-F818 VanDerWaalsContact OE2-CZ 3.28Å; E816-F818 WeakPolarHBondContact OE2-CZ 3.39Å; E816-L825 HydrophobicContact CB-CD1 3.81Å; E816-L825 HydrophobicContact CG-CD1 4.09Å; E816-Y827 WeakPolarHBondContact CA-O 3.43Å
817I95Very high91Very high0 Ų026 Ų260%015%0.152CC..EExtended strand (participates in β ladder)trans-116.6123175.1-50.4178.1000109.1W805 L806 F807 C826 Y827 L903 F907W805-I817 HydrophobicContact CB-CG2 4.16Å; W805-I817 HydrophobicContact CE3-CG2 4.15Å; L806-I817 CarbonylContact O-C 3.56Å; L806-I817 WeakPolarHBondContact O-CA 3.48Å; F807-I817 HydrophobicContact CD1-CD1 4.03Å; F807-I817 HydrophobicContact CD1-CG1 3.82Å; F807-I817 HydrophobicContact CD2-CG2 4.37Å; F807-I817 HydrophobicContact CE1-CD1 3.36Å; F807-I817 HydrophobicContact CE1-CG1 3.68Å; F807-I817 HydrophobicContact CE2-CD1 4.45Å; F807-I817 HydrophobicContact CE2-CG2 4.09Å; F807-I817 HydrophobicContact CG-CG1 4.32Å; F807-I817 HydrophobicContact CZ-CD1 3.62Å; F807-I817 HydrophobicContact CZ-CG1 4.08Å; F807-I817 HydrophobicContact CZ-CG2 4.25Å; I817-C826 PolarHBondContact O-N 2.77Å; I817-Y827 HydrophobicContact CD1-CD1 3.84Å; I817-Y827 HydrophobicContact CD1-CG 3.94Å; I817-Y827 HydrophobicContact CG1-CD1 4.41Å; I817-Y827 HydrophobicContact CG1-CG 4.48Å; I817-Y827 PolarHBondContact N-O 3.48Å; I817-Y827 PolarHBondContact O-N 2.84Å; I817-L903 HydrophobicContact CD1-CD1 4.29Å; I817-L903 HydrophobicContact CG2-CD1 4.04Å; I817-F907 HydrophobicContact CD1-CE2 4.11Å; I817-F907 HydrophobicContact CD1-CZ 4.13Å
818F93.7Very high90.8Very high8 Ų826 Ų264%0.03515%0.153CC..EExtended strand (participates in β ladder)trans-110142177.2-63-91.9000111.4Y665 W805 L806 V808 E816 S824 L825Y665-F818 AromaticContact CD1-CE1 3.84Å; Y665-F818 HydrophobicContact CD1-CE1 3.84Å; Y665-F818 HydrophobicContact CD1-CZ 4.36Å; Y665-F818 HydrophobicContact CD2-CE1 4.2Å; Y665-F818 HydrophobicContact CE1-CE1 4.19Å; Y665-F818 AromaticContact CG-CE1 3.84Å; Y665-F818 HydrophobicContact CG-CE1 3.84Å; Y665-F818 HydrophobicContact CG-CZ 4.32Å; W805-F818 WeakPolarHBondContact CA-O 3.42Å; L806-F818 HydrophobicContact CB-CB 4.28Å; L806-F818 PolarHBondContact N-O 2.85Å; L806-F818 PolarHBondContact O-N 3.44Å; V808-F818 HydrophobicContact CB-CE2 4.28Å; V808-F818 HydrophobicContact CG2-CD2 3.97Å; V808-F818 HydrophobicContact CG2-CE2 3.97Å; E816-F818 HydrophobicContact CB-CD2 4.36Å; E816-F818 HydrophobicContact CB-CE2 3.63Å; E816-F818 HydrophobicContact CB-CZ 4.19Å; E816-F818 WeakPolarHBondContact OE2-CE2 3.06Å; E816-F818 VanDerWaalsContact OE2-CZ 3.28Å; E816-F818 WeakPolarHBondContact OE2-CZ 3.39Å; F818-S824 CarbonylContact C-O 3.48Å; F818-S824 VanDerWaalsContact CA-O 3.28Å; F818-S824 WeakPolarHBondContact CA-O 3.37Å; F818-L825 HydrophobicContact CD1-CB 4.15Å; F818-L825 HydrophobicContact CD1-CD1 4.29Å; F818-L825 HydrophobicContact CE1-CB 3.88Å; F818-L825 HydrophobicContact CE1-CD1 3.86Å; F818-L825 HydrophobicContact CE1-CG 4.44Å; F818-L825 HydrophobicContact CE2-CD1 4.23Å; F818-L825 HydrophobicContact CZ-CD1 3.82Å
819S92.6Very high90.8Very high13 Ų1326.2 Ų26.29%0.09115%0.154CC..EExtended strand (participates in β ladder)trans-74.7142.7170.175.20000111.2Y823 S824S819-Y823 VanDerWaalsContact O-CA 3.25Å; S819-Y823 WeakPolarHBondContact O-CA 3.48Å; S819-Y823 PolarHBondContact O-N 3.35Å; S819-S824 WeakPolarHBondContact CB-OG 3.5Å; S819-S824 PolarHBondContact N-O 3.01Å; S819-S824 PolarHBondContact OG-N 3.01Å; S819-S824 PolarHBondContact OG-OG 2.88Å
820L90.8Very high90.5Very high16 Ų1628.5 Ų28.58%0.08416%0.163CC..EExtended strand (participates in β ladder)trans-112.9134.6171.3-63.9176000110.2Y633 I675 Y804 L806 Y823Y633-L820 HydrophobicContact CD1-CD1 4.27Å; Y633-L820 HydrophobicContact CD2-CD1 4.1Å; Y633-L820 HydrophobicContact CE1-CB 4.18Å; Y633-L820 HydrophobicContact CE2-CB 4.08Å; Y633-L820 HydrophobicContact CE2-CD1 4.46Å; Y633-L820 HydrophobicContact CG-CD1 4Å; I675-L820 HydrophobicContact CG2-CD1 4.03Å; Y804-L820 WeakPolarHBondContact O-CB 3.21Å; Y804-L820 PolarHBondContact O-N 3.29Å; L806-L820 HydrophobicContact CB-CD1 4.18Å; L806-L820 HydrophobicContact CB-CD2 4.24Å; L806-L820 HydrophobicContact CB-CG 4.2Å; L820-Y823 HydrophobicContact CD2-CD1 3.84Å; L820-Y823 HydrophobicContact CD2-CE1 3.29Å
821P85.6Confident90.3Very high63 Ų6329.9 Ų29.941%0.40917%0.171SC..THydrogen-bonded Turncis-92.42.29.136-35.3000115.2Y633 Y823Y633-P821 HydrophobicContact CE1-CB 4.27Å; Y633-P821 WeakPolarHBondContact OH-CB 3.34Å; P821-Y823 VanDerWaalsContact C-N 3.32Å; P821-Y823 WeakPolarHBondContact O-CD2 3.44Å; P821-Y823 VanDerWaalsContact O-CE2 3.22Å; P821-Y823 WeakPolarHBondContact O-CE2 3.48Å; P821-Y823 PolarHBondContact O-N 3.21Å
822N86.8Confident90.6Very high130 Ų13026.9 Ų26.970%0.69515%0.146SC*.THydrogen-bonded Turntrans-76-16.5-167.7-66.6-11.4000114.3S824N822-S824 PolarHBondContact O-N 3.23Å
823Y85.4Confident90.8Very high31 Ų3125 Ų2512%0.12214%0.136CC..  trans52.134.5-173.6-56.3-77.8000113.4V645 S660 P662 Y665 S819 L820 P821V645-Y823 HydrophobicContact CB-CE1 3.99Å; V645-Y823 WeakPolarHBondContact CB-OH 3.48Å; V645-Y823 HydrophobicContact CG1-CE1 4.12Å; V645-Y823 WeakPolarHBondContact CG1-OH 3.33Å; V645-Y823 HydrophobicContact CG2-CE1 3.7Å; S660-Y823 PolarHBondContact OG-OH 3.35Å; P662-Y823 HydrophobicContact CB-CD1 4.43Å; P662-Y823 HydrophobicContact CB-CG 4.39Å; Y665-Y823 VanDerWaalsContact CE2-O 3.22Å; Y665-Y823 WeakPolarHBondContact CE2-O 3.02Å; Y665-Y823 PolarHBondContact OH-O 2.88Å; S819-Y823 VanDerWaalsContact O-CA 3.25Å; S819-Y823 WeakPolarHBondContact O-CA 3.48Å; S819-Y823 PolarHBondContact O-N 3.35Å; L820-Y823 HydrophobicContact CD2-CD1 3.84Å; L820-Y823 HydrophobicContact CD2-CE1 3.29Å; P821-Y823 VanDerWaalsContact C-N 3.32Å; P821-Y823 WeakPolarHBondContact O-CD2 3.44Å; P821-Y823 VanDerWaalsContact O-CE2 3.22Å; P821-Y823 WeakPolarHBondContact O-CE2 3.48Å; P821-Y823 PolarHBondContact O-N 3.21Å
824S89.3Confident90.8Very high46 Ų4624.9 Ų24.932%0.32213%0.134SC..  trans-79129.717063.90000108.7F818 S819 N822 C826F818-S824 CarbonylContact C-O 3.48Å; F818-S824 VanDerWaalsContact CA-O 3.28Å; F818-S824 WeakPolarHBondContact CA-O 3.37Å; S819-S824 WeakPolarHBondContact CB-OG 3.5Å; S819-S824 PolarHBondContact N-O 3.01Å; S819-S824 PolarHBondContact OG-N 3.01Å; S819-S824 PolarHBondContact OG-OG 2.88Å; N822-S824 PolarHBondContact O-N 3.23Å; S824-C826 PolarHBondContact O-N 2.68Å; S824-C826 PolarHBondContact O-SG 2.85Å; S824-C826 PolarHBondContact OG-SG 2.83Å
825L89.7Confident90.7Very high54 Ų5423.5 Ų23.528%0.28313%0.128SC..EExtended strand (participates in β ladder)trans-64.6124.8167.9-177.263.7000108.5E816 F818 V828E816-L825 HydrophobicContact CB-CD1 3.81Å; E816-L825 HydrophobicContact CG-CD1 4.09Å; F818-L825 HydrophobicContact CD1-CB 4.15Å; F818-L825 HydrophobicContact CD1-CD1 4.29Å; F818-L825 HydrophobicContact CE1-CB 3.88Å; F818-L825 HydrophobicContact CE1-CD1 3.86Å; F818-L825 HydrophobicContact CE1-CG 4.44Å; F818-L825 HydrophobicContact CE2-CD1 4.23Å; F818-L825 HydrophobicContact CZ-CD1 3.82Å; L825-V828 HydrophobicContact CD1-CG2 3.92Å; L825-V828 HydrophobicContact CD2-CG2 3.68Å; L825-V828 HydrophobicContact CG-CG2 3.96Å
826C90.9Very high90.6Very high9 Ų926.7 Ų26.76%0.06114%0.142CC..EExtended strand (participates in β ladder)trans-125.1-5.3-173.7-66.40000113.3W805 I817 S824 H902 L903W805-C826 HydrophobicContact CZ3-CB 4.1Å; I817-C826 PolarHBondContact O-N 2.77Å; S824-C826 PolarHBondContact O-N 2.68Å; S824-C826 PolarHBondContact O-SG 2.85Å; S824-C826 PolarHBondContact OG-SG 2.83Å; C826-H902 CarbonylContact O-C 3.51Å; C826-H902 WeakPolarHBondContact O-CA 3.31Å; C826-H902 WeakPolarHBondContact O-CB 3.35Å; C826-L903 HydrophobicContact CB-CG 4.1Å; C826-L903 PolarHBondContact O-N 2.93Å
827Y93.1Very high90.4Very high1 Ų129.9 Ų29.90%0.00416%0.157CC..EExtended strand (participates in β ladder)trans-166.7141178.7-152.5-98.7000110.9E816 I817 V829 F840 D841 L903 L905 F907E816-Y827 WeakPolarHBondContact CA-O 3.43Å; I817-Y827 HydrophobicContact CD1-CD1 3.84Å; I817-Y827 HydrophobicContact CD1-CG 3.94Å; I817-Y827 HydrophobicContact CG1-CD1 4.41Å; I817-Y827 HydrophobicContact CG1-CG 4.48Å; I817-Y827 PolarHBondContact N-O 3.48Å; I817-Y827 PolarHBondContact O-N 2.84Å; Y827-V829 HydrophobicContact CD1-CG2 3.82Å; Y827-V829 HydrophobicContact CE1-CG2 3.51Å; Y827-F840 VanDerWaalsContact OH-CA 3.23Å; Y827-F840 WeakPolarHBondContact OH-CA 3.36Å; Y827-D841 WeakPolarHBondContact CA-OD1 3.39Å; Y827-D841 HydrophobicContact CD2-CB 3.74Å; Y827-D841 HydrophobicContact CE1-CB 4.35Å; Y827-D841 HydrophobicContact CE2-CB 3.51Å; Y827-D841 HydrophobicContact CG-CB 4.31Å; Y827-D841 VanDerWaalsContact CZ-N 3.32Å; Y827-D841 PolarHBondContact OH-N 3.17Å; Y827-L903 HydrophobicContact CD2-CB 3.92Å; Y827-L903 HydrophobicContact CE2-CB 4.45Å; Y827-L905 HydrophobicContact CE2-CD1 4.29Å; Y827-L905 VanDerWaalsContact CE2-O 3.28Å; Y827-L905 WeakPolarHBondContact CE2-O 3.31Å; Y827-L905 PolarHBondContact OH-O 2.74Å; Y827-F907 HydrophobicContact CE1-CD2 4.35Å; Y827-F907 HydrophobicContact CE1-CE2 4.09Å
828V92.6Very high90.2Very high4 Ų431.2 Ų31.22%0.02417%0.166CC..EExtended strand (participates in β ladder)trans-136.9127.2177.4-174.80000111L825 D841 T842 L847L825-V828 HydrophobicContact CD1-CG2 3.92Å; L825-V828 HydrophobicContact CD2-CG2 3.68Å; L825-V828 HydrophobicContact CG-CG2 3.96Å; V828-D841 PolarHBondContact N-OD1 3.11Å; V828-D841 CarbonylContact O-C 3.59Å; V828-T842 WeakPolarHBondContact O-CB 3.49Å; V828-T842 PolarHBondContact O-N 2.88Å; V828-T842 PolarHBondContact O-OG1 2.91Å; V828-L847 HydrophobicContact CB-CD1 4.44Å; V828-L847 HydrophobicContact CG1-CD1 4.11Å; V828-L847 HydrophobicContact CG1-CD2 4.5Å
829V92.6Very high90.2Very high5 Ų531 Ų313%0.0317%0.165CC..EExtended strand (participates in β ladder)trans-116.6123.7172.81800000109.2M814 L815 Y827 L839M814-V829 WeakPolarHBondContact CA-O 3.48Å; L815-V829 HydrophobicContact CB-CB 4.19Å; L815-V829 HydrophobicContact CD2-CG2 4.49Å; L815-V829 PolarHBondContact N-O 2.89Å; L815-V829 PolarHBondContact O-N 3.06Å; Y827-V829 HydrophobicContact CD1-CG2 3.82Å; Y827-V829 HydrophobicContact CE1-CG2 3.51Å; V829-L839 HydrophobicContact CG1-CB 4.17Å; V829-L839 HydrophobicContact CG1-CD2 4.05Å; V829-L839 HydrophobicContact CG2-CB 4.12Å
830R89Confident90.1Very high49 Ų4935.8 Ų35.819%0.18519%0.185CC..SBendtrans-82.4153.3172.4-68.7-162.5-160.7172.229.2112.8F832 T842 Q846 L847R830-F832 PolarHBondContact O-N 3.06Å; R830-F832 VanDerWaalsContact O-N 3.09Å; R830-T842 HydrophobicContact CG-CG2 4.08Å; R830-Q846 PolarHBondContact NH2-O 2.73Å; R830-L847 HydrophobicContact CG-CD2 4.22Å
831N88.3Confident90.1Very high41 Ų4135.6 Ų35.622%0.21918%0.184CC..SBendtrans51.736.5170.9-69-24000112.8G813 P833 S834 F836G813-N831 PolarHBondContact O-N 3.43Å; N831-P833 VanDerWaalsContact C-N 3.26Å; N831-S834 WeakPolarHBondContact O-CB 3.18Å; N831-S834 PolarHBondContact O-N 3.1Å; N831-S834 PolarHBondContact O-OG 2.79Å; N831-S834 VanDerWaalsContact O-OG 3.1Å; N831-F836 HydrophobicContact CB-CE2 3.93Å; N831-F836 HydrophobicContact CB-CZ 4.34Å
832F92.5Very high90.2Very high0 Ų033.1 Ų33.10%017%0.168CC..G310 helixtrans-50.1-38.8179.3177-108.2000113.2G813 L815 R830 S834 G835 L839 V861 V864 I878 A880 I882 Y889G813-F832 PolarHBondContact O-N 2.53Å; L815-F832 HydrophobicContact CB-CB 3.9Å; L815-F832 HydrophobicContact CB-CD1 4.34Å; L815-F832 HydrophobicContact CB-CD2 4.17Å; L815-F832 HydrophobicContact CB-CG 3.89Å; L815-F832 HydrophobicContact CD2-CD2 3.74Å; L815-F832 HydrophobicContact CD2-CE2 3.77Å; L815-F832 HydrophobicContact CD2-CG 4.26Å; L815-F832 HydrophobicContact CD2-CZ 4.29Å; R830-F832 PolarHBondContact O-N 3.06Å; R830-F832 VanDerWaalsContact O-N 3.09Å; F832-S834 PolarHBondContact O-N 2.94Å; F832-G835 PolarHBondContact O-N 3.29Å; F832-G835 VanDerWaalsContact O-N 3.09Å; F832-L839 HydrophobicContact CD2-CD1 3.84Å; F832-L839 HydrophobicContact CD2-CD2 4.46Å; F832-L839 HydrophobicContact CE2-CD1 3.67Å; F832-V861 HydrophobicContact CD1-CG2 3.98Å; F832-V861 HydrophobicContact CE1-CG2 4.36Å; F832-V864 HydrophobicContact CE1-CG2 4.25Å; F832-I878 HydrophobicContact CZ-CG2 4.34Å; F832-A880 HydrophobicContact CE1-CB 3.94Å; F832-A880 HydrophobicContact CZ-CB 3.81Å; F832-I882 HydrophobicContact CD1-CD1 4.24Å; F832-I882 HydrophobicContact CE1-CD1 4.01Å; F832-Y889 HydrophobicContact CE2-CD2 4.4Å; F832-Y889 HydrophobicContact CE2-CE2 4.08Å
833P91.1Very high89.9Confident3 Ų329.3 Ų29.32%0.01915%0.147CC..G310 helixtrans-59.3-16.6174.1-24.534.4000116.1G813 N831 G835 V859 V861 I882G813-P833 VanDerWaalsContact O-CD 3.28Å; G813-P833 WeakPolarHBondContact O-CD 3.15Å; N831-P833 VanDerWaalsContact C-N 3.26Å; P833-G835 PolarHBondContact O-N 3.19Å; P833-V859 HydrophobicContact CB-CB 3.94Å; P833-V859 HydrophobicContact CB-CG1 3.69Å; P833-V859 WeakPolarHBondContact CB-O 3.47Å; P833-V861 HydrophobicContact CG-CG2 3.88Å; P833-I882 HydrophobicContact CB-CG2 4.15Å
834S89.5Confident89.3Confident2 Ų230.8 Ų30.81%0.01416%0.161CC..G310 helixtrans-72-17.2176.9-55.10000113.1N831 F832 V1410 H1411N831-S834 WeakPolarHBondContact O-CB 3.18Å; N831-S834 PolarHBondContact O-N 3.1Å; N831-S834 PolarHBondContact O-OG 2.79Å; N831-S834 VanDerWaalsContact O-OG 3.1Å; F832-S834 PolarHBondContact O-N 2.94Å; S834-V1410 WeakPolarHBondContact O-CB 3.5Å; S834-V1410 WeakPolarHBondContact O-CG2 3.37Å; S834-V1410 PolarHBondContact O-N 2.82Å; S834-H1411 PolarHBondContact OG-NE2 3.4Å; S834-H1411 VanDerWaalsContact OG-NE2 3.16Å
835G89.1Confident88.3Confident0 Ų034.6 Ų34.60%018%0.175CC..  trans64.245.8174.100000114.3F832 P833 Y889 R909F832-G835 PolarHBondContact O-N 3.29Å; F832-G835 VanDerWaalsContact O-N 3.09Å; P833-G835 PolarHBondContact O-N 3.19Å; G835-Y889 VanDerWaalsContact CA-OH 3.27Å; G835-Y889 WeakPolarHBondContact CA-OH 3.33Å; G835-R909 PolarHBondContact O-NH1 2.83Å
836F91.5Very high87.2Confident69 Ų6937.2 Ų37.230%0.30319%0.185SC..  trans-56.3152.6178.4-61.7-66.4000112.8N831 S838 L839 Y889N831-F836 HydrophobicContact CB-CE2 3.93Å; N831-F836 HydrophobicContact CB-CZ 4.34Å; F836-S838 VanDerWaalsContact C-N 3.27Å; F836-S838 PolarHBondContact O-N 3.25Å; F836-L839 HydrophobicContact CB-CD2 4.3Å; F836-Y889 PolarHBondContact N-OH 3.38Å; F836-Y889 WeakPolarHBondContact O-CE1 3.49Å; F836-Y889 PolarHBondContact O-OH 3.39Å
837Q90.1Very high86.1Confident83 Ų8339.3 Ų39.339%0.38820%0.196SC..SBendtrans-61.8-31.9177.4-66.7-52.8-53.800114.1R909 S1407 D1409Q837-R909 WeakPolarHBondContact O-CB 3.38Å; Q837-R909 PolarHBondContact O-N 2.91Å; Q837-S1407 PolarHBondContact NE2-O 2.84Å; Q837-D1409 WeakPolarHBondContact CG-OD1 3.3Å; Q837-D1409 PolarHBondContact N-OD1 2.87Å; Q837-D1409 VanDerWaalsContact N-OD1 3.1Å; Q837-D1409 PolarHBondContact NE2-OD1 3.42Å
838S90.4Very high84.7Confident29 Ų2943.5 Ų43.520%0.20323%0.225CC..EExtended strand (participates in β ladder)trans-135.5135.2177.2-174.50000109.1F836 F907F836-S838 VanDerWaalsContact C-N 3.27Å; F836-S838 PolarHBondContact O-N 3.25Å; S838-F907 CarbonylContact C-O 3.58Å; S838-F907 VanDerWaalsContact CA-O 3.28Å; S838-F907 WeakPolarHBondContact CA-O 3.3Å
839L92.8Very high83.2Confident2 Ų249 Ų491%0.0125%0.254CS..EExtended strand (participates in β ladder)trans-102.4134.7171.1-42.8175.3000108.8V829 F832 F836 Y889 R906 F907V829-L839 HydrophobicContact CG1-CB 4.17Å; V829-L839 HydrophobicContact CG1-CD2 4.05Å; V829-L839 HydrophobicContact CG2-CB 4.12Å; F832-L839 HydrophobicContact CD2-CD1 3.84Å; F832-L839 HydrophobicContact CD2-CD2 4.46Å; F832-L839 HydrophobicContact CE2-CD1 3.67Å; F836-L839 HydrophobicContact CB-CD2 4.3Å; L839-Y889 HydrophobicContact CD1-CD1 3.77Å; L839-Y889 HydrophobicContact CD1-CD2 4.1Å; L839-Y889 HydrophobicContact CD1-CE1 3.78Å; L839-Y889 HydrophobicContact CD1-CE2 4.09Å; L839-Y889 HydrophobicContact CD1-CG 3.95Å; L839-Y889 HydrophobicContact CD2-CE1 3.8Å; L839-Y889 HydrophobicContact CG-CD1 3.8Å; L839-Y889 HydrophobicContact CG-CE1 3.54Å; L839-Y889 HydrophobicContact CG-CG 4.48Å; L839-R906 WeakPolarHBondContact O-CA 3.47Å; L839-F907 HydrophobicContact CB-CB 4.02Å; L839-F907 HydrophobicContact CB-CD2 4.33Å; L839-F907 HydrophobicContact CD1-CB 4.14Å; L839-F907 HydrophobicContact CG-CB 4.2Å; L839-F907 PolarHBondContact N-O 3.06Å; L839-F907 PolarHBondContact O-N 2.88Å
840F91.6Very high81.5Confident115 Ų11552.4 Ų52.450%0.50427%0.272SS..  trans-137.7159.1178.458.3-89.4000109.5Y827 R906Y827-F840 VanDerWaalsContact OH-CA 3.23Å; Y827-F840 WeakPolarHBondContact OH-CA 3.36Å; F840-R906 HydrophobicContact CB-CG 4.24Å
841D91.4Very high79.8Confident12 Ų1254.1 Ų54.16%0.06429%0.289CS..PPolyproline II helixtrans-67.8139.1179.9-167.928.4000111.7Y827 V828 P898 H902Y827-D841 WeakPolarHBondContact CA-OD1 3.39Å; Y827-D841 HydrophobicContact CD2-CB 3.74Å; Y827-D841 HydrophobicContact CE1-CB 4.35Å; Y827-D841 HydrophobicContact CE2-CB 3.51Å; Y827-D841 HydrophobicContact CG-CB 4.31Å; Y827-D841 VanDerWaalsContact CZ-N 3.32Å; Y827-D841 PolarHBondContact OH-N 3.17Å; V828-D841 PolarHBondContact N-OD1 3.11Å; V828-D841 CarbonylContact O-C 3.59Å; D841-P898 HydrophobicContact CB-CG 4.01Å; D841-P898 WeakPolarHBondContact OD2-CG 3.38Å; D841-H902 IonicContact OD1-ND1 2.78Å; D841-H902 PolarHBondContact OD1-ND1 2.94Å; D841-H902 WeakPolarHBondContact OD2-CB 3.35Å; D841-H902 IonicContact OD2-CE1 3.18Å; D841-H902 IonicContact OD2-CG 3.99Å; D841-H902 IonicContact OD2-ND1 2.72Å; D841-H902 PolarHBondContact OD2-ND1 2.84Å
842T87.1Confident77.9Confident11 Ų1161.2 Ų61.27%0.06732%0.321CS..PPolyproline II helixtrans-97.2129.2-179.2-49.20000110.4V828 R830 L847V828-T842 WeakPolarHBondContact O-CB 3.49Å; V828-T842 PolarHBondContact O-N 2.88Å; V828-T842 PolarHBondContact O-OG1 2.91Å; R830-T842 HydrophobicContact CG-CG2 4.08Å; T842-L847 HydrophobicContact CG2-CG 4.2Å
843D80.7Confident75.7Confident50 Ų5067.4 Ų67.427%0.26735%0.35SS..PPolyproline II helixtrans-59.8127176.3-176-10.8000111.6M845 Q846 L847 P898D843-M845 PolarHBondContact O-N 2.75Å; D843-M845 PolarHBondContact OD1-N 2.92Å; D843-Q846 HydrophobicContact CB-CB 4.34Å; D843-Q846 HydrophobicContact CB-CG 4.07Å; D843-Q846 WeakPolarHBondContact O-CB 3.45Å; D843-Q846 PolarHBondContact O-N 3.43Å; D843-L847 PolarHBondContact O-N 3.3Å; D843-L847 VanDerWaalsContact O-N 3.15Å; D843-P898 HydrophobicContact CB-CB 3.82Å; D843-P898 HydrophobicContact CB-CG 4.47Å
844P73Confident73.7Confident62 Ų6271.1 Ų71.140%0.40337%0.37SS..Hα-helixtrans-50.1-35.9170.8-27.434.7000114.5Q846 L847 S848 V899P844-Q846 VanDerWaalsContact C-N 3.35Å; P844-Q846 PolarHBondContact O-N 3.22Å; P844-L847 WeakPolarHBondContact O-CB 3.33Å; P844-L847 PolarHBondContact O-N 3.43Å; P844-L847 VanDerWaalsContact O-N 3.14Å; P844-S848 PolarHBondContact O-N 3.16Å; P844-V899 HydrophobicContact CG-CG2 3.63Å
845M68.4Low71.9Confident126 Ų12677.8 Ų77.862%0.62140%0.401SS*.Hα-helixtrans-64-42.7177-70.6-160.969.700111.3D843 L847 S848 L849D843-M845 PolarHBondContact O-N 2.75Å; D843-M845 PolarHBondContact OD1-N 2.92Å; M845-L847 PolarHBondContact O-N 3.15Å; M845-S848 PolarHBondContact O-N 2.88Å; M845-S848 PolarHBondContact O-OG 2.93Å; M845-L849 WeakPolarHBondContact O-CG 3.34Å; M845-L849 PolarHBondContact O-N 2.85Å
846Q66.1Low70Confident108 Ų10889.1 Ų89.151%0.50544%0.443SS..Hα-helixtrans-62.9-33.6175.1-67.9-176.9-10.800111.3R830 D843 P844 S848 L849 N850R830-Q846 PolarHBondContact NH2-O 2.73Å; D843-Q846 HydrophobicContact CB-CB 4.34Å; D843-Q846 HydrophobicContact CB-CG 4.07Å; D843-Q846 WeakPolarHBondContact O-CB 3.45Å; D843-Q846 PolarHBondContact O-N 3.43Å; P844-Q846 VanDerWaalsContact C-N 3.35Å; P844-Q846 PolarHBondContact O-N 3.22Å; Q846-S848 PolarHBondContact O-N 3.39Å; Q846-L849 PolarHBondContact O-N 2.82Å; Q846-N850 PolarHBondContact O-N 2.85Å
847L66.7Low68.2Low54 Ų5487.6 Ų87.628%0.28344%0.44SS..Hα-helixtrans-63-33.7179.8-79.2155.8000111.2M814 V828 R830 T842 D843 P844 M845M814-L847 HydrophobicContact SD-CD2 4.3Å; V828-L847 HydrophobicContact CB-CD1 4.44Å; V828-L847 HydrophobicContact CG1-CD1 4.11Å; V828-L847 HydrophobicContact CG1-CD2 4.5Å; R830-L847 HydrophobicContact CG-CD2 4.22Å; T842-L847 HydrophobicContact CG2-CG 4.2Å; D843-L847 PolarHBondContact O-N 3.3Å; D843-L847 VanDerWaalsContact O-N 3.15Å; P844-L847 WeakPolarHBondContact O-CB 3.33Å; P844-L847 PolarHBondContact O-N 3.43Å; P844-L847 VanDerWaalsContact O-N 3.14Å; M845-L847 PolarHBondContact O-N 3.15Å
848S63.7Low67Low88 Ų8890.9 Ų90.962%0.61546%0.46SS*.Hα-helixtrans-79.3-30.1177.469.20000114.8P844 M845 Q846P844-S848 PolarHBondContact O-N 3.16Å; M845-S848 PolarHBondContact O-N 2.88Å; M845-S848 PolarHBondContact O-OG 2.93Å; Q846-S848 PolarHBondContact O-N 3.39Å
849L61.2Low66Low121 Ų12190.5 Ų90.563%0.63446%0.457SS*.Hα-helixtrans-80.6-35.4-171.8-73.8162.7000113.6M845 Q846 P851M845-L849 WeakPolarHBondContact O-CG 3.34Å; M845-L849 PolarHBondContact O-N 2.85Å; Q846-L849 PolarHBondContact O-N 2.82Å; L849-P851 VanDerWaalsContact C-CD 3.41Å; L849-P851 WeakPolarHBondContact O-CD 3.43Å
850N57Low65.4Low76 Ų7693.8 Ų93.841%0.40648%0.48SS..  trans-121.869.7-176.1-7310.2000112.6Q846 Q852 E853Q846-N850 PolarHBondContact O-N 2.85Å; N850-Q852 VanDerWaalsContact C-N 3.32Å; N850-E853 PolarHBondContact ND2-OE2 3.29Å
851P54.1Low65.3Low84 Ų8488.7 Ų88.755%0.54546%0.458SS..SBendtrans-76.3-18.2171.729.2-32.7000113.1L849L849-P851 VanDerWaalsContact C-CD 3.41Å; L849-P851 WeakPolarHBondContact O-CD 3.43Å
852Q48.1Very low65.2Low190 Ų19091.8 Ų91.889%0.88847%0.472SS*.THydrogen-bonded Turntrans-85.7-12.1-174.1-74.4-174.9-18.100114.7N850 D854N850-Q852 VanDerWaalsContact C-N 3.32Å; Q852-D854 PolarHBondContact O-N 2.85Å
853E47.2Very low65.5Low130 Ų13091.6 Ų91.661%0.60747%0.47SS*.THydrogen-bonded Turntrans-87.814.4174.2-71.8-177152.300112.9N850 E855N850-E853 PolarHBondContact ND2-OE2 3.29Å; E853-E855 PolarHBondContact O-N 2.83Å
854D48.5Very low66.2Low82 Ų8289.5 Ų89.544%0.43946%0.459SS..  trans-65.668.6157.4-75.5-9000107.8Q852 R856Q852-D854 PolarHBondContact O-N 2.85Å; D854-R856 PolarHBondContact O-N 2.88Å
855E51.5Low67.3Low141 Ų14188.1 Ų88.166%0.65945%0.448SS*.  trans-48.1115.8155.7-75.7-163.2159.900104.5E853 T857E853-E855 PolarHBondContact O-N 2.83Å; E855-T857 PolarHBondContact O-N 2.71Å
856R48.9Very low68.7Low238 Ų23882.3 Ų82.390%0.89842%0.42SS*.  trans-5598.6168.6-79.3-176.5176.4-179.1-1.1105.6D854 D858D854-R856 PolarHBondContact O-N 2.88Å; R856-D858 PolarHBondContact O-N 3.33Å; R856-D858 VanDerWaalsContact O-N 3.14Å
857T54.4Low70.1Confident38 Ų3877.7 Ų77.723%0.23340%0.399CS..  trans-66.8118.7175.1450000104.6E855 V859E855-T857 PolarHBondContact O-N 2.71Å; T857-V859 PolarHBondContact O-N 3.31Å
858D64.4Low71.3Confident152 Ų15275.6 Ų75.681%0.81339%0.391SS*.SBendtrans-62.918.9171.9-73.2-34.1000112.4R856R856-D858 PolarHBondContact O-N 3.33Å; R856-D858 VanDerWaalsContact O-N 3.14Å
859V69.6Low72.6Confident21 Ų2171.5 Ų71.513%0.12736%0.362CS..  trans-128.7109.2-163.8-172.30000107.7P833 T857 I882P833-V859 HydrophobicContact CB-CB 3.94Å; P833-V859 HydrophobicContact CB-CG1 3.69Å; P833-V859 WeakPolarHBondContact CB-O 3.47Å; T857-V859 PolarHBondContact O-N 3.31Å; V859-I882 HydrophobicContact CG1-CG2 3.18Å
860S79.4Confident73.8Confident71 Ų7166.7 Ų66.750%0.49734%0.341SS..  trans-100.2141.4176.159.70000111.1Q862S860-Q862 PolarHBondContact O-N 3.21Å
861V89.6Confident74.8Confident7 Ų764.4 Ų64.44%0.04233%0.331CS..EExtended strand (participates in β ladder)trans-71.4121.7169.7-174.40000107.8V671 A672 C809 F832 P833 V864 I882V671-V861 WeakPolarHBondContact CG1-O 3.41Å; A672-V861 HydrophobicContact CB-CG1 4.22Å; C809-V861 HydrophobicContact CB-CB 4.27Å; C809-V861 HydrophobicContact CB-CG1 4.19Å; C809-V861 HydrophobicContact CB-CG2 4.22Å; F832-V861 HydrophobicContact CD1-CG2 3.98Å; F832-V861 HydrophobicContact CE1-CG2 4.36Å; P833-V861 HydrophobicContact CG-CG2 3.88Å; V861-V864 HydrophobicContact CG1-CG2 3.45Å; V861-V864 VanDerWaalsContact CG1-CG2 3.45Å; V861-I882 HydrophobicContact CG2-CD1 4.32Å
862Q90.1Very high75.9Confident78 Ų7862.8 Ų62.836%0.36432%0.317SS..EExtended strand (participates in β ladder)trans-89-38.3179.8-62.9175.9-12.800111.2S860 I881S860-Q862 PolarHBondContact O-N 3.21Å; Q862-I881 WeakPolarHBondContact CB-O 3.37Å; Q862-I881 PolarHBondContact N-O 2.67Å
863E92.8Very high77.7Confident7 Ų757.4 Ų57.43%0.03329%0.291CS..EExtended strand (participates in β ladder)trans-155.4144.6-176.4-170.5175-174.900110.3A880 I881 K927 R928 L929E863-A880 CarbonylContact O-C 3.58Å; E863-A880 VanDerWaalsContact O-CA 3.26Å; E863-A880 WeakPolarHBondContact O-CA 3.48Å; E863-I881 HydrophobicContact CB-CB 4.41Å; E863-I881 PolarHBondContact N-O 3.04Å; E863-I881 PolarHBondContact O-N 2.9Å; E863-K927 VanDerWaalsContact CD-CD 3.49Å; E863-K927 HydrophobicContact CG-CD 3.76Å; E863-K927 WeakPolarHBondContact OE1-CB 3.37Å; E863-K927 WeakPolarHBondContact OE1-CD 3.26Å; E863-R928 PolarHBondContact OE1-N 3.22Å; E863-R928 PolarHBondContact OE2-N 3.49Å; E863-L929 HydrophobicContact CB-CD1 4.49Å; E863-L929 HydrophobicContact CG-CD1 4Å; E863-L929 HydrophobicContact CG-CG 4.25Å; E863-L929 WeakPolarHBondContact OE1-CB 3.46Å; E863-L929 PolarHBondContact OE1-N 3.15Å; E863-L929 PolarHBondContact OE2-N 3.35Å
864V95.2Very high79.5Confident5 Ų551.9 Ų51.93%0.0327%0.268CS..EExtended strand (participates in β ladder)trans-135.9138169.9177.50000109.2A672 C809 F832 V861 V866 I878 F879 A880A672-V864 HydrophobicContact CB-CB 4.39Å; A672-V864 HydrophobicContact CB-CG2 4.24Å; C809-V864 VanDerWaalsContact SG-CG2 3.58Å; F832-V864 HydrophobicContact CE1-CG2 4.25Å; V861-V864 HydrophobicContact CG1-CG2 3.45Å; V861-V864 VanDerWaalsContact CG1-CG2 3.45Å; V864-V866 HydrophobicContact CG1-CG2 4.18Å; V864-I878 HydrophobicContact CG1-CG2 3.96Å; V864-F879 CarbonylContact C-O 3.52Å; V864-F879 WeakPolarHBondContact CA-O 3.36Å; V864-A880 HydrophobicContact CG2-CB 4Å
865L96.5Very high81.4Confident33 Ų3348.9 Ų48.917%0.17325%0.25CS..EExtended strand (participates in β ladder)trans-138.6127.4175.3177.962.9000108.9V867 F879 L929 I941L865-V867 HydrophobicContact CD1-CG1 4.14Å; L865-V867 HydrophobicContact CD2-CG1 4.29Å; L865-V867 HydrophobicContact CG-CG1 3.94Å; L865-F879 PolarHBondContact N-O 3.4Å; L865-F879 PolarHBondContact O-N 3.2Å; L865-L929 HydrophobicContact CB-CB 4.14Å; L865-L929 HydrophobicContact CB-CD1 3.93Å; L865-L929 HydrophobicContact CD2-CB 3.78Å; L865-I941 HydrophobicContact CD2-CD1 3.76Å; L865-I941 HydrophobicContact CD2-CG1 3.94Å; L865-I941 HydrophobicContact CD2-CG2 4.45Å; L865-I941 HydrophobicContact CG-CD1 4.35Å
866V97.1Very high83.5Confident5 Ų542.1 Ų42.13%0.0322%0.219CC..EExtended strand (participates in β ladder)trans-116.5123.8179.1-172.90000109.8S674 Y676 F807 V864 H877 I878S674-V866 PolarHBondContact OG-N 3.16Å; Y676-V866 HydrophobicContact CD1-CG1 4.28Å; Y676-V866 HydrophobicContact CD2-CG1 3.88Å; Y676-V866 HydrophobicContact CG-CB 4.45Å; Y676-V866 HydrophobicContact CG-CG1 3.68Å; F807-V866 HydrophobicContact CB-CG2 4.16Å; F807-V866 HydrophobicContact CD1-CG2 3.79Å; F807-V866 HydrophobicContact CD2-CB 4.34Å; F807-V866 HydrophobicContact CD2-CG1 4.37Å; F807-V866 HydrophobicContact CD2-CG2 3.97Å; F807-V866 HydrophobicContact CE1-CG1 4.44Å; F807-V866 HydrophobicContact CE1-CG2 4.12Å; F807-V866 HydrophobicContact CE2-CB 4.43Å; F807-V866 HydrophobicContact CE2-CG1 3.95Å; F807-V866 HydrophobicContact CE2-CG2 4.3Å; F807-V866 HydrophobicContact CG-CG2 3.71Å; F807-V866 HydrophobicContact CZ-CG1 3.99Å; F807-V866 HydrophobicContact CZ-CG2 4.36Å; V864-V866 HydrophobicContact CG1-CG2 4.18Å; V866-H877 VanDerWaalsContact CA-O 3.29Å; V866-H877 WeakPolarHBondContact CA-O 3.26Å; V866-I878 HydrophobicContact CG1-CG1 4.36Å; V866-I878 HydrophobicContact CG2-CB 4.43Å; V866-I878 HydrophobicContact CG2-CG1 4.07Å; V866-I878 HydrophobicContact CG2-CG2 4.22Å
867V95.2Very high85.8Confident11 Ų1130.9 Ų30.97%0.06718%0.176CC..EExtended strand (participates in β ladder)trans-138.7152.1-171.8-67.80000111.8L865 L869 P876 H877 F879 Y931 I941L865-V867 HydrophobicContact CD1-CG1 4.14Å; L865-V867 HydrophobicContact CD2-CG1 4.29Å; L865-V867 HydrophobicContact CG-CG1 3.94Å; V867-L869 HydrophobicContact CG2-CD1 4.19Å; V867-L869 HydrophobicContact CG2-CD2 4.15Å; V867-L869 HydrophobicContact CG2-CG 3.92Å; V867-P876 CarbonylContact O-C 3.49Å; V867-P876 WeakPolarHBondContact O-CA 3.16Å; V867-H877 HydrophobicContact CG2-CB 4.48Å; V867-H877 PolarHBondContact N-O 3.4Å; V867-H877 PolarHBondContact O-N 2.72Å; V867-F879 HydrophobicContact CG2-CD2 4.28Å; V867-F879 HydrophobicContact CG2-CE2 4.2Å; V867-Y931 HydrophobicContact CB-CD2 3.95Å; V867-Y931 HydrophobicContact CB-CE2 4.24Å; V867-Y931 HydrophobicContact CG1-CD2 3.53Å; V867-Y931 HydrophobicContact CG1-CE2 4.22Å; V867-Y931 HydrophobicContact CG1-CG 3.9Å; V867-I941 HydrophobicContact CG1-CD1 4.39Å; V867-I941 HydrophobicContact CG2-CD1 3.57Å; V867-I941 HydrophobicContact CG2-CG1 4.3Å
868G92.7Very high87.8Confident10 Ų1029 Ų2910%0.10317%0.165CC..EExtended strand (participates in β ladder)trans-96.2113.8173.400000108.5K873G868-K873 WeakPolarHBondContact O-CB 3.37Å
869L91.8Very high89.4Confident1 Ų121.8 Ų21.81%0.00513%0.126CC..EExtended strand (participates in β ladder)trans-110.5175.1179.1-62.2178.2000110.5V867 K873 A874 R875 H877 F879 Y931 M953 L959V867-L869 HydrophobicContact CG2-CD1 4.19Å; V867-L869 HydrophobicContact CG2-CD2 4.15Å; V867-L869 HydrophobicContact CG2-CG 3.92Å; L869-K873 CarbonylContact O-C 3.59Å; L869-K873 WeakPolarHBondContact O-CA 3.46Å; L869-A874 PolarHBondContact O-N 3.24Å; L869-R875 PolarHBondContact N-O 2.95Å; L869-R875 WeakPolarHBondContact O-CA 3.41Å; L869-R875 VanDerWaalsContact O-CB 3.31Å; L869-R875 WeakPolarHBondContact O-CB 3.48Å; L869-R875 PolarHBondContact O-N 2.98Å; L869-H877 HydrophobicContact CD1-CB 4.35Å; L869-F879 HydrophobicContact CD1-CE2 4.05Å; L869-F879 HydrophobicContact CD1-CZ 4.23Å; L869-Y931 HydrophobicContact CD2-CE2 4.25Å; L869-M953 HydrophobicContact CB-CB 4.18Å; L869-M953 HydrophobicContact CB-CE 3.59Å; L869-M953 HydrophobicContact CB-CG 4.23Å; L869-M953 HydrophobicContact CD1-CE 4.05Å; L869-M953 HydrophobicContact CG-CE 4.48Å; L869-L959 HydrophobicContact CD1-CD1 4.11Å
870G85.6Confident90.6Very high20 Ų2020.8 Ų20.821%0.20612%0.12CC..SBendtrans81.9-176.517700000113N872 K873G870-N872 PolarHBondContact O-N 3.05Å; G870-K873 PolarHBondContact O-N 3Å
871P78.5Confident91.2Very high28 Ų2817.4 Ų17.418%0.18210%0.097CC..G310 helixtrans-52.5131.4176.7-26.236.1000110.8N44 E68 K873 A874N44-P871 VanDerWaalsContact ND2-CB 3.31Å; N44-P871 WeakPolarHBondContact ND2-CB 3.38Å; E68-P871 HydrophobicContact CG-CG 4.19Å; P871-K873 PolarHBondContact O-N 3.13Å; P871-A874 WeakPolarHBondContact O-CB 3.15Å; P871-A874 PolarHBondContact O-N 3.38Å; P871-A874 VanDerWaalsContact O-N 3.16Å
872N76.6Confident91.2Very high50 Ų5017.4 Ų17.427%0.26710%0.096SC..G310 helixtrans56.518.8-178.8-55.6-39.3000115Y46 P797 G870 A874Y46-N872 PolarHBondContact O-ND2 3.37Å; P797-N872 HydrophobicContact CB-CB 4.45Å; G870-N872 PolarHBondContact O-N 3.05Å; N872-A874 PolarHBondContact O-N 3.15Å
873K86.2Confident90.7Very high78 Ų7816 Ų1634%0.3399%0.091SC..G310 helixtrans57.627.9-175.4-56.4178.7179.8175.50113.1M679 G868 L869 G870 P871 R875 Y931 D933M679-K873 HydrophobicContact CB-CB 4.38Å; G868-K873 WeakPolarHBondContact O-CB 3.37Å; L869-K873 CarbonylContact O-C 3.59Å; L869-K873 WeakPolarHBondContact O-CA 3.46Å; G870-K873 PolarHBondContact O-N 3Å; P871-K873 PolarHBondContact O-N 3.13Å; K873-R875 VanDerWaalsContact C-N 3.29Å; K873-R875 PolarHBondContact O-N 3.19Å; K873-Y931 WeakPolarHBondContact CE-OH 3.44Å; K873-D933 WeakPolarHBondContact CE-OD2 3.09Å; K873-D933 IonicContact NZ-OD2 3.58Å; K873-D933 PolarHBondContact NZ-OD2 3.01Å
874A84.7Confident90.1Very high14 Ų1417.5 Ų17.512%0.11610%0.099CC..  trans-82.72.2-172.200000114.3S680 L869 P871 N872 P876S680-A874 WeakPolarHBondContact CB-O 3.29Å; L869-A874 PolarHBondContact O-N 3.24Å; P871-A874 WeakPolarHBondContact O-CB 3.15Å; P871-A874 PolarHBondContact O-N 3.38Å; P871-A874 VanDerWaalsContact O-N 3.16Å; N872-A874 PolarHBondContact O-N 3.15Å; A874-P876 WeakPolarHBondContact O-CD 3.46Å
875R89.6Confident89.7Confident18 Ų1818.5 Ų18.57%0.06810%0.104CC..EExtended strand (participates in β ladder)trans-115.997.3179.5-62.9-177.762.5-153.414.4111.2L869 K873 H877 E890 G957L869-R875 PolarHBondContact N-O 2.95Å; L869-R875 WeakPolarHBondContact O-CA 3.41Å; L869-R875 VanDerWaalsContact O-CB 3.31Å; L869-R875 WeakPolarHBondContact O-CB 3.48Å; L869-R875 PolarHBondContact O-N 2.98Å; K873-R875 VanDerWaalsContact C-N 3.29Å; K873-R875 PolarHBondContact O-N 3.19Å; R875-H877 PolarHBondContact O-N 3.05Å; R875-H877 PolarHBondContact O-ND1 2.98Å; R875-E890 IonicContact CZ-OE1 3.82Å; R875-E890 IonicContact CZ-OE2 3.2Å; R875-E890 IonicContact NE-OE1 3.67Å; R875-E890 PolarHBondContact NE-OE1 3.02Å; R875-E890 IonicContact NH2-OE1 3.1Å; R875-E890 PolarHBondContact NH2-OE1 2.98Å; R875-E890 IonicContact NH2-OE2 3.54Å; R875-E890 PolarHBondContact NH2-OE2 3.15Å; R875-G957 PolarHBondContact NH1-O 3.09Å
876P94.5Very high89.5Confident0 Ų017.3 Ų17.30%010%0.097CC..EExtended strand (participates in β ladder)trans-67.8130.8178.6-1225000111.2Y676 M682 F683 V867 A874 A891Y676-P876 HydrophobicContact CE1-CB 3.9Å; Y676-P876 HydrophobicContact CE1-CG 4.2Å; Y676-P876 WeakPolarHBondContact OH-CG 3.31Å; M682-P876 HydrophobicContact SD-CG 4.32Å; F683-P876 HydrophobicContact CD2-CG 4.48Å; F683-P876 HydrophobicContact CE2-CB 3.85Å; F683-P876 HydrophobicContact CE2-CG 3.7Å; F683-P876 HydrophobicContact CZ-CB 4.33Å; V867-P876 CarbonylContact O-C 3.49Å; V867-P876 WeakPolarHBondContact O-CA 3.16Å; A874-P876 WeakPolarHBondContact O-CD 3.46Å; P876-A891 HydrophobicContact CB-CB 3.79Å; P876-A891 HydrophobicContact CG-CB 3.9Å; P876-A891 PolarHBondContact O-N 3.35Å
877H96.6Very high89.3Confident1 Ų117.2 Ų17.21%0.00510%0.097CC..EExtended strand (participates in β ladder)trans-128.2139.9177.1-70.569.5000111.6V866 V867 L869 R875 F879 Y889 M953V866-H877 VanDerWaalsContact CA-O 3.29Å; V866-H877 WeakPolarHBondContact CA-O 3.26Å; V867-H877 HydrophobicContact CG2-CB 4.48Å; V867-H877 PolarHBondContact N-O 3.4Å; V867-H877 PolarHBondContact O-N 2.72Å; L869-H877 HydrophobicContact CD1-CB 4.35Å; R875-H877 PolarHBondContact O-N 3.05Å; R875-H877 PolarHBondContact O-ND1 2.98Å; H877-F879 HydrophobicContact CB-CD2 4.05Å; H877-F879 HydrophobicContact CB-CE2 3.57Å; H877-Y889 CarbonylContact C-O 3.53Å; H877-Y889 WeakPolarHBondContact CA-O 3.37Å; H877-M953 VanDerWaalsContact CE1-CE 3.49Å; H877-M953 WeakPolarHBondContact CE1-CE 3.42Å
878I97.2Very high89.3Confident0 Ų016.7 Ų16.70%09%0.094CC..EExtended strand (participates in β ladder)trans-103.7121.3169.6-51.9174.6000107.9F807 L815 F832 V864 V866 I888 Y889 F907F807-I878 HydrophobicContact CD1-CD1 4.35Å; F807-I878 HydrophobicContact CE1-CD1 3.84Å; F807-I878 HydrophobicContact CE1-CG1 4.23Å; L815-I878 HydrophobicContact CD2-CD1 4.34Å; F832-I878 HydrophobicContact CZ-CG2 4.34Å; V864-I878 HydrophobicContact CG1-CG2 3.96Å; V866-I878 HydrophobicContact CG1-CG1 4.36Å; V866-I878 HydrophobicContact CG2-CB 4.43Å; V866-I878 HydrophobicContact CG2-CG1 4.07Å; V866-I878 HydrophobicContact CG2-CG2 4.22Å; I878-I888 CarbonylContact O-C 2.95Å; I878-I888 VanDerWaalsContact O-CA 3.31Å; I878-I888 WeakPolarHBondContact O-CA 3.49Å; I878-Y889 PolarHBondContact N-O 2.8Å; I878-Y889 PolarHBondContact O-N 2.83Å; I878-F907 HydrophobicContact CD1-CD1 3.61Å; I878-F907 HydrophobicContact CD1-CD2 4.37Å; I878-F907 HydrophobicContact CD1-CE1 3.52Å; I878-F907 HydrophobicContact CD1-CE2 4.29Å; I878-F907 HydrophobicContact CD1-CG 4.04Å; I878-F907 HydrophobicContact CD1-CZ 3.89Å; I878-F907 HydrophobicContact CG1-CD1 4.06Å; I878-F907 HydrophobicContact CG1-CE1 3.89Å
879F97.2Very high89.5Confident0 Ų016.2 Ų16.20%09%0.089CC..EExtended strand (participates in β ladder)trans-106.1126.9168.5-72.3-110.6000108.1V864 L865 V867 L869 H877 L886 L887 I888 L929 I941 A951 L959V864-F879 CarbonylContact C-O 3.52Å; V864-F879 WeakPolarHBondContact CA-O 3.36Å; L865-F879 PolarHBondContact N-O 3.4Å; L865-F879 PolarHBondContact O-N 3.2Å; V867-F879 HydrophobicContact CG2-CD2 4.28Å; V867-F879 HydrophobicContact CG2-CE2 4.2Å; L869-F879 HydrophobicContact CD1-CE2 4.05Å; L869-F879 HydrophobicContact CD1-CZ 4.23Å; H877-F879 HydrophobicContact CB-CD2 4.05Å; H877-F879 HydrophobicContact CB-CE2 3.57Å; F879-L886 HydrophobicContact CD1-CD1 4.37Å; F879-L887 WeakPolarHBondContact CA-O 3.3Å; F879-I888 HydrophobicContact CD1-CD1 4.08Å; F879-I888 HydrophobicContact CD1-CG1 3.8Å; F879-I888 HydrophobicContact CD1-CG2 4.36Å; F879-I888 HydrophobicContact CD2-CG2 4.4Å; F879-I888 HydrophobicContact CE1-CD1 3.61Å; F879-I888 HydrophobicContact CE1-CG1 3.8Å; F879-I888 HydrophobicContact CE1-CG2 4.03Å; F879-I888 HydrophobicContact CE2-CG2 4.05Å; F879-I888 HydrophobicContact CZ-CD1 4.32Å; F879-I888 HydrophobicContact CZ-CG2 3.86Å; F879-L929 HydrophobicContact CB-CD1 3.85Å; F879-I941 HydrophobicContact CB-CD1 3.99Å; F879-I941 HydrophobicContact CD1-CD1 3.75Å; F879-I941 HydrophobicContact CD2-CD1 3.15Å; F879-I941 HydrophobicContact CE1-CB 4.36Å; F879-I941 HydrophobicContact CE1-CD1 3.95Å; F879-I941 HydrophobicContact CE2-CD1 3.39Å; F879-I941 HydrophobicContact CG-CD1 3.35Å; F879-I941 HydrophobicContact CZ-CD1 3.77Å; F879-A951 HydrophobicContact CE1-CB 3.95Å; F879-A951 HydrophobicContact CZ-CB 4.42Å; F879-L959 HydrophobicContact CE1-CD2 4.32Å; F879-L959 HydrophobicContact CZ-CD1 4.3Å; F879-L959 HydrophobicContact CZ-CD2 3.75Å
880A94.9Very high89.7Confident0 Ų016.8 Ų16.80%09%0.092CC..EExtended strand (participates in β ladder)trans-133.3140.3178.700000110.5F832 E863 V864 I882 L887F832-A880 HydrophobicContact CE1-CB 3.94Å; F832-A880 HydrophobicContact CZ-CB 3.81Å; E863-A880 CarbonylContact O-C 3.58Å; E863-A880 VanDerWaalsContact O-CA 3.26Å; E863-A880 WeakPolarHBondContact O-CA 3.48Å; V864-A880 HydrophobicContact CG2-CB 4Å; A880-I882 HydrophobicContact CB-CD1 4.38Å; A880-I882 HydrophobicContact CB-CG1 4.25Å; A880-L887 HydrophobicContact CB-CB 4.44Å; A880-L887 PolarHBondContact N-O 3.25Å; A880-L887 PolarHBondContact O-N 2.88Å
881I92.5Very high90.1Very high0 Ų015.9 Ų15.90%08%0.082CC..EExtended strand (participates in β ladder)trans-108.5121.6169.7-56.7175.7000109Q862 E863 H885 L886 R928 L929Q862-I881 WeakPolarHBondContact CB-O 3.37Å; Q862-I881 PolarHBondContact N-O 2.67Å; E863-I881 HydrophobicContact CB-CB 4.41Å; E863-I881 PolarHBondContact N-O 3.04Å; E863-I881 PolarHBondContact O-N 2.9Å; I881-H885 WeakPolarHBondContact CA-O 3.45Å; I881-L886 HydrophobicContact CG1-CD1 4.21Å; I881-R928 HydrophobicContact CD1-CB 3.67Å; I881-R928 VanDerWaalsContact CG2-NH2 3.26Å; I881-L929 HydrophobicContact CD1-CD1 4.41Å; I881-L929 HydrophobicContact CD1-CD2 3.8Å; I881-L929 HydrophobicContact CD1-CG 3.85Å; I881-L929 HydrophobicContact CG1-CD1 4.19Å; I881-L929 HydrophobicContact CG1-CD2 4.06Å; I881-L929 HydrophobicContact CG1-CG 4.15Å
882I89Confident90.7Very high6 Ų614.6 Ų14.63%0.0317%0.073CC..EExtended strand (participates in β ladder)trans-132.6113.7-174.3-50.9-166.6000107.6F832 P833 V859 V861 A880 D884 H885 L887F832-I882 HydrophobicContact CD1-CD1 4.24Å; F832-I882 HydrophobicContact CE1-CD1 4.01Å; P833-I882 HydrophobicContact CB-CG2 4.15Å; V859-I882 HydrophobicContact CG1-CG2 3.18Å; V861-I882 HydrophobicContact CG2-CD1 4.32Å; A880-I882 HydrophobicContact CB-CD1 4.38Å; A880-I882 HydrophobicContact CB-CG1 4.25Å; I882-D884 VanDerWaalsContact C-N 3.33Å; I882-D884 PolarHBondContact O-N 2.86Å; I882-H885 PolarHBondContact N-O 3.06Å; I882-H885 VanDerWaalsContact O-CB 3.27Å; I882-H885 WeakPolarHBondContact O-CB 3.47Å; I882-H885 PolarHBondContact O-CD2 2.81Å; I882-H885 PolarHBondContact O-N 2.9Å; I882-L887 HydrophobicContact CD1-CD1 3.52Å; I882-L887 HydrophobicContact CD1-CG 4.46Å; I882-L887 HydrophobicContact CG1-CD1 4.15Å
883N80.5Confident91.2Very high49 Ų4913.4 Ų13.426%0.2627%0.068SC..THydrogen-bonded Turntrans48.148.6-174.3-71.1-4.7000113.9H885N883-H885 PolarHBondContact O-CD2 2.95Å; N883-H885 PolarHBondContact O-N 2.82Å
884D80.4Confident91.1Very high38 Ų3810.3 Ų10.320%0.2036%0.056CC..THydrogen-bonded Turntrans61.518.4-175.3-62.9-47.4000115.7I882 K917 R928I882-D884 VanDerWaalsContact C-N 3.33Å; I882-D884 PolarHBondContact O-N 2.86Å; D884-K917 HydrophobicContact CB-CB 4.14Å; D884-K917 HydrophobicContact CB-CG 4.29Å; D884-R928 IonicContact OD1-CZ 3.91Å; D884-R928 VanDerWaalsContact OD1-CZ 3.24Å; D884-R928 IonicContact OD1-NH1 2.74Å; D884-R928 PolarHBondContact OD1-NH1 2.87Å; D884-R928 IonicContact OD1-NH2 3.11Å; D884-R928 PolarHBondContact OD1-NH2 2.77Å
885H86.4Confident90.6Very high27 Ų2713.5 Ų13.513%0.1257%0.071CC..EExtended strand (participates in β ladder)trans-108.2135.6171.9-58-66000111.1I881 I882 N883 F1428I881-H885 WeakPolarHBondContact CA-O 3.45Å; I882-H885 PolarHBondContact N-O 3.06Å; I882-H885 VanDerWaalsContact O-CB 3.27Å; I882-H885 WeakPolarHBondContact O-CB 3.47Å; I882-H885 PolarHBondContact O-CD2 2.81Å; I882-H885 PolarHBondContact O-N 2.9Å; N883-H885 PolarHBondContact O-CD2 2.95Å; N883-H885 PolarHBondContact O-N 2.82Å; H885-F1428 AromaticContact CE1-CD2 3.62Å; H885-F1428 AromaticContact CE1-CE1 3.85Å; H885-F1428 AromaticContact CE1-CE2 3.3Å; H885-F1428 WeakPolarHBondContact CE1-CE2 3.32Å; H885-F1428 AromaticContact CE1-CZ 3.44Å; H885-F1428 VanDerWaalsContact CE1-CZ 3.44Å; H885-F1428 WeakPolarHBondContact CE1-CZ 3.38Å; H885-F1428 AromaticContact ND1-CE2 3.28Å; H885-F1428 VanDerWaalsContact ND1-CE2 3.28Å; H885-F1428 WeakPolarHBondContact ND1-CE2 3.48Å; H885-F1428 AromaticContact ND1-CZ 3.31Å; H885-F1428 VanDerWaalsContact ND1-CZ 3.31Å; H885-F1428 WeakPolarHBondContact ND1-CZ 3.22Å
886L92.4Very high89.8Confident7 Ų717.9 Ų17.94%0.03710%0.096CC..EExtended strand (participates in β ladder)trans-86.6120.6175-172.366.6000110.5F879 I881 I888 N912 T914 I916 L929 I943 I961F879-L886 HydrophobicContact CD1-CD1 4.37Å; I881-L886 HydrophobicContact CG1-CD1 4.21Å; L886-I888 HydrophobicContact CD2-CD1 3.88Å; L886-I888 HydrophobicContact CD2-CG1 4.14Å; L886-I888 HydrophobicContact CG-CD1 4.29Å; L886-I888 HydrophobicContact CG-CG1 3.98Å; L886-N912 PolarHBondContact O-ND2 3.23Å; L886-T914 WeakPolarHBondContact CB-OG1 3.5Å; L886-T914 HydrophobicContact CD2-CG2 4.26Å; L886-I916 HydrophobicContact CB-CD1 3.76Å; L886-I916 HydrophobicContact CD1-CD1 4.42Å; L886-I916 HydrophobicContact CG-CD1 4.47Å; L886-L929 HydrophobicContact CD1-CD2 4.04Å; L886-I943 HydrophobicContact CD2-CD1 3.58Å; L886-I961 HydrophobicContact CD2-CD1 4.43Å
887L93.5Very high88.8Confident4 Ų419.4 Ų19.42%0.02111%0.111CC..EExtended strand (participates in β ladder)trans-107.3135.8166.8-58.9-176.8000109F879 A880 I882 Y889F879-L887 WeakPolarHBondContact CA-O 3.3Å; A880-L887 HydrophobicContact CB-CB 4.44Å; A880-L887 PolarHBondContact N-O 3.25Å; A880-L887 PolarHBondContact O-N 2.88Å; I882-L887 HydrophobicContact CD1-CD1 3.52Å; I882-L887 HydrophobicContact CD1-CG 4.46Å; I882-L887 HydrophobicContact CG1-CD1 4.15Å; L887-Y889 HydrophobicContact CB-CD2 4.49Å; L887-Y889 HydrophobicContact CB-CE2 3.93Å; L887-Y889 HydrophobicContact CD1-CE2 4.31Å
888I95.7Very high88Confident0 Ų022.2 Ų22.20%013%0.13CC..EExtended strand (participates in β ladder)trans-128.1129.4177.3-51.7175.4000106.8I878 F879 L886 R909 I910 N912 L959 I961I878-I888 CarbonylContact O-C 2.95Å; I878-I888 VanDerWaalsContact O-CA 3.31Å; I878-I888 WeakPolarHBondContact O-CA 3.49Å; F879-I888 HydrophobicContact CD1-CD1 4.08Å; F879-I888 HydrophobicContact CD1-CG1 3.8Å; F879-I888 HydrophobicContact CD1-CG2 4.36Å; F879-I888 HydrophobicContact CD2-CG2 4.4Å; F879-I888 HydrophobicContact CE1-CD1 3.61Å; F879-I888 HydrophobicContact CE1-CG1 3.8Å; F879-I888 HydrophobicContact CE1-CG2 4.03Å; F879-I888 HydrophobicContact CE2-CG2 4.05Å; F879-I888 HydrophobicContact CZ-CD1 4.32Å; F879-I888 HydrophobicContact CZ-CG2 3.86Å; L886-I888 HydrophobicContact CD2-CD1 3.88Å; L886-I888 HydrophobicContact CD2-CG1 4.14Å; L886-I888 HydrophobicContact CG-CD1 4.29Å; L886-I888 HydrophobicContact CG-CG1 3.98Å; I888-R909 WeakPolarHBondContact O-CA 3.12Å; I888-I910 HydrophobicContact CB-CB 4.21Å; I888-I910 HydrophobicContact CG2-CB 4.16Å; I888-I910 HydrophobicContact CG2-CD1 3.98Å; I888-I910 HydrophobicContact CG2-CG1 4.4Å; I888-I910 PolarHBondContact O-N 3.22Å; I888-N912 HydrophobicContact CD1-CB 4.5Å; I888-L959 HydrophobicContact CD1-CD2 4.02Å; I888-L959 HydrophobicContact CG2-CD2 3.82Å; I888-I961 HydrophobicContact CD1-CD1 3.62Å
889Y96.1Very high87.2Confident0 Ų024 Ų240%014%0.14CC..EExtended strand (participates in β ladder)trans-125.2146.6174.1-67.1-91.3000110.6F832 G835 F836 L839 H877 I878 L887 F907 K908 R909F832-Y889 HydrophobicContact CE2-CD2 4.4Å; F832-Y889 HydrophobicContact CE2-CE2 4.08Å; G835-Y889 VanDerWaalsContact CA-OH 3.27Å; G835-Y889 WeakPolarHBondContact CA-OH 3.33Å; F836-Y889 PolarHBondContact N-OH 3.38Å; F836-Y889 WeakPolarHBondContact O-CE1 3.49Å; F836-Y889 PolarHBondContact O-OH 3.39Å; L839-Y889 HydrophobicContact CD1-CD1 3.77Å; L839-Y889 HydrophobicContact CD1-CD2 4.1Å; L839-Y889 HydrophobicContact CD1-CE1 3.78Å; L839-Y889 HydrophobicContact CD1-CE2 4.09Å; L839-Y889 HydrophobicContact CD1-CG 3.95Å; L839-Y889 HydrophobicContact CD2-CE1 3.8Å; L839-Y889 HydrophobicContact CG-CD1 3.8Å; L839-Y889 HydrophobicContact CG-CE1 3.54Å; L839-Y889 HydrophobicContact CG-CG 4.48Å; H877-Y889 CarbonylContact C-O 3.53Å; H877-Y889 WeakPolarHBondContact CA-O 3.37Å; I878-Y889 PolarHBondContact N-O 2.8Å; I878-Y889 PolarHBondContact O-N 2.83Å; L887-Y889 HydrophobicContact CB-CD2 4.49Å; L887-Y889 HydrophobicContact CB-CE2 3.93Å; L887-Y889 HydrophobicContact CD1-CE2 4.31Å; Y889-F907 HydrophobicContact CD1-CB 4.2Å; Y889-F907 HydrophobicContact CG-CB 4.46Å; Y889-K908 CarbonylContact C-O 3.58Å; Y889-K908 VanDerWaalsContact CA-O 3.22Å; Y889-K908 WeakPolarHBondContact CA-O 3.42Å; Y889-R909 HydrophobicContact CD1-CB 3.99Å; Y889-R909 HydrophobicContact CE1-CB 3.64Å; Y889-R909 HydrophobicContact CE1-CG 4.09Å
890E94.9Very high86.4Confident13 Ų1326.8 Ų26.86%0.06116%0.164CC..EExtended strand (participates in β ladder)trans-116.4134.7173.1179.7-177.3177.100110.1R875 F907 K908 I910R875-E890 IonicContact CZ-OE1 3.82Å; R875-E890 IonicContact CZ-OE2 3.2Å; R875-E890 IonicContact NE-OE1 3.67Å; R875-E890 PolarHBondContact NE-OE1 3.02Å; R875-E890 IonicContact NH2-OE1 3.1Å; R875-E890 PolarHBondContact NH2-OE1 2.98Å; R875-E890 IonicContact NH2-OE2 3.54Å; R875-E890 PolarHBondContact NH2-OE2 3.15Å; E890-F907 CarbonylContact O-C 3.53Å; E890-F907 VanDerWaalsContact O-CA 3.24Å; E890-F907 WeakPolarHBondContact O-CA 3.39Å; E890-K908 PolarHBondContact N-O 2.83Å; E890-K908 PolarHBondContact O-N 2.88Å; E890-I910 HydrophobicContact CB-CD1 3.96Å; E890-I910 HydrophobicContact CB-CG1 4.19Å
891A93.9Very high85.8Confident0 Ų032.5 Ų32.50%019%0.194CC..EExtended strand (participates in β ladder)trans-74.5141.4174.800000111.8M682 P876 R906 F907M682-A891 HydrophobicContact CE-CB 4Å; M682-A891 WeakPolarHBondContact CE-O 3.32Å; P876-A891 HydrophobicContact CB-CB 3.79Å; P876-A891 HydrophobicContact CG-CB 3.9Å; P876-A891 PolarHBondContact O-N 3.35Å; A891-R906 CarbonylContact C-O 3.56Å; A891-R906 WeakPolarHBondContact CA-O 3.28Å; A891-F907 HydrophobicContact CB-CD1 3.82Å; A891-F907 HydrophobicContact CB-CE1 3.65Å; A891-F907 HydrophobicContact CB-CZ 4.49Å
892F91.1Very high85.7Confident1 Ų133.4 Ų33.40%0.00420%0.198CC..EExtended strand (participates in β ladder)trans-140.6148.9170.565.8-89.1000110.6E111 M112 H114 M682 Y793 L905 R906 K908E111-F892 WeakPolarHBondContact O-CE2 3.3Å; M112-F892 WeakPolarHBondContact O-CZ 3.39Å; H114-F892 HydrophobicContact CB-CB 4.43Å; H114-F892 HydrophobicContact CB-CD1 3.8Å; H114-F892 HydrophobicContact CB-CD2 3.79Å; H114-F892 HydrophobicContact CB-CE1 3.86Å; H114-F892 HydrophobicContact CB-CE2 3.83Å; H114-F892 HydrophobicContact CB-CG 3.75Å; H114-F892 HydrophobicContact CB-CZ 3.85Å; H114-F892 AromaticContact CG-CG 3.98Å; M682-F892 VanDerWaalsContact CE-CA 3.48Å; Y793-F892 VanDerWaalsContact OH-CA 3.23Å; Y793-F892 WeakPolarHBondContact OH-CA 3.48Å; Y793-F892 WeakPolarHBondContact OH-CB 3.48Å; F892-L905 CarbonylContact O-C 3.53Å; F892-L905 WeakPolarHBondContact O-CA 3.32Å; F892-L905 WeakPolarHBondContact O-CB 3.36Å; F892-R906 HydrophobicContact CD1-CB 4.28Å; F892-R906 WeakPolarHBondContact CD1-O 3.35Å; F892-R906 HydrophobicContact CD2-CB 4.26Å; F892-R906 HydrophobicContact CE1-CB 3.65Å; F892-R906 HydrophobicContact CE2-CB 3.64Å; F892-R906 HydrophobicContact CE2-CG 4.42Å; F892-R906 HydrophobicContact CZ-CB 3.31Å; F892-R906 HydrophobicContact CZ-CG 4.29Å; F892-R906 PolarHBondContact N-O 2.91Å; F892-R906 PolarHBondContact O-N 3.46Å; F892-K908 HydrophobicContact CD1-CB 3.86Å; F892-K908 HydrophobicContact CE1-CB 3.65Å
893P87.1Confident85.8Confident25 Ų2533.3 Ų33.316%0.16220%0.198CC..EExtended strand (participates in β ladder)trans-69.9142.3-176.830.1-32.6000110.3P791 Y793P791-P893 HydrophobicContact CB-CB 3.6Å; P791-P893 HydrophobicContact CB-CG 3.85Å; P791-P893 HydrophobicContact CG-CB 4.23Å; P791-P893 HydrophobicContact CG-CG 4.23Å; Y793-P893 HydrophobicContact CD2-CG 4.17Å; Y793-P893 HydrophobicContact CE2-CG 3.51Å; Y793-P893 WeakPolarHBondContact OH-CD 3.21Å
894S84.5Confident86.3Confident13 Ų1331 Ų319%0.09119%0.186CC..  trans-146.1116.9176.7-168.40000109.9N896 A904 R906S894-N896 PolarHBondContact O-N 2.84Å; S894-A904 PolarHBondContact N-O 2.67Å; S894-A904 CarbonylContact O-C 3.59Å; S894-A904 VanDerWaalsContact O-CA 3.29Å; S894-A904 WeakPolarHBondContact O-CA 3.43Å; S894-A904 WeakPolarHBondContact O-CB 3.48Å; S894-A904 VanDerWaalsContact O-O 3.07Å; S894-R906 WeakPolarHBondContact OG-CD 3.49Å; S894-R906 PolarHBondContact OG-NE 3.41Å
895L74.1Confident86.8Confident82 Ų8229.4 Ų29.443%0.42918%0.177SC..SBendtrans-71-16.6-176-64.9167.9000113.2T686 Y689T686-L895 WeakPolarHBondContact CG2-O 3.44Å; Y689-L895 HydrophobicContact CD1-CD2 3.75Å; Y689-L895 HydrophobicContact CD2-CD2 3.58Å; Y689-L895 HydrophobicContact CE1-CD2 4.22Å; Y689-L895 HydrophobicContact CE2-CD2 4.05Å; Y689-L895 HydrophobicContact CG-CD2 3.4Å; Y689-L895 VanDerWaalsContact CG-CD2 3.4Å
896N72.9Confident87.1Confident110 Ų11029.7 Ų29.759%0.58818%0.177SC*.  trans-99.8103.7-175.8-66.6-31000110.8S894S894-N896 PolarHBondContact O-N 2.84Å
897G74.6Confident87.2Confident31 Ų3129.4 Ų29.432%0.3218%0.176SC..  trans-123.8149.9173.100000112V899G897-V899 VanDerWaalsContact C-N 3.31Å; G897-V899 PolarHBondContact O-N 3.34Å
898P78.2Confident87.2Confident61 Ų6131 Ų3140%0.39618%0.182SC..SBendtrans-71.2-25.8179.729.1-33.7000113D841 D843D841-P898 HydrophobicContact CB-CG 4.01Å; D841-P898 WeakPolarHBondContact OD2-CG 3.38Å; D843-P898 HydrophobicContact CB-CB 3.82Å; D843-P898 HydrophobicContact CB-CG 4.47Å
899V81.8Confident87.1Confident36 Ų3631.3 Ų31.322%0.21818%0.184CC..SBendtrans-125126.2-175.5-178.40000109.3P844 G897 D901 H902P844-V899 HydrophobicContact CG-CG2 3.63Å; G897-V899 VanDerWaalsContact C-N 3.31Å; G897-V899 PolarHBondContact O-N 3.34Å; V899-D901 VanDerWaalsContact C-N 3.28Å; V899-D901 PolarHBondContact O-N 3.18Å; V899-H902 HydrophobicContact CB-CB 3.93Å; V899-H902 HydrophobicContact CG1-CB 4.38Å; V899-H902 WeakPolarHBondContact O-CB 3.35Å; V899-H902 PolarHBondContact O-N 3.19Å; V899-H902 VanDerWaalsContact O-N 3.11Å
900A79.4Confident86.9Confident59 Ų5932.7 Ų32.749%0.48819%0.191SC..THydrogen-bonded Turntrans-61.6-33.2-17500000113.8T686 S687 H902T686-A900 PolarHBondContact N-O 2.9Å; S687-A900 WeakPolarHBondContact CB-O 3.15Å; S687-A900 PolarHBondContact N-O 3.46Å; S687-A900 PolarHBondContact OG-O 3.25Å; A900-H902 VanDerWaalsContact C-N 3.34Å
901D83.6Confident86.6Confident121 Ų12135.9 Ų35.965%0.64721%0.213SC*.THydrogen-bonded Turntrans-88-0.4179.9-68.2-26.9000113.6V899V899-D901 VanDerWaalsContact C-N 3.28Å; V899-D901 PolarHBondContact O-N 3.18Å
