A0A5K4FE76_SCHMA Loading...

Xaa-Pro aminopeptidase

AlphaFold DB , UniProt , Accession A0A5K4FE76, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 734 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
1M56.6Low86.3Confident99 Ų9963.4 Ų63.449%0.48833%0.332SS..  0155.40-67.4-168.8-152.100110.5E80 V455 Q458M1-E80 WeakPolarHBondContact CE-OE1 3.32Å; M1-E80 HydrophobicContact SD-CG 4.14Å; M1-V455 HydrophobicContact CE-CB 4.24Å; M1-V455 HydrophobicContact CE-CG1 3.81Å; M1-V455 HydrophobicContact CE-CG2 3.36Å; M1-V455 HydrophobicContact CG-CG1 4.16Å; M1-Q458 VanDerWaalsContact N-NE2 3.13Å
2K64.2Low87.3Confident156 Ų15665.5 Ų65.568%0.67833%0.333SS*.  trans-82.4119175.6-171.6-178.8173.4-163.40108.7V4 E177K2-V4 PolarHBondContact O-N 3.49Å; K2-E177 IonicContact NZ-OE1 3.15Å; K2-E177 IonicContact NZ-OE2 3.83Å; K2-E177 PolarHBondContact NZ-OE2 2.86Å
3K79.1Confident88.1Confident90 Ų9060.5 Ų60.539%0.39131%0.307SS..  trans-55.5132.4174.3-70.1-170177.2-150.10110.1S79 L81K3-S79 VanDerWaalsContact CE-O 3.31Å; K3-S79 WeakPolarHBondContact CE-O 3.42Å; K3-S79 WeakPolarHBondContact CG-O 3.15Å; K3-L81 WeakPolarHBondContact CE-O 3.43Å; K3-L81 PolarHBondContact NZ-O 3.4Å
4V83.6Confident88.9Confident39 Ų3958.9 Ų58.924%0.23630%0.295CS..  trans-89.3111.8173.7177.60000107.9K2 S6K2-V4 PolarHBondContact O-N 3.49Å; V4-S6 PolarHBondContact O-N 3.42Å
5F90.5Very high89.5Confident141 Ų14159.9 Ų59.962%0.61830%0.302SS*.  trans-65.1121176.6-64.4-72.2000110.9R9 D82F5-R9 PolarHBondContact O-NH1 3.26Å; F5-D82 WeakPolarHBondContact CA-OD2 3.43Å
6S94.4Very high90.1Very high0 Ų058.1 Ų58.10%029%0.293CS..  trans-94.7-12.8-172.669.90000113.4V4 G8 R9 L10 D82 N84 W85V4-S6 PolarHBondContact O-N 3.42Å; S6-G8 VanDerWaalsContact C-N 3.32Å; S6-G8 PolarHBondContact O-N 2.88Å; S6-G8 VanDerWaalsContact O-N 3.17Å; S6-R9 WeakPolarHBondContact O-CA 3.28Å; S6-R9 WeakPolarHBondContact O-CB 3.49Å; S6-R9 PolarHBondContact O-N 3.12Å; S6-L10 WeakPolarHBondContact O-CG 3.37Å; S6-L10 PolarHBondContact O-N 3.38Å; S6-L10 WeakPolarHBondContact OG-CD1 3.45Å; S6-D82 WeakPolarHBondContact CB-OD2 3.35Å; S6-D82 PolarHBondContact N-OD2 3.06Å; S6-D82 VanDerWaalsContact OG-CG 3.25Å; S6-D82 PolarHBondContact OG-OD1 3.45Å; S6-D82 PolarHBondContact OG-OD2 2.93Å; S6-N84 PolarHBondContact OG-ND2 3.05Å; S6-W85 PolarHBondContact OG-NE1 3.1Å
7S95Very high90.5Very high50 Ų5054.6 Ų54.635%0.3528%0.276SS..Hα-helixtrans-52.8-43.4-174.7-49.80000114.1T11 N84S7-T11 VanDerWaalsContact O-CB 3.31Å; S7-T11 WeakPolarHBondContact O-CB 3.45Å; S7-T11 PolarHBondContact O-N 3Å; S7-T11 PolarHBondContact O-OG1 3.3Å; S7-N84 PolarHBondContact OG-ND2 3.16Å; S7-N84 VanDerWaalsContact OG-ND2 3.12Å
8G94.2Very high91Very high40 Ų4058.1 Ų58.141%0.41229%0.289SS..Hα-helixtrans-66.1-36.7178.200000113.2S6 R12S6-G8 VanDerWaalsContact C-N 3.32Å; S6-G8 PolarHBondContact O-N 2.88Å; S6-G8 VanDerWaalsContact O-N 3.17Å; G8-R12 WeakPolarHBondContact O-CD 3.41Å; G8-R12 WeakPolarHBondContact O-CG 3.31Å; G8-R12 PolarHBondContact O-N 2.82Å
