A0A5K4FB44_SCHMA Loading...

WD repeat-containing protein 74

AlphaFold DB (A0A5K4FDC9), UniProt , Accession A0A5K4FB44, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 459 aa.

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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
1M30.6Very low43Very low229 Ų229102.9 Ų102.9100%1.12862%0.624SS**  0104.80-66.5-70.3179.600106.1G3M1-G3 PolarHBondContact O-N 2.82Å; M1-G3 VanDerWaalsContact O-N 3.1Å
2P33.3Very low46.6Very low127 Ų12794.4 Ų94.483%0.82557%0.573SS**  trans-63119.9173.228.3-29000106.2M4P2-M4 PolarHBondContact O-N 3.46Å
3G29.6Very low50Low64 Ų6487.2 Ų87.266%0.6653%0.529SS*.  trans-54.1124.5177.700000107.9M1 T5M1-G3 PolarHBondContact O-N 2.82Å; M1-G3 VanDerWaalsContact O-N 3.1Å; G3-T5 PolarHBondContact O-N 2.96Å
4M28.8Very low53Low187 Ų18780.9 Ų80.992%0.92149%0.491SS*.  trans-60.694163.6-62.6171.183.800104.7P2 S6P2-M4 PolarHBondContact O-N 3.46Å; M4-S6 PolarHBondContact O-N 3.4Å
5T29.3Very low55.7Low101 Ų10175.7 Ų75.762%0.6246%0.459SS*.  trans-51.7118.8159.243.40000103.9G3 D7G3-T5 PolarHBondContact O-N 2.96Å; T5-D7 WeakPolarHBondContact CB-OD1 3.45Å; T5-D7 PolarHBondContact O-N 3.04Å; T5-D7 PolarHBondContact OG1-OD1 3.15Å
6S31.2Very low58.1Low121 Ų12171 Ų7185%0.84643%0.431SS*.  trans-62.483.1168.152.50000105.4M4 A8M4-S6 PolarHBondContact O-N 3.4Å; S6-A8 PolarHBondContact O-N 3.3Å
7D37.8Very low60.2Low128 Ų12866.8 Ų66.868%0.68441%0.406SS*.  trans-59.6137.3-171.5-77.3-21.8000107.9T5T5-D7 WeakPolarHBondContact CB-OD1 3.45Å; T5-D7 PolarHBondContact O-N 3.04Å; T5-D7 PolarHBondContact OG1-OD1 3.15Å
8A43.4Very low62Low52 Ų5265.7 Ų65.743%0.4340%0.401SS..SBendtrans-33.8140.5-174.300000113.1S6 D10S6-A8 PolarHBondContact O-N 3.3Å; A8-D10 WeakPolarHBondContact O-CA 3.5Å; A8-D10 PolarHBondContact O-N 3.28Å
9S53.7Low63.4Low59 Ų5963.3 Ų63.341%0.41339%0.388SS..  trans-17.890.8168.551.90000112.8L11S9-L11 PolarHBondContact O-N 3.41Å
10D71.5Confident64.8Low54 Ų5460.1 Ų60.129%0.28937%0.369SS..  trans-79.267.7-166.5-161.822.9000108.8A8 S26 R28A8-D10 WeakPolarHBondContact O-CA 3.5Å; A8-D10 PolarHBondContact O-N 3.28Å; D10-S26 VanDerWaalsContact O-CB 3.25Å; D10-S26 WeakPolarHBondContact O-CB 3.42Å; D10-S26 PolarHBondContact O-OG 2.79Å; D10-S26 VanDerWaalsContact O-OG 3.06Å; D10-R28 IonicContact OD2-CZ 2.75Å; D10-R28 IonicContact OD2-NH1 3.77Å; D10-R28 PolarHBondContact OD2-NH1 3.23Å
11L83.5Confident66.1Low10 Ų1057.6 Ų57.65%0.05235%0.353CS..  trans-78.9117.8175.9-64175000108.2S9 L35S9-L11 PolarHBondContact O-N 3.41Å; L11-L35 HydrophobicContact CD1-CD1 4.02Å; L11-L35 HydrophobicContact CD1-CD2 3.47Å; L11-L35 VanDerWaalsContact CD1-CD2 3.47Å; L11-L35 HydrophobicContact CD1-CG 4.38Å; L11-L35 HydrophobicContact CD2-CD2 4.45Å
12D87Confident69.1Low1 Ų146.8 Ų46.81%0.00530%0.3CS..  trans-85.7-38.7180-72.7-49.6000110.9I25 I27 R28 V382 R383 T386D12-I25 WeakPolarHBondContact CB-O 3.48Å; D12-I25 PolarHBondContact N-O 2.75Å; D12-I27 HydrophobicContact CB-CB 4.36Å; D12-I27 HydrophobicContact CB-CD1 3.87Å; D12-I27 HydrophobicContact CB-CG1 3.81Å; D12-I27 WeakPolarHBondContact OD2-CA 3.43Å; D12-I27 WeakPolarHBondContact OD2-CB 3.49Å; D12-I27 PolarHBondContact OD2-N 3.49Å; D12-R28 PolarHBondContact OD2-N 3.3Å; D12-V382 CarbonylContact O-C 3.51Å; D12-R383 WeakPolarHBondContact O-CB 3.3Å; D12-R383 PolarHBondContact O-N 3.08Å; D12-T386 VanDerWaalsContact CA-CG2 3.49Å; D12-T386 HydrophobicContact CB-CG2 3.4Å; D12-T386 VanDerWaalsContact CB-CG2 3.4Å; D12-T386 WeakPolarHBondContact O-CG2 3.07Å; D12-T386 WeakPolarHBondContact OD1-CG2 3.25Å
13I90.3Very high71.9Confident0 Ų040.9 Ų40.90%026%0.261CS..EExtended strand (participates in β ladder)trans-133.3134.2-177.4-49.5-177.9000109.1L15 G24 I25 I27 L357 F380 L381 V382 F388I13-L15 HydrophobicContact CG2-CD2 3.62Å; I13-L15 HydrophobicContact CG2-CG 4.33Å; I13-G24 CarbonylContact O-C 3.6Å; I13-G24 WeakPolarHBondContact O-CA 3.49Å; I13-I25 HydrophobicContact CB-CB 4.15Å; I13-I25 PolarHBondContact N-O 2.65Å; I13-I25 PolarHBondContact O-N 3.27Å; I13-I27 HydrophobicContact CD1-CD1 4.12Å; I13-I27 HydrophobicContact CD1-CG1 4.45Å; I13-I27 HydrophobicContact CG1-CD1 4.3Å; I13-L357 HydrophobicContact CD1-CD2 3.57Å; I13-L357 HydrophobicContact CG2-CD2 4.26Å; I13-F380 HydrophobicContact CG2-CB 4.46Å; I13-F380 HydrophobicContact CG2-CD2 4.26Å; I13-L381 CarbonylContact C-O 3.54Å; I13-L381 VanDerWaalsContact CA-O 3.26Å; I13-L381 WeakPolarHBondContact CA-O 3.47Å; I13-L381 WeakPolarHBondContact CG2-O 3.35Å; I13-V382 HydrophobicContact CD1-CG2 4.43Å; I13-V382 HydrophobicContact CG1-CG2 4.28Å; I13-V382 HydrophobicContact CG2-CG2 4.41Å; I13-F388 HydrophobicContact CD1-CE1 4.25Å
14V92.4Very high74.9Confident0 Ų037.8 Ų37.80%023%0.23CC..EExtended strand (participates in β ladder)trans-113.1133.8173.1-176.20000108.9K23 L35 M46 W48 V53 L65 F380 L381V14-K23 CarbonylContact C-O 3.59Å; V14-K23 WeakPolarHBondContact CA-O 3.35Å; V14-L35 HydrophobicContact CG1-CD1 3.93Å; V14-L35 HydrophobicContact CG2-CD1 4.43Å; V14-M46 HydrophobicContact CG1-CE 3.85Å; V14-W48 HydrophobicContact CG2-CH2 3.66Å; V14-W48 HydrophobicContact CG2-CZ2 3.87Å; V14-V53 HydrophobicContact CB-CG2 4.49Å; V14-V53 HydrophobicContact CG1-CG1 4.49Å; V14-V53 HydrophobicContact CG1-CG2 4.32Å; V14-V53 HydrophobicContact CG2-CG2 4.29Å; V14-L65 HydrophobicContact CG1-CD2 4.37Å; V14-F380 CarbonylContact O-C 3.56Å; V14-F380 VanDerWaalsContact O-CA 3.23Å; V14-F380 WeakPolarHBondContact O-CA 3.43Å; V14-F380 WeakPolarHBondContact O-CB 3.26Å; V14-L381 PolarHBondContact N-O 2.97Å; V14-L381 PolarHBondContact O-N 3.36Å
15L93.8Very high77.8Confident2 Ų228.9 Ų28.91%0.0119%0.186CC..EExtended strand (participates in β ladder)trans-122.4138.5-171.9-51.2171.9000109.9I13 L22 K23 I25 L32 V373 V377 F380I13-L15 HydrophobicContact CG2-CD2 3.62Å; I13-L15 HydrophobicContact CG2-CG 4.33Å; L15-L22 VanDerWaalsContact O-CA 3.29Å; L15-L22 WeakPolarHBondContact O-CA 3.46Å; L15-K23 HydrophobicContact CB-CB 4.46Å; L15-K23 HydrophobicContact CD1-CB 4.45Å; L15-K23 PolarHBondContact N-O 2.66Å; L15-K23 PolarHBondContact O-N 3.34Å; L15-I25 HydrophobicContact CD1-CD1 3.64Å; L15-I25 HydrophobicContact CD1-CG1 4Å; L15-I25 HydrophobicContact CG-CD1 4.46Å; L15-L32 HydrophobicContact CD1-CD1 4.36Å; L15-V373 HydrophobicContact CD1-CB 4.2Å; L15-V373 HydrophobicContact CD1-CG1 3.32Å; L15-V373 HydrophobicContact CD1-CG2 3.74Å; L15-V377 HydrophobicContact CD2-CG1 4.35Å; L15-F380 HydrophobicContact CD2-CB 3.41Å; L15-F380 VanDerWaalsContact CD2-CB 3.41Å; L15-F380 HydrophobicContact CD2-CG 4.31Å
16G93.9Very high80.6Confident1 Ų124.6 Ų24.61%0.0116%0.16CC..EExtended strand (participates in β ladder)trans-112.8149.7169.200000111.5M46 V377 T378 S379G16-M46 PolarHBondContact N-SD 2.81Å; G16-M46 VanDerWaalsContact N-SD 3.4Å; G16-V377 WeakPolarHBondContact O-CA 3.5Å; G16-T378 PolarHBondContact O-N 2.78Å; G16-T378 PolarHBondContact O-OG1 2.99Å; G16-S379 PolarHBondContact N-O 2.79Å
17S94.1Very high83.1Confident0 Ų018.9 Ų18.90%012%0.12CC..EExtended strand (participates in β ladder)trans-126.1163.3179.972.80000112.5A19 G20 F21 V43 P376S17-A19 PolarHBondContact O-N 3.25Å; S17-A19 PolarHBondContact OG-N 3.35Å; S17-G20 PolarHBondContact O-N 3.5Å; S17-G20 PolarHBondContact OG-N 3.46Å; S17-F21 PolarHBondContact N-O 3.39Å; S17-F21 VanDerWaalsContact N-O 3.1Å; S17-F21 WeakPolarHBondContact OG-CA 3.36Å; S17-F21 WeakPolarHBondContact OG-CB 3.33Å; S17-F21 PolarHBondContact OG-N 3.37Å; S17-F21 PolarHBondContact OG-O 2.83Å; S17-F21 VanDerWaalsContact OG-O 3.04Å; S17-V43 WeakPolarHBondContact O-CB 3.11Å; S17-V43 PolarHBondContact O-N 2.93Å; S17-V43 VanDerWaalsContact O-N 3.14Å; S17-P376 VanDerWaalsContact CA-O 3.25Å; S17-P376 WeakPolarHBondContact CA-O 3.14Å; S17-P376 WeakPolarHBondContact CB-O 3.16Å
18S91.1Very high85.1Confident47 Ų4719.9 Ų19.933%0.32911%0.114SC..THydrogen-bonded Turntrans-70.3-12.3176.859.40000114.4N42S18-N42 VanDerWaalsContact CA-OD1 3.26Å; S18-N42 WeakPolarHBondContact CA-OD1 3.43Å; S18-N42 WeakPolarHBondContact O-CA 3.19Å; S18-N42 WeakPolarHBondContact O-CB 3.27Å
19A90.1Very high86.8Confident19 Ų1920.2 Ų20.216%0.15711%0.113CC..THydrogen-bonded Turntrans-106.515.317800000112.3S17 F21 Q429S17-A19 PolarHBondContact O-N 3.25Å; S17-A19 PolarHBondContact OG-N 3.35Å; A19-F21 VanDerWaalsContact C-N 3.29Å; A19-F21 HydrophobicContact CB-CD2 3.91Å; A19-F21 HydrophobicContact CB-CE2 4.01Å; A19-F21 PolarHBondContact O-N 2.91Å; A19-Q429 PolarHBondContact O-OE1 3.17Å
20G90.4Very high88Confident0 Ų019.2 Ų19.20%010%0.102CC..SBendtrans79.53173.100000116S17 I38 E41S17-G20 PolarHBondContact O-N 3.5Å; S17-G20 PolarHBondContact OG-N 3.46Å; G20-I38 WeakPolarHBondContact CA-O 3.32Å; G20-I38 PolarHBondContact O-N 3.42Å; G20-E41 WeakPolarHBondContact CA-O 3.35Å; G20-E41 PolarHBondContact N-O 3.48Å
21F92.8Very high88.7Confident8 Ų819.5 Ų19.54%0.03511%0.105CC..EExtended strand (participates in β ladder)trans-70.9132.4169.7-63.5-91.1000110.6S17 A19 L37 V375 E422 D425 L426S17-F21 PolarHBondContact N-O 3.39Å; S17-F21 VanDerWaalsContact N-O 3.1Å; S17-F21 WeakPolarHBondContact OG-CA 3.36Å; S17-F21 WeakPolarHBondContact OG-CB 3.33Å; S17-F21 PolarHBondContact OG-N 3.37Å; S17-F21 PolarHBondContact OG-O 2.83Å; S17-F21 VanDerWaalsContact OG-O 3.04Å; A19-F21 VanDerWaalsContact C-N 3.29Å; A19-F21 HydrophobicContact CB-CD2 3.91Å; A19-F21 HydrophobicContact CB-CE2 4.01Å; A19-F21 PolarHBondContact O-N 2.91Å; F21-L37 HydrophobicContact CD1-CB 4.32Å; F21-L37 HydrophobicContact CD1-CD1 3.74Å; F21-L37 HydrophobicContact CD1-CD2 4.44Å; F21-L37 HydrophobicContact CD1-CG 4.38Å; F21-L37 HydrophobicContact CD2-CD1 3.9Å; F21-L37 HydrophobicContact CE1-CB 4.47Å; F21-L37 HydrophobicContact CE1-CD1 3.75Å; F21-L37 HydrophobicContact CE1-CD2 3.82Å; F21-L37 HydrophobicContact CE1-CG 4.22Å; F21-L37 HydrophobicContact CE2-CD1 3.9Å; F21-L37 HydrophobicContact CG-CD1 3.81Å; F21-L37 HydrophobicContact CZ-CD1 3.84Å; F21-L37 HydrophobicContact CZ-CD2 4.06Å; F21-V375 HydrophobicContact CB-CG1 4.39Å; F21-V375 HydrophobicContact CD2-CG1 4.1Å; F21-V375 HydrophobicContact CG-CG1 4.2Å; F21-E422 HydrophobicContact CE1-CB 4.38Å; F21-E422 HydrophobicContact CE1-CG 4.3Å; F21-D425 HydrophobicContact CZ-CB 4.22Å; F21-L426 HydrophobicContact CE2-CB 4.19Å; F21-L426 HydrophobicContact CE2-CD1 4.08Å; F21-L426 HydrophobicContact CE2-CG 4.45Å; F21-L426 HydrophobicContact CZ-CB 4.2Å
22L93.7Very high88.8Confident1 Ų121.1 Ų21.11%0.00511%0.114CC..EExtended strand (participates in β ladder)trans-111.2125.3168.4-61.9169.1000108.4L15 L35 S36 V43 M46 F55 L65 V72L15-L22 VanDerWaalsContact O-CA 3.29Å; L15-L22 WeakPolarHBondContact O-CA 3.46Å; L22-L35 HydrophobicContact CB-CB 4.32Å; L22-L35 WeakPolarHBondContact O-CB 3.02Å; L22-L35 PolarHBondContact O-N 3.2Å; L22-S36 PolarHBondContact N-O 3.15Å; L22-S36 PolarHBondContact O-N 3.38Å; L22-V43 HydrophobicContact CD2-CG2 4.21Å; L22-M46 HydrophobicContact CD2-CE 4.09Å; L22-F55 HydrophobicContact CD1-CD1 4.29Å; L22-F55 HydrophobicContact CD1-CE1 3.62Å; L22-F55 HydrophobicContact CD1-CE2 4.27Å; L22-F55 HydrophobicContact CD1-CZ 3.6Å; L22-L65 HydrophobicContact CD1-CD1 4.43Å; L22-L65 HydrophobicContact CD1-CD2 4.17Å; L22-V72 HydrophobicContact CD1-CG2 4.14Å
23K92.2Very high88.9Confident3 Ų322.6 Ų22.61%0.01312%0.124CC..EExtended strand (participates in β ladder)trans-126.8147.7-179.3-62.2-163.9176-1630111.4V14 L15 L32 S33 V373 V375 E422V14-K23 CarbonylContact C-O 3.59Å; V14-K23 WeakPolarHBondContact CA-O 3.35Å; L15-K23 HydrophobicContact CB-CB 4.46Å; L15-K23 HydrophobicContact CD1-CB 4.45Å; L15-K23 PolarHBondContact N-O 2.66Å; L15-K23 PolarHBondContact O-N 3.34Å; K23-L32 HydrophobicContact CB-CD1 4.02Å; K23-L32 HydrophobicContact CD-CD1 4.16Å; K23-L32 HydrophobicContact CD-CD2 4.38Å; K23-L32 HydrophobicContact CD-CG 4.36Å; K23-S33 CarbonylContact C-O 3.59Å; K23-S33 WeakPolarHBondContact CA-O 3.28Å; K23-V373 HydrophobicContact CD-CG1 4.48Å; K23-V375 HydrophobicContact CD-CG2 4.07Å; K23-E422 WeakPolarHBondContact CE-OE1 3.33Å; K23-E422 VanDerWaalsContact NZ-CD 3.31Å; K23-E422 IonicContact NZ-OE1 2.76Å; K23-E422 PolarHBondContact NZ-OE1 2.69Å; K23-E422 IonicContact NZ-OE2 3.55Å; K23-E422 PolarHBondContact NZ-OE2 3.2Å
24G91.6Very high88.9Confident0 Ų025.9 Ų25.90%015%0.146CC..EExtended strand (participates in β ladder)trans-109.7138.7174.700000110.5I13 L32 S33I13-G24 CarbonylContact O-C 3.6Å; I13-G24 WeakPolarHBondContact O-CA 3.49Å; G24-L32 CarbonylContact O-C 3.54Å; G24-L32 WeakPolarHBondContact O-CA 3.47Å; G24-S33 PolarHBondContact N-O 3.15Å; G24-S33 PolarHBondContact O-N 2.84Å; G24-S33 PolarHBondContact O-OG 3.17Å
25I89.9Confident88.7Confident0 Ų026.4 Ų26.40%015%0.149CC..EExtended strand (participates in β ladder)trans-113.3132.1167.8-62.2170.7000107.6D12 I13 L15 I27 T31 L32 L357 I371 V373 F394D12-I25 WeakPolarHBondContact CB-O 3.48Å; D12-I25 PolarHBondContact N-O 2.75Å; I13-I25 HydrophobicContact CB-CB 4.15Å; I13-I25 PolarHBondContact N-O 2.65Å; I13-I25 PolarHBondContact O-N 3.27Å; L15-I25 HydrophobicContact CD1-CD1 3.64Å; L15-I25 HydrophobicContact CD1-CG1 4Å; L15-I25 HydrophobicContact CG-CD1 4.46Å; I25-I27 HydrophobicContact CG2-CG1 4.38Å; I25-T31 WeakPolarHBondContact CA-O 3.37Å; I25-L32 HydrophobicContact CD1-CD1 4.28Å; I25-L32 HydrophobicContact CG1-CD1 3.54Å; I25-L357 HydrophobicContact CD1-CD2 4.17Å; I25-I371 HydrophobicContact CD1-CD1 4.5Å; I25-I371 HydrophobicContact CD1-CG2 4.14Å; I25-V373 HydrophobicContact CD1-CG2 4.5Å; I25-F394 HydrophobicContact CG2-CE2 3.89Å; I25-F394 HydrophobicContact CG2-CZ 3.92Å
26S88Confident88.4Confident11 Ų1127.9 Ų27.98%0.07716%0.159CC..EExtended strand (participates in β ladder)trans-109110.9163.4173.90000107.7D10 R28 S29 H30 T31D10-S26 VanDerWaalsContact O-CB 3.25Å; D10-S26 WeakPolarHBondContact O-CB 3.42Å; D10-S26 PolarHBondContact O-OG 2.79Å; D10-S26 VanDerWaalsContact O-OG 3.06Å; S26-R28 VanDerWaalsContact C-N 3.33Å; S26-S29 WeakPolarHBondContact CB-OG 3.49Å; S26-S29 PolarHBondContact O-OG 2.89Å; S26-S29 PolarHBondContact OG-OG 3.28Å; S26-H30 WeakPolarHBondContact O-CA 3.25Å; S26-H30 PolarHBondContact O-N 3.12Å; S26-T31 PolarHBondContact N-O 3.22Å; S26-T31 PolarHBondContact O-N 2.95Å
27I83.2Confident88.2Confident1 Ų130 Ų301%0.00517%0.17CC..THydrogen-bonded Turntrans-64.8-41.4-178.6-59.6169.5000109.4D12 I13 I25 H30 F388D12-I27 HydrophobicContact CB-CB 4.36Å; D12-I27 HydrophobicContact CB-CD1 3.87Å; D12-I27 HydrophobicContact CB-CG1 3.81Å; D12-I27 WeakPolarHBondContact OD2-CA 3.43Å; D12-I27 WeakPolarHBondContact OD2-CB 3.49Å; D12-I27 PolarHBondContact OD2-N 3.49Å; I13-I27 HydrophobicContact CD1-CD1 4.12Å; I13-I27 HydrophobicContact CD1-CG1 4.45Å; I13-I27 HydrophobicContact CG1-CD1 4.3Å; I25-I27 HydrophobicContact CG2-CG1 4.38Å; I27-H30 PolarHBondContact O-CE1 3.37Å; I27-H30 VanDerWaalsContact O-CE1 3.22Å; I27-H30 PolarHBondContact O-N 2.92Å; I27-H30 PolarHBondContact O-ND1 3.09Å; I27-F388 HydrophobicContact CD1-CD1 3.7Å; I27-F388 HydrophobicContact CD1-CE1 3.48Å; I27-F388 VanDerWaalsContact CD1-CE1 3.48Å; I27-F388 HydrophobicContact CD1-CZ 4.25Å
28R79.7Confident88Confident149 Ų14931.2 Ų31.256%0.56218%0.176SC*.THydrogen-bonded Turntrans-64.2-44179.6-67.7176.7175.9172.8-3.2112.9D10 D12 S26 H30D10-R28 IonicContact OD2-CZ 2.75Å; D10-R28 IonicContact OD2-NH1 3.77Å; D10-R28 PolarHBondContact OD2-NH1 3.23Å; D12-R28 PolarHBondContact OD2-N 3.3Å; S26-R28 VanDerWaalsContact C-N 3.33Å; R28-H30 VanDerWaalsContact C-N 3.33Å
29S80.3Confident87.8Confident59 Ų5934.6 Ų34.641%0.41319%0.185SC..THydrogen-bonded Turntrans-86.4-5.9-178.8650000113.3S26 T31S26-S29 WeakPolarHBondContact CB-OG 3.49Å; S26-S29 PolarHBondContact O-OG 2.89Å; S26-S29 PolarHBondContact OG-OG 3.28Å; S29-T31 WeakPolarHBondContact O-CG2 3.46Å; S29-T31 PolarHBondContact O-N 3.07Å; S29-T31 PolarHBondContact OG-OG1 2.8Å
30H79.4Confident87.5Confident37 Ų3739.8 Ų39.817%0.17121%0.21CC..THydrogen-bonded Turntrans52.641.3-173.5-57.9-67.8000112.9S26 I27 R28 N390 N393 F394S26-H30 WeakPolarHBondContact O-CA 3.25Å; S26-H30 PolarHBondContact O-N 3.12Å; I27-H30 PolarHBondContact O-CE1 3.37Å; I27-H30 VanDerWaalsContact O-CE1 3.22Å; I27-H30 PolarHBondContact O-N 2.92Å; I27-H30 PolarHBondContact O-ND1 3.09Å; R28-H30 VanDerWaalsContact C-N 3.33Å; H30-N390 PolarHBondContact CE1-O 3.16Å; H30-N393 VanDerWaalsContact CE1-CB 3.46Å; H30-N393 WeakPolarHBondContact CE1-CB 3.35Å; H30-N393 WeakPolarHBondContact NE2-CB 3.41Å; H30-F394 VanDerWaalsContact C-CZ 3.45Å; H30-F394 VanDerWaalsContact CA-CE2 3.43Å; H30-F394 HydrophobicContact CB-CD2 4.2Å; H30-F394 HydrophobicContact CB-CE2 4.15Å; H30-F394 HydrophobicContact CB-CG 4.48Å; H30-F394 HydrophobicContact CB-CZ 4.38Å; H30-F394 AromaticContact ND1-CD2 3.18Å; H30-F394 WeakPolarHBondContact ND1-CD2 3.23Å; H30-F394 AromaticContact ND1-CE2 3.85Å; H30-F394 AromaticContact ND1-CG 3.64Å
31T84.3Confident87.5Confident60 Ų6040.5 Ų40.537%0.36821%0.213SC..EExtended strand (participates in β ladder)trans-118.3140.3-178.663.30000111.8I25 S26 S29I25-T31 WeakPolarHBondContact CA-O 3.37Å; S26-T31 PolarHBondContact N-O 3.22Å; S26-T31 PolarHBondContact O-N 2.95Å; S29-T31 WeakPolarHBondContact O-CG2 3.46Å; S29-T31 PolarHBondContact O-N 3.07Å; S29-T31 PolarHBondContact OG-OG1 2.8Å
32L87.4Confident87.5Confident44 Ų4443 Ų4323%0.2323%0.227CC..EExtended strand (participates in β ladder)trans-109.6113.3166.7174.770.5000106.7L15 K23 G24 I25 K374L15-L32 HydrophobicContact CD1-CD1 4.36Å; K23-L32 HydrophobicContact CB-CD1 4.02Å; K23-L32 HydrophobicContact CD-CD1 4.16Å; K23-L32 HydrophobicContact CD-CD2 4.38Å; K23-L32 HydrophobicContact CD-CG 4.36Å; G24-L32 CarbonylContact O-C 3.54Å; G24-L32 WeakPolarHBondContact O-CA 3.47Å; I25-L32 HydrophobicContact CD1-CD1 4.28Å; I25-L32 HydrophobicContact CG1-CD1 3.54Å; L32-K374 HydrophobicContact CD2-CD 4.49Å; L32-K374 HydrophobicContact CD2-CG 4.42Å
33S88.5Confident87.4Confident32 Ų3242.9 Ų42.922%0.22423%0.227CC..EExtended strand (participates in β ladder)trans-109.5136.118054.20000111.1K23 G24K23-S33 CarbonylContact C-O 3.59Å; K23-S33 WeakPolarHBondContact CA-O 3.28Å; G24-S33 PolarHBondContact N-O 3.15Å; G24-S33 PolarHBondContact O-N 2.84Å; G24-S33 PolarHBondContact O-OG 3.17Å
34P89.3Confident87.3Confident70 Ų7044.2 Ų44.246%0.45524%0.236SC..EExtended strand (participates in β ladder)trans-66.7136.4163.527-29.9000109.5E422P34-E422 WeakPolarHBondContact CB-OE1 3.3Å
35L88.2Confident87.3Confident11 Ų1144.5 Ų44.56%0.05824%0.238CC..EExtended strand (participates in β ladder)trans-100.9-57.1174.2-60.9174.9000110.2L11 V14 L22 L65 Q70L11-L35 HydrophobicContact CD1-CD1 4.02Å; L11-L35 HydrophobicContact CD1-CD2 3.47Å; L11-L35 VanDerWaalsContact CD1-CD2 3.47Å; L11-L35 HydrophobicContact CD1-CG 4.38Å; L11-L35 HydrophobicContact CD2-CD2 4.45Å; V14-L35 HydrophobicContact CG1-CD1 3.93Å; V14-L35 HydrophobicContact CG2-CD1 4.43Å; L22-L35 HydrophobicContact CB-CB 4.32Å; L22-L35 WeakPolarHBondContact O-CB 3.02Å; L22-L35 PolarHBondContact O-N 3.2Å; L35-L65 HydrophobicContact CB-CD2 4.47Å; L35-L65 HydrophobicContact CD1-CD2 3.98Å; L35-Q70 HydrophobicContact CD2-CG 4.34Å
36S88.9Confident87.3Confident32 Ų3244.5 Ų44.522%0.22424%0.238CC..EExtended strand (participates in β ladder)trans-157.5164.1-178.8-163.50000111L22 V72L22-S36 PolarHBondContact N-O 3.15Å; L22-S36 PolarHBondContact O-N 3.38Å; S36-V72 VanDerWaalsContact OG-CG2 3.29Å; S36-V72 WeakPolarHBondContact OG-CG2 3.19Å
37L89.4Confident87.3Confident47 Ų4744 Ų4425%0.24624%0.235CC..EExtended strand (participates in β ladder)trans-134.2123.2175.117062000108.6F21 K39 D425F21-L37 HydrophobicContact CD1-CB 4.32Å; F21-L37 HydrophobicContact CD1-CD1 3.74Å; F21-L37 HydrophobicContact CD1-CD2 4.44Å; F21-L37 HydrophobicContact CD1-CG 4.38Å; F21-L37 HydrophobicContact CD2-CD1 3.9Å; F21-L37 HydrophobicContact CE1-CB 4.47Å; F21-L37 HydrophobicContact CE1-CD1 3.75Å; F21-L37 HydrophobicContact CE1-CD2 3.82Å; F21-L37 HydrophobicContact CE1-CG 4.22Å; F21-L37 HydrophobicContact CE2-CD1 3.9Å; F21-L37 HydrophobicContact CG-CD1 3.81Å; F21-L37 HydrophobicContact CZ-CD1 3.84Å; F21-L37 HydrophobicContact CZ-CD2 4.06Å; L37-K39 HydrophobicContact CD2-CG 4.38Å; L37-K39 HydrophobicContact CG-CG 4.39Å; L37-D425 HydrophobicContact CD2-CB 3.8Å
38I89.9Confident87.4Confident25 Ų2544 Ų4413%0.12823%0.234CC..  trans-109106.2169.1-49.9161.9000107.4G20 N40 E41 F55 Y63 V72G20-I38 WeakPolarHBondContact CA-O 3.32Å; G20-I38 PolarHBondContact O-N 3.42Å; I38-N40 PolarHBondContact O-N 2.81Å; I38-E41 HydrophobicContact CB-CB 4.15Å; I38-E41 HydrophobicContact CB-CG 4.36Å; I38-E41 HydrophobicContact CG2-CB 3.83Å; I38-E41 HydrophobicContact CG2-CG 3.49Å; I38-E41 VanDerWaalsContact CG2-CG 3.49Å; I38-E41 PolarHBondContact O-N 3.21Å; I38-F55 HydrophobicContact CD1-CE2 3.4Å; I38-F55 HydrophobicContact CD1-CZ 3.34Å; I38-Y63 HydrophobicContact CD1-CD1 4.2Å; I38-Y63 HydrophobicContact CD1-CD2 4.29Å; I38-Y63 HydrophobicContact CD1-CE1 4.33Å; I38-Y63 HydrophobicContact CD1-CE2 4.42Å; I38-Y63 HydrophobicContact CD1-CG 4.18Å; I38-V72 HydrophobicContact CD1-CG1 3.74Å; I38-V72 HydrophobicContact CG1-CG1 4.13Å
39K85.8Confident87.5Confident117 Ų11737.6 Ų37.651%0.50921%0.212SC..THydrogen-bonded Turntrans-58.7137.3-176.9-61.4-165.9174.3-149.80110.5L37 E41 D425L37-K39 HydrophobicContact CD2-CG 4.38Å; L37-K39 HydrophobicContact CG-CG 4.39Å; K39-E41 PolarHBondContact O-N 3.31Å; K39-D425 WeakPolarHBondContact CE-OD1 3.36Å; K39-D425 IonicContact NZ-OD1 3.49Å; K39-D425 PolarHBondContact NZ-OD1 3.12Å
40N84.9Confident87.5Confident129 Ų12935.8 Ų35.869%0.6920%0.203SC*.THydrogen-bonded Turntrans62.618.1175.1-55.3-19.4000116I38I38-N40 PolarHBondContact O-N 2.81Å
41E90.3Very high87.5Confident15 Ų1536.7 Ų36.77%0.0721%0.213CC..  trans-109.5117.9175.6-71.9-65.9169.900111.2G20 I38 K39 V43 C57 S59 K61 Y63G20-E41 WeakPolarHBondContact CA-O 3.35Å; G20-E41 PolarHBondContact N-O 3.48Å; I38-E41 HydrophobicContact CB-CB 4.15Å; I38-E41 HydrophobicContact CB-CG 4.36Å; I38-E41 HydrophobicContact CG2-CB 3.83Å; I38-E41 HydrophobicContact CG2-CG 3.49Å; I38-E41 VanDerWaalsContact CG2-CG 3.49Å; I38-E41 PolarHBondContact O-N 3.21Å; K39-E41 PolarHBondContact O-N 3.31Å; E41-V43 PolarHBondContact O-N 3.05Å; E41-C57 WeakPolarHBondContact OE2-CB 3.33Å; E41-S59 PolarHBondContact OE1-OG 2.75Å; E41-S59 VanDerWaalsContact OE2-CB 3.28Å; E41-S59 WeakPolarHBondContact OE2-CB 3.43Å; E41-S59 PolarHBondContact OE2-OG 3.12Å; E41-K61 WeakPolarHBondContact OE1-CD 3.44Å; E41-K61 WeakPolarHBondContact OE1-CE 3.31Å; E41-K61 IonicContact OE1-NZ 2.72Å; E41-K61 PolarHBondContact OE1-NZ 3.01Å; E41-Y63 HydrophobicContact CG-CE2 4.45Å
42N91.8Very high87.6Confident59 Ų5937.7 Ų37.732%0.31621%0.214SC..  trans-86.4109.2176.9179.8-13.3000110S18 S44 C57 C58S18-N42 VanDerWaalsContact CA-OD1 3.26Å; S18-N42 WeakPolarHBondContact CA-OD1 3.43Å; S18-N42 WeakPolarHBondContact O-CA 3.19Å; S18-N42 WeakPolarHBondContact O-CB 3.27Å; N42-S44 PolarHBondContact O-N 2.81Å; N42-C57 CarbonylContact O-C 3.24Å; N42-C57 WeakPolarHBondContact O-CA 3.33Å; N42-C57 WeakPolarHBondContact O-CB 3.14Å; N42-C58 HydrophobicContact CB-CB 4.06Å; N42-C58 VanDerWaalsContact CG-SG 3.58Å; N42-C58 PolarHBondContact O-N 2.92Å
43V92.8Very high87.7Confident0 Ų035.6 Ų35.60%020%0.203CC..EExtended strand (participates in β ladder)trans-69.9121.4177.2-177.30000109.1S17 L22 E41 M46 F55 T378S17-V43 WeakPolarHBondContact O-CB 3.11Å; S17-V43 PolarHBondContact O-N 2.93Å; S17-V43 VanDerWaalsContact O-N 3.14Å; L22-V43 HydrophobicContact CD2-CG2 4.21Å; E41-V43 PolarHBondContact O-N 3.05Å; V43-M46 HydrophobicContact CG1-CG 3.87Å; V43-M46 HydrophobicContact CG1-SD 4.14Å; V43-F55 HydrophobicContact CG1-CB 4.09Å; V43-F55 HydrophobicContact CG1-CD2 4.12Å; V43-F55 HydrophobicContact CG1-CG 4.44Å; V43-F55 HydrophobicContact CG2-CD2 4Å; V43-F55 HydrophobicContact CG2-CE2 4.31Å; V43-T378 WeakPolarHBondContact O-CB 3.34Å; V43-T378 PolarHBondContact O-OG1 3.13Å
44S90.7Very high87.8Confident31 Ų3134.2 Ų34.222%0.21719%0.193CC..EExtended strand (participates in β ladder)trans-102.2-38.6-176.954.70000113N42 G56 V86N42-S44 PolarHBondContact O-N 2.81Å; S44-G56 PolarHBondContact N-O 2.97Å; S44-G56 PolarHBondContact OG-O 3.41Å; S44-V86 VanDerWaalsContact CB-O 3.24Å; S44-V86 WeakPolarHBondContact CB-O 3.38Å; S44-V86 PolarHBondContact OG-O 3.11Å
45T90.3Very high87.9Confident6 Ų630.9 Ų30.94%0.03717%0.171CC..EExtended strand (participates in β ladder)trans-152.1152.4-174.9-174.70000110.6F55 G56 V86 L89T45-F55 CarbonylContact O-C 3.57Å; T45-F55 VanDerWaalsContact O-CA 3.29Å; T45-F55 WeakPolarHBondContact O-CA 3.2Å; T45-F55 WeakPolarHBondContact O-CB 3.43Å; T45-G56 PolarHBondContact O-N 3.09Å; T45-V86 HydrophobicContact CG2-CB 4.42Å; T45-V86 HydrophobicContact CG2-CG1 3.76Å; T45-L89 HydrophobicContact CG2-CB 3.64Å; T45-L89 PolarHBondContact OG1-N 3.03Å; T45-L89 VanDerWaalsContact OG1-N 3.14Å
46M90.8Very high88Confident0 Ų030.3 Ų30.30%017%0.168CC..EExtended strand (participates in β ladder)trans-139.5152.5-176.5-54.5-18066.600109.8V14 G16 L22 V43 V53 L54 F55 L381V14-M46 HydrophobicContact CG1-CE 3.85Å; G16-M46 PolarHBondContact N-SD 2.81Å; G16-M46 VanDerWaalsContact N-SD 3.4Å; L22-M46 HydrophobicContact CD2-CE 4.09Å; V43-M46 HydrophobicContact CG1-CG 3.87Å; V43-M46 HydrophobicContact CG1-SD 4.14Å; M46-V53 HydrophobicContact CE-CG1 3.48Å; M46-V53 VanDerWaalsContact CE-CG1 3.48Å; M46-L54 CarbonylContact C-O 3.56Å; M46-L54 VanDerWaalsContact CA-O 3.3Å; M46-L54 WeakPolarHBondContact CA-O 3.33Å; M46-F55 HydrophobicContact CB-CB 4.28Å; M46-F55 HydrophobicContact CE-CB 4.39Å; M46-F55 HydrophobicContact CG-CB 3.72Å; M46-L381 HydrophobicContact CB-CD1 3.82Å; M46-L381 HydrophobicContact CB-CD2 4.26Å; M46-L381 HydrophobicContact CB-CG 3.86Å
47C87.3Confident88.1Confident1 Ų128.8 Ų28.81%0.00716%0.158CC..EExtended strand (participates in β ladder)trans-150.5151.4170.5-160.40000110.6L54 L89 S91C47-L54 PolarHBondContact N-O 2.73Å; C47-L54 PolarHBondContact O-N 3.48Å; C47-L54 VanDerWaalsContact O-O 3.1Å; C47-L89 HydrophobicContact CB-CB 4.37Å; C47-L89 HydrophobicContact CB-CD2 4.15Å; C47-L89 HydrophobicContact CB-CG 3.98Å; C47-S91 PolarHBondContact SG-N 2.8Å; C47-S91 PolarHBondContact SG-OG 2.9Å
48W85.7Confident88.1Confident0 Ų028.8 Ų28.80%016%0.161CC..EExtended strand (participates in β ladder)trans-75.2147.2170.2-73.8113.9000110.6V14 V53 T67 S91 F337 L381 V382V14-W48 HydrophobicContact CG2-CH2 3.66Å; V14-W48 HydrophobicContact CG2-CZ2 3.87Å; W48-V53 HydrophobicContact CD2-CG2 4.09Å; W48-V53 HydrophobicContact CE3-CG2 3.43Å; W48-V53 VanDerWaalsContact CE3-CG2 3.43Å; W48-V53 HydrophobicContact CH2-CG2 3.53Å; W48-V53 HydrophobicContact CZ2-CG2 4.19Å; W48-V53 HydrophobicContact CZ3-CG2 3.13Å; W48-T67 HydrophobicContact CH2-CG2 4.03Å; W48-T67 HydrophobicContact CZ3-CG2 3.84Å; W48-S91 WeakPolarHBondContact O-CB 3.34Å; W48-S91 PolarHBondContact O-OG 3Å; W48-F337 HydrophobicContact CB-CB 3.5Å; W48-F337 HydrophobicContact CB-CD1 4.17Å; W48-F337 HydrophobicContact CB-CG 4.09Å; W48-F337 HydrophobicContact CG-CB 4.2Å; W48-L381 HydrophobicContact CD2-CD1 4.19Å; W48-L381 HydrophobicContact CG-CD1 4.09Å; W48-L381 HydrophobicContact CZ2-CB 4.33Å; W48-V382 PolarHBondContact NE1-O 2.72Å
49C82.1Confident88Confident15 Ų1529 Ų2910%0.10117%0.165CC..EExtended strand (participates in β ladder)trans-141.190172.2-174.40000108.3S51 E52 L54C49-S51 PolarHBondContact O-N 2.9Å; C49-E52 PolarHBondContact N-O 3.48Å; C49-E52 PolarHBondContact O-N 2.78Å; C49-E52 VanDerWaalsContact O-N 3.15Å; C49-L54 HydrophobicContact CB-CD1 3.53Å; C49-L54 HydrophobicContact CB-CD2 4.47Å; C49-L54 HydrophobicContact CB-CG 3.63Å
50G79Confident88Confident20 Ų2023.5 Ų23.521%0.20614%0.141CC..THydrogen-bonded Turntrans61.7-122.7-166.900000110.6F337G50-F337 WeakPolarHBondContact O-CD1 3.4Å; G50-F337 WeakPolarHBondContact O-CE1 3.39Å
51S80.3Confident88.1Confident57 Ų5719.7 Ų19.740%0.39912%0.118SC..THydrogen-bonded Turntrans-87.5-8.3177.455.60000114.7C49 T67C49-S51 PolarHBondContact O-N 2.9Å; S51-T67 PolarHBondContact O-OG1 3.44Å
52E87.1Confident88.1Confident80 Ų8019 Ų1937%0.37412%0.115SC..EExtended strand (participates in β ladder)trans-96.5157-178.5-61.8-173.8172.300111C49 S64 L65C49-E52 PolarHBondContact N-O 3.48Å; C49-E52 PolarHBondContact O-N 2.78Å; C49-E52 VanDerWaalsContact O-N 3.15Å; E52-S64 PolarHBondContact OE2-OG 3.02Å; E52-L65 WeakPolarHBondContact CA-O 3.35Å
53V89.3Confident88.1Confident0 Ų017.3 Ų17.30%010%0.104CC..EExtended strand (participates in β ladder)trans-108.2118.8173.31760000108.6V14 M46 W48 S64 L65 T67 L381V14-V53 HydrophobicContact CB-CG2 4.49Å; V14-V53 HydrophobicContact CG1-CG1 4.49Å; V14-V53 HydrophobicContact CG1-CG2 4.32Å; V14-V53 HydrophobicContact CG2-CG2 4.29Å; M46-V53 HydrophobicContact CE-CG1 3.48Å; M46-V53 VanDerWaalsContact CE-CG1 3.48Å; W48-V53 HydrophobicContact CD2-CG2 4.09Å; W48-V53 HydrophobicContact CE3-CG2 3.43Å; W48-V53 VanDerWaalsContact CE3-CG2 3.43Å; W48-V53 HydrophobicContact CH2-CG2 3.53Å; W48-V53 HydrophobicContact CZ2-CG2 4.19Å; W48-V53 HydrophobicContact CZ3-CG2 3.13Å; V53-S64 CarbonylContact O-C 3.56Å; V53-L65 HydrophobicContact CB-CB 4.23Å; V53-L65 HydrophobicContact CB-CD2 4.39Å; V53-L65 PolarHBondContact N-O 2.86Å; V53-L65 PolarHBondContact O-N 2.87Å; V53-T67 HydrophobicContact CG2-CG2 3.8Å; V53-L381 HydrophobicContact CG1-CD1 3.76Å; V53-L381 HydrophobicContact CG2-CD1 4.42Å