902H90.5Very high86.3Confident18 Ų1836.6 Ų36.68%0.08322%0.217CC..SBendtrans-88.4165.2175.6-78.7-157.5000112P685 T686 C826 D841 V899 A900P685-H902 CarbonylContact C-O 3.56Å; P685-H902 WeakPolarHBondContact CA-O 3.39Å; T686-H902 PolarHBondContact N-O 2.98Å; T686-H902 PolarHBondContact OG1-O 3.31Å; C826-H902 CarbonylContact O-C 3.51Å; C826-H902 WeakPolarHBondContact O-CA 3.31Å; C826-H902 WeakPolarHBondContact O-CB 3.35Å; D841-H902 IonicContact OD1-ND1 2.78Å; D841-H902 PolarHBondContact OD1-ND1 2.94Å; D841-H902 WeakPolarHBondContact OD2-CB 3.35Å; D841-H902 IonicContact OD2-CE1 3.18Å; D841-H902 IonicContact OD2-CG 3.99Å; D841-H902 IonicContact OD2-ND1 2.72Å; D841-H902 PolarHBondContact OD2-ND1 2.84Å; V899-H902 HydrophobicContact CB-CB 3.93Å; V899-H902 HydrophobicContact CG1-CB 4.38Å; V899-H902 WeakPolarHBondContact O-CB 3.35Å; V899-H902 PolarHBondContact O-N 3.19Å; V899-H902 VanDerWaalsContact O-N 3.11Å; A900-H902 VanDerWaalsContact C-N 3.34Å
903L91.1Very high85.7Confident4 Ų439.2 Ų39.22%0.02123%0.229CC..BIsolated β-bridgetrans-66.1133.3-175.6-62.4173.3000112.7F683 W805 I817 C826 Y827 L905F683-L903 HydrophobicContact CB-CD2 4.11Å; F683-L903 HydrophobicContact CD1-CD1 3.65Å; F683-L903 HydrophobicContact CD1-CD2 4.4Å; F683-L903 HydrophobicContact CE1-CD1 4.1Å; W805-L903 HydrophobicContact CE3-CD1 4.3Å; W805-L903 HydrophobicContact CE3-CD2 4.42Å; W805-L903 HydrophobicContact CH2-CD2 3.57Å; W805-L903 HydrophobicContact CZ2-CD2 4.12Å; W805-L903 HydrophobicContact CZ3-CD1 4.31Å; W805-L903 HydrophobicContact CZ3-CD2 3.74Å; W805-L903 HydrophobicContact CZ3-CG 4.35Å; I817-L903 HydrophobicContact CD1-CD1 4.29Å; I817-L903 HydrophobicContact CG2-CD1 4.04Å; C826-L903 HydrophobicContact CB-CG 4.1Å; C826-L903 PolarHBondContact O-N 2.93Å; Y827-L903 HydrophobicContact CD2-CB 3.92Å; Y827-L903 HydrophobicContact CE2-CB 4.45Å; L903-L905 HydrophobicContact CB-CD2 4.18Å; L903-L905 HydrophobicContact CB-CG 3.99Å; L903-L905 HydrophobicContact CD1-CD2 4.29Å; L903-L905 PolarHBondContact O-N 2.91Å
904A89.3Confident85.6Confident1 Ų138.6 Ų38.61%0.00823%0.225CC..SBendtrans-83.754.9177.100000112.6V684 Y689 S894V684-A904 PolarHBondContact O-N 2.87Å; Y689-A904 HydrophobicContact CD2-CB 3.93Å; Y689-A904 HydrophobicContact CE2-CB 3.72Å; S894-A904 PolarHBondContact N-O 2.67Å; S894-A904 CarbonylContact O-C 3.59Å; S894-A904 VanDerWaalsContact O-CA 3.29Å; S894-A904 WeakPolarHBondContact O-CA 3.43Å; S894-A904 WeakPolarHBondContact O-CB 3.48Å; S894-A904 VanDerWaalsContact O-O 3.07Å
905L91.4Very high85.5Confident4 Ų438.1 Ų38.12%0.02122%0.222CC..EExtended strand (participates in β ladder)trans-144.6164-178.964.882.2000112.6F683 Y827 F892 L903 F907F683-L905 HydrophobicContact CD1-CD2 4.11Å; F683-L905 HydrophobicContact CD2-CD2 3.9Å; F683-L905 HydrophobicContact CE1-CD2 4.22Å; F683-L905 HydrophobicContact CE2-CD2 3.97Å; F683-L905 HydrophobicContact CG-CD2 3.95Å; F683-L905 HydrophobicContact CZ-CD2 4.15Å; Y827-L905 HydrophobicContact CE2-CD1 4.29Å; Y827-L905 VanDerWaalsContact CE2-O 3.28Å; Y827-L905 WeakPolarHBondContact CE2-O 3.31Å; Y827-L905 PolarHBondContact OH-O 2.74Å; F892-L905 CarbonylContact O-C 3.53Å; F892-L905 WeakPolarHBondContact O-CA 3.32Å; F892-L905 WeakPolarHBondContact O-CB 3.36Å; L903-L905 HydrophobicContact CB-CD2 4.18Å; L903-L905 HydrophobicContact CB-CG 3.99Å; L903-L905 HydrophobicContact CD1-CD2 4.29Å; L903-L905 PolarHBondContact O-N 2.91Å; L905-F907 HydrophobicContact CD1-CD2 3.91Å; L905-F907 HydrophobicContact CD1-CE1 4.21Å; L905-F907 HydrophobicContact CD1-CE2 3.23Å; L905-F907 HydrophobicContact CD1-CZ 3.4Å; L905-F907 VanDerWaalsContact CD1-CZ 3.4Å
906R93.1Very high85.8Confident34 Ų3434.4 Ų34.413%0.12820%0.202CC..EExtended strand (participates in β ladder)trans-133.6167.4172.7-72.6179.2-173.3-156.7-1.6109.4M112 L839 F840 A891 F892 S894M112-R906 PolarHBondContact O-NH1 2.69Å; L839-R906 WeakPolarHBondContact O-CA 3.47Å; F840-R906 HydrophobicContact CB-CG 4.24Å; A891-R906 CarbonylContact C-O 3.56Å; A891-R906 WeakPolarHBondContact CA-O 3.28Å; F892-R906 HydrophobicContact CD1-CB 4.28Å; F892-R906 WeakPolarHBondContact CD1-O 3.35Å; F892-R906 HydrophobicContact CD2-CB 4.26Å; F892-R906 HydrophobicContact CE1-CB 3.65Å; F892-R906 HydrophobicContact CE2-CB 3.64Å; F892-R906 HydrophobicContact CE2-CG 4.42Å; F892-R906 HydrophobicContact CZ-CB 3.31Å; F892-R906 HydrophobicContact CZ-CG 4.29Å; F892-R906 PolarHBondContact N-O 2.91Å; F892-R906 PolarHBondContact O-N 3.46Å; S894-R906 WeakPolarHBondContact OG-CD 3.49Å; S894-R906 PolarHBondContact OG-NE 3.41Å
907F94.9Very high85.9Confident1 Ų131.3 Ų31.30%0.00418%0.184CC..EExtended strand (participates in β ladder)trans-123.1123.1177.7-61.6-90.4000111.3F807 I817 Y827 S838 L839 I878 Y889 E890 A891 L905F807-F907 HydrophobicContact CE1-CZ 4.09Å; F807-F907 HydrophobicContact CZ-CZ 4.26Å; I817-F907 HydrophobicContact CD1-CE2 4.11Å; I817-F907 HydrophobicContact CD1-CZ 4.13Å; Y827-F907 HydrophobicContact CE1-CD2 4.35Å; Y827-F907 HydrophobicContact CE1-CE2 4.09Å; S838-F907 CarbonylContact C-O 3.58Å; S838-F907 VanDerWaalsContact CA-O 3.28Å; S838-F907 WeakPolarHBondContact CA-O 3.3Å; L839-F907 HydrophobicContact CB-CB 4.02Å; L839-F907 HydrophobicContact CB-CD2 4.33Å; L839-F907 HydrophobicContact CD1-CB 4.14Å; L839-F907 HydrophobicContact CG-CB 4.2Å; L839-F907 PolarHBondContact N-O 3.06Å; L839-F907 PolarHBondContact O-N 2.88Å; I878-F907 HydrophobicContact CD1-CD1 3.61Å; I878-F907 HydrophobicContact CD1-CD2 4.37Å; I878-F907 HydrophobicContact CD1-CE1 3.52Å; I878-F907 HydrophobicContact CD1-CE2 4.29Å; I878-F907 HydrophobicContact CD1-CG 4.04Å; I878-F907 HydrophobicContact CD1-CZ 3.89Å; I878-F907 HydrophobicContact CG1-CD1 4.06Å; I878-F907 HydrophobicContact CG1-CE1 3.89Å; Y889-F907 HydrophobicContact CD1-CB 4.2Å; Y889-F907 HydrophobicContact CG-CB 4.46Å; E890-F907 CarbonylContact O-C 3.53Å; E890-F907 VanDerWaalsContact O-CA 3.24Å; E890-F907 WeakPolarHBondContact O-CA 3.39Å; A891-F907 HydrophobicContact CB-CD1 3.82Å; A891-F907 HydrophobicContact CB-CE1 3.65Å; A891-F907 HydrophobicContact CB-CZ 4.49Å; L905-F907 HydrophobicContact CD1-CD2 3.91Å; L905-F907 HydrophobicContact CD1-CE1 4.21Å; L905-F907 HydrophobicContact CD1-CE2 3.23Å; L905-F907 HydrophobicContact CD1-CZ 3.4Å; L905-F907 VanDerWaalsContact CD1-CZ 3.4Å
908K93.5Very high85.4Confident37 Ų3731 Ų3116%0.16118%0.176CC..EExtended strand (participates in β ladder)trans-92.8134.2176.3177.8-177.4-179.4178.90109.2E73 H114 Y889 E890 F892 I910E73-K908 IonicContact OE1-NZ 3.7Å; H114-K908 HydrophobicContact CB-CD 4.12Å; H114-K908 WeakPolarHBondContact O-CD 3.1Å; H114-K908 WeakPolarHBondContact O-CE 3.21Å; H114-K908 PolarHBondContact O-NZ 3.04Å; Y889-K908 CarbonylContact C-O 3.58Å; Y889-K908 VanDerWaalsContact CA-O 3.22Å; Y889-K908 WeakPolarHBondContact CA-O 3.42Å; E890-K908 PolarHBondContact N-O 2.83Å; E890-K908 PolarHBondContact O-N 2.88Å; F892-K908 HydrophobicContact CD1-CB 3.86Å; F892-K908 HydrophobicContact CE1-CB 3.65Å; K908-I910 PolarHBondContact O-N 2.94Å
909R93.6Very high84.5Confident7 Ų730.9 Ų30.93%0.02617%0.17CC..EExtended strand (participates in β ladder)trans-70.2125.8172.6-169.4171.6174.9-167.3-12.8110.1G835 Q837 I888 Y889 L1406 S1407 T1408 D1409G835-R909 PolarHBondContact O-NH1 2.83Å; Q837-R909 WeakPolarHBondContact O-CB 3.38Å; Q837-R909 PolarHBondContact O-N 2.91Å; I888-R909 WeakPolarHBondContact O-CA 3.12Å; Y889-R909 HydrophobicContact CD1-CB 3.99Å; Y889-R909 HydrophobicContact CE1-CB 3.64Å; Y889-R909 HydrophobicContact CE1-CG 4.09Å; R909-L1406 PolarHBondContact NH2-O 3.34Å; R909-L1406 VanDerWaalsContact NH2-O 3.08Å; R909-S1407 PolarHBondContact NH1-O 2.96Å; R909-S1407 PolarHBondContact NH2-O 3.09Å; R909-T1408 PolarHBondContact NH1-O 3.48Å; R909-T1408 PolarHBondContact NH2-O 3.19Å; R909-D1409 IonicContact NH1-OD1 2.74Å
910I92.1Very high83.1Confident28 Ų2835.5 Ų35.514%0.14419%0.193CC..PPolyproline II helixtrans-83.3120.1171.5-64.4-179.5000108.4I888 E890 K908 N912 L959I888-I910 HydrophobicContact CB-CB 4.21Å; I888-I910 HydrophobicContact CG2-CB 4.16Å; I888-I910 HydrophobicContact CG2-CD1 3.98Å; I888-I910 HydrophobicContact CG2-CG1 4.4Å; I888-I910 PolarHBondContact O-N 3.22Å; E890-I910 HydrophobicContact CB-CD1 3.96Å; E890-I910 HydrophobicContact CB-CG1 4.19Å; K908-I910 PolarHBondContact O-N 2.94Å; I910-N912 PolarHBondContact O-N 3.17Å; I910-L959 HydrophobicContact CD1-CD2 4.09Å
911P88.1Confident81.9Confident81 Ų8135.1 Ų35.153%0.52619%0.187SC..PPolyproline II helixtrans-65.6129.4176.227.8-33.2000109.7
912N86.7Confident80.5Confident15 Ų1536.5 Ų36.58%0.0819%0.193CC..  trans-142.1149.2176.173.881.6000110.8L886 I888 I910 T914 I961L886-N912 PolarHBondContact O-ND2 3.23Å; I888-N912 HydrophobicContact CD1-CB 4.5Å; I910-N912 PolarHBondContact O-N 3.17Å; N912-T914 HydrophobicContact CB-CG2 4.42Å; N912-T914 PolarHBondContact OD1-N 2.8Å; N912-T914 PolarHBondContact OD1-OG1 2.93Å; N912-I961 HydrophobicContact CB-CD1 3.82Å
913M80Confident78.8Confident56 Ų5637 Ų3728%0.27620%0.197SC..  trans-105.733.5-176.5-51.6-51.9175.300111.3F1403 Q1435M913-F1403 HydrophobicContact CB-CD1 4.19Å; M913-F1403 HydrophobicContact CE-CB 4.19Å; M913-F1403 HydrophobicContact CG-CB 4.26Å; M913-F1403 VanDerWaalsContact SD-C 3.56Å; M913-F1403 HydrophobicContact SD-CB 3.66Å; M913-F1403 HydrophobicContact SD-CD1 4.45Å; M913-Q1435 PolarHBondContact O-NE2 2.83Å; M913-Q1435 VanDerWaalsContact O-NE2 3.15Å; M913-Q1435 PolarHBondContact O-OE1 3.21Å
914T84.5Confident77.3Confident12 Ų1242.3 Ų42.37%0.07423%0.226CC..  trans-86.2140-175.165.50000111.4L886 N912 I961L886-T914 WeakPolarHBondContact CB-OG1 3.5Å; L886-T914 HydrophobicContact CD2-CG2 4.26Å; N912-T914 HydrophobicContact CB-CG2 4.42Å; N912-T914 PolarHBondContact OD1-N 2.8Å; N912-T914 PolarHBondContact OD1-OG1 2.93Å; T914-I961 HydrophobicContact CG2-CB 4.14Å; T914-I961 HydrophobicContact CG2-CD1 3.63Å; T914-I961 HydrophobicContact CG2-CG1 4.5Å; T914-I961 HydrophobicContact CG2-CG2 3.59Å
915V81.2Confident76.1Confident3 Ų343.3 Ų43.32%0.01823%0.231CC..  trans-129.397.9179.3177.70000108.6L1406 F1428 A1432V915-L1406 HydrophobicContact CG2-CD1 4.18Å; V915-F1428 HydrophobicContact CB-CE1 4.23Å; V915-F1428 HydrophobicContact CB-CZ 4.16Å; V915-F1428 HydrophobicContact CG1-CD1 4.22Å; V915-F1428 HydrophobicContact CG1-CE1 3.34Å; V915-F1428 HydrophobicContact CG1-CZ 3.77Å; V915-F1428 HydrophobicContact CG2-CE1 4.25Å; V915-F1428 HydrophobicContact CG2-CZ 3.93Å; V915-A1432 HydrophobicContact CB-CB 4.36Å; V915-A1432 HydrophobicContact CG1-CB 3.47Å; V915-A1432 VanDerWaalsContact CG1-CB 3.47Å; V915-A1432 HydrophobicContact CG2-CB 4.36Å
916I81.8Confident75.1Confident3 Ų346.7 Ų46.72%0.01526%0.255CS..  trans-88.4-21.3-178.8-51.7170.7000111.5L886 I943 Y949L886-I916 HydrophobicContact CB-CD1 3.76Å; L886-I916 HydrophobicContact CD1-CD1 4.42Å; L886-I916 HydrophobicContact CG-CD1 4.47Å; I916-I943 HydrophobicContact CD1-CG2 3.63Å; I916-I943 HydrophobicContact CG1-CG2 4.28Å; I916-Y949 HydrophobicContact CG1-CE2 4.49Å
917K74.6Confident74.7Confident46 Ų4646.5 Ų46.520%0.226%0.255CS..  trans-58.9140.5-174.9-167.1-173.5172.1-158.70113.9D884 F1428 D1429 R1436D884-K917 HydrophobicContact CB-CB 4.14Å; D884-K917 HydrophobicContact CB-CG 4.29Å; K917-F1428 HydrophobicContact CB-CD1 4.47Å; K917-F1428 HydrophobicContact CB-CE1 3.82Å; K917-F1428 HydrophobicContact CD-CD1 4.14Å; K917-F1428 HydrophobicContact CD-CE1 4.26Å; K917-D1429 IonicContact NZ-OD1 2.68Å; K917-D1429 PolarHBondContact NZ-OD1 2.84Å; K917-R1436 PolarHBondContact O-NH2 3.45Å
918T64.7Low74.6Confident25 Ų2547 Ų4715%0.15326%0.257CS..  trans-98.2153.8178.6600000112.2S921 N946 Y947T918-S921 PolarHBondContact OG1-O 3.12Å; T918-N946 HydrophobicContact CG2-CB 3.59Å; T918-N946 VanDerWaalsContact CG2-CG 3.45Å; T918-N946 WeakPolarHBondContact CG2-ND2 3.16Å; T918-Y947 HydrophobicContact CG2-CE2 4.36Å
919H58Low74.6Confident58 Ų5845.8 Ų45.827%0.26925%0.252SS..SBendtrans-85-42.8174.1-77-65.4000113.1R1436H919-R1436 PolarHBondContact CD2-NH1 2.84Å; H919-R1436 PolarHBondContact NE2-NH1 2.79Å
920D53.1Low74.7Confident132 Ų13246.5 Ų46.571%0.70626%0.255SS*.SBendtrans-127.3-14.9-160.9-68.2-28.1000115.1
921S54.5Low74.8Confident52 Ų5248.7 Ų48.736%0.36426%0.262SS..  trans-122.4126.6-172.457.70000111.5T918 C923 N946T918-S921 PolarHBondContact OG1-O 3.12Å; S921-C923 PolarHBondContact O-N 2.93Å; S921-C923 VanDerWaalsContact O-N 3.11Å; S921-N946 PolarHBondContact OG-ND2 3.32Å
922I53.7Low75.2Confident150 Ų15044.8 Ų44.877%0.76924%0.237SC*.  trans-57.2117.2165.4-55.2171.5000106.7N924I922-N924 VanDerWaalsContact CG2-OD1 3.24Å; I922-N924 WeakPolarHBondContact CG2-OD1 3.48Å; I922-N924 PolarHBondContact O-N 3.07Å
923C53.8Low75.3Confident27 Ų2747.2 Ų47.218%0.18225%0.25CC..  trans-72.993.8173.8-1780000107.5S921 I925S921-C923 PolarHBondContact O-N 2.93Å; S921-C923 VanDerWaalsContact O-N 3.11Å; C923-I925 PolarHBondContact O-N 3.26Å
924N59.7Low75.7Confident116 Ų11647 Ų4762%0.6225%0.25SS*.  trans-72.413-179.7-71.9-12.2000113.7W524 I922W524-N924 HydrophobicContact CH2-CB 4.38Å; W524-N924 WeakPolarHBondContact CH2-O 3.18Å; W524-N924 VanDerWaalsContact CZ2-O 3.23Å; W524-N924 WeakPolarHBondContact CZ2-O 3.45Å; I922-N924 VanDerWaalsContact CG2-OD1 3.24Å; I922-N924 WeakPolarHBondContact CG2-OD1 3.48Å; I922-N924 PolarHBondContact O-N 3.07Å
925I64.6Low76Confident23 Ų2346.5 Ų46.512%0.11825%0.247CC..  trans-87118.8-177-62.8163.7000109.2C923 K927 R928 Q969 V970C923-I925 PolarHBondContact O-N 3.26Å; I925-K927 WeakPolarHBondContact CG2-O 3.47Å; I925-R928 HydrophobicContact CB-CG 4.43Å; I925-R928 HydrophobicContact CG2-CG 3.91Å; I925-Q969 HydrophobicContact CD1-CG 4.46Å; I925-V970 WeakPolarHBondContact CD1-O 3.11Å
926S71.7Confident76.3Confident74 Ų7447.6 Ų47.652%0.51726%0.255SS..SBendtrans-76.4-26.9-174.759.90000115.4R525R525-S926 PolarHBondContact NH2-OG 2.81Å
927K84.8Confident76.5Confident30 Ų3048.1 Ų48.113%0.1326%0.261CS..  trans-137138.7170.2-60.3-89.9-174.9167.80109.7R525 D626 E863 I925R525-K927 VanDerWaalsContact CZ-CB 3.43Å; D626-K927 VanDerWaalsContact CG-NZ 3.26Å; D626-K927 WeakPolarHBondContact OD1-CE 3.35Å; D626-K927 IonicContact OD1-NZ 3.24Å; D626-K927 PolarHBondContact OD1-NZ 2.84Å; D626-K927 WeakPolarHBondContact OD2-CE 3.37Å; D626-K927 IonicContact OD2-NZ 2.79Å; D626-K927 PolarHBondContact OD2-NZ 3.11Å; E863-K927 VanDerWaalsContact CD-CD 3.49Å; E863-K927 HydrophobicContact CG-CD 3.76Å; E863-K927 WeakPolarHBondContact OE1-CB 3.37Å; E863-K927 WeakPolarHBondContact OE1-CD 3.26Å; I925-K927 WeakPolarHBondContact CG2-O 3.47Å
928R91.3Very high77.3Confident13 Ų1347 Ų475%0.04926%0.255CS..  trans-120.9-17.4-177.4-68.7-175.7-76-167.1-10.4112.1E863 I881 D884 I925 F930 F942 I943 A944E863-R928 PolarHBondContact OE1-N 3.22Å; E863-R928 PolarHBondContact OE2-N 3.49Å; I881-R928 HydrophobicContact CD1-CB 3.67Å; I881-R928 VanDerWaalsContact CG2-NH2 3.26Å; D884-R928 IonicContact OD1-CZ 3.91Å; D884-R928 VanDerWaalsContact OD1-CZ 3.24Å; D884-R928 IonicContact OD1-NH1 2.74Å; D884-R928 PolarHBondContact OD1-NH1 2.87Å; D884-R928 IonicContact OD1-NH2 3.11Å; D884-R928 PolarHBondContact OD1-NH2 2.77Å; I925-R928 HydrophobicContact CB-CG 4.43Å; I925-R928 HydrophobicContact CG2-CG 3.91Å; R928-F930 WeakPolarHBondContact O-CD2 3.45Å; R928-F942 VanDerWaalsContact O-O 3.09Å; R928-I943 CarbonylContact O-C 3.55Å; R928-I943 VanDerWaalsContact O-CA 3.26Å; R928-I943 WeakPolarHBondContact O-CA 3.31Å; R928-A944 WeakPolarHBondContact CB-O 3.42Å; R928-A944 WeakPolarHBondContact CD-O 3.47Å; R928-A944 WeakPolarHBondContact CG-O 3.49Å; R928-A944 PolarHBondContact O-N 3.29Å
929L95.2Very high78.6Confident11 Ų1146.7 Ų46.76%0.05826%0.256CS..EExtended strand (participates in β ladder)trans-95.1114.6-178.2-55.3176.6000110.5E863 L865 F879 I881 L886 I941 I943E863-L929 HydrophobicContact CB-CD1 4.49Å; E863-L929 HydrophobicContact CG-CD1 4Å; E863-L929 HydrophobicContact CG-CG 4.25Å; E863-L929 WeakPolarHBondContact OE1-CB 3.46Å; E863-L929 PolarHBondContact OE1-N 3.15Å; E863-L929 PolarHBondContact OE2-N 3.35Å; L865-L929 HydrophobicContact CB-CB 4.14Å; L865-L929 HydrophobicContact CB-CD1 3.93Å; L865-L929 HydrophobicContact CD2-CB 3.78Å; F879-L929 HydrophobicContact CB-CD1 3.85Å; I881-L929 HydrophobicContact CD1-CD1 4.41Å; I881-L929 HydrophobicContact CD1-CD2 3.8Å; I881-L929 HydrophobicContact CD1-CG 3.85Å; I881-L929 HydrophobicContact CG1-CD1 4.19Å; I881-L929 HydrophobicContact CG1-CD2 4.06Å; I881-L929 HydrophobicContact CG1-CG 4.15Å; L886-L929 HydrophobicContact CD1-CD2 4.04Å; L929-I941 HydrophobicContact CB-CG2 4.17Å; L929-I941 HydrophobicContact CD2-CG2 4.09Å; L929-I943 HydrophobicContact CD2-CG1 4Å
930F95Very high80.4Confident21 Ų2144 Ų449%0.09224%0.243CC..EExtended strand (participates in β ladder)trans-119.7109.6178.4-61.7-90.7000109.9R928 I941 F942 A944 C972 F973R928-F930 WeakPolarHBondContact O-CD2 3.45Å; F930-I941 CarbonylContact O-C 3.58Å; F930-I941 WeakPolarHBondContact O-CA 3.45Å; F930-F942 HydrophobicContact CB-CB 4.35Å; F930-F942 HydrophobicContact CD2-CD1 4.4Å; F930-F942 PolarHBondContact N-O 3.06Å; F930-F942 PolarHBondContact O-N 2.86Å; F930-A944 HydrophobicContact CD2-CB 4.05Å; F930-A944 HydrophobicContact CE2-CB 3.62Å; F930-C972 HydrophobicContact CZ-CB 4.11Å; F930-F973 HydrophobicContact CB-CB 4.3Å; F930-F973 HydrophobicContact CB-CD1 3.71Å; F930-F973 HydrophobicContact CB-CG 4.41Å; F930-F973 HydrophobicContact CD1-CB 4.48Å; F930-F973 WeakPolarHBondContact CD1-O 3.41Å; F930-F973 HydrophobicContact CD2-CB 4.1Å; F930-F973 HydrophobicContact CG-CB 4.04Å; F930-F973 HydrophobicContact CG-CD1 4.32Å
931Y94.8Very high82.5Confident74 Ų7437.7 Ų37.729%0.2921%0.209SC..EExtended strand (participates in β ladder)trans-64.6136.9170.9172.5-106.5000110.2V867 L869 K873 D933 G940V867-Y931 HydrophobicContact CB-CD2 3.95Å; V867-Y931 HydrophobicContact CB-CE2 4.24Å; V867-Y931 HydrophobicContact CG1-CD2 3.53Å; V867-Y931 HydrophobicContact CG1-CE2 4.22Å; V867-Y931 HydrophobicContact CG1-CG 3.9Å; L869-Y931 HydrophobicContact CD2-CE2 4.25Å; K873-Y931 WeakPolarHBondContact CE-OH 3.44Å; Y931-D933 HydrophobicContact CE1-CB 3.85Å; Y931-D933 WeakPolarHBondContact OH-CB 3.08Å; Y931-D933 VanDerWaalsContact OH-CG 3.29Å; Y931-D933 PolarHBondContact OH-OD2 3.37Å; Y931-G940 WeakPolarHBondContact CD2-O 3.33Å
932F94.6Very high84.5Confident0 Ų035.2 Ų35.20%019%0.192CC..EExtended strand (participates in β ladder)trans-131.1147.6168.865.7-95.1000110.2V935 A939 G940 I941 F942 W950 I952 F973 P975F932-V935 HydrophobicContact CB-CG2 3.84Å; F932-V935 HydrophobicContact CD2-CB 3.83Å; F932-V935 HydrophobicContact CD2-CG2 3.7Å; F932-V935 HydrophobicContact CE2-CB 4.32Å; F932-V935 HydrophobicContact CG-CG2 4.05Å; F932-A939 WeakPolarHBondContact O-CA 3.42Å; F932-G940 WeakPolarHBondContact CD1-O 3.41Å; F932-G940 VanDerWaalsContact CZ-CA 3.49Å; F932-G940 PolarHBondContact N-O 2.93Å; F932-G940 PolarHBondContact O-N 2.96Å; F932-I941 VanDerWaalsContact CE1-C 3.46Å; F932-I941 VanDerWaalsContact CE1-N 3.34Å; F932-F942 HydrophobicContact CD1-CB 4.2Å; F932-F942 HydrophobicContact CE1-CB 4.4Å; F932-W950 HydrophobicContact CD1-CE3 4.33Å; F932-W950 HydrophobicContact CD1-CZ3 4.07Å; F932-W950 HydrophobicContact CD2-CZ3 4.45Å; F932-W950 AromaticContact CE1-CE3 3.57Å; F932-W950 HydrophobicContact CE1-CE3 3.57Å; F932-W950 AromaticContact CE1-CZ3 3.73Å; F932-W950 HydrophobicContact CE1-CZ3 3.73Å; F932-W950 HydrophobicContact CE2-CE3 4.35Å; F932-W950 HydrophobicContact CE2-CZ3 4.15Å; F932-W950 HydrophobicContact CG-CZ3 4.43Å; F932-W950 AromaticContact CZ-CE3 3.6Å; F932-W950 HydrophobicContact CZ-CE3 3.6Å; F932-W950 AromaticContact CZ-CZ3 3.79Å; F932-W950 HydrophobicContact CZ-CZ3 3.79Å; F932-I952 HydrophobicContact CZ-CG1 3.93Å; F932-F973 HydrophobicContact CB-CE1 3.97Å; F932-F973 HydrophobicContact CB-CZ 4.32Å; F932-F973 HydrophobicContact CD1-CE1 4.35Å; F932-F973 HydrophobicContact CD1-CZ 4.41Å; F932-P975 HydrophobicContact CB-CB 4.34Å
933D90.2Very high86.5Confident65 Ų6528 Ų2835%0.34816%0.155SC..EExtended strand (participates in β ladder)trans-131.2136.6178.1-163.211.8000108.7K873 Y931 V935K873-D933 WeakPolarHBondContact CE-OD2 3.09Å; K873-D933 IonicContact NZ-OD2 3.58Å; K873-D933 PolarHBondContact NZ-OD2 3.01Å; Y931-D933 HydrophobicContact CE1-CB 3.85Å; Y931-D933 WeakPolarHBondContact OH-CB 3.08Å; Y931-D933 VanDerWaalsContact OH-CG 3.29Å; Y931-D933 PolarHBondContact OH-OD2 3.37Å; D933-V935 VanDerWaalsContact C-N 3.35Å; D933-V935 PolarHBondContact O-N 3.04Å
934N87.5Confident88.4Confident53 Ų5326.8 Ų26.828%0.28315%0.147SC..EExtended strand (participates in β ladder)trans52.445.3178.6-157.820.7000114.5G937 Y938 Y983N934-G937 WeakPolarHBondContact OD1-CA 3.47Å; N934-Y938 CarbonylContact C-O 3.59Å; N934-Y938 WeakPolarHBondContact CA-O 3.14Å; N934-Y938 PolarHBondContact N-O 3.34Å; N934-Y983 HydrophobicContact CB-CD1 4.35Å; N934-Y983 VanDerWaalsContact ND2-CD1 3.33Å; N934-Y983 WeakPolarHBondContact ND2-CD1 3.45Å; N934-Y983 WeakPolarHBondContact ND2-CE1 3.4Å; N934-Y983 VanDerWaalsContact O-CB 3.3Å; N934-Y983 WeakPolarHBondContact O-CB 3.42Å; N934-Y983 WeakPolarHBondContact O-CD1 3.31Å
935V90.9Very high89.8Confident1 Ų121.2 Ų21.21%0.00612%0.117CC..EExtended strand (participates in β ladder)trans-87.7111.6167175.70000107.7F932 D933 G937 Y938 W950 P975 Y983 F985 L999F932-V935 HydrophobicContact CB-CG2 3.84Å; F932-V935 HydrophobicContact CD2-CB 3.83Å; F932-V935 HydrophobicContact CD2-CG2 3.7Å; F932-V935 HydrophobicContact CE2-CB 4.32Å; F932-V935 HydrophobicContact CG-CG2 4.05Å; D933-V935 VanDerWaalsContact C-N 3.35Å; D933-V935 PolarHBondContact O-N 3.04Å; V935-G937 PolarHBondContact O-N 2.92Å; V935-G937 VanDerWaalsContact O-N 3.13Å; V935-Y938 PolarHBondContact N-O 3.24Å; V935-Y938 PolarHBondContact O-N 2.64Å; V935-W950 HydrophobicContact CG1-CH2 4.28Å; V935-W950 HydrophobicContact CG1-CZ3 4.28Å; V935-P975 HydrophobicContact CG2-CB 4.14Å; V935-Y983 CarbonylContact C-O 3.58Å; V935-Y983 WeakPolarHBondContact CA-O 3.3Å; V935-F985 HydrophobicContact CG1-CD1 3.62Å; V935-F985 HydrophobicContact CG1-CE1 4.2Å; V935-L999 HydrophobicContact CG1-CD1 4.06Å; V935-L999 HydrophobicContact CG1-CG 4.13Å
936S88.6Confident90.7Very high25 Ų2521.5 Ų21.518%0.17512%0.119CC..THydrogen-bonded Turntrans45.339.3-169.7-58.50000113.4Y938 Y983 L999S936-Y938 WeakPolarHBondContact O-CD2 3.48Å; S936-Y983 PolarHBondContact N-O 2.69Å; S936-L999 WeakPolarHBondContact OG-CB 3.31Å; S936-L999 PolarHBondContact OG-N 2.76Å; S936-L999 PolarHBondContact OG-O 3.48Å
937G85.8Confident91.5Very high14 Ų1419.2 Ų19.214%0.14410%0.099CC..THydrogen-bonded Turntrans83.41.9179.900000116.2Q50 N934 V935Q50-G937 PolarHBondContact NE2-O 2.85Å; N934-G937 WeakPolarHBondContact OD1-CA 3.47Å; V935-G937 PolarHBondContact O-N 2.92Å; V935-G937 VanDerWaalsContact O-N 3.13Å
938Y91.5Very high91.8Very high22 Ų2217.8 Ų17.89%0.0869%0.093CC..EExtended strand (participates in β ladder)trans-107.9153.1178.8-63.8-83.3000112.6N934 V935 S936 I952 Y1005N934-Y938 CarbonylContact C-O 3.59Å; N934-Y938 WeakPolarHBondContact CA-O 3.14Å; N934-Y938 PolarHBondContact N-O 3.34Å; V935-Y938 PolarHBondContact N-O 3.24Å; V935-Y938 PolarHBondContact O-N 2.64Å; S936-Y938 WeakPolarHBondContact O-CD2 3.48Å; Y938-I952 HydrophobicContact CD1-CG2 3.38Å; Y938-I952 HydrophobicContact CE1-CG2 4.08Å; Y938-I952 HydrophobicContact CG-CG2 3.81Å; Y938-Y1005 HydrophobicContact CD2-CD2 4.35Å; Y938-Y1005 AromaticContact CE2-CD2 3.69Å; Y938-Y1005 HydrophobicContact CE2-CD2 3.69Å; Y938-Y1005 HydrophobicContact CE2-CE2 4.47Å; Y938-Y1005 AromaticContact CZ-CD2 3.99Å; Y938-Y1005 PolarHBondContact OH-N 3.07Å
939A92.4Very high92Very high20 Ų2017.6 Ų17.617%0.1659%0.092CC..EExtended strand (participates in β ladder)trans-122.8149.4170.400000110F932 M953F932-A939 WeakPolarHBondContact O-CA 3.42Å; A939-M953 WeakPolarHBondContact O-CB 3.41Å; A939-M953 PolarHBondContact O-N 3.13Å
940G95.6Very high92Very high0 Ų017 Ų170%09%0.089CC..EExtended strand (participates in β ladder)trans170-161.1-174.100000113.9Y931 F932 A951Y931-G940 WeakPolarHBondContact CD2-O 3.33Å; F932-G940 WeakPolarHBondContact CD1-O 3.41Å; F932-G940 VanDerWaalsContact CZ-CA 3.49Å; F932-G940 PolarHBondContact N-O 2.93Å; F932-G940 PolarHBondContact O-N 2.96Å; G940-A951 CarbonylContact C-O 3.54Å; G940-A951 WeakPolarHBondContact CA-O 3.44Å
941I96.5Very high92.1Very high0 Ų016 Ų160%09%0.085CC..EExtended strand (participates in β ladder)trans-126.9127.7177-72.2162.5000109.8L865 V867 F879 L929 F930 F932 I943 A951L865-I941 HydrophobicContact CD2-CD1 3.76Å; L865-I941 HydrophobicContact CD2-CG1 3.94Å; L865-I941 HydrophobicContact CD2-CG2 4.45Å; L865-I941 HydrophobicContact CG-CD1 4.35Å; V867-I941 HydrophobicContact CG1-CD1 4.39Å; V867-I941 HydrophobicContact CG2-CD1 3.57Å; V867-I941 HydrophobicContact CG2-CG1 4.3Å; F879-I941 HydrophobicContact CB-CD1 3.99Å; F879-I941 HydrophobicContact CD1-CD1 3.75Å; F879-I941 HydrophobicContact CD2-CD1 3.15Å; F879-I941 HydrophobicContact CE1-CB 4.36Å; F879-I941 HydrophobicContact CE1-CD1 3.95Å; F879-I941 HydrophobicContact CE2-CD1 3.39Å; F879-I941 HydrophobicContact CG-CD1 3.35Å; F879-I941 HydrophobicContact CZ-CD1 3.77Å; L929-I941 HydrophobicContact CB-CG2 4.17Å; L929-I941 HydrophobicContact CD2-CG2 4.09Å; F930-I941 CarbonylContact O-C 3.58Å; F930-I941 WeakPolarHBondContact O-CA 3.45Å; F932-I941 VanDerWaalsContact CE1-C 3.46Å; F932-I941 VanDerWaalsContact CE1-N 3.34Å; I941-I943 HydrophobicContact CG2-CG1 4.24Å; I941-A951 PolarHBondContact N-O 3.36Å; I941-A951 WeakPolarHBondContact O-CB 3.46Å; I941-A951 PolarHBondContact O-N 2.98Å
942F96.9Very high92.1Very high0 Ų012.5 Ų12.50%07%0.071CC..EExtended strand (participates in β ladder)trans-87.3127.4166.9-175.9-95.4000109R928 F930 F932 A944 P948 W950 M964 V970 F973R928-F942 VanDerWaalsContact O-O 3.09Å; F930-F942 HydrophobicContact CB-CB 4.35Å; F930-F942 HydrophobicContact CD2-CD1 4.4Å; F930-F942 PolarHBondContact N-O 3.06Å; F930-F942 PolarHBondContact O-N 2.86Å; F932-F942 HydrophobicContact CD1-CB 4.2Å; F932-F942 HydrophobicContact CE1-CB 4.4Å; F942-A944 HydrophobicContact CD1-CB 4.24Å; F942-A944 HydrophobicContact CE1-CB 3.9Å; F942-P948 HydrophobicContact CE1-CB 4.45Å; F942-P948 HydrophobicContact CE2-CB 4.26Å; F942-P948 HydrophobicContact CZ-CB 3.71Å; F942-W950 AromaticContact CD2-CD2 3.79Å; F942-W950 HydrophobicContact CD2-CD2 3.79Å; F942-W950 AromaticContact CD2-CE2 3.58Å; F942-W950 HydrophobicContact CD2-CE3 4.31Å; F942-W950 HydrophobicContact CD2-CG 4.13Å; F942-W950 HydrophobicContact CD2-CH2 4.43Å; F942-W950 AromaticContact CD2-CZ2 3.92Å; F942-W950 HydrophobicContact CD2-CZ2 3.92Å; F942-W950 AromaticContact CD2-NE1 3.8Å; F942-W950 HydrophobicContact CE2-CD2 4.35Å; F942-W950 AromaticContact CE2-CE2 3.77Å; F942-W950 HydrophobicContact CE2-CG 4.49Å; F942-W950 HydrophobicContact CE2-CZ2 4.15Å; F942-W950 AromaticContact CE2-NE1 3.57Å; F942-M964 HydrophobicContact CE2-CE 4.16Å; F942-M964 HydrophobicContact CE2-SD 3.91Å; F942-M964 HydrophobicContact CZ-CE 3.96Å; F942-M964 HydrophobicContact CZ-SD 4.32Å; F942-V970 HydrophobicContact CE1-CB 4.22Å; F942-V970 HydrophobicContact CE1-CG1 3.69Å; F942-V970 HydrophobicContact CZ-CB 4.21Å; F942-V970 HydrophobicContact CZ-CG1 3.98Å; F942-V970 HydrophobicContact CZ-CG2 4.22Å; F942-F973 HydrophobicContact CB-CD1 3.83Å; F942-F973 HydrophobicContact CB-CD2 4.09Å; F942-F973 HydrophobicContact CB-CE1 3.96Å; F942-F973 HydrophobicContact CB-CE2 4.17Å; F942-F973 HydrophobicContact CB-CG 3.92Å; F942-F973 HydrophobicContact CB-CZ 4.13Å; F942-F973 HydrophobicContact CD1-CB 3.44Å; F942-F973 VanDerWaalsContact CD1-CB 3.44Å; F942-F973 HydrophobicContact CD1-CD1 4.23Å; F942-F973 AromaticContact CD1-CD2 3.65Å; F942-F973 HydrophobicContact CD1-CD2 3.65Å; F942-F973 HydrophobicContact CD1-CE2 4.47Å; F942-F973 AromaticContact CD1-CG 3.51Å; F942-F973 HydrophobicContact CD1-CG 3.51Å; F942-F973 AromaticContact CD2-CD2 3.99Å; F942-F973 HydrophobicContact CD2-CD2 3.99Å; F942-F973 HydrophobicContact CD2-CE2 4.1Å; F942-F973 HydrophobicContact CE1-CB 3.83Å; F942-F973 HydrophobicContact CE1-CD2 4.02Å; F942-F973 HydrophobicContact CE1-CG 4.14Å; F942-F973 HydrophobicContact CE2-CD2 4.33Å; F942-F973 HydrophobicContact CG-CB 4.19Å; F942-F973 HydrophobicContact CG-CD1 4.18Å; F942-F973 AromaticContact CG-CD2 3.62Å; F942-F973 HydrophobicContact CG-CD2 3.62Å; F942-F973 AromaticContact CG-CE2 3.98Å; F942-F973 HydrophobicContact CG-CE2 3.98Å; F942-F973 AromaticContact CG-CG 3.73Å; F942-F973 HydrophobicContact CG-CG 3.73Å; F942-F973 HydrophobicContact CG-CZ 4.44Å; F942-F973 HydrophobicContact CZ-CD2 4.34Å
943I95.2Very high92Very high0 Ų013 Ų130%07%0.073CC..EExtended strand (participates in β ladder)trans-103.7101.8179.8-58.6148.2000106.6L886 I916 R928 L929 I941 P948 Y949 A951L886-I943 HydrophobicContact CD2-CD1 3.58Å; I916-I943 HydrophobicContact CD1-CG2 3.63Å; I916-I943 HydrophobicContact CG1-CG2 4.28Å; R928-I943 CarbonylContact O-C 3.55Å; R928-I943 VanDerWaalsContact O-CA 3.26Å; R928-I943 WeakPolarHBondContact O-CA 3.31Å; L929-I943 HydrophobicContact CD2-CG1 4Å; I941-I943 HydrophobicContact CG2-CG1 4.24Å; I943-P948 CarbonylContact O-C 3.55Å; I943-P948 WeakPolarHBondContact O-CA 3.49Å; I943-Y949 PolarHBondContact N-O 3.37Å; I943-Y949 PolarHBondContact O-N 3.05Å; I943-A951 HydrophobicContact CD1-CB 4.25Å
944A92.9Very high92Very high0 Ų010.1 Ų10.10%06%0.058CC..  trans-78.8170.7176.400000111.8R928 F930 F942 V970R928-A944 WeakPolarHBondContact CB-O 3.42Å; R928-A944 WeakPolarHBondContact CD-O 3.47Å; R928-A944 WeakPolarHBondContact CG-O 3.49Å; R928-A944 PolarHBondContact O-N 3.29Å; F930-A944 HydrophobicContact CD2-CB 4.05Å; F930-A944 HydrophobicContact CE2-CB 3.62Å; F942-A944 HydrophobicContact CD1-CB 4.24Å; F942-A944 HydrophobicContact CE1-CB 3.9Å; A944-V970 HydrophobicContact CB-CG1 4.37Å
945G89.4Confident91.8Very high0 Ų09.3 Ų9.30%06%0.056CC..BIsolated β-bridgetrans130.7-167.5-175.700000112Y947 Q969 V970G945-Y947 PolarHBondContact O-N 3.33Å; G945-Q969 WeakPolarHBondContact O-CA 3.31Å; G945-V970 PolarHBondContact N-O 2.61Å; G945-V970 PolarHBondContact O-N 2.88Å
946N84.8Confident91.7Very high28 Ų2810 Ų1015%0.156%0.059CC..SBendtrans-67.3-27.1179.6-69.728.7000113.1T918 S921 Q969T918-N946 HydrophobicContact CG2-CB 3.59Å; T918-N946 VanDerWaalsContact CG2-CG 3.45Å; T918-N946 WeakPolarHBondContact CG2-ND2 3.16Å; S921-N946 PolarHBondContact OG-ND2 3.32Å; N946-Q969 PolarHBondContact OD1-NE2 3.29Å
947Y87Confident91.7Very high27 Ų278.9 Ų8.911%0.1065%0.051CC..SBendtrans-125.588.7176.7-59.9-77000107.3T918 G945 Y949 E1319 R1436T918-Y947 HydrophobicContact CG2-CE2 4.36Å; G945-Y947 PolarHBondContact O-N 3.33Å; Y947-Y949 WeakPolarHBondContact O-CD2 3.31Å; Y947-Y949 VanDerWaalsContact O-CE2 3.3Å; Y947-Y949 WeakPolarHBondContact O-CE2 3.46Å; Y947-E1319 HydrophobicContact CD1-CG 4.47Å; Y947-E1319 HydrophobicContact CE1-CB 3.96Å; Y947-E1319 HydrophobicContact CE1-CG 4.01Å; Y947-E1319 PolarHBondContact OH-O 2.6Å; Y947-R1436 VanDerWaalsContact CZ-CZ 3.47Å; Y947-R1436 VanDerWaalsContact CZ-NH2 3.35Å
948P92.1Very high91.9Very high0 Ų09.2 Ų9.20%05%0.049CC..  trans-72.1146.6-176.5-7.820.9000111.6F942 I943 M964 G968 V970F942-P948 HydrophobicContact CE1-CB 4.45Å; F942-P948 HydrophobicContact CE2-CB 4.26Å; F942-P948 HydrophobicContact CZ-CB 3.71Å; I943-P948 CarbonylContact O-C 3.55Å; I943-P948 WeakPolarHBondContact O-CA 3.49Å; P948-M964 HydrophobicContact CB-CB 4.34Å; P948-M964 VanDerWaalsContact CD-O 3.3Å; P948-M964 WeakPolarHBondContact CD-O 3.38Å; P948-M964 VanDerWaalsContact CG-O 3.22Å; P948-M964 WeakPolarHBondContact CG-O 3.19Å; P948-M964 PolarHBondContact O-N 2.87Å; P948-G968 VanDerWaalsContact CG-O 3.32Å; P948-G968 WeakPolarHBondContact CG-O 3.5Å; P948-V970 HydrophobicContact CB-CB 4.35Å; P948-V970 HydrophobicContact CB-CG2 4.15Å; P948-V970 HydrophobicContact CG-CB 3.99Å; P948-V970 HydrophobicContact CG-CG2 3.62Å
949Y94.4Very high92Very high8 Ų89.2 Ų9.23%0.0315%0.051CC..EExtended strand (participates in β ladder)trans-136.8147.7175.2-66.9-90000111.8I916 I943 Y947 I961 H962 P963I916-Y949 HydrophobicContact CG1-CE2 4.49Å; I943-Y949 PolarHBondContact N-O 3.37Å; I943-Y949 PolarHBondContact O-N 3.05Å; Y947-Y949 WeakPolarHBondContact O-CD2 3.31Å; Y947-Y949 VanDerWaalsContact O-CE2 3.3Å; Y947-Y949 WeakPolarHBondContact O-CE2 3.46Å; Y949-I961 HydrophobicContact CD1-CG2 3.88Å; Y949-I961 HydrophobicContact CG-CG2 4.15Å; Y949-H962 CarbonylContact C-O 3.55Å; Y949-H962 VanDerWaalsContact CA-O 3.3Å; Y949-H962 WeakPolarHBondContact CA-O 3.47Å; Y949-P963 HydrophobicContact CD1-CB 3.93Å; Y949-P963 HydrophobicContact CE1-CB 3.7Å; Y949-P963 HydrophobicContact CE1-CG 4.48Å
950W95.7Very high92.1Very high0 Ų09.5 Ų9.50%05%0.047CC..EExtended strand (participates in β ladder)trans-100.5113166.8-71.385.5000109.1V510 F932 V935 F942 I952 I961 H962 M964 F973 F985 L999V510-W950 HydrophobicContact CG2-CB 4.49Å; V510-W950 HydrophobicContact CG2-CG 4.24Å; F932-W950 HydrophobicContact CD1-CE3 4.33Å; F932-W950 HydrophobicContact CD1-CZ3 4.07Å; F932-W950 HydrophobicContact CD2-CZ3 4.45Å; F932-W950 AromaticContact CE1-CE3 3.57Å; F932-W950 HydrophobicContact CE1-CE3 3.57Å; F932-W950 AromaticContact CE1-CZ3 3.73Å; F932-W950 HydrophobicContact CE1-CZ3 3.73Å; F932-W950 HydrophobicContact CE2-CE3 4.35Å; F932-W950 HydrophobicContact CE2-CZ3 4.15Å; F932-W950 HydrophobicContact CG-CZ3 4.43Å; F932-W950 AromaticContact CZ-CE3 3.6Å; F932-W950 HydrophobicContact CZ-CE3 3.6Å; F932-W950 AromaticContact CZ-CZ3 3.79Å; F932-W950 HydrophobicContact CZ-CZ3 3.79Å; V935-W950 HydrophobicContact CG1-CH2 4.28Å; V935-W950 HydrophobicContact CG1-CZ3 4.28Å; F942-W950 AromaticContact CD2-CD2 3.79Å; F942-W950 HydrophobicContact CD2-CD2 3.79Å; F942-W950 AromaticContact CD2-CE2 3.58Å; F942-W950 HydrophobicContact CD2-CE3 4.31Å; F942-W950 HydrophobicContact CD2-CG 4.13Å; F942-W950 HydrophobicContact CD2-CH2 4.43Å; F942-W950 AromaticContact CD2-CZ2 3.92Å; F942-W950 HydrophobicContact CD2-CZ2 3.92Å; F942-W950 AromaticContact CD2-NE1 3.8Å; F942-W950 HydrophobicContact CE2-CD2 4.35Å; F942-W950 AromaticContact CE2-CE2 3.77Å; F942-W950 HydrophobicContact CE2-CG 4.49Å; F942-W950 HydrophobicContact CE2-CZ2 4.15Å; F942-W950 AromaticContact CE2-NE1 3.57Å; W950-I952 HydrophobicContact CB-CD1 4.06Å; W950-I952 HydrophobicContact CB-CG1 4.13Å; W950-I952 HydrophobicContact CE3-CD1 4.4Å; W950-I952 HydrophobicContact CE3-CG1 4.41Å; W950-I961 CarbonylContact O-C 3.52Å; W950-I961 VanDerWaalsContact O-CA 3.25Å; W950-I961 WeakPolarHBondContact O-CA 3.49Å; W950-H962 HydrophobicContact CB-CB 4.32Å; W950-H962 PolarHBondContact N-O 2.73Å; W950-H962 PolarHBondContact O-N 3.46Å; W950-M964 PolarHBondContact NE1-SD 2.86Å; W950-F973 AromaticContact CH2-CE2 3.51Å; W950-F973 HydrophobicContact CH2-CE2 3.51Å; W950-F973 AromaticContact CH2-CZ 3.72Å; W950-F973 HydrophobicContact CH2-CZ 3.72Å; W950-F973 AromaticContact CZ2-CE2 3.88Å; W950-F973 HydrophobicContact CZ2-CE2 3.88Å; W950-F973 HydrophobicContact CZ3-CE2 4.27Å; W950-F973 HydrophobicContact CZ3-CZ 4.1Å; W950-F985 AromaticContact CH2-CD1 3.84Å; W950-F985 HydrophobicContact CH2-CD1 3.84Å; W950-F985 HydrophobicContact CH2-CD2 4.15Å; W950-F985 AromaticContact CH2-CE1 3.75Å; W950-F985 HydrophobicContact CH2-CE1 3.75Å; W950-F985 HydrophobicContact CH2-CE2 4.06Å; W950-F985 HydrophobicContact CH2-CG 4.02Å; W950-F985 AromaticContact CH2-CZ 3.83Å; W950-F985 HydrophobicContact CH2-CZ 3.83Å; W950-F985 HydrophobicContact CZ2-CD1 4.37Å; W950-F985 HydrophobicContact CZ2-CD2 4.17Å; W950-F985 AromaticContact CZ2-CE1 3.92Å; W950-F985 HydrophobicContact CZ2-CE1 3.92Å; W950-F985 AromaticContact CZ2-CE2 3.67Å; W950-F985 HydrophobicContact CZ2-CE2 3.67Å; W950-F985 HydrophobicContact CZ2-CG 4.46Å; W950-F985 AromaticContact CZ2-CZ 3.51Å; W950-F985 HydrophobicContact CZ2-CZ 3.51Å; W950-L999 HydrophobicContact CH2-CD2 4.18Å; W950-L999 HydrophobicContact CH2-CG 4.5Å; W950-L999 HydrophobicContact CZ2-CD2 4.02Å; W950-L999 HydrophobicContact CZ3-CD1 4.3Å
951A96.2Very high92Very high0 Ų011.3 Ų11.30%06%0.056CC..EExtended strand (participates in β ladder)trans-93.393.3166.600000108.7F879 G940 I941 I943 L959 R960 I961F879-A951 HydrophobicContact CE1-CB 3.95Å; F879-A951 HydrophobicContact CZ-CB 4.42Å; G940-A951 CarbonylContact C-O 3.54Å; G940-A951 WeakPolarHBondContact CA-O 3.44Å; I941-A951 PolarHBondContact N-O 3.36Å; I941-A951 WeakPolarHBondContact O-CB 3.46Å; I941-A951 PolarHBondContact O-N 2.98Å; I943-A951 HydrophobicContact CD1-CB 4.25Å; A951-L959 HydrophobicContact CB-CD1 4.3Å; A951-R960 CarbonylContact C-O 3.59Å; A951-R960 WeakPolarHBondContact CA-O 3.48Å; A951-I961 HydrophobicContact CB-CG1 4.1Å
952I95Very high91.9Very high0 Ų011.3 Ų11.30%06%0.056CC..EExtended strand (participates in β ladder)trans-96.1128.4-176-70.7167.5000109.4F932 Y938 W950 R960 Y1005F932-I952 HydrophobicContact CZ-CG1 3.93Å; Y938-I952 HydrophobicContact CD1-CG2 3.38Å; Y938-I952 HydrophobicContact CE1-CG2 4.08Å; Y938-I952 HydrophobicContact CG-CG2 3.81Å; W950-I952 HydrophobicContact CB-CD1 4.06Å; W950-I952 HydrophobicContact CB-CG1 4.13Å; W950-I952 HydrophobicContact CE3-CD1 4.4Å; W950-I952 HydrophobicContact CE3-CG1 4.41Å; I952-R960 PolarHBondContact N-O 2.98Å; I952-R960 PolarHBondContact O-N 3.29Å; I952-Y1005 HydrophobicContact CD1-CD1 4.08Å; I952-Y1005 HydrophobicContact CD1-CG 3.94Å
953M93.6Very high91.6Very high9 Ų911.3 Ų11.34%0.0446%0.057CC..EExtended strand (participates in β ladder)trans-80.7120.7164.3-174.763.370.400109.1L869 H877 A939 I958 L959L869-M953 HydrophobicContact CB-CB 4.18Å; L869-M953 HydrophobicContact CB-CE 3.59Å; L869-M953 HydrophobicContact CB-CG 4.23Å; L869-M953 HydrophobicContact CD1-CE 4.05Å; L869-M953 HydrophobicContact CG-CE 4.48Å; H877-M953 VanDerWaalsContact CE1-CE 3.49Å; H877-M953 WeakPolarHBondContact CE1-CE 3.42Å; A939-M953 WeakPolarHBondContact O-CB 3.41Å; A939-M953 PolarHBondContact O-N 3.13Å; M953-I958 VanDerWaalsContact SD-C 3.57Å; M953-L959 HydrophobicContact CE-CB 4.16Å; M953-L959 HydrophobicContact CE-CD1 4.3Å
954T90.4Very high91.4Very high6 Ų611.3 Ų11.34%0.0376%0.057CC..PPolyproline II helixtrans-74.4166.2-176.767.50000112.1H956 G957 I958 R960 D1006T954-H956 PolarHBondContact O-N 3.46Å; T954-G957 PolarHBondContact O-N 2.88Å; T954-I958 WeakPolarHBondContact CB-O 3.21Å; T954-I958 WeakPolarHBondContact CG2-O 3.2Å; T954-I958 PolarHBondContact N-O 2.93Å; T954-I958 WeakPolarHBondContact OG1-CA 3.48Å; T954-I958 WeakPolarHBondContact OG1-CB 3.48Å; T954-I958 PolarHBondContact OG1-N 2.7Å; T954-I958 PolarHBondContact OG1-O 2.84Å; T954-I958 VanDerWaalsContact OG1-O 3.07Å; T954-R960 HydrophobicContact CG2-CB 4.13Å; T954-R960 HydrophobicContact CG2-CG 3.52Å; T954-D1006 WeakPolarHBondContact CA-OD1 3.49Å; T954-D1006 WeakPolarHBondContact CB-OD1 3.37Å; T954-D1006 VanDerWaalsContact CG2-CA 3.49Å; T954-D1006 HydrophobicContact CG2-CB 4.23Å
955T82.5Confident90.9Very high36 Ų3612.7 Ų12.722%0.2216%0.063CC..THydrogen-bonded Turntrans-53.5-37.5175.455.30000112.7G957 D1006T955-G957 VanDerWaalsContact C-N 3.31Å; T955-G957 PolarHBondContact O-N 3.33Å; T955-D1006 PolarHBondContact N-OD1 3.17Å; T955-D1006 PolarHBondContact OG1-OD2 2.97Å
956H89.2Confident90.7Very high15 Ų1514 Ų147%0.0697%0.07CC..THydrogen-bonded Turntrans-87.610.3178.7-61.9103000113.3Y41 L67 E68 C69 D458 S459 T954Y41-H956 HydrophobicContact CE1-CB 4.44Å; L67-H956 PolarHBondContact O-CD2 3.31Å; L67-H956 VanDerWaalsContact O-CD2 3.3Å; E68-H956 CarbonylContact C-O 3.55Å; C69-H956 WeakPolarHBondContact CB-O 3.44Å; C69-H956 PolarHBondContact N-O 3.07Å; D458-H956 IonicContact OD1-NE2 3.16Å; D458-H956 IonicContact OD2-CD2 3Å; D458-H956 IonicContact OD2-NE2 3.62Å; S459-H956 PolarHBondContact O-CE1 2.99Å; S459-H956 PolarHBondContact O-NE2 2.88Å; T954-H956 PolarHBondContact O-N 3.46Å
957G87.9Confident90.8Very high1 Ų113.8 Ų13.81%0.017%0.068CC..SBendtrans70.935.9178.300000114.1R875 T954 T955R875-G957 PolarHBondContact NH1-O 3.09Å; T954-G957 PolarHBondContact O-N 2.88Å; T955-G957 VanDerWaalsContact C-N 3.31Å; T955-G957 PolarHBondContact O-N 3.33Å
958I91.4Very high90.7Very high21 Ų2114 Ų1411%0.1088%0.079CC..  trans-108.2135.3169.4-56.5175.6000107.8C69 M953 T954 R960C69-I958 HydrophobicContact CB-CD1 3.85Å; C69-I958 HydrophobicContact CB-CG1 3.52Å; M953-I958 VanDerWaalsContact SD-C 3.57Å; T954-I958 WeakPolarHBondContact CB-O 3.21Å; T954-I958 WeakPolarHBondContact CG2-O 3.2Å; T954-I958 PolarHBondContact N-O 2.93Å; T954-I958 WeakPolarHBondContact OG1-CA 3.48Å; T954-I958 WeakPolarHBondContact OG1-CB 3.48Å; T954-I958 PolarHBondContact OG1-N 2.7Å; T954-I958 PolarHBondContact OG1-O 2.84Å; T954-I958 VanDerWaalsContact OG1-O 3.07Å; I958-R960 HydrophobicContact CG2-CG 4.4Å; I958-R960 PolarHBondContact O-N 2.77Å
959L93.5Very high90.4Very high23 Ų2316.1 Ų16.112%0.129%0.089CC..EExtended strand (participates in β ladder)trans-84.2112.8174.6-173.768.1000109.6L869 F879 I888 I910 A951 M953L869-L959 HydrophobicContact CD1-CD1 4.11Å; F879-L959 HydrophobicContact CE1-CD2 4.32Å; F879-L959 HydrophobicContact CZ-CD1 4.3Å; F879-L959 HydrophobicContact CZ-CD2 3.75Å; I888-L959 HydrophobicContact CD1-CD2 4.02Å; I888-L959 HydrophobicContact CG2-CD2 3.82Å; I910-L959 HydrophobicContact CD1-CD2 4.09Å; A951-L959 HydrophobicContact CB-CD1 4.3Å; M953-L959 HydrophobicContact CE-CB 4.16Å; M953-L959 HydrophobicContact CE-CD1 4.3Å
960R93.5Very high90.3Very high26 Ų2615.7 Ų15.710%0.0989%0.087CC..EExtended strand (participates in β ladder)trans-109.2137.9177.6-64-60-174.4-165.35.8110.6E10 A951 I952 T954 I958E10-R960 IonicContact OE1-CZ 2.7Å; E10-R960 IonicContact OE1-NH1 3.38Å; E10-R960 PolarHBondContact OE1-NH1 2.89Å; E10-R960 IonicContact OE1-NH2 3.94Å; E10-R960 IonicContact OE2-CZ 2.75Å; E10-R960 IonicContact OE2-NH1 3.41Å; E10-R960 IonicContact OE2-NH2 2.74Å; E10-R960 PolarHBondContact OE2-NH2 3.36Å; A951-R960 CarbonylContact C-O 3.59Å; A951-R960 WeakPolarHBondContact CA-O 3.48Å; I952-R960 PolarHBondContact N-O 2.98Å; I952-R960 PolarHBondContact O-N 3.29Å; T954-R960 HydrophobicContact CG2-CB 4.13Å; T954-R960 HydrophobicContact CG2-CG 3.52Å; I958-R960 HydrophobicContact CG2-CG 4.4Å; I958-R960 PolarHBondContact O-N 2.77Å
961I94.2Very high90Very high37 Ų3717.6 Ų17.619%0.1910%0.095CC..EExtended strand (participates in β ladder)trans-116.8116.2-178-50.3176.8000110.7L886 I888 N912 T914 Y949 W950 A951L886-I961 HydrophobicContact CD2-CD1 4.43Å; I888-I961 HydrophobicContact CD1-CD1 3.62Å; N912-I961 HydrophobicContact CB-CD1 3.82Å; T914-I961 HydrophobicContact CG2-CB 4.14Å; T914-I961 HydrophobicContact CG2-CD1 3.63Å; T914-I961 HydrophobicContact CG2-CG1 4.5Å; T914-I961 HydrophobicContact CG2-CG2 3.59Å; Y949-I961 HydrophobicContact CD1-CG2 3.88Å; Y949-I961 HydrophobicContact CG-CG2 4.15Å; W950-I961 CarbonylContact O-C 3.52Å; W950-I961 VanDerWaalsContact O-CA 3.25Å; W950-I961 WeakPolarHBondContact O-CA 3.49Å; A951-I961 HydrophobicContact CB-CG1 4.1Å
962H93.8Very high89.7Confident0 Ų017.6 Ų17.60%010%0.095CC..EExtended strand (participates in β ladder)trans-115127.5-174.1-58-79.1000111V510 Y949 W950 Y1005 S1007 P1010V510-H962 HydrophobicContact CG2-CB 3.48Å; V510-H962 VanDerWaalsContact CG2-CB 3.48Å; Y949-H962 CarbonylContact C-O 3.55Å; Y949-H962 VanDerWaalsContact CA-O 3.3Å; Y949-H962 WeakPolarHBondContact CA-O 3.47Å; W950-H962 HydrophobicContact CB-CB 4.32Å; W950-H962 PolarHBondContact N-O 2.73Å; W950-H962 PolarHBondContact O-N 3.46Å; H962-Y1005 PolarHBondContact NE2-O 3.41Å; H962-S1007 PolarHBondContact CE1-O 3.09Å; H962-P1010 WeakPolarHBondContact ND1-CD 3.46Å
963P92Very high89.7Confident1 Ų117.7 Ų17.71%0.00610%0.096CC..EExtended strand (participates in β ladder)trans-68.4154.3174.925.6-29.6000112R508 S509 V510 Y949 H965R508-P963 VanDerWaalsContact O-CD 3.22Å; R508-P963 WeakPolarHBondContact O-CD 3.39Å; R508-P963 WeakPolarHBondContact O-CG 3.36Å; S509-P963 CarbonylContact C-O 3.53Å; S509-P963 WeakPolarHBondContact CA-O 3.37Å; V510-P963 PolarHBondContact N-O 3.07Å; Y949-P963 HydrophobicContact CD1-CB 3.93Å; Y949-P963 HydrophobicContact CE1-CB 3.7Å; Y949-P963 HydrophobicContact CE1-CG 4.48Å; P963-H965 VanDerWaalsContact CB-CE1 3.46Å; P963-H965 WeakPolarHBondContact CB-CE1 3.2Å; P963-H965 WeakPolarHBondContact CB-NE2 3.49Å
964M90.1Very high89.8Confident0 Ų017.7 Ų17.70%010%0.096CC..  trans-132.586.5170.2-176.1-171101.100109V510 P512 F942 P948 W950 V970 Y987V510-M964 HydrophobicContact CB-CB 4.47Å; P512-M964 HydrophobicContact CG-CG 4.23Å; P512-M964 HydrophobicContact CG-SD 3.55Å; P512-M964 VanDerWaalsContact CG-SD 3.55Å; F942-M964 HydrophobicContact CE2-CE 4.16Å; F942-M964 HydrophobicContact CE2-SD 3.91Å; F942-M964 HydrophobicContact CZ-CE 3.96Å; F942-M964 HydrophobicContact CZ-SD 4.32Å; P948-M964 HydrophobicContact CB-CB 4.34Å; P948-M964 VanDerWaalsContact CD-O 3.3Å; P948-M964 WeakPolarHBondContact CD-O 3.38Å; P948-M964 VanDerWaalsContact CG-O 3.22Å; P948-M964 WeakPolarHBondContact CG-O 3.19Å; P948-M964 PolarHBondContact O-N 2.87Å; W950-M964 PolarHBondContact NE1-SD 2.86Å; M964-V970 HydrophobicContact CE-CG2 3.51Å; M964-Y987 HydrophobicContact CE-CD2 4.43Å; M964-Y987 HydrophobicContact CE-CE1 4.35Å; M964-Y987 HydrophobicContact CE-CE2 4.13Å
965H82.9Confident90Very high29 Ų2918.8 Ų18.813%0.13410%0.104CC..  trans-102.6-6.3-171.3-60.1-27.3000113.8P963 D967 G968 E1319P963-H965 VanDerWaalsContact CB-CE1 3.46Å; P963-H965 WeakPolarHBondContact CB-CE1 3.2Å; P963-H965 WeakPolarHBondContact CB-NE2 3.49Å; H965-D967 PolarHBondContact O-N 2.92Å; H965-G968 PolarHBondContact O-N 3.22Å; H965-G968 VanDerWaalsContact O-N 3.14Å; H965-E1319 IonicContact CD2-OE1 3.82Å; H965-E1319 PolarHBondContact CD2-OE1 3.42Å; H965-E1319 IonicContact CD2-OE2 3.49Å; H965-E1319 IonicContact CG-OE1 3.76Å; H965-E1319 IonicContact NE2-OE1 2.7Å; H965-E1319 IonicContact NE2-OE2 2.74Å
966I84.8Confident90.5Very high28 Ų2817.4 Ų17.414%0.14410%0.095CC..THydrogen-bonded Turntrans-64.7-33.5-169.9-164.7158.4000114.7L477 Y481 V488 R511L477-I966 HydrophobicContact CD2-CD1 4.48Å; L477-I966 HydrophobicContact CG-CD1 4.37Å; Y481-I966 HydrophobicContact CD1-CG1 4.14Å; Y481-I966 HydrophobicContact CD2-CD1 3.92Å; Y481-I966 HydrophobicContact CD2-CG1 4.21Å; Y481-I966 HydrophobicContact CE1-CG2 4.4Å; Y481-I966 HydrophobicContact CG-CD1 4.01Å; Y481-I966 HydrophobicContact CG-CG1 3.82Å; V488-I966 HydrophobicContact CG1-CD1 4.5Å; R511-I966 HydrophobicContact CB-CD1 4.37Å; R511-I966 HydrophobicContact CG-CD1 3.89Å
967D87Confident90.5Very high22 Ų2217.6 Ų17.612%0.11810%0.096CC..THydrogen-bonded Turntrans-106.617.9176.8-154.721.5000111.9Y481 H965 Y987 N989 R995Y481-D967 HydrophobicContact CD1-CB 4.46Å; Y481-D967 HydrophobicContact CE1-CB 4.08Å; H965-D967 PolarHBondContact O-N 2.92Å; D967-Y987 HydrophobicContact CB-CE2 4.24Å; D967-Y987 WeakPolarHBondContact OD2-CE2 3.44Å; D967-Y987 PolarHBondContact OD2-OH 2.98Å; D967-N989 PolarHBondContact OD1-ND2 3.49Å; D967-N989 WeakPolarHBondContact OD2-CB 3.45Å; D967-N989 PolarHBondContact OD2-ND2 2.8Å; D967-R995 IonicContact OD1-NH2 3.88Å; D967-R995 PolarHBondContact OD1-NH2 2.63Å; D967-R995 VanDerWaalsContact OD1-NH2 3.16Å; D967-R995 IonicContact OD2-CZ 3.44Å; D967-R995 IonicContact OD2-NE 3.06Å; D967-R995 PolarHBondContact OD2-NE 2.86Å; D967-R995 IonicContact OD2-NH2 3.17Å; D967-R995 PolarHBondContact OD2-NH2 2.93Å
968G84.6Confident90.4Very high32 Ų3217.8 Ų17.833%0.3310%0.096SC..  trans66.4-135.8178.700000114.3P948 H965P948-G968 VanDerWaalsContact CG-O 3.32Å; P948-G968 WeakPolarHBondContact CG-O 3.5Å; H965-G968 PolarHBondContact O-N 3.22Å; H965-G968 VanDerWaalsContact O-N 3.14Å
969Q86.6Confident90Very high44 Ų4418.8 Ų18.821%0.20610%0.104CC..  trans-72.5132.9-177.5173.1-179.610.400111.4I925 G945 N946 N989 N990I925-Q969 HydrophobicContact CD1-CG 4.46Å; G945-Q969 WeakPolarHBondContact O-CA 3.31Å; N946-Q969 PolarHBondContact OD1-NE2 3.29Å; Q969-N989 CarbonylContact O-C 3.55Å; Q969-N989 WeakPolarHBondContact O-CA 3.45Å; Q969-N990 HydrophobicContact CB-CB 4.24Å; Q969-N990 PolarHBondContact O-N 2.82Å; Q969-N990 VanDerWaalsContact O-N 3.09Å
970V91.1Very high89.6Confident0 Ų023.3 Ų23.30%013%0.128CC..EExtended strand (participates in β ladder)trans-108.5126.3173.4177.90000109.9I925 F942 A944 G945 P948 M964 Y987 F988I925-V970 WeakPolarHBondContact CD1-O 3.11Å; F942-V970 HydrophobicContact CE1-CB 4.22Å; F942-V970 HydrophobicContact CE1-CG1 3.69Å; F942-V970 HydrophobicContact CZ-CB 4.21Å; F942-V970 HydrophobicContact CZ-CG1 3.98Å; F942-V970 HydrophobicContact CZ-CG2 4.22Å; A944-V970 HydrophobicContact CB-CG1 4.37Å; G945-V970 PolarHBondContact N-O 2.61Å; G945-V970 PolarHBondContact O-N 2.88Å; P948-V970 HydrophobicContact CB-CB 4.35Å; P948-V970 HydrophobicContact CB-CG2 4.15Å; P948-V970 HydrophobicContact CG-CB 3.99Å; P948-V970 HydrophobicContact CG-CG2 3.62Å; M964-V970 HydrophobicContact CE-CG2 3.51Å; V970-Y987 HydrophobicContact CG1-CD2 4.05Å; V970-Y987 HydrophobicContact CG1-CG 4.36Å; V970-Y987 HydrophobicContact CG2-CD2 3.88Å; V970-Y987 HydrophobicContact CG2-CE2 4.2Å; V970-F988 WeakPolarHBondContact CA-O 3.31Å
971K89.2Confident89.3Confident39 Ų3922.2 Ų22.217%0.1713%0.125CC..EExtended strand (participates in β ladder)trans-83-44.5-178.6-69.8175.2179.1155.90112.4F988 N990 S992K971-F988 HydrophobicContact CB-CB 4.47Å; K971-F988 PolarHBondContact N-O 2.74Å; K971-N990 PolarHBondContact NZ-O 3.47Å; K971-S992 PolarHBondContact NZ-OG 3.19Å
972C90.8Very high88.9Confident0 Ų024.2 Ų24.20%013%0.134CC..EExtended strand (participates in β ladder)trans-156.6162.1-17857.30000111.5W524 V526 F930 Y987 F988W524-C972 PolarHBondContact O-SG 2.92Å; V526-C972 HydrophobicContact CG1-CB 4.33Å; F930-C972 HydrophobicContact CZ-CB 4.11Å; C972-Y987 VanDerWaalsContact O-CA 3.27Å; C972-Y987 WeakPolarHBondContact O-CA 3.33Å; C972-Y987 WeakPolarHBondContact O-CB 3.19Å; C972-F988 PolarHBondContact O-N 3.42Å; C972-F988 VanDerWaalsContact O-N 3.07Å; C972-F988 VanDerWaalsContact SG-CD2 3.53Å
973F94.9Very high88.8Confident2 Ų227 Ų271%0.00914%0.144CC..EExtended strand (participates in β ladder)trans-147.7147.1-171.4172.2-81.1000110.5F930 F932 F942 W950 F985 I986F930-F973 HydrophobicContact CB-CB 4.3Å; F930-F973 HydrophobicContact CB-CD1 3.71Å; F930-F973 HydrophobicContact CB-CG 4.41Å; F930-F973 HydrophobicContact CD1-CB 4.48Å; F930-F973 WeakPolarHBondContact CD1-O 3.41Å; F930-F973 HydrophobicContact CD2-CB 4.1Å; F930-F973 HydrophobicContact CG-CB 4.04Å; F930-F973 HydrophobicContact CG-CD1 4.32Å; F932-F973 HydrophobicContact CB-CE1 3.97Å; F932-F973 HydrophobicContact CB-CZ 4.32Å; F932-F973 HydrophobicContact CD1-CE1 4.35Å; F932-F973 HydrophobicContact CD1-CZ 4.41Å; F942-F973 HydrophobicContact CB-CD1 3.83Å; F942-F973 HydrophobicContact CB-CD2 4.09Å; F942-F973 HydrophobicContact CB-CE1 3.96Å; F942-F973 HydrophobicContact CB-CE2 4.17Å; F942-F973 HydrophobicContact CB-CG 3.92Å; F942-F973 HydrophobicContact CB-CZ 4.13Å; F942-F973 HydrophobicContact CD1-CB 3.44Å; F942-F973 VanDerWaalsContact CD1-CB 3.44Å; F942-F973 HydrophobicContact CD1-CD1 4.23Å; F942-F973 AromaticContact CD1-CD2 3.65Å; F942-F973 HydrophobicContact CD1-CD2 3.65Å; F942-F973 HydrophobicContact CD1-CE2 4.47Å; F942-F973 AromaticContact CD1-CG 3.51Å; F942-F973 HydrophobicContact CD1-CG 3.51Å; F942-F973 AromaticContact CD2-CD2 3.99Å; F942-F973 HydrophobicContact CD2-CD2 3.99Å; F942-F973 HydrophobicContact CD2-CE2 4.1Å; F942-F973 HydrophobicContact CE1-CB 3.83Å; F942-F973 HydrophobicContact CE1-CD2 4.02Å; F942-F973 HydrophobicContact CE1-CG 4.14Å; F942-F973 HydrophobicContact CE2-CD2 4.33Å; F942-F973 HydrophobicContact CG-CB 4.19Å; F942-F973 HydrophobicContact CG-CD1 4.18Å; F942-F973 AromaticContact CG-CD2 3.62Å; F942-F973 HydrophobicContact CG-CD2 3.62Å; F942-F973 AromaticContact CG-CE2 3.98Å; F942-F973 HydrophobicContact CG-CE2 3.98Å; F942-F973 AromaticContact CG-CG 3.73Å; F942-F973 HydrophobicContact CG-CG 3.73Å; F942-F973 HydrophobicContact CG-CZ 4.44Å; F942-F973 HydrophobicContact CZ-CD2 4.34Å; W950-F973 AromaticContact CH2-CE2 3.51Å; W950-F973 HydrophobicContact CH2-CE2 3.51Å; W950-F973 AromaticContact CH2-CZ 3.72Å; W950-F973 HydrophobicContact CH2-CZ 3.72Å; W950-F973 AromaticContact CZ2-CE2 3.88Å; W950-F973 HydrophobicContact CZ2-CE2 3.88Å; W950-F973 HydrophobicContact CZ3-CE2 4.27Å; W950-F973 HydrophobicContact CZ3-CZ 4.1Å; F973-F985 HydrophobicContact CD2-CD2 4.13Å; F973-F985 HydrophobicContact CE2-CB 3.63Å; F973-F985 AromaticContact CE2-CD2 3.46Å; F973-F985 HydrophobicContact CE2-CD2 3.46Å; F973-F985 VanDerWaalsContact CE2-CD2 3.46Å; F973-F985 HydrophobicContact CE2-CE2 4.23Å; F973-F985 AromaticContact CE2-CG 3.69Å; F973-F985 HydrophobicContact CE2-CG 3.69Å; F973-F985 HydrophobicContact CZ-CB 3.65Å; F973-F985 HydrophobicContact CZ-CD2 4.32Å; F973-F985 HydrophobicContact CZ-CG 4.1Å; F973-I986 CarbonylContact C-O 3.54Å; F973-I986 WeakPolarHBondContact CA-O 3.48Å
974T95.2Very high88.9Confident9 Ų927 Ų276%0.05515%0.145CC..EExtended strand (participates in β ladder)trans-149142.2168.5-171.20000111V526 T528 L553 F985 I986V526-T974 HydrophobicContact CB-CG2 4.38Å; V526-T974 HydrophobicContact CG1-CG2 3.79Å; V526-T974 HydrophobicContact CG2-CG2 3.86Å; T528-T974 HydrophobicContact CG2-CG2 3.75Å; T528-T974 PolarHBondContact N-OG1 3.08Å; T528-T974 PolarHBondContact OG1-OG1 2.72Å; L553-T974 HydrophobicContact CD1-CG2 4.39Å; T974-F985 WeakPolarHBondContact O-CA 3.31Å; T974-I986 HydrophobicContact CG2-CB 3.96Å; T974-I986 PolarHBondContact N-O 2.81Å; T974-I986 PolarHBondContact O-N 2.82Å
975P94.5Very high89.1Confident30 Ų3027 Ų2720%0.19515%0.145CC..EExtended strand (participates in β ladder)trans-62.7147.3169.427.8-35.1000110.6T528 Q550 F932 V935T528-P975 WeakPolarHBondContact CG2-O 3.48Å; T528-P975 PolarHBondContact OG1-O 3.43Å; Q550-P975 PolarHBondContact NE2-O 3.16Å; F932-P975 HydrophobicContact CB-CB 4.34Å; V935-P975 HydrophobicContact CG2-CB 4.14Å
976F92.8Very high89.7Confident7 Ų725.6 Ų25.63%0.03114%0.138CC..EExtended strand (participates in β ladder)trans-138.6126-175.8179.4-115000111.9T528 Q550 L566 N978 C981 G984 I986 I996T528-F976 HydrophobicContact CG2-CD2 3.96Å; Q550-F976 VanDerWaalsContact OE1-CA 3.23Å; L566-F976 HydrophobicContact CD1-CD2 4.32Å; L566-F976 HydrophobicContact CD1-CE2 3.77Å; L566-F976 HydrophobicContact CD2-CE2 3.8Å; L566-F976 HydrophobicContact CD2-CZ 4.35Å; L566-F976 HydrophobicContact CG-CE2 4.34Å; F976-N978 HydrophobicContact CE1-CB 3.79Å; F976-N978 HydrophobicContact CE2-CB 4.04Å; F976-N978 HydrophobicContact CZ-CB 3.46Å; F976-N978 VanDerWaalsContact CZ-CB 3.46Å; F976-C981 HydrophobicContact CD1-CB 3.93Å; F976-C981 HydrophobicContact CE1-CB 3.72Å; F976-G984 PolarHBondContact N-O 3.35Å; F976-G984 CarbonylContact O-C 3.57Å; F976-G984 WeakPolarHBondContact O-CA 3.34Å; F976-G984 PolarHBondContact O-N 2.92Å; F976-I986 HydrophobicContact CB-CD1 4.01Å; F976-I986 HydrophobicContact CB-CG1 3.78Å; F976-I986 HydrophobicContact CD1-CD1 4.19Å; F976-I986 HydrophobicContact CD1-CG1 4.23Å; F976-I986 HydrophobicContact CD2-CD1 3.59Å; F976-I986 HydrophobicContact CD2-CG1 4.29Å; F976-I986 HydrophobicContact CE2-CD1 4.03Å; F976-I986 HydrophobicContact CG-CD1 3.67Å; F976-I986 HydrophobicContact CG-CG1 3.86Å; F976-I996 HydrophobicContact CD1-CG2 3.72Å; F976-I996 HydrophobicContact CE1-CD1 4.44Å; F976-I996 HydrophobicContact CE1-CG2 3.75Å
977H89.7Confident90.2Very high18 Ų1824.3 Ų24.38%0.08313%0.131CC..EExtended strand (participates in β ladder)trans-135.1115.9178.4-177.280.9000110.1F546 Q550 Y983F546-H977 AromaticContact CD1-CE1 3.97Å; F546-H977 AromaticContact CD1-NE2 3.21Å; F546-H977 WeakPolarHBondContact CD1-NE2 3.5Å; F546-H977 AromaticContact CE1-CE1 3.6Å; F546-H977 AromaticContact CE1-NE2 3.22Å; F546-H977 WeakPolarHBondContact CE1-NE2 3.44Å; Q550-H977 PolarHBondContact N-O 3.24Å; Q550-H977 VanDerWaalsContact N-O 3.07Å; H977-Y983 AromaticContact CE1-CD1 3.81Å; H977-Y983 AromaticContact CE1-CE1 3.52Å; H977-Y983 AromaticContact CE1-CZ 3.67Å; H977-Y983 AromaticContact ND1-CD1 3.31Å; H977-Y983 VanDerWaalsContact ND1-CD1 3.31Å; H977-Y983 WeakPolarHBondContact ND1-CD1 3.37Å; H977-Y983 AromaticContact ND1-CE1 3.48Å; H977-Y983 WeakPolarHBondContact ND1-CE1 3.21Å; H977-Y983 AromaticContact ND1-CG 3.68Å; H977-Y983 PolarHBondContact ND1-N 3.27Å
978N86.4Confident90.5Very high5 Ų523.3 Ų23.33%0.02713%0.126CC..EExtended strand (participates in β ladder)trans-148.5151.2-176.9179.5-52000108.6T567 F976 N980 C981 E982T567-N978 PolarHBondContact O-ND2 3.03Å; F976-N978 HydrophobicContact CE1-CB 3.79Å; F976-N978 HydrophobicContact CE2-CB 4.04Å; F976-N978 HydrophobicContact CZ-CB 3.46Å; F976-N978 VanDerWaalsContact CZ-CB 3.46Å; N978-N980 PolarHBondContact O-N 3.3Å; N978-N980 PolarHBondContact OD1-N 2.99Å; N978-C981 PolarHBondContact N-O 3.32Å; N978-C981 VanDerWaalsContact N-O 3.16Å; N978-C981 CarbonylContact O-C 3.5Å; N978-C981 WeakPolarHBondContact O-CA 3.42Å; N978-C981 PolarHBondContact O-N 3.36Å; N978-C981 VanDerWaalsContact O-O 3.08Å; N978-E982 PolarHBondContact O-N 3.09Å
979P81.6Confident90.7Very high42 Ų4221.9 Ų21.927%0.27311%0.111SC..THydrogen-bonded Turntrans-42.3-36.2171.9-23.618.5000116.2T544 F546T544-P979 WeakPolarHBondContact O-CG 3.48Å; F546-P979 HydrophobicContact CB-CG 3.97Å
980N84.8Confident90.6Very high118 Ų11823.9 Ų23.963%0.63112%0.123SC*.THydrogen-bonded Turntrans-84.8-11179.7-67.3-31.7000114S568 N978S568-N980 PolarHBondContact O-ND2 2.87Å; N978-N980 PolarHBondContact O-N 3.3Å; N978-N980 PolarHBondContact OD1-N 2.99Å
981C87.7Confident90.4Very high4 Ų429.3 Ų29.33%0.02715%0.152CC..EExtended strand (participates in β ladder)trans-155.278.8-176.41780000108.6L515 F976 N978 Y983 I996L515-C981 HydrophobicContact CD1-CB 3.65Å; L515-C981 WeakPolarHBondContact CD1-SG 3.49Å; F976-C981 HydrophobicContact CD1-CB 3.93Å; F976-C981 HydrophobicContact CE1-CB 3.72Å; N978-C981 PolarHBondContact N-O 3.32Å; N978-C981 VanDerWaalsContact N-O 3.16Å; N978-C981 CarbonylContact O-C 3.5Å; N978-C981 WeakPolarHBondContact O-CA 3.42Å; N978-C981 PolarHBondContact O-N 3.36Å; N978-C981 VanDerWaalsContact O-O 3.08Å; C981-Y983 PolarHBondContact O-N 2.77Å; C981-I996 HydrophobicContact CB-CG2 4.35Å
982E86.9Confident90.3Very high79 Ų7928.2 Ų28.237%0.36915%0.15SC..EExtended strand (participates in β ladder)trans-67.5126.8178.1-63.5179.9-177.500110.2N978 G984 Q998N978-E982 PolarHBondContact O-N 3.09Å; E982-G984 PolarHBondContact O-N 2.87Å; E982-G984 VanDerWaalsContact O-N 3.12Å; E982-Q998 PolarHBondContact O-NE2 2.89Å
983Y90.1Very high90.3Very high58 Ų5829.4 Ų29.423%0.22716%0.157CC..EExtended strand (participates in β ladder)trans57.434.3170.5-55.1-59000113.4N934 V935 S936 H977 C981N934-Y983 HydrophobicContact CB-CD1 4.35Å; N934-Y983 VanDerWaalsContact ND2-CD1 3.33Å; N934-Y983 WeakPolarHBondContact ND2-CD1 3.45Å; N934-Y983 WeakPolarHBondContact ND2-CE1 3.4Å; N934-Y983 VanDerWaalsContact O-CB 3.3Å; N934-Y983 WeakPolarHBondContact O-CB 3.42Å; N934-Y983 WeakPolarHBondContact O-CD1 3.31Å; V935-Y983 CarbonylContact C-O 3.58Å; V935-Y983 WeakPolarHBondContact CA-O 3.3Å; S936-Y983 PolarHBondContact N-O 2.69Å; H977-Y983 AromaticContact CE1-CD1 3.81Å; H977-Y983 AromaticContact CE1-CE1 3.52Å; H977-Y983 AromaticContact CE1-CZ 3.67Å; H977-Y983 AromaticContact ND1-CD1 3.31Å; H977-Y983 VanDerWaalsContact ND1-CD1 3.31Å; H977-Y983 WeakPolarHBondContact ND1-CD1 3.37Å; H977-Y983 AromaticContact ND1-CE1 3.48Å; H977-Y983 WeakPolarHBondContact ND1-CE1 3.21Å; H977-Y983 AromaticContact ND1-CG 3.68Å; H977-Y983 PolarHBondContact ND1-N 3.27Å; C981-Y983 PolarHBondContact O-N 2.77Å
984G94.1Very high90.3Very high1 Ų129.5 Ų29.51%0.0116%0.158CC..EExtended strand (participates in β ladder)trans-93.7-156.7175.900000113.3F976 E982 C997F976-G984 PolarHBondContact N-O 3.35Å; F976-G984 CarbonylContact O-C 3.57Å; F976-G984 WeakPolarHBondContact O-CA 3.34Å; F976-G984 PolarHBondContact O-N 2.92Å; E982-G984 PolarHBondContact O-N 2.87Å; E982-G984 VanDerWaalsContact O-N 3.12Å; G984-C997 CarbonylContact C-O 3.59Å; G984-C997 VanDerWaalsContact CA-O 3.22Å; G984-C997 WeakPolarHBondContact CA-O 3.26Å
985F96Very high90.2Very high0 Ų030 Ų300%016%0.159CC..EExtended strand (participates in β ladder)trans-158.2161.9-178.557.4-85.5000111.8P512 V935 W950 F973 T974 Y987 C997 L999P512-F985 HydrophobicContact CB-CE2 4.12Å; P512-F985 HydrophobicContact CB-CZ 3.65Å; P512-F985 HydrophobicContact CG-CE2 4.17Å; P512-F985 HydrophobicContact CG-CZ 3.85Å; V935-F985 HydrophobicContact CG1-CD1 3.62Å; V935-F985 HydrophobicContact CG1-CE1 4.2Å; W950-F985 AromaticContact CH2-CD1 3.84Å; W950-F985 HydrophobicContact CH2-CD1 3.84Å; W950-F985 HydrophobicContact CH2-CD2 4.15Å; W950-F985 AromaticContact CH2-CE1 3.75Å; W950-F985 HydrophobicContact CH2-CE1 3.75Å; W950-F985 HydrophobicContact CH2-CE2 4.06Å; W950-F985 HydrophobicContact CH2-CG 4.02Å; W950-F985 AromaticContact CH2-CZ 3.83Å; W950-F985 HydrophobicContact CH2-CZ 3.83Å; W950-F985 HydrophobicContact CZ2-CD1 4.37Å; W950-F985 HydrophobicContact CZ2-CD2 4.17Å; W950-F985 AromaticContact CZ2-CE1 3.92Å; W950-F985 HydrophobicContact CZ2-CE1 3.92Å; W950-F985 AromaticContact CZ2-CE2 3.67Å; W950-F985 HydrophobicContact CZ2-CE2 3.67Å; W950-F985 HydrophobicContact CZ2-CG 4.46Å; W950-F985 AromaticContact CZ2-CZ 3.51Å; W950-F985 HydrophobicContact CZ2-CZ 3.51Å; F973-F985 HydrophobicContact CD2-CD2 4.13Å; F973-F985 HydrophobicContact CE2-CB 3.63Å; F973-F985 AromaticContact CE2-CD2 3.46Å; F973-F985 HydrophobicContact CE2-CD2 3.46Å; F973-F985 VanDerWaalsContact CE2-CD2 3.46Å; F973-F985 HydrophobicContact CE2-CE2 4.23Å; F973-F985 AromaticContact CE2-CG 3.69Å; F973-F985 HydrophobicContact CE2-CG 3.69Å; F973-F985 HydrophobicContact CZ-CB 3.65Å; F973-F985 HydrophobicContact CZ-CD2 4.32Å; F973-F985 HydrophobicContact CZ-CG 4.1Å; T974-F985 WeakPolarHBondContact O-CA 3.31Å; F985-Y987 AromaticContact CD2-CD1 3.97Å; F985-Y987 HydrophobicContact CD2-CD1 3.97Å; F985-Y987 AromaticContact CE2-CD1 3.77Å; F985-Y987 HydrophobicContact CE2-CD1 3.77Å; F985-Y987 AromaticContact CE2-CE1 3.97Å; F985-Y987 HydrophobicContact CE2-CE1 3.97Å; F985-C997 WeakPolarHBondContact CD1-O 2.97Å; F985-C997 HydrophobicContact CD2-CB 4.19Å; F985-C997 HydrophobicContact CE1-CB 4.13Å; F985-C997 HydrophobicContact CE2-CB 3.66Å; F985-C997 HydrophobicContact CZ-CB 3.65Å; F985-C997 PolarHBondContact N-O 3.04Å; F985-C997 PolarHBondContact O-N 2.97Å; F985-L999 HydrophobicContact CE1-CD2 3.88Å; F985-L999 HydrophobicContact CE1-CG 3.92Å; F985-L999 HydrophobicContact CZ-CD2 4.12Å
986I95.7Very high90.2Very high0 Ų028.9 Ų28.90%015%0.151CC..EExtended strand (participates in β ladder)trans-123.3137.4176.8-61.1173.7000109.3L553 F973 T974 F976 M994 R995 I996L553-I986 HydrophobicContact CD1-CD1 3.97Å; L553-I986 HydrophobicContact CD2-CD1 3.91Å; F973-I986 CarbonylContact C-O 3.54Å; F973-I986 WeakPolarHBondContact CA-O 3.48Å; T974-I986 HydrophobicContact CG2-CB 3.96Å; T974-I986 PolarHBondContact N-O 2.81Å; T974-I986 PolarHBondContact O-N 2.82Å; F976-I986 HydrophobicContact CB-CD1 4.01Å; F976-I986 HydrophobicContact CB-CG1 3.78Å; F976-I986 HydrophobicContact CD1-CD1 4.19Å; F976-I986 HydrophobicContact CD1-CG1 4.23Å; F976-I986 HydrophobicContact CD2-CD1 3.59Å; F976-I986 HydrophobicContact CD2-CG1 4.29Å; F976-I986 HydrophobicContact CE2-CD1 4.03Å; F976-I986 HydrophobicContact CG-CD1 3.67Å; F976-I986 HydrophobicContact CG-CG1 3.86Å; I986-M994 HydrophobicContact CG2-CG 3.6Å; I986-M994 HydrophobicContact CG2-SD 4.19Å; I986-R995 VanDerWaalsContact CA-O 3.24Å; I986-R995 WeakPolarHBondContact CA-O 3.47Å; I986-I996 HydrophobicContact CD1-CD1 4.39Å; I986-I996 HydrophobicContact CD1-CG1 4.31Å; I986-I996 HydrophobicContact CG1-CB 4.45Å; I986-I996 HydrophobicContact CG1-CG1 4.05Å; I986-I996 HydrophobicContact CG1-CG2 4.32Å
987Y95Very high90.2Very high0 Ų028.6 Ų28.60%015%0.15CC..EExtended strand (participates in β ladder)trans-142161.9170.971.2-89.7000112.8P512 M964 D967 V970 C972 F985 R995 C997P512-Y987 HydrophobicContact CG-CE1 4.47Å; M964-Y987 HydrophobicContact CE-CD2 4.43Å; M964-Y987 HydrophobicContact CE-CE1 4.35Å; M964-Y987 HydrophobicContact CE-CE2 4.13Å; D967-Y987 HydrophobicContact CB-CE2 4.24Å; D967-Y987 WeakPolarHBondContact OD2-CE2 3.44Å; D967-Y987 PolarHBondContact OD2-OH 2.98Å; V970-Y987 HydrophobicContact CG1-CD2 4.05Å; V970-Y987 HydrophobicContact CG1-CG 4.36Å; V970-Y987 HydrophobicContact CG2-CD2 3.88Å; V970-Y987 HydrophobicContact CG2-CE2 4.2Å; C972-Y987 VanDerWaalsContact O-CA 3.27Å; C972-Y987 WeakPolarHBondContact O-CA 3.33Å; C972-Y987 WeakPolarHBondContact O-CB 3.19Å; F985-Y987 AromaticContact CD2-CD1 3.97Å; F985-Y987 HydrophobicContact CD2-CD1 3.97Å; F985-Y987 AromaticContact CE2-CD1 3.77Å; F985-Y987 HydrophobicContact CE2-CD1 3.77Å; F985-Y987 AromaticContact CE2-CE1 3.97Å; F985-Y987 HydrophobicContact CE2-CE1 3.97Å; Y987-R995 HydrophobicContact CD1-CB 3.94Å; Y987-R995 HydrophobicContact CD2-CB 4.3Å; Y987-R995 HydrophobicContact CD2-CG 4.24Å; Y987-R995 HydrophobicContact CE1-CB 3.61Å; Y987-R995 HydrophobicContact CE1-CG 4.15Å; Y987-R995 HydrophobicContact CE2-CB 3.99Å; Y987-R995 HydrophobicContact CE2-CG 3.66Å; Y987-R995 HydrophobicContact CG-CB 4.29Å; Y987-R995 PolarHBondContact N-O 2.81Å; Y987-R995 PolarHBondContact O-N 2.76Å; Y987-C997 HydrophobicContact CE1-CB 4.48Å
988F93.2Very high90.4Very high1 Ų129.7 Ų29.70%0.00416%0.155CC..EExtended strand (participates in β ladder)trans-113.9128.6174.3-77.9-90.4000111.4I520 A523 V526 I555 V970 K971 C972 C993 M994I520-F988 HydrophobicContact CB-CE1 3.99Å; I520-F988 HydrophobicContact CB-CZ 4.47Å; I520-F988 HydrophobicContact CD1-CE1 4.39Å; I520-F988 HydrophobicContact CD1-CZ 4.17Å; I520-F988 HydrophobicContact CG1-CE1 4.48Å; A523-F988 HydrophobicContact CB-CD1 3.71Å; A523-F988 HydrophobicContact CB-CE1 3.51Å; A523-F988 HydrophobicContact CB-CE2 4.39Å; A523-F988 HydrophobicContact CB-CG 4.24Å; A523-F988 HydrophobicContact CB-CZ 3.87Å; V526-F988 HydrophobicContact CB-CD2 4.19Å; V526-F988 HydrophobicContact CB-CE2 3.87Å; V526-F988 HydrophobicContact CG1-CD2 4.14Å; V526-F988 HydrophobicContact CG1-CE2 4.25Å; V526-F988 HydrophobicContact CG2-CE2 4.07Å; I555-F988 HydrophobicContact CD1-CZ 4.14Å; I555-F988 HydrophobicContact CG1-CZ 4.44Å; I555-F988 HydrophobicContact CG2-CZ 4.25Å; V970-F988 WeakPolarHBondContact CA-O 3.31Å; K971-F988 HydrophobicContact CB-CB 4.47Å; K971-F988 PolarHBondContact N-O 2.74Å; C972-F988 PolarHBondContact O-N 3.42Å; C972-F988 VanDerWaalsContact O-N 3.07Å; C972-F988 VanDerWaalsContact SG-CD2 3.53Å; F988-C993 WeakPolarHBondContact CA-O 3.43Å; F988-M994 HydrophobicContact CD1-CB 4.14Å; F988-M994 HydrophobicContact CE1-CB 3.45Å; F988-M994 VanDerWaalsContact CE1-CB 3.45Å; F988-M994 HydrophobicContact CE1-CG 3.97Å; F988-M994 HydrophobicContact CE2-CB 4.29Å; F988-M994 HydrophobicContact CE2-CG 3.88Å; F988-M994 HydrophobicContact CE2-SD 4.44Å; F988-M994 HydrophobicContact CZ-CB 3.55Å; F988-M994 HydrophobicContact CZ-CG 3.52Å; F988-M994 HydrophobicContact CZ-SD 3.95Å
989N88.4Confident90.8Very high2 Ų229.6 Ų29.61%0.01116%0.155CC..EExtended strand (participates in β ladder)trans-87.6-177.9175.876.7-1.5000112.3D967 Q969 D991 S992 C993D967-N989 PolarHBondContact OD1-ND2 3.49Å; D967-N989 WeakPolarHBondContact OD2-CB 3.45Å; D967-N989 PolarHBondContact OD2-ND2 2.8Å; Q969-N989 CarbonylContact O-C 3.55Å; Q969-N989 WeakPolarHBondContact O-CA 3.45Å; N989-D991 VanDerWaalsContact C-N 3.26Å; N989-D991 PolarHBondContact O-N 2.9Å; N989-D991 PolarHBondContact OD1-N 3.26Å; N989-D991 VanDerWaalsContact OD1-N 3.08Å; N989-S992 PolarHBondContact O-N 2.7Å; N989-S992 PolarHBondContact OD1-N 3.46Å; N989-C993 PolarHBondContact N-O 3.02Å; N989-C993 WeakPolarHBondContact OD1-CB 3.42Å; N989-C993 PolarHBondContact OD1-N 3.04Å
990N84Confident91.2Very high86 Ų8627.9 Ų27.946%0.4614%0.143SC..THydrogen-bonded Turntrans-64.3-30.6180-164.638000113.7Q969 K971 S992Q969-N990 HydrophobicContact CB-CB 4.24Å; Q969-N990 PolarHBondContact O-N 2.82Å; Q969-N990 VanDerWaalsContact O-N 3.09Å; K971-N990 PolarHBondContact NZ-O 3.47Å; N990-S992 PolarHBondContact O-N 2.88Å
991D87Confident91.3Very high114 Ų11427.8 Ų27.861%0.6115%0.152SC*.THydrogen-bonded Turntrans-774.7179-58.7-32000113L519 N989 C993L519-D991 VanDerWaalsContact CD1-O 3.28Å; L519-D991 WeakPolarHBondContact CD1-O 3.32Å; N989-D991 VanDerWaalsContact C-N 3.26Å; N989-D991 PolarHBondContact O-N 2.9Å; N989-D991 PolarHBondContact OD1-N 3.26Å; N989-D991 VanDerWaalsContact OD1-N 3.08Å; D991-C993 PolarHBondContact O-N 3.33Å
992S87.8Confident91.3Very high17 Ų1730.7 Ų30.712%0.11917%0.165CC..  trans64.225.5-176.5-750000113.4I520 K971 N989 N990I520-S992 CarbonylContact C-O 3.56Å; I520-S992 PolarHBondContact N-O 3.23Å; K971-S992 PolarHBondContact NZ-OG 3.19Å; N989-S992 PolarHBondContact O-N 2.7Å; N989-S992 PolarHBondContact OD1-N 3.46Å; N990-S992 PolarHBondContact O-N 2.88Å
993C91.3Very high91.5Very high24 Ų2427.2 Ų27.216%0.16215%0.149CC..EExtended strand (participates in β ladder)trans-83.6124.6168.9-64.20000110T518 F988 N989 D991T518-C993 CarbonylContact O-C 3.54Å; T518-C993 WeakPolarHBondContact O-CA 3.48Å; F988-C993 WeakPolarHBondContact CA-O 3.43Å; N989-C993 PolarHBondContact N-O 3.02Å; N989-C993 WeakPolarHBondContact OD1-CB 3.42Å; N989-C993 PolarHBondContact OD1-N 3.04Å; D991-C993 PolarHBondContact O-N 3.33Å
994M93.6Very high91.6Very high5 Ų525.7 Ų25.73%0.02515%0.147CC..EExtended strand (participates in β ladder)trans-71.7133.5162.7-164.8177.984.600108.7S517 T518 I520 L553 I555 I986 F988 I996S517-M994 CarbonylContact C-O 3.58Å; S517-M994 WeakPolarHBondContact CA-O 3.49Å; S517-M994 PolarHBondContact OG-O 3.47Å; T518-M994 PolarHBondContact N-O 2.84Å; T518-M994 WeakPolarHBondContact O-CB 3.47Å; T518-M994 PolarHBondContact O-N 2.91Å; T518-M994 WeakPolarHBondContact OG1-CB 3.15Å; T518-M994 WeakPolarHBondContact OG1-CE 3.09Å; I520-M994 HydrophobicContact CD1-CB 4.29Å; I520-M994 HydrophobicContact CD1-SD 3.83Å; L553-M994 HydrophobicContact CD2-SD 4.18Å; I555-M994 HydrophobicContact CD1-SD 4.23Å; I986-M994 HydrophobicContact CG2-CG 3.6Å; I986-M994 HydrophobicContact CG2-SD 4.19Å; F988-M994 HydrophobicContact CD1-CB 4.14Å; F988-M994 HydrophobicContact CE1-CB 3.45Å; F988-M994 VanDerWaalsContact CE1-CB 3.45Å; F988-M994 HydrophobicContact CE1-CG 3.97Å; F988-M994 HydrophobicContact CE2-CB 4.29Å; F988-M994 HydrophobicContact CE2-CG 3.88Å; F988-M994 HydrophobicContact CE2-SD 4.44Å; F988-M994 HydrophobicContact CZ-CB 3.55Å; F988-M994 HydrophobicContact CZ-CG 3.52Å; F988-M994 HydrophobicContact CZ-SD 3.95Å; M994-I996 HydrophobicContact CE-CD1 4.02Å; M994-I996 HydrophobicContact CE-CG1 4.05Å
995R93.3Very high91.6Very high18 Ų1825.7 Ų25.77%0.06815%0.146CC..EExtended strand (participates in β ladder)trans-122.5124.4177.2-58.1-68.5-161.9179.211.5108.4S480 L514 S517 D967 I986 Y987S480-R995 PolarHBondContact OG-NH1 3.01Å; L514-R995 HydrophobicContact CD1-CB 3.97Å; L514-R995 HydrophobicContact CD1-CG 4.38Å; S517-R995 WeakPolarHBondContact OG-CD 3.42Å; S517-R995 PolarHBondContact OG-NH1 2.85Å; D967-R995 IonicContact OD1-NH2 3.88Å; D967-R995 PolarHBondContact OD1-NH2 2.63Å; D967-R995 VanDerWaalsContact OD1-NH2 3.16Å; D967-R995 IonicContact OD2-CZ 3.44Å; D967-R995 IonicContact OD2-NE 3.06Å; D967-R995 PolarHBondContact OD2-NE 2.86Å; D967-R995 IonicContact OD2-NH2 3.17Å; D967-R995 PolarHBondContact OD2-NH2 2.93Å; I986-R995 VanDerWaalsContact CA-O 3.24Å; I986-R995 WeakPolarHBondContact CA-O 3.47Å; Y987-R995 HydrophobicContact CD1-CB 3.94Å; Y987-R995 HydrophobicContact CD2-CB 4.3Å; Y987-R995 HydrophobicContact CD2-CG 4.24Å; Y987-R995 HydrophobicContact CE1-CB 3.61Å; Y987-R995 HydrophobicContact CE1-CG 4.15Å; Y987-R995 HydrophobicContact CE2-CB 3.99Å; Y987-R995 HydrophobicContact CE2-CG 3.66Å; Y987-R995 HydrophobicContact CG-CB 4.29Å; Y987-R995 PolarHBondContact N-O 2.81Å; Y987-R995 PolarHBondContact O-N 2.76Å
996I94.4Very high91.3Very high8 Ų826.9 Ų26.94%0.04115%0.153CC..EExtended strand (participates in β ladder)trans-101.4121.3169.1-49.5-168.4000107.5L515 T516 I570 F976 C981 I986 M994L515-I996 WeakPolarHBondContact CB-O 3.44Å; L515-I996 PolarHBondContact N-O 3.13Å; T516-I996 HydrophobicContact CG2-CB 3.76Å; T516-I996 HydrophobicContact CG2-CD1 3.5Å; T516-I996 VanDerWaalsContact CG2-CD1 3.5Å; T516-I996 HydrophobicContact CG2-CG1 3.59Å; T516-I996 PolarHBondContact N-O 3.27Å; T516-I996 PolarHBondContact O-N 3.31Å; I570-I996 HydrophobicContact CD1-CD1 3.67Å; F976-I996 HydrophobicContact CD1-CG2 3.72Å; F976-I996 HydrophobicContact CE1-CD1 4.44Å; F976-I996 HydrophobicContact CE1-CG2 3.75Å; C981-I996 HydrophobicContact CB-CG2 4.35Å; I986-I996 HydrophobicContact CD1-CD1 4.39Å; I986-I996 HydrophobicContact CD1-CG1 4.31Å; I986-I996 HydrophobicContact CG1-CB 4.45Å; I986-I996 HydrophobicContact CG1-CG1 4.05Å; I986-I996 HydrophobicContact CG1-CG2 4.32Å; M994-I996 HydrophobicContact CE-CD1 4.02Å; M994-I996 HydrophobicContact CE-CG1 4.05Å
997C94.4Very high91.1Very high0 Ų027.4 Ų27.40%016%0.156CC..EExtended strand (participates in β ladder)trans-139163.1-171-59.10000113.3P512 Q513 G984 F985 Y987P512-C997 HydrophobicContact CB-CB 3.72Å; Q513-C997 WeakPolarHBondContact O-CA 3.31Å; Q513-C997 VanDerWaalsContact O-CB 3.32Å; Q513-C997 WeakPolarHBondContact O-CB 3.41Å; G984-C997 CarbonylContact C-O 3.59Å; G984-C997 VanDerWaalsContact CA-O 3.22Å; G984-C997 WeakPolarHBondContact CA-O 3.26Å; F985-C997 WeakPolarHBondContact CD1-O 2.97Å; F985-C997 HydrophobicContact CD2-CB 4.19Å; F985-C997 HydrophobicContact CE1-CB 4.13Å; F985-C997 HydrophobicContact CE2-CB 3.66Å; F985-C997 HydrophobicContact CZ-CB 3.65Å; F985-C997 PolarHBondContact N-O 3.04Å; F985-C997 PolarHBondContact O-N 2.97Å; Y987-C997 HydrophobicContact CE1-CB 4.48Å
998Q93.7Very high90.8Very high42 Ų4228.6 Ų28.620%0.19616%0.164CC..EExtended strand (participates in β ladder)trans-124.3158.3165.3-74.1172.9-35.500110.1Q513 L515 E982Q513-Q998 PolarHBondContact N-O 3.12Å; Q513-Q998 PolarHBondContact O-N 3.35Å; L515-Q998 HydrophobicContact CD1-CG 4.24Å; E982-Q998 PolarHBondContact O-NE2 2.89Å
999L93.2Very high90.7Very high3 Ų328.6 Ų28.62%0.01616%0.164CC..  trans-79.2132.3165.7-62.6177.5000108.3V510 V935 S936 W950 F985 S1001 Y1005V510-L999 HydrophobicContact CG1-CD2 3.58Å; V935-L999 HydrophobicContact CG1-CD1 4.06Å; V935-L999 HydrophobicContact CG1-CG 4.13Å; S936-L999 WeakPolarHBondContact OG-CB 3.31Å; S936-L999 PolarHBondContact OG-N 2.76Å; S936-L999 PolarHBondContact OG-O 3.48Å; W950-L999 HydrophobicContact CH2-CD2 4.18Å; W950-L999 HydrophobicContact CH2-CG 4.5Å; W950-L999 HydrophobicContact CZ2-CD2 4.02Å; W950-L999 HydrophobicContact CZ3-CD1 4.3Å; F985-L999 HydrophobicContact CE1-CD2 3.88Å; F985-L999 HydrophobicContact CE1-CG 3.92Å; F985-L999 HydrophobicContact CZ-CD2 4.12Å; L999-S1001 PolarHBondContact O-N 3.33Å; L999-Y1005 HydrophobicContact CB-CE2 4.12Å; L999-Y1005 HydrophobicContact CD1-CE2 4.29Å
1000P90.5Very high90.9Very high5 Ų528.5 Ų28.53%0.03216%0.164CC..  trans-51.7127.2175.6-28.933.5000112.3R511 H1002 F1003 Y1005R511-P1000 WeakPolarHBondContact O-CD 3.35Å; R511-P1000 WeakPolarHBondContact O-CG 3.46Å; P1000-H1002 PolarHBondContact O-N 3.2Å; P1000-F1003 HydrophobicContact CB-CD2 4.01Å; P1000-F1003 PolarHBondContact O-N 3.33Å; P1000-Y1005 WeakPolarHBondContact CD-OH 3.23Å
1001S86.4Confident91.4Very high116 Ų11624.6 Ų24.681%0.81114%0.144SC*.THydrogen-bonded Turntrans-73.5-23.2-173.455.30000114.4L999L999-S1001 PolarHBondContact O-N 3.33Å
1002H88.2Confident91.7Very high65 Ų6520.6 Ų20.630%0.30112%0.121SC..THydrogen-bonded Turntrans-83.8-10.7179.757.5-89.1000113.1D476 P1000 H1012D476-H1002 IonicContact OD2-CE1 3.5Å; D476-H1002 PolarHBondContact OD2-CE1 3.13Å; D476-H1002 IonicContact OD2-NE2 3.7Å; D476-H1002 PolarHBondContact OD2-NE2 2.94Å; P1000-H1002 PolarHBondContact O-N 3.2Å; H1002-H1012 AromaticContact CD2-CG 3.89Å; H1002-H1012 AromaticContact CD2-ND1 3.91Å; H1002-H1012 PolarHBondContact O-CD2 3.2Å
1003F91.9Very high92Very high7 Ų721.5 Ų21.53%0.03112%0.123CC..  trans-92.2132.2174.1-83.1-87.6000111.4V505 Q507 P1000 Y1005 P1010 H1012V505-F1003 HydrophobicContact CG1-CE1 4.5Å; V505-F1003 HydrophobicContact CG1-CZ 4.2Å; Q507-F1003 VanDerWaalsContact CD-CZ 3.42Å; Q507-F1003 HydrophobicContact CG-CE1 3.8Å; Q507-F1003 HydrophobicContact CG-CZ 3.93Å; P1000-F1003 HydrophobicContact CB-CD2 4.01Å; P1000-F1003 PolarHBondContact O-N 3.33Å; F1003-Y1005 HydrophobicContact CB-CE2 4.21Å; F1003-Y1005 WeakPolarHBondContact O-CE2 3.31Å; F1003-P1010 HydrophobicContact CD1-CB 4.16Å; F1003-H1012 HydrophobicContact CD1-CB 3.8Å; F1003-H1012 HydrophobicContact CD2-CB 4.37Å; F1003-H1012 HydrophobicContact CE1-CB 3.68Å; F1003-H1012 HydrophobicContact CE2-CB 4.28Å; F1003-H1012 HydrophobicContact CG-CB 4.15Å; F1003-H1012 HydrophobicContact CZ-CB 3.92Å
1004S92.2Very high92.2Very high26 Ų2621.2 Ų21.218%0.18212%0.121CC..BIsolated β-bridgetrans-89.8135.3165.4177.90000110.2D1006 P1010 A1011S1004-D1006 WeakPolarHBondContact OG-CB 3.24Å; S1004-D1006 PolarHBondContact OG-N 3.46Å; S1004-P1010 WeakPolarHBondContact O-CA 3.24Å; S1004-A1011 PolarHBondContact N-O 2.7Å; S1004-A1011 PolarHBondContact O-N 3.49Å
1005Y93.5Very high92.2Very high1 Ų126 Ų260%0.00415%0.146CC..  trans-101.514.7176.8-60.7-87000112.3V510 Y938 I952 H962 L999 P1000 F1003 P1010V510-Y1005 HydrophobicContact CB-CE1 4.49Å; V510-Y1005 HydrophobicContact CG1-CE1 3.99Å; V510-Y1005 HydrophobicContact CG2-CD1 4.29Å; V510-Y1005 HydrophobicContact CG2-CE1 3.93Å; Y938-Y1005 HydrophobicContact CD2-CD2 4.35Å; Y938-Y1005 AromaticContact CE2-CD2 3.69Å; Y938-Y1005 HydrophobicContact CE2-CD2 3.69Å; Y938-Y1005 HydrophobicContact CE2-CE2 4.47Å; Y938-Y1005 AromaticContact CZ-CD2 3.99Å; Y938-Y1005 PolarHBondContact OH-N 3.07Å; I952-Y1005 HydrophobicContact CD1-CD1 4.08Å; I952-Y1005 HydrophobicContact CD1-CG 3.94Å; H962-Y1005 PolarHBondContact NE2-O 3.41Å; L999-Y1005 HydrophobicContact CB-CE2 4.12Å; L999-Y1005 HydrophobicContact CD1-CE2 4.29Å; P1000-Y1005 WeakPolarHBondContact CD-OH 3.23Å; F1003-Y1005 HydrophobicContact CB-CE2 4.21Å; F1003-Y1005 WeakPolarHBondContact O-CE2 3.31Å; Y1005-P1010 HydrophobicContact CD1-CB 3.86Å; Y1005-P1010 HydrophobicContact CD1-CG 3.76Å; Y1005-P1010 HydrophobicContact CE1-CB 3.75Å; Y1005-P1010 HydrophobicContact CE1-CG 3.8Å
1006D90.2Very high92.3Very high25 Ų2527.1 Ų27.113%0.13415%0.153CC..SBendtrans-77.4-23-173.7-72-16.1000114.3L461 T954 T955 S1004L461-D1006 HydrophobicContact CD1-CB 4.17Å; T954-D1006 WeakPolarHBondContact CA-OD1 3.49Å; T954-D1006 WeakPolarHBondContact CB-OD1 3.37Å; T954-D1006 VanDerWaalsContact CG2-CA 3.49Å; T954-D1006 HydrophobicContact CG2-CB 4.23Å; T955-D1006 PolarHBondContact N-OD1 3.17Å; T955-D1006 PolarHBondContact OG1-OD2 2.97Å; S1004-D1006 WeakPolarHBondContact OG-CB 3.24Å; S1004-D1006 PolarHBondContact OG-N 3.46Å
1007S90.9Very high92.2Very high11 Ų1134.7 Ų34.78%0.07719%0.186CC..SBendtrans-95.1180175.979.40000112.2F463 H962 C1009F463-S1007 WeakPolarHBondContact CZ-OG 3.3Å; H962-S1007 PolarHBondContact CE1-O 3.09Å; S1007-C1009 PolarHBondContact O-N 3.21Å; S1007-C1009 PolarHBondContact OG-O 3.05Å
1008S88.9Confident92.2Very high24 Ų2435.6 Ų35.617%0.16819%0.192CC..SBendtrans-73.5-16-177.5-37.10000113.1D9D9-S1008 WeakPolarHBondContact OD1-CB 2.94Å; D9-S1008 PolarHBondContact OD1-N 2.91Å; D9-S1008 PolarHBondContact OD1-OG 3.24Å
1009C90.7Very high92.4Very high1 Ų133.7 Ų33.71%0.00718%0.183CC..SBendtrans-124135.1176.6-70.40000107.7L506 Q507 S1007 A1011L506-C1009 HydrophobicContact CD2-CB 4.48Å; Q507-C1009 WeakPolarHBondContact O-CB 3.35Å; S1007-C1009 PolarHBondContact O-N 3.21Å; S1007-C1009 PolarHBondContact OG-O 3.05Å; C1009-A1011 PolarHBondContact O-N 3.44Å
1010P93.4Very high92.6Very high0 Ų033.6 Ų33.60%018%0.183CC..  trans-56130.5172.3-24.934.1000110.5Q507 V510 H962 F1003 S1004 Y1005Q507-P1010 HydrophobicContact CB-CB 4.25Å; Q507-P1010 PolarHBondContact N-O 3.2Å; Q507-P1010 WeakPolarHBondContact O-CD 3.39Å; V510-P1010 HydrophobicContact CG2-CG 4.2Å; H962-P1010 WeakPolarHBondContact ND1-CD 3.46Å; F1003-P1010 HydrophobicContact CD1-CB 4.16Å; S1004-P1010 WeakPolarHBondContact O-CA 3.24Å; Y1005-P1010 HydrophobicContact CD1-CB 3.86Å; Y1005-P1010 HydrophobicContact CD1-CG 3.76Å; Y1005-P1010 HydrophobicContact CE1-CB 3.75Å; Y1005-P1010 HydrophobicContact CE1-CG 3.8Å
1011A93.8Very high92.9Very high4 Ų434.6 Ų34.63%0.03319%0.187CC..EExtended strand (participates in β ladder)trans-130.8130.9-168.600000111.9F463 L504 V505 L506 S1004 C1009F463-A1011 HydrophobicContact CE1-CB 4.04Å; F463-A1011 HydrophobicContact CZ-CB 3.67Å; L504-A1011 HydrophobicContact CD1-CB 4.06Å; V505-A1011 WeakPolarHBondContact O-CA 3.5Å; L506-A1011 HydrophobicContact CD2-CB 3.68Å; S1004-A1011 PolarHBondContact N-O 2.7Å; S1004-A1011 PolarHBondContact O-N 3.49Å; C1009-A1011 PolarHBondContact O-N 3.44Å
1012H94.1Very high93.5Very high30 Ų3031 Ų3114%0.13916%0.157CC..EExtended strand (participates in β ladder)trans-116.4115.3170.2172.9-134.7000109V505 H1002 F1003 V1014 W1083V505-H1012 HydrophobicContact CB-CB 4.21Å; V505-H1012 PolarHBondContact N-O 3.03Å; V505-H1012 PolarHBondContact O-N 2.94Å; H1002-H1012 AromaticContact CD2-CG 3.89Å; H1002-H1012 AromaticContact CD2-ND1 3.91Å; H1002-H1012 PolarHBondContact O-CD2 3.2Å; F1003-H1012 HydrophobicContact CD1-CB 3.8Å; F1003-H1012 HydrophobicContact CD2-CB 4.37Å; F1003-H1012 HydrophobicContact CE1-CB 3.68Å; F1003-H1012 HydrophobicContact CE2-CB 4.28Å; F1003-H1012 HydrophobicContact CG-CB 4.15Å; F1003-H1012 HydrophobicContact CZ-CB 3.92Å; H1012-V1014 WeakPolarHBondContact CE1-CG2 3.37Å; H1012-W1083 AromaticContact CE1-CD1 3.59Å; H1012-W1083 AromaticContact CE1-CG 3.8Å; H1012-W1083 AromaticContact ND1-CD1 3.92Å; H1012-W1083 AromaticContact ND1-NE1 3.92Å
1013K94.6Very high93.9Very high37 Ų3728 Ų2816%0.16114%0.143CC..EExtended strand (participates in β ladder)trans-106.9109.8-175.9-173172.3179.5173.60110.4N395 N462 A502 L503 L504N395-K1013 PolarHBondContact OD1-NZ 2.8Å; N462-K1013 PolarHBondContact O-NZ 3.02Å; A502-K1013 HydrophobicContact CB-CD 4.45Å; A502-K1013 HydrophobicContact CB-CG 3.88Å; L503-K1013 CarbonylContact O-C 3.58Å; L503-K1013 WeakPolarHBondContact O-CA 3.17Å; L504-K1013 HydrophobicContact CD1-CB 4.27Å
1014V94.9Very high94.1Very high18 Ų1828.3 Ų28.311%0.10915%0.146CC..EExtended strand (participates in β ladder)trans-96.7104.5-178.1-176.20000109.1A502 L503 H1012 L1016 W1083A502-V1014 CarbonylContact C-O 3.18Å; A502-V1014 WeakPolarHBondContact CA-O 3.21Å; A502-V1014 VanDerWaalsContact CB-O 3.26Å; A502-V1014 WeakPolarHBondContact CB-O 3.39Å; L503-V1014 HydrophobicContact CB-CB 4.28Å; L503-V1014 PolarHBondContact N-O 2.98Å; L503-V1014 PolarHBondContact O-N 3.03Å; H1012-V1014 WeakPolarHBondContact CE1-CG2 3.37Å; V1014-L1016 HydrophobicContact CG1-CD2 4.18Å; V1014-L1016 PolarHBondContact O-N 2.91Å; V1014-W1083 HydrophobicContact CG1-CB 4.22Å; V1014-W1083 WeakPolarHBondContact CG1-O 3.37Å; V1014-W1083 HydrophobicContact CG2-CB 3.81Å; V1014-W1083 HydrophobicContact CG2-CD2 4.23Å; V1014-W1083 HydrophobicContact CG2-CE3 4.29Å; V1014-W1083 HydrophobicContact CG2-CG 4.04Å
1015N94.1Very high94.3Very high106 Ų10628 Ų2857%0.56714%0.141SC*.EExtended strand (participates in β ladder)trans-76123.3-176.7-65.2-39.6000111.5
1016L93.8Very high94.4Very high41 Ų4128.4 Ų28.422%0.21514%0.143CC..  trans-106.6-15.2179.8-60.1-173000113.6G501 L503 V1014 C1018 V1020 L1034 F1078G501-L1016 PolarHBondContact O-N 2.69Å; L503-L1016 HydrophobicContact CD1-CD1 4.43Å; L503-L1016 HydrophobicContact CG-CD1 4.04Å; V1014-L1016 HydrophobicContact CG1-CD2 4.18Å; V1014-L1016 PolarHBondContact O-N 2.91Å; L1016-C1018 PolarHBondContact O-N 3.42Å; L1016-C1018 VanDerWaalsContact O-N 3.13Å; L1016-V1020 HydrophobicContact CD1-CG2 3.65Å; L1016-L1034 HydrophobicContact CD1-CD1 3.79Å; L1016-F1078 HydrophobicContact CD1-CE1 4.12Å; L1016-F1078 HydrophobicContact CD1-CE2 4.44Å; L1016-F1078 HydrophobicContact CD1-CZ 3.65Å; L1016-F1078 HydrophobicContact CD2-CE1 3.6Å; L1016-F1078 HydrophobicContact CD2-CZ 3.59Å; L1016-F1078 HydrophobicContact CG-CZ 4.3Å
1017K93Very high94.3Very high167 Ų16732.2 Ų32.273%0.72616%0.163SC*.SBendtrans59.818-179.5-54.7-179.8179.11780114.5G498 G501G498-K1017 CarbonylContact O-C 3.54Å; G501-K1017 PolarHBondContact O-N 2.8Å; G501-K1017 VanDerWaalsContact O-N 3.14Å
1018C95Very high94.2Very high19 Ų1937.1 Ų37.113%0.12818%0.184CC..SBendtrans-135.3162.917265.60000109.6G498 G501 L1016 V1020 V1038G498-C1018 CarbonylContact O-C 3.54Å; G498-C1018 VanDerWaalsContact O-C 3.31Å; G498-C1018 WeakPolarHBondContact O-CA 3.45Å; G498-C1018 PolarHBondContact O-N 2.86Å; G501-C1018 WeakPolarHBondContact CA-O 3.39Å; L1016-C1018 PolarHBondContact O-N 3.42Å; L1016-C1018 VanDerWaalsContact O-N 3.13Å; C1018-V1020 PolarHBondContact O-N 2.9Å; C1018-V1038 HydrophobicContact CB-CG2 3.83Å
1019T97.2Very high94.3Very high2 Ų236.5 Ų36.51%0.01218%0.18CC..EExtended strand (participates in β ladder)trans-77.8114179.4-56.70000109.9G498 H1021 S1036 S1037G498-T1019 WeakPolarHBondContact CA-OG1 3.02Å; G498-T1019 PolarHBondContact N-OG1 2.92Å; T1019-H1021 PolarHBondContact O-CD2 2.84Å; T1019-S1036 CarbonylContact O-C 3.58Å; T1019-S1036 WeakPolarHBondContact O-CA 3.37Å; T1019-S1036 WeakPolarHBondContact O-CB 3.45Å; T1019-S1037 PolarHBondContact N-O 2.75Å; T1019-S1037 PolarHBondContact O-N 3.12Å
1020V97.3Very high94.3Very high0 Ų040.9 Ų40.90%020%0.2CC..EExtended strand (participates in β ladder)trans-86.2123.2171.2-170.60000108.9R467 A494 L503 L1016 C1018R467-V1020 WeakPolarHBondContact CD-O 3.37Å; A494-V1020 HydrophobicContact CB-CB 3.94Å; A494-V1020 HydrophobicContact CB-CG1 3.63Å; L503-V1020 HydrophobicContact CD2-CG1 4.18Å; L1016-V1020 HydrophobicContact CD1-CG2 3.65Å; C1018-V1020 PolarHBondContact O-N 2.9Å
1021H97.2Very high94.3Very high26 Ų2641 Ų4112%0.1220%0.201CC..EExtended strand (participates in β ladder)trans-98.9-41.5-179.4-63.8-85.9000112.4R467 T1019 A1035 S1037 Y1073R467-H1021 PolarHBondContact NH1-CE1 2.8Å; R467-H1021 VanDerWaalsContact NH1-CE1 3.31Å; R467-H1021 PolarHBondContact NH1-ND1 3Å; T1019-H1021 PolarHBondContact O-CD2 2.84Å; H1021-A1035 PolarHBondContact N-O 2.87Å; H1021-S1037 WeakPolarHBondContact NE2-CB 3.33Å; H1021-S1037 PolarHBondContact NE2-OG 2.87Å; H1021-Y1073 HydrophobicContact CB-CE1 4.45Å; H1021-Y1073 AromaticContact CD2-CE1 3.39Å; H1021-Y1073 WeakPolarHBondContact CD2-CE1 3.41Å; H1021-Y1073 AromaticContact CD2-CZ 3.88Å; H1021-Y1073 AromaticContact CE1-CZ 3.92Å; H1021-Y1073 PolarHBondContact CE1-OH 2.96Å; H1021-Y1073 VanDerWaalsContact CE1-OH 3.23Å; H1021-Y1073 AromaticContact CG-CE1 3.87Å; H1021-Y1073 AromaticContact NE2-CE1 3.62Å; H1021-Y1073 AromaticContact NE2-CZ 3.59Å; H1021-Y1073 PolarHBondContact NE2-OH 3.2Å
1022F98.1Very high94.4Very high41 Ų4140.9 Ų40.918%0.1820%0.2CC..EExtended strand (participates in β ladder)trans-134.8146.3-178.1-54.3-77.5000111.3D468 L1034 A1035 I1099 T1100 F1102D468-F1022 VanDerWaalsContact OD2-CA 3.31Å; D468-F1022 WeakPolarHBondContact OD2-CA 3.45Å; F1022-L1034 WeakPolarHBondContact O-CA 3.21Å; F1022-A1035 HydrophobicContact CB-CB 4.16Å; F1022-A1035 HydrophobicContact CD2-CB 3.93Å; F1022-A1035 PolarHBondContact N-O 2.81Å; F1022-A1035 PolarHBondContact O-N 3.13Å; F1022-A1035 VanDerWaalsContact O-N 3.08Å; F1022-I1099 HydrophobicContact CD2-CG2 4.16Å; F1022-I1099 HydrophobicContact CE2-CG2 4.09Å; F1022-T1100 WeakPolarHBondContact CZ-O 3.32Å; F1022-F1102 HydrophobicContact CB-CB 3.62Å; F1022-F1102 HydrophobicContact CB-CD1 3.81Å; F1022-F1102 HydrophobicContact CB-CG 3.96Å; F1022-F1102 HydrophobicContact CD1-CB 4.31Å; F1022-F1102 HydrophobicContact CD2-CB 3.8Å; F1022-F1102 HydrophobicContact CG-CB 3.64Å; F1022-F1102 HydrophobicContact CG-CG 4.46Å
1023V97.3Very high94.5Very high2 Ų239.4 Ų39.41%0.01219%0.193CC..EExtended strand (participates in β ladder)trans-138.1125.4175.456.70000109.7D468 T470 V492 A494 L503 Y1032 L1034D468-V1023 HydrophobicContact CB-CG1 4.25Å; D468-V1023 PolarHBondContact OD2-N 2.76Å; T470-V1023 WeakPolarHBondContact CB-O 3.36Å; T470-V1023 HydrophobicContact CG2-CB 4.44Å; T470-V1023 HydrophobicContact CG2-CG1 4.07Å; T470-V1023 HydrophobicContact CG2-CG2 3.76Å; V492-V1023 HydrophobicContact CG1-CG2 4.04Å; A494-V1023 HydrophobicContact CB-CG1 4.13Å; L503-V1023 HydrophobicContact CD2-CB 4.42Å; L503-V1023 HydrophobicContact CD2-CG2 4.24Å; V1023-Y1032 HydrophobicContact CG2-CD1 4.05Å; V1023-L1034 HydrophobicContact CB-CD2 3.68Å; V1023-L1034 HydrophobicContact CG2-CD2 3.39Å
1024V96.7Very high94.7Very high14 Ų1437.7 Ų37.79%0.08519%0.185CC..EExtended strand (participates in β ladder)trans-129.8130.3179.7174.40000108.7L1026 Y1032 A1033 F1102 E1104V1024-L1026 HydrophobicContact CG1-CD2 4.16Å; V1024-Y1032 CarbonylContact O-C 3.53Å; V1024-Y1032 WeakPolarHBondContact O-CA 3.37Å; V1024-A1033 PolarHBondContact N-O 2.74Å; V1024-A1033 PolarHBondContact O-N 3.41Å; V1024-F1102 HydrophobicContact CB-CD1 4.26Å; V1024-F1102 HydrophobicContact CB-CE1 4.09Å; V1024-F1102 HydrophobicContact CG2-CD1 3.61Å; V1024-F1102 HydrophobicContact CG2-CE1 3.96Å; V1024-E1104 HydrophobicContact CG1-CB 3.9Å
1025Y95.8Very high94.8Very high20 Ų2036.9 Ų36.98%0.07818%0.18CC..EExtended strand (participates in β ladder)trans-84.8127.2169.6-177.3-110000109.7T470 I471 Q473 L1027 H1030 Y1032T470-Y1025 PolarHBondContact OG1-N 3.13Å; I471-Y1025 WeakPolarHBondContact O-CB 3.29Å; Q473-Y1025 HydrophobicContact CB-CE2 4.47Å; Q473-Y1025 VanDerWaalsContact CB-OH 3.3Å; Q473-Y1025 WeakPolarHBondContact CB-OH 3.38Å; Q473-Y1025 PolarHBondContact OE1-OH 3.39Å; Y1025-L1027 HydrophobicContact CE1-CD1 3.97Å; Y1025-H1030 PolarHBondContact OH-ND1 3.48Å; Y1025-Y1032 AromaticContact CD2-CD1 3.87Å; Y1025-Y1032 HydrophobicContact CD2-CD1 3.87Å; Y1025-Y1032 HydrophobicContact CD2-CD2 4.44Å; Y1025-Y1032 AromaticContact CD2-CE1 3.52Å; Y1025-Y1032 HydrophobicContact CD2-CE1 3.52Å; Y1025-Y1032 HydrophobicContact CD2-CE2 4.15Å; Y1025-Y1032 HydrophobicContact CD2-CG 4.31Å; Y1025-Y1032 AromaticContact CD2-CZ 3.65Å; Y1025-Y1032 HydrophobicContact CG-CD1 4.39Å; Y1025-Y1032 AromaticContact CG-CE1 3.99Å; Y1025-Y1032 HydrophobicContact CG-CE1 3.99Å
1026L95.2Very high95Very high8 Ų832 Ų324%0.04216%0.155CC..EExtended strand (participates in β ladder)trans-98.3113.6176.8-60.5177.7000109.1V1024 S1029 H1030 T1031 A1033 L1077 E1104 L1120 V1143V1024-L1026 HydrophobicContact CG1-CD2 4.16Å; L1026-S1029 WeakPolarHBondContact CB-OG 3.48Å; L1026-H1030 WeakPolarHBondContact O-CA 3.4Å; L1026-H1030 PolarHBondContact O-N 3.27Å; L1026-H1030 VanDerWaalsContact O-N 3.13Å; L1026-T1031 WeakPolarHBondContact CB-O 3.41Å; L1026-T1031 PolarHBondContact N-O 3.24Å; L1026-T1031 PolarHBondContact O-N 2.88Å; L1026-A1033 HydrophobicContact CD1-CB 4Å; L1026-A1033 HydrophobicContact CG-CB 4.33Å; L1026-L1077 HydrophobicContact CD1-CD2 4.08Å; L1026-E1104 HydrophobicContact CD2-CB 4.3Å; L1026-E1104 HydrophobicContact CD2-CG 4.22Å; L1026-L1120 HydrophobicContact CD2-CB 4.36Å; L1026-L1120 HydrophobicContact CD2-CD1 4.33Å; L1026-V1143 HydrophobicContact CD1-CB 4.38Å; L1026-V1143 HydrophobicContact CD1-CG2 3.52Å
1027L88.3Confident95.1Very high106 Ų10630.1 Ų30.156%0.55515%0.145SC*.THydrogen-bonded Turntrans-70.3-36.6-169.6-175.565.1000112.8Y1025Y1025-L1027 HydrophobicContact CE1-CD1 3.97Å
1028E89.2Confident95.3Very high113 Ų11325.9 Ų25.953%0.52813%0.133SC..THydrogen-bonded Turntrans-73.6-40.2-175.2-66.4-178-173.100112.5N1118E1028-N1118 WeakPolarHBondContact OE1-CB 3.49Å; E1028-N1118 PolarHBondContact OE1-ND2 3.23Å
1029S90.3Very high95.2Very high11 Ų1128.7 Ų28.78%0.07714%0.143CC..THydrogen-bonded Turntrans-91.8-6.4-178.762.90000113.8L1026 T1031 N1157L1026-S1029 WeakPolarHBondContact CB-OG 3.48Å; S1029-T1031 VanDerWaalsContact C-N 3.31Å; S1029-T1031 PolarHBondContact O-N 2.82Å; S1029-T1031 PolarHBondContact OG-OG1 2.96Å; S1029-N1157 PolarHBondContact O-ND2 2.8Å
1030H90.3Very high95Very high93 Ų9332.6 Ų32.643%0.43116%0.161SC..THydrogen-bonded Turntrans51.145.6-172.9-61.3-86000112.9Q473 Y1025 L1026 P1080Q473-H1030 PolarHBondContact OE1-ND1 2.83Å; Y1025-H1030 PolarHBondContact OH-ND1 3.48Å; L1026-H1030 WeakPolarHBondContact O-CA 3.4Å; L1026-H1030 PolarHBondContact O-N 3.27Å; L1026-H1030 VanDerWaalsContact O-N 3.13Å; H1030-P1080 WeakPolarHBondContact O-CD 3.27Å; H1030-P1080 WeakPolarHBondContact O-CG 3.4Å
1031T93.4Very high94.8Very high4 Ų436.1 Ų36.13%0.02518%0.184CC..EExtended strand (participates in β ladder)trans-132.1159.2179.751.70000112.1L1026 S1029 F1078 I1086 N1157L1026-T1031 WeakPolarHBondContact CB-O 3.41Å; L1026-T1031 PolarHBondContact N-O 3.24Å; L1026-T1031 PolarHBondContact O-N 2.88Å; S1029-T1031 VanDerWaalsContact C-N 3.31Å; S1029-T1031 PolarHBondContact O-N 2.82Å; S1029-T1031 PolarHBondContact OG-OG1 2.96Å; T1031-F1078 WeakPolarHBondContact CB-O 3.47Å; T1031-I1086 HydrophobicContact CG2-CD1 4.07Å; T1031-N1157 WeakPolarHBondContact CG2-ND2 3.5Å
1032Y96Very high94.5Very high0 Ų035.3 Ų35.30%018%0.181CC..EExtended strand (participates in β ladder)trans-92.7139166.8-66.2-80.7000110.2T470 G472 V492 V1023 V1024 Y1025 L1077 F1078 P1080 W1083T470-Y1032 HydrophobicContact CG2-CD1 4.17Å; T470-Y1032 HydrophobicContact CG2-CE1 3.9Å; G472-Y1032 WeakPolarHBondContact CA-OH 3.48Å; V492-Y1032 HydrophobicContact CB-CE1 4.02Å; V492-Y1032 HydrophobicContact CG1-CE1 4.32Å; V492-Y1032 HydrophobicContact CG2-CE1 3.82Å; V492-Y1032 HydrophobicContact CG2-CE2 4.35Å; V492-Y1032 WeakPolarHBondContact CG2-OH 3.24Å; V1023-Y1032 HydrophobicContact CG2-CD1 4.05Å; V1024-Y1032 CarbonylContact O-C 3.53Å; V1024-Y1032 WeakPolarHBondContact O-CA 3.37Å; Y1025-Y1032 AromaticContact CD2-CD1 3.87Å; Y1025-Y1032 HydrophobicContact CD2-CD1 3.87Å; Y1025-Y1032 HydrophobicContact CD2-CD2 4.44Å; Y1025-Y1032 AromaticContact CD2-CE1 3.52Å; Y1025-Y1032 HydrophobicContact CD2-CE1 3.52Å; Y1025-Y1032 HydrophobicContact CD2-CE2 4.15Å; Y1025-Y1032 HydrophobicContact CD2-CG 4.31Å; Y1025-Y1032 AromaticContact CD2-CZ 3.65Å; Y1025-Y1032 HydrophobicContact CG-CD1 4.39Å; Y1025-Y1032 AromaticContact CG-CE1 3.99Å; Y1025-Y1032 HydrophobicContact CG-CE1 3.99Å; Y1032-L1077 CarbonylContact O-C 3.5Å; Y1032-L1077 WeakPolarHBondContact O-CA 3.44Å; Y1032-F1078 PolarHBondContact N-O 2.92Å; Y1032-F1078 PolarHBondContact O-N 2.82Å; Y1032-P1080 HydrophobicContact CD2-CB 4.23Å; Y1032-P1080 HydrophobicContact CE2-CB 3.8Å; Y1032-W1083 HydrophobicContact CD2-CH2 4.37Å; Y1032-W1083 HydrophobicContact CD2-CZ3 4.09Å; Y1032-W1083 AromaticContact CE2-CH2 3.59Å; Y1032-W1083 HydrophobicContact CE2-CH2 3.59Å; Y1032-W1083 AromaticContact CE2-CZ3 3.77Å; Y1032-W1083 HydrophobicContact CE2-CZ3 3.77Å
1033A97.3Very high94.1Very high0 Ų039.2 Ų39.20%020%0.198CC..EExtended strand (participates in β ladder)trans-106.5131.2165.800000108.4V1024 L1026 Q1076 L1077 F1102 L1120V1024-A1033 PolarHBondContact N-O 2.74Å; V1024-A1033 PolarHBondContact O-N 3.41Å; L1026-A1033 HydrophobicContact CD1-CB 4Å; L1026-A1033 HydrophobicContact CG-CB 4.33Å; A1033-Q1076 WeakPolarHBondContact CA-O 3.16Å; A1033-L1077 HydrophobicContact CB-CD2 3.9Å; A1033-F1102 HydrophobicContact CB-CE1 3.87Å; A1033-F1102 HydrophobicContact CB-CZ 3.71Å; A1033-F1102 WeakPolarHBondContact O-CE1 3.33Å; A1033-L1120 HydrophobicContact CB-CD1 4.29Å; A1033-L1120 HydrophobicContact CB-CD2 3.83Å
1034L97.4Very high93.7Very high1 Ų140.8 Ų40.81%0.00521%0.208CC..EExtended strand (participates in β ladder)trans-118.6144.7-178.8-54.3-171000110.5L503 L1016 F1022 V1023 V1075 Q1076 F1078L503-L1034 HydrophobicContact CD1-CD1 3.69Å; L503-L1034 HydrophobicContact CD1-CD2 4.15Å; L503-L1034 HydrophobicContact CD1-CG 4.5Å; L503-L1034 HydrophobicContact CD2-CD1 4.14Å; L503-L1034 HydrophobicContact CD2-CD2 3.92Å; L503-L1034 HydrophobicContact CG-CD1 4.09Å; L1016-L1034 HydrophobicContact CD1-CD1 3.79Å; F1022-L1034 WeakPolarHBondContact O-CA 3.21Å; V1023-L1034 HydrophobicContact CB-CD2 3.68Å; V1023-L1034 HydrophobicContact CG2-CD2 3.39Å; L1034-V1075 VanDerWaalsContact O-CA 3.27Å; L1034-V1075 WeakPolarHBondContact O-CA 3.26Å; L1034-Q1076 PolarHBondContact N-O 2.91Å; L1034-Q1076 PolarHBondContact O-N 3.37Å; L1034-F1078 HydrophobicContact CB-CD2 4.35Å; L1034-F1078 HydrophobicContact CB-CE2 4.47Å; L1034-F1078 HydrophobicContact CD1-CD1 4.24Å; L1034-F1078 HydrophobicContact CD1-CD2 3.26Å; L1034-F1078 HydrophobicContact CD1-CE1 4.18Å; L1034-F1078 HydrophobicContact CD1-CE2 3.18Å; L1034-F1078 HydrophobicContact CD1-CG 3.8Å; L1034-F1078 HydrophobicContact CD1-CZ 3.64Å; L1034-F1078 HydrophobicContact CG-CD2 3.57Å; L1034-F1078 HydrophobicContact CG-CE2 3.93Å; L1034-F1078 HydrophobicContact CG-CG 4.16Å
1035A98Very high93.1Very high0 Ų045 Ų450%023%0.228CC..EExtended strand (participates in β ladder)trans-113.3119.6163.100000109H1021 F1022 S1074 I1099 F1102H1021-A1035 PolarHBondContact N-O 2.87Å; F1022-A1035 HydrophobicContact CB-CB 4.16Å; F1022-A1035 HydrophobicContact CD2-CB 3.93Å; F1022-A1035 PolarHBondContact N-O 2.81Å; F1022-A1035 PolarHBondContact O-N 3.13Å; F1022-A1035 VanDerWaalsContact O-N 3.08Å; A1035-S1074 WeakPolarHBondContact CA-O 3.13Å; A1035-I1099 HydrophobicContact CB-CD1 3.84Å; A1035-I1099 HydrophobicContact CB-CG2 4.27Å; A1035-F1102 HydrophobicContact CB-CD2 3.93Å; A1035-F1102 HydrophobicContact CB-CE2 4.2Å; A1035-F1102 HydrophobicContact CB-CG 4.15Å
1036S97.4Very high92.7Very high5 Ų544.5 Ų44.54%0.03523%0.227CC..EExtended strand (participates in β ladder)trans-126.4164-176.462.30000111.7T1019 Y1073 S1074T1019-S1036 CarbonylContact O-C 3.58Å; T1019-S1036 WeakPolarHBondContact O-CA 3.37Å; T1019-S1036 WeakPolarHBondContact O-CB 3.45Å; S1036-Y1073 CarbonylContact O-C 3.6Å; S1036-Y1073 VanDerWaalsContact O-CA 3.3Å; S1036-Y1073 WeakPolarHBondContact O-CA 3.45Å; S1036-S1074 PolarHBondContact N-O 3.09Å; S1036-S1074 PolarHBondContact O-N 3.16Å
1037S97.3Very high92.2Very high1 Ų145.3 Ų45.31%0.00723%0.232CC..EExtended strand (participates in β ladder)trans-134.8150.5172.279.60000113.5T1019 H1021 D1071 R1072T1019-S1037 PolarHBondContact N-O 2.75Å; T1019-S1037 PolarHBondContact O-N 3.12Å; H1021-S1037 WeakPolarHBondContact NE2-CB 3.33Å; H1021-S1037 PolarHBondContact NE2-OG 2.87Å; S1037-D1071 PolarHBondContact OG-OD1 2.81Å; S1037-D1071 VanDerWaalsContact OG-OD1 3.07Å; S1037-R1072 WeakPolarHBondContact CA-O 3.3Å; S1037-R1072 WeakPolarHBondContact CB-O 3.48Å
1038V96.4Very high91.9Very high78 Ų7843.2 Ų43.247%0.47322%0.221SC..EExtended strand (participates in β ladder)trans-121.6138.2170.8-179.80000108.4C1018 R1072C1018-V1038 HydrophobicContact CB-CG2 3.83Å; V1038-R1072 PolarHBondContact N-O 3.4Å; V1038-R1072 VanDerWaalsContact N-O 3.08Å; V1038-R1072 PolarHBondContact O-N 3.15Å
1039K93.4Very high91.6Very high78 Ų7843.4 Ų43.434%0.33923%0.225SC..EExtended strand (participates in β ladder)trans-80.5122.3177.3-72.4-166.5174.6-157.70110.5L1069 L1070 D1071K1039-L1069 HydrophobicContact CB-CB 4.39Å; K1039-L1069 HydrophobicContact CD-CB 4.36Å; K1039-L1069 HydrophobicContact CD-CD1 4.4Å; K1039-L1070 CarbonylContact C-O 3.53Å; K1039-L1070 WeakPolarHBondContact CA-O 3.21Å; K1039-D1071 VanDerWaalsContact CG-OD1 3.3Å; K1039-D1071 WeakPolarHBondContact CG-OD1 3.23Å
1040E93.6Very high91.2Very high83 Ų8346.3 Ų46.339%0.38826%0.257SS..EExtended strand (participates in β ladder)trans-120.1144.2177.6-65.8-177168.600110.5C1042 L1069 L1070 R1072E1040-C1042 PolarHBondContact O-N 3.48Å; E1040-L1069 WeakPolarHBondContact O-CA 3.47Å; E1040-L1070 PolarHBondContact N-O 3.3Å; E1040-L1070 PolarHBondContact O-N 3.47Å; E1040-R1072 HydrophobicContact CG-CB 4.38Å
1041P91.8Very high90.7Very high74 Ų7451.1 Ų51.148%0.48128%0.279SS..EExtended strand (participates in β ladder)trans-63.6120.2172.6-20.932.9000111.4L1069P1041-L1069 HydrophobicContact CB-CD2 4.42Å; P1041-L1069 HydrophobicContact CG-CD2 4.11Å
1042C90.7Very high90.3Very high10 Ų1058.4 Ų58.47%0.06831%0.313CS..  trans-82.4117.3175.6-174.50000109.5E1040 T1044 P1068 L1070 E1095E1040-C1042 PolarHBondContact O-N 3.48Å; C1042-T1044 PolarHBondContact SG-O 2.79Å; C1042-P1068 HydrophobicContact CB-CG 4.35Å; C1042-P1068 PolarHBondContact N-O 3.22Å; C1042-L1070 HydrophobicContact CB-CB 4.08Å; C1042-E1095 PolarHBondContact SG-OE1 3.18Å
1043K89.6Confident89.9Confident122 Ų12262.1 Ų62.153%0.5333%0.33SS..  trans-1085.7-178-61.8-174.6-179.9-177.70113.1P1057 F1058 Y1067K1043-P1057 WeakPolarHBondContact O-CA 3.47Å; K1043-F1058 VanDerWaalsContact C-CD2 3.43Å; K1043-F1058 WeakPolarHBondContact O-CD2 3.19Å; K1043-F1058 PolarHBondContact O-N 3.02Å; K1043-Y1067 HydrophobicContact CB-CE1 4.39Å; K1043-Y1067 HydrophobicContact CG-CD1 3.97Å; K1043-Y1067 HydrophobicContact CG-CE1 3.96Å; K1043-Y1067 HydrophobicContact CG-CG 4.41Å
1044T88.9Confident89.4Confident35 Ų3566.4 Ų66.422%0.21535%0.349CS..EExtended strand (participates in β ladder)trans-125.9140.9-177.965.60000110.4C1042 E1056C1042-T1044 PolarHBondContact SG-O 2.79Å; T1044-E1056 CarbonylContact C-O 3.58Å; T1044-E1056 WeakPolarHBondContact CA-O 3.31Å
1045M84.8Confident88.9Confident102 Ų10271 Ų7150%0.50237%0.37SS..EExtended strand (participates in β ladder)trans-109.1144.9169.8-179.2172.5175.100108.2T1047 F1055 E1056 F1058M1045-T1047 HydrophobicContact CE-CG2 4.28Å; M1045-T1047 HydrophobicContact CG-CG2 4.48Å; M1045-F1055 CarbonylContact O-C 3.52Å; M1045-F1055 WeakPolarHBondContact O-CA 3.23Å; M1045-E1056 PolarHBondContact N-O 3.01Å; M1045-E1056 PolarHBondContact O-N 2.67Å; M1045-F1058 HydrophobicContact CB-CZ 4.43Å
1046V87.3Confident88.4Confident11 Ų1174.7 Ų74.77%0.06739%0.387CS..EExtended strand (participates in β ladder)trans-107.7120.8177.2-1750000109.7K1053 H1054 F1055 F1096 Y1128 V1132V1046-K1053 HydrophobicContact CG1-CB 4.09Å; V1046-H1054 CarbonylContact C-O 3.5Å; V1046-H1054 WeakPolarHBondContact CA-O 3.28Å; V1046-F1055 HydrophobicContact CG2-CD1 3.45Å; V1046-F1055 VanDerWaalsContact CG2-CD1 3.45Å; V1046-F1055 HydrophobicContact CG2-CE1 3.45Å; V1046-F1055 VanDerWaalsContact CG2-CE1 3.45Å; V1046-F1055 HydrophobicContact CG2-CG 4.28Å; V1046-F1055 HydrophobicContact CG2-CZ 4.28Å; V1046-F1096 HydrophobicContact CG2-CD2 4.44Å; V1046-F1096 HydrophobicContact CG2-CE1 4.4Å; V1046-F1096 HydrophobicContact CG2-CE2 3.88Å; V1046-F1096 HydrophobicContact CG2-CZ 3.86Å; V1046-Y1128 HydrophobicContact CB-CD1 4.38Å; V1046-Y1128 HydrophobicContact CG1-CD1 4.32Å; V1046-Y1128 HydrophobicContact CG1-CG 4.38Å; V1046-Y1128 HydrophobicContact CG2-CD1 3.84Å; V1046-Y1128 HydrophobicContact CG2-CG 4.5Å; V1046-V1132 HydrophobicContact CG1-CG2 4.38Å
1047T84.3Confident87.9Confident24 Ų2478.2 Ų78.215%0.14741%0.409CS..EExtended strand (participates in β ladder)trans-113.3154.217659.30000109.8M1045 H1054 E1056M1045-T1047 HydrophobicContact CE-CG2 4.28Å; M1045-T1047 HydrophobicContact CG-CG2 4.48Å; T1047-H1054 PolarHBondContact N-O 2.84Å; T1047-H1054 PolarHBondContact O-N 3.06Å; T1047-E1056 PolarHBondContact OG1-OE1 3.04Å
1048L83Confident87Confident63 Ų6381.2 Ų81.233%0.3342%0.422SS..EExtended strand (participates in β ladder)trans-98.6116.5174.8-84.3161000110.4E1131 V1132L1048-E1131 HydrophobicContact CD1-CB 4.31Å; L1048-E1131 WeakPolarHBondContact CD1-O 3.35Å; L1048-V1132 HydrophobicContact CD1-CB 4.42Å; L1048-V1132 HydrophobicContact CD1-CG2 3.9Å; L1048-V1132 HydrophobicContact CG-CG2 4.01Å
1049L82.6Confident85.9Confident116 Ų11683.3 Ų83.361%0.60743%0.431SS*.EExtended strand (participates in β ladder)trans-104.286.9168.8-72.5171000108.6E1051 E1052 H1054L1049-E1051 PolarHBondContact O-N 2.91Å; L1049-E1052 PolarHBondContact N-O 3.17Å; L1049-E1052 VanDerWaalsContact N-O 3.1Å; L1049-E1052 PolarHBondContact O-N 2.97Å; L1049-H1054 HydrophobicContact CD1-CB 3.8Å; L1049-H1054 HydrophobicContact CG-CB 4.27Å
1050G82.9Confident84.9Confident72 Ų7287.4 Ų87.474%0.74246%0.457SS*.THydrogen-bonded Turntrans76.5-115.9-173.100000111.5
1051E79.6Confident83.9Confident194 Ų19486.7 Ų86.791%0.90745%0.453SS*.THydrogen-bonded Turntrans-102.2-9175.2-64.3-165.2167.800113.3L1049L1049-E1051 PolarHBondContact O-N 2.91Å
1052E84.4Confident83.1Confident158 Ų15885.8 Ų85.874%0.73845%0.447SS*.EExtended strand (participates in β ladder)trans-94.7141.5-178.8-67-172.5173.900111.6L1049L1049-E1052 PolarHBondContact N-O 3.17Å; L1049-E1052 VanDerWaalsContact N-O 3.1Å; L1049-E1052 PolarHBondContact O-N 2.97Å
1053K86.4Confident82.3Confident78 Ų7890.6 Ų90.634%0.33948%0.478SS..EExtended strand (participates in β ladder)trans-82.4126177-58.3172.6-172.4171.60109V1046 F1055 Y1128 V1132V1046-K1053 HydrophobicContact CG1-CB 4.09Å; K1053-F1055 HydrophobicContact CB-CE2 4.29Å; K1053-Y1128 HydrophobicContact CD-CD2 4.43Å; K1053-Y1128 HydrophobicContact CD-CE2 4.17Å; K1053-V1132 HydrophobicContact CD-CG1 4.42Å; K1053-V1132 HydrophobicContact CG-CG1 4.46Å