54L90Very high88Confident3 Ų317.4 Ų17.42%0.01611%0.105CC..EExtended strand (participates in β ladder)trans-89.4140.2169.3-58.3178.6000109.6M46 C47 C49 Y63 I75 L89 I98 L114M46-L54 CarbonylContact C-O 3.56Å; M46-L54 VanDerWaalsContact CA-O 3.3Å; M46-L54 WeakPolarHBondContact CA-O 3.33Å; C47-L54 PolarHBondContact N-O 2.73Å; C47-L54 PolarHBondContact O-N 3.48Å; C47-L54 VanDerWaalsContact O-O 3.1Å; C49-L54 HydrophobicContact CB-CD1 3.53Å; C49-L54 HydrophobicContact CB-CD2 4.47Å; C49-L54 HydrophobicContact CB-CG 3.63Å; L54-Y63 WeakPolarHBondContact CA-O 3.26Å; L54-I75 HydrophobicContact CD2-CD1 3.38Å; L54-L89 HydrophobicContact CB-CD2 3.64Å; L54-L89 WeakPolarHBondContact O-CD2 3.33Å; L54-I98 HydrophobicContact CD1-CD1 3.38Å; L54-I98 HydrophobicContact CD1-CG1 4.01Å; L54-L114 HydrophobicContact CD1-CD1 4.05Å; L54-L114 HydrophobicContact CD2-CD1 4.06Å
55F91.2Very high88Confident0 Ų015.9 Ų15.90%010%0.095CC..EExtended strand (participates in β ladder)trans-145.2141.1174.362.5-84.2000112.1L22 I38 V43 T45 M46 Y63 L65 V72L22-F55 HydrophobicContact CD1-CD1 4.29Å; L22-F55 HydrophobicContact CD1-CE1 3.62Å; L22-F55 HydrophobicContact CD1-CE2 4.27Å; L22-F55 HydrophobicContact CD1-CZ 3.6Å; I38-F55 HydrophobicContact CD1-CE2 3.4Å; I38-F55 HydrophobicContact CD1-CZ 3.34Å; V43-F55 HydrophobicContact CG1-CB 4.09Å; V43-F55 HydrophobicContact CG1-CD2 4.12Å; V43-F55 HydrophobicContact CG1-CG 4.44Å; V43-F55 HydrophobicContact CG2-CD2 4Å; V43-F55 HydrophobicContact CG2-CE2 4.31Å; T45-F55 CarbonylContact O-C 3.57Å; T45-F55 VanDerWaalsContact O-CA 3.29Å; T45-F55 WeakPolarHBondContact O-CA 3.2Å; T45-F55 WeakPolarHBondContact O-CB 3.43Å; M46-F55 HydrophobicContact CB-CB 4.28Å; M46-F55 HydrophobicContact CE-CB 4.39Å; M46-F55 HydrophobicContact CG-CB 3.72Å; F55-Y63 HydrophobicContact CD2-CD2 4.37Å; F55-Y63 VanDerWaalsContact CE2-CB 3.48Å; F55-Y63 AromaticContact CE2-CD2 3.69Å; F55-Y63 HydrophobicContact CE2-CD2 3.69Å; F55-Y63 AromaticContact CE2-CG 3.79Å; F55-Y63 HydrophobicContact CE2-CG 3.79Å; F55-Y63 HydrophobicContact CZ-CD2 4.15Å; F55-Y63 AromaticContact CZ-CG 3.74Å; F55-Y63 HydrophobicContact CZ-CG 3.74Å; F55-Y63 PolarHBondContact N-O 2.84Å; F55-Y63 PolarHBondContact O-N 3.4Å; F55-L65 HydrophobicContact CD1-CB 4.45Å; F55-L65 HydrophobicContact CE1-CB 3.97Å; F55-V72 HydrophobicContact CE1-CG1 4.3Å; F55-V72 HydrophobicContact CZ-CG1 3.83Å
56G90.2Very high87.9Confident0 Ų017.3 Ų17.30%010%0.102CC..EExtended strand (participates in β ladder)trans-98.9148.917600000111S44 T45 K61S44-G56 PolarHBondContact N-O 2.97Å; S44-G56 PolarHBondContact OG-O 3.41Å; T45-G56 PolarHBondContact O-N 3.09Å; G56-K61 WeakPolarHBondContact CA-O 3.23Å
57C91.1Very high87.6Confident0 Ų017.5 Ų17.50%010%0.103CC..EExtended strand (participates in β ladder)trans-113.8159.5177.4-63.60000111.8E41 N42 S59 G60 K61 V86E41-C57 WeakPolarHBondContact OE2-CB 3.33Å; N42-C57 CarbonylContact O-C 3.24Å; N42-C57 WeakPolarHBondContact O-CA 3.33Å; N42-C57 WeakPolarHBondContact O-CB 3.14Å; C57-S59 PolarHBondContact O-N 2.83Å; C57-S59 VanDerWaalsContact O-N 3.16Å; C57-G60 PolarHBondContact O-N 2.83Å; C57-K61 PolarHBondContact N-O 3.19Å; C57-V86 PolarHBondContact O-N 3.25Å
58C89.2Confident87.4Confident47 Ų4723.6 Ų23.632%0.31813%0.13SC..THydrogen-bonded Turntrans-62.8-17.6174.2-670000113.8N42 G60 S85N42-C58 HydrophobicContact CB-CB 4.06Å; N42-C58 VanDerWaalsContact CG-SG 3.58Å; N42-C58 PolarHBondContact O-N 2.92Å; C58-G60 PolarHBondContact O-N 2.83Å; C58-S85 WeakPolarHBondContact CA-OG 3.08Å; C58-S85 WeakPolarHBondContact O-CA 3.26Å; C58-S85 WeakPolarHBondContact O-CB 3.27Å
59S87.6Confident87.4Confident30 Ų3026.8 Ų26.821%0.2115%0.152CC..THydrogen-bonded Turntrans-77.4-2.9174.162.20000114.3E41 C57 K61 S79 D84E41-S59 PolarHBondContact OE1-OG 2.75Å; E41-S59 VanDerWaalsContact OE2-CB 3.28Å; E41-S59 WeakPolarHBondContact OE2-CB 3.43Å; E41-S59 PolarHBondContact OE2-OG 3.12Å; C57-S59 PolarHBondContact O-N 2.83Å; C57-S59 VanDerWaalsContact O-N 3.16Å; S59-K61 VanDerWaalsContact C-N 3.32Å; S59-S79 WeakPolarHBondContact O-CB 3.45Å; S59-S79 PolarHBondContact O-OG 2.91Å; S59-D84 CarbonylContact C-O 3.16Å
60G86.1Confident87.5Confident0 Ų030.4 Ų30.40%017%0.167CC..SBendtrans81.110.1-176.800000114.1C57 C58 F78 D84C57-G60 PolarHBondContact O-N 2.83Å; C58-G60 PolarHBondContact O-N 2.83Å; G60-F78 PolarHBondContact O-N 3.25Å; G60-D84 WeakPolarHBondContact CA-O 3.29Å; G60-D84 PolarHBondContact N-O 3.35Å; G60-D84 VanDerWaalsContact N-O 3.09Å
61K88.2Confident87.9Confident50 Ų5032 Ų3222%0.21718%0.175CC..EExtended strand (participates in β ladder)trans-90147175.7-63.6178.1-165.4160.70111.6E41 G56 C57 S59 Y63 L74 Q77E41-K61 WeakPolarHBondContact OE1-CD 3.44Å; E41-K61 WeakPolarHBondContact OE1-CE 3.31Å; E41-K61 IonicContact OE1-NZ 2.72Å; E41-K61 PolarHBondContact OE1-NZ 3.01Å; G56-K61 WeakPolarHBondContact CA-O 3.23Å; C57-K61 PolarHBondContact N-O 3.19Å; S59-K61 VanDerWaalsContact C-N 3.32Å; K61-Y63 HydrophobicContact CB-CD2 4.27Å; K61-Y63 HydrophobicContact CB-CE2 3.57Å; K61-Y63 HydrophobicContact CD-CE2 4.23Å; K61-Y63 WeakPolarHBondContact CD-OH 3.48Å; K61-L74 HydrophobicContact CB-CD1 3.95Å; K61-L74 HydrophobicContact CD-CD1 4.29Å; K61-L74 HydrophobicContact CG-CD1 4.29Å; K61-Q77 HydrophobicContact CG-CB 4.27Å; K61-Q77 HydrophobicContact CG-CG 3.97Å
62L89.3Confident88.4Confident0 Ų031.3 Ų31.30%017%0.168CC..EExtended strand (participates in β ladder)trans-120.5127.9176.6-17873.3000109.5I75 K76 F78 L89 L114L62-I75 HydrophobicContact CG-CD1 4.43Å; L62-I75 PolarHBondContact O-N 2.75Å; L62-K76 PolarHBondContact N-O 3.41Å; L62-K76 PolarHBondContact O-N 2.97Å; L62-F78 HydrophobicContact CB-CE2 3.89Å; L62-F78 HydrophobicContact CD2-CE2 4.13Å; L62-F78 HydrophobicContact CD2-CZ 4.39Å; L62-L89 HydrophobicContact CD1-CD1 3.78Å; L62-L89 HydrophobicContact CD1-CD2 3.82Å; L62-L89 HydrophobicContact CD1-CG 4.5Å; L62-L114 HydrophobicContact CD2-CD1 3.9Å; L62-L114 HydrophobicContact CD2-CD2 3.96Å
63Y91.2Very high88.6Confident23 Ų2331.2 Ų31.29%0.0917%0.173CC..EExtended strand (participates in β ladder)trans-122.2153.4-177.8-67.1-90.7000111.2I38 E41 L54 F55 K61 V72 T73 L74I38-Y63 HydrophobicContact CD1-CD1 4.2Å; I38-Y63 HydrophobicContact CD1-CD2 4.29Å; I38-Y63 HydrophobicContact CD1-CE1 4.33Å; I38-Y63 HydrophobicContact CD1-CE2 4.42Å; I38-Y63 HydrophobicContact CD1-CG 4.18Å; E41-Y63 HydrophobicContact CG-CE2 4.45Å; L54-Y63 WeakPolarHBondContact CA-O 3.26Å; F55-Y63 HydrophobicContact CD2-CD2 4.37Å; F55-Y63 VanDerWaalsContact CE2-CB 3.48Å; F55-Y63 AromaticContact CE2-CD2 3.69Å; F55-Y63 HydrophobicContact CE2-CD2 3.69Å; F55-Y63 AromaticContact CE2-CG 3.79Å; F55-Y63 HydrophobicContact CE2-CG 3.79Å; F55-Y63 HydrophobicContact CZ-CD2 4.15Å; F55-Y63 AromaticContact CZ-CG 3.74Å; F55-Y63 HydrophobicContact CZ-CG 3.74Å; F55-Y63 PolarHBondContact N-O 2.84Å; F55-Y63 PolarHBondContact O-N 3.4Å; K61-Y63 HydrophobicContact CB-CD2 4.27Å; K61-Y63 HydrophobicContact CB-CE2 3.57Å; K61-Y63 HydrophobicContact CD-CE2 4.23Å; K61-Y63 WeakPolarHBondContact CD-OH 3.48Å; Y63-V72 HydrophobicContact CD1-CG1 3.76Å; Y63-V72 HydrophobicContact CG-CG1 4.25Å; Y63-T73 CarbonylContact C-O 3.55Å; Y63-T73 WeakPolarHBondContact CA-O 3.37Å; Y63-L74 HydrophobicContact CD1-CB 3.95Å; Y63-L74 HydrophobicContact CD1-CD1 3.99Å; Y63-L74 HydrophobicContact CD2-CD1 4.43Å; Y63-L74 HydrophobicContact CE1-CB 3.75Å; Y63-L74 HydrophobicContact CE1-CD1 3.63Å; Y63-L74 HydrophobicContact CE1-CG 4.25Å; Y63-L74 HydrophobicContact CE2-CD1 4.1Å; Y63-L74 HydrophobicContact CG-CD1 4.38Å
64S90.8Very high88.7Confident2 Ų235.7 Ų35.71%0.01420%0.197CC..EExtended strand (participates in β ladder)trans-110135.8165.5-172.50000109.1E52 V53 V72 T73E52-S64 PolarHBondContact OE2-OG 3.02Å; V53-S64 CarbonylContact O-C 3.56Å; S64-V72 CarbonylContact O-C 3.55Å; S64-V72 WeakPolarHBondContact O-CA 3.47Å; S64-T73 PolarHBondContact N-O 2.97Å; S64-T73 PolarHBondContact O-N 2.84Å; S64-T73 PolarHBondContact O-OG1 2.95Å
65L91.1Very high88.5Confident0 Ų038.1 Ų38.10%021%0.209CC..EExtended strand (participates in β ladder)trans-110.8117.6169.1170.475.6000108.1V14 L22 L35 E52 V53 F55 T67 S71 V72V14-L65 HydrophobicContact CG1-CD2 4.37Å; L22-L65 HydrophobicContact CD1-CD1 4.43Å; L22-L65 HydrophobicContact CD1-CD2 4.17Å; L35-L65 HydrophobicContact CB-CD2 4.47Å; L35-L65 HydrophobicContact CD1-CD2 3.98Å; E52-L65 WeakPolarHBondContact CA-O 3.35Å; V53-L65 HydrophobicContact CB-CB 4.23Å; V53-L65 HydrophobicContact CB-CD2 4.39Å; V53-L65 PolarHBondContact N-O 2.86Å; V53-L65 PolarHBondContact O-N 2.87Å; F55-L65 HydrophobicContact CD1-CB 4.45Å; F55-L65 HydrophobicContact CE1-CB 3.97Å; L65-T67 PolarHBondContact O-N 2.86Å; L65-S71 WeakPolarHBondContact CA-O 3.39Å; L65-V72 HydrophobicContact CB-CG2 4.38Å; L65-V72 HydrophobicContact CD1-CG2 3.54Å
66D89.1Confident88.2Confident36 Ų3640.8 Ų40.819%0.19322%0.221CC..EExtended strand (participates in β ladder)trans-78.5115.9162.5173.418.7000108.8K68 S69 Q70 S71D66-K68 PolarHBondContact O-N 3.09Å; D66-K68 PolarHBondContact OD1-N 2.83Å; D66-S69 VanDerWaalsContact CB-OG 3.32Å; D66-S69 WeakPolarHBondContact CB-OG 3.18Å; D66-S69 VanDerWaalsContact CG-OG 3.25Å; D66-S69 WeakPolarHBondContact OD2-CB 3.49Å; D66-S69 PolarHBondContact OD2-N 3.25Å; D66-S69 VanDerWaalsContact OD2-N 3.13Å; D66-S69 PolarHBondContact OD2-OG 3.44Å; D66-Q70 VanDerWaalsContact O-CA 3.25Å; D66-Q70 WeakPolarHBondContact O-CA 3.4Å; D66-Q70 PolarHBondContact O-N 2.88Å; D66-S71 PolarHBondContact N-O 3.34Å
67T82.9Confident87.9Confident3 Ų346.4 Ų46.42%0.01825%0.247CC..THydrogen-bonded Turntrans-64.6-23.7-177.853.30000113.3W48 S51 V53 L65W48-T67 HydrophobicContact CH2-CG2 4.03Å; W48-T67 HydrophobicContact CZ3-CG2 3.84Å; S51-T67 PolarHBondContact O-OG1 3.44Å; V53-T67 HydrophobicContact CG2-CG2 3.8Å; L65-T67 PolarHBondContact O-N 2.86Å
68K85Confident87.2Confident130 Ų13046.8 Ų46.857%0.56525%0.249SC*.THydrogen-bonded Turntrans-86.3-51.8-178.8-64.4178-177.4173.80112.2D66 Q70D66-K68 PolarHBondContact O-N 3.09Å; D66-K68 PolarHBondContact OD1-N 2.83Å; K68-Q70 VanDerWaalsContact C-N 3.26Å
69S84.2Confident86.1Confident66 Ų6645.9 Ų45.946%0.46224%0.243SC..THydrogen-bonded Turntrans-79.2-10.6178.364.20000113.4D66 S71D66-S69 VanDerWaalsContact CB-OG 3.32Å; D66-S69 WeakPolarHBondContact CB-OG 3.18Å; D66-S69 VanDerWaalsContact CG-OG 3.25Å; D66-S69 WeakPolarHBondContact OD2-CB 3.49Å; D66-S69 PolarHBondContact OD2-N 3.25Å; D66-S69 VanDerWaalsContact OD2-N 3.13Å; D66-S69 PolarHBondContact OD2-OG 3.44Å; S69-S71 PolarHBondContact O-N 3.46Å; S69-S71 WeakPolarHBondContact OG-CB 3.4Å; S69-S71 PolarHBondContact OG-N 2.82Å; S69-S71 PolarHBondContact OG-OG 3.07Å
70Q84.6Confident84.8Confident92 Ų9253 Ų5343%0.4327%0.27SS..  trans5518.3-172.5-60.5-177.6-2300112.9L35 D66 K68L35-Q70 HydrophobicContact CD2-CG 4.34Å; D66-Q70 VanDerWaalsContact O-CA 3.25Å; D66-Q70 WeakPolarHBondContact O-CA 3.4Å; D66-Q70 PolarHBondContact O-N 2.88Å; K68-Q70 VanDerWaalsContact C-N 3.26Å
71S87.5Confident83.6Confident54 Ų5456.1 Ų56.138%0.37829%0.292SS..  trans-85.3137.5179.170.10000109.8L65 D66 S69L65-S71 WeakPolarHBondContact CA-O 3.39Å; D66-S71 PolarHBondContact N-O 3.34Å; S69-S71 PolarHBondContact O-N 3.46Å; S69-S71 WeakPolarHBondContact OG-CB 3.4Å; S69-S71 PolarHBondContact OG-N 2.82Å; S69-S71 PolarHBondContact OG-OG 3.07Å
72V91.4Very high82.4Confident41 Ų4163 Ų6325%0.24833%0.325CS..EExtended strand (participates in β ladder)trans-111.4128.21771760000108.3L22 S36 I38 F55 Y63 S64 L65L22-V72 HydrophobicContact CD1-CG2 4.14Å; S36-V72 VanDerWaalsContact OG-CG2 3.29Å; S36-V72 WeakPolarHBondContact OG-CG2 3.19Å; I38-V72 HydrophobicContact CD1-CG1 3.74Å; I38-V72 HydrophobicContact CG1-CG1 4.13Å; F55-V72 HydrophobicContact CE1-CG1 4.3Å; F55-V72 HydrophobicContact CZ-CG1 3.83Å; Y63-V72 HydrophobicContact CD1-CG1 3.76Å; Y63-V72 HydrophobicContact CG-CG1 4.25Å; S64-V72 CarbonylContact O-C 3.55Å; S64-V72 WeakPolarHBondContact O-CA 3.47Å; L65-V72 HydrophobicContact CB-CG2 4.38Å; L65-V72 HydrophobicContact CD1-CG2 3.54Å
73T91.3Very high81.5Confident78 Ų7871.3 Ų71.348%0.47936%0.364SS..EExtended strand (participates in β ladder)trans-119.2134.9178.958.50000109.9Y63 S64Y63-T73 CarbonylContact C-O 3.55Å; Y63-T73 WeakPolarHBondContact CA-O 3.37Å; S64-T73 PolarHBondContact N-O 2.97Å; S64-T73 PolarHBondContact O-N 2.84Å; S64-T73 PolarHBondContact O-OG1 2.95Å
74L90.2Very high81Confident94 Ų9470.5 Ų70.549%0.49236%0.361SS..EExtended strand (participates in β ladder)trans-78.8122.7171.2176.867.8000108.3K61 Y63K61-L74 HydrophobicContact CB-CD1 3.95Å; K61-L74 HydrophobicContact CD-CD1 4.29Å; K61-L74 HydrophobicContact CG-CD1 4.29Å; Y63-L74 HydrophobicContact CD1-CB 3.95Å; Y63-L74 HydrophobicContact CD1-CD1 3.99Å; Y63-L74 HydrophobicContact CD2-CD1 4.43Å; Y63-L74 HydrophobicContact CE1-CB 3.75Å; Y63-L74 HydrophobicContact CE1-CD1 3.63Å; Y63-L74 HydrophobicContact CE1-CG 4.25Å; Y63-L74 HydrophobicContact CE2-CD1 4.1Å; Y63-L74 HydrophobicContact CG-CD1 4.38Å
75I85.5Confident80.7Confident54 Ų5471.5 Ų71.528%0.27737%0.368SS..EExtended strand (participates in β ladder)trans-96.8-51.8-177-51.9169000110.9L54 L62 L114L54-I75 HydrophobicContact CD2-CD1 3.38Å; L62-I75 HydrophobicContact CG-CD1 4.43Å; L62-I75 PolarHBondContact O-N 2.75Å; I75-L114 HydrophobicContact CB-CD1 4.29Å; I75-L114 HydrophobicContact CD1-CD1 3.33Å; I75-L114 HydrophobicContact CG1-CD1 4.35Å; I75-L114 HydrophobicContact CG2-CB 3.83Å; I75-L114 HydrophobicContact CG2-CD1 3.56Å; I75-L114 HydrophobicContact CG2-CG 4.29Å
76K85.4Confident80.6Confident57 Ų5771.5 Ų71.525%0.24837%0.368CS..EExtended strand (participates in β ladder)trans-147.2151.8-178.9-74.2-163.3179.9-175.90111.6L62 F78 F110 L114L62-K76 PolarHBondContact N-O 3.41Å; L62-K76 PolarHBondContact O-N 2.97Å; K76-F78 HydrophobicContact CB-CD1 4.49Å; K76-F78 HydrophobicContact CB-CE1 3.83Å; K76-F78 HydrophobicContact CB-CE2 4Å; K76-F78 HydrophobicContact CB-CZ 3.57Å; K76-F78 HydrophobicContact CD-CE1 3.61Å; K76-F78 HydrophobicContact CD-CZ 3.73Å; K76-F78 HydrophobicContact CG-CE1 4.33Å; K76-F78 HydrophobicContact CG-CZ 4.22Å; K76-F110 HydrophobicContact CD-CE1 4.17Å; K76-F110 HydrophobicContact CD-CZ 4.42Å; K76-L114 WeakPolarHBondContact CE-O 3.43Å; K76-L114 PolarHBondContact NZ-O 3.22Å; K76-L114 VanDerWaalsContact NZ-O 3.15Å
77Q84.4Confident80.5Confident118 Ų11871.5 Ų71.555%0.55137%0.369SS*.EExtended strand (participates in β ladder)trans-120.9122.2167.2179.9170-9.800108.2K61 S79K61-Q77 HydrophobicContact CG-CB 4.27Å; K61-Q77 HydrophobicContact CG-CG 3.97Å; Q77-S79 WeakPolarHBondContact CG-OG 3.13Å; Q77-S79 PolarHBondContact NE2-OG 2.68Å
78F75.7Confident80.6Confident8 Ų871.5 Ų71.54%0.03537%0.369CS..  trans-103.8-19.3-174.8-61.1-62.5000113.4G60 L62 K76 K80 H102 F110G60-F78 PolarHBondContact O-N 3.25Å; L62-F78 HydrophobicContact CB-CE2 3.89Å; L62-F78 HydrophobicContact CD2-CE2 4.13Å; L62-F78 HydrophobicContact CD2-CZ 4.39Å; K76-F78 HydrophobicContact CB-CD1 4.49Å; K76-F78 HydrophobicContact CB-CE1 3.83Å; K76-F78 HydrophobicContact CB-CE2 4Å; K76-F78 HydrophobicContact CB-CZ 3.57Å; K76-F78 HydrophobicContact CD-CE1 3.61Å; K76-F78 HydrophobicContact CD-CZ 3.73Å; K76-F78 HydrophobicContact CG-CE1 4.33Å; K76-F78 HydrophobicContact CG-CZ 4.22Å; F78-K80 PolarHBondContact O-N 2.86Å; F78-H102 WeakPolarHBondContact CB-CE1 3.18Å; F78-H102 AromaticContact CD2-CE1 3.54Å; F78-H102 AromaticContact CD2-NE2 3.59Å; F78-H102 AromaticContact CG-CE1 3.6Å; F78-H102 AromaticContact CG-NE2 3.59Å; F78-F110 HydrophobicContact CD1-CZ 4.36Å; F78-F110 HydrophobicContact CE1-CE1 4.11Å; F78-F110 AromaticContact CE1-CE2 3.81Å; F78-F110 HydrophobicContact CE1-CE2 3.81Å; F78-F110 AromaticContact CE1-CZ 3.25Å; F78-F110 HydrophobicContact CE1-CZ 3.25Å; F78-F110 HydrophobicContact CE2-CE2 4.42Å; F78-F110 HydrophobicContact CZ-CD2 4.48Å; F78-F110 HydrophobicContact CZ-CE1 4.38Å; F78-F110 AromaticContact CZ-CE2 3.46Å; F78-F110 HydrophobicContact CZ-CE2 3.46Å; F78-F110 VanDerWaalsContact CZ-CE2 3.46Å; F78-F110 AromaticContact CZ-CZ 3.42Å; F78-F110 HydrophobicContact CZ-CZ 3.42Å; F78-F110 VanDerWaalsContact CZ-CZ 3.42Å
79S66.4Low80.7Confident28 Ų2865.3 Ų65.320%0.19634%0.342CS..  trans-59118.7-17737.30000111.1S59 Q77 S81S59-S79 WeakPolarHBondContact O-CB 3.45Å; S59-S79 PolarHBondContact O-OG 2.91Å; Q77-S79 WeakPolarHBondContact CG-OG 3.13Å; Q77-S79 PolarHBondContact NE2-OG 2.68Å; S79-S81 WeakPolarHBondContact CB-O 3.17Å
80K60.6Low80.7Confident180 Ų18062.4 Ų62.478%0.78332%0.322SS*.SBendtrans-82.5-21.6159.7-67.8177.7-180168.30111.2F78F78-K80 PolarHBondContact O-N 2.86Å
81S61.5Low80.4Confident65 Ų6558.6 Ų58.646%0.45531%0.305SS..SBendtrans-142.3152.8-175.453.90000110.3S79 E83 D84S79-S81 WeakPolarHBondContact CB-O 3.17Å; S81-E83 PolarHBondContact O-N 3.45Å; S81-E83 VanDerWaalsContact O-N 3.12Å; S81-D84 PolarHBondContact O-N 2.91Å
82E62.3Low79.7Confident193 Ų19356.8 Ų56.890%0.90229%0.29SS*.THydrogen-bonded Turntrans-62.6-17.7-179.3-63.5-174167.500113.9
83E70.2Confident78.3Confident176 Ų17658.9 Ų58.982%0.82230%0.3SS*.THydrogen-bonded Turntrans-89.3-3-177.6-58.7-171.4162.600114.8S81 S103S81-E83 PolarHBondContact O-N 3.45Å; S81-E83 VanDerWaalsContact O-N 3.12Å; E83-S103 PolarHBondContact O-OG 2.88Å; E83-S103 VanDerWaalsContact O-OG 3.1Å
84D80.3Confident76.4Confident5 Ų563.4 Ų63.43%0.02731%0.313CS..  trans-90.1111.8-174.4-160.917.3000112.8S59 G60 S81 H102 S103 S104S59-D84 CarbonylContact C-O 3.16Å; G60-D84 WeakPolarHBondContact CA-O 3.29Å; G60-D84 PolarHBondContact N-O 3.35Å; G60-D84 VanDerWaalsContact N-O 3.09Å; S81-D84 PolarHBondContact O-N 2.91Å; D84-H102 VanDerWaalsContact OD1-CB 3.22Å; D84-H102 WeakPolarHBondContact OD1-CB 3.25Å; D84-H102 IonicContact OD1-CG 3.66Å; D84-H102 IonicContact OD1-ND1 2.84Å; D84-H102 WeakPolarHBondContact OD2-CB 2.93Å; D84-H102 IonicContact OD2-CG 3.87Å; D84-H102 IonicContact OD2-ND1 2.66Å; D84-H102 PolarHBondContact OD2-ND1 3.15Å; D84-S103 PolarHBondContact OD1-N 2.89Å; D84-S103 VanDerWaalsContact OD1-N 3.1Å; D84-S103 PolarHBondContact OD1-OG 3.45Å; D84-S104 VanDerWaalsContact CG-OG 3.25Å; D84-S104 WeakPolarHBondContact OD1-CB 3.25Å; D84-S104 PolarHBondContact OD1-N 2.88Å; D84-S104 PolarHBondContact OD1-OG 2.79Å; D84-S104 VanDerWaalsContact OD1-OG 3.12Å; D84-S104 PolarHBondContact OD2-OG 3.36Å
85S85.9Confident74.3Confident23 Ų2361.1 Ų61.116%0.16130%0.301CS..  trans-107.5142.8-172.6170.40000111.7C58 V87 H102 S103C58-S85 WeakPolarHBondContact CA-OG 3.08Å; C58-S85 WeakPolarHBondContact O-CA 3.26Å; C58-S85 WeakPolarHBondContact O-CB 3.27Å; S85-V87 PolarHBondContact O-N 2.96Å; S85-H102 VanDerWaalsContact O-CA 3.32Å; S85-H102 WeakPolarHBondContact O-CA 3.36Å; S85-S103 PolarHBondContact N-OG 3.07Å; S85-S103 PolarHBondContact O-N 2.84Å; S85-S103 VanDerWaalsContact O-N 3.07Å
86V88Confident72.6Confident0 Ų061.3 Ų61.30%031%0.305CS..EExtended strand (participates in β ladder)trans-73.9112.8170.2-171.70000109.1S44 T45 C57 A101S44-V86 VanDerWaalsContact CB-O 3.24Å; S44-V86 WeakPolarHBondContact CB-O 3.38Å; S44-V86 PolarHBondContact OG-O 3.11Å; T45-V86 HydrophobicContact CG2-CB 4.42Å; T45-V86 HydrophobicContact CG2-CG1 3.76Å; C57-V86 PolarHBondContact O-N 3.25Å; V86-A101 CarbonylContact C-O 3.53Å
87V86.5Confident71.1Confident36 Ų3659.5 Ų59.522%0.21830%0.297CS..EExtended strand (participates in β ladder)trans-88.9-41.1-173.1176.30000112.5S85 A101 I127 C128S85-V87 PolarHBondContact O-N 2.96Å; V87-A101 HydrophobicContact CB-CB 4.34Å; V87-A101 WeakPolarHBondContact CB-O 3.37Å; V87-A101 PolarHBondContact N-O 3.11Å; V87-I127 HydrophobicContact CG1-CG2 4.39Å; V87-C128 WeakPolarHBondContact CG1-O 3.39Å
88S86.3Confident69.8Low4 Ų454 Ų543%0.02827%0.271CS..EExtended strand (participates in β ladder)trans-146.1138.3-178.762.80000110.8A101 A130S88-A101 PolarHBondContact O-N 3.02Å; S88-A101 WeakPolarHBondContact OG-CB 3.19Å; S88-A130 WeakPolarHBondContact CB-O 3.48Å; S88-A130 WeakPolarHBondContact OG-CB 3.25Å; S88-A130 PolarHBondContact OG-O 2.96Å
89L86.8Confident69.3Low0 Ų053.6 Ų53.60%027%0.269CS..EExtended strand (participates in β ladder)trans-127.6129.5174.2-167.370000109.3T45 C47 L54 L62 I98 L99T45-L89 HydrophobicContact CG2-CB 3.64Å; T45-L89 PolarHBondContact OG1-N 3.03Å; T45-L89 VanDerWaalsContact OG1-N 3.14Å; C47-L89 HydrophobicContact CB-CB 4.37Å; C47-L89 HydrophobicContact CB-CD2 4.15Å; C47-L89 HydrophobicContact CB-CG 3.98Å; L54-L89 HydrophobicContact CB-CD2 3.64Å; L54-L89 WeakPolarHBondContact O-CD2 3.33Å; L62-L89 HydrophobicContact CD1-CD1 3.78Å; L62-L89 HydrophobicContact CD1-CD2 3.82Å; L62-L89 HydrophobicContact CD1-CG 4.5Å; L89-I98 HydrophobicContact CD1-CG2 3.33Å; L89-I98 HydrophobicContact CG-CG2 4.37Å; L89-L99 WeakPolarHBondContact CA-O 3.42Å
90Q83.9Confident69.4Low5 Ų552.2 Ų52.22%0.02326%0.26CS..EExtended strand (participates in β ladder)trans-146.6135.2177.1-86.5147.366.300108.9I98 L99 A130 F335Q90-I98 WeakPolarHBondContact O-CA 3.22Å; Q90-L99 PolarHBondContact O-N 2.76Å; Q90-L99 VanDerWaalsContact O-N 3.13Å; Q90-A130 PolarHBondContact NE2-O 2.83Å; Q90-F335 HydrophobicContact CG-CD1 4.37Å
91S79.3Confident69.8Low11 Ų1143.7 Ų43.78%0.07722%0.223CC..  trans-95.8157.6162.843.60000109.4C47 W48 F97 P336C47-S91 PolarHBondContact SG-N 2.8Å; C47-S91 PolarHBondContact SG-OG 2.9Å; W48-S91 WeakPolarHBondContact O-CB 3.34Å; W48-S91 PolarHBondContact O-OG 3Å; S91-F97 WeakPolarHBondContact CA-O 3.46Å; S91-P336 WeakPolarHBondContact O-CB 3.48Å; S91-P336 WeakPolarHBondContact O-CD 3.49Å; S91-P336 WeakPolarHBondContact O-CG 3.49Å; S91-P336 PolarHBondContact OG-O 2.83Å
92H71.8Confident70.3Confident17 Ų1740.6 Ų40.68%0.07920%0.201CC..  trans-146.9138.1173.8-176.8-87.5000110.3K94 L95 V96 L132H92-K94 PolarHBondContact ND1-N 2.93Å; H92-L95 CarbonylContact O-C 3.59Å; H92-L95 VanDerWaalsContact O-C 3.24Å; H92-L95 VanDerWaalsContact O-O 3.06Å; H92-V96 VanDerWaalsContact O-CA 3.27Å; H92-V96 WeakPolarHBondContact O-CA 3.4Å; H92-V96 PolarHBondContact O-N 3.27Å; H92-L132 HydrophobicContact CB-CD2 4.12Å
93D62.7Low71Confident85 Ų8532.6 Ų32.646%0.45517%0.167SC..THydrogen-bonded Turntrans-66.4-46.1-169.8-73.9-5.5000113.6
94K50.6Low71.6Confident172 Ų17226.9 Ų26.975%0.74815%0.146SC*.THydrogen-bonded Turntrans-75.3-31.1-174.4-65-178179.91710113.8H92H92-K94 PolarHBondContact ND1-N 2.93Å
95L46.2Very low71.7Confident46 Ų4626.7 Ų26.724%0.24115%0.145CC..THydrogen-bonded Turntrans-134.281-176.5-78.7-171.2000103.3H92 F97 A134 I151H92-L95 CarbonylContact O-C 3.59Å; H92-L95 VanDerWaalsContact O-C 3.24Å; H92-L95 VanDerWaalsContact O-O 3.06Å; L95-F97 HydrophobicContact CB-CD2 3.53Å; L95-F97 HydrophobicContact CB-CE2 3.56Å; L95-F97 HydrophobicContact CB-CG 4.28Å; L95-F97 HydrophobicContact CB-CZ 4.32Å; L95-F97 HydrophobicContact CD1-CD2 4.33Å; L95-F97 HydrophobicContact CD1-CE2 3.8Å; L95-F97 HydrophobicContact CD2-CE2 3.91Å; L95-F97 HydrophobicContact CD2-CZ 4.11Å; L95-F97 HydrophobicContact CG-CD2 4.4Å; L95-F97 HydrophobicContact CG-CE2 3.96Å; L95-F97 WeakPolarHBondContact O-CA 3.38Å; L95-F97 WeakPolarHBondContact O-CB 3.38Å; L95-F97 WeakPolarHBondContact O-CG 3.3Å; L95-F97 PolarHBondContact O-N 2.92Å; L95-A134 WeakPolarHBondContact CD1-O 3.31Å; L95-I151 HydrophobicContact CD1-CD1 3.65Å; L95-I151 HydrophobicContact CD1-CG2 4.2Å
96V49.7Very low71.8Confident58 Ų5826.2 Ų26.235%0.35214%0.141SC..THydrogen-bonded Turntrans-48.269.6-179.3178.80000110H92 S111 H112H92-V96 VanDerWaalsContact O-CA 3.27Å; H92-V96 WeakPolarHBondContact O-CA 3.4Å; H92-V96 PolarHBondContact O-N 3.27Å; V96-S111 CarbonylContact O-C 3.57Å; V96-S111 WeakPolarHBondContact O-CA 3.43Å; V96-H112 HydrophobicContact CB-CB 4.38Å; V96-H112 HydrophobicContact CG1-CB 2.9Å; V96-H112 VanDerWaalsContact CG1-CD2 3.43Å; V96-H112 WeakPolarHBondContact CG1-CD2 3.18Å; V96-H112 PolarHBondContact O-N 3.22Å
97F53.8Low71.9Confident19 Ų1926.2 Ų26.28%0.08314%0.141CC..EExtended strand (participates in β ladder)trans-131.8133.2-164.1-68.8-27.5000112.2S91 L95 V109 F110 K118 L132 I151S91-F97 WeakPolarHBondContact CA-O 3.46Å; L95-F97 HydrophobicContact CB-CD2 3.53Å; L95-F97 HydrophobicContact CB-CE2 3.56Å; L95-F97 HydrophobicContact CB-CG 4.28Å; L95-F97 HydrophobicContact CB-CZ 4.32Å; L95-F97 HydrophobicContact CD1-CD2 4.33Å; L95-F97 HydrophobicContact CD1-CE2 3.8Å; L95-F97 HydrophobicContact CD2-CE2 3.91Å; L95-F97 HydrophobicContact CD2-CZ 4.11Å; L95-F97 HydrophobicContact CG-CD2 4.4Å; L95-F97 HydrophobicContact CG-CE2 3.96Å; L95-F97 WeakPolarHBondContact O-CA 3.38Å; L95-F97 WeakPolarHBondContact O-CB 3.38Å; L95-F97 WeakPolarHBondContact O-CG 3.3Å; L95-F97 PolarHBondContact O-N 2.92Å; F97-V109 HydrophobicContact CB-CG1 3.5Å; F97-V109 HydrophobicContact CD1-CG1 3.9Å; F97-V109 HydrophobicContact CD2-CG1 3.62Å; F97-V109 HydrophobicContact CE2-CG1 4.34Å; F97-V109 HydrophobicContact CG-CG1 3.38Å; F97-F110 WeakPolarHBondContact CA-O 3.43Å; F97-F110 WeakPolarHBondContact CD1-O 3.07Å; F97-K118 HydrophobicContact CD1-CG 3.93Å; F97-K118 HydrophobicContact CE1-CB 4.12Å; F97-K118 HydrophobicContact CE1-CD 3.56Å; F97-K118 HydrophobicContact CE1-CG 3.38Å; F97-K118 HydrophobicContact CZ-CD 4.05Å; F97-K118 HydrophobicContact CZ-CG 4.13Å; F97-L132 HydrophobicContact CB-CD2 3.75Å; F97-I151 HydrophobicContact CE2-CG2 3.91Å
98I57.3Low71.9Confident2 Ų226.1 Ų26.11%0.0114%0.137CC..EExtended strand (participates in β ladder)trans-104.8113174.7-66156.4000107.7L54 L89 Q90 V109 F110 H112 L114L54-I98 HydrophobicContact CD1-CD1 3.38Å; L54-I98 HydrophobicContact CD1-CG1 4.01Å; L89-I98 HydrophobicContact CD1-CG2 3.33Å; L89-I98 HydrophobicContact CG-CG2 4.37Å; Q90-I98 WeakPolarHBondContact O-CA 3.22Å; I98-V109 WeakPolarHBondContact O-CA 3.17Å; I98-F110 HydrophobicContact CB-CB 4.38Å; I98-F110 HydrophobicContact CB-CD2 4.48Å; I98-F110 PolarHBondContact N-O 3.02Å; I98-F110 VanDerWaalsContact N-O 3.13Å; I98-F110 WeakPolarHBondContact O-CD2 3.41Å; I98-F110 PolarHBondContact O-N 2.84Å; I98-H112 WeakPolarHBondContact CD1-O 3.35Å; I98-L114 HydrophobicContact CB-CD2 3.87Å; I98-L114 HydrophobicContact CD1-CD1 3.86Å; I98-L114 HydrophobicContact CD1-CD2 3.31Å; I98-L114 HydrophobicContact CD1-CG 3.38Å; I98-L114 HydrophobicContact CG1-CD2 4.19Å; I98-L114 HydrophobicContact CG2-CD2 3.97Å
99L65.7Low71.9Confident0 Ų025.9 Ų25.90%014%0.135CC..EExtended strand (participates in β ladder)trans-83.2118174-17078.4000108.9L89 Q90 I107 R108 V109 A130 L132 V137L89-L99 WeakPolarHBondContact CA-O 3.42Å; Q90-L99 PolarHBondContact O-N 2.76Å; Q90-L99 VanDerWaalsContact O-N 3.13Å; L99-I107 HydrophobicContact CD1-CG2 3.16Å; L99-I107 HydrophobicContact CG-CG2 3.95Å; L99-R108 CarbonylContact C-O 3.52Å; L99-R108 WeakPolarHBondContact CA-O 3.45Å; L99-V109 HydrophobicContact CD1-CG2 3.73Å; L99-A130 HydrophobicContact CD2-CB 3.73Å; L99-L132 HydrophobicContact CB-CB 4.45Å; L99-L132 HydrophobicContact CD2-CB 4.36Å; L99-V137 HydrophobicContact CD1-CG1 4.05Å; L99-V137 HydrophobicContact CD1-CG2 4.32Å
100S67.6Low71.7Confident0 Ų025.9 Ų25.90%014%0.135CC..EExtended strand (participates in β ladder)trans-110.3108.8163.673.40000109H102 I107 R108S100-H102 PolarHBondContact O-CD2 2.8Å; S100-H102 PolarHBondContact OG-NE2 2.82Å; S100-I107 CarbonylContact O-C 3.6Å; S100-I107 WeakPolarHBondContact O-CA 3.25Å; S100-R108 PolarHBondContact N-O 3.25Å; S100-R108 PolarHBondContact O-N 3.28Å
101A70.3Confident71.6Confident0 Ų026.3 Ų26.30%014%0.139CC..EExtended strand (participates in β ladder)trans-94.1133.6171.300000109.2V86 V87 S88 I107 I127 A130V86-A101 CarbonylContact C-O 3.53Å; V87-A101 HydrophobicContact CB-CB 4.34Å; V87-A101 WeakPolarHBondContact CB-O 3.37Å; V87-A101 PolarHBondContact N-O 3.11Å; S88-A101 PolarHBondContact O-N 3.02Å; S88-A101 WeakPolarHBondContact OG-CB 3.19Å; A101-I107 HydrophobicContact CB-CG1 4.15Å; A101-I127 HydrophobicContact CB-CG2 4.1Å; A101-A130 HydrophobicContact CB-CB 3.72Å
102H71.9Confident71.3Confident0 Ų029.5 Ų29.50%015%0.152CC..EExtended strand (participates in β ladder)trans-108.7144.2-175.4-74.9-78.3000109.7F78 D84 S85 S100 S104 G105 D106F78-H102 WeakPolarHBondContact CB-CE1 3.18Å; F78-H102 AromaticContact CD2-CE1 3.54Å; F78-H102 AromaticContact CD2-NE2 3.59Å; F78-H102 AromaticContact CG-CE1 3.6Å; F78-H102 AromaticContact CG-NE2 3.59Å; D84-H102 VanDerWaalsContact OD1-CB 3.22Å; D84-H102 WeakPolarHBondContact OD1-CB 3.25Å; D84-H102 IonicContact OD1-CG 3.66Å; D84-H102 IonicContact OD1-ND1 2.84Å; D84-H102 WeakPolarHBondContact OD2-CB 2.93Å; D84-H102 IonicContact OD2-CG 3.87Å; D84-H102 IonicContact OD2-ND1 2.66Å; D84-H102 PolarHBondContact OD2-ND1 3.15Å; S85-H102 VanDerWaalsContact O-CA 3.32Å; S85-H102 WeakPolarHBondContact O-CA 3.36Å; S100-H102 PolarHBondContact O-CD2 2.8Å; S100-H102 PolarHBondContact OG-NE2 2.82Å; H102-S104 WeakPolarHBondContact CB-OG 3.32Å; H102-S104 PolarHBondContact O-N 3.05Å; H102-G105 PolarHBondContact O-N 3.03Å; H102-D106 HydrophobicContact CB-CB 4.14Å; H102-D106 VanDerWaalsContact CB-O 3.3Å; H102-D106 WeakPolarHBondContact CB-O 3.49Å; H102-D106 PolarHBondContact CD2-O 2.91Å; H102-D106 PolarHBondContact N-O 2.94Å
103S75.9Confident71.4Confident25 Ų2534.3 Ų34.318%0.17518%0.178CC..THydrogen-bonded Turntrans-59.5-26.7175.849.30000111.1E83 D84 S85 G105 L126E83-S103 PolarHBondContact O-OG 2.88Å; E83-S103 VanDerWaalsContact O-OG 3.1Å; D84-S103 PolarHBondContact OD1-N 2.89Å; D84-S103 VanDerWaalsContact OD1-N 3.1Å; D84-S103 PolarHBondContact OD1-OG 3.45Å; S85-S103 PolarHBondContact N-OG 3.07Å; S85-S103 PolarHBondContact O-N 2.84Å; S85-S103 VanDerWaalsContact O-N 3.07Å; S103-G105 PolarHBondContact O-N 3.39Å; S103-L126 WeakPolarHBondContact O-CA 3.46Å; S103-L126 VanDerWaalsContact O-CD2 3.31Å; S103-L126 WeakPolarHBondContact O-CD2 3.46Å
104S82.2Confident71.9Confident57 Ų5730.7 Ų30.740%0.39916%0.159SC..THydrogen-bonded Turntrans-62.1-17.2172.862.60000115.1D84 H102D84-S104 VanDerWaalsContact CG-OG 3.25Å; D84-S104 WeakPolarHBondContact OD1-CB 3.25Å; D84-S104 PolarHBondContact OD1-N 2.88Å; D84-S104 PolarHBondContact OD1-OG 2.79Å; D84-S104 VanDerWaalsContact OD1-OG 3.12Å; D84-S104 PolarHBondContact OD2-OG 3.36Å; H102-S104 WeakPolarHBondContact CB-OG 3.32Å; H102-S104 PolarHBondContact O-N 3.05Å
105G84.3Confident73.1Confident0 Ų027.6 Ų27.60%016%0.155CC..SBendtrans100.61.9-177.100000114.5H102 S103 V123 G125H102-G105 PolarHBondContact O-N 3.03Å; S103-G105 PolarHBondContact O-N 3.39Å; G105-V123 WeakPolarHBondContact O-CB 3.17Å; G105-V123 PolarHBondContact O-N 3.12Å; G105-G125 WeakPolarHBondContact CA-O 3.43Å; G105-G125 PolarHBondContact N-O 2.76Å
106D87.4Confident74.7Confident14 Ų1427.9 Ų27.98%0.07516%0.16CC..EExtended strand (participates in β ladder)trans-81.5130.9173-77.9-26.5000110.6H102 Q120 N122H102-D106 HydrophobicContact CB-CB 4.14Å; H102-D106 VanDerWaalsContact CB-O 3.3Å; H102-D106 WeakPolarHBondContact CB-O 3.49Å; H102-D106 PolarHBondContact CD2-O 2.91Å; H102-D106 PolarHBondContact N-O 2.94Å; D106-Q120 PolarHBondContact OD1-NE2 2.8Å; D106-Q120 PolarHBondContact OD2-NE2 3.11Å; D106-N122 PolarHBondContact OD1-ND2 3.19Å
107I88.8Confident76.2Confident0 Ų028.8 Ų28.80%016%0.161CC..EExtended strand (participates in β ladder)trans-119.4120.3170.7-58.7176.6000107.5L99 S100 A101 Q120 L121 V123 I127 A130 V137 A139L99-I107 HydrophobicContact CD1-CG2 3.16Å; L99-I107 HydrophobicContact CG-CG2 3.95Å; S100-I107 CarbonylContact O-C 3.6Å; S100-I107 WeakPolarHBondContact O-CA 3.25Å; A101-I107 HydrophobicContact CB-CG1 4.15Å; I107-Q120 CarbonylContact O-C 3.55Å; I107-Q120 WeakPolarHBondContact O-CA 3.23Å; I107-L121 HydrophobicContact CB-CB 4.17Å; I107-L121 PolarHBondContact N-O 2.85Å; I107-L121 PolarHBondContact O-N 2.94Å; I107-V123 HydrophobicContact CD1-CG2 3.58Å; I107-V123 HydrophobicContact CG1-CG2 4.01Å; I107-I127 HydrophobicContact CD1-CD1 3.79Å; I107-I127 HydrophobicContact CG1-CD1 3.47Å; I107-I127 VanDerWaalsContact CG1-CD1 3.47Å; I107-A130 HydrophobicContact CD1-CB 4.33Å; I107-V137 HydrophobicContact CD1-CG1 4.21Å; I107-V137 HydrophobicContact CG2-CG1 4.22Å; I107-A139 HydrophobicContact CD1-CB 3.65Å
108R87.3Confident77.5Confident33 Ų3333.6 Ų33.613%0.12518%0.182CC..EExtended strand (participates in β ladder)trans-112.3141.6178.3-55.9-174.2-168.8-170.812.7110.3L99 S100 F110 Q120L99-R108 CarbonylContact C-O 3.52Å; L99-R108 WeakPolarHBondContact CA-O 3.45Å; S100-R108 PolarHBondContact N-O 3.25Å; S100-R108 PolarHBondContact O-N 3.28Å; R108-F110 HydrophobicContact CB-CE2 3.56Å; R108-F110 HydrophobicContact CB-CZ 3.53Å; R108-F110 HydrophobicContact CG-CZ 4.31Å; R108-Q120 HydrophobicContact CG-CG 4.2Å
109V86.5Confident78.8Confident0 Ų034.4 Ų34.40%019%0.185CC..EExtended strand (participates in β ladder)trans-122.5113.5179.2-176.50000107.6F97 I98 L99 K118 F119F97-V109 HydrophobicContact CB-CG1 3.5Å; F97-V109 HydrophobicContact CD1-CG1 3.9Å; F97-V109 HydrophobicContact CD2-CG1 3.62Å; F97-V109 HydrophobicContact CE2-CG1 4.34Å; F97-V109 HydrophobicContact CG-CG1 3.38Å; I98-V109 WeakPolarHBondContact O-CA 3.17Å; L99-V109 HydrophobicContact CD1-CG2 3.73Å; V109-K118 WeakPolarHBondContact O-CB 3.32Å; V109-K118 PolarHBondContact O-N 3.28Å; V109-F119 HydrophobicContact CB-CD1 4.06Å; V109-F119 HydrophobicContact CB-CD2 4.49Å; V109-F119 HydrophobicContact CB-CE1 3.66Å; V109-F119 HydrophobicContact CB-CE2 4.15Å; V109-F119 HydrophobicContact CB-CG 4.46Å; V109-F119 HydrophobicContact CB-CZ 3.73Å; V109-F119 HydrophobicContact CG1-CD1 4.38Å; V109-F119 HydrophobicContact CG1-CE1 3.69Å; V109-F119 HydrophobicContact CG1-CZ 3.98Å; V109-F119 HydrophobicContact CG2-CD2 4.3Å; V109-F119 HydrophobicContact CG2-CE1 3.9Å; V109-F119 HydrophobicContact CG2-CE2 3.62Å; V109-F119 HydrophobicContact CG2-CZ 3.4Å; V109-F119 PolarHBondContact N-O 2.83Å; V109-F119 PolarHBondContact O-N 3.02Å
110F83.2Confident79.8Confident0 Ų038.4 Ų38.40%020%0.204CC..EExtended strand (participates in β ladder)trans-101.9163179.8-59.6-76.9000111.5K76 F78 F97 I98 R108 L114 S116 E117K76-F110 HydrophobicContact CD-CE1 4.17Å; K76-F110 HydrophobicContact CD-CZ 4.42Å; F78-F110 HydrophobicContact CD1-CZ 4.36Å; F78-F110 HydrophobicContact CE1-CE1 4.11Å; F78-F110 AromaticContact CE1-CE2 3.81Å; F78-F110 HydrophobicContact CE1-CE2 3.81Å; F78-F110 AromaticContact CE1-CZ 3.25Å; F78-F110 HydrophobicContact CE1-CZ 3.25Å; F78-F110 HydrophobicContact CE2-CE2 4.42Å; F78-F110 HydrophobicContact CZ-CD2 4.48Å; F78-F110 HydrophobicContact CZ-CE1 4.38Å; F78-F110 AromaticContact CZ-CE2 3.46Å; F78-F110 HydrophobicContact CZ-CE2 3.46Å; F78-F110 VanDerWaalsContact CZ-CE2 3.46Å; F78-F110 AromaticContact CZ-CZ 3.42Å; F78-F110 HydrophobicContact CZ-CZ 3.42Å; F78-F110 VanDerWaalsContact CZ-CZ 3.42Å; F97-F110 WeakPolarHBondContact CA-O 3.43Å; F97-F110 WeakPolarHBondContact CD1-O 3.07Å; I98-F110 HydrophobicContact CB-CB 4.38Å; I98-F110 HydrophobicContact CB-CD2 4.48Å; I98-F110 PolarHBondContact N-O 3.02Å; I98-F110 VanDerWaalsContact N-O 3.13Å; I98-F110 WeakPolarHBondContact O-CD2 3.41Å; I98-F110 PolarHBondContact O-N 2.84Å; R108-F110 HydrophobicContact CB-CE2 3.56Å; R108-F110 HydrophobicContact CB-CZ 3.53Å; R108-F110 HydrophobicContact CG-CZ 4.31Å; F110-L114 HydrophobicContact CB-CD2 3.73Å; F110-L114 HydrophobicContact CD2-CD2 3.92Å; F110-L114 HydrophobicContact CG-CD2 3.85Å; F110-S116 CarbonylContact C-O 3.57Å; F110-S116 WeakPolarHBondContact CA-O 3.4Å; F110-E117 HydrophobicContact CD1-CB 3.91Å; F110-E117 HydrophobicContact CD1-CG 4.12Å; F110-E117 HydrophobicContact CE1-CB 3.82Å; F110-E117 HydrophobicContact CE1-CG 3.78Å; F110-E117 HydrophobicContact CZ-CG 4.49Å
111S81.4Confident80.7Confident14 Ų1438.7 Ų38.710%0.09821%0.205CC..EExtended strand (participates in β ladder)trans-68.2170.5161.456.40000112.6V96 D113 L114 S116V96-S111 CarbonylContact O-C 3.57Å; V96-S111 WeakPolarHBondContact O-CA 3.43Å; S111-D113 PolarHBondContact O-N 2.9Å; S111-D113 VanDerWaalsContact O-N 3.16Å; S111-L114 PolarHBondContact O-N 2.81Å; S111-S116 VanDerWaalsContact CB-OG 3.27Å; S111-S116 WeakPolarHBondContact CB-OG 3.43Å; S111-S116 PolarHBondContact N-O 3.49Å; S111-S116 PolarHBondContact OG-N 2.82Å; S111-S116 PolarHBondContact OG-O 3.49Å; S111-S116 PolarHBondContact OG-OG 3.41Å
112H73.8Confident81.5Confident78 Ų7843.8 Ų43.836%0.36123%0.233SC..THydrogen-bonded Turntrans-43.3-53.5177.3-147.7-120.8000111.7V96 I98 L114V96-H112 HydrophobicContact CB-CB 4.38Å; V96-H112 HydrophobicContact CG1-CB 2.9Å; V96-H112 VanDerWaalsContact CG1-CD2 3.43Å; V96-H112 WeakPolarHBondContact CG1-CD2 3.18Å; V96-H112 PolarHBondContact O-N 3.22Å; I98-H112 WeakPolarHBondContact CD1-O 3.35Å; H112-L114 PolarHBondContact O-N 2.94Å
113D72.2Confident82.2Confident117 Ų11743.8 Ų43.863%0.62623%0.233SC*.THydrogen-bonded Turntrans-793.9-164.1-50.2-39.5000110.3S111 T115S111-D113 PolarHBondContact O-N 2.9Å; S111-D113 VanDerWaalsContact O-N 3.16Å; D113-T115 HydrophobicContact CB-CG2 3.82Å; D113-T115 WeakPolarHBondContact O-CG2 3.38Å; D113-T115 PolarHBondContact O-N 2.65Å
114L74.9Confident82.5Confident10 Ų1046.7 Ų46.75%0.05225%0.253CS..SBendtrans56.25.2-172.8-68.9165.4000114.4L54 L62 I75 K76 I98 F110 S111 H112L54-L114 HydrophobicContact CD1-CD1 4.05Å; L54-L114 HydrophobicContact CD2-CD1 4.06Å; L62-L114 HydrophobicContact CD2-CD1 3.9Å; L62-L114 HydrophobicContact CD2-CD2 3.96Å; I75-L114 HydrophobicContact CB-CD1 4.29Å; I75-L114 HydrophobicContact CD1-CD1 3.33Å; I75-L114 HydrophobicContact CG1-CD1 4.35Å; I75-L114 HydrophobicContact CG2-CB 3.83Å; I75-L114 HydrophobicContact CG2-CD1 3.56Å; I75-L114 HydrophobicContact CG2-CG 4.29Å; K76-L114 WeakPolarHBondContact CE-O 3.43Å; K76-L114 PolarHBondContact NZ-O 3.22Å; K76-L114 VanDerWaalsContact NZ-O 3.15Å; I98-L114 HydrophobicContact CB-CD2 3.87Å; I98-L114 HydrophobicContact CD1-CD1 3.86Å; I98-L114 HydrophobicContact CD1-CD2 3.31Å; I98-L114 HydrophobicContact CD1-CG 3.38Å; I98-L114 HydrophobicContact CG1-CD2 4.19Å; I98-L114 HydrophobicContact CG2-CD2 3.97Å; F110-L114 HydrophobicContact CB-CD2 3.73Å; F110-L114 HydrophobicContact CD2-CD2 3.92Å; F110-L114 HydrophobicContact CG-CD2 3.85Å; S111-L114 PolarHBondContact O-N 2.81Å; H112-L114 PolarHBondContact O-N 2.94Å
115T74.1Confident82.6Confident107 Ų10745.4 Ų45.466%0.65625%0.249SC*.SBendtrans-69.7-49.6-178.2520000111.4D113D113-T115 HydrophobicContact CB-CG2 3.82Å; D113-T115 WeakPolarHBondContact O-CG2 3.38Å; D113-T115 PolarHBondContact O-N 2.65Å
116S79.5Confident82.9Confident51 Ų5149.7 Ų49.736%0.35727%0.271SS..SBendtrans-107.3130.5-177.171.40000111.8F110 S111F110-S116 CarbonylContact C-O 3.57Å; F110-S116 WeakPolarHBondContact CA-O 3.4Å; S111-S116 VanDerWaalsContact CB-OG 3.27Å; S111-S116 WeakPolarHBondContact CB-OG 3.43Å; S111-S116 PolarHBondContact N-O 3.49Å; S111-S116 PolarHBondContact OG-N 2.82Å; S111-S116 PolarHBondContact OG-O 3.49Å; S111-S116 PolarHBondContact OG-OG 3.41Å
117E81.4Confident83.1Confident77 Ų7749.3 Ų49.336%0.3627%0.269SS..EExtended strand (participates in β ladder)trans-83127.8166.5-171.4166.5170.900108.8F110F110-E117 HydrophobicContact CD1-CB 3.91Å; F110-E117 HydrophobicContact CD1-CG 4.12Å; F110-E117 HydrophobicContact CE1-CB 3.82Å; F110-E117 HydrophobicContact CE1-CG 3.78Å; F110-E117 HydrophobicContact CZ-CG 4.49Å
118K81Confident83.2Confident120 Ų12051.1 Ų51.152%0.52228%0.281SS..EExtended strand (participates in β ladder)trans-86.6-47.6-177.2-70.5-89.7174.6-179.60110.8F97 V109F97-K118 HydrophobicContact CD1-CG 3.93Å; F97-K118 HydrophobicContact CE1-CB 4.12Å; F97-K118 HydrophobicContact CE1-CD 3.56Å; F97-K118 HydrophobicContact CE1-CG 3.38Å; F97-K118 HydrophobicContact CZ-CD 4.05Å; F97-K118 HydrophobicContact CZ-CG 4.13Å; V109-K118 WeakPolarHBondContact O-CB 3.32Å; V109-K118 PolarHBondContact O-N 3.28Å
119F85.1Confident83.4Confident19 Ų1949.7 Ų49.78%0.08328%0.277CS..EExtended strand (participates in β ladder)trans-164.2160.5172.661.2-83.7000111V109 L121 V137 I151 H154V109-F119 HydrophobicContact CB-CD1 4.06Å; V109-F119 HydrophobicContact CB-CD2 4.49Å; V109-F119 HydrophobicContact CB-CE1 3.66Å; V109-F119 HydrophobicContact CB-CE2 4.15Å; V109-F119 HydrophobicContact CB-CG 4.46Å; V109-F119 HydrophobicContact CB-CZ 3.73Å; V109-F119 HydrophobicContact CG1-CD1 4.38Å; V109-F119 HydrophobicContact CG1-CE1 3.69Å; V109-F119 HydrophobicContact CG1-CZ 3.98Å; V109-F119 HydrophobicContact CG2-CD2 4.3Å; V109-F119 HydrophobicContact CG2-CE1 3.9Å; V109-F119 HydrophobicContact CG2-CE2 3.62Å; V109-F119 HydrophobicContact CG2-CZ 3.4Å; V109-F119 PolarHBondContact N-O 2.83Å; V109-F119 PolarHBondContact O-N 3.02Å; F119-L121 HydrophobicContact CD2-CD1 4.5Å; F119-L121 HydrophobicContact CD2-CD2 4.32Å; F119-L121 HydrophobicContact CD2-CG 3.95Å; F119-L121 HydrophobicContact CE2-CD1 3.91Å; F119-L121 HydrophobicContact CE2-CD2 4.39Å; F119-L121 HydrophobicContact CE2-CG 3.86Å; F119-V137 HydrophobicContact CZ-CG2 4.3Å; F119-I151 HydrophobicContact CE1-CG2 3.88Å; F119-I151 HydrophobicContact CZ-CG1 4.35Å; F119-I151 HydrophobicContact CZ-CG2 4.24Å; F119-H154 HydrophobicContact CD2-CB 4.08Å; F119-H154 HydrophobicContact CE2-CB 4.31Å
120Q86.7Confident83.6Confident84 Ų8449.7 Ų49.739%0.39328%0.277SS..EExtended strand (participates in β ladder)trans-117.9136.8171.7179.9177.9-5.300109.1D106 I107 R108D106-Q120 PolarHBondContact OD1-NE2 2.8Å; D106-Q120 PolarHBondContact OD2-NE2 3.11Å; I107-Q120 CarbonylContact O-C 3.55Å; I107-Q120 WeakPolarHBondContact O-CA 3.23Å; R108-Q120 HydrophobicContact CG-CG 4.2Å
121L87.2Confident83.8Confident6 Ų650.4 Ų50.43%0.03128%0.28CS..EExtended strand (participates in β ladder)trans-110.9134.5169-62.7169.7000108.8I107 F119 V137 W149 H154I107-L121 HydrophobicContact CB-CB 4.17Å; I107-L121 PolarHBondContact N-O 2.85Å; I107-L121 PolarHBondContact O-N 2.94Å; F119-L121 HydrophobicContact CD2-CD1 4.5Å; F119-L121 HydrophobicContact CD2-CD2 4.32Å; F119-L121 HydrophobicContact CD2-CG 3.95Å; F119-L121 HydrophobicContact CE2-CD1 3.91Å; F119-L121 HydrophobicContact CE2-CD2 4.39Å; F119-L121 HydrophobicContact CE2-CG 3.86Å; L121-V137 HydrophobicContact CD1-CB 4.18Å; L121-V137 HydrophobicContact CD1-CG1 4.15Å; L121-V137 HydrophobicContact CD1-CG2 4.37Å; L121-W149 HydrophobicContact CD1-CB 4Å; L121-W149 HydrophobicContact CD1-CD2 3.98Å; L121-W149 HydrophobicContact CD1-CE3 4.36Å; L121-W149 HydrophobicContact CD1-CG 3.81Å; L121-W149 HydrophobicContact CD2-CG 4.11Å; L121-H154 HydrophobicContact CD2-CB 3.69Å; L121-H154 WeakPolarHBondContact CD2-O 3.14Å
122N87.7Confident84Confident108 Ų10849.8 Ų49.858%0.57828%0.275SS*.EExtended strand (participates in β ladder)trans-106115.5167.9-170.6-41.7000109.4D106 S124D106-N122 PolarHBondContact OD1-ND2 3.19Å; N122-S124 PolarHBondContact OD1-N 2.9Å
123V86.1Confident84.3Confident0 Ų046.3 Ų46.30%026%0.259CS..  trans-91.4-8.9-176-1730000112.2G105 I107 I127 L144 R147 W149G105-V123 WeakPolarHBondContact O-CB 3.17Å; G105-V123 PolarHBondContact O-N 3.12Å; I107-V123 HydrophobicContact CD1-CG2 3.58Å; I107-V123 HydrophobicContact CG1-CG2 4.01Å; V123-I127 HydrophobicContact CB-CD1 4.05Å; V123-I127 HydrophobicContact CB-CG1 4.41Å; V123-I127 HydrophobicContact CG2-CD1 3.93Å; V123-L144 HydrophobicContact CG1-CD1 3.62Å; V123-L144 HydrophobicContact CG1-CD2 3.48Å; V123-L144 VanDerWaalsContact CG1-CD2 3.48Å; V123-L144 HydrophobicContact CG1-CG 4.12Å; V123-R147 PolarHBondContact O-NH1 3.23Å; V123-W149 HydrophobicContact CB-CH2 4.16Å; V123-W149 HydrophobicContact CB-CZ2 4.29Å; V123-W149 HydrophobicContact CG1-CH2 3.62Å; V123-W149 HydrophobicContact CG1-CZ2 3.98Å; V123-W149 HydrophobicContact CG2-CH2 3.44Å; V123-W149 VanDerWaalsContact CG2-CH2 3.44Å; V123-W149 HydrophobicContact CG2-CZ2 3.63Å; V123-W149 HydrophobicContact CG2-CZ3 4.34Å
124S82.5Confident84.4Confident86 Ų8641.8 Ų41.860%0.60124%0.238SC*.  trans45.878.7-176.646.20000112.7N122N122-S124 PolarHBondContact OD1-N 2.9Å
125G84.3Confident84.7Confident30 Ų3045.7 Ų45.731%0.30926%0.259SS..SBendtrans151173.1177.700000113G105 I127G105-G125 WeakPolarHBondContact CA-O 3.43Å; G105-G125 PolarHBondContact N-O 2.76Å; G125-I127 PolarHBondContact O-N 3.5Å
126L89.4Confident85.3Confident90 Ų9041.3 Ų41.347%0.47123%0.231SC..EExtended strand (participates in β ladder)trans-77.9105.6-176.9-66.6171.4000111.4S103 G141 K142S103-L126 WeakPolarHBondContact O-CA 3.46Å; S103-L126 VanDerWaalsContact O-CD2 3.31Å; S103-L126 WeakPolarHBondContact O-CD2 3.46Å; L126-G141 CarbonylContact O-C 3.58Å; L126-G141 VanDerWaalsContact O-CA 3.26Å; L126-G141 WeakPolarHBondContact O-CA 3.46Å; L126-K142 HydrophobicContact CB-CB 4.2Å; L126-K142 HydrophobicContact CD1-CB 4.39Å; L126-K142 HydrophobicContact CD1-CD 4.14Å; L126-K142 PolarHBondContact O-N 3.42Å
127I91.8Very high85.8Confident5 Ų538.9 Ų38.93%0.02621%0.214CC..EExtended strand (participates in β ladder)trans-77.3136.6174.4-61.1167.8000109.6V87 A101 I107 V123 G125 A130 L144V87-I127 HydrophobicContact CG1-CG2 4.39Å; A101-I127 HydrophobicContact CB-CG2 4.1Å; I107-I127 HydrophobicContact CD1-CD1 3.79Å; I107-I127 HydrophobicContact CG1-CD1 3.47Å; I107-I127 VanDerWaalsContact CG1-CD1 3.47Å; V123-I127 HydrophobicContact CB-CD1 4.05Å; V123-I127 HydrophobicContact CB-CG1 4.41Å; V123-I127 HydrophobicContact CG2-CD1 3.93Å; G125-I127 PolarHBondContact O-N 3.5Å; I127-A130 HydrophobicContact CG2-CB 4.41Å; I127-L144 HydrophobicContact CG1-CD2 3.88Å
128C91.2Very high86.3Confident38 Ų3835.3 Ų35.326%0.25720%0.198SC..EExtended strand (participates in β ladder)trans-118.2-21.2173.5-64.60000113V87 G140 I177V87-C128 WeakPolarHBondContact CG1-O 3.39Å; C128-G140 PolarHBondContact N-O 3.1Å; C128-I177 WeakPolarHBondContact CB-O 3.22Å
129S90.8Very high86.9Confident4 Ų429.6 Ų29.63%0.02817%0.173CC..EExtended strand (participates in β ladder)trans-154.6135.9171.5-172.90000109.7K131 A139 G140 D179 V180S129-K131 PolarHBondContact OG-NZ 2.8Å; S129-A139 WeakPolarHBondContact O-CA 3.06Å; S129-G140 PolarHBondContact N-O 3.1Å; S129-G140 VanDerWaalsContact N-O 3.11Å; S129-G140 PolarHBondContact O-N 3.24Å; S129-D179 PolarHBondContact OG-OD1 3.12Å; S129-V180 PolarHBondContact OG-N 2.89Å
130A90.5Very high87.3Confident0 Ų028.7 Ų28.70%017%0.169CC..EExtended strand (participates in β ladder)trans-131.1150.7167.300000110.4S88 Q90 L99 A101 I107 I127 V138 A139S88-A130 WeakPolarHBondContact CB-O 3.48Å; S88-A130 WeakPolarHBondContact OG-CB 3.25Å; S88-A130 PolarHBondContact OG-O 2.96Å; Q90-A130 PolarHBondContact NE2-O 2.83Å; L99-A130 HydrophobicContact CD2-CB 3.73Å; A101-A130 HydrophobicContact CB-CB 3.72Å; I107-A130 HydrophobicContact CD1-CB 4.33Å; I127-A130 HydrophobicContact CG2-CB 4.41Å; A130-V138 CarbonylContact C-O 3.56Å; A130-V138 WeakPolarHBondContact CA-O 3.49Å; A130-A139 HydrophobicContact CB-CB 3.94Å
131K87.9Confident87.6Confident15 Ų1524.7 Ų24.77%0.06515%0.15CC..EExtended strand (participates in β ladder)trans-135.7137.5-178.1-66.5-75.7170.5-63.50109.5S129 V138 D179 V180S129-K131 PolarHBondContact OG-NZ 2.8Å; K131-V138 PolarHBondContact N-O 2.96Å; K131-V138 PolarHBondContact O-N 3.18Å; K131-D179 IonicContact NZ-OD1 3.72Å; K131-V180 WeakPolarHBondContact CE-O 3.46Å; K131-V180 HydrophobicContact CG-CB 4.34Å; K131-V180 VanDerWaalsContact CG-O 3.3Å; K131-V180 WeakPolarHBondContact CG-O 3.48Å
132L85.2Confident87.9Confident1 Ų128.1 Ų28.11%0.00517%0.165CC..EExtended strand (participates in β ladder)trans-104120.9172.5-178.669000108H92 F97 L99 V137 I151H92-L132 HydrophobicContact CB-CD2 4.12Å; F97-L132 HydrophobicContact CB-CD2 3.75Å; L99-L132 HydrophobicContact CB-CB 4.45Å; L99-L132 HydrophobicContact CD2-CB 4.36Å; L132-V137 HydrophobicContact CD1-CG2 3.71Å; L132-I151 HydrophobicContact CD1-CD1 3.68Å; L132-I151 HydrophobicContact CD1-CG1 4.31Å
133T80.2Confident88.1Confident4 Ų430.8 Ų30.83%0.02517%0.174CC..  trans-101.5176.9166.868.60000109.7N135 Q136 V182T133-N135 PolarHBondContact O-N 2.93Å; T133-Q136 PolarHBondContact N-O 3.12Å; T133-Q136 PolarHBondContact O-N 3.4Å; T133-Q136 WeakPolarHBondContact OG1-CB 3.23Å; T133-Q136 PolarHBondContact OG1-N 3.29Å; T133-Q136 PolarHBondContact OG1-O 2.98Å; T133-V182 HydrophobicContact CG2-CB 4.23Å; T133-V182 HydrophobicContact CG2-CG1 4.06Å; T133-V182 HydrophobicContact CG2-CG2 3.56Å
134A74.9Confident88.4Confident22 Ų2231 Ų3118%0.18218%0.175CC..SBendtrans-50.6-37.6-176.200000114.4L95L95-A134 WeakPolarHBondContact CD1-O 3.31Å
135N81.3Confident89Confident92 Ų9227.7 Ų27.749%0.49215%0.153SC..SBendtrans-129.93.3-178.1-71.1-0.4000113.7T133 I151T133-N135 PolarHBondContact O-N 2.93Å; N135-I151 VanDerWaalsContact C-CD1 3.48Å; N135-I151 PolarHBondContact O-N 2.84Å
136Q87.4Confident89.5Confident16 Ų1626.3 Ų26.38%0.07514%0.138CC..EExtended strand (participates in β ladder)trans-139.8147-171-52.2-176.1-26.200112.3T133 V148 W149 G188T133-Q136 PolarHBondContact N-O 3.12Å; T133-Q136 PolarHBondContact O-N 3.4Å; T133-Q136 WeakPolarHBondContact OG1-CB 3.23Å; T133-Q136 PolarHBondContact OG1-N 3.29Å; T133-Q136 PolarHBondContact OG1-O 2.98Å; Q136-V148 HydrophobicContact CB-CG1 3.9Å; Q136-V148 HydrophobicContact CG-CG1 4.4Å; Q136-W149 CarbonylContact C-O 3.53Å; Q136-W149 WeakPolarHBondContact CA-O 3.35Å; Q136-W149 WeakPolarHBondContact CB-O 3.33Å; Q136-G188 PolarHBondContact OE1-O 2.99Å
137V89.8Confident89.7Confident0 Ų024.7 Ų24.70%013%0.126CC..EExtended strand (participates in β ladder)trans-104.2132.3167.4178.30000107.7L99 I107 F119 L121 L132 V148 W149 I151L99-V137 HydrophobicContact CD1-CG1 4.05Å; L99-V137 HydrophobicContact CD1-CG2 4.32Å; I107-V137 HydrophobicContact CD1-CG1 4.21Å; I107-V137 HydrophobicContact CG2-CG1 4.22Å; F119-V137 HydrophobicContact CZ-CG2 4.3Å; L121-V137 HydrophobicContact CD1-CB 4.18Å; L121-V137 HydrophobicContact CD1-CG1 4.15Å; L121-V137 HydrophobicContact CD1-CG2 4.37Å; L132-V137 HydrophobicContact CD1-CG2 3.71Å; V137-V148 CarbonylContact O-C 3.52Å; V137-V148 VanDerWaalsContact O-CA 3.25Å; V137-V148 WeakPolarHBondContact O-CA 3.21Å; V137-W149 HydrophobicContact CB-CB 4.45Å; V137-W149 HydrophobicContact CB-CE3 4.49Å; V137-W149 HydrophobicContact CG1-CE3 4.38Å; V137-W149 PolarHBondContact N-O 3.35Å; V137-W149 PolarHBondContact O-N 3.15Å; V137-I151 HydrophobicContact CG2-CG1 4.35Å
138V91.6Very high89.8Confident1 Ų124.4 Ų24.41%0.00613%0.125CC..EExtended strand (participates in β ladder)trans-120.5131.8178.1-175.70000108.4A130 K131 L146 R147 V148 V180 I191A130-V138 CarbonylContact C-O 3.56Å; A130-V138 WeakPolarHBondContact CA-O 3.49Å; K131-V138 PolarHBondContact N-O 2.96Å; K131-V138 PolarHBondContact O-N 3.18Å; V138-L146 HydrophobicContact CG1-CD1 3.39Å; V138-L146 HydrophobicContact CG1-CG 4.36Å; V138-R147 WeakPolarHBondContact CA-O 3.25Å; V138-V148 HydrophobicContact CG1-CG2 4.17Å; V138-V148 HydrophobicContact CG2-CG1 4.06Å; V138-V148 HydrophobicContact CG2-CG2 4.1Å; V138-V180 HydrophobicContact CB-CG1 4.48Å; V138-V180 HydrophobicContact CG1-CG1 3.6Å; V138-I191 HydrophobicContact CB-CD1 4.44Å; V138-I191 HydrophobicContact CG1-CD1 3.8Å; V138-I191 HydrophobicContact CG1-CG2 4.08Å; V138-I191 HydrophobicContact CG2-CD1 3.71Å
139A92.7Very high89.8Confident0 Ų023.1 Ų23.10%011%0.114CC..EExtended strand (participates in β ladder)trans-142.8154.117700000113.1I107 S129 A130 L146 R147 W149I107-A139 HydrophobicContact CD1-CB 3.65Å; S129-A139 WeakPolarHBondContact O-CA 3.06Å; A130-A139 HydrophobicContact CB-CB 3.94Å; A139-L146 WeakPolarHBondContact O-CA 3.42Å; A139-R147 PolarHBondContact N-O 3.21Å; A139-R147 PolarHBondContact O-N 2.85Å; A139-W149 HydrophobicContact CB-CH2 4.21Å; A139-W149 HydrophobicContact CB-CZ3 3.76Å
140G93.7Very high89.8Confident0 Ų025 Ų250%012%0.124CC..EExtended strand (participates in β ladder)trans-159163.5173.100000112C128 S129C128-G140 PolarHBondContact N-O 3.1Å; S129-G140 PolarHBondContact N-O 3.1Å; S129-G140 VanDerWaalsContact N-O 3.11Å; S129-G140 PolarHBondContact O-N 3.24Å
141G94Very high89.5Confident0 Ų025.5 Ų25.50%013%0.126CC..EExtended strand (participates in β ladder)trans-172.6-147177.700000115.2L126 L144 W176 I177L126-G141 CarbonylContact O-C 3.58Å; L126-G141 VanDerWaalsContact O-CA 3.26Å; L126-G141 WeakPolarHBondContact O-CA 3.46Å; G141-L144 PolarHBondContact N-O 2.8Å; G141-L144 VanDerWaalsContact N-O 3.13Å; G141-W176 WeakPolarHBondContact O-CA 3.38Å; G141-I177 PolarHBondContact O-N 3.07Å
142K93Very high89.4Confident78 Ų7830.8 Ų30.834%0.33916%0.155SC..EExtended strand (participates in β ladder)trans-81.8123.9-178.8-172.3-176.2176-1680109.5L126 L144 W176L126-K142 HydrophobicContact CB-CB 4.2Å; L126-K142 HydrophobicContact CD1-CB 4.39Å; L126-K142 HydrophobicContact CD1-CD 4.14Å; L126-K142 PolarHBondContact O-N 3.42Å; K142-L144 PolarHBondContact O-N 3.28Å; K142-W176 HydrophobicContact CB-CD2 4.41Å; K142-W176 HydrophobicContact CB-CG 4.23Å; K142-W176 HydrophobicContact CD-CD2 4.3Å; K142-W176 HydrophobicContact CD-CH2 4.27Å; K142-W176 HydrophobicContact CD-CZ2 3.98Å; K142-W176 HydrophobicContact CG-CD2 3.96Å; K142-W176 HydrophobicContact CG-CE3 4.45Å; K142-W176 HydrophobicContact CG-CG 4.12Å; K142-W176 HydrophobicContact CG-CZ2 4.46Å
143E91.6Very high89.5Confident164 Ų16435.8 Ų35.877%0.76618%0.182SC*.SBendtrans586.9-172.9-64.1169.5-16400114.1I175E143-I175 WeakPolarHBondContact CA-O 3.49Å; E143-I175 PolarHBondContact N-O 2.94Å
144L92.9Very high89.6Confident5 Ų539.4 Ų39.43%0.02620%0.199CC..  trans-112106.8-178.917867.1000109V123 I127 G141 K142V123-L144 HydrophobicContact CG1-CD1 3.62Å; V123-L144 HydrophobicContact CG1-CD2 3.48Å; V123-L144 VanDerWaalsContact CG1-CD2 3.48Å; V123-L144 HydrophobicContact CG1-CG 4.12Å; I127-L144 HydrophobicContact CG1-CD2 3.88Å; G141-L144 PolarHBondContact N-O 2.8Å; G141-L144 VanDerWaalsContact N-O 3.13Å; K142-L144 PolarHBondContact O-N 3.28Å
145A94Very high90Very high17 Ų1741.9 Ų41.914%0.1423%0.226CC..  trans-65.2159.2173.600000111.5R147 A161 I175A145-R147 PolarHBondContact O-N 3.47Å; A145-A161 HydrophobicContact CB-CB 4Å; A145-I175 HydrophobicContact CB-CD1 3.94Å
146L95.2Very high90.4Very high0 Ų041 Ų410%023%0.227CC..  trans-54.6125.9178.3-176.870.7000111V138 A139 F159 A161 I177 V180 I191 T193 Y203V138-L146 HydrophobicContact CG1-CD1 3.39Å; V138-L146 HydrophobicContact CG1-CG 4.36Å; A139-L146 WeakPolarHBondContact O-CA 3.42Å; L146-F159 HydrophobicContact CD2-CE1 4.48Å; L146-A161 HydrophobicContact CB-CB 3.94Å; L146-A161 WeakPolarHBondContact O-CB 3.39Å; L146-A161 PolarHBondContact O-N 3.36Å; L146-I177 HydrophobicContact CB-CD1 4.19Å; L146-V180 HydrophobicContact CD1-CG1 4.14Å; L146-V180 HydrophobicContact CD1-CG2 4.24Å; L146-I191 HydrophobicContact CD1-CG2 4.17Å; L146-I191 HydrophobicContact CD2-CB 4.1Å; L146-I191 HydrophobicContact CD2-CD1 4.24Å; L146-I191 HydrophobicContact CD2-CG2 3.87Å; L146-T193 HydrophobicContact CB-CG2 4.29Å; L146-T193 HydrophobicContact CD1-CG2 3.76Å; L146-T193 HydrophobicContact CD2-CG2 3.96Å; L146-T193 HydrophobicContact CG-CG2 4.23Å; L146-Y203 HydrophobicContact CB-CE2 4.38Å; L146-Y203 HydrophobicContact CD2-CD1 4.42Å; L146-Y203 HydrophobicContact CD2-CD2 3.46Å; L146-Y203 VanDerWaalsContact CD2-CD2 3.46Å; L146-Y203 HydrophobicContact CD2-CE2 3.98Å; L146-Y203 HydrophobicContact CD2-CG 3.71Å
147R94.4Very high90.6Very high56 Ų5642.3 Ų42.321%0.21124%0.237CC..EExtended strand (participates in β ladder)trans-124.3146.5172.5-70.3-173.9-167.6164.210110.5V123 V138 A139 A145 W149 F159 T160V123-R147 PolarHBondContact O-NH1 3.23Å; V138-R147 WeakPolarHBondContact CA-O 3.25Å; A139-R147 PolarHBondContact N-O 3.21Å; A139-R147 PolarHBondContact O-N 2.85Å; A145-R147 PolarHBondContact O-N 3.47Å; R147-W149 HydrophobicContact CB-CE3 4.2Å; R147-W149 HydrophobicContact CB-CH2 3.13Å; R147-W149 HydrophobicContact CB-CZ2 3.66Å; R147-W149 HydrophobicContact CB-CZ3 3.43Å; R147-W149 VanDerWaalsContact CB-CZ3 3.43Å; R147-W149 HydrophobicContact CG-CH2 4.08Å; R147-W149 HydrophobicContact CG-CZ2 4.32Å; R147-W149 WeakPolarHBondContact O-CZ3 3.37Å; R147-F159 CarbonylContact C-O 3.46Å; R147-F159 VanDerWaalsContact CA-O 3.23Å; R147-F159 WeakPolarHBondContact CA-O 3.34Å; R147-T160 HydrophobicContact CG-CG2 4.11Å
148V93.7Very high90.7Very high0 Ų045.8 Ų45.80%026%0.255CS..EExtended strand (participates in β ladder)trans-131.9130.5178.6-171.90000109.3Q136 V137 V138 P157 I158 F159 I191 L205Q136-V148 HydrophobicContact CB-CG1 3.9Å; Q136-V148 HydrophobicContact CG-CG1 4.4Å; V137-V148 CarbonylContact O-C 3.52Å; V137-V148 VanDerWaalsContact O-CA 3.25Å; V137-V148 WeakPolarHBondContact O-CA 3.21Å; V138-V148 HydrophobicContact CG1-CG2 4.17Å; V138-V148 HydrophobicContact CG2-CG1 4.06Å; V138-V148 HydrophobicContact CG2-CG2 4.1Å; V148-P157 CarbonylContact O-C 3.57Å; V148-P157 WeakPolarHBondContact O-CA 3.35Å; V148-I158 PolarHBondContact O-N 3.08Å; V148-F159 HydrophobicContact CB-CB 3.88Å; V148-F159 HydrophobicContact CG2-CB 4.04Å; V148-F159 HydrophobicContact CG2-CD1 4.36Å; V148-F159 PolarHBondContact N-O 3.25Å; V148-F159 PolarHBondContact O-N 3.08Å; V148-I191 HydrophobicContact CG2-CD1 3.61Å; V148-L205 HydrophobicContact CB-CD2 4.17Å; V148-L205 HydrophobicContact CG1-CD2 4.06Å; V148-L205 HydrophobicContact CG2-CD2 4.02Å
149W92Very high90.8Very high11 Ų1145.9 Ų45.94%0.04226%0.256CS..EExtended strand (participates in β ladder)trans-115.8147.8177.6-63.1-101.8000110L121 V123 Q136 V137 A139 R147 P157L121-W149 HydrophobicContact CD1-CB 4Å; L121-W149 HydrophobicContact CD1-CD2 3.98Å; L121-W149 HydrophobicContact CD1-CE3 4.36Å; L121-W149 HydrophobicContact CD1-CG 3.81Å; L121-W149 HydrophobicContact CD2-CG 4.11Å; V123-W149 HydrophobicContact CB-CH2 4.16Å; V123-W149 HydrophobicContact CB-CZ2 4.29Å; V123-W149 HydrophobicContact CG1-CH2 3.62Å; V123-W149 HydrophobicContact CG1-CZ2 3.98Å; V123-W149 HydrophobicContact CG2-CH2 3.44Å; V123-W149 VanDerWaalsContact CG2-CH2 3.44Å; V123-W149 HydrophobicContact CG2-CZ2 3.63Å; V123-W149 HydrophobicContact CG2-CZ3 4.34Å; Q136-W149 CarbonylContact C-O 3.53Å; Q136-W149 WeakPolarHBondContact CA-O 3.35Å; Q136-W149 WeakPolarHBondContact CB-O 3.33Å; V137-W149 HydrophobicContact CB-CB 4.45Å; V137-W149 HydrophobicContact CB-CE3 4.49Å; V137-W149 HydrophobicContact CG1-CE3 4.38Å; V137-W149 PolarHBondContact N-O 3.35Å; V137-W149 PolarHBondContact O-N 3.15Å; A139-W149 HydrophobicContact CB-CH2 4.21Å; A139-W149 HydrophobicContact CB-CZ3 3.76Å; R147-W149 HydrophobicContact CB-CE3 4.2Å; R147-W149 HydrophobicContact CB-CH2 3.13Å; R147-W149 HydrophobicContact CB-CZ2 3.66Å; R147-W149 HydrophobicContact CB-CZ3 3.43Å; R147-W149 VanDerWaalsContact CB-CZ3 3.43Å; R147-W149 HydrophobicContact CG-CH2 4.08Å; R147-W149 HydrophobicContact CG-CZ2 4.32Å; R147-W149 WeakPolarHBondContact O-CZ3 3.37Å; W149-P157 HydrophobicContact CD2-CB 4.31Å; W149-P157 HydrophobicContact CG-CB 4.35Å; W149-P157 HydrophobicContact CZ2-CB 4.47Å