1054H86.9Confident81.6Confident90 Ų9086.9 Ų86.942%0.41746%0.463SS..EExtended strand (participates in β ladder)trans-109.1129.4174-164.149000110V1046 T1047 L1049 E1056V1046-H1054 CarbonylContact C-O 3.5Å; V1046-H1054 WeakPolarHBondContact CA-O 3.28Å; T1047-H1054 PolarHBondContact N-O 2.84Å; T1047-H1054 PolarHBondContact O-N 3.06Å; L1049-H1054 HydrophobicContact CD1-CB 3.8Å; L1049-H1054 HydrophobicContact CG-CB 4.27Å; H1054-E1056 IonicContact CD2-OE1 3.51Å
1055F88.3Confident81.3Confident98 Ų9887.4 Ų87.443%0.4346%0.462SS..EExtended strand (participates in β ladder)trans-100.5107.1178.7-65.5-98.2000108.1M1045 V1046 K1053 F1096 Y1128M1045-F1055 CarbonylContact O-C 3.52Å; M1045-F1055 WeakPolarHBondContact O-CA 3.23Å; V1046-F1055 HydrophobicContact CG2-CD1 3.45Å; V1046-F1055 VanDerWaalsContact CG2-CD1 3.45Å; V1046-F1055 HydrophobicContact CG2-CE1 3.45Å; V1046-F1055 VanDerWaalsContact CG2-CE1 3.45Å; V1046-F1055 HydrophobicContact CG2-CG 4.28Å; V1046-F1055 HydrophobicContact CG2-CZ 4.28Å; K1053-F1055 HydrophobicContact CB-CE2 4.29Å; F1055-F1096 HydrophobicContact CD1-CE2 4.02Å; F1055-F1096 AromaticContact CE1-CD2 3.92Å; F1055-F1096 HydrophobicContact CE1-CD2 3.92Å; F1055-F1096 AromaticContact CE1-CE2 3.71Å; F1055-F1096 HydrophobicContact CE1-CE2 3.71Å; F1055-Y1128 HydrophobicContact CE1-CD1 4.36Å; F1055-Y1128 HydrophobicContact CE1-CE1 4.1Å; F1055-Y1128 HydrophobicContact CZ-CE1 4.02Å
1056E87.2Confident81.5Confident77 Ų7784.7 Ų84.736%0.3645%0.449SS..EExtended strand (participates in β ladder)trans-100.2124.1179.9-67.7175.6-159.500108.9T1044 M1045 T1047 H1054T1044-E1056 CarbonylContact C-O 3.58Å; T1044-E1056 WeakPolarHBondContact CA-O 3.31Å; M1045-E1056 PolarHBondContact N-O 3.01Å; M1045-E1056 PolarHBondContact O-N 2.67Å; T1047-E1056 PolarHBondContact OG1-OE1 3.04Å; H1054-E1056 IonicContact CD2-OE1 3.51Å
1057P85.7Confident81.5Confident78 Ų7887.5 Ų87.551%0.50646%0.459SS..EExtended strand (participates in β ladder)trans-67.8151.1170.130.3-33.3000110.3K1043 D1059K1043-P1057 WeakPolarHBondContact O-CA 3.47Å; P1057-D1059 PolarHBondContact O-N 3.03Å; P1057-D1059 VanDerWaalsContact O-N 3.12Å
1058F79.8Confident81.8Confident64 Ų6489.7 Ų89.728%0.28147%0.473SS..  trans-64.6112.4166.7-68.6-81.9000109K1043 M1045 E1061 Y1067K1043-F1058 VanDerWaalsContact C-CD2 3.43Å; K1043-F1058 WeakPolarHBondContact O-CD2 3.19Å; K1043-F1058 PolarHBondContact O-N 3.02Å; M1045-F1058 HydrophobicContact CB-CZ 4.43Å; F1058-E1061 HydrophobicContact CB-CG 3.98Å; F1058-Y1067 HydrophobicContact CB-CE1 4.22Å; F1058-Y1067 HydrophobicContact CD2-CD1 4.25Å; F1058-Y1067 HydrophobicContact CD2-CE1 4.22Å; F1058-Y1067 HydrophobicContact CG-CE1 4.48Å
1059D73.4Confident82.1Confident122 Ų12291.8 Ų91.865%0.65249%0.485SS*.  trans-89.2143.4179.4-79.1-24.6000111.6P1057 E1061P1057-D1059 PolarHBondContact O-N 3.03Å; P1057-D1059 VanDerWaalsContact O-N 3.12Å; D1059-E1061 PolarHBondContact O-N 2.92Å; D1059-E1061 VanDerWaalsContact O-N 3.13Å
1060N70.9Confident82.6Confident165 Ų16588 Ų8888%0.88247%0.465SS*.SBendtrans57.624.9168-59.1-39.3000116.5
1061E74.4Confident83.2Confident68 Ų6886.3 Ų86.332%0.31844%0.439SS..  trans-63.4138.4174-67.2-60.9165.200110.8F1058 D1059 F1065F1058-E1061 HydrophobicContact CB-CG 3.98Å; D1059-E1061 PolarHBondContact O-N 2.92Å; D1059-E1061 VanDerWaalsContact O-N 3.13Å; E1061-F1065 HydrophobicContact CB-CB 3.83Å; E1061-F1065 HydrophobicContact CB-CD1 3.97Å; E1061-F1065 HydrophobicContact CB-CG 3.87Å; E1061-F1065 HydrophobicContact CG-CB 4.48Å; E1061-F1065 HydrophobicContact CG-CD1 3.76Å; E1061-F1065 HydrophobicContact CG-CD2 4.4Å; E1061-F1065 HydrophobicContact CG-CE1 4Å; E1061-F1065 HydrophobicContact CG-CG 3.97Å; E1061-F1065 HydrophobicContact CG-CZ 4.42Å; E1061-F1065 WeakPolarHBondContact OE2-CD2 3.15Å; E1061-F1065 WeakPolarHBondContact OE2-CE2 3.15Å; E1061-F1065 WeakPolarHBondContact OE2-CG 3.45Å
1062P75Confident84Confident55 Ų5579.7 Ų79.736%0.35741%0.406SS..  trans-64.3157.3179.431-36.6000110.5E307 H1064 F1065E307-P1062 HydrophobicContact CB-CG 4.37Å; E307-P1062 WeakPolarHBondContact OE2-CB 3.36Å; E307-P1062 WeakPolarHBondContact OE2-CG 3.47Å; P1062-H1064 PolarHBondContact O-N 2.92Å; P1062-F1065 HydrophobicContact CG-CB 4.29Å; P1062-F1065 WeakPolarHBondContact O-CB 3.21Å; P1062-F1065 PolarHBondContact O-N 2.88Å
1063P72.3Confident84.7Confident110 Ų11073.2 Ų73.271%0.71437%0.374SS*.THydrogen-bonded Turntrans-61.8-18.1-167.721-30.6000114.1M324M324-P1063 VanDerWaalsContact CE-O 3.26Å; M324-P1063 WeakPolarHBondContact CE-O 3.4Å
1064H76Confident85.2Confident45 Ų4570.1 Ų70.121%0.20836%0.362CS..THydrogen-bonded Turntrans-110.723.4179.3-48.4-99.7000114.5E307 T321 M324 P1062E307-H1064 HydrophobicContact CG-CB 3.83Å; E307-H1064 IonicContact OE1-CD2 3.81Å; E307-H1064 WeakPolarHBondContact OE2-CA 3.25Å; E307-H1064 WeakPolarHBondContact OE2-CB 3.25Å; E307-H1064 PolarHBondContact OE2-N 2.92Å; T321-H1064 PolarHBondContact O-CE1 2.81Å; T321-H1064 PolarHBondContact O-ND1 2.88Å; M324-H1064 HydrophobicContact CE-CB 3.68Å; M324-H1064 VanDerWaalsContact CE-CG 3.48Å; M324-H1064 WeakPolarHBondContact CE-ND1 3.3Å; M324-H1064 HydrophobicContact CG-CB 3.92Å; M324-H1064 WeakPolarHBondContact SD-CA 3.38Å; M324-H1064 HydrophobicContact SD-CB 3.72Å; P1062-H1064 PolarHBondContact O-N 2.92Å
1065F83Confident85.7Confident46 Ų4665.8 Ų65.820%0.20234%0.343CS..  trans-70.9129.5171.8-176.1-100.3000112.5E307 E1061 P1062 Y1067E307-F1065 PolarHBondContact OE2-N 2.84Å; E1061-F1065 HydrophobicContact CB-CB 3.83Å; E1061-F1065 HydrophobicContact CB-CD1 3.97Å; E1061-F1065 HydrophobicContact CB-CG 3.87Å; E1061-F1065 HydrophobicContact CG-CB 4.48Å; E1061-F1065 HydrophobicContact CG-CD1 3.76Å; E1061-F1065 HydrophobicContact CG-CD2 4.4Å; E1061-F1065 HydrophobicContact CG-CE1 4Å; E1061-F1065 HydrophobicContact CG-CG 3.97Å; E1061-F1065 HydrophobicContact CG-CZ 4.42Å; E1061-F1065 WeakPolarHBondContact OE2-CD2 3.15Å; E1061-F1065 WeakPolarHBondContact OE2-CE2 3.15Å; E1061-F1065 WeakPolarHBondContact OE2-CG 3.45Å; P1062-F1065 HydrophobicContact CG-CB 4.29Å; P1062-F1065 WeakPolarHBondContact O-CB 3.21Å; P1062-F1065 PolarHBondContact O-N 2.88Å; F1065-Y1067 HydrophobicContact CD1-CD1 4.14Å; F1065-Y1067 HydrophobicContact CD1-CD2 4.36Å; F1065-Y1067 HydrophobicContact CD1-CE1 4.11Å; F1065-Y1067 HydrophobicContact CD1-CE2 4.31Å; F1065-Y1067 HydrophobicContact CD1-CG 4.26Å; F1065-Y1067 HydrophobicContact CE1-CD1 4.01Å; F1065-Y1067 HydrophobicContact CE1-CE1 4.22Å; F1065-Y1067 HydrophobicContact CE1-CG 4.37Å
1066I87.2Confident86.1Confident44 Ų4462.9 Ų62.923%0.22633%0.33CS..  trans-93111.8177.4-59.3177.4000109.6N306 N308 T326N306-I1066 HydrophobicContact CB-CD1 3.57Å; N306-I1066 HydrophobicContact CB-CG1 4.35Å; N308-I1066 PolarHBondContact ND2-O 2.98Å; N308-I1066 PolarHBondContact OD1-N 3.46Å; T326-I1066 HydrophobicContact CG2-CD1 3.74Å
1067Y89.2Confident86.5Confident71 Ų7159.2 Ų59.228%0.27831%0.313SS..PPolyproline II helixtrans-70.1145.8177-68.2-85000112.6K1043 F1058 F1065K1043-Y1067 HydrophobicContact CB-CE1 4.39Å; K1043-Y1067 HydrophobicContact CG-CD1 3.97Å; K1043-Y1067 HydrophobicContact CG-CE1 3.96Å; K1043-Y1067 HydrophobicContact CG-CG 4.41Å; F1058-Y1067 HydrophobicContact CB-CE1 4.22Å; F1058-Y1067 HydrophobicContact CD2-CD1 4.25Å; F1058-Y1067 HydrophobicContact CD2-CE1 4.22Å; F1058-Y1067 HydrophobicContact CG-CE1 4.48Å; F1065-Y1067 HydrophobicContact CD1-CD1 4.14Å; F1065-Y1067 HydrophobicContact CD1-CD2 4.36Å; F1065-Y1067 HydrophobicContact CD1-CE1 4.11Å; F1065-Y1067 HydrophobicContact CD1-CE2 4.31Å; F1065-Y1067 HydrophobicContact CD1-CG 4.26Å; F1065-Y1067 HydrophobicContact CE1-CD1 4.01Å; F1065-Y1067 HydrophobicContact CE1-CE1 4.22Å; F1065-Y1067 HydrophobicContact CE1-CG 4.37Å
1068P88.8Confident86.8Confident69 Ų6955.6 Ų55.645%0.44829%0.29SS..PPolyproline II helixtrans-63.4145.217127.2-33000111C1042C1042-P1068 HydrophobicContact CB-CG 4.35Å; C1042-P1068 PolarHBondContact N-O 3.22Å
1069L91.2Very high87.3Confident108 Ų10852.9 Ų52.957%0.56528%0.279SS*.EExtended strand (participates in β ladder)trans-98.9129.6179.1-61.2177.7000110.7K1039 E1040 P1041K1039-L1069 HydrophobicContact CB-CB 4.39Å; K1039-L1069 HydrophobicContact CD-CB 4.36Å; K1039-L1069 HydrophobicContact CD-CD1 4.4Å; E1040-L1069 WeakPolarHBondContact O-CA 3.47Å; P1041-L1069 HydrophobicContact CB-CD2 4.42Å; P1041-L1069 HydrophobicContact CG-CD2 4.11Å
1070L93Very high88Confident36 Ų3648.2 Ų48.219%0.18826%0.255CS..EExtended strand (participates in β ladder)trans-119.3145.7178.9-168.2141.2000111.2K1039 E1040 C1042 R1072 E1095 F1096K1039-L1070 CarbonylContact C-O 3.53Å; K1039-L1070 WeakPolarHBondContact CA-O 3.21Å; E1040-L1070 PolarHBondContact N-O 3.3Å; E1040-L1070 PolarHBondContact O-N 3.47Å; C1042-L1070 HydrophobicContact CB-CB 4.08Å; L1070-R1072 PolarHBondContact O-N 2.77Å; L1070-E1095 HydrophobicContact CD2-CG 4.4Å; L1070-E1095 WeakPolarHBondContact CD2-O 3.34Å; L1070-F1096 HydrophobicContact CD1-CD1 3.87Å; L1070-F1096 HydrophobicContact CD1-CE1 4.04Å
1071D95.1Very high88.7Confident37 Ų3747.5 Ų47.520%0.19825%0.246CC..EExtended strand (participates in β ladder)trans-84.6109.9-178.6-78.2-52.9000111.3S1037 K1039 Y1073S1037-D1071 PolarHBondContact OG-OD1 2.81Å; S1037-D1071 VanDerWaalsContact OG-OD1 3.07Å; K1039-D1071 VanDerWaalsContact CG-OD1 3.3Å; K1039-D1071 WeakPolarHBondContact CG-OD1 3.23Å; D1071-Y1073 HydrophobicContact CB-CD2 4.31Å; D1071-Y1073 HydrophobicContact CB-CE2 3.72Å; D1071-Y1073 WeakPolarHBondContact O-CD2 3.4Å
1072R96.6Very high89.3Confident55 Ų5547.4 Ų47.421%0.20825%0.25CS..EExtended strand (participates in β ladder)trans-84.3117171.7-169.875.6-177-143.54.5109.8S1037 V1038 E1040 L1070 M1093 E1095S1037-R1072 WeakPolarHBondContact CA-O 3.3Å; S1037-R1072 WeakPolarHBondContact CB-O 3.48Å; V1038-R1072 PolarHBondContact N-O 3.4Å; V1038-R1072 VanDerWaalsContact N-O 3.08Å; V1038-R1072 PolarHBondContact O-N 3.15Å; E1040-R1072 HydrophobicContact CG-CB 4.38Å; L1070-R1072 PolarHBondContact O-N 2.77Å; R1072-M1093 PolarHBondContact NE-O 3.32Å; R1072-M1093 PolarHBondContact NH2-O 2.69Å; R1072-E1095 VanDerWaalsContact NH1-CA 3.3Å; R1072-E1095 VanDerWaalsContact NH1-N 3.2Å
1073Y97.9Very high90Very high21 Ų2145.8 Ų45.88%0.08224%0.237CC..EExtended strand (participates in β ladder)trans-89.1148.3-177.8-78.4-107000112.9H1021 S1036 D1071 M1093 H1098 I1099H1021-Y1073 HydrophobicContact CB-CE1 4.45Å; H1021-Y1073 AromaticContact CD2-CE1 3.39Å; H1021-Y1073 WeakPolarHBondContact CD2-CE1 3.41Å; H1021-Y1073 AromaticContact CD2-CZ 3.88Å; H1021-Y1073 AromaticContact CE1-CZ 3.92Å; H1021-Y1073 PolarHBondContact CE1-OH 2.96Å; H1021-Y1073 VanDerWaalsContact CE1-OH 3.23Å; H1021-Y1073 AromaticContact CG-CE1 3.87Å; H1021-Y1073 AromaticContact NE2-CE1 3.62Å; H1021-Y1073 AromaticContact NE2-CZ 3.59Å; H1021-Y1073 PolarHBondContact NE2-OH 3.2Å; S1036-Y1073 CarbonylContact O-C 3.6Å; S1036-Y1073 VanDerWaalsContact O-CA 3.3Å; S1036-Y1073 WeakPolarHBondContact O-CA 3.45Å; D1071-Y1073 HydrophobicContact CB-CD2 4.31Å; D1071-Y1073 HydrophobicContact CB-CE2 3.72Å; D1071-Y1073 WeakPolarHBondContact O-CD2 3.4Å; Y1073-M1093 WeakPolarHBondContact O-CB 3.46Å; Y1073-M1093 WeakPolarHBondContact O-CG 3.08Å; Y1073-M1093 PolarHBondContact O-N 3Å; Y1073-H1098 HydrophobicContact CD2-CB 4.31Å; Y1073-H1098 AromaticContact CD2-ND1 3.95Å; Y1073-H1098 HydrophobicContact CE2-CB 4.01Å; Y1073-H1098 AromaticContact CE2-CG 3.91Å; Y1073-H1098 AromaticContact CE2-ND1 3.25Å; Y1073-H1098 VanDerWaalsContact CE2-ND1 3.25Å; Y1073-H1098 WeakPolarHBondContact CE2-ND1 3.36Å; Y1073-I1099 HydrophobicContact CD1-CB 3.71Å; Y1073-I1099 HydrophobicContact CD1-CD1 4.08Å; Y1073-I1099 HydrophobicContact CD1-CG1 3.91Å; Y1073-I1099 HydrophobicContact CE1-CB 4.18Å; Y1073-I1099 HydrophobicContact CG-CB 4.41Å; Y1073-I1099 HydrophobicContact CG-CD1 4.48Å; Y1073-I1099 HydrophobicContact CG-CG1 4.22Å
1074S97.3Very high90.9Very high13 Ų1343.7 Ų43.79%0.09122%0.222CC..EExtended strand (participates in β ladder)trans-145.5160.616671.70000112.6A1035 S1036 E1090 I1091A1035-S1074 WeakPolarHBondContact CA-O 3.13Å; S1036-S1074 PolarHBondContact N-O 3.09Å; S1036-S1074 PolarHBondContact O-N 3.16Å; S1074-E1090 WeakPolarHBondContact CB-OE1 3.34Å; S1074-E1090 PolarHBondContact OG-OE1 3.29Å; S1074-I1091 CarbonylContact C-O 3.56Å; S1074-I1091 VanDerWaalsContact CA-O 3.27Å; S1074-I1091 WeakPolarHBondContact CA-O 3.29Å
1075V97.9Very high91.6Very high0 Ų044.1 Ų44.10%023%0.23CC..EExtended strand (participates in β ladder)trans-117.2130.3176.7179.30000109.6L1034 E1090 I1091 M1093 I1099 F1102 F1122 F1159L1034-V1075 VanDerWaalsContact O-CA 3.27Å; L1034-V1075 WeakPolarHBondContact O-CA 3.26Å; V1075-E1090 CarbonylContact O-C 3.06Å; V1075-E1090 VanDerWaalsContact O-CA 3.29Å; V1075-E1090 WeakPolarHBondContact O-CA 3.17Å; V1075-I1091 HydrophobicContact CB-CB 4.22Å; V1075-I1091 PolarHBondContact N-O 3.35Å; V1075-I1091 PolarHBondContact O-N 3.35Å; V1075-M1093 HydrophobicContact CG2-CE 3.79Å; V1075-I1099 HydrophobicContact CG2-CD1 3.48Å; V1075-I1099 VanDerWaalsContact CG2-CD1 3.48Å; V1075-F1102 HydrophobicContact CB-CE2 4.37Å; V1075-F1102 HydrophobicContact CG1-CE2 3.59Å; V1075-F1102 HydrophobicContact CG1-CZ 3.78Å; V1075-F1102 HydrophobicContact CG2-CD2 4.47Å; V1075-F1102 HydrophobicContact CG2-CE2 3.82Å; V1075-F1122 HydrophobicContact CG2-CE1 4.34Å; V1075-F1122 HydrophobicContact CG2-CE2 4.26Å; V1075-F1122 HydrophobicContact CG2-CZ 4.09Å; V1075-F1159 HydrophobicContact CG1-CE2 3.99Å; V1075-F1159 HydrophobicContact CG1-CZ 3.74Å
1076Q95.8Very high92Very high37 Ų3742.2 Ų42.217%0.17322%0.221CC..EExtended strand (participates in β ladder)trans-135.7152.5-177-64-179.4-7.700111.5A1033 L1034 F1078 C1085 E1090A1033-Q1076 WeakPolarHBondContact CA-O 3.16Å; L1034-Q1076 PolarHBondContact N-O 2.91Å; L1034-Q1076 PolarHBondContact O-N 3.37Å; Q1076-F1078 HydrophobicContact CB-CE2 4.3Å; Q1076-C1085 PolarHBondContact OE1-SG 2.86Å; Q1076-E1090 HydrophobicContact CG-CB 4.2Å; Q1076-E1090 HydrophobicContact CG-CG 3.98Å; Q1076-E1090 VanDerWaalsContact NE2-CD 3.3Å; Q1076-E1090 PolarHBondContact NE2-OE1 3Å
1077L95.3Very high92Very high0 Ų042.3 Ų42.30%023%0.225CC..EExtended strand (participates in β ladder)trans-92.9145.9167.6-70.5-176000111.4L1026 Y1032 A1033 C1085 I1086 V1089 V1143 N1157 F1159L1026-L1077 HydrophobicContact CD1-CD2 4.08Å; Y1032-L1077 CarbonylContact O-C 3.5Å; Y1032-L1077 WeakPolarHBondContact O-CA 3.44Å; A1033-L1077 HydrophobicContact CB-CD2 3.9Å; L1077-C1085 WeakPolarHBondContact O-CA 3.48Å; L1077-I1086 HydrophobicContact CB-CB 4.19Å; L1077-I1086 HydrophobicContact CB-CD1 3.8Å; L1077-I1086 HydrophobicContact CB-CG1 4.13Å; L1077-I1086 HydrophobicContact CD1-CD1 4.4Å; L1077-I1086 PolarHBondContact O-N 3.33Å; L1077-V1089 HydrophobicContact CB-CG1 4.2Å; L1077-V1089 HydrophobicContact CD1-CG1 3.85Å; L1077-V1089 HydrophobicContact CG-CG1 3.9Å; L1077-V1143 HydrophobicContact CD1-CG1 3.85Å; L1077-V1143 HydrophobicContact CD1-CG2 4.4Å; L1077-V1143 HydrophobicContact CD2-CG2 4.34Å; L1077-N1157 HydrophobicContact CD1-CB 4.09Å; L1077-F1159 HydrophobicContact CB-CZ 4.44Å; L1077-F1159 HydrophobicContact CD1-CD1 4.42Å; L1077-F1159 HydrophobicContact CD1-CE1 4.15Å; L1077-F1159 HydrophobicContact CD1-CZ 4.32Å; L1077-F1159 HydrophobicContact CD2-CD1 4.42Å; L1077-F1159 HydrophobicContact CD2-CE1 3.43Å; L1077-F1159 VanDerWaalsContact CD2-CE1 3.43Å; L1077-F1159 HydrophobicContact CD2-CE2 4.4Å; L1077-F1159 HydrophobicContact CD2-CZ 3.42Å; L1077-F1159 VanDerWaalsContact CD2-CZ 3.42Å; L1077-F1159 HydrophobicContact CG-CD1 4.31Å; L1077-F1159 HydrophobicContact CG-CE1 3.62Å; L1077-F1159 HydrophobicContact CG-CE2 3.89Å; L1077-F1159 HydrophobicContact CG-CZ 3.38Å
1078F93Very high91.8Very high2 Ų244.7 Ų44.71%0.00924%0.243CC..EExtended strand (participates in β ladder)trans-128.4134.5180-92.7-103.6000110.7L503 L1016 T1031 Y1032 L1034 Q1076 C1085L503-F1078 HydrophobicContact CD1-CD1 4.25Å; L503-F1078 HydrophobicContact CD1-CE1 4.47Å; L1016-F1078 HydrophobicContact CD1-CE1 4.12Å; L1016-F1078 HydrophobicContact CD1-CE2 4.44Å; L1016-F1078 HydrophobicContact CD1-CZ 3.65Å; L1016-F1078 HydrophobicContact CD2-CE1 3.6Å; L1016-F1078 HydrophobicContact CD2-CZ 3.59Å; L1016-F1078 HydrophobicContact CG-CZ 4.3Å; T1031-F1078 WeakPolarHBondContact CB-O 3.47Å; Y1032-F1078 PolarHBondContact N-O 2.92Å; Y1032-F1078 PolarHBondContact O-N 2.82Å; L1034-F1078 HydrophobicContact CB-CD2 4.35Å; L1034-F1078 HydrophobicContact CB-CE2 4.47Å; L1034-F1078 HydrophobicContact CD1-CD1 4.24Å; L1034-F1078 HydrophobicContact CD1-CD2 3.26Å; L1034-F1078 HydrophobicContact CD1-CE1 4.18Å; L1034-F1078 HydrophobicContact CD1-CE2 3.18Å; L1034-F1078 HydrophobicContact CD1-CG 3.8Å; L1034-F1078 HydrophobicContact CD1-CZ 3.64Å; L1034-F1078 HydrophobicContact CG-CD2 3.57Å; L1034-F1078 HydrophobicContact CG-CE2 3.93Å; L1034-F1078 HydrophobicContact CG-CG 4.16Å; Q1076-F1078 HydrophobicContact CB-CE2 4.3Å; F1078-C1085 HydrophobicContact CE2-CB 4.22Å; F1078-C1085 WeakPolarHBondContact CE2-SG 3.35Å; F1078-C1085 HydrophobicContact CZ-CB 4.24Å; F1078-C1085 WeakPolarHBondContact CZ-SG 3.22Å
1079S90.9Very high91.9Very high7 Ų741.9 Ų41.95%0.04922%0.224CC..  trans-83128.8174.6179.20000110.6E1081 W1083 T1084S1079-E1081 PolarHBondContact O-N 2.68Å; S1079-E1081 PolarHBondContact OG-N 3.2Å; S1079-W1083 WeakPolarHBondContact O-CA 3.21Å; S1079-W1083 PolarHBondContact O-N 3.28Å; S1079-T1084 PolarHBondContact N-O 3Å; S1079-T1084 VanDerWaalsContact N-O 3.16Å
1080P87.7Confident92Very high23 Ų2341.6 Ų41.615%0.14922%0.22CC..THydrogen-bonded Turntrans-71-17.1172.831.1-36.4000112.9H1030 Y1032 W1083H1030-P1080 WeakPolarHBondContact O-CD 3.27Å; H1030-P1080 WeakPolarHBondContact O-CG 3.4Å; Y1032-P1080 HydrophobicContact CD2-CB 4.23Å; Y1032-P1080 HydrophobicContact CE2-CB 3.8Å; P1080-W1083 PolarHBondContact O-NE1 3.24Å
1081E84.5Confident92.1Very high150 Ų15040.9 Ų40.970%0.70122%0.216SC*.THydrogen-bonded Turntrans-79.8-43.5-178.5-63.4176.1-178.800111.6S1079S1079-E1081 PolarHBondContact O-N 2.68Å; S1079-E1081 PolarHBondContact OG-N 3.2Å
1082T86.8Confident92.2Very high67 Ų6744.9 Ų44.941%0.41123%0.234SC..THydrogen-bonded Turntrans-105.9-11.5-177.758.20000113.4T1084 L1154T1082-T1084 WeakPolarHBondContact O-CG2 3.36Å; T1082-T1084 PolarHBondContact O-N 2.84Å; T1082-T1084 PolarHBondContact OG1-OG1 2.89Å; T1082-L1154 HydrophobicContact CG2-CD1 4.1Å; T1082-L1154 HydrophobicContact CG2-CD2 4.34Å
1083W90Very high92.2Very high21 Ų2142.3 Ų42.38%0.0822%0.224CC..  trans53.929.2-172.5-6598000114V492 V505 H1012 V1014 Y1032 S1079 P1080V492-W1083 HydrophobicContact CG1-CZ3 4.38Å; V492-W1083 HydrophobicContact CG2-CH2 3.87Å; V492-W1083 HydrophobicContact CG2-CZ3 4.34Å; V505-W1083 HydrophobicContact CB-CH2 4.24Å; V505-W1083 HydrophobicContact CB-CZ2 4.29Å; V505-W1083 HydrophobicContact CG1-CH2 4.02Å; V505-W1083 HydrophobicContact CG1-CZ2 3.91Å; V505-W1083 HydrophobicContact CG2-CD2 4.16Å; V505-W1083 HydrophobicContact CG2-CE3 3.91Å; V505-W1083 HydrophobicContact CG2-CH2 3.19Å; V505-W1083 HydrophobicContact CG2-CZ2 3.46Å; V505-W1083 VanDerWaalsContact CG2-CZ2 3.46Å; V505-W1083 HydrophobicContact CG2-CZ3 3.43Å; V505-W1083 VanDerWaalsContact CG2-CZ3 3.43Å; H1012-W1083 AromaticContact CE1-CD1 3.59Å; H1012-W1083 AromaticContact CE1-CG 3.8Å; H1012-W1083 AromaticContact ND1-CD1 3.92Å; H1012-W1083 AromaticContact ND1-NE1 3.92Å; V1014-W1083 HydrophobicContact CG1-CB 4.22Å; V1014-W1083 WeakPolarHBondContact CG1-O 3.37Å; V1014-W1083 HydrophobicContact CG2-CB 3.81Å; V1014-W1083 HydrophobicContact CG2-CD2 4.23Å; V1014-W1083 HydrophobicContact CG2-CE3 4.29Å; V1014-W1083 HydrophobicContact CG2-CG 4.04Å; Y1032-W1083 HydrophobicContact CD2-CH2 4.37Å; Y1032-W1083 HydrophobicContact CD2-CZ3 4.09Å; Y1032-W1083 AromaticContact CE2-CH2 3.59Å; Y1032-W1083 HydrophobicContact CE2-CH2 3.59Å; Y1032-W1083 AromaticContact CE2-CZ3 3.77Å; Y1032-W1083 HydrophobicContact CE2-CZ3 3.77Å; S1079-W1083 WeakPolarHBondContact O-CA 3.21Å; S1079-W1083 PolarHBondContact O-N 3.28Å; P1080-W1083 PolarHBondContact O-NE1 3.24Å
1084T91.6Very high92Very high66 Ų6645.2 Ų45.241%0.40524%0.241SC..SBendtrans-112154177.461.10000111.5S1079 T1082 I1086S1079-T1084 PolarHBondContact N-O 3Å; S1079-T1084 VanDerWaalsContact N-O 3.16Å; T1082-T1084 WeakPolarHBondContact O-CG2 3.36Å; T1082-T1084 PolarHBondContact O-N 2.84Å; T1082-T1084 PolarHBondContact OG1-OG1 2.89Å; T1084-I1086 PolarHBondContact O-N 3.1Å
1085C90.4Very high91.7Very high53 Ų5347.3 Ų47.336%0.35825%0.249SC..EExtended strand (participates in β ladder)trans-56.4138167.5-53.20000109.6Q1076 L1077 F1078Q1076-C1085 PolarHBondContact OE1-SG 2.86Å; L1077-C1085 WeakPolarHBondContact O-CA 3.48Å; F1078-C1085 HydrophobicContact CE2-CB 4.22Å; F1078-C1085 WeakPolarHBondContact CE2-SG 3.35Å; F1078-C1085 HydrophobicContact CZ-CB 4.24Å; F1078-C1085 WeakPolarHBondContact CZ-SG 3.22Å
1086I91.7Very high91.5Very high6 Ų648.1 Ų48.13%0.03125%0.253CS..EExtended strand (participates in β ladder)trans-73.9120.5166.7-58.4-176000107.1T1031 L1077 T1084 V1089 L1154 N1157T1031-I1086 HydrophobicContact CG2-CD1 4.07Å; L1077-I1086 HydrophobicContact CB-CB 4.19Å; L1077-I1086 HydrophobicContact CB-CD1 3.8Å; L1077-I1086 HydrophobicContact CB-CG1 4.13Å; L1077-I1086 HydrophobicContact CD1-CD1 4.4Å; L1077-I1086 PolarHBondContact O-N 3.33Å; T1084-I1086 PolarHBondContact O-N 3.1Å; I1086-V1089 HydrophobicContact CG2-CB 4.35Å; I1086-V1089 HydrophobicContact CG2-CG2 3.85Å; I1086-L1154 WeakPolarHBondContact CG2-O 3.36Å; I1086-N1157 HydrophobicContact CD1-CB 4.24Å
1087P87.1Confident91.5Very high47 Ų4746.3 Ų46.331%0.30525%0.245SC..EExtended strand (participates in β ladder)trans-65.7153.4-175.627-33.2000111.2V1089 T1155P1087-V1089 PolarHBondContact O-N 2.71Å; P1087-V1089 VanDerWaalsContact O-N 3.09Å; P1087-T1155 HydrophobicContact CG-CG2 3.74Å
1088N85.2Confident91.6Very high120 Ų12048.1 Ų48.164%0.64225%0.253SS*.EExtended strand (participates in β ladder)trans60.813.6178.1-52.5-30.9000115.5E1149N1088-E1149 PolarHBondContact ND2-OE1 3.35Å; N1088-E1149 PolarHBondContact ND2-OE2 2.78Å
1089V90Very high91.8Very high11 Ų1148.2 Ų48.27%0.06725%0.254CS..EExtended strand (participates in β ladder)trans-119.974.6179.3-173.50000109.5L1077 I1086 P1087 N1157 K1158 F1159L1077-V1089 HydrophobicContact CB-CG1 4.2Å; L1077-V1089 HydrophobicContact CD1-CG1 3.85Å; L1077-V1089 HydrophobicContact CG-CG1 3.9Å; I1086-V1089 HydrophobicContact CG2-CB 4.35Å; I1086-V1089 HydrophobicContact CG2-CG2 3.85Å; P1087-V1089 PolarHBondContact O-N 2.71Å; P1087-V1089 VanDerWaalsContact O-N 3.09Å; V1089-N1157 WeakPolarHBondContact CG2-O 3.39Å; V1089-K1158 HydrophobicContact CG2-CG 4.45Å; V1089-F1159 HydrophobicContact CG1-CB 4.42Å; V1089-F1159 HydrophobicContact CG1-CD2 3.32Å; V1089-F1159 HydrophobicContact CG1-CE2 3.67Å; V1089-F1159 HydrophobicContact CG1-CG 3.9Å; V1089-F1159 HydrophobicContact CG1-CZ 4.5Å
1090E93.6Very high92.1Very high102 Ų10249.3 Ų49.348%0.47726%0.26SS..EExtended strand (participates in β ladder)trans-133.1136.9178.4-178.6165.4-145.700111.4S1074 V1075 Q1076S1074-E1090 WeakPolarHBondContact CB-OE1 3.34Å; S1074-E1090 PolarHBondContact OG-OE1 3.29Å; V1075-E1090 CarbonylContact O-C 3.06Å; V1075-E1090 VanDerWaalsContact O-CA 3.29Å; V1075-E1090 WeakPolarHBondContact O-CA 3.17Å; Q1076-E1090 HydrophobicContact CG-CB 4.2Å; Q1076-E1090 HydrophobicContact CG-CG 3.98Å; Q1076-E1090 VanDerWaalsContact NE2-CD 3.3Å; Q1076-E1090 PolarHBondContact NE2-OE1 3Å
1091I96.2Very high92.6Very high21 Ų2148.8 Ų48.811%0.10826%0.256CS..EExtended strand (participates in β ladder)trans-110.8106.4167.6-53172.8000106.9S1074 V1075 M1093 F1122 V1141 F1159 I1161S1074-I1091 CarbonylContact C-O 3.56Å; S1074-I1091 VanDerWaalsContact CA-O 3.27Å; S1074-I1091 WeakPolarHBondContact CA-O 3.29Å; V1075-I1091 HydrophobicContact CB-CB 4.22Å; V1075-I1091 PolarHBondContact N-O 3.35Å; V1075-I1091 PolarHBondContact O-N 3.35Å; I1091-M1093 HydrophobicContact CB-CE 4.32Å; I1091-M1093 HydrophobicContact CG2-CE 3.71Å; I1091-F1122 HydrophobicContact CD1-CZ 4.31Å; I1091-V1141 HydrophobicContact CD1-CG2 4.21Å; I1091-F1159 HydrophobicContact CD1-CB 4.26Å; I1091-F1159 HydrophobicContact CD1-CD2 3.95Å; I1091-F1159 HydrophobicContact CD1-CE2 4.48Å; I1091-F1159 HydrophobicContact CD1-CG 4.11Å; I1091-F1159 HydrophobicContact CG1-CD2 3.93Å; I1091-F1159 HydrophobicContact CG1-CE2 4.47Å; I1091-F1159 HydrophobicContact CG1-CG 4.49Å; I1091-I1161 HydrophobicContact CD1-CD1 4.11Å; I1091-I1161 HydrophobicContact CD1-CG1 4.1Å; I1091-I1161 HydrophobicContact CG1-CD1 4.45Å; I1091-I1161 HydrophobicContact CG2-CD1 4.49Å
1092Q96.3Very high93.2Very high121 Ų12142.1 Ų42.157%0.56523%0.225SC*.EExtended strand (participates in β ladder)trans-86.6131.8177.6-163.3176.211.200110.1
1093M96.6Very high93.6Very high1 Ų141 Ų411%0.00522%0.218CC..PPolyproline II helixtrans-82.3167.5175.7-58-58146.900110.9R1072 Y1073 V1075 I1091 E1097 I1099 F1122 T1124 F1139R1072-M1093 PolarHBondContact NE-O 3.32Å; R1072-M1093 PolarHBondContact NH2-O 2.69Å; Y1073-M1093 WeakPolarHBondContact O-CB 3.46Å; Y1073-M1093 WeakPolarHBondContact O-CG 3.08Å; Y1073-M1093 PolarHBondContact O-N 3Å; V1075-M1093 HydrophobicContact CG2-CE 3.79Å; I1091-M1093 HydrophobicContact CB-CE 4.32Å; I1091-M1093 HydrophobicContact CG2-CE 3.71Å; M1093-E1097 HydrophobicContact CB-CB 4.27Å; M1093-E1097 HydrophobicContact CB-CG 4.43Å; M1093-I1099 HydrophobicContact CE-CD1 3.95Å; M1093-I1099 HydrophobicContact CE-CG1 4.36Å; M1093-I1099 HydrophobicContact CG-CD1 4.09Å; M1093-I1099 HydrophobicContact CG-CG1 4.03Å; M1093-I1099 HydrophobicContact SD-CG1 4.47Å; M1093-F1122 HydrophobicContact CE-CD2 4.43Å; M1093-F1122 HydrophobicContact CE-CE2 3.43Å; M1093-F1122 VanDerWaalsContact CE-CE2 3.43Å; M1093-F1122 HydrophobicContact CE-CZ 3.88Å; M1093-F1122 HydrophobicContact SD-CE2 4.43Å; M1093-T1124 HydrophobicContact SD-CG2 4.22Å; M1093-F1139 HydrophobicContact SD-CE2 4.35Å; M1093-F1139 HydrophobicContact SD-CZ 4.25Å
1094D94Very high93.9Very high82 Ų8243 Ų4344%0.43923%0.228SC..PPolyproline II helixtrans-75.2165.6174.6-64.7-45.8000111.8F1096 E1097 R1137D1094-F1096 PolarHBondContact O-N 3.49Å; D1094-E1097 HydrophobicContact CB-CB 4.16Å; D1094-E1097 PolarHBondContact N-OE2 3Å; D1094-E1097 PolarHBondContact O-N 3.49Å; D1094-E1097 VanDerWaalsContact O-N 3.12Å; D1094-R1137 IonicContact OD2-CZ 2.8Å; D1094-R1137 IonicContact OD2-NH1 3.67Å; D1094-R1137 IonicContact OD2-NH2 2.78Å; D1094-R1137 PolarHBondContact OD2-NH2 2.93Å
1095E90.8Very high94.1Very high56 Ų5639.9 Ų39.926%0.26221%0.209SC..THydrogen-bonded Turntrans-52.8-53.4-172.1-173.3174.5171.100111.9C1042 L1070 R1072 E1097C1042-E1095 PolarHBondContact SG-OE1 3.18Å; L1070-E1095 HydrophobicContact CD2-CG 4.4Å; L1070-E1095 WeakPolarHBondContact CD2-O 3.34Å; R1072-E1095 VanDerWaalsContact NH1-CA 3.3Å; R1072-E1095 VanDerWaalsContact NH1-N 3.2Å; E1095-E1097 VanDerWaalsContact C-N 3.3Å; E1095-E1097 PolarHBondContact O-N 2.91Å
1096F93.6Very high94.3Very high17 Ų1742 Ų428%0.07521%0.214CC..THydrogen-bonded Turntrans-89.312-176.7-61.8-82.9000114.1V1046 F1055 L1070 D1094 H1098 C1126 N1127 Y1128V1046-F1096 HydrophobicContact CG2-CD2 4.44Å; V1046-F1096 HydrophobicContact CG2-CE1 4.4Å; V1046-F1096 HydrophobicContact CG2-CE2 3.88Å; V1046-F1096 HydrophobicContact CG2-CZ 3.86Å; F1055-F1096 HydrophobicContact CD1-CE2 4.02Å; F1055-F1096 AromaticContact CE1-CD2 3.92Å; F1055-F1096 HydrophobicContact CE1-CD2 3.92Å; F1055-F1096 AromaticContact CE1-CE2 3.71Å; F1055-F1096 HydrophobicContact CE1-CE2 3.71Å; L1070-F1096 HydrophobicContact CD1-CD1 3.87Å; L1070-F1096 HydrophobicContact CD1-CE1 4.04Å; D1094-F1096 PolarHBondContact O-N 3.49Å; F1096-H1098 PolarHBondContact O-CD2 3.32Å; F1096-C1126 CarbonylContact O-C 3.53Å; F1096-C1126 VanDerWaalsContact O-CA 3.25Å; F1096-C1126 WeakPolarHBondContact O-CA 3.29Å; F1096-N1127 WeakPolarHBondContact CD1-O 3.38Å; F1096-N1127 PolarHBondContact O-N 2.88Å; F1096-Y1128 HydrophobicContact CB-CD1 3.54Å; F1096-Y1128 HydrophobicContact CB-CE1 3.45Å; F1096-Y1128 VanDerWaalsContact CB-CE1 3.45Å; F1096-Y1128 HydrophobicContact CB-CG 4.41Å; F1096-Y1128 HydrophobicContact CD1-CD1 4.07Å; F1096-Y1128 AromaticContact CD2-CD1 3.67Å; F1096-Y1128 HydrophobicContact CD2-CD1 3.67Å; F1096-Y1128 AromaticContact CD2-CE1 3.65Å; F1096-Y1128 HydrophobicContact CD2-CE1 3.65Å; F1096-Y1128 HydrophobicContact CE2-CD1 4.42Å; F1096-Y1128 AromaticContact CG-CD1 3.46Å; F1096-Y1128 HydrophobicContact CG-CD1 3.46Å; F1096-Y1128 VanDerWaalsContact CG-CD1 3.46Å; F1096-Y1128 AromaticContact CG-CE1 3.69Å; F1096-Y1128 HydrophobicContact CG-CE1 3.69Å
1097E96.3Very high94.5Very high0 Ų041.8 Ų41.80%021%0.213CC..EExtended strand (participates in β ladder)trans-103.8118.8-173.2-172.2-178.4-15100112.6M1093 D1094 E1095 T1124 M1125 R1137M1093-E1097 HydrophobicContact CB-CB 4.27Å; M1093-E1097 HydrophobicContact CB-CG 4.43Å; D1094-E1097 HydrophobicContact CB-CB 4.16Å; D1094-E1097 PolarHBondContact N-OE2 3Å; D1094-E1097 PolarHBondContact O-N 3.49Å; D1094-E1097 VanDerWaalsContact O-N 3.12Å; E1095-E1097 VanDerWaalsContact C-N 3.3Å; E1095-E1097 PolarHBondContact O-N 2.91Å; E1097-T1124 HydrophobicContact CG-CG2 4.03Å; E1097-T1124 WeakPolarHBondContact OE1-CB 3.34Å; E1097-T1124 PolarHBondContact OE1-OG1 2.94Å; E1097-M1125 WeakPolarHBondContact CA-O 3.43Å; E1097-R1137 IonicContact OE1-CZ 2.79Å; E1097-R1137 IonicContact OE1-NE 2.74Å; E1097-R1137 PolarHBondContact OE1-NE 2.91Å; E1097-R1137 IonicContact OE1-NH2 3.09Å; E1097-R1137 PolarHBondContact OE1-NH2 3Å; E1097-R1137 IonicContact OE2-CZ 3.88Å; E1097-R1137 IonicContact OE2-NE 3.69Å; E1097-R1137 IonicContact OE2-NH2 2.6Å; E1097-R1137 PolarHBondContact OE2-NH2 2.87Å
1098H96.8Very high94.8Very high37 Ų3743.3 Ų43.317%0.17121%0.214CC..EExtended strand (participates in β ladder)trans-108.4133.4-176.8-62.3-100000110.6Y1073 F1096 T1124 M1125Y1073-H1098 HydrophobicContact CD2-CB 4.31Å; Y1073-H1098 AromaticContact CD2-ND1 3.95Å; Y1073-H1098 HydrophobicContact CE2-CB 4.01Å; Y1073-H1098 AromaticContact CE2-CG 3.91Å; Y1073-H1098 AromaticContact CE2-ND1 3.25Å; Y1073-H1098 VanDerWaalsContact CE2-ND1 3.25Å; Y1073-H1098 WeakPolarHBondContact CE2-ND1 3.36Å; F1096-H1098 PolarHBondContact O-CD2 3.32Å; H1098-T1124 CarbonylContact O-C 3.59Å; H1098-T1124 WeakPolarHBondContact O-CA 3.5Å; H1098-T1124 WeakPolarHBondContact O-CB 3.46Å; H1098-M1125 HydrophobicContact CB-CG 4.18Å; H1098-M1125 PolarHBondContact N-O 2.75Å; H1098-M1125 PolarHBondContact O-N 3.2Å
1099I98.2Very high95.1Very high5 Ų538.6 Ų38.63%0.02619%0.191CC..EExtended strand (participates in β ladder)trans-77.6126.3169.9-58.4171.1000108.3F1022 A1035 Y1073 V1075 M1093 F1102 T1124F1022-I1099 HydrophobicContact CD2-CG2 4.16Å; F1022-I1099 HydrophobicContact CE2-CG2 4.09Å; A1035-I1099 HydrophobicContact CB-CD1 3.84Å; A1035-I1099 HydrophobicContact CB-CG2 4.27Å; Y1073-I1099 HydrophobicContact CD1-CB 3.71Å; Y1073-I1099 HydrophobicContact CD1-CD1 4.08Å; Y1073-I1099 HydrophobicContact CD1-CG1 3.91Å; Y1073-I1099 HydrophobicContact CE1-CB 4.18Å; Y1073-I1099 HydrophobicContact CG-CB 4.41Å; Y1073-I1099 HydrophobicContact CG-CD1 4.48Å; Y1073-I1099 HydrophobicContact CG-CG1 4.22Å; V1075-I1099 HydrophobicContact CG2-CD1 3.48Å; V1075-I1099 VanDerWaalsContact CG2-CD1 3.48Å; M1093-I1099 HydrophobicContact CE-CD1 3.95Å; M1093-I1099 HydrophobicContact CE-CG1 4.36Å; M1093-I1099 HydrophobicContact CG-CD1 4.09Å; M1093-I1099 HydrophobicContact CG-CG1 4.03Å; M1093-I1099 HydrophobicContact SD-CG1 4.47Å; I1099-F1102 HydrophobicContact CG2-CB 4.32Å; I1099-F1102 HydrophobicContact CG2-CD2 4.4Å; I1099-T1124 HydrophobicContact CG1-CG2 4.15Å
1100T96.9Very high95Very high30 Ų3046 Ų4618%0.18423%0.225CC..EExtended strand (participates in β ladder)trans-111-27-17349.20000112.6F1022 G1123 M1125 V1171F1022-T1100 WeakPolarHBondContact CZ-O 3.32Å; T1100-G1123 PolarHBondContact N-O 3.04Å; T1100-G1123 PolarHBondContact OG1-O 2.78Å; T1100-M1125 HydrophobicContact CG2-CB 4.01Å; T1100-M1125 HydrophobicContact CG2-CE 3.34Å; T1100-M1125 HydrophobicContact CG2-CG 3.54Å; T1100-M1125 HydrophobicContact CG2-SD 4.13Å; T1100-V1171 WeakPolarHBondContact CB-O 3.12Å; T1100-V1171 PolarHBondContact OG1-O 2.9Å
1101V97.2Very high94.4Very high12 Ų1245.4 Ų45.47%0.07323%0.232CC..EExtended strand (participates in β ladder)trans-151.4138.2179.856.40000109.6F1122 G1123 V1171 L1174V1101-F1122 CarbonylContact O-C 3.53Å; V1101-F1122 WeakPolarHBondContact O-CA 3.4Å; V1101-F1122 WeakPolarHBondContact O-CB 3.42Å; V1101-G1123 PolarHBondContact O-N 3.24Å; V1101-V1171 HydrophobicContact CG1-CG1 4.28Å; V1101-L1174 HydrophobicContact CG1-CB 4.25Å; V1101-L1174 HydrophobicContact CG1-CD1 3.76Å; V1101-L1174 HydrophobicContact CG1-CG 3.61Å; V1101-L1174 HydrophobicContact CG2-CB 3.84Å; V1101-L1174 HydrophobicContact CG2-CD1 4.4Å; V1101-L1174 HydrophobicContact CG2-CG 4.15Å
1102F97.9Very high93.9Very high10 Ų1046.5 Ų46.54%0.04424%0.24CC..EExtended strand (participates in β ladder)trans-147.6114.4-172.7-171.2-93.7000108.7F1022 V1024 A1033 A1035 V1075 I1099 L1120 F1122F1022-F1102 HydrophobicContact CB-CB 3.62Å; F1022-F1102 HydrophobicContact CB-CD1 3.81Å; F1022-F1102 HydrophobicContact CB-CG 3.96Å; F1022-F1102 HydrophobicContact CD1-CB 4.31Å; F1022-F1102 HydrophobicContact CD2-CB 3.8Å; F1022-F1102 HydrophobicContact CG-CB 3.64Å; F1022-F1102 HydrophobicContact CG-CG 4.46Å; V1024-F1102 HydrophobicContact CB-CD1 4.26Å; V1024-F1102 HydrophobicContact CB-CE1 4.09Å; V1024-F1102 HydrophobicContact CG2-CD1 3.61Å; V1024-F1102 HydrophobicContact CG2-CE1 3.96Å; A1033-F1102 HydrophobicContact CB-CE1 3.87Å; A1033-F1102 HydrophobicContact CB-CZ 3.71Å; A1033-F1102 WeakPolarHBondContact O-CE1 3.33Å; A1035-F1102 HydrophobicContact CB-CD2 3.93Å; A1035-F1102 HydrophobicContact CB-CE2 4.2Å; A1035-F1102 HydrophobicContact CB-CG 4.15Å; V1075-F1102 HydrophobicContact CB-CE2 4.37Å; V1075-F1102 HydrophobicContact CG1-CE2 3.59Å; V1075-F1102 HydrophobicContact CG1-CZ 3.78Å; V1075-F1102 HydrophobicContact CG2-CD2 4.47Å; V1075-F1102 HydrophobicContact CG2-CE2 3.82Å; I1099-F1102 HydrophobicContact CG2-CB 4.32Å; I1099-F1102 HydrophobicContact CG2-CD2 4.4Å; F1102-L1120 HydrophobicContact CD1-CD1 4.38Å; F1102-L1120 HydrophobicContact CE1-CD1 3.83Å; F1102-L1120 HydrophobicContact CE2-CD1 4.14Å; F1102-L1120 HydrophobicContact CE2-CD2 4.13Å; F1102-L1120 HydrophobicContact CE2-CG 4.42Å; F1102-L1120 HydrophobicContact CZ-CD1 3.71Å; F1102-L1120 HydrophobicContact CZ-CD2 3.81Å; F1102-L1120 HydrophobicContact CZ-CG 4.25Å; F1102-F1122 HydrophobicContact CB-CB 4.26Å; F1102-F1122 HydrophobicContact CD2-CB 3.51Å; F1102-F1122 HydrophobicContact CD2-CD1 4.02Å; F1102-F1122 AromaticContact CD2-CG 3.87Å; F1102-F1122 HydrophobicContact CD2-CG 3.87Å; F1102-F1122 HydrophobicContact CE2-CB 4.27Å; F1102-F1122 AromaticContact CE2-CD1 3.91Å; F1102-F1122 HydrophobicContact CE2-CD1 3.91Å; F1102-F1122 HydrophobicContact CE2-CG 4.2Å; F1102-F1122 HydrophobicContact CG-CB 4.26Å
1103T96.2Very high93.4Very high43 Ų4348.5 Ų48.526%0.26426%0.26SS..EExtended strand (participates in β ladder)trans-158.6153.1-170.5-170.20000112.6V1105 A1121 L1174T1103-V1105 HydrophobicContact CG2-CG1 4.02Å; T1103-A1121 PolarHBondContact N-O 3.41Å; T1103-A1121 PolarHBondContact O-N 3.1Å; T1103-L1174 HydrophobicContact CG2-CB 3.82Å
1104E95.8Very high93Very high62 Ų6252.3 Ų52.329%0.2929%0.287SS..EExtended strand (participates in β ladder)trans-81.8132.9169-173.1-177.4-144.700109.8V1024 L1026 N1118 Y1119V1024-E1104 HydrophobicContact CG1-CB 3.9Å; L1026-E1104 HydrophobicContact CD2-CB 4.3Å; L1026-E1104 HydrophobicContact CD2-CG 4.22Å; E1104-N1118 HydrophobicContact CG-CB 4.35Å; E1104-Y1119 CarbonylContact C-O 3.52Å; E1104-Y1119 WeakPolarHBondContact CA-O 3.37Å
1105V95.8Very high92.9Very high2 Ų249.7 Ų49.71%0.01228%0.279CS..EExtended strand (participates in β ladder)trans-124.6131.4-178.6-68.40000111T1103 L1107 N1118 Y1119 A1121 A1176 L1181T1103-V1105 HydrophobicContact CG2-CG1 4.02Å; V1105-L1107 HydrophobicContact CB-CD2 4.23Å; V1105-L1107 HydrophobicContact CB-CG 4.4Å; V1105-L1107 HydrophobicContact CG2-CD1 4.11Å; V1105-L1107 HydrophobicContact CG2-CD2 4.25Å; V1105-L1107 HydrophobicContact CG2-CG 4.03Å; V1105-N1118 WeakPolarHBondContact O-CA 3.45Å; V1105-Y1119 WeakPolarHBondContact CG2-O 3.33Å; V1105-Y1119 PolarHBondContact N-O 2.94Å; V1105-Y1119 PolarHBondContact O-N 2.77Å; V1105-A1121 HydrophobicContact CB-CB 4.47Å; V1105-A1121 HydrophobicContact CG1-CB 4.11Å; V1105-A1121 HydrophobicContact CG2-CB 3.49Å; V1105-A1121 VanDerWaalsContact CG2-CB 3.49Å; V1105-A1176 HydrophobicContact CB-CB 3.95Å; V1105-A1176 HydrophobicContact CG1-CB 4.18Å; V1105-L1181 HydrophobicContact CB-CD1 4.32Å; V1105-L1181 HydrophobicContact CG1-CD1 3.91Å; V1105-L1181 HydrophobicContact CG2-CD1 4.24Å
1106Q94.7Very high92.9Very high98 Ų9850.3 Ų50.346%0.45828%0.281SS..EExtended strand (participates in β ladder)trans-93.8111.5173-174.7170.857.500109.9F1116 E1117 N1118 G1179Q1106-F1116 HydrophobicContact CG-CB 3.64Å; Q1106-F1116 HydrophobicContact CG-CD1 4.23Å; Q1106-F1116 HydrophobicContact CG-CG 4.17Å; Q1106-E1117 WeakPolarHBondContact CA-O 3.31Å; Q1106-N1118 VanDerWaalsContact CB-OD1 3.31Å; Q1106-N1118 WeakPolarHBondContact CB-OD1 3.33Å; Q1106-N1118 WeakPolarHBondContact CG-OD1 3.44Å; Q1106-G1179 WeakPolarHBondContact O-CA 3.46Å
1107L95.5Very high92.9Very high1 Ų151 Ų511%0.00529%0.285CS..EExtended strand (participates in β ladder)trans-112.6156-175.6-54.8-178000111.2V1105 S1109 F1116 E1117 Y1119 I1140 A1176 G1179 L1181 F1194V1105-L1107 HydrophobicContact CB-CD2 4.23Å; V1105-L1107 HydrophobicContact CB-CG 4.4Å; V1105-L1107 HydrophobicContact CG2-CD1 4.11Å; V1105-L1107 HydrophobicContact CG2-CD2 4.25Å; V1105-L1107 HydrophobicContact CG2-CG 4.03Å; L1107-S1109 PolarHBondContact O-N 3.3Å; L1107-F1116 CarbonylContact O-C 3.31Å; L1107-F1116 WeakPolarHBondContact O-CA 3.5Å; L1107-E1117 PolarHBondContact N-O 2.89Å; L1107-E1117 PolarHBondContact O-N 2.98Å; L1107-Y1119 HydrophobicContact CB-CD2 4.01Å; L1107-Y1119 HydrophobicContact CB-CE2 4.01Å; L1107-Y1119 HydrophobicContact CD1-CD2 3.78Å; L1107-Y1119 HydrophobicContact CD1-CE2 4.28Å; L1107-Y1119 HydrophobicContact CG-CD2 3.96Å; L1107-Y1119 HydrophobicContact CG-CE2 4.44Å; L1107-I1140 HydrophobicContact CD1-CD1 4.39Å; L1107-A1176 HydrophobicContact CD2-CB 4.24Å; L1107-G1179 WeakPolarHBondContact CA-O 3.46Å; L1107-L1181 HydrophobicContact CD1-CB 4.45Å; L1107-L1181 HydrophobicContact CD2-CB 3.76Å; L1107-L1181 HydrophobicContact CD2-CD1 4.37Å; L1107-F1194 HydrophobicContact CD1-CB 3.82Å; L1107-F1194 HydrophobicContact CD1-CD1 3.97Å; L1107-F1194 HydrophobicContact CD1-CG 4.09Å
1108K93.3Very high92.8Very high78 Ų7852.5 Ų52.534%0.33929%0.293SS..EExtended strand (participates in β ladder)trans-63.7130174.9-76.5-177.9179.71720109.8G1115 F1116 N1178 G1179 Y1180K1108-G1115 WeakPolarHBondContact CA-O 3.41Å; K1108-F1116 HydrophobicContact CG-CD1 4.3Å; K1108-F1116 HydrophobicContact CG-CE1 3.96Å; K1108-N1178 WeakPolarHBondContact CE-O 3.44Å; K1108-G1179 PolarHBondContact N-O 2.99Å; K1108-Y1180 PolarHBondContact NZ-OH 3.08Å
1109S90.9Very high92.8Very high22 Ų2251.4 Ų51.415%0.15429%0.287CS..  trans-136.7139176.1-1690000110.5L1107 S1111 G1115 E1117L1107-S1109 PolarHBondContact O-N 3.3Å; S1109-S1111 VanDerWaalsContact C-N 3.3Å; S1109-S1111 PolarHBondContact OG-N 3.38Å; S1109-S1111 PolarHBondContact OG-OG 3.39Å; S1109-G1115 PolarHBondContact N-O 2.91Å; S1109-G1115 CarbonylContact O-C 3.54Å; S1109-G1115 VanDerWaalsContact O-C 3.29Å; S1109-G1115 WeakPolarHBondContact O-CA 3.47Å; S1109-E1117 WeakPolarHBondContact CB-OE2 3.33Å; S1109-E1117 PolarHBondContact OG-OE2 3.23Å
1110E87.7Confident92.8Very high166 Ų16651.3 Ų51.378%0.77629%0.287SS*.SBendtrans-83.4-10.2174.5-68.3174.4-16800111.6K1195E1110-K1195 IonicContact OE1-NZ 2.66Å; E1110-K1195 PolarHBondContact OE1-NZ 2.92Å; E1110-K1195 IonicContact OE2-NZ 3.4Å; E1110-K1195 PolarHBondContact OE2-NZ 2.79Å
1111S82.7Confident92.8Very high89 Ų8949.9 Ų49.962%0.62228%0.278SS*.SBendtrans-80-25-177.669.40000113.2S1109 E1117S1109-S1111 VanDerWaalsContact C-N 3.3Å; S1109-S1111 PolarHBondContact OG-N 3.38Å; S1109-S1111 PolarHBondContact OG-OG 3.39Å; S1111-E1117 PolarHBondContact OG-OE2 2.88Å
1112T85.5Confident92.9Very high45 Ų4549.3 Ų49.328%0.27628%0.275SS..SBendtrans-106147.1-173.565.90000112.1S1114 G1115 F1116 E1117T1112-S1114 VanDerWaalsContact C-N 3.27Å; T1112-S1114 PolarHBondContact O-N 2.8Å; T1112-S1114 PolarHBondContact OG1-OG 3.44Å; T1112-G1115 PolarHBondContact O-N 2.89Å; T1112-G1115 PolarHBondContact OG1-N 2.79Å; T1112-F1116 WeakPolarHBondContact CB-O 3.45Å; T1112-F1116 WeakPolarHBondContact CG2-O 3.13Å; T1112-F1116 VanDerWaalsContact OG1-C 3.24Å; T1112-F1116 PolarHBondContact OG1-N 2.72Å; T1112-F1116 PolarHBondContact OG1-O 3.44Å; T1112-E1117 HydrophobicContact CG2-CB 4.04Å; T1112-E1117 HydrophobicContact CG2-CG 4.14Å
1113V85.4Confident92.9Very high162 Ų16248.9 Ų48.998%0.98227%0.272SS*.THydrogen-bonded Turntrans-65.8-31.5180-177.50000112.1G1115V1113-G1115 PolarHBondContact O-N 2.75Å
1114S87.5Confident93Very high81 Ų8146.8 Ų46.857%0.56626%0.26SS*.THydrogen-bonded Turntrans-68.5-19174.656.40000112.8T1112 F1116T1112-S1114 VanDerWaalsContact C-N 3.27Å; T1112-S1114 PolarHBondContact O-N 2.8Å; T1112-S1114 PolarHBondContact OG1-OG 3.44Å; S1114-F1116 VanDerWaalsContact O-CD2 3.31Å; S1114-F1116 WeakPolarHBondContact O-CD2 3.49Å; S1114-F1116 PolarHBondContact OG-N 2.79Å; S1114-F1116 PolarHBondContact OG-O 2.82Å
1115G91.5Very high93Very high28 Ų2845.5 Ų45.529%0.28925%0.254SS..SBendtrans76.59.1-169.500000113.8K1108 S1109 T1112 V1113K1108-G1115 WeakPolarHBondContact CA-O 3.41Å; S1109-G1115 PolarHBondContact N-O 2.91Å; S1109-G1115 CarbonylContact O-C 3.54Å; S1109-G1115 VanDerWaalsContact O-C 3.29Å; S1109-G1115 WeakPolarHBondContact O-CA 3.47Å; T1112-G1115 PolarHBondContact O-N 2.89Å; T1112-G1115 PolarHBondContact OG1-N 2.79Å; V1113-G1115 PolarHBondContact O-N 2.75Å
1116F92.6Very high92.9Very high68 Ų6846 Ų4630%0.29826%0.258SS..EExtended strand (participates in β ladder)trans-136.2146.3179.9-60-81.5000111.9Q1106 L1107 K1108 T1112 S1114Q1106-F1116 HydrophobicContact CG-CB 3.64Å; Q1106-F1116 HydrophobicContact CG-CD1 4.23Å; Q1106-F1116 HydrophobicContact CG-CG 4.17Å; L1107-F1116 CarbonylContact O-C 3.31Å; L1107-F1116 WeakPolarHBondContact O-CA 3.5Å; K1108-F1116 HydrophobicContact CG-CD1 4.3Å; K1108-F1116 HydrophobicContact CG-CE1 3.96Å; T1112-F1116 WeakPolarHBondContact CB-O 3.45Å; T1112-F1116 WeakPolarHBondContact CG2-O 3.13Å; T1112-F1116 VanDerWaalsContact OG1-C 3.24Å; T1112-F1116 PolarHBondContact OG1-N 2.72Å; T1112-F1116 PolarHBondContact OG1-O 3.44Å; S1114-F1116 VanDerWaalsContact O-CD2 3.31Å; S1114-F1116 WeakPolarHBondContact O-CD2 3.49Å; S1114-F1116 PolarHBondContact OG-N 2.79Å; S1114-F1116 PolarHBondContact OG-O 2.82Å
1117E93.3Very high92.7Very high32 Ų3244.7 Ų44.715%0.1525%0.254CS..EExtended strand (participates in β ladder)trans-135.5143.8178.3-165.6174.8145.100108.7Q1106 L1107 S1109 S1111 T1112 Y1119Q1106-E1117 WeakPolarHBondContact CA-O 3.31Å; L1107-E1117 PolarHBondContact N-O 2.89Å; L1107-E1117 PolarHBondContact O-N 2.98Å; S1109-E1117 WeakPolarHBondContact CB-OE2 3.33Å; S1109-E1117 PolarHBondContact OG-OE2 3.23Å; S1111-E1117 PolarHBondContact OG-OE2 2.88Å; T1112-E1117 HydrophobicContact CG2-CB 4.04Å; T1112-E1117 HydrophobicContact CG2-CG 4.14Å; E1117-Y1119 HydrophobicContact CB-CE2 3.89Å; E1117-Y1119 VanDerWaalsContact CD-CZ 3.47Å; E1117-Y1119 HydrophobicContact CG-CE1 4.08Å; E1117-Y1119 HydrophobicContact CG-CE2 4.18Å; E1117-Y1119 VanDerWaalsContact OE1-CE1 3.31Å; E1117-Y1119 WeakPolarHBondContact OE1-CE1 3.46Å; E1117-Y1119 PolarHBondContact OE1-OH 2.78Å; E1117-Y1119 PolarHBondContact OE2-OH 2.9Å
1118N94.3Very high92.4Very high32 Ų3246.7 Ų46.717%0.17126%0.262CS..EExtended strand (participates in β ladder)trans-94.4137.5-179.1-62.4-43.8000109.9E1028 E1104 V1105 Q1106E1028-N1118 WeakPolarHBondContact OE1-CB 3.49Å; E1028-N1118 PolarHBondContact OE1-ND2 3.23Å; E1104-N1118 HydrophobicContact CG-CB 4.35Å; V1105-N1118 WeakPolarHBondContact O-CA 3.45Å; Q1106-N1118 VanDerWaalsContact CB-OD1 3.31Å; Q1106-N1118 WeakPolarHBondContact CB-OD1 3.33Å; Q1106-N1118 WeakPolarHBondContact CG-OD1 3.44Å
1119Y96.3Very high92Very high14 Ų1444.5 Ų44.56%0.05526%0.261CS..EExtended strand (participates in β ladder)trans-134149.6177.4-57.7-75.1000110E1104 V1105 L1107 E1117 I1140 D1142 L1162 F1194E1104-Y1119 CarbonylContact C-O 3.52Å; E1104-Y1119 WeakPolarHBondContact CA-O 3.37Å; V1105-Y1119 WeakPolarHBondContact CG2-O 3.33Å; V1105-Y1119 PolarHBondContact N-O 2.94Å; V1105-Y1119 PolarHBondContact O-N 2.77Å; L1107-Y1119 HydrophobicContact CB-CD2 4.01Å; L1107-Y1119 HydrophobicContact CB-CE2 4.01Å; L1107-Y1119 HydrophobicContact CD1-CD2 3.78Å; L1107-Y1119 HydrophobicContact CD1-CE2 4.28Å; L1107-Y1119 HydrophobicContact CG-CD2 3.96Å; L1107-Y1119 HydrophobicContact CG-CE2 4.44Å; E1117-Y1119 HydrophobicContact CB-CE2 3.89Å; E1117-Y1119 VanDerWaalsContact CD-CZ 3.47Å; E1117-Y1119 HydrophobicContact CG-CE1 4.08Å; E1117-Y1119 HydrophobicContact CG-CE2 4.18Å; E1117-Y1119 VanDerWaalsContact OE1-CE1 3.31Å; E1117-Y1119 WeakPolarHBondContact OE1-CE1 3.46Å; E1117-Y1119 PolarHBondContact OE1-OH 2.78Å; E1117-Y1119 PolarHBondContact OE2-OH 2.9Å; Y1119-I1140 HydrophobicContact CD1-CG2 4.28Å; Y1119-I1140 HydrophobicContact CG-CG2 3.93Å; Y1119-D1142 HydrophobicContact CD1-CB 4.19Å; Y1119-D1142 HydrophobicContact CE1-CB 4.43Å; Y1119-L1162 HydrophobicContact CD1-CD1 3.95Å; Y1119-L1162 HydrophobicContact CE1-CD1 3.62Å; Y1119-F1194 HydrophobicContact CE1-CE1 4.42Å; Y1119-F1194 HydrophobicContact CE2-CD1 4.04Å; Y1119-F1194 HydrophobicContact CE2-CE1 4.08Å; Y1119-F1194 AromaticContact CZ-CE1 3.99Å
1120L97.7Very high91.6Very high3 Ų351.9 Ų51.92%0.01630%0.299CS..EExtended strand (participates in β ladder)trans-79.7120.6164.7178.765.5000108.4L1026 A1033 F1102 F1122 V1141 F1159L1026-L1120 HydrophobicContact CD2-CB 4.36Å; L1026-L1120 HydrophobicContact CD2-CD1 4.33Å; A1033-L1120 HydrophobicContact CB-CD1 4.29Å; A1033-L1120 HydrophobicContact CB-CD2 3.83Å; F1102-L1120 HydrophobicContact CD1-CD1 4.38Å; F1102-L1120 HydrophobicContact CE1-CD1 3.83Å; F1102-L1120 HydrophobicContact CE2-CD1 4.14Å; F1102-L1120 HydrophobicContact CE2-CD2 4.13Å; F1102-L1120 HydrophobicContact CE2-CG 4.42Å; F1102-L1120 HydrophobicContact CZ-CD1 3.71Å; F1102-L1120 HydrophobicContact CZ-CD2 3.81Å; F1102-L1120 HydrophobicContact CZ-CG 4.25Å; L1120-F1122 HydrophobicContact CG-CD1 4.42Å; L1120-V1141 HydrophobicContact CB-CB 4.39Å; L1120-V1141 PolarHBondContact N-O 2.8Å; L1120-V1141 PolarHBondContact O-N 3.41Å; L1120-F1159 HydrophobicContact CD2-CE1 3.76Å; L1120-F1159 HydrophobicContact CD2-CZ 4.32Å
1121A98.1Very high91.3Very high0 Ų051.3 Ų51.30%030%0.296CS..EExtended strand (participates in β ladder)trans-123136.3176.100000111.3T1103 V1105 F1139 L1174T1103-A1121 PolarHBondContact N-O 3.41Å; T1103-A1121 PolarHBondContact O-N 3.1Å; V1105-A1121 HydrophobicContact CB-CB 4.47Å; V1105-A1121 HydrophobicContact CG1-CB 4.11Å; V1105-A1121 HydrophobicContact CG2-CB 3.49Å; V1105-A1121 VanDerWaalsContact CG2-CB 3.49Å; A1121-F1139 VanDerWaalsContact CA-O 3.28Å; A1121-F1139 WeakPolarHBondContact CA-O 3.45Å; A1121-L1174 HydrophobicContact CB-CD1 4.2Å
1122F98.2Very high91.6Very high0 Ų047.5 Ų47.50%027%0.269CS..EExtended strand (participates in β ladder)trans-145.1150.1177.460.7-90.8000112V1075 I1091 M1093 V1101 F1102 L1120 T1124 F1139 V1141V1075-F1122 HydrophobicContact CG2-CE1 4.34Å; V1075-F1122 HydrophobicContact CG2-CE2 4.26Å; V1075-F1122 HydrophobicContact CG2-CZ 4.09Å; I1091-F1122 HydrophobicContact CD1-CZ 4.31Å; M1093-F1122 HydrophobicContact CE-CD2 4.43Å; M1093-F1122 HydrophobicContact CE-CE2 3.43Å; M1093-F1122 VanDerWaalsContact CE-CE2 3.43Å; M1093-F1122 HydrophobicContact CE-CZ 3.88Å; M1093-F1122 HydrophobicContact SD-CE2 4.43Å; V1101-F1122 CarbonylContact O-C 3.53Å; V1101-F1122 WeakPolarHBondContact O-CA 3.4Å; V1101-F1122 WeakPolarHBondContact O-CB 3.42Å; F1102-F1122 HydrophobicContact CB-CB 4.26Å; F1102-F1122 HydrophobicContact CD2-CB 3.51Å; F1102-F1122 HydrophobicContact CD2-CD1 4.02Å; F1102-F1122 AromaticContact CD2-CG 3.87Å; F1102-F1122 HydrophobicContact CD2-CG 3.87Å; F1102-F1122 HydrophobicContact CE2-CB 4.27Å; F1102-F1122 AromaticContact CE2-CD1 3.91Å; F1102-F1122 HydrophobicContact CE2-CD1 3.91Å; F1102-F1122 HydrophobicContact CE2-CG 4.2Å; F1102-F1122 HydrophobicContact CG-CB 4.26Å; L1120-F1122 HydrophobicContact CG-CD1 4.42Å; F1122-T1124 HydrophobicContact CD2-CG2 4.44Å; F1122-F1139 HydrophobicContact CD1-CB 3.89Å; F1122-F1139 HydrophobicContact CD2-CB 3.8Å; F1122-F1139 AromaticContact CD2-CD2 3.62Å; F1122-F1139 HydrophobicContact CD2-CD2 3.62Å; F1122-F1139 HydrophobicContact CD2-CE2 4.42Å; F1122-F1139 AromaticContact CD2-CG 3.9Å; F1122-F1139 HydrophobicContact CD2-CG 3.9Å; F1122-F1139 HydrophobicContact CE1-CB 3.58Å; F1122-F1139 HydrophobicContact CE1-CG 4.14Å; F1122-F1139 HydrophobicContact CE2-CB 3.48Å; F1122-F1139 VanDerWaalsContact CE2-CB 3.48Å; F1122-F1139 AromaticContact CE2-CD1 3.9Å; F1122-F1139 HydrophobicContact CE2-CD1 3.9Å; F1122-F1139 AromaticContact CE2-CD2 3.17Å; F1122-F1139 HydrophobicContact CE2-CD2 3.17Å; F1122-F1139 HydrophobicContact CE2-CE1 4.4Å; F1122-F1139 AromaticContact CE2-CE2 3.77Å; F1122-F1139 HydrophobicContact CE2-CE2 3.77Å; F1122-F1139 AromaticContact CE2-CG 3.23Å; F1122-F1139 HydrophobicContact CE2-CG 3.23Å; F1122-F1139 HydrophobicContact CE2-CZ 4.35Å; F1122-F1139 HydrophobicContact CG-CB 3.99Å; F1122-F1139 HydrophobicContact CZ-CB 3.36Å; F1122-F1139 AromaticContact CZ-CD1 3.73Å; F1122-F1139 HydrophobicContact CZ-CD1 3.73Å; F1122-F1139 AromaticContact CZ-CD2 3.86Å; F1122-F1139 HydrophobicContact CZ-CD2 3.86Å; F1122-F1139 HydrophobicContact CZ-CE1 4.44Å; F1122-F1139 AromaticContact CZ-CG 3.38Å; F1122-F1139 HydrophobicContact CZ-CG 3.38Å; F1122-F1139 PolarHBondContact N-O 3.13Å; F1122-F1139 VanDerWaalsContact N-O 3.11Å; F1122-F1139 PolarHBondContact O-N 3.09Å; F1122-V1141 HydrophobicContact CE1-CG2 3.73Å; F1122-V1141 HydrophobicContact CZ-CG2 4.37Å
1123G97.9Very high91.7Very high0 Ų052 Ų520%029%0.291CS..EExtended strand (participates in β ladder)trans-114.1148.6-179.300000110.5T1100 V1101 R1137T1100-G1123 PolarHBondContact N-O 3.04Å; T1100-G1123 PolarHBondContact OG1-O 2.78Å; V1101-G1123 PolarHBondContact O-N 3.24Å; G1123-R1137 WeakPolarHBondContact CA-O 3.47Å
1124T98Very high91.9Very high0 Ų047.7 Ų47.70%026%0.262CS..EExtended strand (participates in β ladder)trans-124.6165.8175.668.30000111.9M1093 E1097 H1098 I1099 F1122 G1136 R1137 F1139 V1171M1093-T1124 HydrophobicContact SD-CG2 4.22Å; E1097-T1124 HydrophobicContact CG-CG2 4.03Å; E1097-T1124 WeakPolarHBondContact OE1-CB 3.34Å; E1097-T1124 PolarHBondContact OE1-OG1 2.94Å; H1098-T1124 CarbonylContact O-C 3.59Å; H1098-T1124 WeakPolarHBondContact O-CA 3.5Å; H1098-T1124 WeakPolarHBondContact O-CB 3.46Å; I1099-T1124 HydrophobicContact CG1-CG2 4.15Å; F1122-T1124 HydrophobicContact CD2-CG2 4.44Å; T1124-G1136 WeakPolarHBondContact O-CA 3.2Å; T1124-R1137 PolarHBondContact N-O 2.9Å; T1124-R1137 WeakPolarHBondContact OG1-CA 3.36Å; T1124-R1137 WeakPolarHBondContact OG1-CB 3.39Å; T1124-R1137 PolarHBondContact OG1-N 2.84Å; T1124-R1137 PolarHBondContact OG1-O 2.87Å; T1124-F1139 HydrophobicContact CG2-CD2 4.24Å; T1124-F1139 HydrophobicContact CG2-CE2 3.83Å; T1124-V1171 PolarHBondContact O-N 2.75Å
1125M96.1Very high92.2Very high34 Ų3448.3 Ų48.317%0.16725%0.251CS..EExtended strand (participates in β ladder)trans-131.9143.3163.270.3168.571.400110.2E1097 H1098 T1100 I1134 R1135 P1170 Y1210E1097-M1125 WeakPolarHBondContact CA-O 3.43Å; H1098-M1125 HydrophobicContact CB-CG 4.18Å; H1098-M1125 PolarHBondContact N-O 2.75Å; H1098-M1125 PolarHBondContact O-N 3.2Å; T1100-M1125 HydrophobicContact CG2-CB 4.01Å; T1100-M1125 HydrophobicContact CG2-CE 3.34Å; T1100-M1125 HydrophobicContact CG2-CG 3.54Å; T1100-M1125 HydrophobicContact CG2-SD 4.13Å; M1125-I1134 HydrophobicContact CB-CG2 3.95Å; M1125-R1135 CarbonylContact C-O 3.59Å; M1125-R1135 WeakPolarHBondContact CA-O 3.25Å; M1125-P1170 HydrophobicContact CB-CB 3.72Å; M1125-P1170 HydrophobicContact CE-CB 4.39Å; M1125-Y1210 WeakPolarHBondContact CE-OH 3.27Å