150D89.1Confident90.9Very high42 Ų4248.4 Ų48.423%0.22527%0.271CS..EExtended strand (participates in β ladder)trans-80.6139.9165.8-154.2-40.1000107.7N152 N153 H154 I158D150-N152 VanDerWaalsContact C-N 3.28Å; D150-N152 PolarHBondContact OD1-N 2.88Å; D150-N152 VanDerWaalsContact OD1-N 3.1Å; D150-N153 HydrophobicContact CB-CB 4.15Å; D150-N153 CarbonylContact O-C 3.59Å; D150-H154 WeakPolarHBondContact O-CA 3.36Å; D150-H154 PolarHBondContact O-N 3.24Å; D150-I158 HydrophobicContact CB-CD1 3.42Å; D150-I158 VanDerWaalsContact CB-CD1 3.42Å; D150-I158 HydrophobicContact CB-CG1 3.92Å
151I84.6Confident90.9Very high11 Ų1148.7 Ų48.76%0.05627%0.274CS..SBendtrans-64.6-39.3172.8-67.7174000110.1L95 F97 F119 L132 N135 V137 H154L95-I151 HydrophobicContact CD1-CD1 3.65Å; L95-I151 HydrophobicContact CD1-CG2 4.2Å; F97-I151 HydrophobicContact CE2-CG2 3.91Å; F119-I151 HydrophobicContact CE1-CG2 3.88Å; F119-I151 HydrophobicContact CZ-CG1 4.35Å; F119-I151 HydrophobicContact CZ-CG2 4.24Å; L132-I151 HydrophobicContact CD1-CD1 3.68Å; L132-I151 HydrophobicContact CD1-CG1 4.31Å; N135-I151 VanDerWaalsContact C-CD1 3.48Å; N135-I151 PolarHBondContact O-N 2.84Å; V137-I151 HydrophobicContact CG2-CG1 4.35Å; I151-H154 PolarHBondContact O-ND1 2.88Å
152N86.4Confident90.9Very high126 Ų12654.8 Ų54.867%0.67430%0.3SS*.SBendtrans-77.6-29-176.7-59.7-55.5000112.6D150D150-N152 VanDerWaalsContact C-N 3.28Å; D150-N152 PolarHBondContact OD1-N 2.88Å; D150-N152 VanDerWaalsContact OD1-N 3.1Å
153N86.6Confident90.8Very high106 Ų10653.3 Ų53.357%0.56730%0.296SS*.  trans-12978.1179.9-172.52.2000110.1D150D150-N153 HydrophobicContact CB-CB 4.15Å; D150-N153 CarbonylContact O-C 3.59Å
154H82Confident90.6Very high80 Ų8046.7 Ų46.737%0.3727%0.267SS..  trans-89.2-5-172.852.9-96.3000114.1F119 L121 D150 I151 S156F119-H154 HydrophobicContact CD2-CB 4.08Å; F119-H154 HydrophobicContact CE2-CB 4.31Å; L121-H154 HydrophobicContact CD2-CB 3.69Å; L121-H154 WeakPolarHBondContact CD2-O 3.14Å; D150-H154 WeakPolarHBondContact O-CA 3.36Å; D150-H154 PolarHBondContact O-N 3.24Å; I151-H154 PolarHBondContact O-ND1 2.88Å; H154-S156 PolarHBondContact O-N 2.76Å
155G84.4Confident90.1Very high74 Ų7456 Ų5676%0.76330%0.301SS*.SBendtrans-64.2-26.4-176.400000114.2
156S89.3Confident89.3Confident73 Ų7357.7 Ų57.751%0.5131%0.312SS..SBendtrans-146.7151.9172.866.50000111.1H154 I158H154-S156 PolarHBondContact O-N 2.76Å; S156-I158 PolarHBondContact O-N 2.99Å
157P91.9Very high88.1Confident44 Ų4461.8 Ų61.829%0.28634%0.341SS..  trans-68.8128.817827-33.3000111.2V148 W149 F159 T160V148-P157 CarbonylContact O-C 3.57Å; V148-P157 WeakPolarHBondContact O-CA 3.35Å; W149-P157 HydrophobicContact CD2-CB 4.31Å; W149-P157 HydrophobicContact CG-CB 4.35Å; W149-P157 HydrophobicContact CZ2-CB 4.47Å; P157-F159 PolarHBondContact O-N 3.02Å; P157-T160 WeakPolarHBondContact CG-OG1 3.3Å
158I91.9Very high87.1Confident74 Ų7466 Ų6638%0.37937%0.372SS..SBendtrans-58.5-38.7170-53.4165.8000110.1V148 D150 S156 R210V148-I158 PolarHBondContact O-N 3.08Å; D150-I158 HydrophobicContact CB-CD1 3.42Å; D150-I158 VanDerWaalsContact CB-CD1 3.42Å; D150-I158 HydrophobicContact CB-CG1 3.92Å; S156-I158 PolarHBondContact O-N 2.99Å; I158-R210 PolarHBondContact O-NH1 2.9Å; I158-R210 PolarHBondContact O-NH2 2.65Å; I158-R210 VanDerWaalsContact O-NH2 3.12Å
159F93.8Very high86.3Confident3 Ų372.4 Ų72.41%0.01341%0.406CS..EExtended strand (participates in β ladder)trans-130.5133.8-178.3-170.1-83.4000112.9L146 R147 V148 P157 A161 Y203 L205 Q209 R210L146-F159 HydrophobicContact CD2-CE1 4.48Å; R147-F159 CarbonylContact C-O 3.46Å; R147-F159 VanDerWaalsContact CA-O 3.23Å; R147-F159 WeakPolarHBondContact CA-O 3.34Å; V148-F159 HydrophobicContact CB-CB 3.88Å; V148-F159 HydrophobicContact CG2-CB 4.04Å; V148-F159 HydrophobicContact CG2-CD1 4.36Å; V148-F159 PolarHBondContact N-O 3.25Å; V148-F159 PolarHBondContact O-N 3.08Å; P157-F159 PolarHBondContact O-N 3.02Å; F159-A161 HydrophobicContact CE1-CB 3.94Å; F159-Y203 AromaticContact CE1-CD1 3.98Å; F159-Y203 HydrophobicContact CE1-CD1 3.98Å; F159-Y203 AromaticContact CZ-CD1 3.84Å; F159-Y203 HydrophobicContact CZ-CD1 3.84Å; F159-L205 HydrophobicContact CB-CD2 4.09Å; F159-L205 HydrophobicContact CD2-CG 4.17Å; F159-L205 HydrophobicContact CG-CD2 4.4Å; F159-L205 HydrophobicContact CG-CG 4.4Å; F159-Q209 WeakPolarHBondContact CE2-O 3.33Å; F159-R210 VanDerWaalsContact CA-NH1 3.26Å
160T94.3Very high85.6Confident53 Ų5379.8 Ų79.833%0.32544%0.441SS..EExtended strand (participates in β ladder)trans-133.8120168-63.10000107.7R147 P157 R210R147-T160 HydrophobicContact CG-CG2 4.11Å; P157-T160 WeakPolarHBondContact CG-OG1 3.3Å; T160-R210 WeakPolarHBondContact O-CD 3.42Å
161A95Very high85.3Confident6 Ų683.5 Ų83.55%0.0546%0.46CS..PPolyproline II helixtrans-64136.5177.300000110.3A145 L146 F159 Y203 R210A145-A161 HydrophobicContact CB-CB 4Å; L146-A161 HydrophobicContact CB-CB 3.94Å; L146-A161 WeakPolarHBondContact O-CB 3.39Å; L146-A161 PolarHBondContact O-N 3.36Å; F159-A161 HydrophobicContact CE1-CB 3.94Å; A161-Y203 HydrophobicContact CB-CD1 4.36Å; A161-Y203 HydrophobicContact CB-CE1 3.58Å; A161-R210 CarbonylContact C-O 3.57Å; A161-R210 VanDerWaalsContact CA-O 3.25Å; A161-R210 WeakPolarHBondContact CA-O 3.25Å
162K93Very high85.4Confident127 Ų12787.7 Ų87.755%0.55249%0.49SS*.PPolyproline II helixtrans-86.2143.9167.7-75.3-175.2-180-1750108.6V164 R210 R211K162-V164 PolarHBondContact O-N 2.71Å; K162-R210 HydrophobicContact CB-CB 4.02Å; K162-R210 HydrophobicContact CD-CB 3.98Å; K162-R210 HydrophobicContact CD-CG 4.48Å; K162-R210 HydrophobicContact CG-CB 3.69Å; K162-R210 HydrophobicContact CG-CG 4.41Å; K162-R210 PolarHBondContact N-O 3.08Å; K162-R211 HydrophobicContact CB-CG 4.09Å
163N91.2Very high85.4Confident48 Ų4883.7 Ų83.726%0.25747%0.471SS..PPolyproline II helixtrans-54.5145.1169.4-158-19.7000109.8V173 I175 R211N163-V173 PolarHBondContact ND2-N 3.43Å; N163-V173 PolarHBondContact ND2-O 2.9Å; N163-V173 PolarHBondContact OD1-O 3.43Å; N163-I175 HydrophobicContact CB-CD1 4.4Å; N163-R211 PolarHBondContact O-NE 3.11Å
164V86.9Confident85.5Confident25 Ų2582.5 Ų82.515%0.15247%0.468CS..PPolyproline II helixtrans-61.6162.4176.1-78.70000111.4K162 S166 V173 P212K162-V164 PolarHBondContact O-N 2.71Å; V164-S166 PolarHBondContact O-N 2.94Å; V164-V173 HydrophobicContact CG2-CB 3.76Å; V164-V173 HydrophobicContact CG2-CG1 4.12Å; V164-V173 HydrophobicContact CG2-CG2 3.66Å; V164-P212 HydrophobicContact CG1-CG 3.67Å
165R83.3Confident86Confident199 Ų19980.6 Ų80.675%0.75146%0.461SS*.PPolyproline II helixtrans-59.1130.7175.2-66.8-175.7-174.3168.21.8108.5
166S75.5Confident86.5Confident54 Ų5481.1 Ų81.138%0.37844%0.44SS..PPolyproline II helixtrans-61.4155173.845.20000110.3V164 E170 L171V164-S166 PolarHBondContact O-N 2.94Å; S166-E170 WeakPolarHBondContact CB-O 3.28Å; S166-E170 WeakPolarHBondContact OG-CA 3.14Å; S166-E170 PolarHBondContact OG-O 3.2Å; S166-L171 WeakPolarHBondContact CB-O 3.21Å
167S70.2Confident86.8Confident85 Ų8578 Ų7859%0.59442%0.417SS*.  trans-79.4-164.5173.370.20000110.1L169 E170S167-L169 PolarHBondContact O-N 2.85Å; S167-E170 PolarHBondContact O-N 2.91Å
168V74.6Confident86.9Confident145 Ų14576 Ų7688%0.87940%0.404SS*.THydrogen-bonded Turntrans-51.9-29.4178.7-177.10000113.3E170V168-E170 VanDerWaalsContact C-N 3.26Å; V168-E170 PolarHBondContact O-N 2.95Å
169L76.2Confident87.1Confident134 Ų13472.9 Ų72.970%0.70239%0.388SS*.THydrogen-bonded Turntrans-81.2-1-178.7-63.3176.3000113.9S167 L171S167-L169 PolarHBondContact O-N 2.85Å; L169-L171 HydrophobicContact CB-CD1 4.31Å; L169-L171 HydrophobicContact CB-CG 4.3Å; L169-L171 PolarHBondContact O-N 3.43Å
170E77.4Confident87Confident166 Ų16672.7 Ų72.778%0.77639%0.388SS*.  trans56.33.2-178.7-61.7-170.9168.500116.3S166 S167 V168S166-E170 WeakPolarHBondContact CB-O 3.28Å; S166-E170 WeakPolarHBondContact OG-CA 3.14Å; S166-E170 PolarHBondContact OG-O 3.2Å; S167-E170 PolarHBondContact O-N 2.91Å; V168-E170 VanDerWaalsContact C-N 3.26Å; V168-E170 PolarHBondContact O-N 2.95Å
171L83.9Confident86.8Confident121 Ų12170.3 Ų70.363%0.63437%0.373SS*.PPolyproline II helixtrans-71.3148.1178-65.4173.7000113.1S166 L169 V173S166-L171 WeakPolarHBondContact CB-O 3.21Å; L169-L171 HydrophobicContact CB-CD1 4.31Å; L169-L171 HydrophobicContact CB-CG 4.3Å; L169-L171 PolarHBondContact O-N 3.43Å; L171-V173 PolarHBondContact O-N 3.31Å
172S85Confident86.5Confident98 Ų9870 Ų7069%0.68537%0.37SS*.PPolyproline II helixtrans-61.9128.7170.657.20000110.8
173V87.2Confident86.1Confident43 Ų4364 Ų6426%0.26134%0.344SS..PPolyproline II helixtrans-70.6131.9175.7-179.80000108.9N163 V164 L171N163-V173 PolarHBondContact ND2-N 3.43Å; N163-V173 PolarHBondContact ND2-O 2.9Å; N163-V173 PolarHBondContact OD1-O 3.43Å; V164-V173 HydrophobicContact CG2-CB 3.76Å; V164-V173 HydrophobicContact CG2-CG1 4.12Å; V164-V173 HydrophobicContact CG2-CG2 3.66Å; L171-V173 PolarHBondContact O-N 3.31Å
174P89.7Confident85.5Confident80 Ų8061.8 Ų61.852%0.51933%0.332SS..PPolyproline II helixtrans-63.5141.3178.826.6-35.4000111.2Y197P174-Y197 HydrophobicContact CB-CE2 3.88Å; P174-Y197 HydrophobicContact CG-CE2 4.12Å
175I92Very high84.9Confident41 Ų4164.8 Ų64.821%0.2134%0.344CS..  trans-115.4125.7-177.5-58.4176.2000108.4E143 A145 N163 I177E143-I175 WeakPolarHBondContact CA-O 3.49Å; E143-I175 PolarHBondContact N-O 2.94Å; A145-I175 HydrophobicContact CB-CD1 3.94Å; N163-I175 HydrophobicContact CB-CD1 4.4Å; I175-I177 HydrophobicContact CG2-CD1 4.49Å; I175-I177 HydrophobicContact CG2-CG1 4.19Å
176W94.3Very high84.5Confident84 Ų8455.4 Ų55.432%0.31831%0.308SS..BIsolated β-bridgetrans-148.984.5171.9-163.2-14.6000110G141 K142 S178 S195 R196 Y197G141-W176 WeakPolarHBondContact O-CA 3.38Å; K142-W176 HydrophobicContact CB-CD2 4.41Å; K142-W176 HydrophobicContact CB-CG 4.23Å; K142-W176 HydrophobicContact CD-CD2 4.3Å; K142-W176 HydrophobicContact CD-CH2 4.27Å; K142-W176 HydrophobicContact CD-CZ2 3.98Å; K142-W176 HydrophobicContact CG-CD2 3.96Å; K142-W176 HydrophobicContact CG-CE3 4.45Å; K142-W176 HydrophobicContact CG-CG 4.12Å; K142-W176 HydrophobicContact CG-CZ2 4.46Å; W176-S178 PolarHBondContact O-N 3.32Å; W176-S195 CarbonylContact O-C 3.58Å; W176-S195 WeakPolarHBondContact O-CA 3.23Å; W176-S195 WeakPolarHBondContact O-CB 3.26Å; W176-R196 HydrophobicContact CB-CB 4.13Å; W176-R196 HydrophobicContact CB-CG 4.4Å; W176-R196 HydrophobicContact CD2-CB 3.94Å; W176-R196 HydrophobicContact CD2-CG 3.82Å; W176-R196 HydrophobicContact CE3-CB 4.32Å; W176-R196 HydrophobicContact CG-CB 3.83Å; W176-R196 HydrophobicContact CG-CG 3.67Å; W176-R196 PolarHBondContact O-N 3.31Å; W176-Y197 HydrophobicContact CB-CD2 4.13Å; W176-Y197 HydrophobicContact CB-CE2 3.58Å
177I95.7Very high84.6Confident8 Ų858 Ų584%0.04132%0.318CS..EExtended strand (participates in β ladder)trans-71.7122.2177.4-61.2173.6000107.5C128 G141 L146 I175 D179 V180 T193 A194C128-I177 WeakPolarHBondContact CB-O 3.22Å; G141-I177 PolarHBondContact O-N 3.07Å; L146-I177 HydrophobicContact CB-CD1 4.19Å; I175-I177 HydrophobicContact CG2-CD1 4.49Å; I175-I177 HydrophobicContact CG2-CG1 4.19Å; I177-D179 WeakPolarHBondContact CG2-O 3.38Å; I177-V180 HydrophobicContact CG2-CG2 3.71Å; I177-T193 HydrophobicContact CD1-CG2 4.39Å; I177-A194 CarbonylContact C-O 3.55Å; I177-A194 WeakPolarHBondContact CA-O 3.24Å
178S94.7Very high85.1Confident2 Ų254 Ų541%0.01429%0.29CS..EExtended strand (participates in β ladder)trans-92.5-35.5176.855.60000112.1W176 A194 I247W176-S178 PolarHBondContact O-N 3.32Å; S178-A194 PolarHBondContact N-O 3.18Å; S178-A194 PolarHBondContact OG-O 3.28Å; S178-A194 VanDerWaalsContact OG-O 3.05Å; S178-I247 WeakPolarHBondContact CB-O 3.35Å; S178-I247 PolarHBondContact OG-O 3Å
179D94.4Very high85.6Confident8 Ų850.7 Ų50.74%0.04326%0.264CS..EExtended strand (participates in β ladder)trans-152.3155-178.8-157.513.9000111.5S129 K131 I177 A194 K249 A250S129-D179 PolarHBondContact OG-OD1 3.12Å; K131-D179 IonicContact NZ-OD1 3.72Å; I177-D179 WeakPolarHBondContact CG2-O 3.38Å; D179-A194 HydrophobicContact CB-CB 4.38Å; D179-A194 PolarHBondContact N-O 3.22Å; D179-A194 PolarHBondContact O-N 3.01Å; D179-K249 WeakPolarHBondContact OD2-CA 2.92Å; D179-K249 WeakPolarHBondContact OD2-CD 3.49Å; D179-A250 PolarHBondContact OD2-N 2.94Å
180V93.3Very high86Confident0 Ų044.4 Ų44.40%023%0.231CC..EExtended strand (participates in β ladder)trans-130.5133.8179.2-177.70000108.1S129 K131 V138 L146 I177 I191 T193S129-V180 PolarHBondContact OG-N 2.89Å; K131-V180 WeakPolarHBondContact CE-O 3.46Å; K131-V180 HydrophobicContact CG-CB 4.34Å; K131-V180 VanDerWaalsContact CG-O 3.3Å; K131-V180 WeakPolarHBondContact CG-O 3.48Å; V138-V180 HydrophobicContact CB-CG1 4.48Å; V138-V180 HydrophobicContact CG1-CG1 3.6Å; L146-V180 HydrophobicContact CD1-CG1 4.14Å; L146-V180 HydrophobicContact CD1-CG2 4.24Å; I177-V180 HydrophobicContact CG2-CG2 3.71Å; V180-I191 HydrophobicContact CG1-CG2 3.6Å; V180-T193 HydrophobicContact CG2-CG2 4.35Å
181S90.3Very high86.7Confident2 Ų236.5 Ų36.51%0.01419%0.194CC..EExtended strand (participates in β ladder)trans-136.4130.6178.2170.30000109L192 A250 A252 N333S181-L192 PolarHBondContact N-O 3.16Å; S181-L192 WeakPolarHBondContact O-CA 3.46Å; S181-L192 WeakPolarHBondContact O-CB 3.34Å; S181-L192 PolarHBondContact O-N 2.9Å; S181-L192 VanDerWaalsContact O-O 3.05Å; S181-A250 WeakPolarHBondContact CB-O 3.4Å; S181-A252 PolarHBondContact OG-N 2.97Å; S181-N333 WeakPolarHBondContact CA-OD1 3.23Å; S181-N333 PolarHBondContact OG-ND2 3.39Å; S181-N333 PolarHBondContact OG-OD1 2.84Å
182V88.3Confident87Confident0 Ų030.8 Ų30.80%016%0.164CC..EExtended strand (participates in β ladder)trans-85.8129.4177177.70000108.2T133 P184 E332 N333T133-V182 HydrophobicContact CG2-CB 4.23Å; T133-V182 HydrophobicContact CG2-CG1 4.06Å; T133-V182 HydrophobicContact CG2-CG2 3.56Å; V182-P184 WeakPolarHBondContact O-CD 3.42Å; V182-E332 HydrophobicContact CG1-CB 4.48Å; V182-E332 VanDerWaalsContact CG1-OE2 3.25Å; V182-E332 WeakPolarHBondContact CG1-OE2 3.26Å; V182-N333 PolarHBondContact N-OD1 2.85Å; V182-N333 PolarHBondContact O-ND2 3.17Å; V182-N333 PolarHBondContact O-OD1 3.4Å
183V84.2Confident87.5Confident1 Ų126.3 Ų26.31%0.00613%0.133CC..PPolyproline II helixtrans-68.2129.2-176.3175.70000109.5S186 L190 A252 L261V183-S186 WeakPolarHBondContact O-CB 3.43Å; V183-S186 PolarHBondContact O-N 3.46Å; V183-S186 PolarHBondContact O-OG 3.03Å; V183-L190 HydrophobicContact CB-CB 3.69Å; V183-L190 HydrophobicContact CG1-CB 4.41Å; V183-L190 HydrophobicContact CG1-CD1 4.44Å; V183-L190 HydrophobicContact CG2-CB 3.79Å; V183-L190 PolarHBondContact N-O 2.9Å; V183-A252 HydrophobicContact CG2-CB 4.3Å; V183-L261 HydrophobicContact CB-CD1 4.41Å; V183-L261 HydrophobicContact CG1-CD1 3.53Å; V183-L261 HydrophobicContact CG2-CD1 4.09Å; V183-L261 HydrophobicContact CG2-CD2 3.88Å
184P77.9Confident87.9Confident1 Ų124.3 Ų24.31%0.00612%0.121CC..THydrogen-bonded Turntrans-52.2149.8174.9-33.142.2000113.2V182 S186 A252 D254 D330V182-P184 WeakPolarHBondContact O-CD 3.42Å; P184-S186 PolarHBondContact O-N 3.1Å; P184-A252 WeakPolarHBondContact CG-O 3.27Å; P184-D254 HydrophobicContact CB-CB 4.09Å; P184-D330 WeakPolarHBondContact CA-OD2 3.41Å; P184-D330 HydrophobicContact CB-CB 3.84Å; P184-D330 VanDerWaalsContact CB-OD2 3.27Å; P184-D330 WeakPolarHBondContact CB-OD2 3.42Å; P184-D330 HydrophobicContact CG-CB 4.29Å
185K74.4Confident88.1Confident89 Ų8921.2 Ų21.239%0.38710%0.101SC..THydrogen-bonded Turntrans56.410.8-176.8-57.1-174.7-175.4131.50115.5D254 N255 L286 D330K185-D254 WeakPolarHBondContact CD-OD2 3.35Å; K185-D254 WeakPolarHBondContact CE-OD2 3.3Å; K185-D254 VanDerWaalsContact CG-OD2 3.31Å; K185-D254 WeakPolarHBondContact CG-OD2 3.44Å; K185-D254 IonicContact NZ-OD1 3.51Å; K185-D254 IonicContact NZ-OD2 2.68Å; K185-D254 PolarHBondContact NZ-OD2 3.49Å; K185-N255 PolarHBondContact NZ-OD1 3.43Å; K185-L286 WeakPolarHBondContact O-CD1 3.43Å; K185-D330 WeakPolarHBondContact CG-OD2 3.29Å; K185-D330 PolarHBondContact N-OD2 2.59Å
186S76.4Confident88.1Confident1 Ų123.4 Ų23.41%0.00711%0.107CC..SBendtrans-93.5-2.2179.680.40000114.4V183 P184 G188 K189 L190V183-S186 WeakPolarHBondContact O-CB 3.43Å; V183-S186 PolarHBondContact O-N 3.46Å; V183-S186 PolarHBondContact O-OG 3.03Å; P184-S186 PolarHBondContact O-N 3.1Å; S186-G188 VanDerWaalsContact C-N 3.3Å; S186-G188 PolarHBondContact O-N 3.31Å; S186-K189 WeakPolarHBondContact O-CB 3.36Å; S186-K189 VanDerWaalsContact O-CG 3.25Å; S186-K189 WeakPolarHBondContact O-CG 3.5Å; S186-K189 PolarHBondContact O-N 3.07Å; S186-L190 PolarHBondContact OG-N 3.47Å; S186-L190 PolarHBondContact OG-O 2.88Å
187N77.5Confident87.9Confident109 Ų10923.5 Ų23.558%0.58311%0.108SC*.THydrogen-bonded Turntrans49.247.6-175-65.7-0.6000112.5K189 L286N187-K189 PolarHBondContact O-N 3.07Å; N187-L286 HydrophobicContact CB-CD1 3.84Å; N187-L286 VanDerWaalsContact ND2-CD1 3.32Å; N187-L286 WeakPolarHBondContact ND2-CD1 3.47Å
188G79.8Confident87.6Confident1 Ų123.1 Ų23.11%0.0111%0.106CC..THydrogen-bonded Turntrans68.27-176.500000116.3Q136 S186 E332Q136-G188 PolarHBondContact OE1-O 2.99Å; S186-G188 VanDerWaalsContact C-N 3.3Å; S186-G188 PolarHBondContact O-N 3.31Å; G188-E332 PolarHBondContact N-OE2 2.92Å
189K84.2Confident87.4Confident76 Ų7624.5 Ų24.533%0.3311%0.112SC..  trans-87.4-24-175.2-59.2-53.4179.1-169.40114.5S186 N187 L205 R206S186-K189 WeakPolarHBondContact O-CB 3.36Å; S186-K189 VanDerWaalsContact O-CG 3.25Å; S186-K189 WeakPolarHBondContact O-CG 3.5Å; S186-K189 PolarHBondContact O-N 3.07Å; N187-K189 PolarHBondContact O-N 3.07Å; K189-L205 WeakPolarHBondContact O-CD1 3.42Å; K189-L205 PolarHBondContact O-N 3.16Å; K189-R206 HydrophobicContact CB-CG 3.91Å; K189-R206 HydrophobicContact CD-CG 4.37Å; K189-R206 HydrophobicContact CG-CG 4.07Å
190L86.5Confident87.3Confident2 Ų224.1 Ų24.11%0.0111%0.11CC..EExtended strand (participates in β ladder)trans-113.1125.7176.3-71.1174.2000109.1V183 S186 Y203 D204 Y283V183-L190 HydrophobicContact CB-CB 3.69Å; V183-L190 HydrophobicContact CG1-CB 4.41Å; V183-L190 HydrophobicContact CG1-CD1 4.44Å; V183-L190 HydrophobicContact CG2-CB 3.79Å; V183-L190 PolarHBondContact N-O 2.9Å; S186-L190 PolarHBondContact OG-N 3.47Å; S186-L190 PolarHBondContact OG-O 2.88Å; L190-Y203 WeakPolarHBondContact CA-O 3.39Å; L190-D204 HydrophobicContact CD2-CB 3.64Å; L190-Y283 WeakPolarHBondContact CD1-O 3.27Å; L190-Y283 HydrophobicContact CD2-CD1 4.42Å
191I90.6Very high87.2Confident0 Ų024.9 Ų24.90%011%0.114CC..EExtended strand (participates in β ladder)trans-125.3122.5-177.2-52.9-179.4000109.1V138 L146 V148 V180 T193 I202 Y203 L205V138-I191 HydrophobicContact CB-CD1 4.44Å; V138-I191 HydrophobicContact CG1-CD1 3.8Å; V138-I191 HydrophobicContact CG1-CG2 4.08Å; V138-I191 HydrophobicContact CG2-CD1 3.71Å; L146-I191 HydrophobicContact CD1-CG2 4.17Å; L146-I191 HydrophobicContact CD2-CB 4.1Å; L146-I191 HydrophobicContact CD2-CD1 4.24Å; L146-I191 HydrophobicContact CD2-CG2 3.87Å; V148-I191 HydrophobicContact CG2-CD1 3.61Å; V180-I191 HydrophobicContact CG1-CG2 3.6Å; I191-T193 HydrophobicContact CG2-CG2 4.4Å; I191-I202 CarbonylContact O-C 3.58Å; I191-I202 WeakPolarHBondContact O-CA 3.36Å; I191-Y203 PolarHBondContact N-O 2.63Å; I191-Y203 PolarHBondContact O-N 2.96Å; I191-L205 HydrophobicContact CD1-CD1 3.49Å; I191-L205 VanDerWaalsContact CD1-CD1 3.49Å; I191-L205 HydrophobicContact CG1-CD1 3.65Å
192L91.8Very high87.2Confident1 Ų124.9 Ų24.91%0.00511%0.114CC..EExtended strand (participates in β ladder)trans-89.7133.4168.317973.6000109.3S181 F200 D201 I202 A252 V263 L277S181-L192 PolarHBondContact N-O 3.16Å; S181-L192 WeakPolarHBondContact O-CA 3.46Å; S181-L192 WeakPolarHBondContact O-CB 3.34Å; S181-L192 PolarHBondContact O-N 2.9Å; S181-L192 VanDerWaalsContact O-O 3.05Å; L192-F200 HydrophobicContact CD1-CB 4.09Å; L192-F200 HydrophobicContact CD1-CD1 4.33Å; L192-D201 CarbonylContact C-O 3.56Å; L192-I202 HydrophobicContact CD1-CG1 3.74Å; L192-A252 HydrophobicContact CD2-CB 4.12Å; L192-V263 HydrophobicContact CD1-CG2 4.39Å; L192-V263 HydrophobicContact CD2-CB 4.21Å; L192-V263 HydrophobicContact CD2-CG1 3.64Å; L192-V263 HydrophobicContact CD2-CG2 3.46Å; L192-V263 VanDerWaalsContact CD2-CG2 3.46Å; L192-L277 HydrophobicContact CD1-CD1 3.95Å
193T94.6Very high87.3Confident4 Ų425.5 Ų25.53%0.02512%0.116CC..EExtended strand (participates in β ladder)trans-119.8138.9169.859.50000109.3L146 I177 V180 I191 F200 D201 Y203L146-T193 HydrophobicContact CB-CG2 4.29Å; L146-T193 HydrophobicContact CD1-CG2 3.76Å; L146-T193 HydrophobicContact CD2-CG2 3.96Å; L146-T193 HydrophobicContact CG-CG2 4.23Å; I177-T193 HydrophobicContact CD1-CG2 4.39Å; V180-T193 HydrophobicContact CG2-CG2 4.35Å; I191-T193 HydrophobicContact CG2-CG2 4.4Å; T193-F200 VanDerWaalsContact O-CA 3.29Å; T193-F200 WeakPolarHBondContact O-CA 2.89Å; T193-D201 PolarHBondContact N-O 2.84Å; T193-D201 PolarHBondContact O-N 3.23Å; T193-D201 VanDerWaalsContact OG1-CB 3.28Å; T193-D201 WeakPolarHBondContact OG1-CB 3.37Å; T193-D201 PolarHBondContact OG1-O 3.49Å; T193-D201 VanDerWaalsContact OG1-O 3.11Å; T193-Y203 HydrophobicContact CG2-CD2 4.12Å; T193-Y203 HydrophobicContact CG2-CE2 3.96Å
194A94.6Very high87.4Confident1 Ų125.5 Ų25.51%0.00812%0.116CC..EExtended strand (participates in β ladder)trans-109.1143.7171.100000109.4I177 S178 D179 F200 I247 A250I177-A194 CarbonylContact C-O 3.55Å; I177-A194 WeakPolarHBondContact CA-O 3.24Å; S178-A194 PolarHBondContact N-O 3.18Å; S178-A194 PolarHBondContact OG-O 3.28Å; S178-A194 VanDerWaalsContact OG-O 3.05Å; D179-A194 HydrophobicContact CB-CB 4.38Å; D179-A194 PolarHBondContact N-O 3.22Å; D179-A194 PolarHBondContact O-N 3.01Å; A194-F200 HydrophobicContact CB-CD1 4.09Å; A194-F200 HydrophobicContact CB-CE1 3.97Å; A194-I247 HydrophobicContact CB-CB 4.25Å; A194-I247 HydrophobicContact CB-CD1 4.42Å; A194-I247 HydrophobicContact CB-CG2 3.66Å; A194-A250 HydrophobicContact CB-CB 3.64Å
195S94Very high87.9Confident15 Ų1526.9 Ų26.911%0.10512%0.123CC..EExtended strand (participates in β ladder)trans-118.1152-179.266.50000113.4W176 Y197 G198 E199 I247W176-S195 CarbonylContact O-C 3.58Å; W176-S195 WeakPolarHBondContact O-CA 3.23Å; W176-S195 WeakPolarHBondContact O-CB 3.26Å; S195-Y197 PolarHBondContact O-N 2.93Å; S195-Y197 VanDerWaalsContact O-N 3.09Å; S195-G198 PolarHBondContact O-N 3.45Å; S195-E199 PolarHBondContact N-O 3.09Å; S195-E199 WeakPolarHBondContact OG-CA 3.22Å; S195-E199 VanDerWaalsContact OG-CB 3.32Å; S195-E199 WeakPolarHBondContact OG-CB 3.08Å; S195-E199 PolarHBondContact OG-N 2.72Å; S195-E199 PolarHBondContact OG-O 3.36Å; S195-I247 WeakPolarHBondContact O-CB 3.11Å; S195-I247 PolarHBondContact O-N 3.06Å
196R92.9Very high88.4Confident86 Ų8626 Ų2633%0.32512%0.117SC..THydrogen-bonded Turntrans-63-11169.2-64.4-64.3-171.71685113.1W176 P246 I247W176-R196 HydrophobicContact CB-CB 4.13Å; W176-R196 HydrophobicContact CB-CG 4.4Å; W176-R196 HydrophobicContact CD2-CB 3.94Å; W176-R196 HydrophobicContact CD2-CG 3.82Å; W176-R196 HydrophobicContact CE3-CB 4.32Å; W176-R196 HydrophobicContact CG-CB 3.83Å; W176-R196 HydrophobicContact CG-CG 3.67Å; W176-R196 PolarHBondContact O-N 3.31Å; R196-P246 HydrophobicContact CB-CB 4.43Å; R196-P246 WeakPolarHBondContact O-CA 3.5Å; R196-P246 WeakPolarHBondContact O-CB 3.4Å; R196-I247 WeakPolarHBondContact CD-O 3.27Å
197Y90.6Very high88.6Confident87 Ų8727.3 Ų27.334%0.34113%0.126SC..THydrogen-bonded Turntrans-91.46.2175-60.4-63.2000113.9P174 W176 S195 R219P174-Y197 HydrophobicContact CB-CE2 3.88Å; P174-Y197 HydrophobicContact CG-CE2 4.12Å; W176-Y197 HydrophobicContact CB-CD2 4.13Å; W176-Y197 HydrophobicContact CB-CE2 3.58Å; S195-Y197 PolarHBondContact O-N 2.93Å; S195-Y197 VanDerWaalsContact O-N 3.09Å; Y197-R219 PolarHBondContact O-NH2 2.66Å
198G89.6Confident88.9Confident0 Ų024.5 Ų24.50%012%0.123CC..SBendtrans78.828.9178.200000113.4S195 A217 W218 R245S195-G198 PolarHBondContact O-N 3.45Å; G198-A217 CarbonylContact O-C 3.47Å; G198-A217 WeakPolarHBondContact O-CA 3.35Å; G198-W218 PolarHBondContact O-N 3.34Å; G198-R245 WeakPolarHBondContact CA-O 2.96Å
199E89.7Confident89.2Confident30 Ų3028.4 Ų28.414%0.1414%0.141CC..EExtended strand (participates in β ladder)trans-116.7142.4179.6-46.5-162.6149.100111.7S195 R215 H216 A217 R219S195-E199 PolarHBondContact N-O 3.09Å; S195-E199 WeakPolarHBondContact OG-CA 3.22Å; S195-E199 VanDerWaalsContact OG-CB 3.32Å; S195-E199 WeakPolarHBondContact OG-CB 3.08Å; S195-E199 PolarHBondContact OG-N 2.72Å; S195-E199 PolarHBondContact OG-O 3.36Å; E199-R215 IonicContact OE2-CZ 3.77Å; E199-R215 IonicContact OE2-NE 3.59Å; E199-R215 IonicContact OE2-NH1 3.46Å; E199-R215 PolarHBondContact OE2-NH1 3.01Å; E199-R215 VanDerWaalsContact OE2-NH1 3.15Å; E199-H216 CarbonylContact C-O 3.58Å; E199-H216 WeakPolarHBondContact CA-O 3.43Å; E199-A217 HydrophobicContact CG-CB 4.46Å; E199-R219 IonicContact OE1-CZ 3.44Å; E199-R219 IonicContact OE1-NH1 3.28Å; E199-R219 IonicContact OE1-NH2 2.76Å; E199-R219 PolarHBondContact OE1-NH2 3.37Å
200F91.4Very high89.6Confident0 Ų029.1 Ų29.10%014%0.142CC..EExtended strand (participates in β ladder)trans-110.5123.8169.1-61.5-75.1000109.3L192 T193 A194 R215 H216 W218 I247 A250 V263 A265 L275L192-F200 HydrophobicContact CD1-CB 4.09Å; L192-F200 HydrophobicContact CD1-CD1 4.33Å; T193-F200 VanDerWaalsContact O-CA 3.29Å; T193-F200 WeakPolarHBondContact O-CA 2.89Å; A194-F200 HydrophobicContact CB-CD1 4.09Å; A194-F200 HydrophobicContact CB-CE1 3.97Å; F200-R215 WeakPolarHBondContact O-CA 3.33Å; F200-H216 HydrophobicContact CB-CB 4.32Å; F200-H216 PolarHBondContact N-O 3.34Å; F200-H216 PolarHBondContact O-N 3.49Å; F200-W218 HydrophobicContact CD2-CB 4.4Å; F200-W218 HydrophobicContact CE2-CB 3.72Å; F200-W218 HydrophobicContact CE2-CE3 4.15Å; F200-W218 HydrophobicContact CE2-CG 4.38Å; F200-W218 HydrophobicContact CZ-CE3 4.03Å; F200-I247 HydrophobicContact CD1-CD1 4.22Å; F200-I247 HydrophobicContact CD2-CD1 4.25Å; F200-I247 HydrophobicContact CE1-CD1 3.68Å; F200-I247 HydrophobicContact CE1-CG2 4.27Å; F200-I247 HydrophobicContact CE2-CD1 3.69Å; F200-I247 HydrophobicContact CG-CD1 4.48Å; F200-I247 HydrophobicContact CZ-CD1 3.37Å; F200-I247 HydrophobicContact CZ-CG1 4.1Å; F200-I247 HydrophobicContact CZ-CG2 4.39Å; F200-A250 HydrophobicContact CD1-CB 4.45Å; F200-A250 HydrophobicContact CE1-CB 3.75Å; F200-V263 HydrophobicContact CE1-CG1 4.21Å; F200-A265 HydrophobicContact CE1-CB 3.86Å; F200-A265 HydrophobicContact CZ-CB 3.42Å; F200-A265 VanDerWaalsContact CZ-CB 3.42Å; F200-L275 HydrophobicContact CD2-CD1 3.93Å; F200-L275 HydrophobicContact CE1-CD1 4.42Å; F200-L275 HydrophobicContact CE2-CD1 3.13Å; F200-L275 HydrophobicContact CZ-CD1 3.44Å; F200-L275 VanDerWaalsContact CZ-CD1 3.44Å
201D91.9Very high89.9Confident16 Ų1632.9 Ų32.99%0.08616%0.156CC..EExtended strand (participates in β ladder)trans-119.7129.1178.6-84.8-19.5000109.3L192 T193 Y203 P212 R215L192-D201 CarbonylContact C-O 3.56Å; T193-D201 PolarHBondContact N-O 2.84Å; T193-D201 PolarHBondContact O-N 3.23Å; T193-D201 VanDerWaalsContact OG1-CB 3.28Å; T193-D201 WeakPolarHBondContact OG1-CB 3.37Å; T193-D201 PolarHBondContact OG1-O 3.49Å; T193-D201 VanDerWaalsContact OG1-O 3.11Å; D201-Y203 HydrophobicContact CB-CE2 3.79Å; D201-P212 HydrophobicContact CB-CB 3.84Å; D201-P212 HydrophobicContact CB-CG 4.33Å; D201-R215 VanDerWaalsContact OD1-CB 3.27Å; D201-R215 WeakPolarHBondContact OD1-CB 3.39Å; D201-R215 WeakPolarHBondContact OD1-CG 3.5Å; D201-R215 IonicContact OD1-CZ 2.65Å; D201-R215 IonicContact OD1-NE 3.73Å; D201-R215 PolarHBondContact OD1-NE 2.88Å; D201-R215 IonicContact OD1-NH2 3.15Å; D201-R215 IonicContact OD2-CZ 3.49Å; D201-R215 IonicContact OD2-NE 3.42Å; D201-R215 IonicContact OD2-NH2 3.53Å; D201-R215 PolarHBondContact OD2-NH2 2.9Å
202I90Very high89.9Confident3 Ų333.8 Ų33.82%0.01516%0.162CC..EExtended strand (participates in β ladder)trans-106.6125.4176.9-63.5147.4000109.1I191 L192 P212 V213 A214 L261 L277 L279I191-I202 CarbonylContact O-C 3.58Å; I191-I202 WeakPolarHBondContact O-CA 3.36Å; L192-I202 HydrophobicContact CD1-CG1 3.74Å; I202-P212 CarbonylContact O-C 3.45Å; I202-P212 VanDerWaalsContact O-CA 3.3Å; I202-P212 WeakPolarHBondContact O-CA 3.47Å; I202-V213 PolarHBondContact O-N 2.93Å; I202-A214 HydrophobicContact CB-CB 4.3Å; I202-A214 HydrophobicContact CD1-CB 3.96Å; I202-A214 PolarHBondContact N-O 2.84Å; I202-L261 HydrophobicContact CD1-CD2 4.07Å; I202-L261 HydrophobicContact CG1-CD2 4.33Å; I202-L277 HydrophobicContact CD1-CB 4.42Å; I202-L277 HydrophobicContact CD1-CD1 3.66Å; I202-L277 HydrophobicContact CG1-CD1 4.37Å; I202-L279 HydrophobicContact CD1-CD1 3.59Å; I202-L279 HydrophobicContact CD1-CG 4.21Å; I202-L279 HydrophobicContact CG1-CD1 4.41Å; I202-L279 HydrophobicContact CG2-CD1 3.99Å
203Y90.5Very high89.5Confident13 Ų1334.8 Ų34.85%0.05117%0.168CC..EExtended strand (participates in β ladder)trans-108.4136.8176.1-64.9-91.4000110L146 F159 A161 L190 I191 T193 D201 P212L146-Y203 HydrophobicContact CB-CE2 4.38Å; L146-Y203 HydrophobicContact CD2-CD1 4.42Å; L146-Y203 HydrophobicContact CD2-CD2 3.46Å; L146-Y203 VanDerWaalsContact CD2-CD2 3.46Å; L146-Y203 HydrophobicContact CD2-CE2 3.98Å; L146-Y203 HydrophobicContact CD2-CG 3.71Å; F159-Y203 AromaticContact CE1-CD1 3.98Å; F159-Y203 HydrophobicContact CE1-CD1 3.98Å; F159-Y203 AromaticContact CZ-CD1 3.84Å; F159-Y203 HydrophobicContact CZ-CD1 3.84Å; A161-Y203 HydrophobicContact CB-CD1 4.36Å; A161-Y203 HydrophobicContact CB-CE1 3.58Å; L190-Y203 WeakPolarHBondContact CA-O 3.39Å; I191-Y203 PolarHBondContact N-O 2.63Å; I191-Y203 PolarHBondContact O-N 2.96Å; T193-Y203 HydrophobicContact CG2-CD2 4.12Å; T193-Y203 HydrophobicContact CG2-CE2 3.96Å; D201-Y203 HydrophobicContact CB-CE2 3.79Å; Y203-P212 HydrophobicContact CD1-CB 4.44Å; Y203-P212 HydrophobicContact CE1-CB 4.08Å; Y203-P212 HydrophobicContact CE1-CG 4.41Å; Y203-P212 HydrophobicContact CE2-CB 4.36Å
204D86.7Confident88.9Confident1 Ų135.5 Ų35.51%0.00517%0.174CC..EExtended strand (participates in β ladder)trans-115.2111.7172.7-171.4-21000109.4L190 R206 C207 V213L190-D204 HydrophobicContact CD2-CB 3.64Å; D204-R206 PolarHBondContact O-N 2.84Å; D204-R206 VanDerWaalsContact OD1-CB 3.25Å; D204-R206 WeakPolarHBondContact OD1-CB 3.2Å; D204-R206 WeakPolarHBondContact OD1-CG 3.01Å; D204-R206 IonicContact OD1-CZ 3.66Å; D204-R206 PolarHBondContact OD1-N 2.57Å; D204-R206 IonicContact OD1-NE 3.92Å; D204-R206 PolarHBondContact OD1-NE 2.99Å; D204-R206 IonicContact OD1-NH2 3.82Å; D204-R206 IonicContact OD2-CZ 3.44Å; D204-R206 IonicContact OD2-NE 3.3Å; D204-R206 PolarHBondContact OD2-NE 3.29Å; D204-R206 IonicContact OD2-NH2 2.69Å; D204-R206 PolarHBondContact OD2-NH2 3.36Å; D204-C207 PolarHBondContact O-SG 3.01Å; D204-V213 HydrophobicContact CB-CG2 3.81Å
205L88.5Confident88.5Confident29 Ų2938.5 Ų38.515%0.15219%0.185CC..SBendtrans-72.6-15.5-177.2-74.887.1000112.9V148 F159 K189 I191V148-L205 HydrophobicContact CB-CD2 4.17Å; V148-L205 HydrophobicContact CG1-CD2 4.06Å; V148-L205 HydrophobicContact CG2-CD2 4.02Å; F159-L205 HydrophobicContact CB-CD2 4.09Å; F159-L205 HydrophobicContact CD2-CG 4.17Å; F159-L205 HydrophobicContact CG-CD2 4.4Å; F159-L205 HydrophobicContact CG-CG 4.4Å; K189-L205 WeakPolarHBondContact O-CD1 3.42Å; K189-L205 PolarHBondContact O-N 3.16Å; I191-L205 HydrophobicContact CD1-CD1 3.49Å; I191-L205 VanDerWaalsContact CD1-CD1 3.49Å; I191-L205 HydrophobicContact CG1-CD1 3.65Å
206R84Confident88Confident71 Ų7139 Ų3927%0.26819%0.186SC..SBendtrans-75.9-35.7-175.8-57.8170.4-66.6-170.20.5112.6K189 D204 G208 Y283K189-R206 HydrophobicContact CB-CG 3.91Å; K189-R206 HydrophobicContact CD-CG 4.37Å; K189-R206 HydrophobicContact CG-CG 4.07Å; D204-R206 PolarHBondContact O-N 2.84Å; D204-R206 VanDerWaalsContact OD1-CB 3.25Å; D204-R206 WeakPolarHBondContact OD1-CB 3.2Å; D204-R206 WeakPolarHBondContact OD1-CG 3.01Å; D204-R206 IonicContact OD1-CZ 3.66Å; D204-R206 PolarHBondContact OD1-N 2.57Å; D204-R206 IonicContact OD1-NE 3.92Å; D204-R206 PolarHBondContact OD1-NE 2.99Å; D204-R206 IonicContact OD1-NH2 3.82Å; D204-R206 IonicContact OD2-CZ 3.44Å; D204-R206 IonicContact OD2-NE 3.3Å; D204-R206 PolarHBondContact OD2-NE 3.29Å; D204-R206 IonicContact OD2-NH2 2.69Å; D204-R206 PolarHBondContact OD2-NH2 3.36Å; R206-G208 VanDerWaalsContact C-N 3.32Å; R206-G208 PolarHBondContact O-N 2.72Å; R206-Y283 PolarHBondContact NH1-O 2.94Å; R206-Y283 VanDerWaalsContact NH1-O 3.15Å; R206-Y283 PolarHBondContact NH2-O 2.88Å
207C81.6Confident87.6Confident28 Ų2834.9 Ų34.919%0.18917%0.17CC..SBendtrans-84.7-3.3-172.367.30000114D204 Q209 V297D204-C207 PolarHBondContact O-SG 3.01Å; C207-Q209 PolarHBondContact O-N 2.95Å; C207-Q209 WeakPolarHBondContact SG-CB 3.43Å; C207-V297 WeakPolarHBondContact CB-O 3.36Å
208G82.5Confident87.4Confident50 Ų5030.8 Ų30.852%0.51515%0.154SC..  trans69.8-5.3-176.600000114.9R206 R210R206-G208 VanDerWaalsContact C-N 3.32Å; R206-G208 PolarHBondContact O-N 2.72Å; G208-R210 PolarHBondContact O-N 2.97Å
209Q87.7Confident87Confident83 Ų8330.9 Ų30.939%0.38815%0.154SC..  trans-64.6117.1176.9-17969.3-9.200110F159 C207 R211F159-Q209 WeakPolarHBondContact CE2-O 3.33Å; C207-Q209 PolarHBondContact O-N 2.95Å; C207-Q209 WeakPolarHBondContact SG-CB 3.43Å; Q209-R211 VanDerWaalsContact C-N 3.31Å; Q209-R211 HydrophobicContact CG-CB 4.48Å; Q209-R211 WeakPolarHBondContact CG-O 3.32Å; Q209-R211 PolarHBondContact O-N 2.93Å
210R92.9Very high86.3Confident91 Ų9130.8 Ų30.834%0.34316%0.156SC..  trans-80.7-9179.6-58.6-59.3-161.2-174.37.6114I158 F159 T160 A161 K162 G208I158-R210 PolarHBondContact O-NH1 2.9Å; I158-R210 PolarHBondContact O-NH2 2.65Å; I158-R210 VanDerWaalsContact O-NH2 3.12Å; F159-R210 VanDerWaalsContact CA-NH1 3.26Å; T160-R210 WeakPolarHBondContact O-CD 3.42Å; A161-R210 CarbonylContact C-O 3.57Å; A161-R210 VanDerWaalsContact CA-O 3.25Å; A161-R210 WeakPolarHBondContact CA-O 3.25Å; K162-R210 HydrophobicContact CB-CB 4.02Å; K162-R210 HydrophobicContact CD-CB 3.98Å; K162-R210 HydrophobicContact CD-CG 4.48Å; K162-R210 HydrophobicContact CG-CB 3.69Å; K162-R210 HydrophobicContact CG-CG 4.41Å; K162-R210 PolarHBondContact N-O 3.08Å; G208-R210 PolarHBondContact O-N 2.97Å
211R91.7Very high85.4Confident82 Ų8231 Ų3131%0.30916%0.157SC..SBendtrans-99158176-73.3-174178.2102.5-3.9109.8K162 N163 Q209 V213K162-R211 HydrophobicContact CB-CG 4.09Å; N163-R211 PolarHBondContact O-NE 3.11Å; Q209-R211 VanDerWaalsContact C-N 3.31Å; Q209-R211 HydrophobicContact CG-CB 4.48Å; Q209-R211 WeakPolarHBondContact CG-O 3.32Å; Q209-R211 PolarHBondContact O-N 2.93Å; R211-V213 PolarHBondContact O-N 3.02Å
212P89.9Confident84.2Confident19 Ų1939 Ų3912%0.12319%0.186CC..  trans-59137175.624.8-34.1000110.8V164 D201 I202 Y203V164-P212 HydrophobicContact CG1-CG 3.67Å; D201-P212 HydrophobicContact CB-CB 3.84Å; D201-P212 HydrophobicContact CB-CG 4.33Å; I202-P212 CarbonylContact O-C 3.45Å; I202-P212 VanDerWaalsContact O-CA 3.3Å; I202-P212 WeakPolarHBondContact O-CA 3.47Å; Y203-P212 HydrophobicContact CD1-CB 4.44Å; Y203-P212 HydrophobicContact CE1-CB 4.08Å; Y203-P212 HydrophobicContact CE1-CG 4.41Å; Y203-P212 HydrophobicContact CE2-CB 4.36Å
213V84.7Confident83.2Confident22 Ų2247 Ų4713%0.13322%0.221CC..SBendtrans-74.6-35.7176.2174.90000110.4I202 D204 R211I202-V213 PolarHBondContact O-N 2.93Å; D204-V213 HydrophobicContact CB-CG2 3.81Å; R211-V213 PolarHBondContact O-N 3.02Å
214A82.3Confident82.1Confident18 Ų1853 Ų5315%0.14925%0.249CC..EExtended strand (participates in β ladder)trans-134.614017500000110.2I202 L279I202-A214 HydrophobicContact CB-CB 4.3Å; I202-A214 HydrophobicContact CD1-CB 3.96Å; I202-A214 PolarHBondContact N-O 2.84Å; A214-L279 HydrophobicContact CB-CD2 4.35Å
215R85.2Confident81.4Confident64 Ų6455.8 Ų55.824%0.24228%0.278CS..EExtended strand (participates in β ladder)trans-129.5126.4176.5174.6170.3-69.9-158.3-7.1109.5E199 F200 D201E199-R215 IonicContact OE2-CZ 3.77Å; E199-R215 IonicContact OE2-NE 3.59Å; E199-R215 IonicContact OE2-NH1 3.46Å; E199-R215 PolarHBondContact OE2-NH1 3.01Å; E199-R215 VanDerWaalsContact OE2-NH1 3.15Å; F200-R215 WeakPolarHBondContact O-CA 3.33Å; D201-R215 VanDerWaalsContact OD1-CB 3.27Å; D201-R215 WeakPolarHBondContact OD1-CB 3.39Å; D201-R215 WeakPolarHBondContact OD1-CG 3.5Å; D201-R215 IonicContact OD1-CZ 2.65Å; D201-R215 IonicContact OD1-NE 3.73Å; D201-R215 PolarHBondContact OD1-NE 2.88Å; D201-R215 IonicContact OD1-NH2 3.15Å; D201-R215 IonicContact OD2-CZ 3.49Å; D201-R215 IonicContact OD2-NE 3.42Å; D201-R215 IonicContact OD2-NH2 3.53Å; D201-R215 PolarHBondContact OD2-NH2 2.9Å
216H84.5Confident80.7Confident26 Ų2661.7 Ų61.712%0.1230%0.303CS..EExtended strand (participates in β ladder)trans-124.3145.9176.4-54.3-95.5000109.1E199 F200 V229 G230 L277E199-H216 CarbonylContact C-O 3.58Å; E199-H216 WeakPolarHBondContact CA-O 3.43Å; F200-H216 HydrophobicContact CB-CB 4.32Å; F200-H216 PolarHBondContact N-O 3.34Å; F200-H216 PolarHBondContact O-N 3.49Å; H216-V229 HydrophobicContact CB-CG1 3.91Å; H216-G230 CarbonylContact C-O 3.51Å; H216-G230 WeakPolarHBondContact CA-O 3.48Å; H216-L277 HydrophobicContact CB-CD2 4.05Å; H216-L277 PolarHBondContact CE1-O 2.97Å; H216-L277 VanDerWaalsContact CE1-O 3.25Å
217A84.2Confident80.3Confident0 Ų060 Ų600%030%0.299CS..EExtended strand (participates in β ladder)trans-123129.6175.400000109.5G198 E199 V229 G230 V237G198-A217 CarbonylContact O-C 3.47Å; G198-A217 WeakPolarHBondContact O-CA 3.35Å; E199-A217 HydrophobicContact CG-CB 4.46Å; A217-V229 WeakPolarHBondContact O-CA 3.38Å; A217-G230 PolarHBondContact N-O 2.98Å; A217-G230 PolarHBondContact O-N 3.34Å; A217-V237 HydrophobicContact CB-CG1 3.39Å
218W86.1Confident79.9Confident1 Ų162.5 Ų62.50%0.00431%0.308CS..EExtended strand (participates in β ladder)trans-100.2105.4178.2179.229.6000109.2G198 F200 V229 I247 A265 N267 E271G198-W218 PolarHBondContact O-N 3.34Å; F200-W218 HydrophobicContact CD2-CB 4.4Å; F200-W218 HydrophobicContact CE2-CB 3.72Å; F200-W218 HydrophobicContact CE2-CE3 4.15Å; F200-W218 HydrophobicContact CE2-CG 4.38Å; F200-W218 HydrophobicContact CZ-CE3 4.03Å; W218-V229 HydrophobicContact CB-CG2 3.81Å; W218-V229 HydrophobicContact CG-CG2 3.98Å; W218-I247 HydrophobicContact CE3-CD1 4.24Å; W218-I247 HydrophobicContact CE3-CG1 3.75Å; W218-I247 HydrophobicContact CZ3-CG1 4.08Å; W218-A265 HydrophobicContact CE3-CB 4.31Å; W218-A265 HydrophobicContact CZ3-CB 3.93Å; W218-N267 HydrophobicContact CH2-CB 3.99Å; W218-N267 HydrophobicContact CZ3-CB 3.91Å; W218-E271 HydrophobicContact CH2-CB 4.32Å; W218-E271 HydrophobicContact CZ2-CB 4.08Å
219R80.5Confident79.5Confident2 Ų260.4 Ų60.41%0.00829%0.285CS..EExtended strand (participates in β ladder)trans-142.7158.2-173.8-60.9-174.5174.7112.512110.6Y197 E199 H228 V237Y197-R219 PolarHBondContact O-NH2 2.66Å; E199-R219 IonicContact OE1-CZ 3.44Å; E199-R219 IonicContact OE1-NH1 3.28Å; E199-R219 IonicContact OE1-NH2 2.76Å; E199-R219 PolarHBondContact OE1-NH2 3.37Å; R219-H228 PolarHBondContact N-O 3.15Å; R219-H228 PolarHBondContact O-N 2.73Å; R219-V237 HydrophobicContact CB-CG1 4.07Å; R219-V237 VanDerWaalsContact CD-O 3.26Å; R219-V237 WeakPolarHBondContact CD-O 3.27Å; R219-V237 HydrophobicContact CG-CG1 3.97Å; R219-V237 PolarHBondContact NH1-O 3.3Å
220T75.4Confident78.8Confident27 Ų2756.9 Ų56.917%0.16627%0.271CS..EExtended strand (participates in β ladder)trans-80.6126.1169.6-45.90000109.7R222T220-R222 PolarHBondContact O-N 2.76Å
221S72.7Confident77.6Confident5 Ų555.7 Ų55.74%0.03528%0.276CS..  trans-69.4123.5174.8174.90000110.5K223 H224 G225 K226S221-K223 PolarHBondContact O-N 2.78Å; S221-K223 PolarHBondContact OG-N 2.91Å; S221-H224 PolarHBondContact O-N 3.25Å; S221-G225 WeakPolarHBondContact O-CA 3.37Å; S221-G225 PolarHBondContact O-N 3.09Å; S221-K226 PolarHBondContact N-O 2.92Å
222R67.6Low76.2Confident183 Ų18352.7 Ų52.769%0.69127%0.271SS*.THydrogen-bonded Turntrans-59.8-33.8174.3-69.1-173.1177.3-177.20.9113.2T220 D240 T243T220-R222 PolarHBondContact O-N 2.76Å; R222-D240 IonicContact CZ-OD2 3.75Å; R222-D240 VanDerWaalsContact NH2-CG 3.34Å; R222-D240 IonicContact NH2-OD2 2.92Å; R222-D240 PolarHBondContact NH2-OD2 3.39Å; R222-T243 HydrophobicContact CG-CG2 4.05Å
223K68.1Low74.9Confident172 Ų17261 Ų6175%0.74831%0.305SS*.THydrogen-bonded Turntrans-72.9-37.1-176.3-70.4-171.8176.9-175.50112.8S221S221-K223 PolarHBondContact O-N 2.78Å; S221-K223 PolarHBondContact OG-N 2.91Å
224H68.3Low73.7Confident138 Ų13864.7 Ų64.764%0.63932%0.321SS*.THydrogen-bonded Turntrans-112.2-13-171.8-56.4123.4000113.6S221 K226S221-H224 PolarHBondContact O-N 3.25Å; H224-K226 HydrophobicContact CB-CB 4.16Å; H224-K226 HydrophobicContact CB-CD 4.34Å; H224-K226 HydrophobicContact CB-CG 4.11Å; H224-K226 PolarHBondContact O-N 3.11Å; H224-K226 VanDerWaalsContact O-N 3.09Å
225G72Confident72.4Confident60 Ų6067.8 Ų67.862%0.61934%0.341SS*.SBendtrans64.16.7-169.200000113.8S221S221-G225 WeakPolarHBondContact O-CA 3.37Å; S221-G225 PolarHBondContact O-N 3.09Å
226K72.8Confident71Confident153 Ų15365.8 Ų65.867%0.66534%0.339SS*.  trans-95144.8-177-65.7-178.6-177.4-177.70110.7S221 H224S221-K226 PolarHBondContact N-O 2.92Å; H224-K226 HydrophobicContact CB-CB 4.16Å; H224-K226 HydrophobicContact CB-CD 4.34Å; H224-K226 HydrophobicContact CB-CG 4.11Å; H224-K226 PolarHBondContact O-N 3.11Å; H224-K226 VanDerWaalsContact O-N 3.09Å
227L75.1Confident69.7Low37 Ų3764.6 Ų64.619%0.19433%0.333CS..EExtended strand (participates in β ladder)trans-63.5134.8170.1-72.4167.5000109.9E271 V311 C313L227-E271 WeakPolarHBondContact CD2-OE2 3.11Å; L227-V311 HydrophobicContact CB-CG1 4.05Å; L227-C313 WeakPolarHBondContact CD1-SG 3.34Å
228H72.7Confident68.5Low80 Ų8069.5 Ų69.537%0.3736%0.359SS..EExtended strand (participates in β ladder)trans-138.2139.9-177.3-169.6-86.6000109.9R219R219-H228 PolarHBondContact N-O 3.15Å; R219-H228 PolarHBondContact O-N 2.73Å
229V74.9Confident67.4Low6 Ų673.6 Ų73.64%0.03639%0.386CS..EExtended strand (participates in β ladder)trans-114.5119.9168.2168.40000107.4H216 A217 W218 L275 L277 V311H216-V229 HydrophobicContact CB-CG1 3.91Å; A217-V229 WeakPolarHBondContact O-CA 3.38Å; W218-V229 HydrophobicContact CB-CG2 3.81Å; W218-V229 HydrophobicContact CG-CG2 3.98Å; V229-L275 HydrophobicContact CG2-CD1 4.06Å; V229-L275 HydrophobicContact CG2-CD2 3.76Å; V229-L275 HydrophobicContact CG2-CG 4.38Å; V229-L277 HydrophobicContact CG1-CD2 4.19Å; V229-V311 HydrophobicContact CB-CG2 3.69Å; V229-V311 HydrophobicContact CG2-CG2 3.46Å; V229-V311 VanDerWaalsContact CG2-CG2 3.46Å; V229-V311 VanDerWaalsContact N-CG2 3.29Å
230G72.3Confident66.8Low9 Ų976 Ų769%0.09340%0.399CS..EExtended strand (participates in β ladder)trans-142.8171.5179.700000111.6H216 A217 G232H216-G230 CarbonylContact C-O 3.51Å; H216-G230 WeakPolarHBondContact CA-O 3.48Å; A217-G230 PolarHBondContact N-O 2.98Å; A217-G230 PolarHBondContact O-N 3.34Å; G230-G232 PolarHBondContact O-N 3.17Å
231S69Low66.2Low65 Ų6582.3 Ų82.346%0.45543%0.43SS..  trans-57.4129.1165.1-177.20000107.9K233 H234S231-K233 PolarHBondContact O-N 3.06Å; S231-H234 WeakPolarHBondContact O-CB 3.14Å; S231-H234 PolarHBondContact O-N 2.86Å
232G61.9Low65.9Low20 Ų2086.4 Ų86.421%0.20646%0.455CS..THydrogen-bonded Turntrans-57.1-4.3-177.600000115.4G230G230-G232 PolarHBondContact O-N 3.17Å
233K62.4Low66Low194 Ų19478.1 Ų78.184%0.84343%0.425SS*.THydrogen-bonded Turntrans-81.7-18171.6-61.4-177179.1-178.80114.2S231 S235S231-K233 PolarHBondContact O-N 3.06Å; K233-S235 PolarHBondContact O-N 3.14Å
234H60Low66.5Low98 Ų9871.3 Ų71.345%0.45440%0.398SS..SBendtrans-69.8132.1-176.6-172-86.9000110.3S231 A236 V237S231-H234 WeakPolarHBondContact O-CB 3.14Å; S231-H234 PolarHBondContact O-N 2.86Å; H234-A236 VanDerWaalsContact CE1-CB 3.49Å; H234-A236 WeakPolarHBondContact CE1-CB 3.29Å; H234-A236 VanDerWaalsContact ND1-CB 3.33Å; H234-A236 WeakPolarHBondContact ND1-CB 3.47Å; H234-A236 PolarHBondContact ND1-N 3.3Å; H234-A236 VanDerWaalsContact ND1-N 3.17Å; H234-A236 PolarHBondContact O-N 2.69Å; H234-A236 VanDerWaalsContact O-N 3.15Å; H234-V237 HydrophobicContact CB-CB 4.44Å; H234-V237 HydrophobicContact CB-CG2 4.04Å; H234-V237 CarbonylContact O-C 3.49Å; H234-V237 WeakPolarHBondContact O-CA 3.46Å; H234-V237 WeakPolarHBondContact O-CB 3.36Å; H234-V237 PolarHBondContact O-N 3.32Å
235S54.4Low67.1Low83 Ų8367.2 Ų67.258%0.5838%0.377SS*.G310 helixtrans-60.1-29-174.158.60000114.1K233 V237 L238K233-S235 PolarHBondContact O-N 3.14Å; S235-V237 PolarHBondContact O-N 2.77Å; S235-L238 WeakPolarHBondContact O-CG 3.36Å
236A55.8Low68.1Low23 Ų2366.6 Ų66.619%0.1936%0.362CS..G310 helixtrans-72.2-8.6173.200000114.1H234H234-A236 VanDerWaalsContact CE1-CB 3.49Å; H234-A236 WeakPolarHBondContact CE1-CB 3.29Å; H234-A236 VanDerWaalsContact ND1-CB 3.33Å; H234-A236 WeakPolarHBondContact ND1-CB 3.47Å; H234-A236 PolarHBondContact ND1-N 3.3Å; H234-A236 VanDerWaalsContact ND1-N 3.17Å; H234-A236 PolarHBondContact O-N 2.69Å; H234-A236 VanDerWaalsContact O-N 3.15Å
237V57.2Low69.1Low1 Ų159.3 Ų59.31%0.00633%0.33CS..G310 helixtrans-120.124.1-174.6-163.80000109.7A217 R219 H234 S235A217-V237 HydrophobicContact CB-CG1 3.39Å; R219-V237 HydrophobicContact CB-CG1 4.07Å; R219-V237 VanDerWaalsContact CD-O 3.26Å; R219-V237 WeakPolarHBondContact CD-O 3.27Å; R219-V237 HydrophobicContact CG-CG1 3.97Å; R219-V237 PolarHBondContact NH1-O 3.3Å; H234-V237 HydrophobicContact CB-CB 4.44Å; H234-V237 HydrophobicContact CB-CG2 4.04Å; H234-V237 CarbonylContact O-C 3.49Å; H234-V237 WeakPolarHBondContact O-CA 3.46Å; H234-V237 WeakPolarHBondContact O-CB 3.36Å; H234-V237 PolarHBondContact O-N 3.32Å; S235-V237 PolarHBondContact O-N 2.77Å
238L60.1Low70Confident103 Ų10357.8 Ų57.854%0.53932%0.322SS..  trans-63.9138.5175.2-72.8170.8000110.7S235 D240 T243S235-L238 WeakPolarHBondContact O-CG 3.36Å; L238-D240 PolarHBondContact O-N 3.42Å; L238-T243 PolarHBondContact O-OG1 3.48Å
239P63.1Low71.1Confident87 Ų8756.1 Ų56.157%0.56531%0.314SS*.  trans-66.8116.5174.327.6-31.6000109.3T244P239-T244 HydrophobicContact CB-CG2 4.47Å
240D67.3Low72Confident52 Ų5255.9 Ų55.928%0.27831%0.313SS..  trans-140.8149.7166.6175.131.1000107.9R222 L238 T242 T243 T244R222-D240 IonicContact CZ-OD2 3.75Å; R222-D240 VanDerWaalsContact NH2-CG 3.34Å; R222-D240 IonicContact NH2-OD2 2.92Å; R222-D240 PolarHBondContact NH2-OD2 3.39Å; L238-D240 PolarHBondContact O-N 3.42Å; D240-T242 PolarHBondContact O-N 3.23Å; D240-T242 PolarHBondContact OD2-OG1 2.72Å; D240-T243 PolarHBondContact N-OG1 2.8Å; D240-T243 PolarHBondContact O-N 2.78Å; D240-T243 PolarHBondContact O-OG1 3.15Å; D240-T243 VanDerWaalsContact O-OG1 3.09Å; D240-T244 WeakPolarHBondContact O-CG2 3.31Å; D240-T244 PolarHBondContact O-N 3.49Å; D240-T244 PolarHBondContact O-OG1 2.82Å; D240-T244 VanDerWaalsContact O-OG1 3.12Å
241L62.6Low72.8Confident159 Ų15956.1 Ų56.183%0.83231%0.313SS*.THydrogen-bonded Turntrans-56-29.6-178.4-64.8174.7000112.2
242T66.2Low73.7Confident91 Ų9153 Ų5356%0.55829%0.291SS*.THydrogen-bonded Turntrans-74.9-27.5178.567.30000113.7D240 R245D240-T242 PolarHBondContact O-N 3.23Å; D240-T242 PolarHBondContact OD2-OG1 2.72Å; T242-R245 PolarHBondContact O-NH1 3.05Å
243T69.7Low74.8Confident9 Ų952.2 Ų52.26%0.05528%0.282CS..THydrogen-bonded Turntrans-104.8-23.2-173.562.10000112.9R222 L238 D240R222-T243 HydrophobicContact CG-CG2 4.05Å; L238-T243 PolarHBondContact O-OG1 3.48Å; D240-T243 PolarHBondContact N-OG1 2.8Å; D240-T243 PolarHBondContact O-N 2.78Å; D240-T243 PolarHBondContact O-OG1 3.15Å; D240-T243 VanDerWaalsContact O-OG1 3.09Å
244T78.8Confident75.2Confident29 Ų2944.6 Ų44.618%0.17825%0.25CS..BIsolated β-bridgetrans-71.8131.4178.251.50000110.6P239 D240P239-T244 HydrophobicContact CB-CG2 4.47Å; D240-T244 WeakPolarHBondContact O-CG2 3.31Å; D240-T244 PolarHBondContact O-N 3.49Å; D240-T244 PolarHBondContact O-OG1 2.82Å; D240-T244 VanDerWaalsContact O-OG1 3.12Å
245R81.9Confident75.4Confident52 Ų5243.7 Ų43.720%0.19625%0.249CC..  trans-117.9116.5172.2-62.7-68.2-179.6-89.6-0.5108G198 T242 I247 N267 E271G198-R245 WeakPolarHBondContact CA-O 2.96Å; T242-R245 PolarHBondContact O-NH1 3.05Å; R245-I247 PolarHBondContact O-N 2.84Å; R245-I247 VanDerWaalsContact O-N 3.11Å; R245-N267 HydrophobicContact CB-CB 4.3Å; R245-N267 WeakPolarHBondContact CB-ND2 3.41Å; R245-E271 IonicContact NE-OE1 2.72Å; R245-E271 PolarHBondContact NE-OE1 3.34Å
246P91.5Very high75.5Confident47 Ų4740.7 Ų40.731%0.30523%0.228SC..  trans-64.7114.6179.6-22.733.4000111.1R196 N267 A268R196-P246 HydrophobicContact CB-CB 4.43Å; R196-P246 WeakPolarHBondContact O-CA 3.5Å; R196-P246 WeakPolarHBondContact O-CB 3.4Å; P246-N267 CarbonylContact O-C 3.38Å; P246-N267 VanDerWaalsContact O-CA 3.27Å; P246-N267 WeakPolarHBondContact O-CA 3.03Å; P246-N267 VanDerWaalsContact O-CB 3.26Å; P246-N267 WeakPolarHBondContact O-CB 3.03Å; P246-A268 HydrophobicContact CB-CB 4.22Å; P246-A268 PolarHBondContact O-N 3.05Å
247I94.7Very high75.3Confident0 Ų044.1 Ų44.10%025%0.248CC..EExtended strand (participates in β ladder)trans-67.8136.1174.7-58.5158.6000107.4S178 A194 S195 R196 F200 W218 R245 A250 G266S178-I247 WeakPolarHBondContact CB-O 3.35Å; S178-I247 PolarHBondContact OG-O 3Å; A194-I247 HydrophobicContact CB-CB 4.25Å; A194-I247 HydrophobicContact CB-CD1 4.42Å; A194-I247 HydrophobicContact CB-CG2 3.66Å; S195-I247 WeakPolarHBondContact O-CB 3.11Å; S195-I247 PolarHBondContact O-N 3.06Å; R196-I247 WeakPolarHBondContact CD-O 3.27Å; F200-I247 HydrophobicContact CD1-CD1 4.22Å; F200-I247 HydrophobicContact CD2-CD1 4.25Å; F200-I247 HydrophobicContact CE1-CD1 3.68Å; F200-I247 HydrophobicContact CE1-CG2 4.27Å; F200-I247 HydrophobicContact CE2-CD1 3.69Å; F200-I247 HydrophobicContact CG-CD1 4.48Å; F200-I247 HydrophobicContact CZ-CD1 3.37Å; F200-I247 HydrophobicContact CZ-CG1 4.1Å; F200-I247 HydrophobicContact CZ-CG2 4.39Å; W218-I247 HydrophobicContact CE3-CD1 4.24Å; W218-I247 HydrophobicContact CE3-CG1 3.75Å; W218-I247 HydrophobicContact CZ3-CG1 4.08Å; R245-I247 PolarHBondContact O-N 2.84Å; R245-I247 VanDerWaalsContact O-N 3.11Å; I247-A250 HydrophobicContact CG2-CB 4.38Å; I247-G266 WeakPolarHBondContact CG2-O 3.45Å
248T94.5Very high75.2Confident5 Ų546.9 Ų46.93%0.03128%0.277CS..EExtended strand (participates in β ladder)trans-106.8-36.7-179.752.30000111.4G266 A268 I321T248-G266 PolarHBondContact N-O 3.42Å; T248-G266 PolarHBondContact OG1-O 3.13Å; T248-G266 VanDerWaalsContact OG1-O 3.11Å; T248-A268 HydrophobicContact CG2-CB 3.94Å; T248-I321 WeakPolarHBondContact CB-O 3.33Å; T248-I321 PolarHBondContact OG1-O 2.72Å
249K94.2Very high75Confident45 Ų4548.4 Ų48.420%0.19628%0.283CS..EExtended strand (participates in β ladder)trans-147.9144.5-178-71.2-70.7171.6-88.40110.6D179 A265 G266 T322 Q323 L324D179-K249 WeakPolarHBondContact OD2-CA 2.92Å; D179-K249 WeakPolarHBondContact OD2-CD 3.49Å; K249-A265 WeakPolarHBondContact O-CA 3.1Å; K249-G266 PolarHBondContact N-O 3.45Å; K249-G266 PolarHBondContact O-N 3.43Å; K249-T322 VanDerWaalsContact CE-O 3.27Å; K249-T322 WeakPolarHBondContact CE-O 3.43Å; K249-T322 WeakPolarHBondContact CG-O 3.45Å; K249-Q323 VanDerWaalsContact CD-OE1 3.3Å; K249-L324 HydrophobicContact CB-CD2 3.41Å; K249-L324 VanDerWaalsContact CB-CD2 3.41Å; K249-L324 HydrophobicContact CB-CG 3.79Å; K249-L324 WeakPolarHBondContact O-CD2 3.44Å
250A93.5Very high75.2Confident1 Ų145 Ų451%0.00826%0.263CS..EExtended strand (participates in β ladder)trans-151.8129.2176.400000111.2D179 S181 A194 F200 I247 V263 V264 A265D179-A250 PolarHBondContact OD2-N 2.94Å; S181-A250 WeakPolarHBondContact CB-O 3.4Å; A194-A250 HydrophobicContact CB-CB 3.64Å; F200-A250 HydrophobicContact CD1-CB 4.45Å; F200-A250 HydrophobicContact CE1-CB 3.75Å; I247-A250 HydrophobicContact CG2-CB 4.38Å; A250-V263 HydrophobicContact CB-CG1 4.11Å; A250-V264 CarbonylContact C-O 3.51Å; A250-V264 VanDerWaalsContact CA-O 3.32Å; A250-V264 WeakPolarHBondContact CA-O 3.34Å; A250-A265 HydrophobicContact CB-CB 4.23Å
251V91.1Very high75.6Confident15 Ų1542.7 Ų42.79%0.09125%0.251CS..EExtended strand (participates in β ladder)trans-126124.7179.8174.10000109.7V263 V264 L324 C326 A329 N333V251-V263 WeakPolarHBondContact O-CA 3.15Å; V251-V264 PolarHBondContact N-O 3.14Å; V251-V264 PolarHBondContact O-N 2.83Å; V251-L324 HydrophobicContact CB-CD1 3.62Å; V251-L324 HydrophobicContact CG2-CD1 3.35Å; V251-L324 HydrophobicContact CG2-CG 4.31Å; V251-C326 HydrophobicContact CG1-CB 4.3Å; V251-A329 HydrophobicContact CG1-CB 3.44Å; V251-A329 VanDerWaalsContact CG1-CB 3.44Å; V251-N333 HydrophobicContact CG1-CB 4.41Å
252A87.4Confident76.6Confident0 Ų037.2 Ų37.20%022%0.219CC..EExtended strand (participates in β ladder)trans-79.4139.1171.100000111S181 V183 P184 L192 L261 R262 A329 N333S181-A252 PolarHBondContact OG-N 2.97Å; V183-A252 HydrophobicContact CG2-CB 4.3Å; P184-A252 WeakPolarHBondContact CG-O 3.27Å; L192-A252 HydrophobicContact CD2-CB 4.12Å; A252-L261 HydrophobicContact CB-CD1 4.09Å; A252-R262 WeakPolarHBondContact CA-O 3.4Å; A252-A329 WeakPolarHBondContact O-CB 3.25Å; A252-N333 PolarHBondContact O-ND2 3.05Å
253Y83.6Confident77.7Confident3 Ų332.9 Ų32.91%0.01219%0.192CC..EExtended strand (participates in β ladder)trans-143.4153.6176.972.7-79.2000110.6R262 V264 V274 G328 R362Y253-R262 HydrophobicContact CD1-CB 3.98Å; Y253-R262 HydrophobicContact CD2-CB 4.47Å; Y253-R262 HydrophobicContact CE1-CB 3.37Å; Y253-R262 HydrophobicContact CE2-CB 3.99Å; Y253-R262 HydrophobicContact CG-CB 4.48Å; Y253-R262 PolarHBondContact N-O 2.66Å; Y253-R262 PolarHBondContact O-N 3.14Å; Y253-R262 VanDerWaalsContact OH-CD 3.22Å; Y253-R262 WeakPolarHBondContact OH-CD 3.35Å; Y253-V264 HydrophobicContact CD1-CG2 3.93Å; Y253-V264 HydrophobicContact CE1-CG2 3.55Å; Y253-V274 HydrophobicContact CE1-CG1 4.46Å; Y253-V274 WeakPolarHBondContact OH-CG1 3.46Å; Y253-G328 WeakPolarHBondContact CB-O 3.46Å; Y253-R362 HydrophobicContact CE2-CG 3.93Å
254D71.7Confident78.8Confident33 Ų3332.5 Ų32.518%0.17619%0.19CC..  trans-122-25.7-171.472.9-25.5000114.4P184 K185 S256 G328P184-D254 HydrophobicContact CB-CB 4.09Å; K185-D254 WeakPolarHBondContact CD-OD2 3.35Å; K185-D254 WeakPolarHBondContact CE-OD2 3.3Å; K185-D254 VanDerWaalsContact CG-OD2 3.31Å; K185-D254 WeakPolarHBondContact CG-OD2 3.44Å; K185-D254 IonicContact NZ-OD1 3.51Å; K185-D254 IonicContact NZ-OD2 2.68Å; K185-D254 PolarHBondContact NZ-OD2 3.49Å; D254-S256 PolarHBondContact O-N 2.54Å; D254-G328 PolarHBondContact N-O 2.81Å
255N63.1Low79.5Confident80 Ų8031.1 Ų31.143%0.42818%0.181SC..  trans-76.259.5-177.1-71.2-26.6000113.1K185 R362K185-N255 PolarHBondContact NZ-OD1 3.43Å; N255-R362 PolarHBondContact O-NH1 2.89Å; N255-R362 PolarHBondContact O-NH2 3.35Å
256S56.9Low80.1Confident19 Ų1928.6 Ų28.613%0.13317%0.172CC..SBendtrans-128.9149.9179.572.50000112D254 G258 R262D254-S256 PolarHBondContact O-N 2.54Å; S256-G258 PolarHBondContact O-N 2.88Å; S256-R262 WeakPolarHBondContact OG-CD 3.35Å; S256-R262 PolarHBondContact OG-NE 3.05Å
257P52.7Low80.1Confident95 Ų9526.4 Ų26.462%0.61716%0.157SC*.SBendtrans-64.1119.8174.823.5-30.8000110.6R262P257-R262 PolarHBondContact O-NH2 3.43Å
258G54.9Low80Confident59 Ų5928.1 Ų28.161%0.60817%0.172SC*.SBendtrans132.1179.2174.800000115.1S256S256-G258 PolarHBondContact O-N 2.88Å
259M56.4Low79.8Confident136 Ų13631.8 Ų31.867%0.6719%0.194SC*.SBendtrans-10488.9-179.7-62.5-71.7-77.600109.2P281M259-P281 HydrophobicContact CE-CG 3.61Å; M259-P281 HydrophobicContact SD-CG 3.72Å
260G65.6Low79.5Confident14 Ų1429.8 Ų29.814%0.14419%0.186CC..SBendtrans174.9140.9-177.400000116R262 L279G260-R262 PolarHBondContact O-N 2.72Å; G260-L279 VanDerWaalsContact CA-O 3.23Å; G260-L279 WeakPolarHBondContact CA-O 3.07Å
261L77.3Confident79.4Confident5 Ų532 Ų323%0.02620%0.196CC..  trans-64.1119.5160.7178.763.1000109.8V183 I202 A252 L277 L279V183-L261 HydrophobicContact CB-CD1 4.41Å; V183-L261 HydrophobicContact CG1-CD1 3.53Å; V183-L261 HydrophobicContact CG2-CD1 4.09Å; V183-L261 HydrophobicContact CG2-CD2 3.88Å; I202-L261 HydrophobicContact CD1-CD2 4.07Å; I202-L261 HydrophobicContact CG1-CD2 4.33Å; A252-L261 HydrophobicContact CB-CD1 4.09Å; L261-L277 HydrophobicContact CD2-CD1 4.38Å; L261-L277 PolarHBondContact O-N 3.04Å; L261-L279 HydrophobicContact CB-CB 3.98Å; L261-L279 HydrophobicContact CB-CD1 4.34Å; L261-L279 HydrophobicContact CB-CG 4.48Å; L261-L279 HydrophobicContact CD2-CD1 3.91Å; L261-L279 PolarHBondContact N-O 2.87Å
262R83.4Confident79.5Confident44 Ų4431.3 Ų31.317%0.16619%0.192CC..EExtended strand (participates in β ladder)trans-105.8150175-61.6-169-171.1-109.43.7111.7A252 Y253 S256 P257 G260 L275A252-R262 WeakPolarHBondContact CA-O 3.4Å; Y253-R262 HydrophobicContact CD1-CB 3.98Å; Y253-R262 HydrophobicContact CD2-CB 4.47Å; Y253-R262 HydrophobicContact CE1-CB 3.37Å; Y253-R262 HydrophobicContact CE2-CB 3.99Å; Y253-R262 HydrophobicContact CG-CB 4.48Å; Y253-R262 PolarHBondContact N-O 2.66Å; Y253-R262 PolarHBondContact O-N 3.14Å; Y253-R262 VanDerWaalsContact OH-CD 3.22Å; Y253-R262 WeakPolarHBondContact OH-CD 3.35Å; S256-R262 WeakPolarHBondContact OG-CD 3.35Å; S256-R262 PolarHBondContact OG-NE 3.05Å; P257-R262 PolarHBondContact O-NH2 3.43Å; G260-R262 PolarHBondContact O-N 2.72Å; R262-L275 CarbonylContact C-O 3.54Å; R262-L275 VanDerWaalsContact CA-O 3.25Å; R262-L275 WeakPolarHBondContact CA-O 3.5Å
263V88.8Confident79.6Confident0 Ų031.3 Ų31.30%019%0.192CC..EExtended strand (participates in β ladder)trans-134.7128.6-178.6-179.50000109.2L192 F200 A250 V251 A265 L275 L277L192-V263 HydrophobicContact CD1-CG2 4.39Å; L192-V263 HydrophobicContact CD2-CB 4.21Å; L192-V263 HydrophobicContact CD2-CG1 3.64Å; L192-V263 HydrophobicContact CD2-CG2 3.46Å; L192-V263 VanDerWaalsContact CD2-CG2 3.46Å; F200-V263 HydrophobicContact CE1-CG1 4.21Å; A250-V263 HydrophobicContact CB-CG1 4.11Å; V251-V263 WeakPolarHBondContact O-CA 3.15Å; V263-A265 HydrophobicContact CG1-CB 4.4Å; V263-L275 HydrophobicContact CB-CB 4.39Å; V263-L275 PolarHBondContact N-O 3.5Å; V263-L275 PolarHBondContact O-N 3.23Å; V263-L277 HydrophobicContact CG2-CD1 3.54Å; V263-L277 HydrophobicContact CG2-CG 3.97Å