1126C94.1Very high92.3Very high13 Ų1347 Ų479%0.08824%0.238CC..EExtended strand (participates in β ladder)trans-103.8111174.2-570000109.2F1096 Y1128 R1135F1096-C1126 CarbonylContact O-C 3.53Å; F1096-C1126 VanDerWaalsContact O-CA 3.25Å; F1096-C1126 WeakPolarHBondContact O-CA 3.29Å; C1126-Y1128 HydrophobicContact CB-CD2 4.27Å; C1126-Y1128 HydrophobicContact CB-CE2 3.4Å; C1126-Y1128 VanDerWaalsContact CB-CE2 3.4Å; C1126-R1135 PolarHBondContact N-O 2.83Å
1127N89.9Confident92.5Very high71 Ų7147 Ų4738%0.3824%0.236SC..  trans-106.2106.8-178.3-176.26.9000110.6F1096 G1129F1096-N1127 WeakPolarHBondContact CD1-O 3.38Å; F1096-N1127 PolarHBondContact O-N 2.88Å; N1127-G1129 PolarHBondContact OD1-N 3.46Å; N1127-G1129 VanDerWaalsContact OD1-N 3.13Å
1128Y90.4Very high92.7Very high43 Ų4345.4 Ų45.417%0.16923%0.229CC..  trans-106.511.1-179.7-53.2-79000112.8V1046 K1053 F1055 F1096 C1126 V1132V1046-Y1128 HydrophobicContact CB-CD1 4.38Å; V1046-Y1128 HydrophobicContact CG1-CD1 4.32Å; V1046-Y1128 HydrophobicContact CG1-CG 4.38Å; V1046-Y1128 HydrophobicContact CG2-CD1 3.84Å; V1046-Y1128 HydrophobicContact CG2-CG 4.5Å; K1053-Y1128 HydrophobicContact CD-CD2 4.43Å; K1053-Y1128 HydrophobicContact CD-CE2 4.17Å; F1055-Y1128 HydrophobicContact CE1-CD1 4.36Å; F1055-Y1128 HydrophobicContact CE1-CE1 4.1Å; F1055-Y1128 HydrophobicContact CZ-CE1 4.02Å; F1096-Y1128 HydrophobicContact CB-CD1 3.54Å; F1096-Y1128 HydrophobicContact CB-CE1 3.45Å; F1096-Y1128 VanDerWaalsContact CB-CE1 3.45Å; F1096-Y1128 HydrophobicContact CB-CG 4.41Å; F1096-Y1128 HydrophobicContact CD1-CD1 4.07Å; F1096-Y1128 AromaticContact CD2-CD1 3.67Å; F1096-Y1128 HydrophobicContact CD2-CD1 3.67Å; F1096-Y1128 AromaticContact CD2-CE1 3.65Å; F1096-Y1128 HydrophobicContact CD2-CE1 3.65Å; F1096-Y1128 HydrophobicContact CE2-CD1 4.42Å; F1096-Y1128 AromaticContact CG-CD1 3.46Å; F1096-Y1128 HydrophobicContact CG-CD1 3.46Å; F1096-Y1128 VanDerWaalsContact CG-CD1 3.46Å; F1096-Y1128 AromaticContact CG-CE1 3.69Å; F1096-Y1128 HydrophobicContact CG-CE1 3.69Å; C1126-Y1128 HydrophobicContact CB-CD2 4.27Å; C1126-Y1128 HydrophobicContact CB-CE2 3.4Å; C1126-Y1128 VanDerWaalsContact CB-CE2 3.4Å; Y1128-V1132 HydrophobicContact CD2-CB 4.41Å; Y1128-V1132 HydrophobicContact CD2-CG1 3.78Å; Y1128-V1132 HydrophobicContact CG-CG1 4.31Å
1129G83.7Confident92.9Very high32 Ų3244.3 Ų44.333%0.3322%0.222SC..  trans101.7172.2-17100000113.4N1127 E1131 V1132N1127-G1129 PolarHBondContact OD1-N 3.46Å; N1127-G1129 VanDerWaalsContact OD1-N 3.13Å; G1129-E1131 VanDerWaalsContact C-N 3.3Å; G1129-E1131 PolarHBondContact O-N 3.05Å; G1129-V1132 PolarHBondContact O-N 3.12Å
1130D82.5Confident93Very high177 Ų17743.7 Ų43.795%0.94722%0.22SC*.THydrogen-bonded Turntrans-68.9-22.3-167.5-67.5-19.1000114.4V1132D1130-V1132 VanDerWaalsContact C-N 3.35Å
1131E82.7Confident93Very high153 Ų15343.5 Ų43.572%0.71522%0.219SC*.THydrogen-bonded Turntrans-76-23.6179.5-61.6-170.2167.400112.7L1048 G1129L1048-E1131 HydrophobicContact CD1-CB 4.31Å; L1048-E1131 WeakPolarHBondContact CD1-O 3.35Å; G1129-E1131 VanDerWaalsContact C-N 3.3Å; G1129-E1131 PolarHBondContact O-N 3.05Å
1132V87.8Confident92.9Very high10 Ų1044.9 Ų44.96%0.06123%0.226CC..SBendtrans-101.3126.4-173.1-1720000110.7V1046 L1048 K1053 Y1128 G1129 D1130 I1134V1046-V1132 HydrophobicContact CG1-CG2 4.38Å; L1048-V1132 HydrophobicContact CD1-CB 4.42Å; L1048-V1132 HydrophobicContact CD1-CG2 3.9Å; L1048-V1132 HydrophobicContact CG-CG2 4.01Å; K1053-V1132 HydrophobicContact CD-CG1 4.42Å; K1053-V1132 HydrophobicContact CG-CG1 4.46Å; Y1128-V1132 HydrophobicContact CD2-CB 4.41Å; Y1128-V1132 HydrophobicContact CD2-CG1 3.78Å; Y1128-V1132 HydrophobicContact CG-CG1 4.31Å; G1129-V1132 PolarHBondContact O-N 3.12Å; D1130-V1132 VanDerWaalsContact C-N 3.35Å; V1132-I1134 PolarHBondContact O-N 2.95Å
1133L87.1Confident92.7Very high140 Ų14046.1 Ų46.173%0.73323%0.234SC*.PPolyproline II helixtrans-58.2124.4174.2-69174.6000111.2R1135L1133-R1135 PolarHBondContact O-N 2.76Å
1134I91.5Very high92.4Very high70 Ų7048.7 Ų48.736%0.35925%0.247SC..PPolyproline II helixtrans-69124.7178.9-57.3175.2000109.7M1125 V1132 P1170M1125-I1134 HydrophobicContact CB-CG2 3.95Å; V1132-I1134 PolarHBondContact O-N 2.95Å; I1134-P1170 HydrophobicContact CG2-CB 3.8Å; I1134-P1170 HydrophobicContact CG2-CG 4.07Å
1135R93.1Very high92Very high94 Ų9455.9 Ų55.936%0.35528%0.281SS..BIsolated β-bridgetrans-113165.1171.1-64-63-174.1105.3-1.2109.6M1125 C1126 L1133 E1166M1125-R1135 CarbonylContact C-O 3.59Å; M1125-R1135 WeakPolarHBondContact CA-O 3.25Å; C1126-R1135 PolarHBondContact N-O 2.83Å; L1133-R1135 PolarHBondContact O-N 2.76Å; R1135-E1166 HydrophobicContact CB-CG 4.25Å; R1135-E1166 VanDerWaalsContact CB-OE1 3.29Å; R1135-E1166 WeakPolarHBondContact CB-OE1 2.99Å; R1135-E1166 VanDerWaalsContact CG-OE1 3.22Å; R1135-E1166 WeakPolarHBondContact CG-OE1 3.32Å; R1135-E1166 IonicContact NH1-OE1 2.83Å
1136G94.1Very high91.7Very high0 Ų057.2 Ų57.20%029%0.291CS..EExtended strand (participates in β ladder)trans-140.9156.1178.300000111.4T1124 E1166 Q1167 G1169T1124-G1136 WeakPolarHBondContact O-CA 3.2Å; G1136-E1166 CarbonylContact O-C 3.57Å; G1136-E1166 WeakPolarHBondContact O-CA 3.35Å; G1136-Q1167 PolarHBondContact O-N 3.11Å; G1136-G1169 PolarHBondContact N-O 2.91Å
1137R96.8Very high91.4Very high68 Ų6862.7 Ų62.726%0.25732%0.323SS..EExtended strand (participates in β ladder)trans-110.5147.9172.1-58.7-163.7-72-169.6-8.5110D1094 E1097 G1123 T1124 F1139 E1166D1094-R1137 IonicContact OD2-CZ 2.8Å; D1094-R1137 IonicContact OD2-NH1 3.67Å; D1094-R1137 IonicContact OD2-NH2 2.78Å; D1094-R1137 PolarHBondContact OD2-NH2 2.93Å; E1097-R1137 IonicContact OE1-CZ 2.79Å; E1097-R1137 IonicContact OE1-NE 2.74Å; E1097-R1137 PolarHBondContact OE1-NE 2.91Å; E1097-R1137 IonicContact OE1-NH2 3.09Å; E1097-R1137 PolarHBondContact OE1-NH2 3Å; E1097-R1137 IonicContact OE2-CZ 3.88Å; E1097-R1137 IonicContact OE2-NE 3.69Å; E1097-R1137 IonicContact OE2-NH2 2.6Å; E1097-R1137 PolarHBondContact OE2-NH2 2.87Å; G1123-R1137 WeakPolarHBondContact CA-O 3.47Å; T1124-R1137 PolarHBondContact N-O 2.9Å; T1124-R1137 WeakPolarHBondContact OG1-CA 3.36Å; T1124-R1137 WeakPolarHBondContact OG1-CB 3.39Å; T1124-R1137 PolarHBondContact OG1-N 2.84Å; T1124-R1137 PolarHBondContact OG1-O 2.87Å; R1137-F1139 HydrophobicContact CB-CD2 4.34Å; R1137-F1139 HydrophobicContact CB-CE2 3.69Å; R1137-F1139 HydrophobicContact CB-CZ 4.29Å; R1137-E1166 HydrophobicContact CG-CB 4.35Å; R1137-E1166 HydrophobicContact CG-CG 4.5Å
1138L97.5Very high91.2Very high0 Ų062.2 Ų62.20%032%0.324CS..EExtended strand (participates in β ladder)trans-113.2128.5174.8177.661.1000108.8Y1163 A1164 K1165 Q1167 V1171 L1174 L1181 T1183 L1199L1138-Y1163 HydrophobicContact CB-CE1 4.17Å; L1138-Y1163 HydrophobicContact CD2-CE1 4.34Å; L1138-Y1163 HydrophobicContact CG-CD1 4.46Å; L1138-Y1163 HydrophobicContact CG-CE1 4.29Å; L1138-Y1163 VanDerWaalsContact O-CD1 3.31Å; L1138-Y1163 WeakPolarHBondContact O-CD1 3.27Å; L1138-A1164 WeakPolarHBondContact O-CA 3.48Å; L1138-K1165 PolarHBondContact N-O 2.88Å; L1138-K1165 PolarHBondContact O-N 2.98Å; L1138-Q1167 HydrophobicContact CB-CG 3.98Å; L1138-V1171 HydrophobicContact CB-CG2 4.34Å; L1138-V1171 HydrophobicContact CD1-CG1 4.41Å; L1138-L1174 HydrophobicContact CD1-CD1 4.05Å; L1138-L1174 HydrophobicContact CD1-CD2 3.79Å; L1138-L1181 HydrophobicContact CD2-CD2 4.04Å; L1138-T1183 HydrophobicContact CD2-CG2 3.87Å; L1138-L1199 HydrophobicContact CD2-CD1 3.28Å; L1138-L1199 HydrophobicContact CG-CD1 4.21Å
1139F98.2Very high91Very high9 Ų964.2 Ų64.24%0.03934%0.335CS..EExtended strand (participates in β ladder)trans-113.4135.6178.3-66.3-97.9000110.4M1093 A1121 F1122 T1124 R1137 V1141 Y1163 A1164M1093-F1139 HydrophobicContact SD-CE2 4.35Å; M1093-F1139 HydrophobicContact SD-CZ 4.25Å; A1121-F1139 VanDerWaalsContact CA-O 3.28Å; A1121-F1139 WeakPolarHBondContact CA-O 3.45Å; F1122-F1139 HydrophobicContact CD1-CB 3.89Å; F1122-F1139 HydrophobicContact CD2-CB 3.8Å; F1122-F1139 AromaticContact CD2-CD2 3.62Å; F1122-F1139 HydrophobicContact CD2-CD2 3.62Å; F1122-F1139 HydrophobicContact CD2-CE2 4.42Å; F1122-F1139 AromaticContact CD2-CG 3.9Å; F1122-F1139 HydrophobicContact CD2-CG 3.9Å; F1122-F1139 HydrophobicContact CE1-CB 3.58Å; F1122-F1139 HydrophobicContact CE1-CG 4.14Å; F1122-F1139 HydrophobicContact CE2-CB 3.48Å; F1122-F1139 VanDerWaalsContact CE2-CB 3.48Å; F1122-F1139 AromaticContact CE2-CD1 3.9Å; F1122-F1139 HydrophobicContact CE2-CD1 3.9Å; F1122-F1139 AromaticContact CE2-CD2 3.17Å; F1122-F1139 HydrophobicContact CE2-CD2 3.17Å; F1122-F1139 HydrophobicContact CE2-CE1 4.4Å; F1122-F1139 AromaticContact CE2-CE2 3.77Å; F1122-F1139 HydrophobicContact CE2-CE2 3.77Å; F1122-F1139 AromaticContact CE2-CG 3.23Å; F1122-F1139 HydrophobicContact CE2-CG 3.23Å; F1122-F1139 HydrophobicContact CE2-CZ 4.35Å; F1122-F1139 HydrophobicContact CG-CB 3.99Å; F1122-F1139 HydrophobicContact CZ-CB 3.36Å; F1122-F1139 AromaticContact CZ-CD1 3.73Å; F1122-F1139 HydrophobicContact CZ-CD1 3.73Å; F1122-F1139 AromaticContact CZ-CD2 3.86Å; F1122-F1139 HydrophobicContact CZ-CD2 3.86Å; F1122-F1139 HydrophobicContact CZ-CE1 4.44Å; F1122-F1139 AromaticContact CZ-CG 3.38Å; F1122-F1139 HydrophobicContact CZ-CG 3.38Å; F1122-F1139 PolarHBondContact N-O 3.13Å; F1122-F1139 VanDerWaalsContact N-O 3.11Å; F1122-F1139 PolarHBondContact O-N 3.09Å; T1124-F1139 HydrophobicContact CG2-CD2 4.24Å; T1124-F1139 HydrophobicContact CG2-CE2 3.83Å; R1137-F1139 HydrophobicContact CB-CD2 4.34Å; R1137-F1139 HydrophobicContact CB-CE2 3.69Å; R1137-F1139 HydrophobicContact CB-CZ 4.29Å; F1139-V1141 HydrophobicContact CB-CG2 4.38Å; F1139-Y1163 CarbonylContact C-O 3.58Å; F1139-Y1163 VanDerWaalsContact CA-O 3.27Å; F1139-Y1163 WeakPolarHBondContact CA-O 3.29Å; F1139-A1164 HydrophobicContact CD1-CB 3.66Å; F1139-A1164 HydrophobicContact CE1-CB 3.67Å
1140I98Very high90.9Very high0 Ų068.2 Ų68.20%036%0.355CS..EExtended strand (participates in β ladder)trans-125.1119.5164.7-57.2176.1000106.4L1107 Y1119 L1162 Y1163 L1181 F1194 L1199L1107-I1140 HydrophobicContact CD1-CD1 4.39Å; Y1119-I1140 HydrophobicContact CD1-CG2 4.28Å; Y1119-I1140 HydrophobicContact CG-CG2 3.93Å; I1140-L1162 PolarHBondContact O-N 3.22Å; I1140-Y1163 PolarHBondContact N-O 2.94Å; I1140-Y1163 PolarHBondContact O-N 3.23Å; I1140-Y1163 VanDerWaalsContact O-N 3.08Å; I1140-L1181 HydrophobicContact CD1-CD2 3.95Å; I1140-L1181 HydrophobicContact CG1-CD2 4.48Å; I1140-F1194 HydrophobicContact CB-CZ 4.5Å; I1140-F1194 HydrophobicContact CD1-CD2 3.63Å; I1140-F1194 HydrophobicContact CD1-CE2 3.75Å; I1140-F1194 HydrophobicContact CD1-CG 4.07Å; I1140-F1194 HydrophobicContact CD1-CZ 4.29Å; I1140-F1194 HydrophobicContact CG2-CE1 4.17Å; I1140-F1194 HydrophobicContact CG2-CZ 4.04Å; I1140-L1199 HydrophobicContact CD1-CD1 3.92Å; I1140-L1199 HydrophobicContact CD1-CD2 3.77Å; I1140-L1199 HydrophobicContact CD1-CG 4Å
1141V97.3Very high91Very high0 Ų067.7 Ų67.70%035%0.352CS..EExtended strand (participates in β ladder)trans-126132.8-172.7-174.70000108.4I1091 L1120 F1122 F1139 F1159 I1161I1091-V1141 HydrophobicContact CD1-CG2 4.21Å; L1120-V1141 HydrophobicContact CB-CB 4.39Å; L1120-V1141 PolarHBondContact N-O 2.8Å; L1120-V1141 PolarHBondContact O-N 3.41Å; F1122-V1141 HydrophobicContact CE1-CG2 3.73Å; F1122-V1141 HydrophobicContact CZ-CG2 4.37Å; F1139-V1141 HydrophobicContact CB-CG2 4.38Å; V1141-F1159 HydrophobicContact CG1-CB 3.79Å; V1141-F1159 HydrophobicContact CG1-CD1 3.48Å; V1141-F1159 VanDerWaalsContact CG1-CD1 3.48Å; V1141-F1159 HydrophobicContact CG1-CE1 4.36Å; V1141-F1159 HydrophobicContact CG1-CG 3.95Å; V1141-I1161 HydrophobicContact CG2-CG1 4.22Å
1142D95.3Very high90.9Very high28 Ų2864.1 Ų64.115%0.1534%0.335CS..EExtended strand (participates in β ladder)trans-100144.1171.2-179.919.9000109.1Y1119 I1144 K1160 L1162Y1119-D1142 HydrophobicContact CD1-CB 4.19Å; Y1119-D1142 HydrophobicContact CE1-CB 4.43Å; D1142-I1144 VanDerWaalsContact OD2-CG2 3.31Å; D1142-I1144 WeakPolarHBondContact OD2-CG2 3.5Å; D1142-K1160 PolarHBondContact N-O 2.89Å; D1142-K1160 PolarHBondContact O-N 3.24Å; D1142-L1162 HydrophobicContact CB-CD1 3.79Å; D1142-L1162 HydrophobicContact CB-CD2 4.43Å; D1142-L1162 HydrophobicContact CB-CG 4Å
1143V94.4Very high90.5Very high26 Ų2668.4 Ų68.416%0.15836%0.363CS..EExtended strand (participates in β ladder)trans-104.7102.5175.6178.90000107.8L1026 L1077 N1157 F1159L1026-V1143 HydrophobicContact CD1-CB 4.38Å; L1026-V1143 HydrophobicContact CD1-CG2 3.52Å; L1077-V1143 HydrophobicContact CD1-CG1 3.85Å; L1077-V1143 HydrophobicContact CD1-CG2 4.4Å; L1077-V1143 HydrophobicContact CD2-CG2 4.34Å; V1143-N1157 HydrophobicContact CG1-CB 4.07Å; V1143-F1159 HydrophobicContact CG2-CD1 3.93Å; V1143-F1159 HydrophobicContact CG2-CE1 3.99Å
1144I92.5Very high90.2Very high54 Ų5463.9 Ų63.928%0.27734%0.339SS..EExtended strand (participates in β ladder)trans-95.9148.6-175.958165.3000111.3D1142 V1146 N1157 K1158 K1160D1142-I1144 VanDerWaalsContact OD2-CG2 3.31Å; D1142-I1144 WeakPolarHBondContact OD2-CG2 3.5Å; I1144-V1146 HydrophobicContact CD1-CG2 3.82Å; I1144-V1146 HydrophobicContact CG1-CG2 3.99Å; I1144-N1157 WeakPolarHBondContact O-CA 3.43Å; I1144-K1158 HydrophobicContact CG1-CB 4.44Å; I1144-K1158 WeakPolarHBondContact CG1-O 3.38Å; I1144-K1158 PolarHBondContact N-O 3.29Å; I1144-K1158 PolarHBondContact O-N 2.9Å; I1144-K1160 HydrophobicContact CD1-CB 4.1Å; I1144-K1160 HydrophobicContact CD1-CD 4.34Å; I1144-K1160 HydrophobicContact CG1-CB 4.15Å; I1144-K1160 HydrophobicContact CG2-CB 4.14Å; I1144-K1160 HydrophobicContact CG2-CD 4.04Å
1145E89.9Confident89.9Confident152 Ų15261 Ų6171%0.7133%0.326SS*.EExtended strand (participates in β ladder)trans-81.8128.3167.3-65.1-171.9164.700110.5K1156E1145-K1156 CarbonylContact C-O 3.51Å; E1145-K1156 VanDerWaalsContact CA-O 3.23Å; E1145-K1156 WeakPolarHBondContact CA-O 3.48Å
1146V89.9Confident89.6Confident62 Ų6260.6 Ų60.638%0.37633%0.326SS..  trans-125.6156.2179.4-175.50000108.3I1144 P1148 K1156 K1158I1144-V1146 HydrophobicContact CD1-CG2 3.82Å; I1144-V1146 HydrophobicContact CG1-CG2 3.99Å; V1146-P1148 WeakPolarHBondContact O-CD 3.43Å; V1146-K1156 PolarHBondContact N-O 3.39Å; V1146-K1156 WeakPolarHBondContact O-CA 3.31Å; V1146-K1158 HydrophobicContact CG2-CB 3.96Å
1147V87.5Confident89.5Confident128 Ų12860.6 Ų60.678%0.77633%0.326SS*.PPolyproline II helixtrans-58.6124.1171.9-178.60000108.8
1148P86.2Confident89.3Confident60 Ų6062.5 Ų62.539%0.3934%0.337SS..PPolyproline II helixtrans-59144178.5-21.731.2000111.9V1146 T1155 K1156V1146-P1148 WeakPolarHBondContact O-CD 3.43Å; P1148-T1155 WeakPolarHBondContact CA-OG1 3.27Å; P1148-K1156 HydrophobicContact CG-CB 4.01Å
1149E84.7Confident89.2Confident86 Ų8663.6 Ų63.640%0.40234%0.341SS..BIsolated β-bridgetrans-60.6147.9170.9-65.3-177-172.800110.6N1088 D1151 Q1152 T1155N1088-E1149 PolarHBondContact ND2-OE1 3.35Å; N1088-E1149 PolarHBondContact ND2-OE2 2.78Å; E1149-D1151 PolarHBondContact O-N 2.99Å; E1149-Q1152 HydrophobicContact CB-CB 4.39Å; E1149-Q1152 PolarHBondContact O-N 3.31Å; E1149-T1155 HydrophobicContact CB-CG2 4.49Å; E1149-T1155 HydrophobicContact CG-CG2 4.42Å; E1149-T1155 PolarHBondContact N-OG1 2.83Å
1150P83Confident89.1Confident115 Ų11568 Ų6875%0.74736%0.36SS*.THydrogen-bonded Turntrans-51.7132.5175.8-22.532.1000110.7Q1152P1150-Q1152 PolarHBondContact O-N 2.78Å
1151D82.8Confident89Confident166 Ų16671.9 Ų71.989%0.88838%0.38SS*.THydrogen-bonded Turntrans66.24.4-177.9-50.5-42.9000116.5E1149E1149-D1151 PolarHBondContact O-N 2.99Å
1152Q82.1Confident89Confident79 Ų7973 Ų7337%0.36939%0.386SS..BIsolated β-bridgetrans-130.479.5179.9-62.2-169.72.700113E1149 P1150 L1154 T1155E1149-Q1152 HydrophobicContact CB-CB 4.39Å; E1149-Q1152 PolarHBondContact O-N 3.31Å; P1150-Q1152 PolarHBondContact O-N 2.78Å; Q1152-L1154 PolarHBondContact O-N 3.32Å; Q1152-L1154 VanDerWaalsContact O-N 3.12Å; Q1152-T1155 HydrophobicContact CB-CG2 3.92Å; Q1152-T1155 PolarHBondContact O-N 2.76Å; Q1152-T1155 PolarHBondContact O-OG1 3.18Å
1153P79.7Confident89.1Confident99 Ų9972.3 Ų72.364%0.64338%0.382SS*.G310 helixtrans-62.8-23.5-176.525.9-35000114.2T1155 K1156P1153-T1155 PolarHBondContact O-N 3.37Å; P1153-K1156 PolarHBondContact O-N 2.94Å
1154L79Confident89.2Confident45 Ų4573.4 Ų73.424%0.23639%0.393CS..G310 helixtrans-67.8-20.9179.5-65.2174.2000113.3T1082 I1086 Q1152 K1156T1082-L1154 HydrophobicContact CG2-CD1 4.1Å; T1082-L1154 HydrophobicContact CG2-CD2 4.34Å; I1086-L1154 WeakPolarHBondContact CG2-O 3.36Å; Q1152-L1154 PolarHBondContact O-N 3.32Å; Q1152-L1154 VanDerWaalsContact O-N 3.12Å; L1154-K1156 PolarHBondContact O-N 3.25Å
1155T85.4Confident89.4Confident11 Ų1174.9 Ų74.97%0.06740%0.398CS..G310 helixtrans-74.59.6179.559.40000113.7P1087 P1148 E1149 Q1152 P1153 N1157P1087-T1155 HydrophobicContact CG-CG2 3.74Å; P1148-T1155 WeakPolarHBondContact CA-OG1 3.27Å; E1149-T1155 HydrophobicContact CB-CG2 4.49Å; E1149-T1155 HydrophobicContact CG-CG2 4.42Å; E1149-T1155 PolarHBondContact N-OG1 2.83Å; Q1152-T1155 HydrophobicContact CB-CG2 3.92Å; Q1152-T1155 PolarHBondContact O-N 2.76Å; Q1152-T1155 PolarHBondContact O-OG1 3.18Å; P1153-T1155 PolarHBondContact O-N 3.37Å; T1155-N1157 PolarHBondContact O-N 2.94Å
1156K87.6Confident89.6Confident84 Ų8472.9 Ų72.937%0.36539%0.388SS..G310 helixtrans-56.7-29.2173.369.9175.9-174.1179.90113.2E1145 V1146 P1148 P1153 L1154E1145-K1156 CarbonylContact C-O 3.51Å; E1145-K1156 VanDerWaalsContact CA-O 3.23Å; E1145-K1156 WeakPolarHBondContact CA-O 3.48Å; V1146-K1156 PolarHBondContact N-O 3.39Å; V1146-K1156 WeakPolarHBondContact O-CA 3.31Å; P1148-K1156 HydrophobicContact CG-CB 4.01Å; P1153-K1156 PolarHBondContact O-N 2.94Å; L1154-K1156 PolarHBondContact O-N 3.25Å
1157N91.6Very high89.9Confident1 Ų170.8 Ų70.81%0.00537%0.374CS..EExtended strand (participates in β ladder)trans-107.4131.8-175.5-68.7-22.4000110.7S1029 T1031 L1077 I1086 V1089 V1143 I1144 T1155S1029-N1157 PolarHBondContact O-ND2 2.8Å; T1031-N1157 WeakPolarHBondContact CG2-ND2 3.5Å; L1077-N1157 HydrophobicContact CD1-CB 4.09Å; I1086-N1157 HydrophobicContact CD1-CB 4.24Å; V1089-N1157 WeakPolarHBondContact CG2-O 3.39Å; V1143-N1157 HydrophobicContact CG1-CB 4.07Å; I1144-N1157 WeakPolarHBondContact O-CA 3.43Å; T1155-N1157 PolarHBondContact O-N 2.94Å
1158K92.4Very high90Very high108 Ų10873.2 Ų73.247%0.4737%0.374SS..EExtended strand (participates in β ladder)trans-138.5147-179.8-171.9170.4-176.3168.70112.3V1089 I1144 V1146V1089-K1158 HydrophobicContact CG2-CG 4.45Å; I1144-K1158 HydrophobicContact CG1-CB 4.44Å; I1144-K1158 WeakPolarHBondContact CG1-O 3.38Å; I1144-K1158 PolarHBondContact N-O 3.29Å; I1144-K1158 PolarHBondContact O-N 2.9Å; V1146-K1158 HydrophobicContact CG2-CB 3.96Å
1159F95.4Very high90.4Very high23 Ų2371 Ų7110%0.10136%0.362CS..EExtended strand (participates in β ladder)trans-71.8129.8171-69.1-49.6000112.1V1075 L1077 V1089 I1091 L1120 V1141 V1143V1075-F1159 HydrophobicContact CG1-CE2 3.99Å; V1075-F1159 HydrophobicContact CG1-CZ 3.74Å; L1077-F1159 HydrophobicContact CB-CZ 4.44Å; L1077-F1159 HydrophobicContact CD1-CD1 4.42Å; L1077-F1159 HydrophobicContact CD1-CE1 4.15Å; L1077-F1159 HydrophobicContact CD1-CZ 4.32Å; L1077-F1159 HydrophobicContact CD2-CD1 4.42Å; L1077-F1159 HydrophobicContact CD2-CE1 3.43Å; L1077-F1159 VanDerWaalsContact CD2-CE1 3.43Å; L1077-F1159 HydrophobicContact CD2-CE2 4.4Å; L1077-F1159 HydrophobicContact CD2-CZ 3.42Å; L1077-F1159 VanDerWaalsContact CD2-CZ 3.42Å; L1077-F1159 HydrophobicContact CG-CD1 4.31Å; L1077-F1159 HydrophobicContact CG-CE1 3.62Å; L1077-F1159 HydrophobicContact CG-CE2 3.89Å; L1077-F1159 HydrophobicContact CG-CZ 3.38Å; V1089-F1159 HydrophobicContact CG1-CB 4.42Å; V1089-F1159 HydrophobicContact CG1-CD2 3.32Å; V1089-F1159 HydrophobicContact CG1-CE2 3.67Å; V1089-F1159 HydrophobicContact CG1-CG 3.9Å; V1089-F1159 HydrophobicContact CG1-CZ 4.5Å; I1091-F1159 HydrophobicContact CD1-CB 4.26Å; I1091-F1159 HydrophobicContact CD1-CD2 3.95Å; I1091-F1159 HydrophobicContact CD1-CE2 4.48Å; I1091-F1159 HydrophobicContact CD1-CG 4.11Å; I1091-F1159 HydrophobicContact CG1-CD2 3.93Å; I1091-F1159 HydrophobicContact CG1-CE2 4.47Å; I1091-F1159 HydrophobicContact CG1-CG 4.49Å; L1120-F1159 HydrophobicContact CD2-CE1 3.76Å; L1120-F1159 HydrophobicContact CD2-CZ 4.32Å; V1141-F1159 HydrophobicContact CG1-CB 3.79Å; V1141-F1159 HydrophobicContact CG1-CD1 3.48Å; V1141-F1159 VanDerWaalsContact CG1-CD1 3.48Å; V1141-F1159 HydrophobicContact CG1-CE1 4.36Å; V1141-F1159 HydrophobicContact CG1-CG 3.95Å; V1143-F1159 HydrophobicContact CG2-CD1 3.93Å; V1143-F1159 HydrophobicContact CG2-CE1 3.99Å
1160K95.7Very high90.9Very high100 Ų10067.9 Ų67.944%0.43535%0.35SS..EExtended strand (participates in β ladder)trans-117105166.1-177.3-173.9174.8-169.20108.6D1142 I1144 L1162D1142-K1160 PolarHBondContact N-O 2.89Å; D1142-K1160 PolarHBondContact O-N 3.24Å; I1144-K1160 HydrophobicContact CD1-CB 4.1Å; I1144-K1160 HydrophobicContact CD1-CD 4.34Å; I1144-K1160 HydrophobicContact CG1-CB 4.15Å; I1144-K1160 HydrophobicContact CG2-CB 4.14Å; I1144-K1160 HydrophobicContact CG2-CD 4.04Å; K1160-L1162 HydrophobicContact CD-CD2 3.85Å; K1160-L1162 HydrophobicContact CG-CD2 3.97Å; K1160-L1162 PolarHBondContact O-N 3.08Å; K1160-L1162 VanDerWaalsContact O-N 3.16Å
1161I96.8Very high91.6Very high83 Ų8362.4 Ų62.443%0.42631%0.314SS..EExtended strand (participates in β ladder)trans-69.9112.3176.3-57.5175000108.1I1091 V1141 A1164I1091-I1161 HydrophobicContact CD1-CD1 4.11Å; I1091-I1161 HydrophobicContact CD1-CG1 4.1Å; I1091-I1161 HydrophobicContact CG1-CD1 4.45Å; I1091-I1161 HydrophobicContact CG2-CD1 4.49Å; V1141-I1161 HydrophobicContact CG2-CG1 4.22Å; I1161-A1164 HydrophobicContact CG2-CB 3.72Å
1162L96.2Very high92.3Very high22 Ų2254.7 Ų54.712%0.11527%0.273CS..EExtended strand (participates in β ladder)trans-88.7-37.7177-59.8-176.1000111.1Y1119 I1140 D1142 K1160 F1194Y1119-L1162 HydrophobicContact CD1-CD1 3.95Å; Y1119-L1162 HydrophobicContact CE1-CD1 3.62Å; I1140-L1162 PolarHBondContact O-N 3.22Å; D1142-L1162 HydrophobicContact CB-CD1 3.79Å; D1142-L1162 HydrophobicContact CB-CD2 4.43Å; D1142-L1162 HydrophobicContact CB-CG 4Å; K1160-L1162 HydrophobicContact CD-CD2 3.85Å; K1160-L1162 HydrophobicContact CG-CD2 3.97Å; K1160-L1162 PolarHBondContact O-N 3.08Å; K1160-L1162 VanDerWaalsContact O-N 3.16Å; L1162-F1194 HydrophobicContact CB-CZ 4Å; L1162-F1194 HydrophobicContact CD1-CE1 4.22Å; L1162-F1194 HydrophobicContact CD1-CZ 4.13Å
1163Y97.8Very high93Very high15 Ų1551 Ų516%0.05926%0.256CS..EExtended strand (participates in β ladder)trans-139.6132.5178.9-175-89.5000109.9L1138 F1139 I1140 K1165 Q1167 L1199L1138-Y1163 HydrophobicContact CB-CE1 4.17Å; L1138-Y1163 HydrophobicContact CD2-CE1 4.34Å; L1138-Y1163 HydrophobicContact CG-CD1 4.46Å; L1138-Y1163 HydrophobicContact CG-CE1 4.29Å; L1138-Y1163 VanDerWaalsContact O-CD1 3.31Å; L1138-Y1163 WeakPolarHBondContact O-CD1 3.27Å; F1139-Y1163 CarbonylContact C-O 3.58Å; F1139-Y1163 VanDerWaalsContact CA-O 3.27Å; F1139-Y1163 WeakPolarHBondContact CA-O 3.29Å; I1140-Y1163 PolarHBondContact N-O 2.94Å; I1140-Y1163 PolarHBondContact O-N 3.23Å; I1140-Y1163 VanDerWaalsContact O-N 3.08Å; Y1163-K1165 HydrophobicContact CD2-CD 4.37Å; Y1163-K1165 HydrophobicContact CD2-CG 4.34Å; Y1163-K1165 HydrophobicContact CE1-CB 3.79Å; Y1163-K1165 HydrophobicContact CE1-CG 4.12Å; Y1163-K1165 HydrophobicContact CE2-CB 4.25Å; Y1163-K1165 HydrophobicContact CE2-CD 3.58Å; Y1163-K1165 HydrophobicContact CE2-CG 3.82Å; Y1163-Q1167 PolarHBondContact OH-NE2 2.82Å; Y1163-L1199 HydrophobicContact CD1-CD1 3.89Å; Y1163-L1199 HydrophobicContact CD1-CG 4.5Å; Y1163-L1199 HydrophobicContact CD2-CG 4.3Å; Y1163-L1199 HydrophobicContact CE1-CD1 3.58Å; Y1163-L1199 HydrophobicContact CE1-CG 4.34Å; Y1163-L1199 HydrophobicContact CE2-CB 4.02Å; Y1163-L1199 HydrophobicContact CE2-CD1 4.21Å; Y1163-L1199 HydrophobicContact CE2-CG 4.1Å; Y1163-L1199 HydrophobicContact CG-CD1 4.33Å; Y1163-L1199 HydrophobicContact CG-CG 4.47Å
1164A97.2Very high93.8Very high48 Ų4846.6 Ų46.640%0.39723%0.227SC..EExtended strand (participates in β ladder)trans-149.995.6171.200000108.5L1138 F1139 I1161L1138-A1164 WeakPolarHBondContact O-CA 3.48Å; F1139-A1164 HydrophobicContact CD1-CB 3.66Å; F1139-A1164 HydrophobicContact CE1-CB 3.67Å; I1161-A1164 HydrophobicContact CG2-CB 3.72Å
1165K96.7Very high94.7Very high86 Ų8644.9 Ų44.937%0.37422%0.219SC..EExtended strand (participates in β ladder)trans-138.2145.5179.9-58.8-170.4-177.9177.70112.3L1138 Y1163 Q1167 E1198L1138-K1165 PolarHBondContact N-O 2.88Å; L1138-K1165 PolarHBondContact O-N 2.98Å; Y1163-K1165 HydrophobicContact CD2-CD 4.37Å; Y1163-K1165 HydrophobicContact CD2-CG 4.34Å; Y1163-K1165 HydrophobicContact CE1-CB 3.79Å; Y1163-K1165 HydrophobicContact CE1-CG 4.12Å; Y1163-K1165 HydrophobicContact CE2-CB 4.25Å; Y1163-K1165 HydrophobicContact CE2-CD 3.58Å; Y1163-K1165 HydrophobicContact CE2-CG 3.82Å; K1165-Q1167 PolarHBondContact O-NE2 2.79Å; K1165-Q1167 VanDerWaalsContact O-NE2 3.13Å; K1165-E1198 IonicContact NZ-OE1 3.7Å; K1165-E1198 PolarHBondContact NZ-OE1 2.97Å; K1165-E1198 IonicContact NZ-OE2 2.66Å; K1165-E1198 PolarHBondContact NZ-OE2 2.79Å
1166E94.9Very high95.1Very high109 Ų10945.3 Ų45.351%0.50922%0.223SC..EExtended strand (participates in β ladder)trans-66.2144.5173.7-162.8-169.4144.900111.6R1135 G1136 R1137R1135-E1166 HydrophobicContact CB-CG 4.25Å; R1135-E1166 VanDerWaalsContact CB-OE1 3.29Å; R1135-E1166 WeakPolarHBondContact CB-OE1 2.99Å; R1135-E1166 VanDerWaalsContact CG-OE1 3.22Å; R1135-E1166 WeakPolarHBondContact CG-OE1 3.32Å; R1135-E1166 IonicContact NH1-OE1 2.83Å; G1136-E1166 CarbonylContact O-C 3.57Å; G1136-E1166 WeakPolarHBondContact O-CA 3.35Å; R1137-E1166 HydrophobicContact CG-CB 4.35Å; R1137-E1166 HydrophobicContact CG-CG 4.5Å
1167Q94.8Very high95.4Very high18 Ų1841.6 Ų41.68%0.08421%0.208CC..EExtended strand (participates in β ladder)trans-115.9161.5-179.2-55.3-56.7-38.100110.2G1136 L1138 Y1163 K1165 G1169 V1171 M1185G1136-Q1167 PolarHBondContact O-N 3.11Å; L1138-Q1167 HydrophobicContact CB-CG 3.98Å; Y1163-Q1167 PolarHBondContact OH-NE2 2.82Å; K1165-Q1167 PolarHBondContact O-NE2 2.79Å; K1165-Q1167 VanDerWaalsContact O-NE2 3.13Å; Q1167-G1169 PolarHBondContact O-N 2.87Å; Q1167-G1169 VanDerWaalsContact O-N 3.08Å; Q1167-V1171 HydrophobicContact CB-CG2 4.22Å; Q1167-V1171 HydrophobicContact CG-CG2 3.92Å; Q1167-M1185 HydrophobicContact CB-CE 3.68Å; Q1167-M1185 HydrophobicContact CB-SD 4.2Å; Q1167-M1185 HydrophobicContact CG-CE 3.56Å
1168K90.7Very high95.4Very high179 Ų17944 Ų4478%0.77822%0.221SC*.SBendtrans-66.4-11.8-175.1-67.3-176.3178.4-179.60114.6
1169G93.3Very high95.4Very high13 Ų1339.2 Ų39.213%0.13420%0.202CC..SBendtrans-155.9179.1177.800000110.5G1136 Q1167 V1171G1136-G1169 PolarHBondContact N-O 2.91Å; Q1167-G1169 PolarHBondContact O-N 2.87Å; Q1167-G1169 VanDerWaalsContact O-N 3.08Å; G1169-V1171 PolarHBondContact O-N 2.92Å
1170P96.1Very high95.4Very high22 Ų2239.3 Ų39.314%0.14320%0.202CC..  trans-61137.1177.325.7-33.2000110M1125 I1134 T1172 M1185 G1186M1125-P1170 HydrophobicContact CB-CB 3.72Å; M1125-P1170 HydrophobicContact CE-CB 4.39Å; I1134-P1170 HydrophobicContact CG2-CB 3.8Å; I1134-P1170 HydrophobicContact CG2-CG 4.07Å; P1170-T1172 HydrophobicContact CB-CG2 4.06Å; P1170-T1172 HydrophobicContact CG-CG2 4.05Å; P1170-T1172 PolarHBondContact O-N 2.88Å; P1170-M1185 WeakPolarHBondContact O-CA 3.13Å; P1170-G1186 PolarHBondContact O-N 2.79Å
1171V97.8Very high95.5Very high0 Ų034.6 Ų34.60%018%0.181CC..EExtended strand (participates in β ladder)trans-84.2106.9171.4-176.70000106.5T1100 V1101 T1124 L1138 Q1167 G1169 L1174 G1184 M1185T1100-V1171 WeakPolarHBondContact CB-O 3.12Å; T1100-V1171 PolarHBondContact OG1-O 2.9Å; V1101-V1171 HydrophobicContact CG1-CG1 4.28Å; T1124-V1171 PolarHBondContact O-N 2.75Å; L1138-V1171 HydrophobicContact CB-CG2 4.34Å; L1138-V1171 HydrophobicContact CD1-CG1 4.41Å; Q1167-V1171 HydrophobicContact CB-CG2 4.22Å; Q1167-V1171 HydrophobicContact CG-CG2 3.92Å; G1169-V1171 PolarHBondContact O-N 2.92Å; V1171-L1174 HydrophobicContact CG1-CD2 3.98Å; V1171-L1174 HydrophobicContact CG1-CG 4.25Å; V1171-G1184 CarbonylContact C-O 3.59Å; V1171-M1185 HydrophobicContact CG2-CE 4.5Å
1172T96.9Very high95.5Very high4 Ų430.8 Ų30.83%0.02516%0.162CC..EExtended strand (participates in β ladder)trans-99.3-26.1-168.159.30000112.8P1170 G1184 Y1210 V1211P1170-T1172 HydrophobicContact CB-CG2 4.06Å; P1170-T1172 HydrophobicContact CG-CG2 4.05Å; P1170-T1172 PolarHBondContact O-N 2.88Å; T1172-G1184 PolarHBondContact N-O 2.85Å; T1172-G1184 PolarHBondContact OG1-O 2.9Å; T1172-Y1210 HydrophobicContact CG2-CD2 4.17Å; T1172-Y1210 HydrophobicContact CG2-CE1 4.12Å; T1172-Y1210 HydrophobicContact CG2-CE2 3.32Å; T1172-Y1210 VanDerWaalsContact CG2-OH 3.23Å; T1172-Y1210 WeakPolarHBondContact CG2-OH 3.37Å; T1172-V1211 VanDerWaalsContact CB-O 3.3Å; T1172-V1211 WeakPolarHBondContact CB-O 3.38Å; T1172-V1211 PolarHBondContact OG1-O 3.41Å
1173S97.4Very high95.5Very high2 Ų229.7 Ų29.71%0.01416%0.156CC..EExtended strand (participates in β ladder)trans-155.5158.4177.851.80000111.8G1184 V1211S1173-G1184 PolarHBondContact N-O 3.48Å; S1173-G1184 PolarHBondContact O-N 3.3Å; S1173-G1184 WeakPolarHBondContact OG-CA 3.22Å; S1173-V1211 WeakPolarHBondContact OG-CG1 3.27Å; S1173-V1211 PolarHBondContact OG-O 3.16Å
1174L97.3Very high95.5Very high6 Ų629 Ų293%0.03115%0.154CC..EExtended strand (participates in β ladder)trans-141.2143.5-178.2-69.2175.2000109.8V1101 T1103 A1121 L1138 V1171 L1181 L1182 T1183V1101-L1174 HydrophobicContact CG1-CB 4.25Å; V1101-L1174 HydrophobicContact CG1-CD1 3.76Å; V1101-L1174 HydrophobicContact CG1-CG 3.61Å; V1101-L1174 HydrophobicContact CG2-CB 3.84Å; V1101-L1174 HydrophobicContact CG2-CD1 4.4Å; V1101-L1174 HydrophobicContact CG2-CG 4.15Å; T1103-L1174 HydrophobicContact CG2-CB 3.82Å; A1121-L1174 HydrophobicContact CB-CD1 4.2Å; L1138-L1174 HydrophobicContact CD1-CD1 4.05Å; L1138-L1174 HydrophobicContact CD1-CD2 3.79Å; V1171-L1174 HydrophobicContact CG1-CD2 3.98Å; V1171-L1174 HydrophobicContact CG1-CG 4.25Å; L1174-L1181 HydrophobicContact CD2-CD1 4.43Å; L1174-L1182 WeakPolarHBondContact CA-O 3.11Å; L1174-T1183 HydrophobicContact CD2-CG2 3.51Å
1175C96.2Very high95.4Very high9 Ų927.5 Ų27.56%0.06114%0.139CC..EExtended strand (participates in β ladder)trans-156.1171.5162.966.60000110L1182 M1214C1175-L1182 PolarHBondContact N-O 3.28Å; C1175-L1182 WeakPolarHBondContact O-CA 3.39Å; C1175-L1182 WeakPolarHBondContact O-CB 3.37Å; C1175-L1182 PolarHBondContact O-N 3.01Å; C1175-L1182 VanDerWaalsContact SG-CB 3.6Å; C1175-L1182 VanDerWaalsContact SG-CD1 3.54Å; C1175-M1214 HydrophobicContact CB-CB 4.14Å
1176A95.4Very high95.2Very high20 Ų2024.1 Ų24.117%0.16513%0.128CC..EExtended strand (participates in β ladder)trans-118.4139.5172.600000111V1105 L1107 Y1180 S1216V1105-A1176 HydrophobicContact CB-CB 3.95Å; V1105-A1176 HydrophobicContact CG1-CB 4.18Å; L1107-A1176 HydrophobicContact CD2-CB 4.24Å; A1176-Y1180 VanDerWaalsContact CA-O 3.3Å; A1176-Y1180 WeakPolarHBondContact CA-O 3.25Å; A1176-S1216 VanDerWaalsContact O-CB 3.32Å; A1176-S1216 WeakPolarHBondContact O-CB 3.08Å; A1176-S1216 PolarHBondContact O-OG 3.35Å
1177A93.5Very high95.2Very high5 Ų522.8 Ų22.84%0.04112%0.122CC..EExtended strand (participates in β ladder)trans-140.3128.2174.800000110.6G1179 Y1180 L1182 I1221A1177-G1179 PolarHBondContact O-N 3.49Å; A1177-G1179 VanDerWaalsContact O-N 3.12Å; A1177-Y1180 PolarHBondContact N-O 3.37Å; A1177-Y1180 PolarHBondContact O-N 3.02Å; A1177-L1182 HydrophobicContact CB-CD1 3.47Å; A1177-L1182 VanDerWaalsContact CB-CD1 3.47Å; A1177-I1221 HydrophobicContact CB-CD1 4.25Å; A1177-I1221 HydrophobicContact CB-CG1 4.22Å
1178N90.5Very high95.2Very high53 Ų5325 Ų2528%0.28313%0.131SC..THydrogen-bonded Turntrans48.336.2-175.7-68.8-5.6000113.2K1108 Y1180 R1218 Y1235K1108-N1178 WeakPolarHBondContact CE-O 3.44Å; N1178-Y1180 VanDerWaalsContact C-N 3.29Å; N1178-Y1180 HydrophobicContact CB-CD2 4.42Å; N1178-Y1180 PolarHBondContact O-N 2.53Å; N1178-R1218 PolarHBondContact OD1-O 3.22Å; N1178-Y1235 HydrophobicContact CB-CD1 4.46Å
1179G92.3Very high95.5Very high7 Ų716.5 Ų16.57%0.0729%0.094CC..THydrogen-bonded Turntrans70.114.8-17800000116.2Q1106 L1107 K1108 A1177Q1106-G1179 WeakPolarHBondContact O-CA 3.46Å; L1107-G1179 WeakPolarHBondContact CA-O 3.46Å; K1108-G1179 PolarHBondContact N-O 2.99Å; A1177-G1179 PolarHBondContact O-N 3.49Å; A1177-G1179 VanDerWaalsContact O-N 3.12Å
1180Y95.6Very high95.6Very high25 Ų2518.1 Ų18.110%0.09810%0.097CC..EExtended strand (participates in β ladder)trans-97.7146.1165.5-62-74.9000110.2K1108 A1176 A1177 N1178 I1191 T1193 I1202 Y1235K1108-Y1180 PolarHBondContact NZ-OH 3.08Å; A1176-Y1180 VanDerWaalsContact CA-O 3.3Å; A1176-Y1180 WeakPolarHBondContact CA-O 3.25Å; A1177-Y1180 PolarHBondContact N-O 3.37Å; A1177-Y1180 PolarHBondContact O-N 3.02Å; N1178-Y1180 VanDerWaalsContact C-N 3.29Å; N1178-Y1180 HydrophobicContact CB-CD2 4.42Å; N1178-Y1180 PolarHBondContact O-N 2.53Å; Y1180-I1191 HydrophobicContact CD1-CG2 4.47Å; Y1180-I1191 HydrophobicContact CG-CG2 4.14Å; Y1180-T1193 HydrophobicContact CE1-CG2 4.49Å; Y1180-T1193 WeakPolarHBondContact CE1-OG1 3.3Å; Y1180-I1202 HydrophobicContact CD1-CD1 3.47Å; Y1180-I1202 VanDerWaalsContact CD1-CD1 3.47Å; Y1180-I1202 HydrophobicContact CE1-CD1 3.48Å; Y1180-I1202 VanDerWaalsContact CE1-CD1 3.48Å; Y1180-I1202 HydrophobicContact CG-CD1 4.34Å; Y1180-Y1235 HydrophobicContact CD2-CE1 4.21Å; Y1180-Y1235 HydrophobicContact CD2-CE2 4.49Å; Y1180-Y1235 AromaticContact CD2-CZ 3.91Å; Y1180-Y1235 HydrophobicContact CE2-CE1 4.01Å; Y1180-Y1235 AromaticContact CE2-CZ 3.72Å; Y1180-Y1235 WeakPolarHBondContact CE2-OH 3.25Å
1181L97.2Very high95.7Very high0 Ų017.1 Ų17.10%09%0.09CC..EExtended strand (participates in β ladder)trans-84.3131.1172.6-178.566.3000109.3V1105 L1107 L1138 I1140 L1174 T1183 W1192 L1199V1105-L1181 HydrophobicContact CB-CD1 4.32Å; V1105-L1181 HydrophobicContact CG1-CD1 3.91Å; V1105-L1181 HydrophobicContact CG2-CD1 4.24Å; L1107-L1181 HydrophobicContact CD1-CB 4.45Å; L1107-L1181 HydrophobicContact CD2-CB 3.76Å; L1107-L1181 HydrophobicContact CD2-CD1 4.37Å; L1138-L1181 HydrophobicContact CD2-CD2 4.04Å; I1140-L1181 HydrophobicContact CD1-CD2 3.95Å; I1140-L1181 HydrophobicContact CG1-CD2 4.48Å; L1174-L1181 HydrophobicContact CD2-CD1 4.43Å; L1181-T1183 HydrophobicContact CD2-CG2 4.21Å; L1181-T1183 HydrophobicContact CG-CG2 4.14Å; L1181-W1192 HydrophobicContact CB-CB 4.26Å; L1181-W1192 PolarHBondContact N-O 2.75Å; L1181-W1192 PolarHBondContact O-N 3.12Å; L1181-L1199 HydrophobicContact CD2-CD1 4.08Å; L1181-L1199 HydrophobicContact CD2-CD2 4.01Å
1182L97.5Very high95.6Very high3 Ų318.6 Ų18.62%0.01610%0.095CC..EExtended strand (participates in β ladder)trans-113.2127.9176.5-70.4158.3000109.3L1174 C1175 A1177 V1189 Y1190 I1191 M1214 I1221 L1242L1174-L1182 WeakPolarHBondContact CA-O 3.11Å; C1175-L1182 PolarHBondContact N-O 3.28Å; C1175-L1182 WeakPolarHBondContact O-CA 3.39Å; C1175-L1182 WeakPolarHBondContact O-CB 3.37Å; C1175-L1182 PolarHBondContact O-N 3.01Å; C1175-L1182 VanDerWaalsContact SG-CB 3.6Å; C1175-L1182 VanDerWaalsContact SG-CD1 3.54Å; A1177-L1182 HydrophobicContact CB-CD1 3.47Å; A1177-L1182 VanDerWaalsContact CB-CD1 3.47Å; L1182-V1189 HydrophobicContact CD2-CG1 4.15Å; L1182-Y1190 WeakPolarHBondContact CA-O 3.37Å; L1182-I1191 HydrophobicContact CD2-CB 4.34Å; L1182-I1191 HydrophobicContact CD2-CG1 3.81Å; L1182-I1191 HydrophobicContact CD2-CG2 4.36Å; L1182-M1214 HydrophobicContact CB-CE 4.3Å; L1182-I1221 HydrophobicContact CD1-CD1 4.38Å; L1182-I1221 HydrophobicContact CD1-CG1 3.73Å; L1182-L1242 HydrophobicContact CD2-CD1 3.68Å; L1182-L1242 HydrophobicContact CD2-CD2 4.36Å; L1182-L1242 HydrophobicContact CD2-CG 4.38Å
1183T97.5Very high95.5Very high0 Ų020.5 Ų20.50%011%0.107CC..EExtended strand (participates in β ladder)trans-124.6124-178.267.30000110.3L1138 L1174 L1181 M1185 V1189 Y1190 W1192L1138-T1183 HydrophobicContact CD2-CG2 3.87Å; L1174-T1183 HydrophobicContact CD2-CG2 3.51Å; L1181-T1183 HydrophobicContact CD2-CG2 4.21Å; L1181-T1183 HydrophobicContact CG-CG2 4.14Å; T1183-M1185 WeakPolarHBondContact OG1-CE 3.41Å; T1183-V1189 CarbonylContact O-C 3.57Å; T1183-V1189 WeakPolarHBondContact O-CA 3.38Å; T1183-Y1190 PolarHBondContact N-O 3.23Å; T1183-Y1190 PolarHBondContact O-N 2.86Å; T1183-W1192 VanDerWaalsContact CG2-CD1 3.48Å; T1183-W1192 VanDerWaalsContact CG2-NE1 3.33Å; T1183-W1192 PolarHBondContact OG1-NE1 2.83Å
1184G96.8Very high95.5Very high0 Ų021.1 Ų21.10%011%0.11CC..EExtended strand (participates in β ladder)trans-78.9124.3163.900000108.6V1171 T1172 S1173 K1188V1171-G1184 CarbonylContact C-O 3.59Å; T1172-G1184 PolarHBondContact N-O 2.85Å; T1172-G1184 PolarHBondContact OG1-O 2.9Å; S1173-G1184 PolarHBondContact N-O 3.48Å; S1173-G1184 PolarHBondContact O-N 3.3Å; S1173-G1184 WeakPolarHBondContact OG-CA 3.22Å; G1184-K1188 CarbonylContact C-O 3.58Å; G1184-K1188 WeakPolarHBondContact CA-O 3.33Å
1185M95.3Very high95.3Very high17 Ų1725.4 Ų25.48%0.08413%0.128CC..EExtended strand (participates in β ladder)trans-125.789.3178.6-67.7-178.5176.700108.8Q1167 P1170 V1171 T1183 Q1187 K1188 Y1190 W1192Q1167-M1185 HydrophobicContact CB-CE 3.68Å; Q1167-M1185 HydrophobicContact CB-SD 4.2Å; Q1167-M1185 HydrophobicContact CG-CE 3.56Å; P1170-M1185 WeakPolarHBondContact O-CA 3.13Å; V1171-M1185 HydrophobicContact CG2-CE 4.5Å; T1183-M1185 WeakPolarHBondContact OG1-CE 3.41Å; M1185-Q1187 PolarHBondContact O-N 3.19Å; M1185-Q1187 VanDerWaalsContact O-N 3.12Å; M1185-K1188 PolarHBondContact N-O 2.89Å; M1185-K1188 PolarHBondContact O-N 2.88Å; M1185-K1188 VanDerWaalsContact O-N 3.13Å; M1185-Y1190 HydrophobicContact CB-CD2 4.09Å; M1185-Y1190 HydrophobicContact CB-CE2 3.96Å; M1185-Y1190 HydrophobicContact CG-CD2 3.99Å; M1185-Y1190 HydrophobicContact CG-CE2 4.23Å; M1185-Y1190 HydrophobicContact SD-CD2 3.49Å; M1185-Y1190 WeakPolarHBondContact SD-CD2 3.44Å; M1185-Y1190 HydrophobicContact SD-CE2 3.61Å; M1185-Y1190 HydrophobicContact SD-CG 4.29Å; M1185-W1192 HydrophobicContact CE-CZ2 3.71Å; M1185-W1192 HydrophobicContact SD-CZ2 4.45Å
1186G92.8Very high95Very high14 Ų1431.4 Ų31.414%0.14416%0.16CC..THydrogen-bonded Turntrans60.2-112.5-168.700000110.2P1170 V1211P1170-G1186 PolarHBondContact O-N 2.79Å; G1186-V1211 WeakPolarHBondContact O-CB 3.4Å; G1186-V1211 WeakPolarHBondContact O-CG2 3.43Å; G1186-V1211 PolarHBondContact O-N 3.31Å
1187Q93.5Very high94.9Very high82 Ų8234.2 Ų34.238%0.38317%0.172SC..THydrogen-bonded Turntrans-87.2-10.7179.672.6-17846.800114.8M1185 D1206 L1207 I1209M1185-Q1187 PolarHBondContact O-N 3.19Å; M1185-Q1187 VanDerWaalsContact O-N 3.12Å; Q1187-D1206 WeakPolarHBondContact CG-OD1 3.47Å; Q1187-D1206 PolarHBondContact NE2-OD1 3.02Å; Q1187-L1207 WeakPolarHBondContact O-CA 3.34Å; Q1187-L1207 WeakPolarHBondContact O-CB 3.44Å; Q1187-L1207 PolarHBondContact O-N 2.96Å; Q1187-I1209 WeakPolarHBondContact CB-O 3.31Å
1188K95.9Very high95Very high65 Ų6538 Ų3828%0.28319%0.189SC..EExtended strand (participates in β ladder)trans-105.6144-172-70.2-179.9-177.71790112G1184 M1185 Y1190 F1204 D1206G1184-K1188 CarbonylContact C-O 3.58Å; G1184-K1188 WeakPolarHBondContact CA-O 3.33Å; M1185-K1188 PolarHBondContact N-O 2.89Å; M1185-K1188 PolarHBondContact O-N 2.88Å; M1185-K1188 VanDerWaalsContact O-N 3.13Å; K1188-Y1190 HydrophobicContact CB-CD2 4.26Å; K1188-Y1190 HydrophobicContact CB-CE2 3.67Å; K1188-Y1190 HydrophobicContact CD-CE2 4.42Å; K1188-F1204 HydrophobicContact CD-CD2 4.44Å; K1188-D1206 WeakPolarHBondContact CE-OD1 3.17Å; K1188-D1206 WeakPolarHBondContact CG-OD1 3.47Å
1189V96.7Very high95.2Very high0 Ų036.2 Ų36.20%018%0.179CC..EExtended strand (participates in β ladder)trans-108.3122170.2-177.60000109.1L1182 T1183 F1204 L1205 L1207 V1211 M1214 L1242L1182-V1189 HydrophobicContact CD2-CG1 4.15Å; T1183-V1189 CarbonylContact O-C 3.57Å; T1183-V1189 WeakPolarHBondContact O-CA 3.38Å; V1189-F1204 CarbonylContact O-C 3.59Å; V1189-F1204 WeakPolarHBondContact O-CA 3.44Å; V1189-F1204 WeakPolarHBondContact O-CB 3.36Å; V1189-L1205 PolarHBondContact N-O 2.82Å; V1189-L1205 PolarHBondContact O-N 2.81Å; V1189-L1207 HydrophobicContact CG2-CD1 3.65Å; V1189-L1207 HydrophobicContact CG2-CG 4.29Å; V1189-V1211 HydrophobicContact CG2-CG1 4.1Å; V1189-V1211 HydrophobicContact CG2-CG2 4.02Å; V1189-M1214 HydrophobicContact CG1-SD 3.86Å; V1189-M1214 HydrophobicContact CG2-SD 3.95Å; V1189-L1242 HydrophobicContact CB-CD1 4.37Å; V1189-L1242 HydrophobicContact CG1-CD1 3.72Å
1190Y96.6Very high95.3Very high47 Ų4740.3 Ų40.318%0.18420%0.202CC..EExtended strand (participates in β ladder)trans-104.6146.3176.1-67.9-97.2000111.1L1182 T1183 M1185 K1188 W1192 F1204L1182-Y1190 WeakPolarHBondContact CA-O 3.37Å; T1183-Y1190 PolarHBondContact N-O 3.23Å; T1183-Y1190 PolarHBondContact O-N 2.86Å; M1185-Y1190 HydrophobicContact CB-CD2 4.09Å; M1185-Y1190 HydrophobicContact CB-CE2 3.96Å; M1185-Y1190 HydrophobicContact CG-CD2 3.99Å; M1185-Y1190 HydrophobicContact CG-CE2 4.23Å; M1185-Y1190 HydrophobicContact SD-CD2 3.49Å; M1185-Y1190 WeakPolarHBondContact SD-CD2 3.44Å; M1185-Y1190 HydrophobicContact SD-CE2 3.61Å; M1185-Y1190 HydrophobicContact SD-CG 4.29Å; K1188-Y1190 HydrophobicContact CB-CD2 4.26Å; K1188-Y1190 HydrophobicContact CB-CE2 3.67Å; K1188-Y1190 HydrophobicContact CD-CE2 4.42Å; Y1190-W1192 VanDerWaalsContact CB-NE1 3.32Å; Y1190-W1192 HydrophobicContact CD1-CZ2 4.13Å; Y1190-W1192 AromaticContact CG-CZ2 3.97Å; Y1190-W1192 HydrophobicContact CG-CZ2 3.97Å; Y1190-F1204 HydrophobicContact CD1-CB 3.52Å; Y1190-F1204 HydrophobicContact CD1-CG 4.4Å; Y1190-F1204 HydrophobicContact CE1-CB 3.67Å; Y1190-F1204 HydrophobicContact CE1-CD1 4.32Å; Y1190-F1204 HydrophobicContact CE1-CG 4.08Å; Y1190-F1204 HydrophobicContact CG-CB 4.02Å
1191I96.4Very high95.2Very high0 Ų041.2 Ų41.20%022%0.219CC..EExtended strand (participates in β ladder)trans-107.2127.9171.5-42.3179000108.7Y1180 L1182 I1202 S1203 Y1235 L1242Y1180-I1191 HydrophobicContact CD1-CG2 4.47Å; Y1180-I1191 HydrophobicContact CG-CG2 4.14Å; L1182-I1191 HydrophobicContact CD2-CB 4.34Å; L1182-I1191 HydrophobicContact CD2-CG1 3.81Å; L1182-I1191 HydrophobicContact CD2-CG2 4.36Å; I1191-I1202 HydrophobicContact CB-CB 4.42Å; I1191-I1202 HydrophobicContact CG2-CD1 3.9Å; I1191-I1202 PolarHBondContact O-N 3.08Å; I1191-S1203 WeakPolarHBondContact CD1-OG 3.03Å; I1191-S1203 PolarHBondContact N-O 3.01Å; I1191-Y1235 HydrophobicContact CD1-CD2 4.01Å; I1191-Y1235 HydrophobicContact CD1-CE2 3.96Å; I1191-L1242 HydrophobicContact CD1-CB 4.41Å; I1191-L1242 HydrophobicContact CD1-CD1 3.98Å; I1191-L1242 HydrophobicContact CD1-CG 3.6Å; I1191-L1242 HydrophobicContact CG1-CD1 3.75Å; I1191-L1242 HydrophobicContact CG1-CG 3.97Å
1192W96.1Very high95.1Very high31 Ų3143.8 Ų43.812%0.11723%0.233CC..EExtended strand (participates in β ladder)trans-120.5141179.8-50.288.6000111.1L1181 T1183 M1185 Y1190 L1199 V1200 G1201L1181-W1192 HydrophobicContact CB-CB 4.26Å; L1181-W1192 PolarHBondContact N-O 2.75Å; L1181-W1192 PolarHBondContact O-N 3.12Å; T1183-W1192 VanDerWaalsContact CG2-CD1 3.48Å; T1183-W1192 VanDerWaalsContact CG2-NE1 3.33Å; T1183-W1192 PolarHBondContact OG1-NE1 2.83Å; M1185-W1192 HydrophobicContact CE-CZ2 3.71Å; M1185-W1192 HydrophobicContact SD-CZ2 4.45Å; Y1190-W1192 VanDerWaalsContact CB-NE1 3.32Å; Y1190-W1192 HydrophobicContact CD1-CZ2 4.13Å; Y1190-W1192 AromaticContact CG-CZ2 3.97Å; Y1190-W1192 HydrophobicContact CG-CZ2 3.97Å; W1192-L1199 HydrophobicContact CB-CB 4.38Å; W1192-L1199 HydrophobicContact CB-CD2 3.74Å; W1192-L1199 HydrophobicContact CD2-CB 4.37Å; W1192-L1199 HydrophobicContact CE3-CB 3.89Å; W1192-L1199 HydrophobicContact CG-CD2 4.45Å; W1192-V1200 WeakPolarHBondContact CA-O 3.4Å; W1192-G1201 VanDerWaalsContact CE3-N 3.31Å
1193T95.7Very high95Very high44 Ų4445 Ų4527%0.2724%0.241SC..EExtended strand (participates in β ladder)trans-94.2129.1160.4-53.50000107.8Y1180 L1199 V1200 I1202Y1180-T1193 HydrophobicContact CE1-CG2 4.49Å; Y1180-T1193 WeakPolarHBondContact CE1-OG1 3.3Å; T1193-L1199 WeakPolarHBondContact O-CA 2.99Å; T1193-V1200 PolarHBondContact N-O 3.4Å; T1193-V1200 PolarHBondContact O-N 3.46Å; T1193-I1202 WeakPolarHBondContact OG1-CD1 3.4Å; T1193-I1202 WeakPolarHBondContact OG1-CG1 2.8Å
1194F96.2Very high94.9Very high15 Ų1550.8 Ų50.87%0.06627%0.266CS..EExtended strand (participates in β ladder)trans-97118.9171.2-173.8-121.5000108.9L1107 Y1119 I1140 L1162 E1198 L1199L1107-F1194 HydrophobicContact CD1-CB 3.82Å; L1107-F1194 HydrophobicContact CD1-CD1 3.97Å; L1107-F1194 HydrophobicContact CD1-CG 4.09Å; Y1119-F1194 HydrophobicContact CE1-CE1 4.42Å; Y1119-F1194 HydrophobicContact CE2-CD1 4.04Å; Y1119-F1194 HydrophobicContact CE2-CE1 4.08Å; Y1119-F1194 AromaticContact CZ-CE1 3.99Å; I1140-F1194 HydrophobicContact CB-CZ 4.5Å; I1140-F1194 HydrophobicContact CD1-CD2 3.63Å; I1140-F1194 HydrophobicContact CD1-CE2 3.75Å; I1140-F1194 HydrophobicContact CD1-CG 4.07Å; I1140-F1194 HydrophobicContact CD1-CZ 4.29Å; I1140-F1194 HydrophobicContact CG2-CE1 4.17Å; I1140-F1194 HydrophobicContact CG2-CZ 4.04Å; L1162-F1194 HydrophobicContact CB-CZ 4Å; L1162-F1194 HydrophobicContact CD1-CE1 4.22Å; L1162-F1194 HydrophobicContact CD1-CZ 4.13Å; F1194-E1198 WeakPolarHBondContact CA-O 3.49Å; F1194-E1198 WeakPolarHBondContact CD2-O 3.45Å; F1194-L1199 HydrophobicContact CB-CD2 3.77Å; F1194-L1199 HydrophobicContact CD2-CD2 3.69Å; F1194-L1199 HydrophobicContact CD2-CG 4.07Å; F1194-L1199 HydrophobicContact CG-CD2 4.16Å
1195K93.2Very high94.8Very high96 Ų9652.4 Ų52.442%0.41728%0.275SS..EExtended strand (participates in β ladder)trans-152.6141.5177.2-177.9166.6178.8156.60109.1E1110 N1197 E1198E1110-K1195 IonicContact OE1-NZ 2.66Å; E1110-K1195 PolarHBondContact OE1-NZ 2.92Å; E1110-K1195 IonicContact OE2-NZ 3.4Å; E1110-K1195 PolarHBondContact OE2-NZ 2.79Å; K1195-N1197 PolarHBondContact O-N 3Å; K1195-E1198 PolarHBondContact N-O 3.28Å; K1195-E1198 PolarHBondContact O-N 3.24Å; K1195-E1198 VanDerWaalsContact O-O 3.07Å
1196D90.7Very high94.8Very high136 Ų13655.5 Ų55.573%0.72729%0.292SS*.THydrogen-bonded Turntrans53.438.9179.6-54.5-38.1000113.5E1198D1196-E1198 PolarHBondContact O-N 3.21Å
1197N92.8Very high94.9Very high79 Ų7956.2 Ų56.242%0.42229%0.292SS..THydrogen-bonded Turntrans59.219.2-174.7-60.7-25.7000115K1195K1195-N1197 PolarHBondContact O-N 3Å
1198E95Very high94.8Very high84 Ų8455.9 Ų55.939%0.39329%0.291SS..EExtended strand (participates in β ladder)trans-121.5148.1177.6-73.6-69.6177.500111.3K1165 F1194 K1195 D1196K1165-E1198 IonicContact NZ-OE1 3.7Å; K1165-E1198 PolarHBondContact NZ-OE1 2.97Å; K1165-E1198 IonicContact NZ-OE2 2.66Å; K1165-E1198 PolarHBondContact NZ-OE2 2.79Å; F1194-E1198 WeakPolarHBondContact CA-O 3.49Å; F1194-E1198 WeakPolarHBondContact CD2-O 3.45Å; K1195-E1198 PolarHBondContact N-O 3.28Å; K1195-E1198 PolarHBondContact O-N 3.24Å; K1195-E1198 VanDerWaalsContact O-O 3.07Å; D1196-E1198 PolarHBondContact O-N 3.21Å
1199L95.6Very high94.6Very high16 Ų1656.4 Ų56.48%0.08430%0.296CS..EExtended strand (participates in β ladder)trans-100.8118.7173.3-72.4174.2000110.4L1138 I1140 Y1163 L1181 W1192 T1193 F1194L1138-L1199 HydrophobicContact CD2-CD1 3.28Å; L1138-L1199 HydrophobicContact CG-CD1 4.21Å; I1140-L1199 HydrophobicContact CD1-CD1 3.92Å; I1140-L1199 HydrophobicContact CD1-CD2 3.77Å; I1140-L1199 HydrophobicContact CD1-CG 4Å; Y1163-L1199 HydrophobicContact CD1-CD1 3.89Å; Y1163-L1199 HydrophobicContact CD1-CG 4.5Å; Y1163-L1199 HydrophobicContact CD2-CG 4.3Å; Y1163-L1199 HydrophobicContact CE1-CD1 3.58Å; Y1163-L1199 HydrophobicContact CE1-CG 4.34Å; Y1163-L1199 HydrophobicContact CE2-CB 4.02Å; Y1163-L1199 HydrophobicContact CE2-CD1 4.21Å; Y1163-L1199 HydrophobicContact CE2-CG 4.1Å; Y1163-L1199 HydrophobicContact CG-CD1 4.33Å; Y1163-L1199 HydrophobicContact CG-CG 4.47Å; L1181-L1199 HydrophobicContact CD2-CD1 4.08Å; L1181-L1199 HydrophobicContact CD2-CD2 4.01Å; W1192-L1199 HydrophobicContact CB-CB 4.38Å; W1192-L1199 HydrophobicContact CB-CD2 3.74Å; W1192-L1199 HydrophobicContact CD2-CB 4.37Å; W1192-L1199 HydrophobicContact CE3-CB 3.89Å; W1192-L1199 HydrophobicContact CG-CD2 4.45Å; T1193-L1199 WeakPolarHBondContact O-CA 2.99Å; F1194-L1199 HydrophobicContact CB-CD2 3.77Å; F1194-L1199 HydrophobicContact CD2-CD2 3.69Å; F1194-L1199 HydrophobicContact CD2-CG 4.07Å; F1194-L1199 HydrophobicContact CG-CD2 4.16Å
1200V95.1Very high94.5Very high92 Ų9259.3 Ų59.356%0.55831%0.307SS*.EExtended strand (participates in β ladder)trans-104115.7174.6-176.80000109W1192 T1193 I1202W1192-V1200 WeakPolarHBondContact CA-O 3.4Å; T1193-V1200 PolarHBondContact N-O 3.4Å; T1193-V1200 PolarHBondContact O-N 3.46Å; V1200-I1202 PolarHBondContact O-N 2.62Å
1201G93.4Very high94.5Very high44 Ų4457.1 Ų57.145%0.45430%0.299SS..EExtended strand (participates in β ladder)trans-68.6124.2177.400000111W1192W1192-G1201 VanDerWaalsContact CE3-N 3.31Å
1202I94.3Very high94.5Very high55 Ų5560.8 Ų60.828%0.28232%0.315SS..EExtended strand (participates in β ladder)trans-92-54.8-179.2-53.3173.8000110Y1180 I1191 T1193 V1200 K1240Y1180-I1202 HydrophobicContact CD1-CD1 3.47Å; Y1180-I1202 VanDerWaalsContact CD1-CD1 3.47Å; Y1180-I1202 HydrophobicContact CE1-CD1 3.48Å; Y1180-I1202 VanDerWaalsContact CE1-CD1 3.48Å; Y1180-I1202 HydrophobicContact CG-CD1 4.34Å; I1191-I1202 HydrophobicContact CB-CB 4.42Å; I1191-I1202 HydrophobicContact CG2-CD1 3.9Å; I1191-I1202 PolarHBondContact O-N 3.08Å; T1193-I1202 WeakPolarHBondContact OG1-CD1 3.4Å; T1193-I1202 WeakPolarHBondContact OG1-CG1 2.8Å; V1200-I1202 PolarHBondContact O-N 2.62Å; I1202-K1240 HydrophobicContact CG2-CB 3.92Å; I1202-K1240 WeakPolarHBondContact CG2-O 3.45Å
1203S95.3Very high94.5Very high28 Ų2863.3 Ų63.320%0.19633%0.327CS..EExtended strand (participates in β ladder)trans-160.4170.6-176.260.80000109.6I1191 K1240I1191-S1203 WeakPolarHBondContact CD1-OG 3.03Å; I1191-S1203 PolarHBondContact N-O 3.01Å; S1203-K1240 PolarHBondContact OG-O 3.34Å
1204F94.8Very high94.6Very high121 Ų12161.6 Ų61.653%0.53132%0.315SS..EExtended strand (participates in β ladder)trans-139.9159.917569.1-87.6000110.1K1188 V1189 Y1190K1188-F1204 HydrophobicContact CD-CD2 4.44Å; V1189-F1204 CarbonylContact O-C 3.59Å; V1189-F1204 WeakPolarHBondContact O-CA 3.44Å; V1189-F1204 WeakPolarHBondContact O-CB 3.36Å; Y1190-F1204 HydrophobicContact CD1-CB 3.52Å; Y1190-F1204 HydrophobicContact CD1-CG 4.4Å; Y1190-F1204 HydrophobicContact CE1-CB 3.67Å; Y1190-F1204 HydrophobicContact CE1-CD1 4.32Å; Y1190-F1204 HydrophobicContact CE1-CG 4.08Å; Y1190-F1204 HydrophobicContact CG-CB 4.02Å
1205L96Very high94.6Very high35 Ų3562.3 Ų62.318%0.18332%0.321CS..EExtended strand (participates in β ladder)trans-127.9132.3171.8-176.668.8000108.7V1189 L1207 L1233 L1242V1189-L1205 PolarHBondContact N-O 2.82Å; V1189-L1205 PolarHBondContact O-N 2.81Å; L1205-L1207 HydrophobicContact CD2-CD2 4.06Å; L1205-L1207 HydrophobicContact CG-CD2 4.36Å; L1205-L1233 HydrophobicContact CD2-CD1 3.87Å; L1205-L1233 HydrophobicContact CD2-CD2 3.6Å; L1205-L1233 HydrophobicContact CD2-CG 4.3Å; L1205-L1242 HydrophobicContact CB-CB 4.16Å; L1205-L1242 HydrophobicContact CB-CD1 4.48Å; L1205-L1242 HydrophobicContact CD2-CB 4.07Å
1206D95.7Very high94.7Very high81 Ų8159.3 Ų59.343%0.43331%0.312SS..EExtended strand (participates in β ladder)trans-87.9127.2175.3-15216000109.4Q1187 K1188Q1187-D1206 WeakPolarHBondContact CG-OD1 3.47Å; Q1187-D1206 PolarHBondContact NE2-OD1 3.02Å; K1188-D1206 WeakPolarHBondContact CE-OD1 3.17Å; K1188-D1206 WeakPolarHBondContact CG-OD1 3.47Å
1207L94.8Very high94.8Very high29 Ų2954.6 Ų54.615%0.15229%0.287CS..  trans-106.9-156.4172.5-59.8179.8000109.3Q1187 V1189 L1205 V1211 V1223 L1233Q1187-L1207 WeakPolarHBondContact O-CA 3.34Å; Q1187-L1207 WeakPolarHBondContact O-CB 3.44Å; Q1187-L1207 PolarHBondContact O-N 2.96Å; V1189-L1207 HydrophobicContact CG2-CD1 3.65Å; V1189-L1207 HydrophobicContact CG2-CG 4.29Å; L1205-L1207 HydrophobicContact CD2-CD2 4.06Å; L1205-L1207 HydrophobicContact CG-CD2 4.36Å; L1207-V1211 HydrophobicContact CB-CG2 4.37Å; L1207-V1211 HydrophobicContact CD1-CG2 3.84Å; L1207-V1223 HydrophobicContact CD1-CB 4.31Å; L1207-V1223 HydrophobicContact CD1-CG1 3.66Å; L1207-V1223 HydrophobicContact CD1-CG2 4.38Å; L1207-L1233 HydrophobicContact CD1-CD1 4.48Å; L1207-L1233 HydrophobicContact CD2-CD2 4.08Å
1208Q89.7Confident94.6Very high75 Ų7560.7 Ų60.735%0.3530%0.304SS..SBendtrans-93.8-65.6-165.8-66.7179.8-75.200114Q1228Q1208-Q1228 HydrophobicContact CB-CB 4.31Å; Q1208-Q1228 HydrophobicContact CB-CG 4.1Å
1209I93.4Very high94.5Very high76 Ų7659 Ų5939%0.3930%0.298SS..SBendtrans-125.8-65.4-168.6-56.3-174.1000111.5Q1187 D1225 F1227 Q1228Q1187-I1209 WeakPolarHBondContact CB-O 3.31Å; I1209-D1225 PolarHBondContact N-OD2 3.41Å; I1209-F1227 HydrophobicContact CD1-CB 4.05Å; I1209-F1227 HydrophobicContact CG2-CD2 3.87Å; I1209-Q1228 HydrophobicContact CD1-CG 3.59Å; I1209-Q1228 HydrophobicContact CG1-CG 3.93Å
1210Y94.8Very high94.5Very high61 Ų6160.5 Ų60.524%0.23931%0.305CS..  trans-154.2110.7-173.4-174.7-88000110.4M1125 T1172 F1212 D1225 A1226M1125-Y1210 WeakPolarHBondContact CE-OH 3.27Å; T1172-Y1210 HydrophobicContact CG2-CD2 4.17Å; T1172-Y1210 HydrophobicContact CG2-CE1 4.12Å; T1172-Y1210 HydrophobicContact CG2-CE2 3.32Å; T1172-Y1210 VanDerWaalsContact CG2-OH 3.23Å; T1172-Y1210 WeakPolarHBondContact CG2-OH 3.37Å; Y1210-F1212 VanDerWaalsContact C-N 3.34Å; Y1210-F1212 HydrophobicContact CD1-CB 4.03Å; Y1210-F1212 HydrophobicContact CE1-CB 4.25Å; Y1210-F1212 HydrophobicContact CE1-CD2 4.18Å; Y1210-F1212 PolarHBondContact O-N 3.49Å; Y1210-D1225 PolarHBondContact N-OD2 3.45Å; Y1210-D1225 VanDerWaalsContact O-CA 3.26Å; Y1210-D1225 WeakPolarHBondContact O-CA 3.27Å; Y1210-A1226 HydrophobicContact CD1-CB 3.89Å; Y1210-A1226 HydrophobicContact CG-CB 4.37Å; Y1210-A1226 PolarHBondContact O-N 3.43Å
1211V96.6Very high94.6Very high1 Ų156.2 Ų56.21%0.00628%0.278CS..EExtended strand (participates in β ladder)trans-72.888.3179.8-1740000109T1172 S1173 G1186 V1189 L1207 M1214 V1223T1172-V1211 VanDerWaalsContact CB-O 3.3Å; T1172-V1211 WeakPolarHBondContact CB-O 3.38Å; T1172-V1211 PolarHBondContact OG1-O 3.41Å; S1173-V1211 WeakPolarHBondContact OG-CG1 3.27Å; S1173-V1211 PolarHBondContact OG-O 3.16Å; G1186-V1211 WeakPolarHBondContact O-CB 3.4Å; G1186-V1211 WeakPolarHBondContact O-CG2 3.43Å; G1186-V1211 PolarHBondContact O-N 3.31Å; V1189-V1211 HydrophobicContact CG2-CG1 4.1Å; V1189-V1211 HydrophobicContact CG2-CG2 4.02Å; L1207-V1211 HydrophobicContact CB-CG2 4.37Å; L1207-V1211 HydrophobicContact CD1-CG2 3.84Å; V1211-M1214 HydrophobicContact CG1-CG 3.72Å; V1211-M1214 HydrophobicContact CG1-SD 3.91Å; V1211-V1223 HydrophobicContact CG1-CG1 3.64Å
1212F95Very high94.8Very high78 Ų7854.1 Ų54.134%0.34226%0.257SS..EExtended strand (participates in β ladder)trans-76.6-44.5-173.4175.1-100.3000112.9Y1210 G1224 A1226 V1254 M1255Y1210-F1212 VanDerWaalsContact C-N 3.34Å; Y1210-F1212 HydrophobicContact CD1-CB 4.03Å; Y1210-F1212 HydrophobicContact CE1-CB 4.25Å; Y1210-F1212 HydrophobicContact CE1-CD2 4.18Å; Y1210-F1212 PolarHBondContact O-N 3.49Å; F1212-G1224 PolarHBondContact N-O 2.84Å; F1212-A1226 HydrophobicContact CB-CB 4.32Å; F1212-V1254 WeakPolarHBondContact CD1-O 3.38Å; F1212-M1255 VanDerWaalsContact CE1-O 3.32Å; F1212-M1255 WeakPolarHBondContact CE1-O 3.33Å
1213K96.3Very high95Very high84 Ų8451.6 Ų51.637%0.36524%0.244SC..EExtended strand (participates in β ladder)trans-142.4144.3-179.4-167.875.2173-171.10110.4V1215 V1223 G1224 I1257K1213-V1215 HydrophobicContact CG-CG2 4.48Å; K1213-V1223 WeakPolarHBondContact O-CA 3.29Å; K1213-G1224 PolarHBondContact N-O 3.03Å; K1213-G1224 PolarHBondContact O-N 3.4Å; K1213-I1257 HydrophobicContact CB-CD1 4.29Å; K1213-I1257 HydrophobicContact CB-CG1 3.97Å; K1213-I1257 HydrophobicContact CG-CD1 4.31Å; K1213-I1257 HydrophobicContact CG-CG1 3.77Å
1214M97.2Very high95Very high7 Ų750.3 Ų50.33%0.03424%0.235CC..EExtended strand (participates in β ladder)trans-131.6136.4171.4-62.8-169.6-6600109.9C1175 L1182 V1189 V1211 I1221 L1222 V1223C1175-M1214 HydrophobicContact CB-CB 4.14Å; L1182-M1214 HydrophobicContact CB-CE 4.3Å; V1189-M1214 HydrophobicContact CG1-SD 3.86Å; V1189-M1214 HydrophobicContact CG2-SD 3.95Å; V1211-M1214 HydrophobicContact CG1-CG 3.72Å; V1211-M1214 HydrophobicContact CG1-SD 3.91Å; M1214-I1221 HydrophobicContact CB-CG2 4.41Å; M1214-L1222 WeakPolarHBondContact CA-O 3.35Å; M1214-V1223 HydrophobicContact CG-CG1 4.26Å; M1214-V1223 HydrophobicContact CG-CG2 4.06Å; M1214-V1223 HydrophobicContact SD-CG2 4.36Å
1215V96.5Very high95.1Very high30 Ų3044.9 Ų44.918%0.18221%0.212CC..EExtended strand (participates in β ladder)trans-134.1138.1174-174.20000108.3K1213 I1221 L1222 I1257 F1259K1213-V1215 HydrophobicContact CG-CG2 4.48Å; V1215-I1221 CarbonylContact O-C 3.56Å; V1215-I1221 WeakPolarHBondContact O-CA 3.46Å; V1215-L1222 PolarHBondContact N-O 3.16Å; V1215-L1222 PolarHBondContact O-N 2.97Å; V1215-I1257 HydrophobicContact CG2-CD1 4.2Å; V1215-I1257 HydrophobicContact CG2-CG1 4.12Å; V1215-I1257 WeakPolarHBondContact CG2-O 3.46Å; V1215-F1259 HydrophobicContact CB-CE2 4.2Å; V1215-F1259 HydrophobicContact CG1-CD2 4.01Å; V1215-F1259 HydrophobicContact CG1-CE2 3.91Å; V1215-F1259 WeakPolarHBondContact O-CE2 3.35Å
1216S95.7Very high95Very high33 Ų3344.2 Ų44.223%0.23121%0.211CC..EExtended strand (participates in β ladder)trans-121.6149.3-174.458.50000112.6A1176 M1220A1176-S1216 VanDerWaalsContact O-CB 3.32Å; A1176-S1216 WeakPolarHBondContact O-CB 3.08Å; A1176-S1216 PolarHBondContact O-OG 3.35Å; S1216-M1220 CarbonylContact C-O 3.5Å; S1216-M1220 WeakPolarHBondContact CA-O 3.41Å
1217I92.4Very high94.8Very high38 Ų3845.4 Ų45.420%0.19521%0.213CC..EExtended strand (participates in β ladder)trans-139.9120.2165-65.9174.8000107.7N1219 M1220 F1259 I1261 L1266I1217-N1219 PolarHBondContact O-N 3.39Å; I1217-M1220 PolarHBondContact N-O 2.63Å; I1217-M1220 PolarHBondContact O-N 2.96Å; I1217-F1259 HydrophobicContact CB-CE2 4.3Å; I1217-F1259 HydrophobicContact CB-CZ 4.3Å; I1217-F1259 HydrophobicContact CD1-CB 3.52Å; I1217-F1259 HydrophobicContact CD1-CD1 3.73Å; I1217-F1259 HydrophobicContact CD1-CD2 3.34Å; I1217-F1259 HydrophobicContact CD1-CE1 4.2Å; I1217-F1259 HydrophobicContact CD1-CE2 3.84Å; I1217-F1259 HydrophobicContact CD1-CG 3.26Å; I1217-F1259 HydrophobicContact CD1-CZ 4.24Å; I1217-F1259 HydrophobicContact CG1-CD1 4.48Å; I1217-F1259 HydrophobicContact CG1-CD2 3.63Å; I1217-F1259 HydrophobicContact CG1-CE2 3.66Å; I1217-F1259 HydrophobicContact CG1-CG 4.06Å; I1217-F1259 HydrophobicContact CG1-CZ 4.12Å; I1217-I1261 HydrophobicContact CD1-CD1 4.3Å; I1217-L1266 HydrophobicContact CD1-CD1 4.33Å
1218R89.2Confident94.7Very high206 Ų20646.2 Ų46.278%0.77722%0.216SC*.THydrogen-bonded Turntrans52.8-114.3-177.5-59.3177.7176.1-178.7-2109.8N1178N1178-R1218 PolarHBondContact OD1-O 3.22Å
1219N92.4Very high94.9Very high50 Ų5042.6 Ų42.627%0.26720%0.199SC..THydrogen-bonded Turntrans-103.59.2179.168.1-25.4000114.2I1217 R1234 Y1235I1217-N1219 PolarHBondContact O-N 3.39Å; N1219-R1234 CarbonylContact O-C 3.56Å; N1219-R1234 WeakPolarHBondContact O-CA 3.27Å; N1219-Y1235 PolarHBondContact O-N 2.74Å
1220M95.3Very high95.1Very high47 Ų4739 Ų3923%0.23218%0.181CC..EExtended strand (participates in β ladder)trans-104.8132.6176.5-65.4-18065.400109.6S1216 I1217 L1232 L1266 F1268S1216-M1220 CarbonylContact C-O 3.5Å; S1216-M1220 WeakPolarHBondContact CA-O 3.41Å; I1217-M1220 PolarHBondContact N-O 2.63Å; I1217-M1220 PolarHBondContact O-N 2.96Å; M1220-L1232 HydrophobicContact CB-CD1 4.44Å; M1220-L1232 HydrophobicContact CE-CD1 3.72Å; M1220-L1232 HydrophobicContact CE-CD2 3.75Å; M1220-L1232 HydrophobicContact CE-CG 4.21Å; M1220-L1266 HydrophobicContact CE-CD2 3.89Å; M1220-L1266 HydrophobicContact SD-CD2 3.89Å; M1220-F1268 HydrophobicContact CE-CE1 4.13Å; M1220-F1268 HydrophobicContact CE-CZ 4Å
1221I97.5Very high95.2Very high1 Ų136.5 Ų36.51%0.00517%0.172CC..EExtended strand (participates in β ladder)trans-124.7118.9180-53.280.7000107.5A1177 L1182 M1214 V1215 V1223 L1233 L1242A1177-I1221 HydrophobicContact CB-CD1 4.25Å; A1177-I1221 HydrophobicContact CB-CG1 4.22Å; L1182-I1221 HydrophobicContact CD1-CD1 4.38Å; L1182-I1221 HydrophobicContact CD1-CG1 3.73Å; M1214-I1221 HydrophobicContact CB-CG2 4.41Å; V1215-I1221 CarbonylContact O-C 3.56Å; V1215-I1221 WeakPolarHBondContact O-CA 3.46Å; I1221-V1223 HydrophobicContact CG2-CG2 4.04Å; I1221-L1233 HydrophobicContact CB-CB 4.21Å; I1221-L1233 PolarHBondContact N-O 2.84Å; I1221-L1233 PolarHBondContact O-N 2.79Å; I1221-L1242 HydrophobicContact CD1-CD2 3.68Å; I1221-L1242 HydrophobicContact CG1-CD2 4.48Å
1222L97.7Very high95.2Very high0 Ų036.5 Ų36.50%017%0.172CC..EExtended strand (participates in β ladder)trans-89.9129.6170.9-174.166000108.2M1214 V1215 V1230 I1257 F1259 F1268M1214-L1222 WeakPolarHBondContact CA-O 3.35Å; V1215-L1222 PolarHBondContact N-O 3.16Å; V1215-L1222 PolarHBondContact O-N 2.97Å; L1222-V1230 HydrophobicContact CD1-CB 4.24Å; L1222-V1230 HydrophobicContact CD1-CG1 4.02Å; L1222-V1230 HydrophobicContact CG-CG1 4.27Å; L1222-I1257 HydrophobicContact CB-CD1 4.22Å; L1222-I1257 HydrophobicContact CD2-CB 3.91Å; L1222-I1257 HydrophobicContact CD2-CD1 4.12Å; L1222-I1257 HydrophobicContact CG-CB 4.43Å; L1222-I1257 HydrophobicContact CG-CD1 3.82Å; L1222-I1257 WeakPolarHBondContact O-CD1 3.32Å; L1222-F1259 HydrophobicContact CB-CE1 4.26Å; L1222-F1259 HydrophobicContact CB-CE2 4.08Å; L1222-F1259 HydrophobicContact CB-CZ 3.79Å; L1222-F1268 HydrophobicContact CD1-CB 3.93Å; L1222-F1268 HydrophobicContact CD1-CD1 4.19Å; L1222-F1268 HydrophobicContact CD1-CG 4.01Å; L1222-F1268 HydrophobicContact CD2-CB 3.88Å; L1222-F1268 HydrophobicContact CD2-CD1 4.38Å; L1222-F1268 HydrophobicContact CD2-CG 4.48Å
1223V97.9Very high95.3Very high3 Ų332.9 Ų32.92%0.01816%0.156CC..EExtended strand (participates in β ladder)trans-122.5125-177.1-178.80000109L1207 V1211 K1213 M1214 I1221 V1230 S1231 L1233L1207-V1223 HydrophobicContact CD1-CB 4.31Å; L1207-V1223 HydrophobicContact CD1-CG1 3.66Å; L1207-V1223 HydrophobicContact CD1-CG2 4.38Å; V1211-V1223 HydrophobicContact CG1-CG1 3.64Å; K1213-V1223 WeakPolarHBondContact O-CA 3.29Å; M1214-V1223 HydrophobicContact CG-CG1 4.26Å; M1214-V1223 HydrophobicContact CG-CG2 4.06Å; M1214-V1223 HydrophobicContact SD-CG2 4.36Å; I1221-V1223 HydrophobicContact CG2-CG2 4.04Å; V1223-V1230 CarbonylContact O-C 3.45Å; V1223-V1230 VanDerWaalsContact O-CA 3.27Å; V1223-V1230 WeakPolarHBondContact O-CA 3.22Å; V1223-V1230 WeakPolarHBondContact O-CG1 3.29Å; V1223-S1231 PolarHBondContact N-O 3.16Å; V1223-S1231 PolarHBondContact O-N 3.03Å; V1223-L1233 HydrophobicContact CG2-CD1 3.65Å; V1223-L1233 HydrophobicContact CG2-CG 3.87Å
1224G97Very high95.2Very high0 Ų035.3 Ų35.30%016%0.163CC..EExtended strand (participates in β ladder)trans-97.7126.5170.500000110F1212 K1213F1212-G1224 PolarHBondContact N-O 2.84Å; K1213-G1224 PolarHBondContact N-O 3.03Å; K1213-G1224 PolarHBondContact O-N 3.4Å
1225D96.3Very high95.2Very high8 Ų835.3 Ų35.34%0.04316%0.162CC..EExtended strand (participates in β ladder)trans-95.8143.8171.6-174.5-75.9000109.8I1209 Y1210 F1227 Q1228 S1229 V1254I1209-D1225 PolarHBondContact N-OD2 3.41Å; Y1210-D1225 PolarHBondContact N-OD2 3.45Å; Y1210-D1225 VanDerWaalsContact O-CA 3.26Å; Y1210-D1225 WeakPolarHBondContact O-CA 3.27Å; D1225-F1227 PolarHBondContact O-N 2.92Å; D1225-F1227 VanDerWaalsContact O-N 3.11Å; D1225-F1227 PolarHBondContact OD1-N 3.13Å; D1225-Q1228 HydrophobicContact CB-CB 4.12Å; D1225-Q1228 PolarHBondContact OD1-N 3.03Å; D1225-S1229 PolarHBondContact N-O 2.96Å; D1225-V1254 WeakPolarHBondContact O-CB 3.39Å; D1225-V1254 WeakPolarHBondContact O-CG2 3.06Å
1226A93.1Very high95Very high21 Ų2137 Ų3717%0.17417%0.168CC..SBendtrans-61.6-18.7-179.100000114Y1210 F1212 E1253Y1210-A1226 HydrophobicContact CD1-CB 3.89Å; Y1210-A1226 HydrophobicContact CG-CB 4.37Å; Y1210-A1226 PolarHBondContact O-N 3.43Å; F1212-A1226 HydrophobicContact CB-CB 4.32Å; A1226-E1253 VanDerWaalsContact O-CA 3.28Å; A1226-E1253 WeakPolarHBondContact O-CA 3.39Å
1227F92.2Very high94.7Very high105 Ų10541.8 Ų41.846%0.46119%0.187SC..SBendtrans-138.3-26.1-178-62.5-79000114.2I1209 D1225 S1251 L1252 E1253I1209-F1227 HydrophobicContact CD1-CB 4.05Å; I1209-F1227 HydrophobicContact CG2-CD2 3.87Å; D1225-F1227 PolarHBondContact O-N 2.92Å; D1225-F1227 VanDerWaalsContact O-N 3.11Å; D1225-F1227 PolarHBondContact OD1-N 3.13Å; F1227-S1251 WeakPolarHBondContact O-CA 3.3Å; F1227-S1251 WeakPolarHBondContact O-CB 3.38Å; F1227-L1252 CarbonylContact C-O 3.49Å; F1227-L1252 VanDerWaalsContact C-O 3.23Å; F1227-L1252 PolarHBondContact O-N 3.16Å; F1227-L1252 VanDerWaalsContact O-N 3.09Å; F1227-E1253 HydrophobicContact CD1-CG 4.2Å
1228Q92.9Very high94.6Very high46 Ų4648.4 Ų48.422%0.21522%0.217CC..BIsolated β-bridgetrans-106.136.6-175.5-63.3-69.7-21.400113.3Q1208 I1209 D1225Q1208-Q1228 HydrophobicContact CB-CB 4.31Å; Q1208-Q1228 HydrophobicContact CB-CG 4.1Å; I1209-Q1228 HydrophobicContact CD1-CG 3.59Å; I1209-Q1228 HydrophobicContact CG1-CG 3.93Å; D1225-Q1228 HydrophobicContact CB-CB 4.12Å; D1225-Q1228 PolarHBondContact OD1-N 3.03Å
1229S94.3Very high94.7Very high0 Ų045.2 Ų45.20%021%0.209CC..  trans57.5-143.6170.4-167.60000113D1225 D1248 H1250 L1252D1225-S1229 PolarHBondContact N-O 2.96Å; S1229-D1248 WeakPolarHBondContact CB-OD2 3.2Å; S1229-D1248 WeakPolarHBondContact OG-CB 3.48Å; S1229-D1248 PolarHBondContact OG-OD2 2.62Å; S1229-H1250 WeakPolarHBondContact CB-O 3.4Å; S1229-L1252 PolarHBondContact N-O 3.27Å; S1229-L1252 VanDerWaalsContact N-O 3.08Å
1230V96.7Very high94.5Very high1 Ų148.5 Ų48.51%0.00622%0.221CC..EExtended strand (participates in β ladder)trans-110.9135.6-171.1-100.50000112.7L1222 V1223 D1248 I1257 A1270 Y1280L1222-V1230 HydrophobicContact CD1-CB 4.24Å; L1222-V1230 HydrophobicContact CD1-CG1 4.02Å; L1222-V1230 HydrophobicContact CG-CG1 4.27Å; V1223-V1230 CarbonylContact O-C 3.45Å; V1223-V1230 VanDerWaalsContact O-CA 3.27Å; V1223-V1230 WeakPolarHBondContact O-CA 3.22Å; V1223-V1230 WeakPolarHBondContact O-CG1 3.29Å; V1230-D1248 HydrophobicContact CG2-CB 4.45Å; V1230-D1248 PolarHBondContact O-N 3.27Å; V1230-I1257 HydrophobicContact CG1-CB 4.47Å; V1230-I1257 HydrophobicContact CG1-CG2 3.44Å; V1230-I1257 VanDerWaalsContact CG1-CG2 3.44Å; V1230-A1270 HydrophobicContact CG1-CB 4.29Å; V1230-A1270 HydrophobicContact CG2-CB 4.14Å; V1230-Y1280 HydrophobicContact CG2-CD2 3.67Å; V1230-Y1280 HydrophobicContact CG2-CE2 3.51Å; V1230-Y1280 HydrophobicContact CG2-CG 4.46Å
1231S96.8Very high94.4Very high8 Ų847.7 Ų47.76%0.05622%0.222CC..EExtended strand (participates in β ladder)trans-117.6140.5172.1-70.40000110.5V1223 R1247V1223-S1231 PolarHBondContact N-O 3.16Å; V1223-S1231 PolarHBondContact O-N 3.03Å; S1231-R1247 WeakPolarHBondContact OG-CB 3.38Å
1232L97.2Very high94.2Very high1 Ų148.4 Ų48.41%0.00523%0.225CC..EExtended strand (participates in β ladder)trans-107.2116.5175.4179.869.4000109.2M1220 A1245 S1246 F1268 L1282 L1295M1220-L1232 HydrophobicContact CB-CD1 4.44Å; M1220-L1232 HydrophobicContact CE-CD1 3.72Å; M1220-L1232 HydrophobicContact CE-CD2 3.75Å; M1220-L1232 HydrophobicContact CE-CG 4.21Å; L1232-A1245 HydrophobicContact CD2-CB 4.33Å; L1232-A1245 HydrophobicContact CG-CB 4.29Å; L1232-A1245 WeakPolarHBondContact O-CA 3.33Å; L1232-A1245 WeakPolarHBondContact O-CB 3.3Å; L1232-A1245 PolarHBondContact O-N 2.73Å; L1232-S1246 WeakPolarHBondContact CA-O 3.33Å; L1232-S1246 PolarHBondContact N-O 3.1Å; L1232-S1246 PolarHBondContact O-N 3.03Å; L1232-F1268 HydrophobicContact CD1-CE1 3.91Å; L1232-F1268 HydrophobicContact CD1-CZ 3.92Å; L1232-F1268 HydrophobicContact CD2-CE1 4.41Å; L1232-F1268 HydrophobicContact CD2-CE2 3.91Å; L1232-F1268 HydrophobicContact CD2-CZ 3.58Å; L1232-F1268 HydrophobicContact CG-CZ 4.33Å; L1232-L1282 HydrophobicContact CD2-CB 4.42Å; L1232-L1282 HydrophobicContact CD2-CD2 4.02Å; L1232-L1295 HydrophobicContact CB-CD1 4.41Å; L1232-L1295 HydrophobicContact CB-CD2 4.38Å; L1232-L1295 HydrophobicContact CD2-CD2 4.36Å
1233L96.9Very high94.1Very high1 Ų149.7 Ų49.71%0.00524%0.235CC..EExtended strand (participates in β ladder)trans-102154.8175.3-45.1-177.9000110.6L1205 L1207 I1221 V1223 L1242 S1243 L1244L1205-L1233 HydrophobicContact CD2-CD1 3.87Å; L1205-L1233 HydrophobicContact CD2-CD2 3.6Å; L1205-L1233 HydrophobicContact CD2-CG 4.3Å; L1207-L1233 HydrophobicContact CD1-CD1 4.48Å; L1207-L1233 HydrophobicContact CD2-CD2 4.08Å; I1221-L1233 HydrophobicContact CB-CB 4.21Å; I1221-L1233 PolarHBondContact N-O 2.84Å; I1221-L1233 PolarHBondContact O-N 2.79Å; V1223-L1233 HydrophobicContact CG2-CD1 3.65Å; V1223-L1233 HydrophobicContact CG2-CG 3.87Å; L1233-L1242 HydrophobicContact CB-CD2 4.32Å; L1233-L1242 HydrophobicContact CD1-CD1 4.36Å; L1233-S1243 WeakPolarHBondContact CA-O 3.49Å; L1233-L1244 HydrophobicContact CD2-CB 4.29Å; L1233-L1244 HydrophobicContact CD2-CD1 3.62Å
1234R95.2Very high93.9Very high136 Ų13653.3 Ų53.351%0.51325%0.253SS..EExtended strand (participates in β ladder)trans-127.8128173.2-176.7177.7179.8-176.6-0.5109.5N1219 S1243 A1245N1219-R1234 CarbonylContact O-C 3.56Å; N1219-R1234 WeakPolarHBondContact O-CA 3.27Å; R1234-S1243 PolarHBondContact N-O 2.8Å; R1234-S1243 PolarHBondContact O-N 3.1Å; R1234-S1243 PolarHBondContact O-OG 2.76Å; R1234-A1245 HydrophobicContact CB-CB 4.22Å
1235Y95.2Very high93.8Very high6 Ų655.1 Ų55.12%0.02427%0.268CS..EExtended strand (participates in β ladder)trans-78.2122.5168.8179.9-108.6000110N1178 Y1180 I1191 N1219 E1237N1178-Y1235 HydrophobicContact CB-CD1 4.46Å; Y1180-Y1235 HydrophobicContact CD2-CE1 4.21Å; Y1180-Y1235 HydrophobicContact CD2-CE2 4.49Å; Y1180-Y1235 AromaticContact CD2-CZ 3.91Å; Y1180-Y1235 HydrophobicContact CE2-CE1 4.01Å; Y1180-Y1235 AromaticContact CE2-CZ 3.72Å; Y1180-Y1235 WeakPolarHBondContact CE2-OH 3.25Å; I1191-Y1235 HydrophobicContact CD1-CD2 4.01Å; I1191-Y1235 HydrophobicContact CD1-CE2 3.96Å; N1219-Y1235 PolarHBondContact O-N 2.74Å; Y1235-E1237 HydrophobicContact CE1-CB 4.08Å; Y1235-E1237 HydrophobicContact CE1-CG 4.47Å
1236Q93.4Very high93.8Very high66 Ų6654.8 Ų54.831%0.30827%0.267SS..EExtended strand (participates in β ladder)trans-102.5101.8177.2-57.7-173.8-1.800109.2Q1238 F1239 K1240 A1241 S1243Q1236-Q1238 VanDerWaalsContact C-N 3.28Å; Q1236-Q1238 PolarHBondContact O-N 2.71Å; Q1236-F1239 HydrophobicContact CB-CB 4.49Å; Q1236-F1239 HydrophobicContact CB-CD2 3.99Å; Q1236-F1239 PolarHBondContact O-N 3.47Å; Q1236-F1239 VanDerWaalsContact O-N 3.13Å; Q1236-K1240 PolarHBondContact O-N 3.37Å; Q1236-A1241 PolarHBondContact N-O 3.18Å; Q1236-A1241 PolarHBondContact O-N 2.75Å; Q1236-S1243 VanDerWaalsContact NE2-CB 3.32Å; Q1236-S1243 PolarHBondContact NE2-OG 2.97Å
1237E88.7Confident93.9Very high133 Ų13357.2 Ų57.262%0.62127%0.271SS*.THydrogen-bonded Turntrans-59.4-37.1-174.4-174.2170.3-162.800113.2Y1235 F1239 K1240Y1235-E1237 HydrophobicContact CE1-CB 4.08Å; Y1235-E1237 HydrophobicContact CE1-CG 4.47Å; E1237-F1239 VanDerWaalsContact C-N 3.29Å; E1237-F1239 PolarHBondContact O-N 3.49Å; E1237-K1240 PolarHBondContact O-N 2.9Å
1238Q91.2Very high94Very high177 Ų17752.4 Ų52.483%0.82725%0.251SS*.THydrogen-bonded Turntrans-61-36.7178.1-67.3178.6-700112.9Q1236Q1236-Q1238 VanDerWaalsContact C-N 3.28Å; Q1236-Q1238 PolarHBondContact O-N 2.71Å
1239F90.2Very high93.8Very high139 Ų13954.4 Ų54.461%0.6126%0.26SS*.THydrogen-bonded Turntrans-100.2-5.6-178-58-72.7000112.9Q1236 E1237 A1241Q1236-F1239 HydrophobicContact CB-CB 4.49Å; Q1236-F1239 HydrophobicContact CB-CD2 3.99Å; Q1236-F1239 PolarHBondContact O-N 3.47Å; Q1236-F1239 VanDerWaalsContact O-N 3.13Å; E1237-F1239 VanDerWaalsContact C-N 3.29Å; E1237-F1239 PolarHBondContact O-N 3.49Å; F1239-A1241 HydrophobicContact CB-CB 4.25Å; F1239-A1241 PolarHBondContact O-N 3.14Å; F1239-A1241 VanDerWaalsContact O-N 3.15Å
1240K89.2Confident93.5Very high120 Ų12058.4 Ų58.452%0.52228%0.278SS..THydrogen-bonded Turntrans4837.8-172.6-58.7-177.2178.11800112.7I1202 S1203 Q1236 E1237I1202-K1240 HydrophobicContact CG2-CB 3.92Å; I1202-K1240 WeakPolarHBondContact CG2-O 3.45Å; S1203-K1240 PolarHBondContact OG-O 3.34Å; Q1236-K1240 PolarHBondContact O-N 3.37Å; E1237-K1240 PolarHBondContact O-N 2.9Å
1241A93Very high93.1Very high30 Ų3060.3 Ų60.325%0.24829%0.292CS..EExtended strand (participates in β ladder)trans-133.5153.9-17400000111.4Q1236 F1239Q1236-A1241 PolarHBondContact N-O 3.18Å; Q1236-A1241 PolarHBondContact O-N 2.75Å; F1239-A1241 HydrophobicContact CB-CB 4.25Å; F1239-A1241 PolarHBondContact O-N 3.14Å; F1239-A1241 VanDerWaalsContact O-N 3.15Å
1242L94.1Very high92.7Very high15 Ų1560.5 Ų60.58%0.07929%0.292CS..EExtended strand (participates in β ladder)trans-86.4137.6168-71.8163.7000109.6L1182 V1189 I1191 L1205 I1221 L1233L1182-L1242 HydrophobicContact CD2-CD1 3.68Å; L1182-L1242 HydrophobicContact CD2-CD2 4.36Å; L1182-L1242 HydrophobicContact CD2-CG 4.38Å; V1189-L1242 HydrophobicContact CB-CD1 4.37Å; V1189-L1242 HydrophobicContact CG1-CD1 3.72Å; I1191-L1242 HydrophobicContact CD1-CB 4.41Å; I1191-L1242 HydrophobicContact CD1-CD1 3.98Å; I1191-L1242 HydrophobicContact CD1-CG 3.6Å; I1191-L1242 HydrophobicContact CG1-CD1 3.75Å; I1191-L1242 HydrophobicContact CG1-CG 3.97Å; L1205-L1242 HydrophobicContact CB-CB 4.16Å; L1205-L1242 HydrophobicContact CB-CD1 4.48Å; L1205-L1242 HydrophobicContact CD2-CB 4.07Å; I1221-L1242 HydrophobicContact CD1-CD2 3.68Å; I1221-L1242 HydrophobicContact CG1-CD2 4.48Å; L1233-L1242 HydrophobicContact CB-CD2 4.32Å; L1233-L1242 HydrophobicContact CD1-CD1 4.36Å
1243S94.2Very high92.5Very high28 Ų2863.7 Ų63.720%0.19631%0.307CS..EExtended strand (participates in β ladder)trans-119.4139.6168.861.10000109.7L1233 R1234 Q1236 A1245L1233-S1243 WeakPolarHBondContact CA-O 3.49Å; R1234-S1243 PolarHBondContact N-O 2.8Å; R1234-S1243 PolarHBondContact O-N 3.1Å; R1234-S1243 PolarHBondContact O-OG 2.76Å; Q1236-S1243 VanDerWaalsContact NE2-CB 3.32Å; Q1236-S1243 PolarHBondContact NE2-OG 2.97Å; S1243-A1245 PolarHBondContact O-N 3.34Å
1244L95.2Very high92.4Very high78 Ų7863.9 Ų63.941%0.40831%0.308SS..EExtended strand (participates in β ladder)trans-67.2114.5167.4-179.464.2000108.9L1233 R1247L1233-L1244 HydrophobicContact CD2-CB 4.29Å; L1233-L1244 HydrophobicContact CD2-CD1 3.62Å; L1244-R1247 HydrophobicContact CD1-CB 4.37Å
1245A94.6Very high92.4Very high38 Ų3859.8 Ų59.831%0.31430%0.296SS..EExtended strand (participates in β ladder)trans-84.3-43.1178.800000111.5L1232 R1234 S1243L1232-A1245 HydrophobicContact CD2-CB 4.33Å; L1232-A1245 HydrophobicContact CG-CB 4.29Å; L1232-A1245 WeakPolarHBondContact O-CA 3.33Å; L1232-A1245 WeakPolarHBondContact O-CB 3.3Å; L1232-A1245 PolarHBondContact O-N 2.73Å; R1234-A1245 HydrophobicContact CB-CB 4.22Å; S1243-A1245 PolarHBondContact O-N 3.34Å
1246S96.4Very high92.5Very high2 Ų259.8 Ų59.81%0.01430%0.297CS..EExtended strand (participates in β ladder)trans-165.8162.2179.7-173.90000109.6L1232 G1292 Q1293 H1294 L1295L1232-S1246 WeakPolarHBondContact CA-O 3.33Å; L1232-S1246 PolarHBondContact N-O 3.1Å; L1232-S1246 PolarHBondContact O-N 3.03Å; S1246-G1292 WeakPolarHBondContact CB-O 3.47Å; S1246-G1292 PolarHBondContact OG-O 2.98Å; S1246-Q1293 WeakPolarHBondContact CA-O 3.08Å; S1246-Q1293 PolarHBondContact OG-O 3.37Å; S1246-H1294 PolarHBondContact OG-O 2.88Å; S1246-L1295 WeakPolarHBondContact OG-CD2 3.31Å; S1246-L1295 WeakPolarHBondContact OG-CG 3.36Å; S1246-L1295 PolarHBondContact OG-N 3.24Å
1247R95.5Very high92.7Very high71 Ų7156.9 Ų56.927%0.26828%0.283SS..EExtended strand (participates in β ladder)trans-149.5158.917260.1174.5-179-173.1-2.5112.9S1231 L1244 H1249 Q1293 H1294 L1295S1231-R1247 WeakPolarHBondContact OG-CB 3.38Å; L1244-R1247 HydrophobicContact CD1-CB 4.37Å; R1247-H1249 PolarHBondContact NE-CE1 3.37Å; R1247-H1249 PolarHBondContact NE-NE2 3.35Å; R1247-H1249 PolarHBondContact NH2-CE1 3.22Å; R1247-H1249 VanDerWaalsContact NH2-CE1 3.35Å; R1247-Q1293 PolarHBondContact N-O 3.18Å; R1247-Q1293 VanDerWaalsContact N-O 3.08Å; R1247-H1294 CarbonylContact O-C 3.52Å; R1247-H1294 VanDerWaalsContact O-CA 3.28Å; R1247-H1294 WeakPolarHBondContact O-CA 3.33Å; R1247-L1295 PolarHBondContact O-N 3.2Å
1248D94.4Very high93.2Very high4 Ų451.2 Ų51.22%0.02126%0.257CS..  trans-75.4147.9161.2-175.426.8000109.7S1229 V1230 H1250 Y1280S1229-D1248 WeakPolarHBondContact CB-OD2 3.2Å; S1229-D1248 WeakPolarHBondContact OG-CB 3.48Å; S1229-D1248 PolarHBondContact OG-OD2 2.62Å; V1230-D1248 HydrophobicContact CG2-CB 4.45Å; V1230-D1248 PolarHBondContact O-N 3.27Å; D1248-H1250 IonicContact OD1-CE1 3.13Å; D1248-H1250 IonicContact OD1-CG 2.79Å; D1248-H1250 PolarHBondContact OD1-N 3.39Å; D1248-H1250 IonicContact OD1-ND1 2.82Å; D1248-H1250 PolarHBondContact OD1-ND1 2.66Å; D1248-Y1280 HydrophobicContact CB-CE1 4.03Å; D1248-Y1280 PolarHBondContact OD2-OH 2.74Å
1249H87.5Confident93.4Very high89 Ų8942.8 Ų42.841%0.41222%0.218SC..  trans-108.8-7.1-179.9-87.1-112.6000112.9R1247 H1294R1247-H1249 PolarHBondContact NE-CE1 3.37Å; R1247-H1249 PolarHBondContact NE-NE2 3.35Å; R1247-H1249 PolarHBondContact NH2-CE1 3.22Å; R1247-H1249 VanDerWaalsContact NH2-CE1 3.35Å; H1249-H1294 AromaticContact CD2-CE1 3.45Å; H1249-H1294 PolarHBondContact CD2-CE1 2.98Å; H1249-H1294 VanDerWaalsContact CD2-CE1 3.45Å; H1249-H1294 AromaticContact CD2-ND1 2.96Å; H1249-H1294 PolarHBondContact CD2-ND1 2.84Å; H1249-H1294 AromaticContact CE1-CE1 3.5Å; H1249-H1294 AromaticContact CE1-ND1 3.8Å; H1249-H1294 AromaticContact CG-CE1 3.93Å; H1249-H1294 AromaticContact CG-ND1 3.77Å; H1249-H1294 AromaticContact ND1-CE1 3.98Å; H1249-H1294 AromaticContact NE2-CE1 3.15Å; H1249-H1294 PolarHBondContact NE2-CE1 2.97Å; H1249-H1294 AromaticContact NE2-ND1 3.01Å; H1249-H1294 PolarHBondContact NE2-ND1 3.39Å
1250H88.1Confident93.7Very high83 Ų8336.2 Ų36.238%0.38419%0.189SC..SBendtrans-83.1140.4174.8-53.187.1000108.8S1229 D1248 L1252 Y1390S1229-H1250 WeakPolarHBondContact CB-O 3.4Å; D1248-H1250 IonicContact OD1-CE1 3.13Å; D1248-H1250 IonicContact OD1-CG 2.79Å; D1248-H1250 PolarHBondContact OD1-N 3.39Å; D1248-H1250 IonicContact OD1-ND1 2.82Å; D1248-H1250 PolarHBondContact OD1-ND1 2.66Å; H1250-L1252 PolarHBondContact O-N 2.94Å; H1250-Y1390 AromaticContact CD2-CD1 3.71Å; H1250-Y1390 AromaticContact CD2-CE1 3.54Å; H1250-Y1390 AromaticContact NE2-CD1 3.6Å; H1250-Y1390 AromaticContact NE2-CE1 3.92Å
1251S87.9Confident94Very high42 Ų4232 Ų3229%0.29417%0.172SC..  trans-69.9130.9171.9-55.20000109.4F1227 R1386F1227-S1251 WeakPolarHBondContact O-CA 3.3Å; F1227-S1251 WeakPolarHBondContact O-CB 3.38Å; S1251-R1386 PolarHBondContact OG-NH1 3.21Å; S1251-R1386 VanDerWaalsContact OG-NH1 3.09Å
1252L89.4Confident93.9Very high11 Ų1131.6 Ų31.66%0.05817%0.165CC..BIsolated β-bridgetrans-144.6131.4175.6-171.469.6000107.8F1227 S1229 H1250 V1254 A1270 D1272 F1278F1227-L1252 CarbonylContact C-O 3.49Å; F1227-L1252 VanDerWaalsContact C-O 3.23Å; F1227-L1252 PolarHBondContact O-N 3.16Å; F1227-L1252 VanDerWaalsContact O-N 3.09Å; S1229-L1252 PolarHBondContact N-O 3.27Å; S1229-L1252 VanDerWaalsContact N-O 3.08Å; H1250-L1252 PolarHBondContact O-N 2.94Å; L1252-V1254 HydrophobicContact CD2-CG2 4.4Å; L1252-V1254 PolarHBondContact O-N 3.47Å; L1252-A1270 HydrophobicContact CD2-CB 4.46Å; L1252-D1272 HydrophobicContact CD1-CB 3.51Å; L1252-D1272 HydrophobicContact CD2-CB 4.4Å; L1252-D1272 HydrophobicContact CG-CB 3.89Å; L1252-F1278 HydrophobicContact CD1-CD2 4.19Å; L1252-F1278 HydrophobicContact CD1-CE2 3.55Å; L1252-F1278 HydrophobicContact CD1-CZ 4.11Å; L1252-F1278 HydrophobicContact CD2-CD2 3.61Å; L1252-F1278 HydrophobicContact CD2-CE2 3.87Å; L1252-F1278 HydrophobicContact CD2-CG 4.48Å; L1252-F1278 HydrophobicContact CG-CE2 4.34Å
1253E92.4Very high93.7Very high69 Ų6933.8 Ų33.832%0.32218%0.177SC..  trans-82.692.5174.3-66.3174.5-172.800109.1A1226 F1227 M1255 D1272 T1273A1226-E1253 VanDerWaalsContact O-CA 3.28Å; A1226-E1253 WeakPolarHBondContact O-CA 3.39Å; F1227-E1253 HydrophobicContact CD1-CG 4.2Å; E1253-M1255 PolarHBondContact O-N 3.33Å; E1253-D1272 WeakPolarHBondContact O-CA 3.03Å; E1253-T1273 HydrophobicContact CB-CG2 3.72Å; E1253-T1273 PolarHBondContact O-N 3.21Å; E1253-T1273 WeakPolarHBondContact OE2-CG2 2.99Å; E1253-T1273 PolarHBondContact OE2-OG1 3.07Å
1254V95.6Very high93.3Very high5 Ų542.7 Ų42.73%0.0321%0.207CC..EExtended strand (participates in β ladder)trans-72.9127.9-170.8178.80000111.6F1212 D1225 L1252 I1257 S1271F1212-V1254 WeakPolarHBondContact CD1-O 3.38Å; D1225-V1254 WeakPolarHBondContact O-CB 3.39Å; D1225-V1254 WeakPolarHBondContact O-CG2 3.06Å; L1252-V1254 HydrophobicContact CD2-CG2 4.4Å; L1252-V1254 PolarHBondContact O-N 3.47Å; V1254-I1257 HydrophobicContact CG1-CG2 3.52Å; V1254-S1271 WeakPolarHBondContact CA-O 3.24Å
1255M95.4Very high93.1Very high50 Ų5045 Ų4525%0.24622%0.215CC..EExtended strand (participates in β ladder)trans-100.5-40.7175.3-75.6-67.4-49.800112.9F1212 E1253 S1271 T1273 I1308F1212-M1255 VanDerWaalsContact CE1-O 3.32Å; F1212-M1255 WeakPolarHBondContact CE1-O 3.33Å; E1253-M1255 PolarHBondContact O-N 3.33Å; M1255-S1271 WeakPolarHBondContact CB-OG 3.32Å; M1255-S1271 PolarHBondContact N-O 2.9Å; M1255-T1273 HydrophobicContact CG-CG2 3.92Å; M1255-T1273 HydrophobicContact SD-CG2 3.83Å; M1255-I1308 HydrophobicContact CE-CG1 4.21Å; M1255-I1308 HydrophobicContact CE-CG2 4.35Å
1256A97Very high93.1Very high6 Ų646 Ų465%0.0522%0.215CC..EExtended strand (participates in β ladder)trans-151.5153.3177.100000110.9A1270 S1271 F1310A1256-A1270 CarbonylContact O-C 3.55Å; A1256-A1270 WeakPolarHBondContact O-CA 3.46Å; A1256-S1271 WeakPolarHBondContact CB-OG 3.16Å; A1256-S1271 PolarHBondContact N-OG 2.87Å; A1256-S1271 PolarHBondContact O-N 2.98Å; A1256-S1271 PolarHBondContact O-OG 2.83Å; A1256-F1310 VanDerWaalsContact C-CE2 3.44Å; A1256-F1310 HydrophobicContact CB-CD1 4.21Å; A1256-F1310 HydrophobicContact CB-CD2 3.66Å; A1256-F1310 HydrophobicContact CB-CE1 4.12Å; A1256-F1310 HydrophobicContact CB-CE2 3.56Å; A1256-F1310 HydrophobicContact CB-CG 4Å; A1256-F1310 HydrophobicContact CB-CZ 3.8Å; A1256-F1310 WeakPolarHBondContact O-CE2 3.47Å
1257I97.8Very high93.1Very high5 Ų545.9 Ų45.93%0.02621%0.214CC..EExtended strand (participates in β ladder)trans-141.9145.1177.652.9155.2000111.1K1213 V1215 L1222 V1230 V1254 L1269 A1270K1213-I1257 HydrophobicContact CB-CD1 4.29Å; K1213-I1257 HydrophobicContact CB-CG1 3.97Å; K1213-I1257 HydrophobicContact CG-CD1 4.31Å; K1213-I1257 HydrophobicContact CG-CG1 3.77Å; V1215-I1257 HydrophobicContact CG2-CD1 4.2Å; V1215-I1257 HydrophobicContact CG2-CG1 4.12Å; V1215-I1257 WeakPolarHBondContact CG2-O 3.46Å; L1222-I1257 HydrophobicContact CB-CD1 4.22Å; L1222-I1257 HydrophobicContact CD2-CB 3.91Å; L1222-I1257 HydrophobicContact CD2-CD1 4.12Å; L1222-I1257 HydrophobicContact CG-CB 4.43Å; L1222-I1257 HydrophobicContact CG-CD1 3.82Å; L1222-I1257 WeakPolarHBondContact O-CD1 3.32Å; V1230-I1257 HydrophobicContact CG1-CB 4.47Å; V1230-I1257 HydrophobicContact CG1-CG2 3.44Å; V1230-I1257 VanDerWaalsContact CG1-CG2 3.44Å; V1254-I1257 HydrophobicContact CG1-CG2 3.52Å; I1257-L1269 VanDerWaalsContact CA-O 3.29Å; I1257-L1269 WeakPolarHBondContact CA-O 3.38Å; I1257-A1270 HydrophobicContact CG2-CB 4.01Å
1258D97.4Very high93.1Very high13 Ų1342.6 Ų42.67%0.0720%0.202CC..EExtended strand (participates in β ladder)trans-160.2175.5168.2-154-20.2000110L1269 F1310 R1312 L1334D1258-L1269 PolarHBondContact N-O 2.93Å; D1258-L1269 VanDerWaalsContact N-O 3.1Å; D1258-L1269 PolarHBondContact O-N 2.89Å; D1258-F1310 HydrophobicContact CB-CB 4.17Å; D1258-F1310 HydrophobicContact CB-CD2 4Å; D1258-R1312 IonicContact OD1-CZ 2.89Å; D1258-R1312 IonicContact OD1-NE 3.37Å; D1258-R1312 PolarHBondContact OD1-NE 2.93Å; D1258-R1312 IonicContact OD1-NH2 2.81Å; D1258-R1312 WeakPolarHBondContact OD2-CB 2.84Å; D1258-R1312 IonicContact OD2-NE 3.73Å; D1258-L1334 HydrophobicContact CB-CD2 3.87Å; D1258-L1334 WeakPolarHBondContact OD2-CD2 3.41Å
1259F97Very high93.3Very high0 Ų042.5 Ų42.50%020%0.201CC..EExtended strand (participates in β ladder)trans-96.2134.2177.6-62.3-97.4000111.7V1215 I1217 L1222 L1266 S1267 F1268 R1312V1215-F1259 HydrophobicContact CB-CE2 4.2Å; V1215-F1259 HydrophobicContact CG1-CD2 4.01Å; V1215-F1259 HydrophobicContact CG1-CE2 3.91Å; V1215-F1259 WeakPolarHBondContact O-CE2 3.35Å; I1217-F1259 HydrophobicContact CB-CE2 4.3Å; I1217-F1259 HydrophobicContact CB-CZ 4.3Å; I1217-F1259 HydrophobicContact CD1-CB 3.52Å; I1217-F1259 HydrophobicContact CD1-CD1 3.73Å; I1217-F1259 HydrophobicContact CD1-CD2 3.34Å; I1217-F1259 HydrophobicContact CD1-CE1 4.2Å; I1217-F1259 HydrophobicContact CD1-CE2 3.84Å; I1217-F1259 HydrophobicContact CD1-CG 3.26Å; I1217-F1259 HydrophobicContact CD1-CZ 4.24Å; I1217-F1259 HydrophobicContact CG1-CD1 4.48Å; I1217-F1259 HydrophobicContact CG1-CD2 3.63Å; I1217-F1259 HydrophobicContact CG1-CE2 3.66Å; I1217-F1259 HydrophobicContact CG1-CG 4.06Å; I1217-F1259 HydrophobicContact CG1-CZ 4.12Å; L1222-F1259 HydrophobicContact CB-CE1 4.26Å; L1222-F1259 HydrophobicContact CB-CE2 4.08Å; L1222-F1259 HydrophobicContact CB-CZ 3.79Å; F1259-L1266 HydrophobicContact CB-CD1 4.03Å; F1259-L1266 HydrophobicContact CD1-CD1 3.92Å; F1259-L1266 HydrophobicContact CD1-CD2 4.1Å; F1259-L1266 HydrophobicContact CD1-CG 4.16Å; F1259-L1266 HydrophobicContact CE1-CD2 4.38Å; F1259-L1266 HydrophobicContact CG-CD1 4.39Å; F1259-S1267 CarbonylContact C-O 3.49Å; F1259-S1267 WeakPolarHBondContact CA-O 3.2Å; F1259-F1268 AromaticContact CD1-CD1 3.58Å; F1259-F1268 HydrophobicContact CD1-CD1 3.58Å; F1259-F1268 AromaticContact CD1-CE1 3.7Å; F1259-F1268 HydrophobicContact CD1-CE1 3.7Å; F1259-F1268 AromaticContact CE1-CD1 3.83Å; F1259-F1268 HydrophobicContact CE1-CD1 3.83Å; F1259-F1268 AromaticContact CE1-CE1 3.7Å; F1259-F1268 HydrophobicContact CE1-CE1 3.7Å; F1259-R1312 WeakPolarHBondContact O-CD 3.38Å
1260V96.2Very high93.7Very high1 Ų138.2 Ų38.21%0.00618%0.181CC..EExtended strand (participates in β ladder)trans-92.8120.6169.9-168.20000109M1 S1267 L1269 L1334 F1346 P1348M1-V1260 HydrophobicContact CE-CB 4.19Å; M1-V1260 HydrophobicContact CE-CG1 3.68Å; M1-V1260 HydrophobicContact SD-CB 3.86Å; M1-V1260 HydrophobicContact SD-CG1 3.53Å; M1-V1260 VanDerWaalsContact SD-CG1 3.53Å; V1260-S1267 PolarHBondContact N-O 2.73Å; V1260-S1267 PolarHBondContact O-N 3.13Å; V1260-L1269 HydrophobicContact CG2-CB 3.81Å; V1260-L1334 HydrophobicContact CG2-CD1 3.86Å; V1260-F1346 HydrophobicContact CG1-CE1 4.04Å; V1260-F1346 HydrophobicContact CG2-CD1 4.41Å; V1260-F1346 HydrophobicContact CG2-CE1 3.87Å; V1260-P1348 HydrophobicContact CG1-CB 3.88Å; V1260-P1348 HydrophobicContact CG1-CG 3.9Å
1261I94.3Very high94.2Very high33 Ų3334.3 Ų34.317%0.16916%0.163CC..EExtended strand (participates in β ladder)trans-111.2121.9-179.8-59.5177.7000110.2I1217 L1266 H1332I1217-I1261 HydrophobicContact CD1-CD1 4.3Å; I1261-L1266 HydrophobicContact CG1-CD1 3.84Å; I1261-H1332 HydrophobicContact CB-CB 4.13Å; I1261-H1332 PolarHBondContact O-N 2.81Å
1262D92.1Very high94.5Very high20 Ų2032.4 Ų32.411%0.10715%0.15CC..EExtended strand (participates in β ladder)trans-130.594.5168.9-17633.5000110.7M1 R1264 H1265 R1331 P1348M1-D1262 HydrophobicContact CE-CB 3.45Å; M1-D1262 VanDerWaalsContact CE-CB 3.45Å; D1262-R1264 PolarHBondContact O-N 3.23Å; D1262-H1265 PolarHBondContact N-O 3.08Å; D1262-H1265 PolarHBondContact O-N 2.88Å; D1262-R1331 IonicContact OD1-CZ 3.5Å; D1262-R1331 VanDerWaalsContact OD1-CZ 3.3Å; D1262-R1331 IonicContact OD1-NE 3.47Å; D1262-R1331 PolarHBondContact OD1-NE 3.18Å; D1262-R1331 IonicContact OD1-NH2 3.76Å; D1262-R1331 PolarHBondContact OD1-NH2 3.41Å; D1262-R1331 IonicContact OD2-NH2 2.67Å; D1262-P1348 HydrophobicContact CB-CB 3.85Å; D1262-P1348 HydrophobicContact CB-CG 3.83Å
1263N88.9Confident94.6Very high62 Ų6233.9 Ų33.933%0.33216%0.159SC..THydrogen-bonded Turntrans57.4-91.8177.7-169.810.1000113.6R1330N1263-R1330 WeakPolarHBondContact CA-O 3.32Å; N1263-R1330 HydrophobicContact CB-CB 4.31Å; N1263-R1330 PolarHBondContact N-O 3Å; N1263-R1330 VanDerWaalsContact OD1-CD 3.28Å; N1263-R1330 WeakPolarHBondContact OD1-CD 3.19Å
1264R87.1Confident94.5Very high215 Ų21532.1 Ų32.181%0.81115%0.152SC*.THydrogen-bonded Turntrans-104.9-5.6177.7-64.3-175.3-178.9-179.80.4113.1D1262D1262-R1264 PolarHBondContact O-N 3.23Å
1265H91.2Very high94.4Very high126 Ų12631.9 Ų31.958%0.58315%0.151SC*.EExtended strand (participates in β ladder)trans-99.4133.5-178.7-60.5-67.7000110.3M1 D1262M1-H1265 HydrophobicContact CE-CB 4.44Å; D1262-H1265 PolarHBondContact N-O 3.08Å; D1262-H1265 PolarHBondContact O-N 2.88Å
1266L93.8Very high94.4Very high58 Ų5829.5 Ų29.530%0.30414%0.139SC..EExtended strand (participates in β ladder)trans-117.4136.5174.3-17269.6000108.3I1217 M1220 F1259 I1261 F1268I1217-L1266 HydrophobicContact CD1-CD1 4.33Å; M1220-L1266 HydrophobicContact CE-CD2 3.89Å; M1220-L1266 HydrophobicContact SD-CD2 3.89Å; F1259-L1266 HydrophobicContact CB-CD1 4.03Å; F1259-L1266 HydrophobicContact CD1-CD1 3.92Å; F1259-L1266 HydrophobicContact CD1-CD2 4.1Å; F1259-L1266 HydrophobicContact CD1-CG 4.16Å; F1259-L1266 HydrophobicContact CE1-CD2 4.38Å; F1259-L1266 HydrophobicContact CG-CD1 4.39Å; I1261-L1266 HydrophobicContact CG1-CD1 3.84Å; L1266-F1268 HydrophobicContact CD2-CE1 4.15Å; L1266-F1268 HydrophobicContact CG-CE1 4.24Å
1267S95.5Very high94.3Very high0 Ų029.2 Ų29.20%014%0.137CC..EExtended strand (participates in β ladder)trans-142.8171.5174-57.60000109.3M1 F1259 V1260 Y1280 M1281M1-S1267 WeakPolarHBondContact SD-CB 3.07Å; M1-S1267 PolarHBondContact SD-OG 3.36Å; F1259-S1267 CarbonylContact C-O 3.49Å; F1259-S1267 WeakPolarHBondContact CA-O 3.2Å; V1260-S1267 PolarHBondContact N-O 2.73Å; V1260-S1267 PolarHBondContact O-N 3.13Å; S1267-Y1280 CarbonylContact C-O 3.55Å; S1267-Y1280 WeakPolarHBondContact CA-O 3.21Å; S1267-Y1280 WeakPolarHBondContact CB-O 3.47Å; S1267-M1281 VanDerWaalsContact OG-CG 3.3Å; S1267-M1281 WeakPolarHBondContact OG-CG 3.25Å; S1267-M1281 PolarHBondContact OG-SD 3.5Å
1268F97Very high94.2Very high3 Ų329 Ų291%0.01314%0.136CC..EExtended strand (participates in β ladder)trans-123.3125.7-172.7-39.8-63.6000108.8M1220 L1222 L1232 F1259 L1266 V1279 Y1280 L1282 L1295M1220-F1268 HydrophobicContact CE-CE1 4.13Å; M1220-F1268 HydrophobicContact CE-CZ 4Å; L1222-F1268 HydrophobicContact CD1-CB 3.93Å; L1222-F1268 HydrophobicContact CD1-CD1 4.19Å; L1222-F1268 HydrophobicContact CD1-CG 4.01Å; L1222-F1268 HydrophobicContact CD2-CB 3.88Å; L1222-F1268 HydrophobicContact CD2-CD1 4.38Å; L1222-F1268 HydrophobicContact CD2-CG 4.48Å; L1232-F1268 HydrophobicContact CD1-CE1 3.91Å; L1232-F1268 HydrophobicContact CD1-CZ 3.92Å; L1232-F1268 HydrophobicContact CD2-CE1 4.41Å; L1232-F1268 HydrophobicContact CD2-CE2 3.91Å; L1232-F1268 HydrophobicContact CD2-CZ 3.58Å; L1232-F1268 HydrophobicContact CG-CZ 4.33Å; F1259-F1268 AromaticContact CD1-CD1 3.58Å; F1259-F1268 HydrophobicContact CD1-CD1 3.58Å; F1259-F1268 AromaticContact CD1-CE1 3.7Å; F1259-F1268 HydrophobicContact CD1-CE1 3.7Å; F1259-F1268 AromaticContact CE1-CD1 3.83Å; F1259-F1268 HydrophobicContact CE1-CD1 3.83Å; F1259-F1268 AromaticContact CE1-CE1 3.7Å; F1259-F1268 HydrophobicContact CE1-CE1 3.7Å; L1266-F1268 HydrophobicContact CD2-CE1 4.15Å; L1266-F1268 HydrophobicContact CG-CE1 4.24Å; F1268-V1279 CarbonylContact O-C 3.55Å; F1268-V1279 WeakPolarHBondContact O-CA 3.12Å; F1268-Y1280 PolarHBondContact N-O 3.14Å; F1268-Y1280 PolarHBondContact O-N 3.11Å; F1268-L1282 HydrophobicContact CE2-CB 4.19Å; F1268-L1282 HydrophobicContact CZ-CB 4.45Å; F1268-L1295 HydrophobicContact CD2-CD1 4.41Å; F1268-L1295 HydrophobicContact CD2-CD2 3.91Å; F1268-L1295 HydrophobicContact CE2-CD2 3.64Å
1269L97.4Very high94.2Very high1 Ų128.4 Ų28.41%0.00513%0.133CC..EExtended strand (participates in β ladder)trans-99.4135.7175.9-174.468.3000108.8I1257 D1258 V1260 L1277 F1278 V1279 F1310 L1334 I1336 F1346I1257-L1269 VanDerWaalsContact CA-O 3.29Å; I1257-L1269 WeakPolarHBondContact CA-O 3.38Å; D1258-L1269 PolarHBondContact N-O 2.93Å; D1258-L1269 VanDerWaalsContact N-O 3.1Å; D1258-L1269 PolarHBondContact O-N 2.89Å; V1260-L1269 HydrophobicContact CG2-CB 3.81Å; L1269-L1277 HydrophobicContact CD1-CB 4.23Å; L1269-L1277 HydrophobicContact CD1-CD2 4.37Å; L1269-F1278 CarbonylContact C-O 3.59Å; L1269-F1278 WeakPolarHBondContact CA-O 3.46Å; L1269-V1279 HydrophobicContact CD1-CG2 3.97Å; L1269-F1310 HydrophobicContact CD2-CD2 4.46Å; L1269-F1310 HydrophobicContact CD2-CE1 4.35Å; L1269-F1310 HydrophobicContact CD2-CE2 4Å; L1269-F1310 HydrophobicContact CD2-CZ 3.94Å; L1269-F1310 HydrophobicContact CG-CE2 4.08Å; L1269-F1310 HydrophobicContact CG-CZ 4.18Å; L1269-L1334 HydrophobicContact CB-CD1 4.45Å; L1269-L1334 HydrophobicContact CD2-CD1 3.82Å; L1269-I1336 HydrophobicContact CD2-CD1 4.46Å; L1269-F1346 HydrophobicContact CD1-CE1 4.36Å; L1269-F1346 HydrophobicContact CD1-CE2 4.27Å; L1269-F1346 HydrophobicContact CD1-CZ 4.11Å; L1269-F1346 HydrophobicContact CD2-CD1 4.29Å; L1269-F1346 HydrophobicContact CD2-CG 4.34Å
1270A97.3Very high94.2Very high0 Ų028.4 Ų28.40%013%0.133CC..EExtended strand (participates in β ladder)trans-133.3143.6171.400000110.3V1230 L1252 A1256 I1257 L1277 F1278 Y1280V1230-A1270 HydrophobicContact CG1-CB 4.29Å; V1230-A1270 HydrophobicContact CG2-CB 4.14Å; L1252-A1270 HydrophobicContact CD2-CB 4.46Å; A1256-A1270 CarbonylContact O-C 3.55Å; A1256-A1270 WeakPolarHBondContact O-CA 3.46Å; I1257-A1270 HydrophobicContact CG2-CB 4.01Å; A1270-L1277 CarbonylContact O-C 3.52Å; A1270-L1277 WeakPolarHBondContact O-CA 3.44Å; A1270-F1278 PolarHBondContact N-O 2.65Å; A1270-F1278 PolarHBondContact O-N 2.63Å; A1270-Y1280 HydrophobicContact CB-CE2 4.19Å
1271S96.8Very high94.1Very high0 Ų029.5 Ų29.50%014%0.138CC..EExtended strand (participates in β ladder)trans-111.4159.6168.659.10000112.3V1254 M1255 A1256 N1276 A1307V1254-S1271 WeakPolarHBondContact CA-O 3.24Å; M1255-S1271 WeakPolarHBondContact CB-OG 3.32Å; M1255-S1271 PolarHBondContact N-O 2.9Å; A1256-S1271 WeakPolarHBondContact CB-OG 3.16Å; A1256-S1271 PolarHBondContact N-OG 2.87Å; A1256-S1271 PolarHBondContact O-N 2.98Å; A1256-S1271 PolarHBondContact O-OG 2.83Å; S1271-N1276 VanDerWaalsContact CA-O 3.25Å; S1271-N1276 WeakPolarHBondContact CA-O 3.42Å; S1271-A1307 WeakPolarHBondContact CB-O 3.46Å; S1271-A1307 PolarHBondContact OG-O 3.49Å
1272D94.1Very high94.1Very high3 Ų331.2 Ų31.22%0.01615%0.147CC..EExtended strand (participates in β ladder)trans-124.4174.6177.676.91.3000114.8L1252 E1253 N1274 G1275 N1276 F1278L1252-D1272 HydrophobicContact CD1-CB 3.51Å; L1252-D1272 HydrophobicContact CD2-CB 4.4Å; L1252-D1272 HydrophobicContact CG-CB 3.89Å; E1253-D1272 WeakPolarHBondContact O-CA 3.03Å; D1272-N1274 PolarHBondContact O-N 2.79Å; D1272-N1274 WeakPolarHBondContact OD1-CA 3.23Å; D1272-N1274 PolarHBondContact OD1-N 3.19Å; D1272-G1275 PolarHBondContact O-N 2.83Å; D1272-G1275 PolarHBondContact OD1-N 2.77Å; D1272-N1276 PolarHBondContact N-O 2.83Å; D1272-N1276 WeakPolarHBondContact OD1-CB 3.37Å; D1272-N1276 PolarHBondContact OD1-N 3.23Å; D1272-N1276 PolarHBondContact OD1-ND2 3.09Å; D1272-N1276 PolarHBondContact OD2-ND2 3.46Å; D1272-F1278 HydrophobicContact CB-CE2 4.28Å
1273T92.1Very high94.1Very high41 Ų4133.2 Ų33.225%0.25216%0.156SC..THydrogen-bonded Turntrans-69.3-13.617756.10000113.9E1253 M1255 N1306E1253-T1273 HydrophobicContact CB-CG2 3.72Å; E1253-T1273 PolarHBondContact O-N 3.21Å; E1253-T1273 WeakPolarHBondContact OE2-CG2 2.99Å; E1253-T1273 PolarHBondContact OE2-OG1 3.07Å; M1255-T1273 HydrophobicContact CG-CG2 3.92Å; M1255-T1273 HydrophobicContact SD-CG2 3.83Å; T1273-N1306 VanDerWaalsContact C-ND2 3.29Å; T1273-N1306 PolarHBondContact O-ND2 2.87Å
1274N90.3Very high94.1Very high32 Ų3233.8 Ų33.817%0.17116%0.163CC..THydrogen-bonded Turntrans-93.8-0.4176.5-62.5-49.2000112.8D1272 H1302 R1383 R1385D1272-N1274 PolarHBondContact O-N 2.79Å; D1272-N1274 WeakPolarHBondContact OD1-CA 3.23Å; D1272-N1274 PolarHBondContact OD1-N 3.19Å; N1274-H1302 PolarHBondContact O-CE1 3.18Å; N1274-H1302 PolarHBondContact O-ND1 2.98Å; N1274-R1383 WeakPolarHBondContact CB-O 3.21Å; N1274-R1385 PolarHBondContact OD1-NE 3.37Å
1275G93.8Very high94.3Very high1 Ų132.9 Ų32.91%0.0117%0.168CC..SBendtrans82.928.2178.200000114.1D1272 H1302 V1303 T1305D1272-G1275 PolarHBondContact O-N 2.83Å; D1272-G1275 PolarHBondContact OD1-N 2.77Å; G1275-H1302 PolarHBondContact O-ND1 3.28Å; G1275-V1303 PolarHBondContact O-N 2.8Å; G1275-T1305 VanDerWaalsContact CA-O 3.26Å; G1275-T1305 WeakPolarHBondContact CA-O 3.24Å
1276N94.9Very high94.1Very high0 Ų028 Ų280%015%0.151CC..EExtended strand (participates in β ladder)trans-97.7156.6174.5-53.1-57.5000111.8S1271 D1272 F1278 M1301 H1302 V1382 R1383S1271-N1276 VanDerWaalsContact CA-O 3.25Å; S1271-N1276 WeakPolarHBondContact CA-O 3.42Å; D1272-N1276 PolarHBondContact N-O 2.83Å; D1272-N1276 WeakPolarHBondContact OD1-CB 3.37Å; D1272-N1276 PolarHBondContact OD1-N 3.23Å; D1272-N1276 PolarHBondContact OD1-ND2 3.09Å; D1272-N1276 PolarHBondContact OD2-ND2 3.46Å; N1276-F1278 HydrophobicContact CB-CD2 4.44Å; N1276-F1278 HydrophobicContact CB-CE1 4.49Å; N1276-F1278 HydrophobicContact CB-CE2 3.56Å; N1276-F1278 HydrophobicContact CB-CZ 3.61Å; N1276-M1301 CarbonylContact C-O 3.46Å; N1276-M1301 WeakPolarHBondContact CA-O 3.3Å; N1276-H1302 WeakPolarHBondContact OD1-CB 3.35Å; N1276-H1302 PolarHBondContact OD1-ND1 2.79Å; N1276-V1382 HydrophobicContact CB-CG1 4.46Å; N1276-R1383 PolarHBondContact ND2-O 2.74Å; N1276-R1383 PolarHBondContact OD1-N 3.31Å
1277L96.4Very high93.8Very high0 Ų035 Ų350%018%0.179CC..EExtended strand (participates in β ladder)trans-117.5138.3168.5-67178.5000110Y5 L1269 A1270 D1300 M1301 V1303 A1307 F1310 I1336 F1346Y5-L1277 HydrophobicContact CD2-CD1 3.99Å; Y5-L1277 HydrophobicContact CE2-CD1 4.36Å; L1269-L1277 HydrophobicContact CD1-CB 4.23Å; L1269-L1277 HydrophobicContact CD1-CD2 4.37Å; A1270-L1277 CarbonylContact O-C 3.52Å; A1270-L1277 WeakPolarHBondContact O-CA 3.44Å; L1277-D1300 VanDerWaalsContact O-CA 3.27Å; L1277-D1300 WeakPolarHBondContact O-CA 3.39Å; L1277-M1301 PolarHBondContact N-O 2.96Å; L1277-M1301 PolarHBondContact O-N 2.94Å; L1277-M1301 VanDerWaalsContact O-N 3.08Å; L1277-V1303 HydrophobicContact CD1-CG2 3.42Å; L1277-V1303 VanDerWaalsContact CD1-CG2 3.42Å; L1277-V1303 HydrophobicContact CG-CG2 3.57Å; L1277-A1307 HydrophobicContact CD2-CB 4.13Å; L1277-F1310 HydrophobicContact CD2-CE1 4.27Å; L1277-F1310 HydrophobicContact CD2-CZ 3.93Å; L1277-I1336 HydrophobicContact CD1-CD1 3.95Å; L1277-I1336 HydrophobicContact CD2-CD1 4.41Å; L1277-F1346 HydrophobicContact CD1-CD2 4.32Å
1278F95.7Very high93.4Very high1 Ų140.7 Ų40.70%0.00421%0.206CC..EExtended strand (participates in β ladder)trans-128.1130.9178-57.6-79000110.6L1252 L1269 A1270 D1272 N1276 Y1280 R1297 D1300 V1382L1252-F1278 HydrophobicContact CD1-CD2 4.19Å; L1252-F1278 HydrophobicContact CD1-CE2 3.55Å; L1252-F1278 HydrophobicContact CD1-CZ 4.11Å; L1252-F1278 HydrophobicContact CD2-CD2 3.61Å; L1252-F1278 HydrophobicContact CD2-CE2 3.87Å; L1252-F1278 HydrophobicContact CD2-CG 4.48Å; L1252-F1278 HydrophobicContact CG-CE2 4.34Å; L1269-F1278 CarbonylContact C-O 3.59Å; L1269-F1278 WeakPolarHBondContact CA-O 3.46Å; A1270-F1278 PolarHBondContact N-O 2.65Å; A1270-F1278 PolarHBondContact O-N 2.63Å; D1272-F1278 HydrophobicContact CB-CE2 4.28Å; N1276-F1278 HydrophobicContact CB-CD2 4.44Å; N1276-F1278 HydrophobicContact CB-CE1 4.49Å; N1276-F1278 HydrophobicContact CB-CE2 3.56Å; N1276-F1278 HydrophobicContact CB-CZ 3.61Å; F1278-Y1280 HydrophobicContact CB-CD2 4.3Å; F1278-Y1280 HydrophobicContact CB-CE2 3.54Å; F1278-Y1280 HydrophobicContact CG-CE2 4.49Å; F1278-R1297 VanDerWaalsContact CE1-NH1 3.35Å; F1278-D1300 HydrophobicContact CD1-CB 3.87Å; F1278-D1300 HydrophobicContact CE1-CB 4.15Å; F1278-V1382 HydrophobicContact CE1-CG1 3.91Å; F1278-V1382 HydrophobicContact CE1-CG2 4.43Å; F1278-V1382 HydrophobicContact CZ-CG1 3.94Å
1279V96.6Very high93.1Very high0 Ų040.6 Ų40.60%021%0.205CC..EExtended strand (participates in β ladder)trans-105.9120.1173.1-176.50000109.4F1268 L1269 R1298 A1299 F1346 I1396F1268-V1279 CarbonylContact O-C 3.55Å; F1268-V1279 WeakPolarHBondContact O-CA 3.12Å; L1269-V1279 HydrophobicContact CD1-CG2 3.97Å; V1279-R1298 PolarHBondContact O-N 3.41Å; V1279-A1299 HydrophobicContact CB-CB 3.76Å; V1279-A1299 HydrophobicContact CG2-CB 3.85Å; V1279-A1299 PolarHBondContact N-O 3.13Å; V1279-A1299 PolarHBondContact O-N 2.88Å; V1279-F1346 HydrophobicContact CG2-CE1 4.41Å; V1279-F1346 HydrophobicContact CG2-CE2 4.47Å; V1279-F1346 HydrophobicContact CG2-CZ 3.65Å; V1279-I1396 HydrophobicContact CG2-CD1 4.27Å
1280Y96.1Very high92.8Very high0 Ų044.8 Ų44.80%023%0.228CC..EExtended strand (participates in β ladder)trans-106.7149.1176.2-62.9-82000111.6V1230 D1248 S1267 F1268 A1270 F1278 L1295 V1296 R1297V1230-Y1280 HydrophobicContact CG2-CD2 3.67Å; V1230-Y1280 HydrophobicContact CG2-CE2 3.51Å; V1230-Y1280 HydrophobicContact CG2-CG 4.46Å; D1248-Y1280 HydrophobicContact CB-CE1 4.03Å; D1248-Y1280 PolarHBondContact OD2-OH 2.74Å; S1267-Y1280 CarbonylContact C-O 3.55Å; S1267-Y1280 WeakPolarHBondContact CA-O 3.21Å; S1267-Y1280 WeakPolarHBondContact CB-O 3.47Å; F1268-Y1280 PolarHBondContact N-O 3.14Å; F1268-Y1280 PolarHBondContact O-N 3.11Å; A1270-Y1280 HydrophobicContact CB-CE2 4.19Å; F1278-Y1280 HydrophobicContact CB-CD2 4.3Å; F1278-Y1280 HydrophobicContact CB-CE2 3.54Å; F1278-Y1280 HydrophobicContact CG-CE2 4.49Å; Y1280-L1295 HydrophobicContact CD1-CB 4.11Å; Y1280-L1295 HydrophobicContact CG-CB 4.43Å; Y1280-V1296 CarbonylContact C-O 3.58Å; Y1280-V1296 WeakPolarHBondContact CA-O 3.32Å; Y1280-R1297 HydrophobicContact CD1-CB 3.98Å; Y1280-R1297 HydrophobicContact CE1-CB 3.75Å; Y1280-R1297 HydrophobicContact CE1-CG 4.13Å; Y1280-R1297 PolarHBondContact OH-NE 2.85Å; Y1280-R1297 PolarHBondContact OH-NH2 2.99Å; Y1280-R1297 VanDerWaalsContact OH-NH2 3.11Å
1281M94.5Very high92.5Very high23 Ų2347.8 Ų47.811%0.11326%0.259CS..EExtended strand (participates in β ladder)trans-131.3145.1173.3-60.4-157.4-64.500110.9M1 S1267 Q1283 V1296 R1298M1-M1281 HydrophobicContact CB-SD 3.76Å; M1-M1281 PolarHBondContact N-SD 2.87Å; M1-M1281 VanDerWaalsContact N-SD 3.41Å; S1267-M1281 VanDerWaalsContact OG-CG 3.3Å; S1267-M1281 WeakPolarHBondContact OG-CG 3.25Å; S1267-M1281 PolarHBondContact OG-SD 3.5Å; M1281-Q1283 HydrophobicContact CB-CG 4.22Å; M1281-V1296 PolarHBondContact N-O 2.93Å; M1281-V1296 PolarHBondContact O-N 2.73Å; M1281-R1298 HydrophobicContact CB-CG 4.14Å; M1281-R1298 HydrophobicContact CE-CB 3.95Å; M1281-R1298 VanDerWaalsContact CE-CD 3.45Å; M1281-R1298 HydrophobicContact CE-CG 3.33Å; M1281-R1298 HydrophobicContact CG-CB 4.13Å; M1281-R1298 HydrophobicContact CG-CG 3.87Å; M1281-R1298 HydrophobicContact SD-CG 4.31Å
1282L94Very high92.1Very high70 Ų7048.1 Ų48.137%0.36626%0.262SS..  trans-85.3113.4167.7179.964000109.2L1232 F1268 L1295L1232-L1282 HydrophobicContact CD2-CB 4.42Å; L1232-L1282 HydrophobicContact CD2-CD2 4.02Å; F1268-L1282 HydrophobicContact CE2-CB 4.19Å; F1268-L1282 HydrophobicContact CZ-CB 4.45Å; L1282-L1295 HydrophobicContact CB-CD2 4.45Å
1283Q91.7Very high92.1Very high62 Ų6253.8 Ų53.829%0.2929%0.289SS..  trans-138.177.7-178.6-72.7-175.8-49.400111.2M1281 E1285 G1286 S1289 V1296M1281-Q1283 HydrophobicContact CB-CG 4.22Å; Q1283-E1285 PolarHBondContact O-N 3.05Å; Q1283-E1285 VanDerWaalsContact O-N 3.16Å; Q1283-G1286 PolarHBondContact O-N 3.31Å; Q1283-S1289 WeakPolarHBondContact O-CB 3.31Å; Q1283-S1289 PolarHBondContact O-OG 2.8Å; Q1283-V1296 HydrophobicContact CB-CG2 4.46Å
1284P89.7Confident92.2Very high74 Ų7454 Ų5448%0.48129%0.287SS..THydrogen-bonded Turntrans-62.5-26-171.925.4-35.1000114.3G1286 S1289 G1291P1284-G1286 VanDerWaalsContact C-N 3.3Å; P1284-S1289 PolarHBondContact O-OG 3.45Å; P1284-G1291 CarbonylContact O-C 3.54Å