264V92.1Very high79.9Confident0 Ų031.3 Ų31.30%019%0.192CC..EExtended strand (participates in β ladder)trans-92.4124164-176.70000107.6A250 V251 Y253 L272 V274 L324 C326 I348A250-V264 CarbonylContact C-O 3.51Å; A250-V264 VanDerWaalsContact CA-O 3.32Å; A250-V264 WeakPolarHBondContact CA-O 3.34Å; V251-V264 PolarHBondContact N-O 3.14Å; V251-V264 PolarHBondContact O-N 2.83Å; Y253-V264 HydrophobicContact CD1-CG2 3.93Å; Y253-V264 HydrophobicContact CE1-CG2 3.55Å; V264-L272 HydrophobicContact CG1-CD1 4.11Å; V264-V274 HydrophobicContact CG2-CG2 4.12Å; V264-L324 HydrophobicContact CB-CD1 4.31Å; V264-L324 HydrophobicContact CG1-CD1 4.23Å; V264-C326 HydrophobicContact CG2-CB 4.07Å; V264-C326 VanDerWaalsContact CG2-SG 3.57Å; V264-I348 HydrophobicContact CG1-CD1 4.12Å; V264-I348 HydrophobicContact CG1-CG2 3.95Å; V264-I348 HydrophobicContact CG2-CD1 3.66Å; V264-I348 HydrophobicContact CG2-CG1 4.13Å
265A93.9Very high80.6Confident0 Ų029.8 Ų29.80%018%0.184CC..EExtended strand (participates in β ladder)trans-131.1140.7-179.700000112.1F200 W218 K249 A250 V263 L272 S273 L275F200-A265 HydrophobicContact CE1-CB 3.86Å; F200-A265 HydrophobicContact CZ-CB 3.42Å; F200-A265 VanDerWaalsContact CZ-CB 3.42Å; W218-A265 HydrophobicContact CE3-CB 4.31Å; W218-A265 HydrophobicContact CZ3-CB 3.93Å; K249-A265 WeakPolarHBondContact O-CA 3.1Å; A250-A265 HydrophobicContact CB-CB 4.23Å; V263-A265 HydrophobicContact CG1-CB 4.4Å; A265-L272 WeakPolarHBondContact O-CA 3.4Å; A265-S273 PolarHBondContact N-O 2.93Å; A265-S273 PolarHBondContact O-N 3.03Å; A265-L275 HydrophobicContact CB-CD1 4.14Å
266G94.4Very high81.4Confident0 Ų026.6 Ų26.60%017%0.167CC..EExtended strand (participates in β ladder)trans-117.8151.3173.500000111.1I247 T248 K249 E271I247-G266 WeakPolarHBondContact CG2-O 3.45Å; T248-G266 PolarHBondContact N-O 3.42Å; T248-G266 PolarHBondContact OG1-O 3.13Å; T248-G266 VanDerWaalsContact OG1-O 3.11Å; K249-G266 PolarHBondContact N-O 3.45Å; K249-G266 PolarHBondContact O-N 3.43Å; G266-E271 WeakPolarHBondContact CA-O 3.44Å
267N92.7Very high82.3Confident0 Ų026 Ų260%016%0.162CC..EExtended strand (participates in β ladder)trans-124.7175.1178.972.723.1000113.5W218 R245 P246 V269 G270 E271 I321W218-N267 HydrophobicContact CH2-CB 3.99Å; W218-N267 HydrophobicContact CZ3-CB 3.91Å; R245-N267 HydrophobicContact CB-CB 4.3Å; R245-N267 WeakPolarHBondContact CB-ND2 3.41Å; P246-N267 CarbonylContact O-C 3.38Å; P246-N267 VanDerWaalsContact O-CA 3.27Å; P246-N267 WeakPolarHBondContact O-CA 3.03Å; P246-N267 VanDerWaalsContact O-CB 3.26Å; P246-N267 WeakPolarHBondContact O-CB 3.03Å; N267-V269 PolarHBondContact O-N 3.25Å; N267-V269 PolarHBondContact OD1-N 3.16Å; N267-G270 PolarHBondContact O-N 3.48Å; N267-G270 PolarHBondContact OD1-N 3.4Å; N267-E271 PolarHBondContact N-O 3.13Å; N267-E271 VanDerWaalsContact N-O 3.12Å; N267-E271 WeakPolarHBondContact ND2-CB 3.31Å; N267-E271 PolarHBondContact ND2-OE2 2.59Å; N267-E271 PolarHBondContact OD1-N 3.14Å; N267-I321 PolarHBondContact O-N 3.26Å
268A91.9Very high82.8Confident37 Ų3723.5 Ų23.531%0.30614%0.141SC..THydrogen-bonded Turntrans-69.7-16-178.800000114.4P246 T248 C320P246-A268 HydrophobicContact CB-CB 4.22Å; P246-A268 PolarHBondContact O-N 3.05Å; T248-A268 HydrophobicContact CG2-CB 3.94Å; A268-C320 VanDerWaalsContact O-CA 3.23Å; A268-C320 WeakPolarHBondContact O-CA 3.36Å; A268-C320 VanDerWaalsContact O-CB 3.31Å; A268-C320 WeakPolarHBondContact O-CB 3.41Å; A268-C320 PolarHBondContact O-N 3.01Å
269V89.3Confident83.3Confident82 Ų8221.5 Ų21.550%0.49712%0.116SC..THydrogen-bonded Turntrans-87.4-22.5178.1-1780000111.3N267 G319N267-V269 PolarHBondContact O-N 3.25Å; N267-V269 PolarHBondContact OD1-N 3.16Å; V269-G319 PolarHBondContact O-N 3.39Å
270G89.8Confident83.2Confident3 Ų317 Ų173%0.03110%0.097CC..SBendtrans101.315.6-176.200000114.5N267 A317 G319N267-G270 PolarHBondContact O-N 3.48Å; N267-G270 PolarHBondContact OD1-N 3.4Å; G270-A317 CarbonylContact O-C 3.59Å; G270-A317 WeakPolarHBondContact O-CB 3.17Å; G270-G319 WeakPolarHBondContact CA-O 2.87Å; G270-G319 PolarHBondContact N-O 2.81Å
271E90.3Very high82.5Confident46 Ų4618 Ų1822%0.21510%0.101CC..  trans-77.6130.2166.7-48167.4168.600108.2W218 L227 R245 G266 N267W218-E271 HydrophobicContact CH2-CB 4.32Å; W218-E271 HydrophobicContact CZ2-CB 4.08Å; L227-E271 WeakPolarHBondContact CD2-OE2 3.11Å; R245-E271 IonicContact NE-OE1 2.72Å; R245-E271 PolarHBondContact NE-OE1 3.34Å; G266-E271 WeakPolarHBondContact CA-O 3.44Å; N267-E271 PolarHBondContact N-O 3.13Å; N267-E271 VanDerWaalsContact N-O 3.12Å; N267-E271 WeakPolarHBondContact ND2-CB 3.31Å; N267-E271 PolarHBondContact ND2-OE2 2.59Å; N267-E271 PolarHBondContact OD1-N 3.14Å
272L93Very high81.3Confident1 Ų124.4 Ų24.41%0.00513%0.131CC..EExtended strand (participates in β ladder)trans-118.7127.3173.9-17670.6000107.3V264 A265 L314 A317 I321 L324 I348 A350 Y360V264-L272 HydrophobicContact CG1-CD1 4.11Å; A265-L272 WeakPolarHBondContact O-CA 3.4Å; L272-L314 HydrophobicContact CB-CB 4.29Å; L272-L314 HydrophobicContact CD2-CB 4.11Å; L272-L314 HydrophobicContact CD2-CD1 3.69Å; L272-L314 HydrophobicContact CD2-CG 4.46Å; L272-L314 HydrophobicContact CG-CB 4.24Å; L272-L314 HydrophobicContact CG-CD1 3.92Å; L272-L314 HydrophobicContact CG-CG 4.45Å; L272-L314 PolarHBondContact O-N 3.26Å; L272-A317 HydrophobicContact CB-CB 3.83Å; L272-I321 HydrophobicContact CB-CD1 4.47Å; L272-L324 HydrophobicContact CD1-CD2 4.49Å; L272-I348 HydrophobicContact CD2-CG2 4.47Å; L272-A350 HydrophobicContact CD1-CB 4.31Å; L272-A350 HydrophobicContact CD2-CB 3.71Å; L272-Y360 HydrophobicContact CD2-CD2 3.95Å; L272-Y360 HydrophobicContact CD2-CE2 3.61Å
273S90.9Very high79.8Confident0 Ų023 Ų230%013%0.125CC..EExtended strand (participates in β ladder)trans-141.7143.5-174.9-67.20000112.4A265 R312A265-S273 PolarHBondContact N-O 2.93Å; A265-S273 PolarHBondContact O-N 3.03Å; S273-R312 CarbonylContact C-O 3.53Å; S273-R312 VanDerWaalsContact CA-O 3.25Å; S273-R312 WeakPolarHBondContact CA-O 3.27Å
274V89.4Confident78Confident3 Ų323.7 Ų23.72%0.01813%0.131CC..EExtended strand (participates in β ladder)trans-94.1122.4167.3173.90000107.3Y253 V264 R312 L314 I348Y253-V274 HydrophobicContact CE1-CG1 4.46Å; Y253-V274 WeakPolarHBondContact OH-CG1 3.46Å; V264-V274 HydrophobicContact CG2-CG2 4.12Å; V274-R312 HydrophobicContact CB-CB 4.37Å; V274-R312 PolarHBondContact N-O 3.31Å; V274-R312 PolarHBondContact O-N 3.28Å; V274-L314 HydrophobicContact CG2-CD1 4.12Å; V274-L314 HydrophobicContact CG2-CD2 4.25Å; V274-L314 HydrophobicContact CG2-CG 4.32Å; V274-I348 HydrophobicContact CG2-CD1 3.79Å
275L85.9Confident75.9Confident1 Ų128.9 Ų28.91%0.00516%0.158CC..EExtended strand (participates in β ladder)trans-113.5134.1-175.2-47.7-179000108.8F200 V229 R262 V263 A265 L277 V311F200-L275 HydrophobicContact CD2-CD1 3.93Å; F200-L275 HydrophobicContact CE1-CD1 4.42Å; F200-L275 HydrophobicContact CE2-CD1 3.13Å; F200-L275 HydrophobicContact CZ-CD1 3.44Å; F200-L275 VanDerWaalsContact CZ-CD1 3.44Å; V229-L275 HydrophobicContact CG2-CD1 4.06Å; V229-L275 HydrophobicContact CG2-CD2 3.76Å; V229-L275 HydrophobicContact CG2-CG 4.38Å; R262-L275 CarbonylContact C-O 3.54Å; R262-L275 VanDerWaalsContact CA-O 3.25Å; R262-L275 WeakPolarHBondContact CA-O 3.5Å; V263-L275 HydrophobicContact CB-CB 4.39Å; V263-L275 PolarHBondContact N-O 3.5Å; V263-L275 PolarHBondContact O-N 3.23Å; A265-L275 HydrophobicContact CB-CD1 4.14Å; L275-L277 HydrophobicContact CB-CD2 4.38Å; L275-V311 HydrophobicContact CD2-CB 4.26Å; L275-V311 HydrophobicContact CD2-CG1 3.7Å; L275-V311 HydrophobicContact CD2-CG2 4.05Å
276D80.1Confident73.7Confident14 Ų1431.8 Ų31.88%0.07517%0.174CC..EExtended strand (participates in β ladder)trans-101.4113.1167.4-178.91.9000108R278 P308D276-R278 VanDerWaalsContact C-N 3.29Å; D276-R278 WeakPolarHBondContact OD1-CA 3.27Å; D276-R278 PolarHBondContact OD1-N 3.1Å; D276-P308 WeakPolarHBondContact O-CB 3.23Å
277L75.2Confident71.1Confident5 Ų539.4 Ų39.43%0.02621%0.214CC..  trans-86-6179.8-58.3-172.5000112.3L192 I202 H216 V229 L261 V263 L275 L279L192-L277 HydrophobicContact CD1-CD1 3.95Å; I202-L277 HydrophobicContact CD1-CB 4.42Å; I202-L277 HydrophobicContact CD1-CD1 3.66Å; I202-L277 HydrophobicContact CG1-CD1 4.37Å; H216-L277 HydrophobicContact CB-CD2 4.05Å; H216-L277 PolarHBondContact CE1-O 2.97Å; H216-L277 VanDerWaalsContact CE1-O 3.25Å; V229-L277 HydrophobicContact CG1-CD2 4.19Å; L261-L277 HydrophobicContact CD2-CD1 4.38Å; L261-L277 PolarHBondContact O-N 3.04Å; V263-L277 HydrophobicContact CG2-CD1 3.54Å; V263-L277 HydrophobicContact CG2-CG 3.97Å; L275-L277 HydrophobicContact CB-CD2 4.38Å; L277-L279 VanDerWaalsContact C-N 3.34Å; L277-L279 PolarHBondContact O-N 2.96Å
278R64.2Low68.4Low43 Ų4348.6 Ų48.616%0.16226%0.255CS..  trans52.643.7178.4-57-158.3156.5168.913.8115D276 P305 D306 P307 P308D276-R278 VanDerWaalsContact C-N 3.29Å; D276-R278 WeakPolarHBondContact OD1-CA 3.27Å; D276-R278 PolarHBondContact OD1-N 3.1Å; R278-P305 HydrophobicContact CB-CG 3.92Å; R278-P305 WeakPolarHBondContact CD-O 3.21Å; R278-P305 PolarHBondContact NH1-O 2.96Å; R278-P305 WeakPolarHBondContact O-CG 3.21Å; R278-D306 PolarHBondContact NH1-O 3.23Å; R278-P307 PolarHBondContact NH1-O 3.06Å; R278-P307 VanDerWaalsContact NH2-C 3.34Å; R278-P307 PolarHBondContact NH2-O 3.4Å; R278-P308 HydrophobicContact CG-CB 4.2Å; R278-P308 VanDerWaalsContact CZ-N 3.25Å
279L64.4Low65.7Low17 Ų1754.6 Ų54.69%0.08927%0.274CS..  trans-82.2125.5161.5-70.8-178000109.3I202 A214 G260 L261 L277 Y283I202-L279 HydrophobicContact CD1-CD1 3.59Å; I202-L279 HydrophobicContact CD1-CG 4.21Å; I202-L279 HydrophobicContact CG1-CD1 4.41Å; I202-L279 HydrophobicContact CG2-CD1 3.99Å; A214-L279 HydrophobicContact CB-CD2 4.35Å; G260-L279 VanDerWaalsContact CA-O 3.23Å; G260-L279 WeakPolarHBondContact CA-O 3.07Å; L261-L279 HydrophobicContact CB-CB 3.98Å; L261-L279 HydrophobicContact CB-CD1 4.34Å; L261-L279 HydrophobicContact CB-CG 4.48Å; L261-L279 HydrophobicContact CD2-CD1 3.91Å; L261-L279 PolarHBondContact N-O 2.87Å; L277-L279 VanDerWaalsContact C-N 3.34Å; L277-L279 PolarHBondContact O-N 2.96Å; L279-Y283 HydrophobicContact CB-CD2 4.46Å; L279-Y283 HydrophobicContact CD2-CD2 4.48Å; L279-Y283 HydrophobicContact CD2-CE2 4.23Å
280P53.9Low63.1Low42 Ų4259.1 Ų59.127%0.27330%0.295SS..  trans-53.7142.3173.8-2533.4000111.1E282 Y283P280-E282 PolarHBondContact O-N 3.29Å; P280-E282 VanDerWaalsContact O-N 3.08Å; P280-Y283 WeakPolarHBondContact O-CB 3.2Å; P280-Y283 PolarHBondContact O-N 3.36Å
281P51.6Low60.4Low34 Ų3460.9 Ų60.922%0.22131%0.314CS..G310 helixtrans-62.6-17.1-179.625.6-34.3000113.5M259 Y283 S284 N285M259-P281 HydrophobicContact CE-CG 3.61Å; M259-P281 HydrophobicContact SD-CG 3.72Å; P281-Y283 PolarHBondContact O-N 2.86Å; P281-Y283 VanDerWaalsContact O-N 3.08Å; P281-S284 WeakPolarHBondContact O-CA 3.34Å; P281-S284 PolarHBondContact O-N 2.72Å; P281-N285 PolarHBondContact O-N 2.74Å
282E51.5Low57.7Low141 Ų14164.9 Ų64.966%0.65935%0.347SS*.G310 helixtrans-54.3-21.1168.8-63.9170.4-166.200112.8P280P280-E282 PolarHBondContact O-N 3.29Å; P280-E282 VanDerWaalsContact O-N 3.08Å
283Y53.6Low55Low13 Ų1367.5 Ų67.55%0.05137%0.374CS..G310 helixtrans-71.8-36.4169.6-89.9-86.2000113.9L190 R206 L279 P280 P281 Y300 G301L190-Y283 WeakPolarHBondContact CD1-O 3.27Å; L190-Y283 HydrophobicContact CD2-CD1 4.42Å; R206-Y283 PolarHBondContact NH1-O 2.94Å; R206-Y283 VanDerWaalsContact NH1-O 3.15Å; R206-Y283 PolarHBondContact NH2-O 2.88Å; L279-Y283 HydrophobicContact CB-CD2 4.46Å; L279-Y283 HydrophobicContact CD2-CD2 4.48Å; L279-Y283 HydrophobicContact CD2-CE2 4.23Å; P280-Y283 WeakPolarHBondContact O-CB 3.2Å; P280-Y283 PolarHBondContact O-N 3.36Å; P281-Y283 PolarHBondContact O-N 2.86Å; P281-Y283 VanDerWaalsContact O-N 3.08Å; Y283-Y300 HydrophobicContact CE2-CD2 4.42Å; Y283-Y300 HydrophobicContact CE2-CG 4.49Å; Y283-Y300 WeakPolarHBondContact OH-CA 3.21Å; Y283-Y300 WeakPolarHBondContact OH-CB 3.43Å; Y283-Y300 PolarHBondContact OH-N 2.82Å; Y283-Y300 PolarHBondContact OH-O 3.5Å; Y283-G301 PolarHBondContact OH-N 2.75Å
284S50.4Low52.7Low16 Ų1672.6 Ų72.611%0.11242%0.416CS..THydrogen-bonded Turntrans-88.7-31.5-175-51.70000112.6P281 L286P281-S284 WeakPolarHBondContact O-CA 3.34Å; P281-S284 PolarHBondContact O-N 2.72Å; S284-L286 PolarHBondContact O-N 3.45Å
285N47.9Very low50.3Low108 Ų10878.6 Ų78.658%0.57845%0.447SS*.  trans-79.6112.3-177-74.3-32.1000111.9P281P281-N285 PolarHBondContact O-N 2.74Å
286L48.5Very low48.3Very low62 Ų6283.2 Ų83.233%0.32548%0.477SS..  trans-86.2-6.2-174.2-73.7167.8000115.9K185 N187 S284 F288K185-L286 WeakPolarHBondContact O-CD1 3.43Å; N187-L286 HydrophobicContact CB-CD1 3.84Å; N187-L286 VanDerWaalsContact ND2-CD1 3.32Å; N187-L286 WeakPolarHBondContact ND2-CD1 3.47Å; S284-L286 PolarHBondContact O-N 3.45Å; L286-F288 PolarHBondContact O-N 3.2Å
287N39.2Very low47Very low159 Ų15985.8 Ų85.885%0.8549%0.493SS*.  trans-89.517-165.5-73.6-0.6000116.4
288F35.3Very low45.8Very low194 Ų19495.8 Ų95.885%0.85153%0.53SS*.SBendtrans-11391.2162.1-79.3-80.2000108.6L286L286-F288 PolarHBondContact O-N 3.2Å
289F36.3Very low44.9Very low162 Ų16296.1 Ų96.171%0.71154%0.54SS*.  trans173.575.6140.4-99.8-76.1000108.6
290D33.6Very low44.1Very low177 Ų177102.2 Ų102.295%0.94756%0.562SS**  trans-90.5105.5150.5-162.914.4000105.2
291G32.8Very low43.5Very low41 Ų41101.3 Ų101.342%0.42356%0.561SS.*SBendtrans149.4109.4-178.400000115.4
292S34.3Very low43.1Very low129 Ų129105.8 Ų105.890%0.90259%0.593SS**SBendtrans0.5116.7157.557.30000118.2
293G37.1Very low42.7Very low56 Ų56109.8 Ų109.858%0.57760%0.602SS**  trans115.2101.316600000112.3I295G293-I295 PolarHBondContact O-N 2.9Å
294A41.4Very low41.9Very low107 Ų107113.3 Ų113.388%0.88463%0.634SS**  trans-67.774.9173.600000110.5P296A294-P296 WeakPolarHBondContact O-CD 3.41Å
295I40.3Very low41.4Very low130 Ų130115.4 Ų115.467%0.66765%0.647SS**  trans-68.2119.9164.5-58.4173.6000105.2G293 V297G293-I295 PolarHBondContact O-N 2.9Å; I295-V297 PolarHBondContact O-N 2.89Å
296P43.3Very low41.1Very low97 Ų97116.5 Ų116.563%0.6365%0.653SS**  trans-57.6115.1176.821-30.1000108.2A294 R298A294-P296 WeakPolarHBondContact O-CD 3.41Å; P296-R298 PolarHBondContact O-N 3.21Å
297V52.5Low41Very low69 Ų69118.6 Ų118.642%0.41867%0.671SS.*  trans-55.4113174.7179.50000106.3C207 I295 S299C207-V297 WeakPolarHBondContact CB-O 3.36Å; I295-V297 PolarHBondContact O-N 2.89Å; V297-S299 PolarHBondContact O-N 3.1Å; V297-S299 VanDerWaalsContact O-N 3.15Å
298R49.5Very low41.4Very low214 Ų214113.2 Ų113.281%0.80864%0.644SS**  trans-59.5123.1178-71-176.1179-171.10.5106.8P296 Y300P296-R298 PolarHBondContact O-N 3.21Å; R298-Y300 PolarHBondContact O-N 3.32Å
299S46.4Very low42.2Very low51 Ų51108.8 Ų108.836%0.35764%0.637SS.*  trans-59.4115.4168.468.50000107V297 G301V297-S299 PolarHBondContact O-N 3.1Å; V297-S299 VanDerWaalsContact O-N 3.15Å; S299-G301 PolarHBondContact O-N 2.85Å
300Y46.6Very low43.5Very low144 Ų144102.8 Ų102.857%0.56562%0.621SS**  trans-73.153167-65.9-86.4000109.7Y283 R298Y283-Y300 HydrophobicContact CE2-CD2 4.42Å; Y283-Y300 HydrophobicContact CE2-CG 4.49Å; Y283-Y300 WeakPolarHBondContact OH-CA 3.21Å; Y283-Y300 WeakPolarHBondContact OH-CB 3.43Å; Y283-Y300 PolarHBondContact OH-N 2.82Å; Y283-Y300 PolarHBondContact OH-O 3.5Å; R298-Y300 PolarHBondContact O-N 3.32Å
301G42.4Very low45.5Very low24 Ų2495.7 Ų95.725%0.24758%0.584CS.*  trans-72.1130.3170.600000107.7Y283 S299 R303Y283-G301 PolarHBondContact OH-N 2.75Å; S299-G301 PolarHBondContact O-N 2.85Å; G301-R303 PolarHBondContact O-N 3.47Å
302S43.4Very low47.9Very low128 Ų12898.4 Ų98.490%0.89558%0.582SS**SBendtrans76.55.6165.564.70000121A304S302-A304 PolarHBondContact O-N 2.83Å; S302-A304 VanDerWaalsContact O-N 3.12Å
303R41.4Very low50.4Low224 Ų22495.6 Ų95.685%0.84556%0.561SS**  trans-79.294.4158.6-77.3-169.1178.7-164.9-0.7108.2G301 P305G301-R303 PolarHBondContact O-N 3.47Å; R303-P305 WeakPolarHBondContact O-CD 3.05Å; R303-P305 VanDerWaalsContact O-N 3.1Å
304A36.6Very low53Low88 Ų8893.2 Ų93.273%0.72754%0.535SS*.  trans-53.1109.4-178.600000110.9S302 D306S302-A304 PolarHBondContact O-N 2.83Å; S302-A304 VanDerWaalsContact O-N 3.12Å; A304-D306 PolarHBondContact O-N 3.45Å
305P41.9Very low55Low60 Ų6091.8 Ų91.839%0.3952%0.523SS..  trans-80.680.6167.928.7-20000107.3R278 R303R278-P305 HydrophobicContact CB-CG 3.92Å; R278-P305 WeakPolarHBondContact CD-O 3.21Å; R278-P305 PolarHBondContact NH1-O 2.96Å; R278-P305 WeakPolarHBondContact O-CG 3.21Å; R303-P305 WeakPolarHBondContact O-CD 3.05Å; R303-P305 VanDerWaalsContact O-N 3.1Å
306D40.9Very low57Low130 Ų13087.6 Ų87.670%0.69551%0.512SS*.SBendtrans53.7170.4-179.4-69.3-34.8000114R278 A304R278-D306 PolarHBondContact NH1-O 3.23Å; A304-D306 PolarHBondContact O-N 3.45Å
307P45.6Very low58.9Low107 Ų10784 Ų8470%0.69549%0.49SS*.SBendtrans-80.6125.3173.228.9-33.4000114.1R278 S309R278-P307 PolarHBondContact NH1-O 3.06Å; R278-P307 VanDerWaalsContact NH2-C 3.34Å; R278-P307 PolarHBondContact NH2-O 3.4Å; P307-S309 PolarHBondContact O-N 3.49Å
308P48Very low60.5Low46 Ų4684 Ų8430%0.29949%0.493SS..  trans-31.6130.4-178.95.1-21.9000114.9D276 R278 G310D276-P308 WeakPolarHBondContact O-CB 3.23Å; R278-P308 HydrophobicContact CG-CB 4.2Å; R278-P308 VanDerWaalsContact CZ-N 3.25Å; P308-G310 PolarHBondContact O-N 3.41Å
309S52.1Low62.4Low101 Ų10174.8 Ų74.871%0.70647%0.465SS*.SBendtrans-73.39.4-176.2390000112.2P307P307-S309 PolarHBondContact O-N 3.49Å
310G63.8Low64.6Low35 Ų3573.8 Ų73.836%0.36146%0.458SS..  trans139.4146.6159.300000112.5P308 R312P308-G310 PolarHBondContact O-N 3.41Å; G310-R312 PolarHBondContact O-N 2.84Å
311V74.9Confident67Low29 Ų2966.9 Ų66.918%0.17643%0.431CS..  trans-68.2115.7152.5177.70000106.4L227 V229 L275L227-V311 HydrophobicContact CB-CG1 4.05Å; V229-V311 HydrophobicContact CB-CG2 3.69Å; V229-V311 HydrophobicContact CG2-CG2 3.46Å; V229-V311 VanDerWaalsContact CG2-CG2 3.46Å; V229-V311 VanDerWaalsContact N-CG2 3.29Å; L275-V311 HydrophobicContact CD2-CB 4.26Å; L275-V311 HydrophobicContact CD2-CG1 3.7Å; L275-V311 HydrophobicContact CD2-CG2 4.05Å
312R84.4Confident69.4Low98 Ų9866.7 Ų66.737%0.3742%0.424SS..EExtended strand (participates in β ladder)trans-93.2112170.2-174.8-169.9-64.8163.6-9.9108.7S273 V274 G310 R362 D363S273-R312 CarbonylContact C-O 3.53Å; S273-R312 VanDerWaalsContact CA-O 3.25Å; S273-R312 WeakPolarHBondContact CA-O 3.27Å; V274-R312 HydrophobicContact CB-CB 4.37Å; V274-R312 PolarHBondContact N-O 3.31Å; V274-R312 PolarHBondContact O-N 3.28Å; G310-R312 PolarHBondContact O-N 2.84Å; R312-R362 PolarHBondContact NH1-O 3.22Å; R312-D363 PolarHBondContact NH1-O 2.86Å; R312-D363 PolarHBondContact NH2-O 3.42Å
313C86.9Confident71.8Confident69 Ų6961 Ų6147%0.46638%0.384SS..EExtended strand (participates in β ladder)trans-79.8127.5175.4-54.50000109.5L227 A315L227-C313 WeakPolarHBondContact CD1-SG 3.34Å; C313-A315 PolarHBondContact O-N 3.28Å
314L89.8Confident74.2Confident7 Ų750.5 Ų50.54%0.03735%0.345CS..EExtended strand (participates in β ladder)trans-85.3110.5172.9-59.3-173.6000108.4L272 V274 I348 Y360L272-L314 HydrophobicContact CB-CB 4.29Å; L272-L314 HydrophobicContact CD2-CB 4.11Å; L272-L314 HydrophobicContact CD2-CD1 3.69Å; L272-L314 HydrophobicContact CD2-CG 4.46Å; L272-L314 HydrophobicContact CG-CB 4.24Å; L272-L314 HydrophobicContact CG-CD1 3.92Å; L272-L314 HydrophobicContact CG-CG 4.45Å; L272-L314 PolarHBondContact O-N 3.26Å; V274-L314 HydrophobicContact CG2-CD1 4.12Å; V274-L314 HydrophobicContact CG2-CD2 4.25Å; V274-L314 HydrophobicContact CG2-CG 4.32Å; L314-I348 HydrophobicContact CD1-CD1 3.7Å; L314-Y360 HydrophobicContact CB-CD1 3.97Å; L314-Y360 HydrophobicContact CB-CE1 3.83Å; L314-Y360 HydrophobicContact CB-CG 4.47Å; L314-Y360 HydrophobicContact CD1-CD1 4.34Å; L314-Y360 HydrophobicContact CD1-CD2 4.35Å; L314-Y360 HydrophobicContact CD1-CG 4.08Å
315A85Confident76.8Confident76 Ų7646.7 Ų46.763%0.62831%0.312SS*.THydrogen-bonded Turntrans-67.8152-171.600000113C313 A317 Y360C313-A315 PolarHBondContact O-N 3.28Å; A315-A317 VanDerWaalsContact C-N 3.33Å; A315-A317 PolarHBondContact O-N 2.85Å; A315-Y360 VanDerWaalsContact O-CE1 3.23Å; A315-Y360 WeakPolarHBondContact O-CE1 3.28Å; A315-Y360 PolarHBondContact O-OH 2.66Å
316G81.3Confident78.9Confident42 Ų4243.9 Ų43.943%0.43329%0.294SS..THydrogen-bonded Turntrans82.22.6171.100000115.9R358G316-R358 PolarHBondContact O-NE 2.79Å; G316-R358 PolarHBondContact O-NH2 3.27Å
317A83Confident80.8Confident22 Ų2238.1 Ų38.118%0.18226%0.263CS..  trans-71.7137.8163.400000109.8G270 L272 A315 I321 Y360G270-A317 CarbonylContact O-C 3.59Å; G270-A317 WeakPolarHBondContact O-CB 3.17Å; L272-A317 HydrophobicContact CB-CB 3.83Å; A315-A317 VanDerWaalsContact C-N 3.33Å; A315-A317 PolarHBondContact O-N 2.85Å; A317-I321 HydrophobicContact CB-CD1 4.36Å; A317-Y360 PolarHBondContact N-OH 2.84Å
318S87.1Confident82.2Confident69 Ų6933.7 Ų33.748%0.48324%0.237SC..  trans-150.2152.2178.2-174.40000108.6S352 D354S318-S352 VanDerWaalsContact O-CB 3.27Å; S318-S352 WeakPolarHBondContact O-CB 3.49Å; S318-S352 PolarHBondContact O-OG 3.29Å; S318-S352 VanDerWaalsContact O-OG 3.06Å; S318-D354 VanDerWaalsContact O-CG 3.23Å; S318-D354 VanDerWaalsContact O-OD2 3.1Å
319G88.4Confident83.1Confident20 Ų2032 Ų3221%0.20623%0.227CC..SBendtrans69.9155.8-175.600000113.2V269 G270 I321V269-G319 PolarHBondContact O-N 3.39Å; G270-G319 WeakPolarHBondContact CA-O 2.87Å; G270-G319 PolarHBondContact N-O 2.81Å; G319-I321 PolarHBondContact O-N 3.02Å; G319-I321 VanDerWaalsContact O-N 3.14Å
320C94Very high83.2Confident30 Ų3029.6 Ų29.620%0.20321%0.207CC..  trans-48.7121.1-177.9177.40000112A268 T322 S352 L353A268-C320 VanDerWaalsContact O-CA 3.23Å; A268-C320 WeakPolarHBondContact O-CA 3.36Å; A268-C320 VanDerWaalsContact O-CB 3.31Å; A268-C320 WeakPolarHBondContact O-CB 3.41Å; A268-C320 PolarHBondContact O-N 3.01Å; C320-T322 PolarHBondContact O-N 2.88Å; C320-S352 WeakPolarHBondContact O-CA 3.34Å; C320-L353 HydrophobicContact CB-CB 4.46Å; C320-L353 HydrophobicContact CB-CD1 3.67Å; C320-L353 HydrophobicContact CB-CG 4.03Å; C320-L353 PolarHBondContact O-N 2.97Å
321I95.5Very high82.6Confident0 Ų034.9 Ų34.90%022%0.222CC..EExtended strand (participates in β ladder)trans-67.1118.1174-56.6-61.7000107.9T248 N267 L272 A317 G319 S351 S352T248-I321 WeakPolarHBondContact CB-O 3.33Å; T248-I321 PolarHBondContact OG1-O 2.72Å; N267-I321 PolarHBondContact O-N 3.26Å; L272-I321 HydrophobicContact CB-CD1 4.47Å; A317-I321 HydrophobicContact CB-CD1 4.36Å; G319-I321 PolarHBondContact O-N 3.02Å; G319-I321 VanDerWaalsContact O-N 3.14Å; I321-S351 WeakPolarHBondContact CA-O 3.5Å; I321-S352 WeakPolarHBondContact CD1-OG 3.4Å
322T93.8Very high81.4Confident19 Ų1935.1 Ų35.112%0.11722%0.221CC..EExtended strand (participates in β ladder)trans-90.8-44.3-177.149.90000111.8K249 C320 S351 L353 V377 T378K249-T322 VanDerWaalsContact CE-O 3.27Å; K249-T322 WeakPolarHBondContact CE-O 3.43Å; K249-T322 WeakPolarHBondContact CG-O 3.45Å; C320-T322 PolarHBondContact O-N 2.88Å; T322-S351 PolarHBondContact N-O 3.16Å; T322-S351 PolarHBondContact OG1-O 3.13Å; T322-S351 PolarHBondContact OG1-OG 3.24Å; T322-L353 HydrophobicContact CG2-CB 4.49Å; T322-L353 HydrophobicContact CG2-CD2 3.43Å; T322-L353 VanDerWaalsContact CG2-CD2 3.43Å; T322-L353 HydrophobicContact CG2-CG 3.54Å; T322-V377 VanDerWaalsContact CB-O 3.26Å; T322-V377 WeakPolarHBondContact CB-O 3.1Å; T322-V377 VanDerWaalsContact CG2-O 3.23Å; T322-V377 WeakPolarHBondContact CG2-O 3.38Å; T322-V377 PolarHBondContact OG1-O 3.32Å; T322-T378 WeakPolarHBondContact CB-O 3.5Å
323Q93.4Very high79.6Confident9 Ų931 Ų314%0.04221%0.206CC..EExtended strand (participates in β ladder)trans-143.9149.8178.7-169.773.4-49.200110.4K249 S351 F380K249-Q323 VanDerWaalsContact CD-OE1 3.3Å; Q323-S351 WeakPolarHBondContact CB-OG 3.21Å; Q323-S351 PolarHBondContact N-OG 2.89Å; Q323-S351 VanDerWaalsContact N-OG 3.15Å; Q323-S351 PolarHBondContact O-N 2.62Å; Q323-S351 PolarHBondContact O-OG 3.39Å; Q323-F380 HydrophobicContact CB-CD1 3.72Å; Q323-F380 HydrophobicContact CB-CE1 3.61Å; Q323-F380 HydrophobicContact CG-CD1 3.91Å; Q323-F380 HydrophobicContact CG-CE1 3.77Å; Q323-F380 HydrophobicContact CG-CZ 4.44Å
324L91.9Very high77.7Confident4 Ų428.5 Ų28.52%0.02119%0.189CC..EExtended strand (participates in β ladder)trans-140.9145.8172.271.590.2000110.7K249 V251 V264 L272 V349K249-L324 HydrophobicContact CB-CD2 3.41Å; K249-L324 VanDerWaalsContact CB-CD2 3.41Å; K249-L324 HydrophobicContact CB-CG 3.79Å; K249-L324 WeakPolarHBondContact O-CD2 3.44Å; V251-L324 HydrophobicContact CB-CD1 3.62Å; V251-L324 HydrophobicContact CG2-CD1 3.35Å; V251-L324 HydrophobicContact CG2-CG 4.31Å; V264-L324 HydrophobicContact CB-CD1 4.31Å; V264-L324 HydrophobicContact CG1-CD1 4.23Å; L272-L324 HydrophobicContact CD1-CD2 4.49Å; L324-V349 CarbonylContact C-O 3.33Å; L324-V349 WeakPolarHBondContact CA-O 3.45Å
325I90.2Very high75.5Confident8 Ų829.1 Ų29.14%0.04119%0.191CC..EExtended strand (participates in β ladder)trans-131.4137.6174.3-56.9-177.5000107.4T334 V342 I348 V349 F380 V382I325-T334 HydrophobicContact CG2-CG2 4.14Å; I325-V342 HydrophobicContact CB-CG2 4.49Å; I325-V342 HydrophobicContact CG2-CG2 3.53Å; I325-I348 WeakPolarHBondContact O-CA 3.3Å; I325-V349 PolarHBondContact N-O 3.4Å; I325-V349 PolarHBondContact O-N 2.87Å; I325-F380 HydrophobicContact CB-CE2 4.38Å; I325-F380 HydrophobicContact CB-CZ 4.41Å; I325-F380 HydrophobicContact CD1-CD2 4.01Å; I325-F380 HydrophobicContact CD1-CE2 3.49Å; I325-F380 VanDerWaalsContact CD1-CE2 3.49Å; I325-F380 HydrophobicContact CD1-CZ 4.08Å; I325-F380 HydrophobicContact CG1-CE2 3.8Å; I325-F380 HydrophobicContact CG1-CZ 3.87Å; I325-V382 HydrophobicContact CD1-CB 4.5Å; I325-V382 HydrophobicContact CD1-CG2 4.08Å
326C87.7Confident73.1Confident1 Ų126.2 Ų26.21%0.00717%0.166CC..EExtended strand (participates in β ladder)trans-129.8129.8-179.7-175.10000109.6V251 V264 A329 I348 R362V251-C326 HydrophobicContact CG1-CB 4.3Å; V264-C326 HydrophobicContact CG2-CB 4.07Å; V264-C326 VanDerWaalsContact CG2-SG 3.57Å; C326-A329 WeakPolarHBondContact O-CB 3.07Å; C326-A329 PolarHBondContact O-N 3.41Å; C326-I348 HydrophobicContact CB-CG1 4.42Å; C326-R362 VanDerWaalsContact SG-CD 3.59Å
327S80.8Confident70.7Confident8 Ų826.7 Ų26.76%0.05616%0.156CC..THydrogen-bonded Turntrans-58.9143.6169.7175.80000110.6A329 N343 E345 V347 R362S327-A329 VanDerWaalsContact C-N 3.28Å; S327-A329 PolarHBondContact O-N 3Å; S327-N343 PolarHBondContact OG-O 2.96Å; S327-E345 WeakPolarHBondContact CB-O 3.5Å; S327-E345 PolarHBondContact OG-O 3Å; S327-V347 WeakPolarHBondContact CB-O 3.31Å; S327-V347 PolarHBondContact N-O 3.06Å; S327-R362 VanDerWaalsContact C-NH1 3.26Å; S327-R362 WeakPolarHBondContact O-CD 3.46Å; S327-R362 PolarHBondContact O-NH1 2.97Å
328G73.3Confident68.3Low15 Ų1532.6 Ų32.616%0.15518%0.182CC..THydrogen-bonded Turntrans76.210.3-178.600000114.9Y253 D254Y253-G328 WeakPolarHBondContact CB-O 3.46Å; D254-G328 PolarHBondContact N-O 2.81Å
329A67.4Low65.8Low10 Ų1031.7 Ų31.78%0.08317%0.17CC..  trans-81.5111.6155.400000106.6V251 A252 C326 S327 N333 T334V251-A329 HydrophobicContact CG1-CB 3.44Å; V251-A329 VanDerWaalsContact CG1-CB 3.44Å; A252-A329 WeakPolarHBondContact O-CB 3.25Å; C326-A329 WeakPolarHBondContact O-CB 3.07Å; C326-A329 PolarHBondContact O-N 3.41Å; S327-A329 VanDerWaalsContact C-N 3.28Å; S327-A329 PolarHBondContact O-N 3Å; A329-N333 HydrophobicContact CB-CB 3.86Å; A329-T334 PolarHBondContact O-OG1 3.22Å
330D53.8Low63.7Low51 Ų5131 Ų3127%0.27316%0.162SC..  trans-50.2162.8178.7-77-15.9000112.3P184 K185 E332 N333P184-D330 WeakPolarHBondContact CA-OD2 3.41Å; P184-D330 HydrophobicContact CB-CB 3.84Å; P184-D330 VanDerWaalsContact CB-OD2 3.27Å; P184-D330 WeakPolarHBondContact CB-OD2 3.42Å; P184-D330 HydrophobicContact CG-CB 4.29Å; K185-D330 WeakPolarHBondContact CG-OD2 3.29Å; K185-D330 PolarHBondContact N-OD2 2.59Å; D330-E332 PolarHBondContact O-N 2.71Å; D330-N333 PolarHBondContact O-N 2.83Å
331E51.9Low61.5Low146 Ų14632.2 Ų32.268%0.68217%0.174SC*.THydrogen-bonded Turntrans-44.9-23.4-179-63.1176171.500114.7
332E49.2Very low59.4Low34 Ų3432.6 Ų32.616%0.15918%0.177CC..THydrogen-bonded Turntrans-76.5-20.6178.3-57.9-171.2161.200114.2V182 G188 D330V182-E332 HydrophobicContact CG1-CB 4.48Å; V182-E332 VanDerWaalsContact CG1-OE2 3.25Å; V182-E332 WeakPolarHBondContact CG1-OE2 3.26Å; G188-E332 PolarHBondContact N-OE2 2.92Å; D330-E332 PolarHBondContact O-N 2.71Å
333N48.1Very low57.4Low10 Ų1033.9 Ų33.95%0.05318%0.183CC..THydrogen-bonded Turntrans-103.8-30-177.7-92-19.1000114.4S181 V182 V251 A252 A329 D330S181-N333 WeakPolarHBondContact CA-OD1 3.23Å; S181-N333 PolarHBondContact OG-ND2 3.39Å; S181-N333 PolarHBondContact OG-OD1 2.84Å; V182-N333 PolarHBondContact N-OD1 2.85Å; V182-N333 PolarHBondContact O-ND2 3.17Å; V182-N333 PolarHBondContact O-OD1 3.4Å; V251-N333 HydrophobicContact CG1-CB 4.41Å; A252-N333 PolarHBondContact O-ND2 3.05Å; A329-N333 HydrophobicContact CB-CB 3.86Å; D330-N333 PolarHBondContact O-N 2.83Å
334T45.6Very low56.1Low18 Ų1839.4 Ų39.411%0.1122%0.223CC..SBendtrans-93.7129-176.1-55.20000107.8I325 A329 P336 A340I325-T334 HydrophobicContact CG2-CG2 4.14Å; A329-T334 PolarHBondContact O-OG1 3.22Å; T334-P336 WeakPolarHBondContact O-CA 3.47Å; T334-P336 VanDerWaalsContact O-CD 3.28Å; T334-P336 WeakPolarHBondContact O-CD 3.14Å; T334-P336 WeakPolarHBondContact O-CG 3.35Å; T334-A340 HydrophobicContact CG2-CB 4.43Å
335F43.6Very low55.3Low19 Ų1941.7 Ų41.78%0.08323%0.233CC..  trans-40.9107.3178.9-61.1-81.7000110.5Q90 F337 A340 L381Q90-F335 HydrophobicContact CG-CD1 4.37Å; F335-F337 PolarHBondContact O-N 3Å; F335-F337 VanDerWaalsContact O-N 3.17Å; F335-A340 WeakPolarHBondContact O-CB 3.41Å; F335-L381 HydrophobicContact CB-CD2 3.94Å; F335-L381 HydrophobicContact CG-CD2 4.22Å
336P34.8Very low55Low15 Ų1543 Ų4310%0.09724%0.242CC..  trans-79.5115.4-155.7-15.930.5000111.6S91 T334S91-P336 WeakPolarHBondContact O-CB 3.48Å; S91-P336 WeakPolarHBondContact O-CD 3.49Å; S91-P336 WeakPolarHBondContact O-CG 3.49Å; S91-P336 PolarHBondContact OG-O 2.83Å; T334-P336 WeakPolarHBondContact O-CA 3.47Å; T334-P336 VanDerWaalsContact O-CD 3.28Å; T334-P336 WeakPolarHBondContact O-CD 3.14Å; T334-P336 WeakPolarHBondContact O-CG 3.35Å
337F31.4Very low55.1Low53 Ų5343.1 Ų43.123%0.23224%0.243CC..  trans-140.7155.9140.5-173.7-137000107.4W48 G50 F335 E339 A340W48-F337 HydrophobicContact CB-CB 3.5Å; W48-F337 HydrophobicContact CB-CD1 4.17Å; W48-F337 HydrophobicContact CB-CG 4.09Å; W48-F337 HydrophobicContact CG-CB 4.2Å; G50-F337 WeakPolarHBondContact O-CD1 3.4Å; G50-F337 WeakPolarHBondContact O-CE1 3.39Å; F335-F337 PolarHBondContact O-N 3Å; F335-F337 VanDerWaalsContact O-N 3.17Å; F337-E339 HydrophobicContact CD1-CB 3.3Å; F337-E339 HydrophobicContact CD1-CG 3.5Å; F337-E339 HydrophobicContact CE1-CB 3.66Å; F337-E339 HydrophobicContact CE1-CG 3.24Å; F337-E339 HydrophobicContact CG-CB 4.32Å; F337-E339 HydrophobicContact CZ-CG 4.27Å; F337-E339 CarbonylContact O-C 3.47Å; F337-E339 PolarHBondContact O-N 2.89Å; F337-A340 PolarHBondContact O-N 2.79Å
338M32.5Very low55.5Low145 Ų14542.7 Ų42.771%0.71424%0.24SC*.THydrogen-bonded Turntrans-51.4-15.6160.7-92.7-17465.500112.3S384M338-S384 WeakPolarHBondContact O-CB 3.36Å; M338-S384 PolarHBondContact O-OG 3.12Å
339E34.6Very low56.4Low50 Ų5042 Ų4223%0.23423%0.233CC..THydrogen-bonded Turntrans-99.629164.6-47.517116900116.2F337 V382 R383 S384F337-E339 HydrophobicContact CD1-CB 3.3Å; F337-E339 HydrophobicContact CD1-CG 3.5Å; F337-E339 HydrophobicContact CE1-CB 3.66Å; F337-E339 HydrophobicContact CE1-CG 3.24Å; F337-E339 HydrophobicContact CG-CB 4.32Å; F337-E339 HydrophobicContact CZ-CG 4.27Å; F337-E339 CarbonylContact O-C 3.47Å; F337-E339 PolarHBondContact O-N 2.89Å; E339-V382 VanDerWaalsContact O-O 3.05Å; E339-R383 HydrophobicContact CB-CG 3.67Å; E339-R383 VanDerWaalsContact CD-NE 3.32Å; E339-R383 HydrophobicContact CG-CG 4.29Å; E339-R383 CarbonylContact O-C 3.47Å; E339-R383 WeakPolarHBondContact O-CA 3.35Å; E339-R383 IonicContact OE1-NE 2.84Å; E339-R383 IonicContact OE1-NH2 3.76Å; E339-R383 IonicContact OE2-CZ 3.72Å; E339-R383 VanDerWaalsContact OE2-CZ 3.22Å; E339-R383 IonicContact OE2-NE 3.7Å; E339-R383 PolarHBondContact OE2-NE 2.88Å; E339-R383 IonicContact OE2-NH2 3.51Å; E339-R383 PolarHBondContact OE2-NH2 3.22Å; E339-S384 VanDerWaalsContact CA-OG 3.28Å; E339-S384 WeakPolarHBondContact CA-OG 3.49Å; E339-S384 PolarHBondContact O-N 2.83Å
340A44.8Very low57.7Low5 Ų541.5 Ų41.54%0.04123%0.229CC..  trans-123.4-4172.400000115.2T334 F335 F337 V342 V382T334-A340 HydrophobicContact CG2-CB 4.43Å; F335-A340 WeakPolarHBondContact O-CB 3.41Å; F337-A340 PolarHBondContact O-N 2.79Å; A340-V342 PolarHBondContact O-N 2.88Å; A340-V382 VanDerWaalsContact CA-O 3.29Å; A340-V382 WeakPolarHBondContact CA-O 3.31Å
341A46.5Very low59.6Low56 Ų5639.1 Ų39.146%0.46322%0.216SC..  trans-65.299.9177.600000109.5N343 S384A341-N343 PolarHBondContact O-N 2.85Å; A341-S384 CarbonylContact O-C 3.13Å; A341-S384 WeakPolarHBondContact O-CA 3.48Å
342V53.2Low61.6Low9 Ų932.1 Ų32.16%0.05518%0.183CC..  trans-46.3114.5155.2178.20000105I325 A340 V347 V382 F388I325-V342 HydrophobicContact CB-CG2 4.49Å; I325-V342 HydrophobicContact CG2-CG2 3.53Å; A340-V342 PolarHBondContact O-N 2.88Å; V342-V347 HydrophobicContact CG1-CB 3.79Å; V342-V347 HydrophobicContact CG1-CG1 4.35Å; V342-V382 HydrophobicContact CG2-CG1 4.23Å; V342-F388 HydrophobicContact CG1-CE2 4.01Å
343N51.7Low63.6Low46 Ų4634.6 Ų34.625%0.24620%0.197CC..  trans-38.2175.2-169.1-90.9-44.3000115.3S327 A341 E345 S384 T386S327-N343 PolarHBondContact OG-O 2.96Å; A341-N343 PolarHBondContact O-N 2.85Å; N343-E345 HydrophobicContact CB-CB 4.16Å; N343-E345 HydrophobicContact CB-CG 4.08Å; N343-E345 PolarHBondContact O-N 2.97Å; N343-E345 VanDerWaalsContact O-O 3.04Å; N343-S384 PolarHBondContact OD1-O 3.19Å; N343-T386 PolarHBondContact ND2-O 2.95Å
344S64.8Low65.7Low125 Ų12536 Ų3687%0.87420%0.204SC*.SBendtrans-49.2-10.5161.354.30000114.3
345E75.5Confident67.9Low52 Ų5240.2 Ų40.224%0.24322%0.219CC..SBendtrans-68.4128.3169.3-61.8-179.4-174.200112.3S327 N343 V347 S387 F388S327-E345 WeakPolarHBondContact CB-O 3.5Å; S327-E345 PolarHBondContact OG-O 3Å; N343-E345 HydrophobicContact CB-CB 4.16Å; N343-E345 HydrophobicContact CB-CG 4.08Å; N343-E345 PolarHBondContact O-N 2.97Å; N343-E345 VanDerWaalsContact O-O 3.04Å; E345-V347 VanDerWaalsContact C-N 3.34Å; E345-V347 HydrophobicContact CB-CG2 4.01Å; E345-V347 PolarHBondContact O-N 3.22Å; E345-S387 PolarHBondContact OE1-OG 2.86Å; E345-F388 PolarHBondContact OE2-N 3.17Å; E345-F388 VanDerWaalsContact OE2-N 3.12Å
346P83.9Confident70.2Confident34 Ų3442.4 Ų42.422%0.22123%0.227CC..  trans-74.781179.232.5-37000111N361 R362 D363P346-N361 CarbonylContact O-C 3.6Å; P346-N361 WeakPolarHBondContact O-CA 3.29Å; P346-R362 HydrophobicContact CB-CB 4.09Å; P346-R362 VanDerWaalsContact O-CB 3.31Å; P346-R362 WeakPolarHBondContact O-CB 3.28Å; P346-R362 PolarHBondContact O-N 2.86Å; P346-D363 WeakPolarHBondContact CB-OD2 3.48Å; P346-D363 WeakPolarHBondContact CG-OD2 3.15Å
347V88.7Confident73Confident4 Ų441.7 Ų41.72%0.02422%0.222CC..EExtended strand (participates in β ladder)trans-120.9146-175.3177.60000112.3S327 V342 E345 V349 I359 Y360 L368 F388S327-V347 WeakPolarHBondContact CB-O 3.31Å; S327-V347 PolarHBondContact N-O 3.06Å; V342-V347 HydrophobicContact CG1-CB 3.79Å; V342-V347 HydrophobicContact CG1-CG1 4.35Å; E345-V347 VanDerWaalsContact C-N 3.34Å; E345-V347 HydrophobicContact CB-CG2 4.01Å; E345-V347 PolarHBondContact O-N 3.22Å; V347-V349 HydrophobicContact CG1-CG2 4.09Å; V347-I359 HydrophobicContact CG1-CG2 3.43Å; V347-I359 VanDerWaalsContact CG1-CG2 3.43Å; V347-Y360 CarbonylContact C-O 3.58Å; V347-Y360 VanDerWaalsContact CA-O 3.31Å; V347-Y360 WeakPolarHBondContact CA-O 3.29Å; V347-Y360 WeakPolarHBondContact CG1-O 3.5Å; V347-L368 HydrophobicContact CG2-CD1 4.16Å; V347-F388 HydrophobicContact CB-CD2 4.31Å; V347-F388 HydrophobicContact CG1-CD2 4.01Å; V347-F388 HydrophobicContact CG1-CE2 4.34Å; V347-F388 HydrophobicContact CG1-CG 4.25Å; V347-F388 HydrophobicContact CG2-CB 4.38Å; V347-F388 HydrophobicContact CG2-CD2 4.22Å
348I90.9Very high75.9Confident0 Ų039.4 Ų39.40%021%0.212CC..EExtended strand (participates in β ladder)trans-117.8127.4168.9-61.2165.5000107.7V264 L272 V274 L314 I325 C326 I359 Y360 R362V264-I348 HydrophobicContact CG1-CD1 4.12Å; V264-I348 HydrophobicContact CG1-CG2 3.95Å; V264-I348 HydrophobicContact CG2-CD1 3.66Å; V264-I348 HydrophobicContact CG2-CG1 4.13Å; L272-I348 HydrophobicContact CD2-CG2 4.47Å; V274-I348 HydrophobicContact CG2-CD1 3.79Å; L314-I348 HydrophobicContact CD1-CD1 3.7Å; I325-I348 WeakPolarHBondContact O-CA 3.3Å; C326-I348 HydrophobicContact CB-CG1 4.42Å; I348-I359 CarbonylContact O-C 3.53Å; I348-I359 WeakPolarHBondContact O-CA 3.33Å; I348-Y360 PolarHBondContact N-O 2.86Å; I348-Y360 PolarHBondContact O-N 3.5Å; I348-R362 HydrophobicContact CD1-CB 4.08Å; I348-R362 HydrophobicContact CD1-CG 3.98Å; I348-R362 HydrophobicContact CG1-CB 3.89Å; I348-R362 HydrophobicContact CG1-CG 3.97Å
349V92.5Very high78.8Confident0 Ų032.5 Ų32.50%018%0.178CC..EExtended strand (participates in β ladder)trans-111.7129.9172.7-172.40000108.1L324 I325 V347 L357 R358 I359 F380 F388L324-V349 CarbonylContact C-O 3.33Å; L324-V349 WeakPolarHBondContact CA-O 3.45Å; I325-V349 PolarHBondContact N-O 3.4Å; I325-V349 PolarHBondContact O-N 2.87Å; V347-V349 HydrophobicContact CG1-CG2 4.09Å; V349-L357 HydrophobicContact CG1-CD1 3.73Å; V349-L357 HydrophobicContact CG1-CD2 4.1Å; V349-L357 HydrophobicContact CG1-CG 3.88Å; V349-R358 CarbonylContact C-O 3.52Å; V349-R358 WeakPolarHBondContact CA-O 3.43Å; V349-I359 HydrophobicContact CG1-CG1 4.31Å; V349-I359 HydrophobicContact CG2-CG1 4.26Å; V349-F380 HydrophobicContact CB-CE2 3.9Å; V349-F380 HydrophobicContact CB-CZ 3.96Å; V349-F380 HydrophobicContact CG1-CD2 4.38Å; V349-F380 HydrophobicContact CG1-CE2 3.44Å; V349-F380 VanDerWaalsContact CG1-CE2 3.44Å; V349-F380 HydrophobicContact CG1-CZ 3.59Å; V349-F388 HydrophobicContact CG2-CE1 4.17Å; V349-F388 HydrophobicContact CG2-CE2 4.46Å; V349-F388 HydrophobicContact CG2-CZ 3.84Å
350A94Very high81.5Confident0 Ų030.1 Ų30.10%017%0.167CC..EExtended strand (participates in β ladder)trans-133135.8179.300000110.6L272 R358L272-A350 HydrophobicContact CD1-CB 4.31Å; L272-A350 HydrophobicContact CD2-CB 3.71Å; A350-R358 PolarHBondContact N-O 2.84Å; A350-R358 PolarHBondContact O-N 2.91Å
351S94.1Very high83.6Confident0 Ų031.7 Ų31.70%017%0.174CC..EExtended strand (participates in β ladder)trans-107.6149.1171640000110.7I321 T322 Q323 F380I321-S351 WeakPolarHBondContact CA-O 3.5Å; T322-S351 PolarHBondContact N-O 3.16Å; T322-S351 PolarHBondContact OG1-O 3.13Å; T322-S351 PolarHBondContact OG1-OG 3.24Å; Q323-S351 WeakPolarHBondContact CB-OG 3.21Å; Q323-S351 PolarHBondContact N-OG 2.89Å; Q323-S351 VanDerWaalsContact N-OG 3.15Å; Q323-S351 PolarHBondContact O-N 2.62Å; Q323-S351 PolarHBondContact O-OG 3.39Å; S351-F380 VanDerWaalsContact OG-CD1 3.3Å; S351-F380 WeakPolarHBondContact OG-CD1 3.43Å; S351-F380 WeakPolarHBondContact OG-CE1 3.16Å
352S92.8Very high85.4Confident0 Ų029.7 Ų29.70%016%0.155CC..EExtended strand (participates in β ladder)trans-131.8154.4-179.4-73.20000110.5S318 C320 I321 D354 R355 Y356 R358S318-S352 VanDerWaalsContact O-CB 3.27Å; S318-S352 WeakPolarHBondContact O-CB 3.49Å; S318-S352 PolarHBondContact O-OG 3.29Å; S318-S352 VanDerWaalsContact O-OG 3.06Å; C320-S352 WeakPolarHBondContact O-CA 3.34Å; I321-S352 WeakPolarHBondContact CD1-OG 3.4Å; S352-D354 WeakPolarHBondContact CB-OD1 3.43Å; S352-D354 PolarHBondContact O-N 2.96Å; S352-D354 VanDerWaalsContact O-N 3.09Å; S352-R355 PolarHBondContact O-N 2.98Å; S352-Y356 PolarHBondContact N-O 2.85Å; S352-R358 PolarHBondContact OG-NH1 2.92Å
353L91.5Very high86.9Confident85 Ų8531.9 Ų31.945%0.44517%0.166SC..THydrogen-bonded Turntrans-60.2-16.7171.3-72.4-178.3000113.3C320 T322 R355C320-L353 HydrophobicContact CB-CB 4.46Å; C320-L353 HydrophobicContact CB-CD1 3.67Å; C320-L353 HydrophobicContact CB-CG 4.03Å; C320-L353 PolarHBondContact O-N 2.97Å; T322-L353 HydrophobicContact CG2-CB 4.49Å; T322-L353 HydrophobicContact CG2-CD2 3.43Å; T322-L353 VanDerWaalsContact CG2-CD2 3.43Å; T322-L353 HydrophobicContact CG2-CG 3.54Å; L353-R355 PolarHBondContact O-N 2.89Å; L353-R355 VanDerWaalsContact O-N 3.11Å
354D92.1Very high88.5Confident39 Ų3934 Ų3421%0.20918%0.181CC..THydrogen-bonded Turntrans-75.713.7175.978.4-14.8000114.3S318 S352 Y356 R358S318-D354 VanDerWaalsContact O-CG 3.23Å; S318-D354 VanDerWaalsContact O-OD2 3.1Å; S352-D354 WeakPolarHBondContact CB-OD1 3.43Å; S352-D354 PolarHBondContact O-N 2.96Å; S352-D354 VanDerWaalsContact O-N 3.09Å; D354-Y356 VanDerWaalsContact C-N 3.29Å; D354-Y356 HydrophobicContact CB-CD2 4.48Å; D354-Y356 WeakPolarHBondContact O-CD2 3.48Å; D354-Y356 PolarHBondContact O-N 3.36Å; D354-Y356 PolarHBondContact OD1-N 2.76Å; D354-R358 IonicContact OD1-CZ 3.22Å; D354-R358 IonicContact OD1-NH1 2.81Å; D354-R358 PolarHBondContact OD1-NH1 2.81Å; D354-R358 IonicContact OD1-NH2 2.59Å; D354-R358 IonicContact OD2-CZ 3.7Å; D354-R358 IonicContact OD2-NH1 2.83Å; D354-R358 PolarHBondContact OD2-NH1 2.81Å; D354-R358 IonicContact OD2-NH2 2.84Å; D354-R358 PolarHBondContact OD2-NH2 3.31Å
355R91.9Very high89.5Confident108 Ų10828.8 Ų28.841%0.40815%0.147SC..SBendtrans69.520.9173.2-45178.6-78.9-175.4-4.2114.4S352 L353 Y372 V373 K374 V375 P376S352-R355 PolarHBondContact O-N 2.98Å; L353-R355 PolarHBondContact O-N 2.89Å; L353-R355 VanDerWaalsContact O-N 3.11Å; R355-Y372 HydrophobicContact CB-CD2 4.28Å; R355-Y372 HydrophobicContact CB-CE2 3.83Å; R355-Y372 PolarHBondContact NE-OH 2.85Å; R355-Y372 PolarHBondContact NH1-OH 2.83Å; R355-Y372 PolarHBondContact NH2-OH 3.17Å; R355-V373 PolarHBondContact O-N 2.88Å; R355-K374 VanDerWaalsContact CD-O 3.31Å; R355-K374 WeakPolarHBondContact CD-O 3.35Å; R355-V375 WeakPolarHBondContact CB-O 3.43Å; R355-P376 HydrophobicContact CG-CB 4.34Å
356Y93Very high90.1Very high65 Ų6532.6 Ų32.626%0.25516%0.162SC..EExtended strand (participates in β ladder)trans-114.6139.8175.9-68.9-81.9000112.3S352 D354 K370 I371 Y372S352-Y356 PolarHBondContact N-O 2.85Å; D354-Y356 VanDerWaalsContact C-N 3.29Å; D354-Y356 HydrophobicContact CB-CD2 4.48Å; D354-Y356 WeakPolarHBondContact O-CD2 3.48Å; D354-Y356 PolarHBondContact O-N 3.36Å; D354-Y356 PolarHBondContact OD1-N 2.76Å; Y356-K370 HydrophobicContact CD1-CD 4Å; Y356-K370 HydrophobicContact CD1-CG 3.72Å; Y356-K370 HydrophobicContact CE1-CD 4.16Å; Y356-K370 HydrophobicContact CE1-CG 4.29Å; Y356-K370 HydrophobicContact CG-CD 4.48Å; Y356-K370 VanDerWaalsContact CG-CE 3.45Å; Y356-K370 HydrophobicContact CG-CG 4.25Å; Y356-I371 CarbonylContact C-O 3.53Å; Y356-I371 VanDerWaalsContact CA-O 3.27Å; Y356-I371 WeakPolarHBondContact CA-O 3.29Å; Y356-I371 WeakPolarHBondContact CD1-O 3.4Å; Y356-Y372 AromaticContact CD1-CD2 3.91Å; Y356-Y372 HydrophobicContact CD1-CD2 3.91Å; Y356-Y372 HydrophobicContact CD1-CG 4.38Å; Y356-Y372 HydrophobicContact CD2-CD2 4.36Å; Y356-Y372 AromaticContact CE1-CD2 3.48Å; Y356-Y372 HydrophobicContact CE1-CD2 3.48Å; Y356-Y372 VanDerWaalsContact CE1-CD2 3.48Å; Y356-Y372 AromaticContact CE1-CG 3.87Å; Y356-Y372 HydrophobicContact CE1-CG 3.87Å; Y356-Y372 AromaticContact CE2-CD2 3.94Å; Y356-Y372 HydrophobicContact CE2-CD2 3.94Å; Y356-Y372 HydrophobicContact CE2-CE2 4.36Å; Y356-Y372 HydrophobicContact CG-CD2 4.35Å; Y356-Y372 AromaticContact CZ-CD2 3.46Å; Y356-Y372 VanDerWaalsContact CZ-CD2 3.46Å
357L93.1Very high90.4Very high0 Ų036.1 Ų36.10%017%0.171CC..EExtended strand (participates in β ladder)trans-97.3129162.8-165.374.4000108.5I13 I25 V349 I359 K370 I371 V373 F380I13-L357 HydrophobicContact CD1-CD2 3.57Å; I13-L357 HydrophobicContact CG2-CD2 4.26Å; I25-L357 HydrophobicContact CD1-CD2 4.17Å; V349-L357 HydrophobicContact CG1-CD1 3.73Å; V349-L357 HydrophobicContact CG1-CD2 4.1Å; V349-L357 HydrophobicContact CG1-CG 3.88Å; L357-I359 HydrophobicContact CD2-CD1 4.26Å; L357-I359 HydrophobicContact CG-CD1 4.22Å; L357-K370 CarbonylContact O-C 3.57Å; L357-K370 WeakPolarHBondContact O-CA 3.43Å; L357-I371 HydrophobicContact CB-CB 4.38Å; L357-I371 PolarHBondContact N-O 2.88Å; L357-I371 PolarHBondContact O-N 2.77Å; L357-V373 HydrophobicContact CB-CG2 4.26Å; L357-F380 HydrophobicContact CD1-CD1 4.04Å; L357-F380 HydrophobicContact CD1-CD2 4.27Å; L357-F380 HydrophobicContact CD1-CE1 4.07Å; L357-F380 HydrophobicContact CD1-CE2 4.3Å; L357-F380 HydrophobicContact CD1-CG 4.16Å; L357-F380 HydrophobicContact CD1-CZ 4.22Å
358R92.3Very high90.5Very high4 Ų437.7 Ų37.72%0.01518%0.179CC..EExtended strand (participates in β ladder)trans-120.7133.9-176.8-64.5172.5171.188.3-4.1109.8G316 V349 A350 S352 D354 Y360 K370G316-R358 PolarHBondContact O-NE 2.79Å; G316-R358 PolarHBondContact O-NH2 3.27Å; V349-R358 CarbonylContact C-O 3.52Å; V349-R358 WeakPolarHBondContact CA-O 3.43Å; A350-R358 PolarHBondContact N-O 2.84Å; A350-R358 PolarHBondContact O-N 2.91Å; S352-R358 PolarHBondContact OG-NH1 2.92Å; D354-R358 IonicContact OD1-CZ 3.22Å; D354-R358 IonicContact OD1-NH1 2.81Å; D354-R358 PolarHBondContact OD1-NH1 2.81Å; D354-R358 IonicContact OD1-NH2 2.59Å; D354-R358 IonicContact OD2-CZ 3.7Å; D354-R358 IonicContact OD2-NH1 2.83Å; D354-R358 PolarHBondContact OD2-NH1 2.81Å; D354-R358 IonicContact OD2-NH2 2.84Å; D354-R358 PolarHBondContact OD2-NH2 3.31Å; R358-Y360 HydrophobicContact CB-CD2 4.31Å; R358-Y360 HydrophobicContact CB-CE2 3.49Å; R358-Y360 VanDerWaalsContact CB-CE2 3.49Å; R358-K370 HydrophobicContact CG-CG 4.39Å
359I92.3Very high90.3Very high0 Ų037.7 Ų37.70%018%0.18CC..EExtended strand (participates in β ladder)trans-119.4130.2-178.2-59.981.5000107.8V347 I348 V349 L357 R367 L368 G369 I371 F388 I391V347-I359 HydrophobicContact CG1-CG2 3.43Å; V347-I359 VanDerWaalsContact CG1-CG2 3.43Å; I348-I359 CarbonylContact O-C 3.53Å; I348-I359 WeakPolarHBondContact O-CA 3.33Å; V349-I359 HydrophobicContact CG1-CG1 4.31Å; V349-I359 HydrophobicContact CG2-CG1 4.26Å; L357-I359 HydrophobicContact CD2-CD1 4.26Å; L357-I359 HydrophobicContact CG-CD1 4.22Å; I359-R367 CarbonylContact O-C 3.59Å; I359-R367 WeakPolarHBondContact O-CG 3.17Å; I359-L368 HydrophobicContact CG2-CB 4.18Å; I359-L368 HydrophobicContact CG2-CD1 4.2Å; I359-L368 PolarHBondContact O-N 2.91Å; I359-G369 PolarHBondContact N-O 2.84Å; I359-G369 PolarHBondContact O-N 3.45Å; I359-G369 VanDerWaalsContact O-N 3.17Å; I359-I371 HydrophobicContact CD1-CD1 4.16Å; I359-I371 HydrophobicContact CD1-CG1 4.46Å; I359-F388 HydrophobicContact CG1-CD1 4.35Å; I359-F388 HydrophobicContact CG1-CE1 4.32Å; I359-F388 HydrophobicContact CG2-CD1 4.09Å; I359-F388 HydrophobicContact CG2-CG 4.37Å; I359-I391 HydrophobicContact CB-CD1 3.64Å; I359-I391 HydrophobicContact CD1-CD1 3.3Å; I359-I391 HydrophobicContact CG1-CD1 3.3Å; I359-I391 HydrophobicContact CG2-CD1 3.98Å
360Y91.2Very high90.2Very high0 Ų040.6 Ų40.60%019%0.192CC..EExtended strand (participates in β ladder)trans-128147.9-177.9-61.8-94.4000110L272 L314 A315 A317 V347 I348 R358 R362 K366 R367L272-Y360 HydrophobicContact CD2-CD2 3.95Å; L272-Y360 HydrophobicContact CD2-CE2 3.61Å; L314-Y360 HydrophobicContact CB-CD1 3.97Å; L314-Y360 HydrophobicContact CB-CE1 3.83Å; L314-Y360 HydrophobicContact CB-CG 4.47Å; L314-Y360 HydrophobicContact CD1-CD1 4.34Å; L314-Y360 HydrophobicContact CD1-CD2 4.35Å; L314-Y360 HydrophobicContact CD1-CG 4.08Å; A315-Y360 VanDerWaalsContact O-CE1 3.23Å; A315-Y360 WeakPolarHBondContact O-CE1 3.28Å; A315-Y360 PolarHBondContact O-OH 2.66Å; A317-Y360 PolarHBondContact N-OH 2.84Å; V347-Y360 CarbonylContact C-O 3.58Å; V347-Y360 VanDerWaalsContact CA-O 3.31Å; V347-Y360 WeakPolarHBondContact CA-O 3.29Å; V347-Y360 WeakPolarHBondContact CG1-O 3.5Å; I348-Y360 PolarHBondContact N-O 2.86Å; I348-Y360 PolarHBondContact O-N 3.5Å; R358-Y360 HydrophobicContact CB-CD2 4.31Å; R358-Y360 HydrophobicContact CB-CE2 3.49Å; R358-Y360 VanDerWaalsContact CB-CE2 3.49Å; Y360-R362 PolarHBondContact O-N 3.4Å; Y360-K366 CarbonylContact C-O 3.01Å; Y360-K366 WeakPolarHBondContact CA-O 3.32Å; Y360-R367 HydrophobicContact CD1-CB 3.77Å; Y360-R367 HydrophobicContact CD1-CG 4.15Å; Y360-R367 HydrophobicContact CE1-CB 3.63Å; Y360-R367 HydrophobicContact CE1-CG 3.84Å
361N88.9Confident90.1Very high38 Ų3840.7 Ų40.720%0.20319%0.193CC..EExtended strand (participates in β ladder)trans-75.8122.3162.2-179.8-50.7000108.1P346 D363 T364 G365 K366 L368P346-N361 CarbonylContact O-C 3.6Å; P346-N361 WeakPolarHBondContact O-CA 3.29Å; N361-D363 VanDerWaalsContact C-N 3.34Å; N361-D363 PolarHBondContact O-N 2.81Å; N361-D363 PolarHBondContact OD1-N 2.76Å; N361-T364 VanDerWaalsContact CB-OG1 3.29Å; N361-T364 WeakPolarHBondContact CB-OG1 3.26Å; N361-T364 VanDerWaalsContact CG-OG1 3.23Å; N361-T364 PolarHBondContact OD1-N 3.27Å; N361-T364 PolarHBondContact OD1-OG1 2.77Å; N361-G365 WeakPolarHBondContact O-CA 2.94Å; N361-G365 PolarHBondContact O-N 3.15Å; N361-K366 PolarHBondContact N-O 3.26Å; N361-L368 HydrophobicContact CB-CD1 4.14Å; N361-L368 HydrophobicContact CB-CD2 4.08Å; N361-L368 HydrophobicContact CB-CG 4.12Å
362R85.3Confident90Very high15 Ų1544.2 Ų44.26%0.05721%0.207CC..THydrogen-bonded Turntrans-60.4-41.9-177-174.5-17168.2-171.6-5.4112.1Y253 N255 R312 C326 S327 P346 I348 Y360Y253-R362 HydrophobicContact CE2-CG 3.93Å; N255-R362 PolarHBondContact O-NH1 2.89Å; N255-R362 PolarHBondContact O-NH2 3.35Å; R312-R362 PolarHBondContact NH1-O 3.22Å; C326-R362 VanDerWaalsContact SG-CD 3.59Å; S327-R362 VanDerWaalsContact C-NH1 3.26Å; S327-R362 WeakPolarHBondContact O-CD 3.46Å; S327-R362 PolarHBondContact O-NH1 2.97Å; P346-R362 HydrophobicContact CB-CB 4.09Å; P346-R362 VanDerWaalsContact O-CB 3.31Å; P346-R362 WeakPolarHBondContact O-CB 3.28Å; P346-R362 PolarHBondContact O-N 2.86Å; I348-R362 HydrophobicContact CD1-CB 4.08Å; I348-R362 HydrophobicContact CD1-CG 3.98Å; I348-R362 HydrophobicContact CG1-CB 3.89Å; I348-R362 HydrophobicContact CG1-CG 3.97Å; Y360-R362 PolarHBondContact O-N 3.4Å
363D84.2Confident89.9Confident55 Ų5544.2 Ų44.229%0.29421%0.207SC..THydrogen-bonded Turntrans-84.8-40.4-170-61.4-16000111.7R312 P346 N361R312-D363 PolarHBondContact NH1-O 2.86Å; R312-D363 PolarHBondContact NH2-O 3.42Å; P346-D363 WeakPolarHBondContact CB-OD2 3.48Å; P346-D363 WeakPolarHBondContact CG-OD2 3.15Å; N361-D363 VanDerWaalsContact C-N 3.34Å; N361-D363 PolarHBondContact O-N 2.81Å; N361-D363 PolarHBondContact OD1-N 2.76Å
364T85.5Confident89.8Confident90 Ų9043.9 Ų43.955%0.55220%0.202SC*.THydrogen-bonded Turntrans-85.8-25.8177.566.90000113N361 K366N361-T364 VanDerWaalsContact CB-OG1 3.29Å; N361-T364 WeakPolarHBondContact CB-OG1 3.26Å; N361-T364 VanDerWaalsContact CG-OG1 3.23Å; N361-T364 PolarHBondContact OD1-N 3.27Å; N361-T364 PolarHBondContact OD1-OG1 2.77Å; T364-K366 PolarHBondContact O-N 2.72Å; T364-K366 PolarHBondContact OG1-N 2.98Å
365G86.1Confident89.8Confident15 Ų1542.3 Ų42.316%0.15519%0.193CC..  trans74.44-171.800000114.5N361N361-G365 WeakPolarHBondContact O-CA 2.94Å; N361-G365 PolarHBondContact O-N 3.15Å
366K88.8Confident89.8Confident132 Ų13238.6 Ų38.657%0.57418%0.184SC*.  trans-72134.2176.9-171.7-174.2175.2-165.10109.8Y360 N361 T364 L368Y360-K366 CarbonylContact C-O 3.01Å; Y360-K366 WeakPolarHBondContact CA-O 3.32Å; N361-K366 PolarHBondContact N-O 3.26Å; T364-K366 PolarHBondContact O-N 2.72Å; T364-K366 PolarHBondContact OG1-N 2.98Å; K366-L368 PolarHBondContact O-N 2.96Å
367R90.4Very high89.9Confident108 Ų10835.5 Ų35.541%0.40817%0.171SC..EExtended strand (participates in β ladder)trans-68.9120.3169.7-170.2179.868.3-166.91.4109.2I359 Y360I359-R367 CarbonylContact O-C 3.59Å; I359-R367 WeakPolarHBondContact O-CG 3.17Å; Y360-R367 HydrophobicContact CD1-CB 3.77Å; Y360-R367 HydrophobicContact CD1-CG 4.15Å; Y360-R367 HydrophobicContact CE1-CB 3.63Å; Y360-R367 HydrophobicContact CE1-CG 3.84Å
368L89.3Confident89.9Confident37 Ų3736.6 Ų36.619%0.19418%0.178CC..EExtended strand (participates in β ladder)trans-83-40.1176.6-61.3177.7000111.2V347 I359 N361 K366 I391V347-L368 HydrophobicContact CG2-CD1 4.16Å; I359-L368 HydrophobicContact CG2-CB 4.18Å; I359-L368 HydrophobicContact CG2-CD1 4.2Å; I359-L368 PolarHBondContact O-N 2.91Å; N361-L368 HydrophobicContact CB-CD1 4.14Å; N361-L368 HydrophobicContact CB-CD2 4.08Å; N361-L368 HydrophobicContact CB-CG 4.12Å; K366-L368 PolarHBondContact O-N 2.96Å; L368-I391 HydrophobicContact CB-CG2 3.76Å
369G88.3Confident89.9Confident1 Ų136.4 Ų36.41%0.0118%0.177CC..EExtended strand (participates in β ladder)trans-157.6160-176.500000113.6I359I359-G369 PolarHBondContact N-O 2.84Å; I359-G369 PolarHBondContact O-N 3.45Å; I359-G369 VanDerWaalsContact O-N 3.17Å
370K89.9Confident90Very high60 Ų6036.4 Ų36.426%0.26118%0.177SC..EExtended strand (participates in β ladder)trans-139.9119.7174-177.4-169.9-176.3-152.30107.2Y356 L357 R358 L395Y356-K370 HydrophobicContact CD1-CD 4Å; Y356-K370 HydrophobicContact CD1-CG 3.72Å; Y356-K370 HydrophobicContact CE1-CD 4.16Å; Y356-K370 HydrophobicContact CE1-CG 4.29Å; Y356-K370 HydrophobicContact CG-CD 4.48Å; Y356-K370 VanDerWaalsContact CG-CE 3.45Å; Y356-K370 HydrophobicContact CG-CG 4.25Å; L357-K370 CarbonylContact O-C 3.57Å; L357-K370 WeakPolarHBondContact O-CA 3.43Å; R358-K370 HydrophobicContact CG-CG 4.39Å; K370-L395 HydrophobicContact CB-CD2 4.46Å
371I91.1Very high89.9Confident3 Ų336.5 Ų36.52%0.01518%0.178CC..EExtended strand (participates in β ladder)trans-116.6126.2-176.6-56.9173000108.4I25 Y356 L357 I359 I391 F394I25-I371 HydrophobicContact CD1-CD1 4.5Å; I25-I371 HydrophobicContact CD1-CG2 4.14Å; Y356-I371 CarbonylContact C-O 3.53Å; Y356-I371 VanDerWaalsContact CA-O 3.27Å; Y356-I371 WeakPolarHBondContact CA-O 3.29Å; Y356-I371 WeakPolarHBondContact CD1-O 3.4Å; L357-I371 HydrophobicContact CB-CB 4.38Å; L357-I371 PolarHBondContact N-O 2.88Å; L357-I371 PolarHBondContact O-N 2.77Å; I359-I371 HydrophobicContact CD1-CD1 4.16Å; I359-I371 HydrophobicContact CD1-CG1 4.46Å; I371-I391 HydrophobicContact CD1-CD1 4.3Å; I371-I391 HydrophobicContact CD1-CG1 4.47Å; I371-F394 HydrophobicContact CD1-CD2 4.12Å; I371-F394 HydrophobicContact CD1-CE2 4.31Å; I371-F394 HydrophobicContact CD1-CG 4.23Å; I371-F394 HydrophobicContact CG1-CB 4.46Å; I371-F394 HydrophobicContact CG1-CD1 4.24Å; I371-F394 HydrophobicContact CG1-CG 4.2Å; I371-F394 HydrophobicContact CG2-CD1 4.26Å; I371-F394 HydrophobicContact CG2-CE1 4.05Å
372Y92.1Very high89.9Confident73 Ų7334.7 Ų34.729%0.28617%0.168SC..EExtended strand (participates in β ladder)trans-84.2120.5173.2-174.3-120.5000110.7R355 Y356 K374R355-Y372 HydrophobicContact CB-CD2 4.28Å; R355-Y372 HydrophobicContact CB-CE2 3.83Å; R355-Y372 PolarHBondContact NE-OH 2.85Å; R355-Y372 PolarHBondContact NH1-OH 2.83Å; R355-Y372 PolarHBondContact NH2-OH 3.17Å; Y356-Y372 AromaticContact CD1-CD2 3.91Å; Y356-Y372 HydrophobicContact CD1-CD2 3.91Å; Y356-Y372 HydrophobicContact CD1-CG 4.38Å; Y356-Y372 HydrophobicContact CD2-CD2 4.36Å; Y356-Y372 AromaticContact CE1-CD2 3.48Å; Y356-Y372 HydrophobicContact CE1-CD2 3.48Å; Y356-Y372 VanDerWaalsContact CE1-CD2 3.48Å; Y356-Y372 AromaticContact CE1-CG 3.87Å; Y356-Y372 HydrophobicContact CE1-CG 3.87Å; Y356-Y372 AromaticContact CE2-CD2 3.94Å; Y356-Y372 HydrophobicContact CE2-CD2 3.94Å; Y356-Y372 HydrophobicContact CE2-CE2 4.36Å; Y356-Y372 HydrophobicContact CG-CD2 4.35Å; Y356-Y372 AromaticContact CZ-CD2 3.46Å; Y356-Y372 VanDerWaalsContact CZ-CD2 3.46Å; Y372-K374 HydrophobicContact CD1-CG 3.94Å; Y372-K374 HydrophobicContact CE1-CB 4.15Å; Y372-K374 HydrophobicContact CE1-CG 3.78Å
373V91.9Very high89.9Confident0 Ų035.2 Ų35.20%017%0.17CC..  trans-94.5-8.5-173.5179.70000112.4L15 K23 I25 R355 L357 V375 V377L15-V373 HydrophobicContact CD1-CB 4.2Å; L15-V373 HydrophobicContact CD1-CG1 3.32Å; L15-V373 HydrophobicContact CD1-CG2 3.74Å; K23-V373 HydrophobicContact CD-CG1 4.48Å; I25-V373 HydrophobicContact CD1-CG2 4.5Å; R355-V373 PolarHBondContact O-N 2.88Å; L357-V373 HydrophobicContact CB-CG2 4.26Å; V373-V375 HydrophobicContact CG1-CG2 3.9Å; V373-V375 PolarHBondContact O-N 2.87Å; V373-V377 HydrophobicContact CB-CG2 4.01Å; V373-V377 HydrophobicContact CG1-CG2 3.78Å; V373-V377 HydrophobicContact CG2-CG2 4.09Å
374K89.2Confident89.4Confident78 Ų7833.8 Ų33.834%0.33917%0.165SC..SBendtrans69.4-26.8-175.8-46.4178-176.5176.30115.4L32 R355 Y372 E419L32-K374 HydrophobicContact CD2-CD 4.49Å; L32-K374 HydrophobicContact CD2-CG 4.42Å; R355-K374 VanDerWaalsContact CD-O 3.31Å; R355-K374 WeakPolarHBondContact CD-O 3.35Å; Y372-K374 HydrophobicContact CD1-CG 3.94Å; Y372-K374 HydrophobicContact CE1-CB 4.15Å; Y372-K374 HydrophobicContact CE1-CG 3.78Å; K374-E419 IonicContact NZ-OE1 3.22Å; K374-E419 PolarHBondContact NZ-OE1 2.76Å
375V91.5Very high88.9Confident6 Ų632.9 Ų32.94%0.03616%0.156CC..SBendtrans-115.8150.5176.5-65.10000111.9F21 K23 R355 V373 V377 L426F21-V375 HydrophobicContact CB-CG1 4.39Å; F21-V375 HydrophobicContact CD2-CG1 4.1Å; F21-V375 HydrophobicContact CG-CG1 4.2Å; K23-V375 HydrophobicContact CD-CG2 4.07Å; R355-V375 WeakPolarHBondContact CB-O 3.43Å; V373-V375 HydrophobicContact CG1-CG2 3.9Å; V373-V375 PolarHBondContact O-N 2.87Å; V375-V377 PolarHBondContact O-N 2.82Å; V375-L426 HydrophobicContact CG1-CD1 4.43Å
376P92.6Very high88.5Confident31 Ų3132.2 Ų32.220%0.20115%0.149CC..  trans-68.6119.6177.226.9-33.3000110S17 R355S17-P376 VanDerWaalsContact CA-O 3.25Å; S17-P376 WeakPolarHBondContact CA-O 3.14Å; S17-P376 WeakPolarHBondContact CB-O 3.16Å; R355-P376 HydrophobicContact CG-CB 4.34Å
377V94.2Very high88.1Confident0 Ų028.1 Ų28.10%014%0.137CC..EExtended strand (participates in β ladder)trans-85.1120.8-176.6-179.60000109.2L15 G16 T322 V373 V375 S379 F380L15-V377 HydrophobicContact CD2-CG1 4.35Å; G16-V377 WeakPolarHBondContact O-CA 3.5Å; T322-V377 VanDerWaalsContact CB-O 3.26Å; T322-V377 WeakPolarHBondContact CB-O 3.1Å; T322-V377 VanDerWaalsContact CG2-O 3.23Å; T322-V377 WeakPolarHBondContact CG2-O 3.38Å; T322-V377 PolarHBondContact OG1-O 3.32Å; V373-V377 HydrophobicContact CB-CG2 4.01Å; V373-V377 HydrophobicContact CG1-CG2 3.78Å; V373-V377 HydrophobicContact CG2-CG2 4.09Å; V375-V377 PolarHBondContact O-N 2.82Å; V377-S379 WeakPolarHBondContact CG1-O 3.47Å; V377-F380 HydrophobicContact CG1-CB 4.31Å; V377-F380 HydrophobicContact CG1-CD1 4.44Å
378T93.3Very high87.7Confident22 Ų2223.2 Ų23.214%0.13512%0.119CC..EExtended strand (participates in β ladder)trans-93-39.7175.347.70000111.6G16 V43 T322G16-T378 PolarHBondContact O-N 2.78Å; G16-T378 PolarHBondContact O-OG1 2.99Å; V43-T378 WeakPolarHBondContact O-CB 3.34Å; V43-T378 PolarHBondContact O-OG1 3.13Å; T322-T378 WeakPolarHBondContact CB-O 3.5Å