1285E90.6Very high92.4Very high196 Ų19652.8 Ų52.892%0.91628%0.28SS*.THydrogen-bonded Turntrans-75.6-18.8175.9-61175.3-18000112.7Q1283Q1283-E1285 PolarHBondContact O-N 3.05Å; Q1283-E1285 VanDerWaalsContact O-N 3.16Å
1286G87.8Confident92.3Very high23 Ų2353 Ų5324%0.23728%0.282CS..SBendtrans-76.9131.6-179.400000111.5Q1283 P1284 E1288 S1289Q1283-G1286 PolarHBondContact O-N 3.31Å; P1284-G1286 VanDerWaalsContact C-N 3.3Å; G1286-E1288 PolarHBondContact O-N 3.35Å; G1286-S1289 WeakPolarHBondContact O-CB 3.33Å; G1286-S1289 PolarHBondContact O-N 2.62Å; G1286-S1289 PolarHBondContact O-OG 2.88Å
1287K88.5Confident92.2Very high205 Ų20554.1 Ų54.189%0.89129%0.286SS*.G310 helixtrans-55.5-38.5177.5-67.5-177.2178.6179.70112.9S1289 N1290K1287-S1289 PolarHBondContact O-N 3.31Å; K1287-N1290 PolarHBondContact O-N 2.96Å; K1287-N1290 VanDerWaalsContact O-N 3.09Å
1288E86.2Confident92Very high120 Ų12056.9 Ų56.956%0.56130%0.296SS*.G310 helixtrans-60.1-26.1177.5-64167.6169.100112.9G1286 N1290 V1296 R1298G1286-E1288 PolarHBondContact O-N 3.35Å; E1288-N1290 VanDerWaalsContact C-N 3.29Å; E1288-N1290 PolarHBondContact O-N 2.86Å; E1288-V1296 HydrophobicContact CB-CG1 4.3Å; E1288-V1296 HydrophobicContact CB-CG2 4.24Å; E1288-V1296 WeakPolarHBondContact OE2-CG1 3.37Å; E1288-R1298 IonicContact OE2-CZ 3.85Å; E1288-R1298 IonicContact OE2-NH1 2.84Å; E1288-R1298 PolarHBondContact OE2-NH1 2.92Å; E1288-R1298 IonicContact OE2-NH2 3.05Å
1289S91Very high92Very high0 Ų056.9 Ų56.90%030%0.296CS..G310 helixtrans-80.1-8.317977.80000113.7Q1283 P1284 G1286 K1287 G1291 G1292 Q1293 H1294Q1283-S1289 WeakPolarHBondContact O-CB 3.31Å; Q1283-S1289 PolarHBondContact O-OG 2.8Å; P1284-S1289 PolarHBondContact O-OG 3.45Å; G1286-S1289 WeakPolarHBondContact O-CB 3.33Å; G1286-S1289 PolarHBondContact O-N 2.62Å; G1286-S1289 PolarHBondContact O-OG 2.88Å; K1287-S1289 PolarHBondContact O-N 3.31Å; S1289-G1291 PolarHBondContact O-N 2.89Å; S1289-G1291 PolarHBondContact OG-N 3.15Å; S1289-G1292 CarbonylContact O-C 3.55Å; S1289-G1292 PolarHBondContact O-N 3.12Å; S1289-G1292 VanDerWaalsContact O-N 3.12Å; S1289-G1292 PolarHBondContact OG-N 3.22Å; S1289-Q1293 PolarHBondContact O-N 2.9Å; S1289-H1294 WeakPolarHBondContact CA-O 3.33Å; S1289-H1294 WeakPolarHBondContact CB-O 3.49Å; S1289-H1294 PolarHBondContact O-N 2.79Å
1290N91.5Very high91.8Very high90 Ų9057.3 Ų57.348%0.48130%0.299SS..THydrogen-bonded Turntrans49.753.4-171.7-168.929000112.7K1287 E1288 G1292 Q1293 H1294K1287-N1290 PolarHBondContact O-N 2.96Å; K1287-N1290 VanDerWaalsContact O-N 3.09Å; E1288-N1290 VanDerWaalsContact C-N 3.29Å; E1288-N1290 PolarHBondContact O-N 2.86Å; N1290-G1292 VanDerWaalsContact C-N 3.33Å; N1290-G1292 PolarHBondContact O-N 2.78Å; N1290-Q1293 PolarHBondContact ND2-OE1 3.27Å; N1290-H1294 WeakPolarHBondContact CB-CD2 3.29Å; N1290-H1294 WeakPolarHBondContact CB-NE2 3.4Å; N1290-H1294 PolarHBondContact ND2-NE2 3.47Å
1291G90.1Very high91.8Very high62 Ų6257.6 Ų57.664%0.63930%0.3SS*.THydrogen-bonded Turntrans72.224-177.800000114.3P1284 S1289P1284-G1291 CarbonylContact O-C 3.54Å; S1289-G1291 PolarHBondContact O-N 2.89Å; S1289-G1291 PolarHBondContact OG-N 3.15Å
1292G89.6Confident91.8Very high8 Ų856.8 Ų56.88%0.08230%0.296CS..THydrogen-bonded Turntrans91.23.2179.400000115.4S1246 S1289 N1290 H1294S1246-G1292 WeakPolarHBondContact CB-O 3.47Å; S1246-G1292 PolarHBondContact OG-O 2.98Å; S1289-G1292 CarbonylContact O-C 3.55Å; S1289-G1292 PolarHBondContact O-N 3.12Å; S1289-G1292 VanDerWaalsContact O-N 3.12Å; S1289-G1292 PolarHBondContact OG-N 3.22Å; N1290-G1292 VanDerWaalsContact C-N 3.33Å; N1290-G1292 PolarHBondContact O-N 2.78Å; G1292-H1294 VanDerWaalsContact C-N 3.35Å
1293Q92.5Very high91.7Very high121 Ų12153.7 Ų53.757%0.56528%0.28SS*.THydrogen-bonded Turntrans-71.1-32.1175.5-64.5-173.8-2.100112.4S1246 R1247 S1289 N1290S1246-Q1293 WeakPolarHBondContact CA-O 3.08Å; S1246-Q1293 PolarHBondContact OG-O 3.37Å; R1247-Q1293 PolarHBondContact N-O 3.18Å; R1247-Q1293 VanDerWaalsContact N-O 3.08Å; S1289-Q1293 PolarHBondContact O-N 2.9Å; N1290-Q1293 PolarHBondContact ND2-OE1 3.27Å
1294H94Very high91.7Very high45 Ų4551.1 Ų51.121%0.20827%0.27CS..BIsolated β-bridgetrans-105.1132.6-178.4-51.6-40.3000111.6S1246 R1247 H1249 S1289 N1290 G1292 V1296S1246-H1294 PolarHBondContact OG-O 2.88Å; R1247-H1294 CarbonylContact O-C 3.52Å; R1247-H1294 VanDerWaalsContact O-CA 3.28Å; R1247-H1294 WeakPolarHBondContact O-CA 3.33Å; H1249-H1294 AromaticContact CD2-CE1 3.45Å; H1249-H1294 PolarHBondContact CD2-CE1 2.98Å; H1249-H1294 VanDerWaalsContact CD2-CE1 3.45Å; H1249-H1294 AromaticContact CD2-ND1 2.96Å; H1249-H1294 PolarHBondContact CD2-ND1 2.84Å; H1249-H1294 AromaticContact CE1-CE1 3.5Å; H1249-H1294 AromaticContact CE1-ND1 3.8Å; H1249-H1294 AromaticContact CG-CE1 3.93Å; H1249-H1294 AromaticContact CG-ND1 3.77Å; H1249-H1294 AromaticContact ND1-CE1 3.98Å; H1249-H1294 AromaticContact NE2-CE1 3.15Å; H1249-H1294 PolarHBondContact NE2-CE1 2.97Å; H1249-H1294 AromaticContact NE2-ND1 3.01Å; H1249-H1294 PolarHBondContact NE2-ND1 3.39Å; S1289-H1294 WeakPolarHBondContact CA-O 3.33Å; S1289-H1294 WeakPolarHBondContact CB-O 3.49Å; S1289-H1294 PolarHBondContact O-N 2.79Å; N1290-H1294 WeakPolarHBondContact CB-CD2 3.29Å; N1290-H1294 WeakPolarHBondContact CB-NE2 3.4Å; N1290-H1294 PolarHBondContact ND2-NE2 3.47Å; G1292-H1294 VanDerWaalsContact C-N 3.35Å; H1294-V1296 PolarHBondContact O-N 2.86Å
1295L95Very high91.8Very high7 Ų748.1 Ų48.14%0.03725%0.25CS..PPolyproline II helixtrans-69.7128.6167.3-74.3178.6000108.3L1232 S1246 R1247 F1268 Y1280 L1282L1232-L1295 HydrophobicContact CB-CD1 4.41Å; L1232-L1295 HydrophobicContact CB-CD2 4.38Å; L1232-L1295 HydrophobicContact CD2-CD2 4.36Å; S1246-L1295 WeakPolarHBondContact OG-CD2 3.31Å; S1246-L1295 WeakPolarHBondContact OG-CG 3.36Å; S1246-L1295 PolarHBondContact OG-N 3.24Å; R1247-L1295 PolarHBondContact O-N 3.2Å; F1268-L1295 HydrophobicContact CD2-CD1 4.41Å; F1268-L1295 HydrophobicContact CD2-CD2 3.91Å; F1268-L1295 HydrophobicContact CE2-CD2 3.64Å; Y1280-L1295 HydrophobicContact CD1-CB 4.11Å; Y1280-L1295 HydrophobicContact CG-CB 4.43Å; L1282-L1295 HydrophobicContact CB-CD2 4.45Å
1296V92.7Very high92Very high7 Ų741.6 Ų41.64%0.04222%0.222CC..EExtended strand (participates in β ladder)trans-89.6116.4-178.1-175.80000108.6Y1280 M1281 Q1283 E1288 H1294 R1298Y1280-V1296 CarbonylContact C-O 3.58Å; Y1280-V1296 WeakPolarHBondContact CA-O 3.32Å; M1281-V1296 PolarHBondContact N-O 2.93Å; M1281-V1296 PolarHBondContact O-N 2.73Å; Q1283-V1296 HydrophobicContact CB-CG2 4.46Å; E1288-V1296 HydrophobicContact CB-CG1 4.3Å; E1288-V1296 HydrophobicContact CB-CG2 4.24Å; E1288-V1296 WeakPolarHBondContact OE2-CG1 3.37Å; H1294-V1296 PolarHBondContact O-N 2.86Å; V1296-R1298 HydrophobicContact CG1-CG 4.12Å; V1296-R1298 PolarHBondContact O-N 2.93Å
1297R92.4Very high92.4Very high23 Ų2340.6 Ų40.69%0.08721%0.211CC..EExtended strand (participates in β ladder)trans-67.1126.3169.7-171.1-178.5-65.9178.75.5109.2F1278 Y1280 Y1390 Q1393F1278-R1297 VanDerWaalsContact CE1-NH1 3.35Å; Y1280-R1297 HydrophobicContact CD1-CB 3.98Å; Y1280-R1297 HydrophobicContact CE1-CB 3.75Å; Y1280-R1297 HydrophobicContact CE1-CG 4.13Å; Y1280-R1297 PolarHBondContact OH-NE 2.85Å; Y1280-R1297 PolarHBondContact OH-NH2 2.99Å; Y1280-R1297 VanDerWaalsContact OH-NH2 3.11Å; R1297-Y1390 PolarHBondContact NH1-OH 3.38Å; R1297-Q1393 HydrophobicContact CB-CG 4.38Å; R1297-Q1393 HydrophobicContact CG-CG 4.09Å
1298R92.4Very high92.7Very high58 Ų5832.9 Ų32.922%0.21918%0.179CC..EExtended strand (participates in β ladder)trans-124-21-171.4-77-78.5-171.7-137.2-2.6113.6V1279 M1281 E1288 V1296 N1395V1279-R1298 PolarHBondContact O-N 3.41Å; M1281-R1298 HydrophobicContact CB-CG 4.14Å; M1281-R1298 HydrophobicContact CE-CB 3.95Å; M1281-R1298 VanDerWaalsContact CE-CD 3.45Å; M1281-R1298 HydrophobicContact CE-CG 3.33Å; M1281-R1298 HydrophobicContact CG-CB 4.13Å; M1281-R1298 HydrophobicContact CG-CG 3.87Å; M1281-R1298 HydrophobicContact SD-CG 4.31Å; E1288-R1298 IonicContact OE2-CZ 3.85Å; E1288-R1298 IonicContact OE2-NH1 2.84Å; E1288-R1298 PolarHBondContact OE2-NH1 2.92Å; E1288-R1298 IonicContact OE2-NH2 3.05Å; V1296-R1298 HydrophobicContact CG1-CG 4.12Å; V1296-R1298 PolarHBondContact O-N 2.93Å; R1298-N1395 PolarHBondContact O-ND2 3.43Å
1299A94.4Very high93.2Very high0 Ų027.6 Ų27.60%016%0.156CC..EExtended strand (participates in β ladder)trans-149.8149.9173.600000111V1279 K1394 N1395 I1396V1279-A1299 HydrophobicContact CB-CB 3.76Å; V1279-A1299 HydrophobicContact CG2-CB 3.85Å; V1279-A1299 PolarHBondContact N-O 3.13Å; V1279-A1299 PolarHBondContact O-N 2.88Å; A1299-K1394 CarbonylContact C-O 3.56Å; A1299-K1394 WeakPolarHBondContact CA-O 3.48Å; A1299-K1394 WeakPolarHBondContact CB-O 3.5Å; A1299-N1395 HydrophobicContact CB-CB 3.73Å; A1299-I1396 HydrophobicContact CB-CD1 4.11Å; A1299-I1396 HydrophobicContact CB-CG1 3.69Å
1300D94.1Very high93.5Very high10 Ų1028.8 Ų28.85%0.05316%0.161CC..EExtended strand (participates in β ladder)trans-151.2149.4177.256.822.3000112.5L1277 F1278 V1382 A1392 Q1393 K1394L1277-D1300 VanDerWaalsContact O-CA 3.27Å; L1277-D1300 WeakPolarHBondContact O-CA 3.39Å; F1278-D1300 HydrophobicContact CD1-CB 3.87Å; F1278-D1300 HydrophobicContact CE1-CB 4.15Å; D1300-V1382 HydrophobicContact CB-CG2 3.44Å; D1300-V1382 VanDerWaalsContact CB-CG2 3.44Å; D1300-V1382 VanDerWaalsContact CG-CG2 3.44Å; D1300-A1392 WeakPolarHBondContact OD2-CA 3.49Å; D1300-Q1393 VanDerWaalsContact CG-N 3.33Å; D1300-Q1393 PolarHBondContact OD1-N 3.46Å; D1300-Q1393 VanDerWaalsContact OD1-N 3.09Å; D1300-Q1393 PolarHBondContact OD2-N 2.7Å; D1300-K1394 PolarHBondContact N-O 3.4Å; D1300-K1394 PolarHBondContact OD1-N 3.2Å
1301M94.8Very high93.7Very high5 Ų525.5 Ų25.53%0.02514%0.144CC..EExtended strand (participates in β ladder)trans-162.5139.2-179.4-178.3171.1179.600111.2Y5 N1276 L1277 R1380 I1396 N1398Y5-M1301 HydrophobicContact CD1-CE 3.59Å; Y5-M1301 HydrophobicContact CD1-SD 4.19Å; Y5-M1301 HydrophobicContact CE1-CE 4.41Å; Y5-M1301 HydrophobicContact CG-CE 4.16Å; Y5-M1301 HydrophobicContact CG-SD 4.15Å; N1276-M1301 CarbonylContact C-O 3.46Å; N1276-M1301 WeakPolarHBondContact CA-O 3.3Å; L1277-M1301 PolarHBondContact N-O 2.96Å; L1277-M1301 PolarHBondContact O-N 2.94Å; L1277-M1301 VanDerWaalsContact O-N 3.08Å; M1301-R1380 HydrophobicContact CE-CB 4.11Å; M1301-R1380 HydrophobicContact CE-CG 3.71Å; M1301-R1380 HydrophobicContact CG-CB 4.25Å; M1301-I1396 HydrophobicContact CB-CB 4.02Å; M1301-I1396 HydrophobicContact CB-CD1 3.71Å; M1301-I1396 HydrophobicContact CB-CG1 4.4Å; M1301-I1396 HydrophobicContact CB-CG2 4.28Å; M1301-I1396 HydrophobicContact SD-CB 3.9Å; M1301-I1396 HydrophobicContact SD-CG2 3.38Å; M1301-I1396 WeakPolarHBondContact SD-CG2 3.03Å; M1301-N1398 HydrophobicContact CE-CB 4.07Å
1302H94.9Very high93.9Very high6 Ų625.4 Ų25.43%0.02812%0.124CC..EExtended strand (participates in β ladder)trans-85.4130.2166-176.865.7000110.6N1274 G1275 N1276 G1304 C1379 R1380 L1381N1274-H1302 PolarHBondContact O-CE1 3.18Å; N1274-H1302 PolarHBondContact O-ND1 2.98Å; G1275-H1302 PolarHBondContact O-ND1 3.28Å; N1276-H1302 WeakPolarHBondContact OD1-CB 3.35Å; N1276-H1302 PolarHBondContact OD1-ND1 2.79Å; H1302-G1304 WeakPolarHBondContact NE2-CA 3.45Å; H1302-G1304 PolarHBondContact NE2-N 3.02Å; H1302-C1379 PolarHBondContact CD2-O 2.8Å; H1302-R1380 PolarHBondContact N-O 2.92Å; H1302-R1380 WeakPolarHBondContact O-CD 3.29Å; H1302-L1381 WeakPolarHBondContact CB-O 3.29Å
1303V92.7Very high94Very high5 Ų526.3 Ų26.33%0.0313%0.127CC..  trans-89.3-30.1-174.1164.20000112.3Y5 G1275 L1277 T1305 R1380Y5-V1303 HydrophobicContact CD2-CG2 4.17Å; Y5-V1303 HydrophobicContact CE1-CG1 4.4Å; Y5-V1303 HydrophobicContact CE2-CB 4.45Å; Y5-V1303 HydrophobicContact CE2-CG1 3.94Å; Y5-V1303 HydrophobicContact CE2-CG2 3.73Å; Y5-V1303 WeakPolarHBondContact OH-CG1 3.24Å; G1275-V1303 PolarHBondContact O-N 2.8Å; L1277-V1303 HydrophobicContact CD1-CG2 3.42Å; L1277-V1303 VanDerWaalsContact CD1-CG2 3.42Å; L1277-V1303 HydrophobicContact CG-CG2 3.57Å; V1303-T1305 HydrophobicContact CG1-CG2 3.83Å; V1303-R1380 PolarHBondContact O-NH1 2.86Å
1304G90Very high93.9Very high8 Ų825.9 Ų25.98%0.08212%0.12CC..SBendtrans99.4-14.5-173.500000113.6N78 H1302N78-G1304 PolarHBondContact ND2-O 2.99Å; N78-G1304 PolarHBondContact OD1-O 2.77Å; H1302-G1304 WeakPolarHBondContact NE2-CA 3.45Å; H1302-G1304 PolarHBondContact NE2-N 3.02Å
1305T93.2Very high93.6Very high12 Ų1223.7 Ų23.77%0.07411%0.11CC..SBendtrans-138.9162.7176-1730000110G1275 V1303 A1307 G1339 D1340G1275-T1305 VanDerWaalsContact CA-O 3.26Å; G1275-T1305 WeakPolarHBondContact CA-O 3.24Å; V1303-T1305 HydrophobicContact CG1-CG2 3.83Å; T1305-A1307 PolarHBondContact O-N 2.78Å; T1305-G1339 PolarHBondContact OG1-N 3.31Å; T1305-D1340 WeakPolarHBondContact CB-OD1 3.39Å; T1305-D1340 WeakPolarHBondContact CG2-OD1 3.43Å; T1305-D1340 PolarHBondContact OG1-OD1 3.04Å
1306N94.1Very high93.2Very high59 Ų5924.4 Ų24.432%0.31611%0.113SC..  trans-71120.4172.5-69.589000109.6T1273 I1308 G1338 G1339T1273-N1306 VanDerWaalsContact C-ND2 3.29Å; T1273-N1306 PolarHBondContact O-ND2 2.87Å; N1306-I1308 HydrophobicContact CB-CG1 4.34Å; N1306-I1308 PolarHBondContact O-N 2.94Å; N1306-G1338 WeakPolarHBondContact O-CA 3.49Å; N1306-G1339 PolarHBondContact O-N 2.82Å
1307A96.1Very high93Very high2 Ų224.2 Ų24.22%0.01711%0.112CC..EExtended strand (participates in β ladder)trans-84.998.6173.200000109.4S1271 L1277 T1305 F1310 I1336S1271-A1307 WeakPolarHBondContact CB-O 3.46Å; S1271-A1307 PolarHBondContact OG-O 3.49Å; L1277-A1307 HydrophobicContact CD2-CB 4.13Å; T1305-A1307 PolarHBondContact O-N 2.78Å; A1307-F1310 HydrophobicContact CB-CE1 4.04Å; A1307-I1336 HydrophobicContact CB-CG2 3.5Å
1308I95.7Very high92.4Very high43 Ų4325 Ų2522%0.22112%0.121CC..EExtended strand (participates in β ladder)trans-87.2-37.1-166.6-61.2174.9000112.1M1255 N1306 G1337 G1339M1255-I1308 HydrophobicContact CE-CG1 4.21Å; M1255-I1308 HydrophobicContact CE-CG2 4.35Å; N1306-I1308 HydrophobicContact CB-CG1 4.34Å; N1306-I1308 PolarHBondContact O-N 2.94Å; I1308-G1337 PolarHBondContact N-O 2.75Å; I1308-G1339 VanDerWaalsContact CD1-CA 3.44Å
1309C96.8Very high91.7Very high9 Ų923.2 Ų23.26%0.06112%0.115CC..EExtended strand (participates in β ladder)trans-145.5150.4-174.956.60000111.2I469 I1336 G1337I469-C1309 HydrophobicContact CG2-CB 3.82Å; I469-C1309 WeakPolarHBondContact CG2-SG 3.06Å; C1309-I1336 WeakPolarHBondContact O-CA 3.43Å; C1309-G1337 PolarHBondContact O-N 3.31Å
1310F97.1Very high91Very high25 Ų2523.4 Ų23.411%0.1112%0.116CC..EExtended strand (participates in β ladder)trans-125.1142179.3-59.3-31.9000110.1A1256 D1258 L1269 L1277 A1307 Y1335 I1336A1256-F1310 VanDerWaalsContact C-CE2 3.44Å; A1256-F1310 HydrophobicContact CB-CD1 4.21Å; A1256-F1310 HydrophobicContact CB-CD2 3.66Å; A1256-F1310 HydrophobicContact CB-CE1 4.12Å; A1256-F1310 HydrophobicContact CB-CE2 3.56Å; A1256-F1310 HydrophobicContact CB-CG 4Å; A1256-F1310 HydrophobicContact CB-CZ 3.8Å; A1256-F1310 WeakPolarHBondContact O-CE2 3.47Å; D1258-F1310 HydrophobicContact CB-CB 4.17Å; D1258-F1310 HydrophobicContact CB-CD2 4Å; L1269-F1310 HydrophobicContact CD2-CD2 4.46Å; L1269-F1310 HydrophobicContact CD2-CE1 4.35Å; L1269-F1310 HydrophobicContact CD2-CE2 4Å; L1269-F1310 HydrophobicContact CD2-CZ 3.94Å; L1269-F1310 HydrophobicContact CG-CE2 4.08Å; L1269-F1310 HydrophobicContact CG-CZ 4.18Å; L1277-F1310 HydrophobicContact CD2-CE1 4.27Å; L1277-F1310 HydrophobicContact CD2-CZ 3.93Å; A1307-F1310 HydrophobicContact CB-CE1 4.04Å; F1310-Y1335 WeakPolarHBondContact CA-O 3.32Å; F1310-I1336 HydrophobicContact CD1-CB 4.08Å; F1310-I1336 HydrophobicContact CD1-CD1 4.27Å; F1310-I1336 HydrophobicContact CD1-CG1 3.64Å; F1310-I1336 HydrophobicContact CD1-CG2 3.88Å; F1310-I1336 HydrophobicContact CE1-CB 4.21Å; F1310-I1336 HydrophobicContact CE1-CD1 3.88Å; F1310-I1336 HydrophobicContact CE1-CG1 3.75Å; F1310-I1336 HydrophobicContact CE1-CG2 3.66Å
1311V95Very high90.3Very high21 Ų2123.4 Ų23.413%0.12712%0.117CC..EExtended strand (participates in β ladder)trans-132.2144.4162.870.70000110.3I469 I471 L1334 Y1335I469-V1311 HydrophobicContact CD1-CG1 3.72Å; I469-V1311 HydrophobicContact CG1-CB 4.37Å; I469-V1311 HydrophobicContact CG1-CG1 3.78Å; I469-V1311 HydrophobicContact CG2-CB 4.01Å; I469-V1311 HydrophobicContact CG2-CG1 4.17Å; I471-V1311 HydrophobicContact CD1-CB 4.44Å; I471-V1311 HydrophobicContact CD1-CG1 4.08Å; I471-V1311 HydrophobicContact CD1-CG2 3.54Å; I471-V1311 HydrophobicContact CG1-CG1 4.07Å; I471-V1311 HydrophobicContact CG1-CG2 3.67Å; V1311-L1334 CarbonylContact O-C 3.58Å; V1311-L1334 WeakPolarHBondContact O-CA 3.2Å; V1311-Y1335 PolarHBondContact N-O 3.15Å; V1311-Y1335 PolarHBondContact O-N 2.66Å
1312R93.9Very high89.6Confident60 Ų6031.2 Ų31.223%0.22615%0.151CC..EExtended strand (participates in β ladder)trans-116.2131.1-173.7-173168.750.4148.20.7111.7D1258 F1259 H1332 C1333 L1334D1258-R1312 IonicContact OD1-CZ 2.89Å; D1258-R1312 IonicContact OD1-NE 3.37Å; D1258-R1312 PolarHBondContact OD1-NE 2.93Å; D1258-R1312 IonicContact OD1-NH2 2.81Å; D1258-R1312 WeakPolarHBondContact OD2-CB 2.84Å; D1258-R1312 IonicContact OD2-NE 3.73Å; F1259-R1312 WeakPolarHBondContact O-CD 3.38Å; R1312-H1332 HydrophobicContact CG-CB 3.91Å; R1312-C1333 WeakPolarHBondContact CA-O 3.09Å; R1312-L1334 HydrophobicContact CB-CD2 3.56Å; R1312-L1334 HydrophobicContact CG-CD2 3.85Å; R1312-L1334 HydrophobicContact CG-CG 4.37Å
1313L91.4Very high89Confident26 Ų2637.8 Ų37.814%0.13618%0.182CC..EExtended strand (participates in β ladder)trans-130.6143.1178.2-167.257.6000110.1I471 V489 H1332 C1333 Y1335 H1440I471-L1313 HydrophobicContact CD1-CB 3.87Å; I471-L1313 HydrophobicContact CD1-CD1 3.92Å; I471-L1313 HydrophobicContact CD1-CD2 4.15Å; I471-L1313 HydrophobicContact CD1-CG 4.2Å; V489-L1313 HydrophobicContact CG2-CD2 3.82Å; L1313-H1332 CarbonylContact O-C 3.55Å; L1313-H1332 WeakPolarHBondContact O-CA 3.5Å; L1313-H1332 WeakPolarHBondContact O-CB 3.48Å; L1313-C1333 PolarHBondContact N-O 2.79Å; L1313-C1333 PolarHBondContact O-N 3.44Å; L1313-C1333 VanDerWaalsContact O-O 3.1Å; L1313-Y1335 HydrophobicContact CB-CE2 4.32Å; L1313-Y1335 HydrophobicContact CD2-CE2 4.47Å; L1313-H1440 HydrophobicContact CD2-CB 3.49Å; L1313-H1440 VanDerWaalsContact CD2-CB 3.49Å
1314R90.4Very high88.5Confident112 Ų11240 Ų4042%0.42319%0.191SC..EExtended strand (participates in β ladder)trans-61137.2169.1167.6179.2162.3-166.5-9.5108.7A1329 H1440R1314-A1329 VanDerWaalsContact CD-O 3.31Å; R1314-A1329 WeakPolarHBondContact CD-O 3.49Å; R1314-A1329 WeakPolarHBondContact CG-O 3.45Å; R1314-A1329 PolarHBondContact NE-O 3.07Å; R1314-A1329 VanDerWaalsContact NH2-CB 3.27Å; R1314-H1440 PolarHBondContact O-CE1 3.49Å; R1314-H1440 PolarHBondContact O-NE2 3.01Å
1315S89.2Confident88.3Confident0 Ų042.8 Ų42.80%020%0.199CC..PPolyproline II helixtrans-62148.5-177.5-62.30000114.9R1331 H1440S1315-R1331 WeakPolarHBondContact CB-O 3.37Å; S1315-R1331 PolarHBondContact N-O 3.28Å; S1315-R1331 PolarHBondContact OG-O 3.13Å; S1315-H1440 VanDerWaalsContact C-NE2 3.26Å; S1315-H1440 VanDerWaalsContact CA-NE2 3.28Å; S1315-H1440 WeakPolarHBondContact CA-NE2 3.46Å
1316H86.6Confident87.8Confident22 Ų2245.9 Ų45.910%0.10223%0.226CC..PPolyproline II helixtrans-78.8128.7-175.6-174.6-114.7000110D486 E1319 R1436 L1437 T1439 H1440D486-H1316 VanDerWaalsContact CB-CD2 3.49Å; D486-H1316 WeakPolarHBondContact CB-CD2 3.35Å; D486-H1316 IonicContact OD2-CD2 3.93Å; D486-H1316 PolarHBondContact OD2-CD2 2.69Å; D486-H1316 IonicContact OD2-CG 3.22Å; D486-H1316 IonicContact OD2-NE2 3.46Å; H1316-E1319 IonicContact CE1-OE1 3.81Å; H1316-E1319 PolarHBondContact CE1-OE1 3.02Å; H1316-E1319 IonicContact ND1-OE1 3.3Å; H1316-E1319 PolarHBondContact ND1-OE1 2.83Å; H1316-R1436 WeakPolarHBondContact CB-O 3.39Å; H1316-R1436 PolarHBondContact ND1-O 3.12Å; H1316-L1437 PolarHBondContact N-O 3.34Å; H1316-T1439 PolarHBondContact ND1-OG1 3.17Å; H1316-H1440 WeakPolarHBondContact CA-CE1 3.23Å; H1316-H1440 VanDerWaalsContact CB-CE1 3.41Å; H1316-H1440 WeakPolarHBondContact CB-CE1 3.18Å; H1316-H1440 PolarHBondContact N-CE1 3.31Å; H1316-H1440 PolarHBondContact N-NE2 3.4Å
1317V87.3Confident87.4Confident3 Ų347.8 Ų47.82%0.01823%0.234CC..  trans-125.8-10.5-171.4-62.20000114.4I485 D486 E1319 L1320 R1325 M1328 A1329I485-V1317 HydrophobicContact CG2-CG2 4.22Å; D486-V1317 WeakPolarHBondContact OD1-CG2 3.12Å; D486-V1317 PolarHBondContact OD2-N 3.2Å; V1317-E1319 PolarHBondContact O-N 3.31Å; V1317-L1320 HydrophobicContact CB-CD1 4.26Å; V1317-L1320 HydrophobicContact CG1-CD1 4.07Å; V1317-L1320 WeakPolarHBondContact O-CB 3.36Å; V1317-L1320 PolarHBondContact O-N 3.09Å; V1317-R1325 HydrophobicContact CB-CB 4.23Å; V1317-R1325 HydrophobicContact CB-CG 4.3Å; V1317-R1325 WeakPolarHBondContact O-CD 3.42Å; V1317-R1325 WeakPolarHBondContact O-CG 3.47Å; V1317-R1325 PolarHBondContact O-NE 3.3Å; V1317-M1328 HydrophobicContact CG1-CB 3.9Å; V1317-A1329 HydrophobicContact CG1-CB 4.3Å
1318S80.9Confident86.9Confident40 Ų4048.3 Ų48.328%0.2824%0.236SC..THydrogen-bonded Turntrans-55.1-40.6-179.1-170.80000111.4D486 L1320 R1325D486-S1318 WeakPolarHBondContact OD2-CB 3.47Å; D486-S1318 PolarHBondContact OD2-N 2.74Å; S1318-L1320 VanDerWaalsContact C-N 3.35Å; S1318-L1320 PolarHBondContact O-N 2.8Å; S1318-R1325 PolarHBondContact O-NH2 3.29Å
1319E77.2Confident86.3Confident20 Ų2047.1 Ų47.19%0.09323%0.233CC..THydrogen-bonded Turntrans-83.6-4.1-179.1-70.1174-130.900114.6Y947 H965 H1316 V1317 R1436 T1439Y947-E1319 HydrophobicContact CD1-CG 4.47Å; Y947-E1319 HydrophobicContact CE1-CB 3.96Å; Y947-E1319 HydrophobicContact CE1-CG 4.01Å; Y947-E1319 PolarHBondContact OH-O 2.6Å; H965-E1319 IonicContact CD2-OE1 3.82Å; H965-E1319 PolarHBondContact CD2-OE1 3.42Å; H965-E1319 IonicContact CD2-OE2 3.49Å; H965-E1319 IonicContact CG-OE1 3.76Å; H965-E1319 IonicContact NE2-OE1 2.7Å; H965-E1319 IonicContact NE2-OE2 2.74Å; H1316-E1319 IonicContact CE1-OE1 3.81Å; H1316-E1319 PolarHBondContact CE1-OE1 3.02Å; H1316-E1319 IonicContact ND1-OE1 3.3Å; H1316-E1319 PolarHBondContact ND1-OE1 2.83Å; V1317-E1319 PolarHBondContact O-N 3.31Å; E1319-R1436 HydrophobicContact CB-CB 4.18Å; E1319-R1436 HydrophobicContact CB-CG 4.14Å; E1319-R1436 WeakPolarHBondContact OE2-CG 2.98Å; E1319-T1439 PolarHBondContact OE1-OG1 2.64Å
1320L80.6Confident86Confident4 Ų453.7 Ų53.72%0.02126%0.256CS..SBendtrans-87.7153.4179.7-66171.3000111.6V1317 S1318 K1322 R1325 M1328 E1433 R1436 L1437V1317-L1320 HydrophobicContact CB-CD1 4.26Å; V1317-L1320 HydrophobicContact CG1-CD1 4.07Å; V1317-L1320 WeakPolarHBondContact O-CB 3.36Å; V1317-L1320 PolarHBondContact O-N 3.09Å; S1318-L1320 VanDerWaalsContact C-N 3.35Å; S1318-L1320 PolarHBondContact O-N 2.8Å; L1320-K1322 PolarHBondContact O-N 3.36Å; L1320-R1325 HydrophobicContact CB-CG 4.26Å; L1320-R1325 PolarHBondContact O-NE 3.21Å; L1320-R1325 PolarHBondContact O-NH2 2.93Å; L1320-M1328 HydrophobicContact CD1-CB 3.77Å; L1320-M1328 HydrophobicContact CD1-CG 3.86Å; L1320-E1433 HydrophobicContact CD2-CG 3.94Å; L1320-R1436 HydrophobicContact CD2-CB 4.31Å; L1320-L1437 HydrophobicContact CD1-CD2 3.54Å; L1320-L1437 HydrophobicContact CD1-CG 4.24Å
1321A79.2Confident85.7Confident9 Ų952.9 Ų52.97%0.07425%0.253CS..  trans-54.4137.5171.100000110.7H1323 K1324 R1325A1321-H1323 PolarHBondContact O-N 3.12Å; A1321-K1324 PolarHBondContact O-N 3.37Å; A1321-R1325 PolarHBondContact O-N 2.93Å
1322K79.3Confident85.6Confident169 Ų16954.3 Ų54.374%0.73526%0.258SS*.Hα-helixtrans-50.8-38.6-170.4-69.3-178.8-179.7177.40113.5L1320 K1324 R1325L1320-K1322 PolarHBondContact O-N 3.36Å; K1322-K1324 VanDerWaalsContact C-N 3.33Å; K1322-K1324 PolarHBondContact O-N 3.37Å; K1322-R1325 PolarHBondContact O-N 2.82Å
1323H81.7Confident85.6Confident144 Ų14451.4 Ų51.467%0.66725%0.247SC*.Hα-helixtrans-70.1-23-179.168.5-86.8000114.2A1321A1321-H1323 PolarHBondContact O-N 3.12Å
1324K83.3Confident85.8Confident51 Ų5150.3 Ų50.322%0.22224%0.241CC..Hα-helixtrans-88.9-23.9178.3-66.6-171.9176.3179.90113.4A1321 K1322 A1326 M1327 M1328 E1433A1321-K1324 PolarHBondContact O-N 3.37Å; K1322-K1324 VanDerWaalsContact C-N 3.33Å; K1322-K1324 PolarHBondContact O-N 3.37Å; K1324-A1326 PolarHBondContact O-N 3.4Å; K1324-M1327 PolarHBondContact O-N 3.08Å; K1324-M1328 HydrophobicContact CB-CG 4.45Å; K1324-M1328 WeakPolarHBondContact O-CG 3.2Å; K1324-M1328 PolarHBondContact O-N 2.93Å; K1324-E1433 IonicContact NZ-OE2 3.04Å; K1324-E1433 PolarHBondContact NZ-OE2 3.23Å
1325R84.8Confident86.1Confident67 Ų6745 Ų4525%0.25322%0.221SC..Hα-helixtrans-53.5-48.3-171.5-63.2-172.4-178.6174-7.5113.4V1317 S1318 L1320 A1321 K1322 M1327 M1328 A1329V1317-R1325 HydrophobicContact CB-CB 4.23Å; V1317-R1325 HydrophobicContact CB-CG 4.3Å; V1317-R1325 WeakPolarHBondContact O-CD 3.42Å; V1317-R1325 WeakPolarHBondContact O-CG 3.47Å; V1317-R1325 PolarHBondContact O-NE 3.3Å; S1318-R1325 PolarHBondContact O-NH2 3.29Å; L1320-R1325 HydrophobicContact CB-CG 4.26Å; L1320-R1325 PolarHBondContact O-NE 3.21Å; L1320-R1325 PolarHBondContact O-NH2 2.93Å; A1321-R1325 PolarHBondContact O-N 2.93Å; K1322-R1325 PolarHBondContact O-N 2.82Å; R1325-M1327 VanDerWaalsContact C-N 3.31Å; R1325-M1327 PolarHBondContact O-N 2.86Å; R1325-M1328 PolarHBondContact O-N 2.7Å; R1325-A1329 WeakPolarHBondContact O-CB 3.46Å; R1325-A1329 PolarHBondContact O-N 2.87Å
1326A84.3Confident86.4Confident77 Ų7745 Ų4564%0.63622%0.221SC*.Hα-helixtrans-63.7-35.2-176.500000113.4K1324K1324-A1326 PolarHBondContact O-N 3.4Å
1327M84.3Confident86.9Confident100 Ų10044 Ų4449%0.49322%0.216SC..Hα-helixtrans-73.9-46.1177.3-179.2178173.300110.9K1324 R1325 A1329 R1330K1324-M1327 PolarHBondContact O-N 3.08Å; R1325-M1327 VanDerWaalsContact C-N 3.31Å; R1325-M1327 PolarHBondContact O-N 2.86Å; M1327-A1329 VanDerWaalsContact C-N 3.33Å; M1327-A1329 PolarHBondContact O-N 3.5Å; M1327-R1330 PolarHBondContact O-N 2.98Å
1328M86Confident87.3Confident13 Ų1343.8 Ų43.86%0.06422%0.215CC..Hα-helixtrans-72.4-26.4-177.2-63.3-58.516400113V1317 L1320 K1324 R1325 R1330 R1331 E1433 L1437V1317-M1328 HydrophobicContact CG1-CB 3.9Å; L1320-M1328 HydrophobicContact CD1-CB 3.77Å; L1320-M1328 HydrophobicContact CD1-CG 3.86Å; K1324-M1328 HydrophobicContact CB-CG 4.45Å; K1324-M1328 WeakPolarHBondContact O-CG 3.2Å; K1324-M1328 PolarHBondContact O-N 2.93Å; R1325-M1328 PolarHBondContact O-N 2.7Å; M1328-R1330 PolarHBondContact O-N 3.13Å; M1328-R1331 VanDerWaalsContact O-CB 3.32Å; M1328-R1331 WeakPolarHBondContact O-CB 3.48Å; M1328-R1331 PolarHBondContact O-N 3.13Å; M1328-R1331 PolarHBondContact SD-NH1 3.04Å; M1328-R1331 VanDerWaalsContact SD-NH1 3.43Å; M1328-E1433 WeakPolarHBondContact CE-OE1 3.37Å; M1328-L1437 HydrophobicContact CB-CD2 3.89Å; M1328-L1437 HydrophobicContact CG-CD2 4.25Å; M1328-L1437 HydrophobicContact SD-CD1 4.42Å; M1328-L1437 HydrophobicContact SD-CD2 4.49Å
1329A84.1Confident88Confident18 Ų1843.1 Ų43.115%0.14921%0.214CC..THydrogen-bonded Turntrans-59.7-17.2174.600000114.2R1314 V1317 R1325 M1327R1314-A1329 VanDerWaalsContact CD-O 3.31Å; R1314-A1329 WeakPolarHBondContact CD-O 3.49Å; R1314-A1329 WeakPolarHBondContact CG-O 3.45Å; R1314-A1329 PolarHBondContact NE-O 3.07Å; R1314-A1329 VanDerWaalsContact NH2-CB 3.27Å; V1317-A1329 HydrophobicContact CG1-CB 4.3Å; R1325-A1329 WeakPolarHBondContact O-CB 3.46Å; R1325-A1329 PolarHBondContact O-N 2.87Å; M1327-A1329 VanDerWaalsContact C-N 3.33Å; M1327-A1329 PolarHBondContact O-N 3.5Å
1330R88.9Confident88.8Confident146 Ų14642.6 Ų42.655%0.55121%0.212SC*.THydrogen-bonded Turntrans-98.99.6176.9-58.3-178.4175.8-175.7-1.5112.9N1263 M1327 M1328N1263-R1330 WeakPolarHBondContact CA-O 3.32Å; N1263-R1330 HydrophobicContact CB-CB 4.31Å; N1263-R1330 PolarHBondContact N-O 3Å; N1263-R1330 VanDerWaalsContact OD1-CD 3.28Å; N1263-R1330 WeakPolarHBondContact OD1-CD 3.19Å; M1327-R1330 PolarHBondContact O-N 2.98Å; M1328-R1330 PolarHBondContact O-N 3.13Å
1331R91.9Very high89.5Confident9 Ų942.4 Ų42.43%0.03421%0.211CC..BIsolated β-bridgetrans-101.8142.1172.8-174.1171.5-69.5160.53.2108.9D1262 S1315 M1328 L1347 P1348D1262-R1331 IonicContact OD1-CZ 3.5Å; D1262-R1331 VanDerWaalsContact OD1-CZ 3.3Å; D1262-R1331 IonicContact OD1-NE 3.47Å; D1262-R1331 PolarHBondContact OD1-NE 3.18Å; D1262-R1331 IonicContact OD1-NH2 3.76Å; D1262-R1331 PolarHBondContact OD1-NH2 3.41Å; D1262-R1331 IonicContact OD2-NH2 2.67Å; S1315-R1331 WeakPolarHBondContact CB-O 3.37Å; S1315-R1331 PolarHBondContact N-O 3.28Å; S1315-R1331 PolarHBondContact OG-O 3.13Å; M1328-R1331 VanDerWaalsContact O-CB 3.32Å; M1328-R1331 WeakPolarHBondContact O-CB 3.48Å; M1328-R1331 PolarHBondContact O-N 3.13Å; M1328-R1331 PolarHBondContact SD-NH1 3.04Å; M1328-R1331 VanDerWaalsContact SD-NH1 3.43Å; R1331-L1347 HydrophobicContact CG-CD1 4.17Å; R1331-P1348 VanDerWaalsContact CD-O 3.27Å; R1331-P1348 WeakPolarHBondContact CD-O 3.48Å; R1331-P1348 HydrophobicContact CG-CG 3.73Å; R1331-P1348 PolarHBondContact NE-O 2.78Å
1332H93.4Very high90.2Very high50 Ų5042 Ų4223%0.23121%0.208CC..EExtended strand (participates in β ladder)trans-115.1139.6175.3-69.9-137.8000109.5I1261 R1312 L1313 P1348I1261-H1332 HydrophobicContact CB-CB 4.13Å; I1261-H1332 PolarHBondContact O-N 2.81Å; R1312-H1332 HydrophobicContact CG-CB 3.91Å; L1313-H1332 CarbonylContact O-C 3.55Å; L1313-H1332 WeakPolarHBondContact O-CA 3.5Å; L1313-H1332 WeakPolarHBondContact O-CB 3.48Å; H1332-P1348 WeakPolarHBondContact O-CD 3.35Å
1333C93.4Very high90.9Very high0 Ų034 Ų340%017%0.173CC..EExtended strand (participates in β ladder)trans-91.9144.6167.9-172.20000109.2R1312 L1313 Y1335 L1347R1312-C1333 WeakPolarHBondContact CA-O 3.09Å; L1313-C1333 PolarHBondContact N-O 2.79Å; L1313-C1333 PolarHBondContact O-N 3.44Å; L1313-C1333 VanDerWaalsContact O-O 3.1Å; C1333-Y1335 HydrophobicContact CB-CE2 4.33Å; C1333-L1347 HydrophobicContact CB-CD1 4.12Å
1334L95.8Very high91.6Very high2 Ų227.2 Ų27.21%0.0114%0.142CC..EExtended strand (participates in β ladder)trans-109.1132.6169.3-75.9160.8000108.9D1258 V1260 L1269 V1311 R1312 S1345 F1346D1258-L1334 HydrophobicContact CB-CD2 3.87Å; D1258-L1334 WeakPolarHBondContact OD2-CD2 3.41Å; V1260-L1334 HydrophobicContact CG2-CD1 3.86Å; L1269-L1334 HydrophobicContact CB-CD1 4.45Å; L1269-L1334 HydrophobicContact CD2-CD1 3.82Å; V1311-L1334 CarbonylContact O-C 3.58Å; V1311-L1334 WeakPolarHBondContact O-CA 3.2Å; R1312-L1334 HydrophobicContact CB-CD2 3.56Å; R1312-L1334 HydrophobicContact CG-CD2 3.85Å; R1312-L1334 HydrophobicContact CG-CG 4.37Å; L1334-S1345 CarbonylContact O-C 3.54Å; L1334-S1345 VanDerWaalsContact O-CA 3.28Å; L1334-S1345 WeakPolarHBondContact O-CA 3.26Å; L1334-F1346 HydrophobicContact CB-CB 4.14Å; L1334-F1346 HydrophobicContact CD1-CD1 4.19Å; L1334-F1346 PolarHBondContact N-O 3.25Å; L1334-F1346 PolarHBondContact O-N 2.84Å
1335Y95.6Very high92.1Very high0 Ų025 Ų250%013%0.132CC..EExtended strand (participates in β ladder)trans-103.8140.7169.3-64.2-82.6000109.3I8 I491 F1310 V1311 L1313 C1333 N1344 T1438 H1440 F1441I8-Y1335 HydrophobicContact CD1-CD1 3.78Å; I8-Y1335 HydrophobicContact CD1-CE1 3.47Å; I8-Y1335 VanDerWaalsContact CD1-CE1 3.47Å; I491-Y1335 HydrophobicContact CD1-CD1 4.09Å; I491-Y1335 HydrophobicContact CD1-CD2 4.1Å; I491-Y1335 HydrophobicContact CD1-CG 3.85Å; F1310-Y1335 WeakPolarHBondContact CA-O 3.32Å; V1311-Y1335 PolarHBondContact N-O 3.15Å; V1311-Y1335 PolarHBondContact O-N 2.66Å; L1313-Y1335 HydrophobicContact CB-CE2 4.32Å; L1313-Y1335 HydrophobicContact CD2-CE2 4.47Å; C1333-Y1335 HydrophobicContact CB-CE2 4.33Å; Y1335-N1344 CarbonylContact C-O 3.57Å; Y1335-N1344 VanDerWaalsContact CA-O 3.31Å; Y1335-N1344 WeakPolarHBondContact CA-O 3.38Å; Y1335-T1438 PolarHBondContact OH-O 2.76Å; Y1335-H1440 PolarHBondContact OH-CD2 2.73Å; Y1335-F1441 HydrophobicContact CD1-CE1 4.08Å; Y1335-F1441 HydrophobicContact CD1-CZ 4.21Å; Y1335-F1441 AromaticContact CE1-CE1 3.46Å; Y1335-F1441 HydrophobicContact CE1-CE1 3.46Å; Y1335-F1441 VanDerWaalsContact CE1-CE1 3.46Å; Y1335-F1441 AromaticContact CE1-CZ 3.83Å; Y1335-F1441 HydrophobicContact CE1-CZ 3.83Å; Y1335-F1441 HydrophobicContact CE2-CE1 4.09Å; Y1335-F1441 AromaticContact CZ-CE1 3.47Å; Y1335-F1441 VanDerWaalsContact CZ-CE1 3.47Å
1336I96.9Very high92.6Very high1 Ų121.8 Ų21.81%0.00512%0.12CC..EExtended strand (participates in β ladder)trans-128.5121.4-169.8-53.5179000108.8L1269 L1277 A1307 C1309 F1310 N1344 F1346L1269-I1336 HydrophobicContact CD2-CD1 4.46Å; L1277-I1336 HydrophobicContact CD1-CD1 3.95Å; L1277-I1336 HydrophobicContact CD2-CD1 4.41Å; A1307-I1336 HydrophobicContact CB-CG2 3.5Å; C1309-I1336 WeakPolarHBondContact O-CA 3.43Å; F1310-I1336 HydrophobicContact CD1-CB 4.08Å; F1310-I1336 HydrophobicContact CD1-CD1 4.27Å; F1310-I1336 HydrophobicContact CD1-CG1 3.64Å; F1310-I1336 HydrophobicContact CD1-CG2 3.88Å; F1310-I1336 HydrophobicContact CE1-CB 4.21Å; F1310-I1336 HydrophobicContact CE1-CD1 3.88Å; F1310-I1336 HydrophobicContact CE1-CG1 3.75Å; F1310-I1336 HydrophobicContact CE1-CG2 3.66Å; I1336-N1344 HydrophobicContact CB-CB 4.17Å; I1336-N1344 PolarHBondContact N-O 2.87Å; I1336-N1344 PolarHBondContact O-N 2.76Å; I1336-F1346 HydrophobicContact CD1-CB 4.06Å
1337G96.5Very high93.2Very high0 Ų018.3 Ų18.30%09%0.091CC..EExtended strand (participates in β ladder)trans-83.4124.4171.900000111.8I1308 C1309I1308-G1337 PolarHBondContact N-O 2.75Å; C1309-G1337 PolarHBondContact O-N 3.31Å
1338G95.4Very high93.7Very high0 Ų013.5 Ų13.50%07%0.067CC..EExtended strand (participates in β ladder)trans-90.9149177.400000113.5I466 N1306 D1340 G1341 S1342I466-G1338 PolarHBondContact N-O 2.79Å; N1306-G1338 WeakPolarHBondContact O-CA 3.49Å; G1338-D1340 PolarHBondContact O-N 3.33Å; G1338-G1341 PolarHBondContact O-N 2.79Å; G1338-S1342 WeakPolarHBondContact CA-O 3.19Å; G1338-S1342 PolarHBondContact N-O 2.79Å
1339G94.6Very high94.1Very high25 Ų2513.1 Ų13.126%0.2587%0.066SC..THydrogen-bonded Turntrans-65.2-17.7174.300000114.8P465 T1305 N1306 I1308P465-G1339 WeakPolarHBondContact CA-O 3.48Å; P465-G1339 WeakPolarHBondContact CB-O 3.46Å; T1305-G1339 PolarHBondContact OG1-N 3.31Å; N1306-G1339 PolarHBondContact O-N 2.82Å; I1308-G1339 VanDerWaalsContact CD1-CA 3.44Å
1340D95Very high94.4Very high9 Ų914 Ų145%0.0487%0.071CC..THydrogen-bonded Turntrans-99.311.5177.761.5-12.7000113.9P11 T12 A13 N35 T1305 G1338 S1342P11-D1340 HydrophobicContact CB-CB 4.35Å; P11-D1340 WeakPolarHBondContact CB-OD2 3.42Å; T12-D1340 PolarHBondContact N-O 3.14Å; T12-D1340 VanDerWaalsContact N-O 3.09Å; A13-D1340 HydrophobicContact CB-CB 4.05Å; A13-D1340 VanDerWaalsContact CB-O 3.31Å; A13-D1340 WeakPolarHBondContact CB-O 3.14Å; A13-D1340 PolarHBondContact N-O 3.28Å; N35-D1340 WeakPolarHBondContact ND2-CB 3.22Å; N35-D1340 PolarHBondContact ND2-OD2 2.94Å; T1305-D1340 WeakPolarHBondContact CB-OD1 3.39Å; T1305-D1340 WeakPolarHBondContact CG2-OD1 3.43Å; T1305-D1340 PolarHBondContact OG1-OD1 3.04Å; G1338-D1340 PolarHBondContact O-N 3.33Å; D1340-S1342 VanDerWaalsContact C-N 3.31Å; D1340-S1342 WeakPolarHBondContact OD1-CB 3.43Å; D1340-S1342 PolarHBondContact OD1-N 3.39Å; D1340-S1342 PolarHBondContact OD1-OG 2.81Å
1341G94.6Very high94.6Very high0 Ų011.1 Ų11.10%06%0.064CC..SBendtrans84.9-2.2-178.600000114.6G464 G1338G464-G1341 VanDerWaalsContact N-CA 3.35Å; G1338-G1341 PolarHBondContact O-N 2.79Å
1342S94.8Very high94.7Very high1 Ų118.5 Ų18.51%0.00710%0.096CC..  trans-69.1139.1176.861.40000111.8G1338 D1340 N1344G1338-S1342 WeakPolarHBondContact CA-O 3.19Å; G1338-S1342 PolarHBondContact N-O 2.79Å; D1340-S1342 VanDerWaalsContact C-N 3.31Å; D1340-S1342 WeakPolarHBondContact OD1-CB 3.43Å; D1340-S1342 PolarHBondContact OD1-N 3.39Å; D1340-S1342 PolarHBondContact OD1-OG 2.81Å; S1342-N1344 PolarHBondContact OG-ND2 3.27Å
1343L94.5Very high94.7Very high1 Ų117.1 Ų17.11%0.0059%0.091CC..EExtended strand (participates in β ladder)trans-104.1124.6169.6-17868.7000109.4I8 D9 I469 I491 L506 F1441I8-L1343 WeakPolarHBondContact CA-O 3.44Å; I8-L1343 WeakPolarHBondContact CB-O 3.24Å; I8-L1343 PolarHBondContact N-O 3.27Å; D9-L1343 HydrophobicContact CB-CB 4.14Å; D9-L1343 PolarHBondContact N-O 2.81Å; I469-L1343 HydrophobicContact CD1-CD1 4.03Å; I491-L1343 HydrophobicContact CD1-CD2 4.49Å; L506-L1343 HydrophobicContact CD1-CD2 3.84Å; L1343-F1441 HydrophobicContact CD2-CE2 4.12Å; L1343-F1441 HydrophobicContact CD2-CZ 3.97Å
1344N95Very high94.8Very high1 Ų117.7 Ų17.71%0.0059%0.093CC..EExtended strand (participates in β ladder)trans-123.1158.2-174.3-51-72.1000111.4Y5 R6 Q7 Y1335 I1336 S1342Y5-N1344 HydrophobicContact CE2-CB 3.6Å; Y5-N1344 WeakPolarHBondContact OH-CB 3.3Å; Y5-N1344 PolarHBondContact OH-ND2 2.7Å; Y5-N1344 PolarHBondContact OH-OD1 3.07Å; R6-N1344 CarbonylContact O-C 3.51Å; R6-N1344 WeakPolarHBondContact O-CA 3.36Å; Q7-N1344 VanDerWaalsContact CA-OD1 3.26Å; Q7-N1344 WeakPolarHBondContact CA-OD1 3.46Å; Q7-N1344 WeakPolarHBondContact CB-OD1 3.31Å; Q7-N1344 VanDerWaalsContact CG-OD1 3.27Å; Q7-N1344 WeakPolarHBondContact CG-OD1 3.43Å; Y1335-N1344 CarbonylContact C-O 3.57Å; Y1335-N1344 VanDerWaalsContact CA-O 3.31Å; Y1335-N1344 WeakPolarHBondContact CA-O 3.38Å; I1336-N1344 HydrophobicContact CB-CB 4.17Å; I1336-N1344 PolarHBondContact N-O 2.87Å; I1336-N1344 PolarHBondContact O-N 2.76Å; S1342-N1344 PolarHBondContact OG-ND2 3.27Å
1345S94.5Very high94.8Very high4 Ų424.8 Ų24.83%0.02812%0.12CC..EExtended strand (participates in β ladder)trans-125.5148.3176.455.40000111.7Y5 R6 I8 L1334Y5-S1345 WeakPolarHBondContact CA-O 3.39Å; R6-S1345 PolarHBondContact N-O 2.85Å; R6-S1345 PolarHBondContact O-N 3.37Å; R6-S1345 PolarHBondContact O-OG 3.06Å; I8-S1345 VanDerWaalsContact CD1-CB 3.49Å; L1334-S1345 CarbonylContact O-C 3.54Å; L1334-S1345 VanDerWaalsContact O-CA 3.28Å; L1334-S1345 WeakPolarHBondContact O-CA 3.26Å
1346F96.2Very high94.8Very high0 Ų026.6 Ų26.60%013%0.127CC..EExtended strand (participates in β ladder)trans-134.4118.6177.9-174.4-85.7000109.2S3 V1260 L1269 L1277 V1279 L1334 I1336 I1396S3-F1346 WeakPolarHBondContact OG-CE1 3.42Å; S3-F1346 WeakPolarHBondContact OG-CZ 3.17Å; V1260-F1346 HydrophobicContact CG1-CE1 4.04Å; V1260-F1346 HydrophobicContact CG2-CD1 4.41Å; V1260-F1346 HydrophobicContact CG2-CE1 3.87Å; L1269-F1346 HydrophobicContact CD1-CE1 4.36Å; L1269-F1346 HydrophobicContact CD1-CE2 4.27Å; L1269-F1346 HydrophobicContact CD1-CZ 4.11Å; L1269-F1346 HydrophobicContact CD2-CD1 4.29Å; L1269-F1346 HydrophobicContact CD2-CG 4.34Å; L1277-F1346 HydrophobicContact CD1-CD2 4.32Å; V1279-F1346 HydrophobicContact CG2-CE1 4.41Å; V1279-F1346 HydrophobicContact CG2-CE2 4.47Å; V1279-F1346 HydrophobicContact CG2-CZ 3.65Å; L1334-F1346 HydrophobicContact CB-CB 4.14Å; L1334-F1346 HydrophobicContact CD1-CD1 4.19Å; L1334-F1346 PolarHBondContact N-O 3.25Å; L1334-F1346 PolarHBondContact O-N 2.84Å; I1336-F1346 HydrophobicContact CD1-CB 4.06Å; F1346-I1396 HydrophobicContact CE2-CD1 3.87Å; F1346-I1396 HydrophobicContact CE2-CG1 4.09Å; F1346-I1396 HydrophobicContact CE2-CG2 3.98Å; F1346-I1396 HydrophobicContact CZ-CD1 4.39Å; F1346-I1396 HydrophobicContact CZ-CG1 4.46Å
1347L95.2Very high94.7Very high4 Ų426.5 Ų26.52%0.02113%0.126CC..EExtended strand (participates in β ladder)trans-127.8128.2-174-17475.9000110.1S3 V4 R1331 C1333 L1434 L1437S3-L1347 CarbonylContact C-O 3.56Å; S3-L1347 VanDerWaalsContact CA-O 3.28Å; S3-L1347 WeakPolarHBondContact CA-O 3.48Å; S3-L1347 WeakPolarHBondContact CB-O 3.41Å; V4-L1347 HydrophobicContact CG1-CB 4Å; V4-L1347 PolarHBondContact N-O 2.63Å; V4-L1347 PolarHBondContact O-N 2.81Å; R1331-L1347 HydrophobicContact CG-CD1 4.17Å; C1333-L1347 HydrophobicContact CB-CD1 4.12Å; L1347-L1434 HydrophobicContact CD2-CD2 3.86Å; L1347-L1437 HydrophobicContact CD2-CB 4.14Å; L1347-L1437 HydrophobicContact CD2-CD1 3.89Å
1348P95.8Very high94.7Very high0 Ų029.4 Ų29.40%014%0.142CC..EExtended strand (participates in β ladder)trans-72.814817330.8-34.3000111.3M1 Y2 V1260 D1262 R1331 H1332M1-P1348 HydrophobicContact CE-CB 3.77Å; M1-P1348 HydrophobicContact CE-CG 4.39Å; M1-P1348 HydrophobicContact CG-CB 4.43Å; M1-P1348 HydrophobicContact SD-CB 4.26Å; Y2-P1348 CarbonylContact O-C 3.56Å; Y2-P1348 WeakPolarHBondContact O-CA 3.36Å; V1260-P1348 HydrophobicContact CG1-CB 3.88Å; V1260-P1348 HydrophobicContact CG1-CG 3.9Å; D1262-P1348 HydrophobicContact CB-CB 3.85Å; D1262-P1348 HydrophobicContact CB-CG 3.83Å; R1331-P1348 VanDerWaalsContact CD-O 3.27Å; R1331-P1348 WeakPolarHBondContact CD-O 3.48Å; R1331-P1348 HydrophobicContact CG-CG 3.73Å; R1331-P1348 PolarHBondContact NE-O 2.78Å; H1332-P1348 WeakPolarHBondContact O-CD 3.35Å
1349L93.8Very high94.7Very high5 Ų533.8 Ų33.83%0.02616%0.164CC..EExtended strand (participates in β ladder)trans-121.1148.2-175.9-63-175000111.7Y2 V4 Y1354 L1357 L1397 L1434Y2-L1349 PolarHBondContact O-N 3.46Å; V4-L1349 HydrophobicContact CB-CD1 3.9Å; V4-L1349 HydrophobicContact CB-CG 4.32Å; V4-L1349 HydrophobicContact CG1-CD1 4.08Å; V4-L1349 HydrophobicContact CG1-CD2 3.89Å; V4-L1349 HydrophobicContact CG1-CG 4.06Å; L1349-Y1354 HydrophobicContact CD1-CD2 4.5Å; L1349-L1357 HydrophobicContact CD1-CD1 4.4Å; L1349-L1397 HydrophobicContact CD1-CD1 3.96Å; L1349-L1434 HydrophobicContact CD2-CD2 3.38Å
1350S91.7Very high94.8Very high37 Ų3732.6 Ų32.626%0.25915%0.152SC..  trans-66.6146.316475.30000110.2K1352 V1353 Y1354S1350-K1352 VanDerWaalsContact C-N 3.27Å; S1350-K1352 PolarHBondContact O-N 2.86Å; S1350-V1353 PolarHBondContact O-N 3.23Å; S1350-V1353 WeakPolarHBondContact OG-CG2 3.33Å; S1350-Y1354 WeakPolarHBondContact O-CB 3.43Å; S1350-Y1354 PolarHBondContact O-N 3.21Å
1351E91.9Very high94.8Very high85 Ų8533.5 Ų33.540%0.39716%0.156SC..Hα-helixtrans-56.1-40-179.3-179.9170.1-170.400113.2Y2 V1353 Y1354 R1355Y2-E1351 HydrophobicContact CD2-CB 3.83Å; Y2-E1351 HydrophobicContact CD2-CG 4.16Å; Y2-E1351 HydrophobicContact CE2-CB 3.59Å; Y2-E1351 HydrophobicContact CE2-CG 3.48Å; Y2-E1351 VanDerWaalsContact CE2-CG 3.48Å; E1351-V1353 PolarHBondContact O-N 2.72Å; E1351-Y1354 PolarHBondContact O-N 2.79Å; E1351-R1355 HydrophobicContact CG-CG 4.29Å; E1351-R1355 WeakPolarHBondContact O-CG 3.49Å; E1351-R1355 PolarHBondContact O-N 3.36Å; E1351-R1355 IonicContact OE1-CZ 3.51Å; E1351-R1355 IonicContact OE1-NE 3.27Å; E1351-R1355 PolarHBondContact OE1-NE 2.9Å; E1351-R1355 IonicContact OE1-NH2 3.74Å; E1351-R1355 PolarHBondContact OE1-NH2 2.93Å
1352K93.2Very high94.8Very high163 Ų16335.8 Ų35.871%0.70917%0.172SC*.Hα-helixtrans-60-46.5179.2-175.2-179.9179.2-178.50111.8S1350 R1356S1350-K1352 VanDerWaalsContact C-N 3.27Å; S1350-K1352 PolarHBondContact O-N 2.86Å; K1352-R1356 PolarHBondContact O-N 3.48Å
1353V93.5Very high94.7Very high22 Ų2238.6 Ų38.613%0.13319%0.186CC..Hα-helixtrans-70-43.6178.8175.50000110S1350 E1351 R1355 R1356 L1357S1350-V1353 PolarHBondContact O-N 3.23Å; S1350-V1353 WeakPolarHBondContact OG-CG2 3.33Å; E1351-V1353 PolarHBondContact O-N 2.72Å; V1353-R1355 PolarHBondContact O-N 2.79Å; V1353-R1356 PolarHBondContact O-N 2.75Å; V1353-L1357 HydrophobicContact CG1-CD1 3.65Å; V1353-L1357 HydrophobicContact CG1-CG 4.17Å; V1353-L1357 WeakPolarHBondContact O-CG 3.37Å; V1353-L1357 PolarHBondContact O-N 2.93Å
1354Y96Very high94.6Very high11 Ų1138.6 Ų38.64%0.04319%0.186CC..Hα-helixtrans-56.8-50.5177.7172.9-93.4000112.6Y2 L1349 S1350 E1351 R1356 L1357 L1358 N1395 L1397Y2-Y1354 AromaticContact CD1-CD1 3.21Å; Y2-Y1354 HydrophobicContact CD1-CD1 3.21Å; Y2-Y1354 AromaticContact CD1-CD2 3.84Å; Y2-Y1354 HydrophobicContact CD1-CD2 3.84Å; Y2-Y1354 AromaticContact CD1-CE1 3.34Å; Y2-Y1354 HydrophobicContact CD1-CE1 3.34Å; Y2-Y1354 AromaticContact CD1-CE2 3.92Å; Y2-Y1354 HydrophobicContact CD1-CE2 3.92Å; Y2-Y1354 AromaticContact CD1-CG 3.5Å; Y2-Y1354 HydrophobicContact CD1-CG 3.5Å; Y2-Y1354 AromaticContact CD1-CZ 3.73Å; Y2-Y1354 HydrophobicContact CD2-CD1 4.36Å; Y2-Y1354 HydrophobicContact CD2-CG 4.39Å; Y2-Y1354 AromaticContact CE1-CD1 3.58Å; Y2-Y1354 HydrophobicContact CE1-CD1 3.58Å; Y2-Y1354 AromaticContact CE1-CE1 3.54Å; Y2-Y1354 HydrophobicContact CE1-CE1 3.54Å; Y2-Y1354 HydrophobicContact CE1-CG 4.32Å; Y2-Y1354 AromaticContact CG-CD1 3.65Å; Y2-Y1354 HydrophobicContact CG-CD1 3.65Å; Y2-Y1354 AromaticContact CG-CD2 3.99Å; Y2-Y1354 HydrophobicContact CG-CD2 3.99Å; Y2-Y1354 HydrophobicContact CG-CE1 4.23Å; Y2-Y1354 AromaticContact CG-CG 3.53Å; Y2-Y1354 HydrophobicContact CG-CG 3.53Å; L1349-Y1354 HydrophobicContact CD1-CD2 4.5Å; S1350-Y1354 WeakPolarHBondContact O-CB 3.43Å; S1350-Y1354 PolarHBondContact O-N 3.21Å; E1351-Y1354 PolarHBondContact O-N 2.79Å; Y1354-R1356 VanDerWaalsContact C-N 3.3Å; Y1354-R1356 PolarHBondContact O-N 3.45Å; Y1354-L1357 PolarHBondContact O-N 3.27Å; Y1354-L1358 HydrophobicContact CE1-CB 4.36Å; Y1354-L1358 HydrophobicContact CE1-CD2 3.9Å; Y1354-L1358 VanDerWaalsContact O-CB 3.32Å; Y1354-L1358 WeakPolarHBondContact O-CB 3.5Å; Y1354-L1358 PolarHBondContact O-N 2.91Å; Y1354-N1395 WeakPolarHBondContact OH-CA 3.35Å; Y1354-L1397 HydrophobicContact CD2-CD1 3.68Å; Y1354-L1397 HydrophobicContact CD2-CD2 4.05Å; Y1354-L1397 HydrophobicContact CD2-CG 3.63Å; Y1354-L1397 HydrophobicContact CE2-CD1 4.04Å; Y1354-L1397 HydrophobicContact CE2-CD2 3.54Å; Y1354-L1397 HydrophobicContact CE2-CG 3.49Å; Y1354-L1397 VanDerWaalsContact CE2-CG 3.49Å; Y1354-L1397 HydrophobicContact CG-CD1 4.48Å
1355R95.6Very high94.4Very high151 Ų15139.3 Ų39.357%0.5719%0.189SC*.Hα-helixtrans-59.7-40.9-177.9-73.4178.4179.6-149.81.9111.9E1351 V1353 L1359E1351-R1355 HydrophobicContact CG-CG 4.29Å; E1351-R1355 WeakPolarHBondContact O-CG 3.49Å; E1351-R1355 PolarHBondContact O-N 3.36Å; E1351-R1355 IonicContact OE1-CZ 3.51Å; E1351-R1355 IonicContact OE1-NE 3.27Å; E1351-R1355 PolarHBondContact OE1-NE 2.9Å; E1351-R1355 IonicContact OE1-NH2 3.74Å; E1351-R1355 PolarHBondContact OE1-NH2 2.93Å; V1353-R1355 PolarHBondContact O-N 2.79Å; R1355-L1359 WeakPolarHBondContact O-CG 3.16Å; R1355-L1359 PolarHBondContact O-N 2.93Å
1356R95.4Very high94.2Very high38 Ų3844.5 Ų44.514%0.14322%0.221CC..Hα-helixtrans-66.9-46.5177.3178.8167.253.8-143.41.1111.8K1352 V1353 Y1354 L1358 L1359 L1360 T1422 L1427 D1430K1352-R1356 PolarHBondContact O-N 3.48Å; V1353-R1356 PolarHBondContact O-N 2.75Å; Y1354-R1356 VanDerWaalsContact C-N 3.3Å; Y1354-R1356 PolarHBondContact O-N 3.45Å; R1356-L1358 VanDerWaalsContact C-N 3.3Å; R1356-L1358 PolarHBondContact O-N 3.28Å; R1356-L1359 PolarHBondContact O-N 2.86Å; R1356-L1360 PolarHBondContact O-N 3.28Å; R1356-L1360 VanDerWaalsContact O-N 3.12Å; R1356-T1422 HydrophobicContact CG-CG2 4.45Å; R1356-L1427 HydrophobicContact CG-CD2 3.78Å; R1356-D1430 IonicContact CZ-OD1 2.77Å; R1356-D1430 IonicContact CZ-OD2 2.63Å; R1356-D1430 IonicContact NE-OD2 2.8Å; R1356-D1430 PolarHBondContact NE-OD2 3.13Å; R1356-D1430 IonicContact NH2-OD1 3.16Å; R1356-D1430 PolarHBondContact NH2-OD1 3Å; R1356-D1430 IonicContact NH2-OD2 3.03Å; R1356-D1430 PolarHBondContact NH2-OD2 2.86Å
1357L96.6Very high93.8Very high0 Ų047.3 Ų47.30%024%0.238CC..Hα-helixtrans-70-26178.3-65.5179.2000112.8L1349 V1353 Y1354 L1360 Q1361 L1397 L1402 L1427 D1430 L1431 L1434L1349-L1357 HydrophobicContact CD1-CD1 4.4Å; V1353-L1357 HydrophobicContact CG1-CD1 3.65Å; V1353-L1357 HydrophobicContact CG1-CG 4.17Å; V1353-L1357 WeakPolarHBondContact O-CG 3.37Å; V1353-L1357 PolarHBondContact O-N 2.93Å; Y1354-L1357 PolarHBondContact O-N 3.27Å; L1357-L1360 HydrophobicContact CD2-CD2 4.11Å; L1357-L1360 WeakPolarHBondContact O-CB 3.32Å; L1357-L1360 PolarHBondContact O-N 3.38Å; L1357-Q1361 PolarHBondContact O-N 3.32Å; L1357-L1397 HydrophobicContact CB-CD1 3.46Å; L1357-L1397 VanDerWaalsContact CB-CD1 3.46Å; L1357-L1397 HydrophobicContact CD1-CD1 4.37Å; L1357-L1402 HydrophobicContact CB-CD1 4.18Å; L1357-L1402 HydrophobicContact CB-CD2 4.2Å; L1357-L1402 HydrophobicContact CD1-CD1 4.27Å; L1357-L1402 VanDerWaalsContact O-CD2 3.27Å; L1357-L1402 WeakPolarHBondContact O-CD2 3.46Å; L1357-L1427 HydrophobicContact CD2-CD2 4.5Å; L1357-D1430 HydrophobicContact CD2-CB 4.36Å; L1357-L1431 HydrophobicContact CD2-CD2 4.33Å; L1357-L1434 HydrophobicContact CD1-CD1 3.78Å
1358L96.1Very high93.3Very high61 Ų6148.7 Ų48.732%0.31925%0.247SC..Hα-helixtrans-65.1-40.8172.4179.863.9000112Y1354 R1356 L1360 Q1361 S1362 L1397Y1354-L1358 HydrophobicContact CE1-CB 4.36Å; Y1354-L1358 HydrophobicContact CE1-CD2 3.9Å; Y1354-L1358 VanDerWaalsContact O-CB 3.32Å; Y1354-L1358 WeakPolarHBondContact O-CB 3.5Å; Y1354-L1358 PolarHBondContact O-N 2.91Å; R1356-L1358 VanDerWaalsContact C-N 3.3Å; R1356-L1358 PolarHBondContact O-N 3.28Å; L1358-L1360 VanDerWaalsContact C-N 3.34Å; L1358-Q1361 PolarHBondContact O-N 3.33Å; L1358-S1362 PolarHBondContact O-N 2.73Å; L1358-S1362 VanDerWaalsContact O-N 3.09Å; L1358-S1362 PolarHBondContact O-OG 2.76Å; L1358-L1397 HydrophobicContact CB-CD2 3.99Å; L1358-L1397 HydrophobicContact CD1-CD2 3.78Å
1359L95.9Very high92.8Very high91 Ų9154.4 Ų54.448%0.47628%0.284SS..Hα-helixtrans-64.6-41.6173-65173.4000110.5R1355 R1356 S1362 M1363 I1420R1355-L1359 WeakPolarHBondContact O-CG 3.16Å; R1355-L1359 PolarHBondContact O-N 2.93Å; R1356-L1359 PolarHBondContact O-N 2.86Å; L1359-S1362 PolarHBondContact O-N 3.17Å; L1359-M1363 PolarHBondContact O-N 2.86Å; L1359-I1420 HydrophobicContact CB-CB 4.47Å; L1359-I1420 HydrophobicContact CB-CG1 4.1Å; L1359-I1420 HydrophobicContact CB-CG2 3.74Å; L1359-I1420 HydrophobicContact CD1-CG2 3.92Å; L1359-I1420 HydrophobicContact CG-CG2 4.5Å
1360L96.4Very high92.5Very high0 Ų055.7 Ų55.70%029%0.29CS..Hα-helixtrans-58.1-51.4173.3-179.561.1000111.8R1356 L1357 L1358 S1362 M1363 M1364 L1402 Y1405 V1416 I1420 L1427R1356-L1360 PolarHBondContact O-N 3.28Å; R1356-L1360 VanDerWaalsContact O-N 3.12Å; L1357-L1360 HydrophobicContact CD2-CD2 4.11Å; L1357-L1360 WeakPolarHBondContact O-CB 3.32Å; L1357-L1360 PolarHBondContact O-N 3.38Å; L1358-L1360 VanDerWaalsContact C-N 3.34Å; L1360-S1362 PolarHBondContact O-N 2.83Å; L1360-M1363 PolarHBondContact O-N 3.13Å; L1360-M1363 VanDerWaalsContact O-N 3.08Å; L1360-M1364 HydrophobicContact CD1-CG 3.99Å; L1360-M1364 HydrophobicContact CD1-SD 4.28Å; L1360-M1364 HydrophobicContact CG-CG 4.12Å; L1360-M1364 VanDerWaalsContact O-CG 3.29Å; L1360-M1364 WeakPolarHBondContact O-CG 3.36Å; L1360-M1364 PolarHBondContact O-N 2.7Å; L1360-L1402 HydrophobicContact CB-CD2 4.2Å; L1360-L1402 HydrophobicContact CD2-CD2 4.06Å; L1360-L1402 HydrophobicContact CG-CD2 4.11Å; L1360-Y1405 HydrophobicContact CD1-CD2 3.7Å; L1360-Y1405 HydrophobicContact CD1-CE2 4.05Å; L1360-Y1405 HydrophobicContact CD1-CG 4.05Å; L1360-Y1405 HydrophobicContact CD2-CD1 4.46Å; L1360-Y1405 HydrophobicContact CD2-CG 4.29Å; L1360-V1416 HydrophobicContact CD1-CG1 3.66Å; L1360-I1420 HydrophobicContact CB-CD1 3.96Å; L1360-I1420 HydrophobicContact CD1-CD1 3.91Å; L1360-L1427 HydrophobicContact CD1-CD1 4.21Å; L1360-L1427 HydrophobicContact CD2-CD2 4.28Å
1361Q95Very high92.3Very high28 Ų2854.9 Ų54.913%0.13128%0.283CS..Hα-helixtrans-53.6-45.2178.3-166.9-176.3-71.500111.3L1357 L1358 M1363 M1364 D1365 L1401 L1402L1357-Q1361 PolarHBondContact O-N 3.32Å; L1358-Q1361 PolarHBondContact O-N 3.33Å; Q1361-M1363 VanDerWaalsContact C-N 3.27Å; Q1361-M1363 PolarHBondContact O-N 3.27Å; Q1361-M1364 PolarHBondContact O-N 2.62Å; Q1361-M1364 VanDerWaalsContact O-N 3.12Å; Q1361-D1365 VanDerWaalsContact O-CG 3.3Å; Q1361-D1365 PolarHBondContact O-N 3.33Å; Q1361-L1401 HydrophobicContact CG-CD2 3.78Å; Q1361-L1402 HydrophobicContact CB-CD2 3.92Å
1362S93.3Very high92.2Very high48 Ų4850.8 Ų50.834%0.33626%0.264SS..Hα-helixtrans-62.1-33-178.5-59.20000113.3L1358 L1359 L1360L1358-S1362 PolarHBondContact O-N 2.73Å; L1358-S1362 VanDerWaalsContact O-N 3.09Å; L1358-S1362 PolarHBondContact O-OG 2.76Å; L1359-S1362 PolarHBondContact O-N 3.17Å; L1360-S1362 PolarHBondContact O-N 2.83Å
1363M93.5Very high91.8Very high61 Ų6144.9 Ų44.930%0.325%0.249SC..Hα-helixtrans-75.8-41.7172.9-66.6-62.6-171.400111.7L1359 L1360 Q1361 D1365 T1366 V1367 V1416 C1419 I1420L1359-M1363 PolarHBondContact O-N 2.86Å; L1360-M1363 PolarHBondContact O-N 3.13Å; L1360-M1363 VanDerWaalsContact O-N 3.08Å; Q1361-M1363 VanDerWaalsContact C-N 3.27Å; Q1361-M1363 PolarHBondContact O-N 3.27Å; M1363-D1365 PolarHBondContact O-N 2.63Å; M1363-T1366 PolarHBondContact O-N 2.88Å; M1363-T1366 PolarHBondContact O-OG1 2.88Å; M1363-V1367 WeakPolarHBondContact O-CB 3.39Å; M1363-V1367 VanDerWaalsContact O-CG2 3.29Å; M1363-V1367 WeakPolarHBondContact O-CG2 3.45Å; M1363-V1367 PolarHBondContact O-N 2.81Å; M1363-V1416 HydrophobicContact CB-CG1 3.91Å; M1363-V1416 HydrophobicContact CG-CG1 4.27Å; M1363-C1419 HydrophobicContact CE-CB 3.55Å; M1363-I1420 HydrophobicContact CG-CD1 4.3Å; M1363-I1420 HydrophobicContact CG-CG1 4.11Å