379S92Very high87Confident1 Ų124.7 Ų24.71%0.00714%0.137CC..EExtended strand (participates in β ladder)trans-146.2153.9178.4-1630000110G16 V377G16-S379 PolarHBondContact N-O 2.79Å; V377-S379 WeakPolarHBondContact CG1-O 3.47Å
380F93.8Very high86Confident0 Ų029.4 Ų29.40%016%0.161CC..EExtended strand (participates in β ladder)trans-148.3158.717369.5-87.1000111.2I13 V14 L15 Q323 I325 V349 S351 L357 V377 V382I13-F380 HydrophobicContact CG2-CB 4.46Å; I13-F380 HydrophobicContact CG2-CD2 4.26Å; V14-F380 CarbonylContact O-C 3.56Å; V14-F380 VanDerWaalsContact O-CA 3.23Å; V14-F380 WeakPolarHBondContact O-CA 3.43Å; V14-F380 WeakPolarHBondContact O-CB 3.26Å; L15-F380 HydrophobicContact CD2-CB 3.41Å; L15-F380 VanDerWaalsContact CD2-CB 3.41Å; L15-F380 HydrophobicContact CD2-CG 4.31Å; Q323-F380 HydrophobicContact CB-CD1 3.72Å; Q323-F380 HydrophobicContact CB-CE1 3.61Å; Q323-F380 HydrophobicContact CG-CD1 3.91Å; Q323-F380 HydrophobicContact CG-CE1 3.77Å; Q323-F380 HydrophobicContact CG-CZ 4.44Å; I325-F380 HydrophobicContact CB-CE2 4.38Å; I325-F380 HydrophobicContact CB-CZ 4.41Å; I325-F380 HydrophobicContact CD1-CD2 4.01Å; I325-F380 HydrophobicContact CD1-CE2 3.49Å; I325-F380 VanDerWaalsContact CD1-CE2 3.49Å; I325-F380 HydrophobicContact CD1-CZ 4.08Å; I325-F380 HydrophobicContact CG1-CE2 3.8Å; I325-F380 HydrophobicContact CG1-CZ 3.87Å; V349-F380 HydrophobicContact CB-CE2 3.9Å; V349-F380 HydrophobicContact CB-CZ 3.96Å; V349-F380 HydrophobicContact CG1-CD2 4.38Å; V349-F380 HydrophobicContact CG1-CE2 3.44Å; V349-F380 VanDerWaalsContact CG1-CE2 3.44Å; V349-F380 HydrophobicContact CG1-CZ 3.59Å; S351-F380 VanDerWaalsContact OG-CD1 3.3Å; S351-F380 WeakPolarHBondContact OG-CD1 3.43Å; S351-F380 WeakPolarHBondContact OG-CE1 3.16Å; L357-F380 HydrophobicContact CD1-CD1 4.04Å; L357-F380 HydrophobicContact CD1-CD2 4.27Å; L357-F380 HydrophobicContact CD1-CE1 4.07Å; L357-F380 HydrophobicContact CD1-CE2 4.3Å; L357-F380 HydrophobicContact CD1-CG 4.16Å; L357-F380 HydrophobicContact CD1-CZ 4.22Å; V377-F380 HydrophobicContact CG1-CB 4.31Å; V377-F380 HydrophobicContact CG1-CD1 4.44Å; F380-V382 HydrophobicContact CD2-CG2 3.91Å; F380-V382 HydrophobicContact CE2-CG2 3.78Å
381L90.2Very high85.3Confident1 Ų126.6 Ų26.61%0.00515%0.15CC..EExtended strand (participates in β ladder)trans-126.7144.3174.3-60.9174.7000109.3I13 V14 M46 W48 V53 F335I13-L381 CarbonylContact C-O 3.54Å; I13-L381 VanDerWaalsContact CA-O 3.26Å; I13-L381 WeakPolarHBondContact CA-O 3.47Å; I13-L381 WeakPolarHBondContact CG2-O 3.35Å; V14-L381 PolarHBondContact N-O 2.97Å; V14-L381 PolarHBondContact O-N 3.36Å; M46-L381 HydrophobicContact CB-CD1 3.82Å; M46-L381 HydrophobicContact CB-CD2 4.26Å; M46-L381 HydrophobicContact CB-CG 3.86Å; W48-L381 HydrophobicContact CD2-CD1 4.19Å; W48-L381 HydrophobicContact CG-CD1 4.09Å; W48-L381 HydrophobicContact CZ2-CB 4.33Å; V53-L381 HydrophobicContact CG1-CD1 3.76Å; V53-L381 HydrophobicContact CG2-CD1 4.42Å; F335-L381 HydrophobicContact CB-CD2 3.94Å; F335-L381 HydrophobicContact CG-CD2 4.22Å
382V89.2Confident84.3Confident1 Ų131.5 Ų31.51%0.00617%0.172CC..EExtended strand (participates in β ladder)trans-113146.9175.7176.60000107.2D12 I13 W48 I325 E339 A340 V342 F380 T386 F388D12-V382 CarbonylContact O-C 3.51Å; I13-V382 HydrophobicContact CD1-CG2 4.43Å; I13-V382 HydrophobicContact CG1-CG2 4.28Å; I13-V382 HydrophobicContact CG2-CG2 4.41Å; W48-V382 PolarHBondContact NE1-O 2.72Å; I325-V382 HydrophobicContact CD1-CB 4.5Å; I325-V382 HydrophobicContact CD1-CG2 4.08Å; E339-V382 VanDerWaalsContact O-O 3.05Å; A340-V382 VanDerWaalsContact CA-O 3.29Å; A340-V382 WeakPolarHBondContact CA-O 3.31Å; V342-V382 HydrophobicContact CG2-CG1 4.23Å; F380-V382 HydrophobicContact CD2-CG2 3.91Å; F380-V382 HydrophobicContact CE2-CG2 3.78Å; V382-T386 HydrophobicContact CG1-CG2 3.99Å; V382-T386 WeakPolarHBondContact CG1-OG1 3.32Å; V382-F388 HydrophobicContact CG1-CE2 4.25Å; V382-F388 HydrophobicContact CG1-CZ 3.77Å
383R84.1Confident83Confident26 Ų2631.4 Ų31.410%0.09818%0.177CC..  trans-80.2155.3174.7-150.9170.3-153.1151.59.8110.9D12 E339 N385 T386D12-R383 WeakPolarHBondContact O-CB 3.3Å; D12-R383 PolarHBondContact O-N 3.08Å; E339-R383 HydrophobicContact CB-CG 3.67Å; E339-R383 VanDerWaalsContact CD-NE 3.32Å; E339-R383 HydrophobicContact CG-CG 4.29Å; E339-R383 CarbonylContact O-C 3.47Å; E339-R383 WeakPolarHBondContact O-CA 3.35Å; E339-R383 IonicContact OE1-NE 2.84Å; E339-R383 IonicContact OE1-NH2 3.76Å; E339-R383 IonicContact OE2-CZ 3.72Å; E339-R383 VanDerWaalsContact OE2-CZ 3.22Å; E339-R383 IonicContact OE2-NE 3.7Å; E339-R383 PolarHBondContact OE2-NE 2.88Å; E339-R383 IonicContact OE2-NH2 3.51Å; E339-R383 PolarHBondContact OE2-NH2 3.22Å; R383-N385 WeakPolarHBondContact CD-OD1 3.44Å; R383-N385 VanDerWaalsContact CG-OD1 3.23Å; R383-N385 WeakPolarHBondContact CG-OD1 3.09Å; R383-T386 HydrophobicContact CB-CG2 3.51Å; R383-T386 VanDerWaalsContact O-CG2 3.32Å; R383-T386 WeakPolarHBondContact O-CG2 3.47Å; R383-T386 PolarHBondContact O-N 3.45Å; R383-T386 PolarHBondContact O-OG1 2.68Å
384S74.2Confident81.8Confident25 Ų2532.3 Ų32.318%0.17518%0.181CC..THydrogen-bonded Turntrans-75.8-34.5-176.263.70000112.3M338 E339 A341 N343 T386M338-S384 WeakPolarHBondContact O-CB 3.36Å; M338-S384 PolarHBondContact O-OG 3.12Å; E339-S384 VanDerWaalsContact CA-OG 3.28Å; E339-S384 WeakPolarHBondContact CA-OG 3.49Å; E339-S384 PolarHBondContact O-N 2.83Å; A341-S384 CarbonylContact O-C 3.13Å; A341-S384 WeakPolarHBondContact O-CA 3.48Å; N343-S384 PolarHBondContact OD1-O 3.19Å; S384-T386 PolarHBondContact O-N 3.18Å
385N74.3Confident80.2Confident71 Ų7131.1 Ų31.138%0.3818%0.178SC..THydrogen-bonded Turntrans-79.54.9-179.663.9-13.7000112.4R383 S387R383-N385 WeakPolarHBondContact CD-OD1 3.44Å; R383-N385 VanDerWaalsContact CG-OD1 3.23Å; R383-N385 WeakPolarHBondContact CG-OD1 3.09Å; N385-S387 PolarHBondContact O-N 2.71Å
386T78.5Confident78.4Confident0 Ų037.2 Ų37.20%020%0.204CC..  trans-70.4111.7178.661.50000111.4D12 N343 V382 R383 S384D12-T386 VanDerWaalsContact CA-CG2 3.49Å; D12-T386 HydrophobicContact CB-CG2 3.4Å; D12-T386 VanDerWaalsContact CB-CG2 3.4Å; D12-T386 WeakPolarHBondContact O-CG2 3.07Å; D12-T386 WeakPolarHBondContact OD1-CG2 3.25Å; N343-T386 PolarHBondContact ND2-O 2.95Å; V382-T386 HydrophobicContact CG1-CG2 3.99Å; V382-T386 WeakPolarHBondContact CG1-OG1 3.32Å; R383-T386 HydrophobicContact CB-CG2 3.51Å; R383-T386 VanDerWaalsContact O-CG2 3.32Å; R383-T386 WeakPolarHBondContact O-CG2 3.47Å; R383-T386 PolarHBondContact O-N 3.45Å; R383-T386 PolarHBondContact O-OG1 2.68Å; S384-T386 PolarHBondContact O-N 3.18Å
387S80.2Confident76.4Confident47 Ų4742 Ų4233%0.32922%0.221SC..  trans-88.4133.9167.5177.90000110.4E345 N385 A389E345-S387 PolarHBondContact OE1-OG 2.86Å; N385-S387 PolarHBondContact O-N 2.71Å; S387-A389 PolarHBondContact OG-N 2.59Å
388F82.3Confident74Confident4 Ų446 Ų462%0.01824%0.243CC..  trans-95.56.1178.4-65.4-79000112.8I13 I27 V342 E345 V347 V349 I359 V382 N390 I391I13-F388 HydrophobicContact CD1-CE1 4.25Å; I27-F388 HydrophobicContact CD1-CD1 3.7Å; I27-F388 HydrophobicContact CD1-CE1 3.48Å; I27-F388 VanDerWaalsContact CD1-CE1 3.48Å; I27-F388 HydrophobicContact CD1-CZ 4.25Å; V342-F388 HydrophobicContact CG1-CE2 4.01Å; E345-F388 PolarHBondContact OE2-N 3.17Å; E345-F388 VanDerWaalsContact OE2-N 3.12Å; V347-F388 HydrophobicContact CB-CD2 4.31Å; V347-F388 HydrophobicContact CG1-CD2 4.01Å; V347-F388 HydrophobicContact CG1-CE2 4.34Å; V347-F388 HydrophobicContact CG1-CG 4.25Å; V347-F388 HydrophobicContact CG2-CB 4.38Å; V347-F388 HydrophobicContact CG2-CD2 4.22Å; V349-F388 HydrophobicContact CG2-CE1 4.17Å; V349-F388 HydrophobicContact CG2-CE2 4.46Å; V349-F388 HydrophobicContact CG2-CZ 3.84Å; I359-F388 HydrophobicContact CG1-CD1 4.35Å; I359-F388 HydrophobicContact CG1-CE1 4.32Å; I359-F388 HydrophobicContact CG2-CD1 4.09Å; I359-F388 HydrophobicContact CG2-CG 4.37Å; V382-F388 HydrophobicContact CG1-CE2 4.25Å; V382-F388 HydrophobicContact CG1-CZ 3.77Å; F388-N390 VanDerWaalsContact C-N 3.25Å; F388-N390 PolarHBondContact O-N 3.47Å; F388-I391 HydrophobicContact CD1-CD1 3.99Å; F388-I391 WeakPolarHBondContact O-CB 2.93Å; F388-I391 PolarHBondContact O-N 2.96Å
389A73.7Confident71.4Confident69 Ų6949.6 Ų49.657%0.5726%0.261SS*.THydrogen-bonded Turntrans-55.5-36.4-175.900000113.7S387S387-A389 PolarHBondContact OG-N 2.59Å
390N68.6Low68.9Low99 Ų9956 Ų5653%0.52930%0.295SS..THydrogen-bonded Turntrans-97.112.2-175.3-67.9-18000114.2H30 F388 E392 N393H30-N390 PolarHBondContact CE1-O 3.16Å; F388-N390 VanDerWaalsContact C-N 3.25Å; F388-N390 PolarHBondContact O-N 3.47Å; N390-E392 PolarHBondContact O-N 3.39Å; N390-E392 VanDerWaalsContact O-N 3.16Å; N390-N393 PolarHBondContact O-N 3.08Å; N390-N393 VanDerWaalsContact O-N 3.17Å
391I75.1Confident66.3Low2 Ų262.3 Ų62.31%0.0133%0.329CS..THydrogen-bonded Turntrans-66.6-22.1-170.9-148.7176.4000113.8I359 L368 I371 F388 N393 F394I359-I391 HydrophobicContact CB-CD1 3.64Å; I359-I391 HydrophobicContact CD1-CD1 3.3Å; I359-I391 HydrophobicContact CG1-CD1 3.3Å; I359-I391 HydrophobicContact CG2-CD1 3.98Å; L368-I391 HydrophobicContact CB-CG2 3.76Å; I371-I391 HydrophobicContact CD1-CD1 4.3Å; I371-I391 HydrophobicContact CD1-CG1 4.47Å; F388-I391 HydrophobicContact CD1-CD1 3.99Å; F388-I391 WeakPolarHBondContact O-CB 2.93Å; F388-I391 PolarHBondContact O-N 2.96Å; I391-N393 PolarHBondContact O-N 3.22Å; I391-F394 WeakPolarHBondContact O-CB 3.32Å; I391-F394 PolarHBondContact O-N 3.15Å; I391-F394 VanDerWaalsContact O-N 3.08Å
392E70.2Confident63.9Low105 Ų10567.5 Ų67.549%0.49136%0.361SS..Hα-helixtrans-60.9-27.4177.1-62.7-171.3165.400112.1N390 F394 L395N390-E392 PolarHBondContact O-N 3.39Å; N390-E392 VanDerWaalsContact O-N 3.16Å; E392-F394 VanDerWaalsContact C-N 3.29Å; E392-F394 PolarHBondContact O-N 3.17Å; E392-L395 VanDerWaalsContact O-CB 3.3Å; E392-L395 WeakPolarHBondContact O-CB 3.41Å; E392-L395 PolarHBondContact O-N 3.16Å
393N65.2Low60.9Low72 Ų7270.9 Ų70.939%0.38538%0.384SS..Hα-helixtrans-72-21.9177.8-70-20.7000113.3H30 N390 I391 L395 K396H30-N393 VanDerWaalsContact CE1-CB 3.46Å; H30-N393 WeakPolarHBondContact CE1-CB 3.35Å; H30-N393 WeakPolarHBondContact NE2-CB 3.41Å; N390-N393 PolarHBondContact O-N 3.08Å; N390-N393 VanDerWaalsContact O-N 3.17Å; I391-N393 PolarHBondContact O-N 3.22Å; N393-L395 PolarHBondContact O-N 3.32Å; N393-K396 PolarHBondContact O-N 3.47Å
394F65Low58.2Low19 Ų1977 Ų778%0.08342%0.419CS..Hα-helixtrans-63.6-27.8172.7-123.7-69.1000111.2I25 H30 I371 I391 E392I25-F394 HydrophobicContact CG2-CE2 3.89Å; I25-F394 HydrophobicContact CG2-CZ 3.92Å; H30-F394 VanDerWaalsContact C-CZ 3.45Å; H30-F394 VanDerWaalsContact CA-CE2 3.43Å; H30-F394 HydrophobicContact CB-CD2 4.2Å; H30-F394 HydrophobicContact CB-CE2 4.15Å; H30-F394 HydrophobicContact CB-CG 4.48Å; H30-F394 HydrophobicContact CB-CZ 4.38Å; H30-F394 AromaticContact ND1-CD2 3.18Å; H30-F394 WeakPolarHBondContact ND1-CD2 3.23Å; H30-F394 AromaticContact ND1-CE2 3.85Å; H30-F394 AromaticContact ND1-CG 3.64Å; I371-F394 HydrophobicContact CD1-CD2 4.12Å; I371-F394 HydrophobicContact CD1-CE2 4.31Å; I371-F394 HydrophobicContact CD1-CG 4.23Å; I371-F394 HydrophobicContact CG1-CB 4.46Å; I371-F394 HydrophobicContact CG1-CD1 4.24Å; I371-F394 HydrophobicContact CG1-CG 4.2Å; I371-F394 HydrophobicContact CG2-CD1 4.26Å; I371-F394 HydrophobicContact CG2-CE1 4.05Å; I391-F394 WeakPolarHBondContact O-CB 3.32Å; I391-F394 PolarHBondContact O-N 3.15Å; I391-F394 VanDerWaalsContact O-N 3.08Å; E392-F394 VanDerWaalsContact C-N 3.29Å; E392-F394 PolarHBondContact O-N 3.17Å
395L57.5Low55.8Low53 Ų5385.4 Ų85.428%0.27745%0.453SS..Hα-helixtrans-71.5-39.9179.2-60.6166.3000112.5K370 E392 N393 K397 D398 D399K370-L395 HydrophobicContact CB-CD2 4.46Å; E392-L395 VanDerWaalsContact O-CB 3.3Å; E392-L395 WeakPolarHBondContact O-CB 3.41Å; E392-L395 PolarHBondContact O-N 3.16Å; N393-L395 PolarHBondContact O-N 3.32Å; L395-K397 PolarHBondContact O-N 3.21Å; L395-K397 VanDerWaalsContact O-N 3.17Å; L395-D398 PolarHBondContact O-N 3.08Å; L395-D398 VanDerWaalsContact O-N 3.15Å; L395-D399 PolarHBondContact O-N 3.19Å; L395-D399 VanDerWaalsContact O-N 3.16Å
396K53.2Low53.7Low134 Ų13491.1 Ų91.158%0.58348%0.477SS*.Hα-helixtrans-64-24.8-173.8-67.4-177.9179.41720113N393N393-K396 PolarHBondContact O-N 3.47Å
397K50.1Low51.2Low131 Ų131100.5 Ų100.557%0.5752%0.521SS*.Hα-helixtrans-77.2-25.4180-146.4176.2-176.4178.70113.3L395L395-K397 PolarHBondContact O-N 3.21Å; L395-K397 VanDerWaalsContact O-N 3.17Å
398D44.7Very low48.5Very low83 Ų83107 Ų10744%0.44454%0.543SS..Hα-helixtrans-94.9-36.6-179.2-73.5-17.5000112L395 N401L395-D398 PolarHBondContact O-N 3.08Å; L395-D398 VanDerWaalsContact O-N 3.15Å; D398-N401 PolarHBondContact O-N 3.19Å
399D38.7Very low46Very low99 Ų99113.6 Ų113.653%0.52958%0.583SS.*Hα-helixtrans-76.8-31.1-177.4-78.8-23.5000113.6L395 N401 V402 S403L395-D399 PolarHBondContact O-N 3.19Å; L395-D399 VanDerWaalsContact O-N 3.16Å; D399-N401 PolarHBondContact O-N 2.74Å; D399-N401 VanDerWaalsContact O-N 3.08Å; D399-V402 PolarHBondContact O-N 3.28Å; D399-S403 PolarHBondContact O-N 2.96Å; D399-S403 PolarHBondContact O-OG 2.94Å
400D39.2Very low43.7Very low134 Ų134118.7 Ų118.772%0.71760%0.595SS**THydrogen-bonded Turntrans-64.7-12.9175.1-76.4-12.3000112.8
401N38.3Very low41.9Very low133 Ų133119.4 Ų119.471%0.71161%0.608SS**THydrogen-bonded Turntrans-94.5-6.3171.8-83.2-27.1000114.4D398 D399D398-N401 PolarHBondContact O-N 3.19Å; D399-N401 PolarHBondContact O-N 2.74Å; D399-N401 VanDerWaalsContact O-N 3.08Å
402V39Very low39.9Very low111 Ų111124.5 Ų124.567%0.67364%0.644SS**THydrogen-bonded Turntrans-130.9-18.2-175.8-174.30000114.8D399D399-V402 PolarHBondContact O-N 3.28Å
403S27.7Very low38.6Very low71 Ų71129 Ų12950%0.49766%0.658SS.*SBendtrans-93.8114.3172.561.20000112.3D399D399-S403 PolarHBondContact O-N 2.96Å; D399-S403 PolarHBondContact O-OG 2.94Å
404N25.8Very low37.3Very low156 Ų156129.4 Ų129.483%0.83468%0.679SS**SBendtrans101.937.8167.2-55.4-17.9000118.9
405K25.3Very low36.7Very low201 Ų201132.8 Ų132.887%0.87470%0.697SS**  trans-127.1104148.2-74.9-174.4179.21730110
406E28.9Very low37.4Very low191 Ų191133 Ų13389%0.89370%0.703SS**  trans-43.4137.8160.6-66.7175.8160.100109.5K408E406-K408 PolarHBondContact O-N 3.05Å
407E27.1Very low38.3Very low196 Ų196135.5 Ų135.592%0.91671%0.714SS**  trans-36.593.2-177.1-64173.8156.200113.4
408K23Very low39.3Very low185 Ų185132.2 Ų132.280%0.80471%0.711SS**  trans-116.7104.8148.9-80.4-170.5176-1770107E406 E410E406-K408 PolarHBondContact O-N 3.05Å; K408-E410 PolarHBondContact O-N 3.4Å
409V29.1Very low40.6Very low142 Ų142131.2 Ų131.286%0.86170%0.703SS**  trans-64.187.3171.2-179.60000107.5
410E26.7Very low42.5Very low175 Ų175131 Ų13182%0.81870%0.699SS**  trans-115.6101.1160.3-78.9-176.9-177.800107.8K408 S412K408-E410 PolarHBondContact O-N 3.4Å; E410-S412 PolarHBondContact O-N 3.02Å
411S30.6Very low44.6Very low115 Ų115131.1 Ų131.180%0.80469%0.693SS**  trans-63.5102.217250.90000110.8
412S33.3Very low46.6Very low109 Ų109126.2 Ų126.276%0.76267%0.666SS**  trans-173.284141.857.40000108.9E410 G414E410-S412 PolarHBondContact O-N 3.02Å; S412-G414 PolarHBondContact O-N 2.9Å
413Y41.9Very low48.8Very low199 Ų199126.8 Ų126.878%0.7866%0.66SS**  trans-63.4116.1159.8-87-91.3000106.9I415Y413-I415 VanDerWaalsContact C-N 3.29Å; Y413-I415 PolarHBondContact O-N 3.25Å
414G38.4Very low51.5Low80 Ų80128.6 Ų128.683%0.82566%0.661SS**  trans-66.590.4171.300000109.3S412S412-G414 PolarHBondContact O-N 2.9Å
415I53.2Low54.3Low91 Ų91122.4 Ų122.447%0.46763%0.627SS.*  trans-70.5128173.2-61.2170.2000107.1Y413 E419 Q420Y413-I415 VanDerWaalsContact C-N 3.29Å; Y413-I415 PolarHBondContact O-N 3.25Å; I415-E419 HydrophobicContact CG2-CB 3.56Å; I415-Q420 HydrophobicContact CG2-CB 3.9Å; I415-Q420 HydrophobicContact CG2-CG 4.34Å
416S71.4Confident57Low57 Ų57115.3 Ų115.340%0.39960%0.599SS.*  trans-67.2149.7173.864.70000110.6A418 E419 Q420S416-A418 PolarHBondContact O-N 3.15Å; S416-E419 WeakPolarHBondContact CB-OE2 3.04Å; S416-E419 PolarHBondContact N-OE2 2.62Å; S416-E419 WeakPolarHBondContact O-CB 3.46Å; S416-E419 PolarHBondContact O-N 3.01Å; S416-E419 WeakPolarHBondContact OG-CG 3.25Å; S416-E419 PolarHBondContact OG-N 2.81Å; S416-E419 PolarHBondContact OG-OE2 3.27Å; S416-Q420 PolarHBondContact O-N 3.02Å
417K72.2Confident59.7Low187 Ų187112.8 Ų112.881%0.81358%0.581SS**Hα-helixtrans-52.8-34.8179.6-72.7-174.5178.4-1780113.4K421K417-K421 WeakPolarHBondContact O-CB 3.47Å; K417-K421 PolarHBondContact O-N 3.37Å; K417-K421 VanDerWaalsContact O-N 3.08Å
418A71.8Confident62.4Low61 Ų61109.4 Ų109.450%0.50457%0.569SS.*Hα-helixtrans-67.3-42.7177.200000112S416 K421 E422S416-A418 PolarHBondContact O-N 3.15Å; A418-K421 PolarHBondContact O-N 2.83Å; A418-E422 WeakPolarHBondContact O-CG 3.45Å; A418-E422 PolarHBondContact O-N 2.87Å
419E72Confident65.1Low62 Ų62102.6 Ų102.629%0.2954%0.54SS..Hα-helixtrans-67.8-36.4176-70.8165.8146.800112.3K374 I415 S416 K421 E422 F423K374-E419 IonicContact NZ-OE1 3.22Å; K374-E419 PolarHBondContact NZ-OE1 2.76Å; I415-E419 HydrophobicContact CG2-CB 3.56Å; S416-E419 WeakPolarHBondContact CB-OE2 3.04Å; S416-E419 PolarHBondContact N-OE2 2.62Å; S416-E419 WeakPolarHBondContact O-CB 3.46Å; S416-E419 PolarHBondContact O-N 3.01Å; S416-E419 WeakPolarHBondContact OG-CG 3.25Å; S416-E419 PolarHBondContact OG-N 2.81Å; S416-E419 PolarHBondContact OG-OE2 3.27Å; E419-K421 VanDerWaalsContact C-N 3.34Å; E419-E422 PolarHBondContact O-N 3.49Å; E419-F423 WeakPolarHBondContact O-CB 3.45Å; E419-F423 PolarHBondContact O-N 2.7Å
420Q77.7Confident67.6Low95 Ų9599.8 Ų99.844%0.44452%0.52SS..Hα-helixtrans-64-44.1177.6-150.3163.812.700110.3I415 S416 F423 E424I415-Q420 HydrophobicContact CG2-CB 3.9Å; I415-Q420 HydrophobicContact CG2-CG 4.34Å; S416-Q420 PolarHBondContact O-N 3.02Å; Q420-F423 PolarHBondContact O-N 3.07Å; Q420-E424 WeakPolarHBondContact O-CB 3.5Å; Q420-E424 WeakPolarHBondContact O-CG 3.18Å; Q420-E424 PolarHBondContact O-N 3Å
421K83.9Confident69.9Low136 Ų13696.4 Ų96.459%0.59151%0.513SS*.Hα-helixtrans-62.5-45.1173.3-172.9-178.9178.2-175.50112.6K417 A418 E419 F423 E424 D425K417-K421 WeakPolarHBondContact O-CB 3.47Å; K417-K421 PolarHBondContact O-N 3.37Å; K417-K421 VanDerWaalsContact O-N 3.08Å; A418-K421 PolarHBondContact O-N 2.83Å; E419-K421 VanDerWaalsContact C-N 3.34Å; K421-F423 VanDerWaalsContact C-N 3.28Å; K421-F423 PolarHBondContact O-N 2.76Å; K421-E424 PolarHBondContact O-N 3.18Å; K421-D425 WeakPolarHBondContact O-CB 3.41Å; K421-D425 PolarHBondContact O-N 3.03Å
422E79.5Confident72.3Confident31 Ų3197.1 Ų97.115%0.14551%0.512CS..Hα-helixtrans-60.1-39175.9-77.3-172.9174.800112.1F21 K23 P34 A418 E419 L426F21-E422 HydrophobicContact CE1-CB 4.38Å; F21-E422 HydrophobicContact CE1-CG 4.3Å; K23-E422 WeakPolarHBondContact CE-OE1 3.33Å; K23-E422 VanDerWaalsContact NZ-CD 3.31Å; K23-E422 IonicContact NZ-OE1 2.76Å; K23-E422 PolarHBondContact NZ-OE1 2.69Å; K23-E422 IonicContact NZ-OE2 3.55Å; K23-E422 PolarHBondContact NZ-OE2 3.2Å; P34-E422 WeakPolarHBondContact CB-OE1 3.3Å; A418-E422 WeakPolarHBondContact O-CG 3.45Å; A418-E422 PolarHBondContact O-N 2.87Å; E419-E422 PolarHBondContact O-N 3.49Å; E422-L426 WeakPolarHBondContact O-CB 3.46Å; E422-L426 PolarHBondContact O-N 3.41Å
423F84.3Confident74.3Confident122 Ų12297.5 Ų97.554%0.53551%0.509SS..Hα-helixtrans-70.2-44.6179.3-172-107.2000111.4E419 Q420 K421 L426 W427E419-F423 WeakPolarHBondContact O-CB 3.45Å; E419-F423 PolarHBondContact O-N 2.7Å; Q420-F423 PolarHBondContact O-N 3.07Å; K421-F423 VanDerWaalsContact C-N 3.28Å; K421-F423 PolarHBondContact O-N 2.76Å; F423-L426 PolarHBondContact O-N 3.5Å; F423-W427 AromaticContact CD1-CD1 3.4Å; F423-W427 VanDerWaalsContact CD1-CD1 3.4Å; F423-W427 AromaticContact CD1-NE1 3.57Å; F423-W427 AromaticContact CD2-NE1 3.89Å; F423-W427 AromaticContact CE1-CD1 3.3Å; F423-W427 AromaticContact CE1-NE1 2.97Å; F423-W427 AromaticContact CE2-CD1 3.96Å; F423-W427 AromaticContact CE2-NE1 3.33Å; F423-W427 VanDerWaalsContact CE2-NE1 3.33Å; F423-W427 AromaticContact CG-CD1 3.82Å; F423-W427 AromaticContact CZ-CD1 3.64Å; F423-W427 AromaticContact CZ-CE2 3.92Å; F423-W427 HydrophobicContact CZ-CZ2 4.41Å; F423-W427 AromaticContact CZ-NE1 2.87Å; F423-W427 PolarHBondContact O-N 3.22Å
424E85.3Confident75.4Confident110 Ų11095.3 Ų95.351%0.51451%0.507SS..Hα-helixtrans-58.3-49.9172.6-74.3172.9-176.500111.1Q420 K421 L426 W427 D428Q420-E424 WeakPolarHBondContact O-CB 3.5Å; Q420-E424 WeakPolarHBondContact O-CG 3.18Å; Q420-E424 PolarHBondContact O-N 3Å; K421-E424 PolarHBondContact O-N 3.18Å; E424-L426 PolarHBondContact O-N 3.32Å; E424-L426 VanDerWaalsContact O-N 3.17Å; E424-W427 PolarHBondContact O-N 3.26Å; E424-W427 VanDerWaalsContact O-N 3.1Å; E424-D428 WeakPolarHBondContact O-CB 3.16Å; E424-D428 VanDerWaalsContact O-CG 3.27Å; E424-D428 PolarHBondContact O-N 3.37Å
425D84.9Confident76.2Confident25 Ų2597.8 Ų97.813%0.13450%0.501CS..Hα-helixtrans-59.5-29.7177.3-83.9-42000112.7F21 L37 K39 K421 Q429F21-D425 HydrophobicContact CZ-CB 4.22Å; L37-D425 HydrophobicContact CD2-CB 3.8Å; K39-D425 WeakPolarHBondContact CE-OD1 3.36Å; K39-D425 IonicContact NZ-OD1 3.49Å; K39-D425 PolarHBondContact NZ-OD1 3.12Å; K421-D425 WeakPolarHBondContact O-CB 3.41Å; K421-D425 PolarHBondContact O-N 3.03Å; D425-Q429 WeakPolarHBondContact O-CG 3.35Å; D425-Q429 PolarHBondContact O-NE2 3.37Å
426L82.8Confident75.9Confident52 Ų52100 Ų10027%0.27251%0.513SS..Hα-helixtrans-80.1-39176.1-171.1145.8000111.9F21 V375 E422 F423 E424 Q429F21-L426 HydrophobicContact CE2-CB 4.19Å; F21-L426 HydrophobicContact CE2-CD1 4.08Å; F21-L426 HydrophobicContact CE2-CG 4.45Å; F21-L426 HydrophobicContact CZ-CB 4.2Å; V375-L426 HydrophobicContact CG1-CD1 4.43Å; E422-L426 WeakPolarHBondContact O-CB 3.46Å; E422-L426 PolarHBondContact O-N 3.41Å; F423-L426 PolarHBondContact O-N 3.5Å; E424-L426 PolarHBondContact O-N 3.32Å; E424-L426 VanDerWaalsContact O-N 3.17Å; L426-Q429 PolarHBondContact O-N 2.8Å
427W84.1Confident74.6Confident138 Ų138104.3 Ų104.352%0.52353%0.532SS..Hα-helixtrans-65.4-41.2175.5-88.8104000112.5F423 E424 Q429 I430F423-W427 AromaticContact CD1-CD1 3.4Å; F423-W427 VanDerWaalsContact CD1-CD1 3.4Å; F423-W427 AromaticContact CD1-NE1 3.57Å; F423-W427 AromaticContact CD2-NE1 3.89Å; F423-W427 AromaticContact CE1-CD1 3.3Å; F423-W427 AromaticContact CE1-NE1 2.97Å; F423-W427 AromaticContact CE2-CD1 3.96Å; F423-W427 AromaticContact CE2-NE1 3.33Å; F423-W427 VanDerWaalsContact CE2-NE1 3.33Å; F423-W427 AromaticContact CG-CD1 3.82Å; F423-W427 AromaticContact CZ-CD1 3.64Å; F423-W427 AromaticContact CZ-CE2 3.92Å; F423-W427 HydrophobicContact CZ-CZ2 4.41Å; F423-W427 AromaticContact CZ-NE1 2.87Å; F423-W427 PolarHBondContact O-N 3.22Å; E424-W427 PolarHBondContact O-N 3.26Å; E424-W427 VanDerWaalsContact O-N 3.1Å; W427-Q429 PolarHBondContact O-N 3.42Å; W427-Q429 VanDerWaalsContact O-N 3.13Å; W427-I430 HydrophobicContact CD2-CD1 4.07Å; W427-I430 HydrophobicContact CE3-CD1 3.58Å; W427-I430 HydrophobicContact CH2-CD1 4.45Å; W427-I430 HydrophobicContact CZ3-CD1 3.79Å; W427-I430 WeakPolarHBondContact O-CB 3.41Å; W427-I430 PolarHBondContact O-N 2.88Å
428D84.2Confident73.1Confident126 Ų126102.8 Ų102.867%0.67453%0.533SS*.THydrogen-bonded Turntrans-63.2-18.5178.3-70.3-14.7000112.8E424E424-D428 WeakPolarHBondContact O-CB 3.16Å; E424-D428 VanDerWaalsContact O-CG 3.27Å; E424-D428 PolarHBondContact O-N 3.37Å
429Q80Confident71.5Confident42 Ų42103.1 Ų103.120%0.19654%0.543CS..THydrogen-bonded Turntrans-91.5-9.3177.2-71.4178.963.300113.6A19 D425 L426 W427 P431A19-Q429 PolarHBondContact O-OE1 3.17Å; D425-Q429 WeakPolarHBondContact O-CG 3.35Å; D425-Q429 PolarHBondContact O-NE2 3.37Å; L426-Q429 PolarHBondContact O-N 2.8Å; W427-Q429 PolarHBondContact O-N 3.42Å; W427-Q429 VanDerWaalsContact O-N 3.13Å; Q429-P431 WeakPolarHBondContact O-CD 3.33Å
430I81.5Confident69.7Low82 Ų82105.9 Ų105.942%0.42156%0.563SS.*SBendtrans-74.1123.7177.3-65.1174.2000108W427 V432W427-I430 HydrophobicContact CD2-CD1 4.07Å; W427-I430 HydrophobicContact CE3-CD1 3.58Å; W427-I430 HydrophobicContact CH2-CD1 4.45Å; W427-I430 HydrophobicContact CZ3-CD1 3.79Å; W427-I430 WeakPolarHBondContact O-CB 3.41Å; W427-I430 PolarHBondContact O-N 2.88Å; I430-V432 PolarHBondContact O-N 2.56Å
431P75.2Confident67.5Low105 Ų105109.1 Ų109.168%0.68258%0.584SS**  trans-62.8132177.525.5-32.9000109.9Q429 V433Q429-P431 WeakPolarHBondContact O-CD 3.33Å; P431-V433 PolarHBondContact O-N 2.75Å
432V79.7Confident64.9Low130 Ų130111.4 Ų111.479%0.78860%0.597SS**  trans-69114.5170.4-178.40000106.9I430 E434I430-V432 PolarHBondContact O-N 2.56Å; V432-E434 PolarHBondContact O-N 3.13Å; V432-E434 VanDerWaalsContact O-N 3.08Å
433V76.4Confident62.4Low116 Ų116113.5 Ų113.570%0.70363%0.627SS**  trans-73101.3171.8-179.70000106.9P431 N435P431-V433 PolarHBondContact O-N 2.75Å; V433-N435 PolarHBondContact O-N 2.8Å
434E65.8Low59.7Low154 Ų154112.9 Ų112.972%0.7264%0.636SS**  trans-69.4110.4164.6-67-17416600107.1V432 D436V432-E434 PolarHBondContact O-N 3.13Å; V432-E434 VanDerWaalsContact O-N 3.08Å; E434-D436 PolarHBondContact O-N 3.06Å
435N53.5Low56.9Low131 Ų131117.7 Ų117.770%0.70166%0.655SS**  trans-71.681.7169.3-82.2-21.4000108V433 N437V433-N435 PolarHBondContact O-N 2.8Å; N435-N437 PolarHBondContact O-N 2.82Å
436D47.4Very low54.2Low137 Ų137127.2 Ų127.273%0.73369%0.689SS**  trans-7465.3163.5-75.4-18.1000109.1E434E434-D436 PolarHBondContact O-N 3.06Å
437N44.8Very low51.5Low148 Ų148131 Ų13179%0.79172%0.715SS**  trans-15138.9170.2-95.5-29.6000111.5N435 G439N435-N437 PolarHBondContact O-N 2.82Å; N437-G439 VanDerWaalsContact C-N 3.32Å
438D39.3Very low48.9Very low155 Ų155130.5 Ų130.583%0.82973%0.727SS**  trans-10347.3158.2-72-24.5000109.9V440D438-V440 PolarHBondContact O-N 2.84Å
439G38.7Very low46.3Very low69 Ų69128.3 Ų128.371%0.71174%0.735SS**  trans-85.493.1163.500000109.5N437 N441N437-G439 VanDerWaalsContact C-N 3.32Å; G439-N441 PolarHBondContact O-N 3.42Å
440V33.8Very low44.1Very low120 Ų120134.5 Ų134.573%0.72777%0.768SS**  trans-29.4112.7171.4-178.70000112.9D438 E442D438-V440 PolarHBondContact O-N 2.84Å; V440-E442 HydrophobicContact CG1-CG 4.08Å
441N32.7Very low41.9Very low163 Ų163140.4 Ų140.487%0.87279%0.791SS**  trans-130.785.5153.6-115.7-17.3000108.2G439 G443G439-N441 PolarHBondContact O-N 3.42Å; N441-G443 PolarHBondContact O-N 2.69Å
442E29.6Very low39.8Very low184 Ų184142.2 Ų142.286%0.8680%0.8SS**  trans-55.7124.4163.8-68.4-171.3153.600109.3V440V440-E442 HydrophobicContact CG1-CG 4.08Å
443G27.1Very low37.5Very low75 Ų75139.6 Ų139.677%0.77380%0.799SS**  trans119.278.7160.800000115.7N441N441-G443 PolarHBondContact O-N 2.69Å
444C26.2Very low35.5Very low109 Ų109144 Ų14474%0.73681%0.808SS**  -159.598.9128.3-149.10000111.2R446C444-R446 PolarHBondContact O-N 2.69Å; C444-R446 VanDerWaalsContact O-N 3.15Å
445K26.9Very low34Very low210 Ų210148.6 Ų148.691%0.91382%0.819SS**  trans-61.6108.9159.5-75.5176176.7173.40108.5
446R29.2Very low33Very low226 Ų226154.1 Ų154.185%0.85383%0.83SS**  trans-138.2101.5154.9-75-166.8177.4176.30111.3C444C444-R446 PolarHBondContact O-N 2.69Å; C444-R446 VanDerWaalsContact O-N 3.15Å
447T25.9Very low32.4Very low131 Ų131159.6 Ų159.680%0.80484%0.841SS**  trans-55.2135.515648.70000111
448T28.6Very low32Very low127 Ų127162.5 Ų162.578%0.77985%0.846SS**  -175117.3128.240.90000109.7
449G29.3Very low32.2Very low81 Ų81168.6 Ų168.684%0.83587%0.866SS**  trans-67128.6169.600000111.4K451G449-K451 PolarHBondContact O-N 3.05Å
450L35.3Very low31.9Very low171 Ų171173.6 Ų173.690%0.89587%0.873SS**  trans-81.7105166.9-94.7105.6000109.4
451K34Very low31.8Very low207 Ų207176.4 Ų176.490%0.988%0.881SS**  trans-71.7125.4161.3-80.3-178.8175.3176.20109.3G449 G453G449-K451 PolarHBondContact O-N 3.05Å; K451-G453 PolarHBondContact O-N 2.8Å
452T31.7Very low31.8Very low143 Ų143177.2 Ų177.288%0.87788%0.881SS**  trans-60.7110.3173.345.80000112
453G31.8Very low31.9Very low74 Ų74176.8 Ų176.876%0.76388%0.883SS**  trans-83.1111.8172.800000112.3K451 R455K451-G453 PolarHBondContact O-N 2.8Å; G453-R455 PolarHBondContact O-N 3.19Å
454K33.8Very low32.2Very low208 Ų208183.1 Ų183.190%0.90489%0.89SS**  trans-65.9117.1169.2-79177.3174.8175.10110.4R456K454-R456 PolarHBondContact O-N 3.1Å
455R34.1Very low32.6Very low251 Ų251188.1 Ų188.195%0.94790%0.9SS**  trans-68.3112.2169.2-91.4177.8160.6171.9-5.3110.3G453G453-R455 PolarHBondContact O-N 3.19Å
456R33.9Very low33Very low248 Ų248186.5 Ų186.594%0.93690%0.899SS**PPolyproline II helixtrans-80123.8165.3-88.8179.7149.2171.1-6.5109.7K454K454-R456 PolarHBondContact O-N 3.1Å
457R33.9Very low33.3Very low251 Ų251183.5 Ų183.595%0.94790%0.902SS**PPolyproline II helixtrans-70.6123.8167.1-79177.4165.5164.4-4.8108.9
458K36.4Very low33.9Very low209 Ų209187.8 Ų187.891%0.90991%0.911SS**PPolyproline II helixtrans-80.7133.2162.5-83.6-176173.6-178.50108.4
459K44.5Very low34.4Very low284 Ų284193.4 Ų193.4100%1.23592%0.923SS**  trans-67.40160.6-94.4-175.8173-178.10109.5

Retrieved 459 of 459 residues in 618.6 ms (Link to these results)

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