1364M92.8Very high91.6Very high0 Ų044.4 Ų44.40%025%0.246CC..Hα-helixtrans-63.4-29.3179.9-67.7-54.9-61.700112.8L1360 Q1361 T1366 V1368 L1401 A1404 Y1405 T1408L1360-M1364 HydrophobicContact CD1-CG 3.99Å; L1360-M1364 HydrophobicContact CD1-SD 4.28Å; L1360-M1364 HydrophobicContact CG-CG 4.12Å; L1360-M1364 VanDerWaalsContact O-CG 3.29Å; L1360-M1364 WeakPolarHBondContact O-CG 3.36Å; L1360-M1364 PolarHBondContact O-N 2.7Å; Q1361-M1364 PolarHBondContact O-N 2.62Å; Q1361-M1364 VanDerWaalsContact O-N 3.12Å; M1364-T1366 PolarHBondContact O-N 2.86Å; M1364-V1368 HydrophobicContact CE-CG2 3.27Å; M1364-V1368 PolarHBondContact O-N 2.92Å; M1364-L1401 HydrophobicContact CB-CD1 3.86Å; M1364-L1401 HydrophobicContact CB-CD2 4.34Å; M1364-L1401 HydrophobicContact CB-CG 3.82Å; M1364-A1404 HydrophobicContact CE-CB 4.11Å; M1364-Y1405 VanDerWaalsContact CE-N 3.31Å; M1364-Y1405 HydrophobicContact SD-CD2 3.89Å; M1364-Y1405 HydrophobicContact SD-CG 4.36Å; M1364-T1408 HydrophobicContact CE-CG2 4.12Å
1365D90.9Very high91.3Very high16 Ų1648 Ų489%0.08627%0.265CS..Hα-helixtrans-59.4-27.9173.7-72.5-55.8000113.1Q1361 M1363 H1370 K1377 L1401Q1361-D1365 VanDerWaalsContact O-CG 3.3Å; Q1361-D1365 PolarHBondContact O-N 3.33Å; M1363-D1365 PolarHBondContact O-N 2.63Å; D1365-H1370 PolarHBondContact O-NE2 3.03Å; D1365-K1377 WeakPolarHBondContact OD2-CE 3.47Å; D1365-K1377 WeakPolarHBondContact OD2-CG 3.44Å; D1365-K1377 IonicContact OD2-NZ 2.63Å; D1365-L1401 WeakPolarHBondContact OD1-CD2 3.18Å
1366T88.7Confident91.1Very high113 Ų11340.9 Ų40.969%0.69324%0.239SC*.Hα-helixtrans-105.9-32-178.751.20000114M1363 M1364M1363-T1366 PolarHBondContact O-N 2.88Å; M1363-T1366 PolarHBondContact O-OG1 2.88Å; M1364-T1366 PolarHBondContact O-N 2.86Å
1367V88.5Confident90.8Very high59 Ų5943.8 Ų43.836%0.35825%0.253SS..Hα-helixtrans-77.6-35-172.8169.20000112.4M1363 V1412 V1416M1363-V1367 WeakPolarHBondContact O-CB 3.39Å; M1363-V1367 VanDerWaalsContact O-CG2 3.29Å; M1363-V1367 WeakPolarHBondContact O-CG2 3.45Å; M1363-V1367 PolarHBondContact O-N 2.81Å; V1367-V1412 HydrophobicContact CG1-CG1 3.34Å; V1367-V1416 HydrophobicContact CG1-CG2 4.5Å; V1367-V1416 HydrophobicContact CG2-CG2 4.01Å
1368V85.7Confident90.4Very high33 Ų3345.8 Ų45.820%0.227%0.267CS..SBendtrans-89.3130.9-178.3174.40000110M1364 H1370 T1408M1364-V1368 HydrophobicContact CE-CG2 3.27Å; M1364-V1368 PolarHBondContact O-N 2.92Å; V1368-H1370 PolarHBondContact O-CD2 2.93Å; V1368-H1370 PolarHBondContact O-CE1 3.2Å; V1368-H1370 VanDerWaalsContact O-CE1 3.29Å; V1368-H1370 PolarHBondContact O-N 2.85Å; V1368-H1370 PolarHBondContact O-NE2 3.48Å; V1368-H1370 VanDerWaalsContact O-NE2 3.13Å; V1368-T1408 HydrophobicContact CG2-CG2 4.11Å
1369P83.8Confident90Very high120 Ų12043.4 Ų43.478%0.77926%0.255SS*.PPolyproline II helixtrans-67.6129.6172.327.8-33.3000110.4
1370H89.1Confident89.8Confident32 Ų3240.8 Ų40.815%0.14824%0.239CC..PPolyproline II helixtrans-102.2121.6179.7-55.1-57.7000110.7F76 D1365 V1368 G1373 L1374 P1376F76-H1370 HydrophobicContact CD2-CB 4.31Å; F76-H1370 AromaticContact CD2-ND1 3.59Å; F76-H1370 AromaticContact CE2-CE1 3.95Å; F76-H1370 AromaticContact CE2-ND1 3.25Å; F76-H1370 VanDerWaalsContact CE2-ND1 3.25Å; F76-H1370 WeakPolarHBondContact CE2-ND1 3.42Å; D1365-H1370 PolarHBondContact O-NE2 3.03Å; V1368-H1370 PolarHBondContact O-CD2 2.93Å; V1368-H1370 PolarHBondContact O-CE1 3.2Å; V1368-H1370 VanDerWaalsContact O-CE1 3.29Å; V1368-H1370 PolarHBondContact O-N 2.85Å; V1368-H1370 PolarHBondContact O-NE2 3.48Å; V1368-H1370 VanDerWaalsContact O-NE2 3.13Å; H1370-G1373 WeakPolarHBondContact O-CA 3.49Å; H1370-G1373 PolarHBondContact O-N 2.92Å; H1370-L1374 VanDerWaalsContact CB-O 3.3Å; H1370-L1374 WeakPolarHBondContact CB-O 3.34Å; H1370-P1376 WeakPolarHBondContact CE1-CG 3.32Å; H1370-P1376 WeakPolarHBondContact NE2-CG 3.28Å
1371V87.6Confident89.5Confident20 Ų2045.1 Ų45.112%0.12126%0.262CS..G310 helixtrans-58.4140.9177-176.40000110.3E73 I75 I107 F116 G1373E73-V1371 WeakPolarHBondContact OE2-CG2 3.39Å; I75-V1371 HydrophobicContact CD1-CG1 4.31Å; I75-V1371 HydrophobicContact CG1-CB 4.26Å; I75-V1371 HydrophobicContact CG1-CG1 4.1Å; I107-V1371 HydrophobicContact CG2-CG1 4.29Å; F116-V1371 HydrophobicContact CB-CG1 3.94Å; V1371-G1373 PolarHBondContact O-N 2.92Å; V1371-G1373 VanDerWaalsContact O-N 3.12Å
1372A89Confident89.2Confident0 Ų045.5 Ų45.50%027%0.266CS..G310 helixtrans59.89.4-171.600000115.1F99 I107 T118 L1374F99-A1372 HydrophobicContact CE2-CB 3.87Å; F99-A1372 HydrophobicContact CZ-CB 3.78Å; I107-A1372 HydrophobicContact CG2-CB 4Å; T118-A1372 VanDerWaalsContact OG1-CA 3.29Å; T118-A1372 WeakPolarHBondContact OG1-CA 3.27Å; T118-A1372 PolarHBondContact OG1-N 3.1Å; A1372-L1374 HydrophobicContact CB-CG 4.27Å; A1372-L1374 PolarHBondContact O-N 3.11Å
1373G85.1Confident88.7Confident38 Ų3846.6 Ų46.639%0.39226%0.262SS..G310 helixtrans7016.2176.400000114.2T118 H1370 V1371T118-G1373 PolarHBondContact OG1-N 3.46Å; T118-G1373 VanDerWaalsContact OG1-N 3.13Å; H1370-G1373 WeakPolarHBondContact O-CA 3.49Å; H1370-G1373 PolarHBondContact O-N 2.92Å; V1371-G1373 PolarHBondContact O-N 2.92Å; V1371-G1373 VanDerWaalsContact O-N 3.12Å
1374L89.2Confident87.9Confident12 Ų1246.4 Ų46.46%0.06326%0.263CS..  trans-75139.1-177.5-62.5179.4000111.7I75 F76 F99 K103 H1370 A1372 P1376I75-L1374 HydrophobicContact CG2-CD1 3.7Å; F76-L1374 HydrophobicContact CB-CB 4.16Å; F76-L1374 WeakPolarHBondContact O-CD1 3.36Å; F99-L1374 HydrophobicContact CD1-CD1 3.78Å; F99-L1374 HydrophobicContact CD2-CD1 4.26Å; F99-L1374 HydrophobicContact CD2-CD2 4.22Å; F99-L1374 HydrophobicContact CE1-CD1 3.54Å; F99-L1374 HydrophobicContact CE2-CD1 4.04Å; F99-L1374 HydrophobicContact CE2-CD2 4.37Å; F99-L1374 HydrophobicContact CE2-CG 4.45Å; F99-L1374 HydrophobicContact CG-CD1 4.14Å; F99-L1374 HydrophobicContact CG-CD2 4.49Å; F99-L1374 HydrophobicContact CZ-CD1 3.68Å; F99-L1374 HydrophobicContact CZ-CG 4.46Å; K103-L1374 HydrophobicContact CD-CD2 4.39Å; H1370-L1374 VanDerWaalsContact CB-O 3.3Å; H1370-L1374 WeakPolarHBondContact CB-O 3.34Å; A1372-L1374 HydrophobicContact CB-CG 4.27Å; A1372-L1374 PolarHBondContact O-N 3.11Å; L1374-P1376 WeakPolarHBondContact O-CD 3.26Å
1375N89.7Confident86.8Confident86 Ų8651.6 Ų51.646%0.4628%0.282SS..  trans-83.7118.4178.7-178.1-19.9000111K1377 S1378 C1379N1375-K1377 VanDerWaalsContact C-N 3.27Å; N1375-K1377 PolarHBondContact O-N 3.19Å; N1375-K1377 WeakPolarHBondContact OD1-CB 3.3Å; N1375-K1377 PolarHBondContact OD1-N 2.92Å; N1375-S1378 PolarHBondContact O-N 2.87Å; N1375-S1378 VanDerWaalsContact O-N 3.14Å; N1375-C1379 PolarHBondContact O-N 2.91Å
1376P90.1Very high85.7Confident2 Ų257.7 Ų57.71%0.01330%0.304CS..Hα-helixtrans-59.1-34.9179.3-21.130.2000113.6F76 H1370 L1374 C1379 R1380 L1401F76-P1376 HydrophobicContact CD1-CB 3.71Å; F76-P1376 HydrophobicContact CD1-CG 4.13Å; F76-P1376 HydrophobicContact CD2-CB 4.3Å; F76-P1376 HydrophobicContact CD2-CG 3.79Å; F76-P1376 HydrophobicContact CE1-CB 3.79Å; F76-P1376 HydrophobicContact CE1-CG 4.18Å; F76-P1376 HydrophobicContact CE2-CB 4.37Å; F76-P1376 HydrophobicContact CE2-CG 3.84Å; F76-P1376 HydrophobicContact CG-CB 3.97Å; F76-P1376 HydrophobicContact CG-CG 3.93Å; F76-P1376 HydrophobicContact CZ-CB 4.12Å; F76-P1376 HydrophobicContact CZ-CG 4.03Å; H1370-P1376 WeakPolarHBondContact CE1-CG 3.32Å; H1370-P1376 WeakPolarHBondContact NE2-CG 3.28Å; L1374-P1376 WeakPolarHBondContact O-CD 3.26Å; P1376-C1379 WeakPolarHBondContact O-CB 3.29Å; P1376-C1379 PolarHBondContact O-N 3.25Å; P1376-R1380 WeakPolarHBondContact O-CG 3.08Å; P1376-R1380 PolarHBondContact O-N 2.76Å; P1376-L1401 HydrophobicContact CB-CD2 4.07Å
1377K90Very high84.6Confident100 Ų10059.5 Ų59.544%0.43530%0.302SS..Hα-helixtrans-63.7-48.1176.2-62.4-175.3-175.4174.70110.9D1365 N1375 C1379 R1380 L1381D1365-K1377 WeakPolarHBondContact OD2-CE 3.47Å; D1365-K1377 WeakPolarHBondContact OD2-CG 3.44Å; D1365-K1377 IonicContact OD2-NZ 2.63Å; N1375-K1377 VanDerWaalsContact C-N 3.27Å; N1375-K1377 PolarHBondContact O-N 3.19Å; N1375-K1377 WeakPolarHBondContact OD1-CB 3.3Å; N1375-K1377 PolarHBondContact OD1-N 2.92Å; K1377-C1379 VanDerWaalsContact C-N 3.28Å; K1377-C1379 PolarHBondContact O-N 3.16Å; K1377-R1380 PolarHBondContact O-N 3.41Å; K1377-R1380 VanDerWaalsContact O-N 3.12Å; K1377-L1381 PolarHBondContact O-N 3.13Å
1378S87.2Confident83.5Confident42 Ų4259.4 Ų59.429%0.29430%0.303SS..Hα-helixtrans-61.7-38.9179.5176.70000111.3N1375 R1380 L1381N1375-S1378 PolarHBondContact O-N 2.87Å; N1375-S1378 VanDerWaalsContact O-N 3.14Å; S1378-R1380 PolarHBondContact O-N 3.01Å; S1378-L1381 PolarHBondContact O-N 3.42Å
1379C88.6Confident82.7Confident11 Ų1166.9 Ų66.97%0.07434%0.341CS..Hα-helixtrans-60.4-27.4176.1-170.40000113.6F76 H1302 N1375 P1376 K1377F76-C1379 HydrophobicContact CB-CB 4.21Å; F76-C1379 WeakPolarHBondContact O-CB 3.35Å; F76-C1379 PolarHBondContact O-SG 2.82Å; H1302-C1379 PolarHBondContact CD2-O 2.8Å; N1375-C1379 PolarHBondContact O-N 2.91Å; P1376-C1379 WeakPolarHBondContact O-CB 3.29Å; P1376-C1379 PolarHBondContact O-N 3.25Å; K1377-C1379 VanDerWaalsContact C-N 3.28Å; K1377-C1379 PolarHBondContact O-N 3.16Å
1380R92.6Very high82.2Confident36 Ų3663.8 Ų63.814%0.13631%0.314CS..Hα-helixtrans-103.8-0.1-176.5-60.4-56.1-173.9-127.95.8114.3M1301 H1302 V1303 P1376 K1377 S1378M1301-R1380 HydrophobicContact CE-CB 4.11Å; M1301-R1380 HydrophobicContact CE-CG 3.71Å; M1301-R1380 HydrophobicContact CG-CB 4.25Å; H1302-R1380 PolarHBondContact N-O 2.92Å; H1302-R1380 WeakPolarHBondContact O-CD 3.29Å; V1303-R1380 PolarHBondContact O-NH1 2.86Å; P1376-R1380 WeakPolarHBondContact O-CG 3.08Å; P1376-R1380 PolarHBondContact O-N 2.76Å; K1377-R1380 PolarHBondContact O-N 3.41Å; K1377-R1380 VanDerWaalsContact O-N 3.12Å; S1378-R1380 PolarHBondContact O-N 3.01Å
1381L89.2Confident81.7Confident91 Ų9168.9 Ų68.948%0.47634%0.342SS..SBendtrans-66.9138.9172.1-72.1174.4000110.5H1302 K1377 S1378H1302-L1381 WeakPolarHBondContact CB-O 3.29Å; K1377-L1381 PolarHBondContact O-N 3.13Å; S1378-L1381 PolarHBondContact O-N 3.42Å
1382V88.9Confident81.4Confident36 Ų3670.1 Ų70.122%0.21836%0.355CS..  trans-53.7137.1175.8178.60000110.8N1276 F1278 D1300N1276-V1382 HydrophobicContact CB-CG1 4.46Å; F1278-V1382 HydrophobicContact CE1-CG1 3.91Å; F1278-V1382 HydrophobicContact CE1-CG2 4.43Å; F1278-V1382 HydrophobicContact CZ-CG1 3.94Å; D1300-V1382 HydrophobicContact CB-CG2 3.44Å; D1300-V1382 VanDerWaalsContact CB-CG2 3.44Å; D1300-V1382 VanDerWaalsContact CG-CG2 3.44Å
1383R82.3Confident81.1Confident70 Ų7073 Ų7326%0.26437%0.368SS..  trans-114105.9177.2-64.7-179.7175.5-122.6-6.6110D101 N1274 N1276D101-R1383 IonicContact OD1-NH1 3.67Å; D101-R1383 IonicContact OD2-CZ 3.4Å; D101-R1383 VanDerWaalsContact OD2-CZ 3.27Å; D101-R1383 IonicContact OD2-NH1 3.47Å; D101-R1383 PolarHBondContact OD2-NH1 3.1Å; D101-R1383 IonicContact OD2-NH2 3.34Å; D101-R1383 PolarHBondContact OD2-NH2 3.34Å; D101-R1383 VanDerWaalsContact OD2-NH2 3.11Å; N1274-R1383 WeakPolarHBondContact CB-O 3.21Å; N1276-R1383 PolarHBondContact ND2-O 2.74Å; N1276-R1383 PolarHBondContact OD1-N 3.31Å
1384D77.1Confident81.1Confident57 Ų5777.9 Ų77.931%0.30538%0.378SS..  trans-109.5138.8175.3-164.2-17000109R1386D1384-R1386 VanDerWaalsContact C-N 3.25Å; D1384-R1386 VanDerWaalsContact CB-O 3.32Å; D1384-R1386 WeakPolarHBondContact CB-O 3.31Å; D1384-R1386 PolarHBondContact OD1-N 3.23Å
1385R69.1Low81.3Confident109 Ų10979.2 Ų79.241%0.41139%0.386SS..SBendtrans-67.3-34.1172.8-68.5-174.4-174.4-169.8-0.9110.4E134 N1274E134-R1385 VanDerWaalsContact CD-O 3.23Å; N1274-R1385 PolarHBondContact OD1-NE 3.37Å
1386R68.9Low81.6Confident145 Ų14575.9 Ų75.955%0.54737%0.368SS..SBendtrans-91.9136.3177-58.2179.4-174.11776.3108.1S1251 D1384 P1388S1251-R1386 PolarHBondContact OG-NH1 3.21Å; S1251-R1386 VanDerWaalsContact OG-NH1 3.09Å; D1384-R1386 VanDerWaalsContact C-N 3.25Å; D1384-R1386 VanDerWaalsContact CB-O 3.32Å; D1384-R1386 WeakPolarHBondContact CB-O 3.31Å; D1384-R1386 PolarHBondContact OD1-N 3.23Å; R1386-P1388 WeakPolarHBondContact O-CD 3.28Å; R1386-P1388 VanDerWaalsContact O-N 3.14Å
1387K64.8Low81.9Confident151 Ų15175.8 Ų75.866%0.65737%0.367SS*.  trans-67.8108.1170.3-73.4-174177-179.30109.5E127E127-K1387 IonicContact OE2-NZ 2.64Å; E127-K1387 PolarHBondContact OE2-NZ 2.94Å
1388P64.8Low82.2Confident56 Ų5671.2 Ų71.236%0.36435%0.348SS..  trans-76144.7179.828.4-25.5000110.9R1386 Y1390R1386-P1388 WeakPolarHBondContact O-CD 3.28Å; R1386-P1388 VanDerWaalsContact O-N 3.14Å; P1388-Y1390 HydrophobicContact CB-CD1 3.5Å; P1388-Y1390 VanDerWaalsContact CB-CD1 3.5Å; P1388-Y1390 HydrophobicContact CB-CD2 4.09Å; P1388-Y1390 HydrophobicContact CB-CE1 3.09Å; P1388-Y1390 HydrophobicContact CB-CE2 3.72Å; P1388-Y1390 HydrophobicContact CB-CG 3.95Å; P1388-Y1390 HydrophobicContact CG-CD2 4.41Å; P1388-Y1390 HydrophobicContact CG-CE1 4.14Å; P1388-Y1390 HydrophobicContact CG-CE2 3.9Å; P1388-Y1390 PolarHBondContact O-N 3.01Å; P1388-Y1390 VanDerWaalsContact O-N 3.15Å
1389L69.3Low82.5Confident191 Ų19169.2 Ų69.2100%133%0.334SS*.SBendtrans-8228.9171.4-67.4171000112.4
1390Y73.8Confident82.7Confident55 Ų5570.8 Ų70.822%0.21634%0.341CS..SBendtrans-133.7153.5-179.960.4-104000111.8H1250 R1297 P1388H1250-Y1390 AromaticContact CD2-CD1 3.71Å; H1250-Y1390 AromaticContact CD2-CE1 3.54Å; H1250-Y1390 AromaticContact NE2-CD1 3.6Å; H1250-Y1390 AromaticContact NE2-CE1 3.92Å; R1297-Y1390 PolarHBondContact NH1-OH 3.38Å; P1388-Y1390 HydrophobicContact CB-CD1 3.5Å; P1388-Y1390 VanDerWaalsContact CB-CD1 3.5Å; P1388-Y1390 HydrophobicContact CB-CD2 4.09Å; P1388-Y1390 HydrophobicContact CB-CE1 3.09Å; P1388-Y1390 HydrophobicContact CB-CE2 3.72Å; P1388-Y1390 HydrophobicContact CB-CG 3.95Å; P1388-Y1390 HydrophobicContact CG-CD2 4.41Å; P1388-Y1390 HydrophobicContact CG-CE1 4.14Å; P1388-Y1390 HydrophobicContact CG-CE2 3.9Å; P1388-Y1390 PolarHBondContact O-N 3.01Å; P1388-Y1390 VanDerWaalsContact O-N 3.15Å
1391N79.5Confident82.7Confident138 Ų13869.1 Ų69.174%0.73834%0.335SS*.  trans-80.9144.9175.6-66.6-37.6000110.8Q1393N1391-Q1393 PolarHBondContact O-N 2.88Å; N1391-Q1393 PolarHBondContact O-NE2 2.85Å
1392A80Confident83Confident47 Ų4764.8 Ų64.839%0.38831%0.312SS..  trans-55.9131.8169.500000110.7D1300D1300-A1392 WeakPolarHBondContact OD2-CA 3.49Å
1393Q82.4Confident83.1Confident60 Ų6063.3 Ų63.328%0.2830%0.303SS..  trans-85.2-15.1-173.8-63.2-63-4800113.1R1297 D1300 N1391 N1395R1297-Q1393 HydrophobicContact CB-CG 4.38Å; R1297-Q1393 HydrophobicContact CG-CG 4.09Å; D1300-Q1393 VanDerWaalsContact CG-N 3.33Å; D1300-Q1393 PolarHBondContact OD1-N 3.46Å; D1300-Q1393 VanDerWaalsContact OD1-N 3.09Å; D1300-Q1393 PolarHBondContact OD2-N 2.7Å; N1391-Q1393 PolarHBondContact O-N 2.88Å; N1391-Q1393 PolarHBondContact O-NE2 2.85Å; Q1393-N1395 PolarHBondContact O-ND2 3.42Å; Q1393-N1395 VanDerWaalsContact O-ND2 3.13Å
1394K85.6Confident83.6Confident140 Ų14060.8 Ų60.861%0.60930%0.297SS*.  trans56.6-137.9178.5-59.1-178.3-179.8177.20111A1299 D1300 I1396A1299-K1394 CarbonylContact C-O 3.56Å; A1299-K1394 WeakPolarHBondContact CA-O 3.48Å; A1299-K1394 WeakPolarHBondContact CB-O 3.5Å; D1300-K1394 PolarHBondContact N-O 3.4Å; D1300-K1394 PolarHBondContact OD1-N 3.2Å; K1394-I1396 VanDerWaalsContact C-N 3.31Å; K1394-I1396 PolarHBondContact O-N 3.5Å
1395N93.8Very high84.3Confident41 Ų4158.2 Ų58.222%0.21928%0.283CS..  trans70.24.8176.6-55.9-36.6000118.8Y2 S3 R1298 A1299 Y1354 Q1393Y2-N1395 HydrophobicContact CD1-CB 4.06Å; Y2-N1395 HydrophobicContact CE1-CB 4.47Å; S3-N1395 PolarHBondContact N-O 3.24Å; S3-N1395 VanDerWaalsContact N-O 3.07Å; R1298-N1395 PolarHBondContact O-ND2 3.43Å; A1299-N1395 HydrophobicContact CB-CB 3.73Å; Y1354-N1395 WeakPolarHBondContact OH-CA 3.35Å; Q1393-N1395 PolarHBondContact O-ND2 3.42Å; Q1393-N1395 VanDerWaalsContact O-ND2 3.13Å
1396I96.3Very high85.2Confident15 Ų1553.6 Ų53.68%0.07727%0.267CS..EExtended strand (participates in β ladder)trans-112.3124.1165.5-53.3168.9000108.2S3 V1279 A1299 M1301 F1346 K1394S3-I1396 WeakPolarHBondContact O-CA 3.45Å; V1279-I1396 HydrophobicContact CG2-CD1 4.27Å; A1299-I1396 HydrophobicContact CB-CD1 4.11Å; A1299-I1396 HydrophobicContact CB-CG1 3.69Å; M1301-I1396 HydrophobicContact CB-CB 4.02Å; M1301-I1396 HydrophobicContact CB-CD1 3.71Å; M1301-I1396 HydrophobicContact CB-CG1 4.4Å; M1301-I1396 HydrophobicContact CB-CG2 4.28Å; M1301-I1396 HydrophobicContact SD-CB 3.9Å; M1301-I1396 HydrophobicContact SD-CG2 3.38Å; M1301-I1396 WeakPolarHBondContact SD-CG2 3.03Å; F1346-I1396 HydrophobicContact CE2-CD1 3.87Å; F1346-I1396 HydrophobicContact CE2-CG1 4.09Å; F1346-I1396 HydrophobicContact CE2-CG2 3.98Å; F1346-I1396 HydrophobicContact CZ-CD1 4.39Å; F1346-I1396 HydrophobicContact CZ-CG1 4.46Å; K1394-I1396 VanDerWaalsContact C-N 3.31Å; K1394-I1396 PolarHBondContact O-N 3.5Å
1397L96.6Very high86.2Confident1 Ų147.4 Ų47.41%0.00525%0.246CC..EExtended strand (participates in β ladder)trans-85.1147.4175.8-60.2177.5000111.5S3 V4 Y5 L1349 Y1354 L1357 L1358 G1399 L1402S3-L1397 PolarHBondContact O-N 3.03Å; V4-L1397 HydrophobicContact CB-CB 4.29Å; V4-L1397 HydrophobicContact CG2-CB 4.17Å; Y5-L1397 PolarHBondContact N-O 3.1Å; L1349-L1397 HydrophobicContact CD1-CD1 3.96Å; Y1354-L1397 HydrophobicContact CD2-CD1 3.68Å; Y1354-L1397 HydrophobicContact CD2-CD2 4.05Å; Y1354-L1397 HydrophobicContact CD2-CG 3.63Å; Y1354-L1397 HydrophobicContact CE2-CD1 4.04Å; Y1354-L1397 HydrophobicContact CE2-CD2 3.54Å; Y1354-L1397 HydrophobicContact CE2-CG 3.49Å; Y1354-L1397 VanDerWaalsContact CE2-CG 3.49Å; Y1354-L1397 HydrophobicContact CG-CD1 4.48Å; L1357-L1397 HydrophobicContact CB-CD1 3.46Å; L1357-L1397 VanDerWaalsContact CB-CD1 3.46Å; L1357-L1397 HydrophobicContact CD1-CD1 4.37Å; L1358-L1397 HydrophobicContact CB-CD2 3.99Å; L1358-L1397 HydrophobicContact CD1-CD2 3.78Å; L1397-G1399 PolarHBondContact O-N 2.84Å; L1397-L1402 HydrophobicContact CB-CD1 3.94Å; L1397-L1402 HydrophobicContact CD1-CD1 4.1Å
1398N94.7Very high87.3Confident4 Ų440.8 Ų40.82%0.02122%0.218CC..EExtended strand (participates in β ladder)trans-85.495.7173.1-176.10.6000110.4M1301 N1400 L1401 L1402M1301-N1398 HydrophobicContact CE-CB 4.07Å; N1398-N1400 VanDerWaalsContact C-N 3.32Å; N1398-N1400 PolarHBondContact O-N 3.29Å; N1398-N1400 PolarHBondContact OD1-N 2.89Å; N1398-L1401 HydrophobicContact CB-CB 4.25Å; N1398-L1401 PolarHBondContact O-N 2.76Å; N1398-L1402 WeakPolarHBondContact O-CG 3.4Å; N1398-L1402 PolarHBondContact O-N 2.82Å; N1398-L1402 VanDerWaalsContact O-N 3.1Å
1399G94.3Very high88.5Confident0 Ų039.6 Ų39.60%021%0.208CC..Hα-helixtrans-54.5-42.718000000113.3Y5 L1397 L1401 L1402 F1403Y5-G1399 VanDerWaalsContact O-CA 3.3Å; Y5-G1399 WeakPolarHBondContact O-CA 3.35Å; Y5-G1399 PolarHBondContact O-N 3.04Å; L1397-G1399 PolarHBondContact O-N 2.84Å; G1399-L1401 VanDerWaalsContact C-N 3.29Å; G1399-L1401 PolarHBondContact O-N 3.2Å; G1399-L1402 WeakPolarHBondContact O-CB 3.37Å; G1399-L1402 PolarHBondContact O-N 3.32Å; G1399-L1402 VanDerWaalsContact O-N 3.13Å; G1399-F1403 VanDerWaalsContact O-CD2 3.26Å; G1399-F1403 WeakPolarHBondContact O-CD2 3.42Å; G1399-F1403 PolarHBondContact O-N 2.81Å
1400N92Very high89.4Confident43 Ų4331.6 Ų31.623%0.2317%0.168CC..Hα-helixtrans-59.7-42.5-178.7-62.34.8000111.7Q7 N1398 F1403 A1404Q7-N1400 VanDerWaalsContact CB-ND2 3.32Å; Q7-N1400 WeakPolarHBondContact CB-ND2 3.35Å; Q7-N1400 PolarHBondContact N-OD1 3.44Å; N1398-N1400 VanDerWaalsContact C-N 3.32Å; N1398-N1400 PolarHBondContact O-N 3.29Å; N1398-N1400 PolarHBondContact OD1-N 2.89Å; N1400-F1403 PolarHBondContact O-N 3.25Å; N1400-A1404 PolarHBondContact O-N 2.92Å; N1400-A1404 VanDerWaalsContact O-N 3.08Å
1401L93.1Very high90Very high2 Ų232.4 Ų32.41%0.0117%0.173CC..Hα-helixtrans-68.8-38.2177.4-178.162.9000111.9F76 Q1361 M1364 D1365 P1376 N1398 G1399 A1404F76-L1401 HydrophobicContact CZ-CD1 4.15Å; Q1361-L1401 HydrophobicContact CG-CD2 3.78Å; M1364-L1401 HydrophobicContact CB-CD1 3.86Å; M1364-L1401 HydrophobicContact CB-CD2 4.34Å; M1364-L1401 HydrophobicContact CB-CG 3.82Å; D1365-L1401 WeakPolarHBondContact OD1-CD2 3.18Å; P1376-L1401 HydrophobicContact CB-CD2 4.07Å; N1398-L1401 HydrophobicContact CB-CB 4.25Å; N1398-L1401 PolarHBondContact O-N 2.76Å; G1399-L1401 VanDerWaalsContact C-N 3.29Å; G1399-L1401 PolarHBondContact O-N 3.2Å; L1401-A1404 WeakPolarHBondContact O-CB 3.12Å; L1401-A1404 PolarHBondContact O-N 3.42Å
1402L94.9Very high90.5Very high0 Ų027.7 Ų27.70%015%0.149CC..Hα-helixtrans-62-43.3174.1-66.9175.3000111.8V4 L1357 L1360 Q1361 L1397 N1398 G1399 A1404 Y1405 L1431V4-L1402 HydrophobicContact CG2-CD1 4.24Å; L1357-L1402 HydrophobicContact CB-CD1 4.18Å; L1357-L1402 HydrophobicContact CB-CD2 4.2Å; L1357-L1402 HydrophobicContact CD1-CD1 4.27Å; L1357-L1402 VanDerWaalsContact O-CD2 3.27Å; L1357-L1402 WeakPolarHBondContact O-CD2 3.46Å; L1360-L1402 HydrophobicContact CB-CD2 4.2Å; L1360-L1402 HydrophobicContact CD2-CD2 4.06Å; L1360-L1402 HydrophobicContact CG-CD2 4.11Å; Q1361-L1402 HydrophobicContact CB-CD2 3.92Å; L1397-L1402 HydrophobicContact CB-CD1 3.94Å; L1397-L1402 HydrophobicContact CD1-CD1 4.1Å; N1398-L1402 WeakPolarHBondContact O-CG 3.4Å; N1398-L1402 PolarHBondContact O-N 2.82Å; N1398-L1402 VanDerWaalsContact O-N 3.1Å; G1399-L1402 WeakPolarHBondContact O-CB 3.37Å; G1399-L1402 PolarHBondContact O-N 3.32Å; G1399-L1402 VanDerWaalsContact O-N 3.13Å; L1402-A1404 VanDerWaalsContact C-N 3.32Å; L1402-A1404 PolarHBondContact O-N 3.2Å; L1402-Y1405 WeakPolarHBondContact O-CB 3.34Å; L1402-Y1405 PolarHBondContact O-N 2.99Å; L1402-L1431 HydrophobicContact CB-CD2 4.02Å
1403F92.7Very high91Very high4 Ų426.1 Ų26.12%0.01813%0.133CC..Hα-helixtrans-70.8-27.4-179.7-87.3-82.9000112.3R6 M913 G1399 N1400 Y1405 L1406 L1431 L1434 Q1435R6-F1403 VanDerWaalsContact NH1-CE2 3.31Å; M913-F1403 HydrophobicContact CB-CD1 4.19Å; M913-F1403 HydrophobicContact CE-CB 4.19Å; M913-F1403 HydrophobicContact CG-CB 4.26Å; M913-F1403 VanDerWaalsContact SD-C 3.56Å; M913-F1403 HydrophobicContact SD-CB 3.66Å; M913-F1403 HydrophobicContact SD-CD1 4.45Å; G1399-F1403 VanDerWaalsContact O-CD2 3.26Å; G1399-F1403 WeakPolarHBondContact O-CD2 3.42Å; G1399-F1403 PolarHBondContact O-N 2.81Å; N1400-F1403 PolarHBondContact O-N 3.25Å; F1403-Y1405 PolarHBondContact O-N 2.92Å; F1403-L1406 HydrophobicContact CD1-CD1 3.83Å; F1403-L1406 HydrophobicContact CE1-CD1 4.31Å; F1403-L1406 WeakPolarHBondContact O-CB 3.38Å; F1403-L1406 PolarHBondContact O-N 2.68Å; F1403-L1431 HydrophobicContact CE1-CB 4.16Å; F1403-L1431 HydrophobicContact CE2-CD2 4.37Å; F1403-L1431 HydrophobicContact CZ-CB 4.37Å; F1403-L1431 HydrophobicContact CZ-CD2 4.45Å; F1403-L1431 VanDerWaalsContact CZ-O 3.32Å; F1403-L1431 WeakPolarHBondContact CZ-O 3.49Å; F1403-L1434 HydrophobicContact CE2-CB 4.43Å; F1403-L1434 HydrophobicContact CZ-CB 4.21Å; F1403-Q1435 HydrophobicContact CE1-CB 4.18Å; F1403-Q1435 HydrophobicContact CZ-CB 4.09Å
1404A91.2Very high91.4Very high18 Ų1827 Ų2715%0.14914%0.136CC..G310 helixtrans-57.5-20171.400000113.6M1364 N1400 L1401 L1402 L1406 S1407M1364-A1404 HydrophobicContact CE-CB 4.11Å; N1400-A1404 PolarHBondContact O-N 2.92Å; N1400-A1404 VanDerWaalsContact O-N 3.08Å; L1401-A1404 WeakPolarHBondContact O-CB 3.12Å; L1401-A1404 PolarHBondContact O-N 3.42Å; L1402-A1404 VanDerWaalsContact C-N 3.32Å; L1402-A1404 PolarHBondContact O-N 3.2Å; A1404-L1406 PolarHBondContact O-N 2.88Å; A1404-S1407 PolarHBondContact O-N 2.81Å; A1404-S1407 VanDerWaalsContact O-N 3.17Å; A1404-S1407 PolarHBondContact O-OG 3.16Å
1405Y92.5Very high91.8Very high2 Ų226.2 Ų26.21%0.00814%0.135CC..G310 helixtrans-56.9-37.1170.7175-107.8000112L1360 M1364 L1402 F1403 S1407 T1408 R1413 V1416 L1427 L1431L1360-Y1405 HydrophobicContact CD1-CD2 3.7Å; L1360-Y1405 HydrophobicContact CD1-CE2 4.05Å; L1360-Y1405 HydrophobicContact CD1-CG 4.05Å; L1360-Y1405 HydrophobicContact CD2-CD1 4.46Å; L1360-Y1405 HydrophobicContact CD2-CG 4.29Å; M1364-Y1405 VanDerWaalsContact CE-N 3.31Å; M1364-Y1405 HydrophobicContact SD-CD2 3.89Å; M1364-Y1405 HydrophobicContact SD-CG 4.36Å; L1402-Y1405 WeakPolarHBondContact O-CB 3.34Å; L1402-Y1405 PolarHBondContact O-N 2.99Å; F1403-Y1405 PolarHBondContact O-N 2.92Å; Y1405-S1407 PolarHBondContact O-N 2.85Å; Y1405-T1408 PolarHBondContact O-N 2.92Å; Y1405-T1408 VanDerWaalsContact O-N 3.15Å; Y1405-T1408 PolarHBondContact O-OG1 3.04Å; Y1405-R1413 HydrophobicContact CD2-CG 4.14Å; Y1405-R1413 HydrophobicContact CE1-CG 4.27Å; Y1405-R1413 HydrophobicContact CE2-CB 3.9Å; Y1405-R1413 HydrophobicContact CE2-CG 3.67Å; Y1405-R1413 PolarHBondContact OH-O 3.36Å; Y1405-R1413 VanDerWaalsContact OH-O 3.06Å; Y1405-V1416 HydrophobicContact CD2-CG1 4.42Å; Y1405-V1416 HydrophobicContact CE2-CB 4.24Å; Y1405-V1416 HydrophobicContact CE2-CG1 4.05Å; Y1405-L1427 HydrophobicContact CE1-CB 4.05Å; Y1405-L1427 HydrophobicContact CE1-CD1 4.24Å; Y1405-L1427 HydrophobicContact CE2-CD1 4.43Å; Y1405-L1431 HydrophobicContact CD1-CD1 3.95Å
1406L89Confident91.8Very high12 Ų1224.6 Ų24.66%0.06313%0.126CC..G310 helixtrans-64.9-30.4180-58.7-175.4000112.4R909 V915 F1403 A1404 T1408 F1428 L1431R909-L1406 PolarHBondContact NH2-O 3.34Å; R909-L1406 VanDerWaalsContact NH2-O 3.08Å; V915-L1406 HydrophobicContact CG2-CD1 4.18Å; F1403-L1406 HydrophobicContact CD1-CD1 3.83Å; F1403-L1406 HydrophobicContact CE1-CD1 4.31Å; F1403-L1406 WeakPolarHBondContact O-CB 3.38Å; F1403-L1406 PolarHBondContact O-N 2.68Å; A1404-L1406 PolarHBondContact O-N 2.88Å; L1406-T1408 VanDerWaalsContact C-N 3.34Å; L1406-F1428 HydrophobicContact CD2-CD2 3.49Å; L1406-F1428 VanDerWaalsContact CD2-CD2 3.49Å; L1406-F1428 HydrophobicContact CD2-CE2 3.59Å; L1406-L1431 HydrophobicContact CD2-CD1 3.73Å; L1406-L1431 HydrophobicContact CG-CD1 4Å
1407S88.1Confident91.6Very high16 Ų1623.9 Ų23.911%0.11212%0.122CC..G310 helixtrans-81-7.3177.244.10000114.3Q837 R909 A1404 Y1405Q837-S1407 PolarHBondContact NE2-O 2.84Å; R909-S1407 PolarHBondContact NH1-O 2.96Å; R909-S1407 PolarHBondContact NH2-O 3.09Å; A1404-S1407 PolarHBondContact O-N 2.81Å; A1404-S1407 VanDerWaalsContact O-N 3.17Å; A1404-S1407 PolarHBondContact O-OG 3.16Å; Y1405-S1407 PolarHBondContact O-N 2.85Å
1408T89.7Confident91.5Very high12 Ų1229.5 Ų29.57%0.07415%0.153CC..SBendtrans-80.7163.3179.7630000113.5R909 M1364 V1368 Y1405 L1406 R1413R909-T1408 PolarHBondContact NH1-O 3.48Å; R909-T1408 PolarHBondContact NH2-O 3.19Å; M1364-T1408 HydrophobicContact CE-CG2 4.12Å; V1368-T1408 HydrophobicContact CG2-CG2 4.11Å; Y1405-T1408 PolarHBondContact O-N 2.92Å; Y1405-T1408 VanDerWaalsContact O-N 3.15Å; Y1405-T1408 PolarHBondContact O-OG1 3.04Å; L1406-T1408 VanDerWaalsContact C-N 3.34Å; T1408-R1413 PolarHBondContact O-NE 3.44Å; T1408-R1413 VanDerWaalsContact O-NE 3.07Å; T1408-R1413 WeakPolarHBondContact OG1-CG 3.4Å
1409D88.8Confident91.4Very high30 Ų3033.1 Ų33.116%0.1618%0.177CC..  trans-64152.6-178.6-60.70.6000111.3Q837 R909 H1411 V1412 R1413Q837-D1409 WeakPolarHBondContact CG-OD1 3.3Å; Q837-D1409 PolarHBondContact N-OD1 2.87Å; Q837-D1409 VanDerWaalsContact N-OD1 3.1Å; Q837-D1409 PolarHBondContact NE2-OD1 3.42Å; R909-D1409 IonicContact NH1-OD1 2.74Å; D1409-H1411 VanDerWaalsContact C-N 3.3Å; D1409-H1411 PolarHBondContact O-N 3.04Å; D1409-V1412 HydrophobicContact CB-CB 4.41Å; D1409-V1412 HydrophobicContact CB-CG2 4.13Å; D1409-V1412 PolarHBondContact O-N 2.98Å; D1409-R1413 WeakPolarHBondContact O-CG 3.15Å; D1409-R1413 PolarHBondContact O-N 2.76Å
1410V87.6Confident91.3Very high24 Ų2434.3 Ų34.315%0.14518%0.183CC..Hα-helixtrans-59.7-41.1-1771740000111.9S834 R1413 K1414S834-V1410 WeakPolarHBondContact O-CB 3.5Å; S834-V1410 WeakPolarHBondContact O-CG2 3.37Å; S834-V1410 PolarHBondContact O-N 2.82Å; V1410-R1413 WeakPolarHBondContact O-CB 3.42Å; V1410-R1413 PolarHBondContact O-N 2.98Å; V1410-K1414 HydrophobicContact CG1-CD 4.45Å; V1410-K1414 PolarHBondContact O-N 3.13Å
1411H87.5Confident91.4Very high72 Ų7235.7 Ų35.733%0.33321%0.208SC..Hα-helixtrans-65.1-46.6-179.8-64.2-62000111.8S834 D1409 R1413 K1414 E1415S834-H1411 PolarHBondContact OG-NE2 3.4Å; S834-H1411 VanDerWaalsContact OG-NE2 3.16Å; D1409-H1411 VanDerWaalsContact C-N 3.3Å; D1409-H1411 PolarHBondContact O-N 3.04Å; H1411-R1413 VanDerWaalsContact C-N 3.28Å; H1411-R1413 PolarHBondContact O-N 2.75Å; H1411-K1414 PolarHBondContact O-N 3.1Å; H1411-K1414 VanDerWaalsContact O-N 3.16Å; H1411-E1415 WeakPolarHBondContact O-CB 3.48Å; H1411-E1415 PolarHBondContact O-N 3.29Å
1412V90.5Very high91.4Very high38 Ų3836.7 Ų36.723%0.2321%0.214CC..Hα-helixtrans-59.3-40.91751770000110.8V1367 D1409 K1414 E1415 V1416V1367-V1412 HydrophobicContact CG1-CG1 3.34Å; D1409-V1412 HydrophobicContact CB-CB 4.41Å; D1409-V1412 HydrophobicContact CB-CG2 4.13Å; D1409-V1412 PolarHBondContact O-N 2.98Å; V1412-K1414 PolarHBondContact O-N 3.09Å; V1412-E1415 PolarHBondContact O-N 3.36Å; V1412-V1416 HydrophobicContact CG1-CG2 4.23Å; V1412-V1416 WeakPolarHBondContact O-CB 3.43Å; V1412-V1416 WeakPolarHBondContact O-CG2 3.32Å; V1412-V1416 PolarHBondContact O-N 3.35Å
1413R90.4Very high91.2Very high14 Ų1440.6 Ų40.65%0.05324%0.238CC..Hα-helixtrans-61.2-44.8175.9-74.7-174.6-83.4157.3-6.8112.7Y1405 T1408 D1409 V1410 H1411 A1417Y1405-R1413 HydrophobicContact CD2-CG 4.14Å; Y1405-R1413 HydrophobicContact CE1-CG 4.27Å; Y1405-R1413 HydrophobicContact CE2-CB 3.9Å; Y1405-R1413 HydrophobicContact CE2-CG 3.67Å; Y1405-R1413 PolarHBondContact OH-O 3.36Å; Y1405-R1413 VanDerWaalsContact OH-O 3.06Å; T1408-R1413 PolarHBondContact O-NE 3.44Å; T1408-R1413 VanDerWaalsContact O-NE 3.07Å; T1408-R1413 WeakPolarHBondContact OG1-CG 3.4Å; D1409-R1413 WeakPolarHBondContact O-CG 3.15Å; D1409-R1413 PolarHBondContact O-N 2.76Å; V1410-R1413 WeakPolarHBondContact O-CB 3.42Å; V1410-R1413 PolarHBondContact O-N 2.98Å; H1411-R1413 VanDerWaalsContact C-N 3.28Å; H1411-R1413 PolarHBondContact O-N 2.75Å; R1413-A1417 VanDerWaalsContact O-CB 3.3Å; R1413-A1417 WeakPolarHBondContact O-CB 3.03Å; R1413-A1417 PolarHBondContact O-N 3.05Å
1414K90.7Very high91Very high78 Ų7843.9 Ų43.934%0.33925%0.251SS..Hα-helixtrans-63-49.6177-72.9176.7172.8-179.40110.9V1410 H1411 V1412 V1416 A1417 D1418 Y1424V1410-K1414 HydrophobicContact CG1-CD 4.45Å; V1410-K1414 PolarHBondContact O-N 3.13Å; H1411-K1414 PolarHBondContact O-N 3.1Å; H1411-K1414 VanDerWaalsContact O-N 3.16Å; V1412-K1414 PolarHBondContact O-N 3.09Å; K1414-V1416 PolarHBondContact O-N 2.76Å; K1414-A1417 PolarHBondContact O-N 3.12Å; K1414-A1417 VanDerWaalsContact O-N 3.17Å; K1414-D1418 WeakPolarHBondContact O-CB 3.48Å; K1414-D1418 VanDerWaalsContact O-CG 3.24Å; K1414-D1418 PolarHBondContact O-N 3.07Å; K1414-Y1424 HydrophobicContact CG-CD1 4.5Å
1415E92.6Very high90.7Very high125 Ų12547.5 Ų47.558%0.58427%0.265SS*.Hα-helixtrans-57.8-47.7178.8-175.6-177.8-178.900112.2H1411 V1412 A1417 D1418 C1419H1411-E1415 WeakPolarHBondContact O-CB 3.48Å; H1411-E1415 PolarHBondContact O-N 3.29Å; V1412-E1415 PolarHBondContact O-N 3.36Å; E1415-A1417 PolarHBondContact O-N 3Å; E1415-D1418 PolarHBondContact O-N 3.26Å; E1415-C1419 WeakPolarHBondContact O-CB 3.36Å; E1415-C1419 PolarHBondContact O-N 2.94Å; E1415-C1419 PolarHBondContact O-SG 2.89Å
1416V94Very high90.6Very high6 Ų650.5 Ų50.54%0.03628%0.279CS..Hα-helixtrans-61.5-44.2176.9168.50000111L1360 M1363 V1367 Y1405 V1412 K1414 C1419 I1420L1360-V1416 HydrophobicContact CD1-CG1 3.66Å; M1363-V1416 HydrophobicContact CB-CG1 3.91Å; M1363-V1416 HydrophobicContact CG-CG1 4.27Å; V1367-V1416 HydrophobicContact CG1-CG2 4.5Å; V1367-V1416 HydrophobicContact CG2-CG2 4.01Å; Y1405-V1416 HydrophobicContact CD2-CG1 4.42Å; Y1405-V1416 HydrophobicContact CE2-CB 4.24Å; Y1405-V1416 HydrophobicContact CE2-CG1 4.05Å; V1412-V1416 HydrophobicContact CG1-CG2 4.23Å; V1412-V1416 WeakPolarHBondContact O-CB 3.43Å; V1412-V1416 WeakPolarHBondContact O-CG2 3.32Å; V1412-V1416 PolarHBondContact O-N 3.35Å; K1414-V1416 PolarHBondContact O-N 2.76Å; V1416-C1419 PolarHBondContact O-N 2.83Å; V1416-I1420 HydrophobicContact CG1-CD1 3.69Å; V1416-I1420 VanDerWaalsContact O-CD1 3.27Å; V1416-I1420 WeakPolarHBondContact O-CD1 3.4Å; V1416-I1420 WeakPolarHBondContact O-CG1 3.38Å; V1416-I1420 PolarHBondContact O-N 3.18Å; V1416-I1420 VanDerWaalsContact O-N 3.11Å
1417A93.9Very high90.8Very high0 Ų050 Ų500%028%0.276CS..Hα-helixtrans-62.8-44.5178.300000112R1413 K1414 E1415 I1420 G1421 T1422 L1427R1413-A1417 VanDerWaalsContact O-CB 3.3Å; R1413-A1417 WeakPolarHBondContact O-CB 3.03Å; R1413-A1417 PolarHBondContact O-N 3.05Å; K1414-A1417 PolarHBondContact O-N 3.12Å; K1414-A1417 VanDerWaalsContact O-N 3.17Å; E1415-A1417 PolarHBondContact O-N 3Å; A1417-I1420 PolarHBondContact O-N 3.2Å; A1417-G1421 PolarHBondContact O-N 3.42Å; A1417-G1421 VanDerWaalsContact O-N 3.07Å; A1417-T1422 CarbonylContact C-O 3.19Å; A1417-T1422 WeakPolarHBondContact CB-O 3.23Å; A1417-T1422 PolarHBondContact O-N 2.85Å; A1417-L1427 HydrophobicContact CB-CD1 4.05Å
1418D94.2Very high90.8Very high120 Ų12049.6 Ų49.664%0.64227%0.272SS*.Hα-helixtrans-63.4-42.4178.4-69.6-20.2000111.3K1414 E1415 I1420 G1421K1414-D1418 WeakPolarHBondContact O-CB 3.48Å; K1414-D1418 VanDerWaalsContact O-CG 3.24Å; K1414-D1418 PolarHBondContact O-N 3.07Å; E1415-D1418 PolarHBondContact O-N 3.26Å; D1418-I1420 VanDerWaalsContact C-N 3.27Å; D1418-I1420 PolarHBondContact O-N 3.18Å; D1418-G1421 PolarHBondContact O-N 3.18Å
1419C93Very high90.8Very high80 Ų8050.8 Ų50.854%0.54128%0.278SS..Hα-helixtrans-64.4-30.8176.3-69.30000113.1M1363 E1415 V1416 G1421M1363-C1419 HydrophobicContact CE-CB 3.55Å; E1415-C1419 WeakPolarHBondContact O-CB 3.36Å; E1415-C1419 PolarHBondContact O-N 2.94Å; E1415-C1419 PolarHBondContact O-SG 2.89Å; V1416-C1419 PolarHBondContact O-N 2.83Å; C1419-G1421 VanDerWaalsContact C-N 3.33Å
1420I91.8Very high90.9Very high24 Ų2449.6 Ų49.612%0.12327%0.272CS..Hα-helixtrans-78.4-20.2175.3-65.5162.4000111.4L1359 L1360 M1363 V1416 A1417 D1418 T1422 L1427L1359-I1420 HydrophobicContact CB-CB 4.47Å; L1359-I1420 HydrophobicContact CB-CG1 4.1Å; L1359-I1420 HydrophobicContact CB-CG2 3.74Å; L1359-I1420 HydrophobicContact CD1-CG2 3.92Å; L1359-I1420 HydrophobicContact CG-CG2 4.5Å; L1360-I1420 HydrophobicContact CB-CD1 3.96Å; L1360-I1420 HydrophobicContact CD1-CD1 3.91Å; M1363-I1420 HydrophobicContact CG-CD1 4.3Å; M1363-I1420 HydrophobicContact CG-CG1 4.11Å; V1416-I1420 HydrophobicContact CG1-CD1 3.69Å; V1416-I1420 VanDerWaalsContact O-CD1 3.27Å; V1416-I1420 WeakPolarHBondContact O-CD1 3.4Å; V1416-I1420 WeakPolarHBondContact O-CG1 3.38Å; V1416-I1420 PolarHBondContact O-N 3.18Å; V1416-I1420 VanDerWaalsContact O-N 3.11Å; A1417-I1420 PolarHBondContact O-N 3.2Å; D1418-I1420 VanDerWaalsContact C-N 3.27Å; D1418-I1420 PolarHBondContact O-N 3.18Å; I1420-T1422 HydrophobicContact CB-CG2 4.08Å; I1420-T1422 HydrophobicContact CG2-CG2 3.74Å; I1420-L1427 HydrophobicContact CD1-CD1 4.36Å
1421G93.2Very high91.2Very high72 Ų7248.5 Ų48.574%0.74227%0.265SS*.THydrogen-bonded Turntrans79.233.8-173.700000113.2A1417 D1418 C1419A1417-G1421 PolarHBondContact O-N 3.42Å; A1417-G1421 VanDerWaalsContact O-N 3.07Å; D1418-G1421 PolarHBondContact O-N 3.18Å; C1419-G1421 VanDerWaalsContact C-N 3.33Å
1422T93.8Very high91.3Very high24 Ų2445.1 Ų45.115%0.14725%0.25CS..SBendtrans-134.7165.8177-172.60000110.4R1356 A1417 I1420 L1427R1356-T1422 HydrophobicContact CG-CG2 4.45Å; A1417-T1422 CarbonylContact C-O 3.19Å; A1417-T1422 WeakPolarHBondContact CB-O 3.23Å; A1417-T1422 PolarHBondContact O-N 2.85Å; I1420-T1422 HydrophobicContact CB-CG2 4.08Å; I1420-T1422 HydrophobicContact CG2-CG2 3.74Å; T1422-L1427 HydrophobicContact CG2-CD1 3.8Å; T1422-L1427 HydrophobicContact CG2-CD2 3.84Å; T1422-L1427 HydrophobicContact CG2-CG 3.65Å
1423T90.5Very high91.2Very high82 Ų8244 Ų4450%0.50324%0.242SC..  trans-84.3146.8172.664.90000110.9Q1425 Q1426 L1427T1423-Q1425 PolarHBondContact O-N 2.88Å; T1423-Q1426 PolarHBondContact O-N 2.79Å; T1423-Q1426 VanDerWaalsContact O-N 3.13Å; T1423-Q1426 WeakPolarHBondContact OG1-CB 3.49Å; T1423-Q1426 PolarHBondContact OG1-N 2.88Å; T1423-L1427 PolarHBondContact O-N 2.82Å
1424Y87.6Confident91.2Very high73 Ų7343.9 Ų43.929%0.28624%0.243SC..Hα-helixtrans-59-31.1174.780.4-87.5000111.8K1414 L1427 F1428K1414-Y1424 HydrophobicContact CG-CD1 4.5Å; Y1424-L1427 PolarHBondContact O-N 2.94Å; Y1424-F1428 PolarHBondContact O-N 3.13Å
1425Q86.2Confident91.1Very high93 Ų9340.5 Ų40.544%0.43523%0.228SC..Hα-helixtrans-64.7-43.1176.4-63.5-177.7-2.600111.9T1423 L1427 F1428 D1429T1423-Q1425 PolarHBondContact O-N 2.88Å; Q1425-L1427 VanDerWaalsContact C-N 3.33Å; Q1425-L1427 PolarHBondContact O-N 3.01Å; Q1425-F1428 WeakPolarHBondContact O-CB 3.32Å; Q1425-F1428 PolarHBondContact O-N 2.97Å; Q1425-D1429 VanDerWaalsContact O-CG 3.26Å; Q1425-D1429 PolarHBondContact O-N 2.88Å
1426Q90.7Very high90.9Very high66 Ų6635 Ų3531%0.30820%0.202SC..Hα-helixtrans-65-38.1178.4-178.365.356.300111.9T1423 F1428 D1429 D1430T1423-Q1426 PolarHBondContact O-N 2.79Å; T1423-Q1426 VanDerWaalsContact O-N 3.13Å; T1423-Q1426 WeakPolarHBondContact OG1-CB 3.49Å; T1423-Q1426 PolarHBondContact OG1-N 2.88Å; Q1426-F1428 VanDerWaalsContact C-N 3.34Å; Q1426-D1429 PolarHBondContact O-N 3.08Å; Q1426-D1430 PolarHBondContact NE2-OD1 2.85Å; Q1426-D1430 VanDerWaalsContact NE2-OD1 3.12Å; Q1426-D1430 VanDerWaalsContact O-CG 3.3Å; Q1426-D1430 PolarHBondContact O-N 3.31Å
1427L91.9Very high90.6Very high0 Ų034.7 Ų34.70%020%0.2CC..Hα-helixtrans-64.7-41.3174.5-69177.5000111.3R1356 L1357 L1360 Y1405 A1417 I1420 T1422 T1423 Y1424 Q1425 D1430 L1431R1356-L1427 HydrophobicContact CG-CD2 3.78Å; L1357-L1427 HydrophobicContact CD2-CD2 4.5Å; L1360-L1427 HydrophobicContact CD1-CD1 4.21Å; L1360-L1427 HydrophobicContact CD2-CD2 4.28Å; Y1405-L1427 HydrophobicContact CE1-CB 4.05Å; Y1405-L1427 HydrophobicContact CE1-CD1 4.24Å; Y1405-L1427 HydrophobicContact CE2-CD1 4.43Å; A1417-L1427 HydrophobicContact CB-CD1 4.05Å; I1420-L1427 HydrophobicContact CD1-CD1 4.36Å; T1422-L1427 HydrophobicContact CG2-CD1 3.8Å; T1422-L1427 HydrophobicContact CG2-CD2 3.84Å; T1422-L1427 HydrophobicContact CG2-CG 3.65Å; T1423-L1427 PolarHBondContact O-N 2.82Å; Y1424-L1427 PolarHBondContact O-N 2.94Å; Q1425-L1427 VanDerWaalsContact C-N 3.33Å; Q1425-L1427 PolarHBondContact O-N 3.01Å; L1427-D1430 PolarHBondContact O-N 3.08Å; L1427-L1431 WeakPolarHBondContact O-CG 3.14Å; L1427-L1431 PolarHBondContact O-N 2.78Å
1428F89Confident90.2Very high9 Ų935 Ų354%0.03920%0.202CC..Hα-helixtrans-63.3-44176.6-162.8-92.2000111.8H885 V915 K917 L1406 Y1424 Q1425 Q1426 D1430 L1431 A1432H885-F1428 AromaticContact CE1-CD2 3.62Å; H885-F1428 AromaticContact CE1-CE1 3.85Å; H885-F1428 AromaticContact CE1-CE2 3.3Å; H885-F1428 WeakPolarHBondContact CE1-CE2 3.32Å; H885-F1428 AromaticContact CE1-CZ 3.44Å; H885-F1428 VanDerWaalsContact CE1-CZ 3.44Å; H885-F1428 WeakPolarHBondContact CE1-CZ 3.38Å; H885-F1428 AromaticContact ND1-CE2 3.28Å; H885-F1428 VanDerWaalsContact ND1-CE2 3.28Å; H885-F1428 WeakPolarHBondContact ND1-CE2 3.48Å; H885-F1428 AromaticContact ND1-CZ 3.31Å; H885-F1428 VanDerWaalsContact ND1-CZ 3.31Å; H885-F1428 WeakPolarHBondContact ND1-CZ 3.22Å; V915-F1428 HydrophobicContact CB-CE1 4.23Å; V915-F1428 HydrophobicContact CB-CZ 4.16Å; V915-F1428 HydrophobicContact CG1-CD1 4.22Å; V915-F1428 HydrophobicContact CG1-CE1 3.34Å; V915-F1428 HydrophobicContact CG1-CZ 3.77Å; V915-F1428 HydrophobicContact CG2-CE1 4.25Å; V915-F1428 HydrophobicContact CG2-CZ 3.93Å; K917-F1428 HydrophobicContact CB-CD1 4.47Å; K917-F1428 HydrophobicContact CB-CE1 3.82Å; K917-F1428 HydrophobicContact CD-CD1 4.14Å; K917-F1428 HydrophobicContact CD-CE1 4.26Å; L1406-F1428 HydrophobicContact CD2-CD2 3.49Å; L1406-F1428 VanDerWaalsContact CD2-CD2 3.49Å; L1406-F1428 HydrophobicContact CD2-CE2 3.59Å; Y1424-F1428 PolarHBondContact O-N 3.13Å; Q1425-F1428 WeakPolarHBondContact O-CB 3.32Å; Q1425-F1428 PolarHBondContact O-N 2.97Å; Q1426-F1428 VanDerWaalsContact C-N 3.34Å; F1428-D1430 VanDerWaalsContact C-N 3.32Å; F1428-D1430 PolarHBondContact O-N 3.44Å; F1428-L1431 PolarHBondContact O-N 3.37Å; F1428-A1432 VanDerWaalsContact O-CB 3.26Å; F1428-A1432 WeakPolarHBondContact O-CB 3.43Å; F1428-A1432 PolarHBondContact O-N 3.12Å
1429D88.6Confident89.4Confident37 Ų3729.6 Ų29.620%0.19817%0.173CC..Hα-helixtrans-63.5-37.7178.1-68.7-10.3000111.9K917 Q1425 Q1426 E1433K917-D1429 IonicContact NZ-OD1 2.68Å; K917-D1429 PolarHBondContact NZ-OD1 2.84Å; Q1425-D1429 VanDerWaalsContact O-CG 3.26Å; Q1425-D1429 PolarHBondContact O-N 2.88Å; Q1426-D1429 PolarHBondContact O-N 3.08Å; D1429-E1433 WeakPolarHBondContact O-CB 3.36Å; D1429-E1433 PolarHBondContact O-N 2.98Å
1430D92.1Very high88.3Confident5 Ų526.2 Ų26.23%0.02715%0.15CC..Hα-helixtrans-64.5-48.6174.3-72.3-5.9000111.4R1356 L1357 Q1426 L1427 F1428 A1432 E1433 L1434R1356-D1430 IonicContact CZ-OD1 2.77Å; R1356-D1430 IonicContact CZ-OD2 2.63Å; R1356-D1430 IonicContact NE-OD2 2.8Å; R1356-D1430 PolarHBondContact NE-OD2 3.13Å; R1356-D1430 IonicContact NH2-OD1 3.16Å; R1356-D1430 PolarHBondContact NH2-OD1 3Å; R1356-D1430 IonicContact NH2-OD2 3.03Å; R1356-D1430 PolarHBondContact NH2-OD2 2.86Å; L1357-D1430 HydrophobicContact CD2-CB 4.36Å; Q1426-D1430 PolarHBondContact NE2-OD1 2.85Å; Q1426-D1430 VanDerWaalsContact NE2-OD1 3.12Å; Q1426-D1430 VanDerWaalsContact O-CG 3.3Å; Q1426-D1430 PolarHBondContact O-N 3.31Å; L1427-D1430 PolarHBondContact O-N 3.08Å; F1428-D1430 VanDerWaalsContact C-N 3.32Å; F1428-D1430 PolarHBondContact O-N 3.44Å; D1430-A1432 VanDerWaalsContact C-N 3.33Å; D1430-A1432 PolarHBondContact O-N 3.01Å; D1430-E1433 WeakPolarHBondContact O-CB 3.1Å; D1430-E1433 PolarHBondContact O-N 3.37Å; D1430-L1434 WeakPolarHBondContact O-CG 3.14Å; D1430-L1434 PolarHBondContact O-N 2.9Å
1431L92.5Very high86.8Confident0 Ų025.1 Ų25.10%014%0.144CC..Hα-helixtrans-64.3-38.5179.1-66.9176.3000111.8L1357 L1402 F1403 Y1405 L1406 L1427 F1428 L1434 Q1435L1357-L1431 HydrophobicContact CD2-CD2 4.33Å; L1402-L1431 HydrophobicContact CB-CD2 4.02Å; F1403-L1431 HydrophobicContact CE1-CB 4.16Å; F1403-L1431 HydrophobicContact CE2-CD2 4.37Å; F1403-L1431 HydrophobicContact CZ-CB 4.37Å; F1403-L1431 HydrophobicContact CZ-CD2 4.45Å; F1403-L1431 VanDerWaalsContact CZ-O 3.32Å; F1403-L1431 WeakPolarHBondContact CZ-O 3.49Å; Y1405-L1431 HydrophobicContact CD1-CD1 3.95Å; L1406-L1431 HydrophobicContact CD2-CD1 3.73Å; L1406-L1431 HydrophobicContact CG-CD1 4Å; L1427-L1431 WeakPolarHBondContact O-CG 3.14Å; L1427-L1431 PolarHBondContact O-N 2.78Å; F1428-L1431 PolarHBondContact O-N 3.37Å; L1431-L1434 HydrophobicContact CD2-CD1 4.47Å; L1431-L1434 PolarHBondContact O-N 3.37Å; L1431-Q1435 PolarHBondContact O-N 2.8Å
1432A89.2Confident86.5Confident2 Ų222.8 Ų22.82%0.01711%0.114CC..Hα-helixtrans-60.4-44.717300000111.6V915 F1428 D1430 L1434 Q1435 R1436V915-A1432 HydrophobicContact CB-CB 4.36Å; V915-A1432 HydrophobicContact CG1-CB 3.47Å; V915-A1432 VanDerWaalsContact CG1-CB 3.47Å; V915-A1432 HydrophobicContact CG2-CB 4.36Å; F1428-A1432 VanDerWaalsContact O-CB 3.26Å; F1428-A1432 WeakPolarHBondContact O-CB 3.43Å; F1428-A1432 PolarHBondContact O-N 3.12Å; D1430-A1432 VanDerWaalsContact C-N 3.33Å; D1430-A1432 PolarHBondContact O-N 3.01Å; A1432-L1434 PolarHBondContact O-N 2.98Å; A1432-Q1435 PolarHBondContact O-N 2.83Å; A1432-R1436 WeakPolarHBondContact O-CB 3.26Å; A1432-R1436 VanDerWaalsContact O-CG 3.24Å; A1432-R1436 WeakPolarHBondContact O-CG 3.28Å; A1432-R1436 PolarHBondContact O-N 3.38Å
1433E89.1Confident86.1Confident15 Ų1522.7 Ų22.77%0.0711%0.112CC..Hα-helixtrans-60.4-44.8176.2-176.7176.2148.100111.4L1320 K1324 M1328 D1429 D1430 Q1435 R1436 L1437L1320-E1433 HydrophobicContact CD2-CG 3.94Å; K1324-E1433 IonicContact NZ-OE2 3.04Å; K1324-E1433 PolarHBondContact NZ-OE2 3.23Å; M1328-E1433 WeakPolarHBondContact CE-OE1 3.37Å; D1429-E1433 WeakPolarHBondContact O-CB 3.36Å; D1429-E1433 PolarHBondContact O-N 2.98Å; D1430-E1433 WeakPolarHBondContact O-CB 3.1Å; D1430-E1433 PolarHBondContact O-N 3.37Å; E1433-Q1435 VanDerWaalsContact C-N 3.32Å; E1433-Q1435 PolarHBondContact O-N 2.82Å; E1433-R1436 PolarHBondContact O-N 3.19Å; E1433-L1437 HydrophobicContact CG-CD1 3.97Å; E1433-L1437 HydrophobicContact CG-CG 4.47Å; E1433-L1437 WeakPolarHBondContact O-CB 3.06Å; E1433-L1437 WeakPolarHBondContact O-CD1 3.31Å; E1433-L1437 WeakPolarHBondContact O-CG 3.27Å; E1433-L1437 PolarHBondContact O-N 3.19Å
1434L90.8Very high85.9Confident11 Ų1119.4 Ų19.46%0.0589%0.09CC..Hα-helixtrans-60.6-41.3176.5-63.9-176.4000112.5V4 L1347 L1349 L1357 F1403 D1430 L1431 A1432 T1438V4-L1434 HydrophobicContact CG1-CD1 4.34Å; V4-L1434 HydrophobicContact CG1-CD2 4.27Å; L1347-L1434 HydrophobicContact CD2-CD2 3.86Å; L1349-L1434 HydrophobicContact CD2-CD2 3.38Å; L1357-L1434 HydrophobicContact CD1-CD1 3.78Å; F1403-L1434 HydrophobicContact CE2-CB 4.43Å; F1403-L1434 HydrophobicContact CZ-CB 4.21Å; D1430-L1434 WeakPolarHBondContact O-CG 3.14Å; D1430-L1434 PolarHBondContact O-N 2.9Å; L1431-L1434 HydrophobicContact CD2-CD1 4.47Å; L1431-L1434 PolarHBondContact O-N 3.37Å; A1432-L1434 PolarHBondContact O-N 2.98Å; L1434-T1438 PolarHBondContact O-OG1 2.88Å
1435Q88.9Confident85.8Confident7 Ų716.2 Ų16.23%0.0338%0.079CC..Hα-helixtrans-64.7-50.4177.4179.9167.1-10.700111.2M913 F1403 L1431 A1432 E1433 L1437 T1438M913-Q1435 PolarHBondContact O-NE2 2.83Å; M913-Q1435 VanDerWaalsContact O-NE2 3.15Å; M913-Q1435 PolarHBondContact O-OE1 3.21Å; F1403-Q1435 HydrophobicContact CE1-CB 4.18Å; F1403-Q1435 HydrophobicContact CZ-CB 4.09Å; L1431-Q1435 PolarHBondContact O-N 2.8Å; A1432-Q1435 PolarHBondContact O-N 2.83Å; E1433-Q1435 VanDerWaalsContact C-N 3.32Å; E1433-Q1435 PolarHBondContact O-N 2.82Å; Q1435-L1437 VanDerWaalsContact C-N 3.3Å; Q1435-L1437 PolarHBondContact O-N 3.35Å; Q1435-T1438 PolarHBondContact O-N 3.06Å; Q1435-T1438 VanDerWaalsContact O-N 3.09Å; Q1435-T1438 PolarHBondContact O-OG1 3.5Å
1436R87.1Confident85.8Confident8 Ų811.4 Ų11.43%0.036%0.057CC..Hα-helixtrans-64.6-30-177.5-67.9174.6178.5150.56.1113.9K917 H919 Y947 H1316 E1319 L1320 A1432 E1433 T1438 T1439K917-R1436 PolarHBondContact O-NH2 3.45Å; H919-R1436 PolarHBondContact CD2-NH1 2.84Å; H919-R1436 PolarHBondContact NE2-NH1 2.79Å; Y947-R1436 VanDerWaalsContact CZ-CZ 3.47Å; Y947-R1436 VanDerWaalsContact CZ-NH2 3.35Å; H1316-R1436 WeakPolarHBondContact CB-O 3.39Å; H1316-R1436 PolarHBondContact ND1-O 3.12Å; E1319-R1436 HydrophobicContact CB-CB 4.18Å; E1319-R1436 HydrophobicContact CB-CG 4.14Å; E1319-R1436 WeakPolarHBondContact OE2-CG 2.98Å; L1320-R1436 HydrophobicContact CD2-CB 4.31Å; A1432-R1436 WeakPolarHBondContact O-CB 3.26Å; A1432-R1436 VanDerWaalsContact O-CG 3.24Å; A1432-R1436 WeakPolarHBondContact O-CG 3.28Å; A1432-R1436 PolarHBondContact O-N 3.38Å; E1433-R1436 PolarHBondContact O-N 3.19Å; R1436-T1438 PolarHBondContact O-N 2.92Å; R1436-T1439 PolarHBondContact O-OG1 3.18Å
1437L87.7Confident85.5Confident0 Ų07.8 Ų7.80%04%0.04CC..THydrogen-bonded Turntrans-67.7-12.5176-74.1167.9000113.6H1316 L1320 M1328 L1347 E1433 Q1435H1316-L1437 PolarHBondContact N-O 3.34Å; L1320-L1437 HydrophobicContact CD1-CD2 3.54Å; L1320-L1437 HydrophobicContact CD1-CG 4.24Å; M1328-L1437 HydrophobicContact CB-CD2 3.89Å; M1328-L1437 HydrophobicContact CG-CD2 4.25Å; M1328-L1437 HydrophobicContact SD-CD1 4.42Å; M1328-L1437 HydrophobicContact SD-CD2 4.49Å; L1347-L1437 HydrophobicContact CD2-CB 4.14Å; L1347-L1437 HydrophobicContact CD2-CD1 3.89Å; E1433-L1437 HydrophobicContact CG-CD1 3.97Å; E1433-L1437 HydrophobicContact CG-CG 4.47Å; E1433-L1437 WeakPolarHBondContact O-CB 3.06Å; E1433-L1437 WeakPolarHBondContact O-CD1 3.31Å; E1433-L1437 WeakPolarHBondContact O-CG 3.27Å; E1433-L1437 PolarHBondContact O-N 3.19Å; Q1435-L1437 VanDerWaalsContact C-N 3.3Å; Q1435-L1437 PolarHBondContact O-N 3.35Å
1438T85.3Confident85Confident7 Ų78.4 Ų8.44%0.0434%0.043CC..THydrogen-bonded Turntrans-120.613.1-172.557.70000113.8Y1335 L1434 Q1435 R1436 H1440Y1335-T1438 PolarHBondContact OH-O 2.76Å; L1434-T1438 PolarHBondContact O-OG1 2.88Å; Q1435-T1438 PolarHBondContact O-N 3.06Å; Q1435-T1438 VanDerWaalsContact O-N 3.09Å; Q1435-T1438 PolarHBondContact O-OG1 3.5Å; R1436-T1438 PolarHBondContact O-N 2.92Å; T1438-H1440 PolarHBondContact O-N 2.83Å
1439T78.5Confident84.7Confident6 Ų68.3 Ų8.34%0.0374%0.043CC..  trans-91.229.9-178.851.10000115.4H1316 E1319 R1436 F1441H1316-T1439 PolarHBondContact ND1-OG1 3.17Å; E1319-T1439 PolarHBondContact OE1-OG1 2.64Å; R1436-T1439 PolarHBondContact O-OG1 3.18Å; T1439-F1441 PolarHBondContact O-N 2.93Å
1440H69.5Low84.4Confident10 Ų105.9 Ų5.95%0.0463%0.03CC..  trans-61.1-40.6-171.4-78.5-70.8000117.9V489 L1313 R1314 S1315 H1316 Y1335 T1438V489-H1440 HydrophobicContact CG2-CB 4.34Å; L1313-H1440 HydrophobicContact CD2-CB 3.49Å; L1313-H1440 VanDerWaalsContact CD2-CB 3.49Å; R1314-H1440 PolarHBondContact O-CE1 3.49Å; R1314-H1440 PolarHBondContact O-NE2 3.01Å; S1315-H1440 VanDerWaalsContact C-NE2 3.26Å; S1315-H1440 VanDerWaalsContact CA-NE2 3.28Å; S1315-H1440 WeakPolarHBondContact CA-NE2 3.46Å; H1316-H1440 WeakPolarHBondContact CA-CE1 3.23Å; H1316-H1440 VanDerWaalsContact CB-CE1 3.41Å; H1316-H1440 WeakPolarHBondContact CB-CE1 3.18Å; H1316-H1440 PolarHBondContact N-CE1 3.31Å; H1316-H1440 PolarHBondContact N-NE2 3.4Å; Y1335-H1440 PolarHBondContact OH-CD2 2.73Å; T1438-H1440 PolarHBondContact O-N 2.83Å
1441F61.6Low83.7Confident0 Ų06 Ų60%03%0.03CC..  trans-103.40-171.844.5-74.6000111V489 I491 L506 Q507 R508 S509 R511 Y1335 L1343 T1439V489-F1441 VanDerWaalsContact O-CA 3.23Å; V489-F1441 WeakPolarHBondContact O-CA 3.49Å; V489-F1441 WeakPolarHBondContact O-CB 3.46Å; I491-F1441 HydrophobicContact CB-CD2 4.39Å; I491-F1441 HydrophobicContact CB-CE2 4.5Å; I491-F1441 HydrophobicContact CD1-CD1 3.68Å; I491-F1441 HydrophobicContact CD1-CD2 4.19Å; I491-F1441 HydrophobicContact CD1-CE1 3.23Å; I491-F1441 HydrophobicContact CD1-CE2 3.8Å; I491-F1441 HydrophobicContact CD1-CG 4.19Å; I491-F1441 HydrophobicContact CD1-CZ 3.33Å; I491-F1441 HydrophobicContact CG1-CD1 3.79Å; I491-F1441 HydrophobicContact CG1-CD2 4.07Å; I491-F1441 HydrophobicContact CG1-CE1 3.89Å; I491-F1441 HydrophobicContact CG1-CE2 4.16Å; I491-F1441 HydrophobicContact CG1-CG 3.94Å; I491-F1441 HydrophobicContact CG1-CZ 4.11Å; L506-F1441 HydrophobicContact CB-CD2 4.45Å; L506-F1441 HydrophobicContact CB-CE2 4.37Å; L506-F1441 WeakPolarHBondContact O-CD2 3.16Å; Q507-F1441 VanDerWaalsContact C-CD2 3.42Å; Q507-F1441 VanDerWaalsContact CA-OXT 3.22Å; Q507-F1441 WeakPolarHBondContact CA-OXT 3.48Å; Q507-F1441 WeakPolarHBondContact CB-OXT 3.13Å; R508-F1441 CarbonylContact C-O 3.48Å; R508-F1441 VanDerWaalsContact C-O 3.22Å; R508-F1441 WeakPolarHBondContact CA-O 3.49Å; R508-F1441 HydrophobicContact CB-CB 4.38Å; R508-F1441 HydrophobicContact CB-CD1 4.13Å; R508-F1441 HydrophobicContact CB-CD2 3.49Å; R508-F1441 VanDerWaalsContact CB-CD2 3.49Å; R508-F1441 HydrophobicContact CB-CE1 4.25Å; R508-F1441 HydrophobicContact CB-CE2 3.64Å; R508-F1441 HydrophobicContact CB-CG 3.71Å; R508-F1441 HydrophobicContact CB-CZ 4Å; R508-F1441 WeakPolarHBondContact CB-O 3.16Å; R508-F1441 PolarHBondContact N-O 3.46Å; R508-F1441 PolarHBondContact N-OXT 3.03Å; S509-F1441 PolarHBondContact N-O 2.75Å; S509-F1441 PolarHBondContact OG-O 3.11Å; R511-F1441 PolarHBondContact NH2-OXT 2.81Å; Y1335-F1441 HydrophobicContact CD1-CE1 4.08Å; Y1335-F1441 HydrophobicContact CD1-CZ 4.21Å; Y1335-F1441 AromaticContact CE1-CE1 3.46Å; Y1335-F1441 HydrophobicContact CE1-CE1 3.46Å; Y1335-F1441 VanDerWaalsContact CE1-CE1 3.46Å; Y1335-F1441 AromaticContact CE1-CZ 3.83Å; Y1335-F1441 HydrophobicContact CE1-CZ 3.83Å; Y1335-F1441 HydrophobicContact CE2-CE1 4.09Å; Y1335-F1441 AromaticContact CZ-CE1 3.47Å; Y1335-F1441 VanDerWaalsContact CZ-CE1 3.47Å; L1343-F1441 HydrophobicContact CD2-CE2 4.12Å; L1343-F1441 HydrophobicContact CD2-CZ 3.97Å; T1439-F1441 PolarHBondContact O-N 2.93Å

Retrieved 1,441 of 1,441 residues in 422.3 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).