9R95.8Very high91.3Very high9 Ų961.5 Ų61.53%0.03431%0.308CS..Hα-helixtrans-73.6-46.6179.4-55.9177.216881.7-3110.9F5 S6 T11 R12 L13 F47 I48 V167 M171 N178F5-R9 PolarHBondContact O-NH1 3.26Å; S6-R9 WeakPolarHBondContact O-CA 3.28Å; S6-R9 WeakPolarHBondContact O-CB 3.49Å; S6-R9 PolarHBondContact O-N 3.12Å; R9-T11 VanDerWaalsContact C-N 3.34Å; R9-T11 PolarHBondContact O-N 3.1Å; R9-R12 PolarHBondContact O-N 2.94Å; R9-L13 PolarHBondContact O-N 2.99Å; R9-F47 WeakPolarHBondContact CD-O 3.21Å; R9-F47 HydrophobicContact CG-CZ 4.19Å; R9-F47 PolarHBondContact NE-O 3.28Å; R9-I48 HydrophobicContact CB-CD1 3.63Å; R9-V167 HydrophobicContact CB-CG1 4.25Å; R9-M171 HydrophobicContact CB-SD 4.36Å; R9-M171 HydrophobicContact CG-CE 3.86Å; R9-M171 HydrophobicContact CG-SD 3.66Å; R9-N178 PolarHBondContact NH2-O 2.85Å
10L98.2Very high91.6Very high0 Ų063.7 Ų63.70%031%0.313CS..Hα-helixtrans-60.4-42175.9-69.9175.6000111.9S6 R12 L13 R14 I48 I60 A65 N84 W85S6-L10 WeakPolarHBondContact O-CG 3.37Å; S6-L10 PolarHBondContact O-N 3.38Å; S6-L10 WeakPolarHBondContact OG-CD1 3.45Å; L10-R12 PolarHBondContact O-N 3.05Å; L10-L13 PolarHBondContact O-N 2.76Å; L10-R14 WeakPolarHBondContact O-CB 3.19Å; L10-R14 WeakPolarHBondContact O-CD 3.13Å; L10-R14 WeakPolarHBondContact O-CG 3.37Å; L10-R14 PolarHBondContact O-N 3.35Å; L10-I48 HydrophobicContact CD2-CD1 4.45Å; L10-I48 HydrophobicContact CD2-CG1 4.47Å; L10-I60 HydrophobicContact CD2-CD1 3.96Å; L10-I60 HydrophobicContact CD2-CG1 4.2Å; L10-I60 HydrophobicContact CD2-CG2 4.04Å; L10-A65 HydrophobicContact CD1-CB 4.37Å; L10-A65 HydrophobicContact CD2-CB 4.09Å; L10-N84 HydrophobicContact CD1-CB 3.55Å; L10-W85 HydrophobicContact CD2-CH2 4.31Å; L10-W85 HydrophobicContact CD2-CZ2 3.85Å; L10-W85 HydrophobicContact CG-CZ2 4.48Å
11T98Very high91.9Very high73 Ų7366.3 Ų66.345%0.44833%0.328SS..Hα-helixtrans-60.4-45.7177.5-61.30000111.5S7 R9 R14 N15S7-T11 VanDerWaalsContact O-CB 3.31Å; S7-T11 WeakPolarHBondContact O-CB 3.45Å; S7-T11 PolarHBondContact O-N 3Å; S7-T11 PolarHBondContact O-OG1 3.3Å; R9-T11 VanDerWaalsContact C-N 3.34Å; R9-T11 PolarHBondContact O-N 3.1Å; T11-R14 PolarHBondContact O-N 3.31Å; T11-N15 VanDerWaalsContact O-CG 3.31Å; T11-N15 PolarHBondContact O-N 3.33Å; T11-N15 PolarHBondContact O-ND2 2.93Å
12R97.9Very high93.9Very high89 Ų8962 Ų6234%0.33631%0.307SS..Hα-helixtrans-64.2-43.2177.7-73.3167.8178.9-83.5-1.8112G8 R9 L10 N15 L16 V167 S170G8-R12 WeakPolarHBondContact O-CD 3.41Å; G8-R12 WeakPolarHBondContact O-CG 3.31Å; G8-R12 PolarHBondContact O-N 2.82Å; R9-R12 PolarHBondContact O-N 2.94Å; L10-R12 PolarHBondContact O-N 3.05Å; R12-N15 PolarHBondContact O-N 3.05Å; R12-L16 PolarHBondContact O-N 3.35Å; R12-L16 VanDerWaalsContact O-N 3.15Å; R12-V167 HydrophobicContact CB-CG1 3.89Å; R12-V167 HydrophobicContact CB-CG2 4.09Å; R12-S170 WeakPolarHBondContact CD-OG 3.32Å; R12-S170 PolarHBondContact NH1-O 2.89Å; R12-S170 PolarHBondContact NH1-OG 2.8Å
13L98.4Very high95.5Very high0 Ų056.9 Ų56.90%029%0.285CS..Hα-helixtrans-60.9-47.7175.4-176.658.8000111.3R9 L10 N15 L16 L17 I48 I60 L163 I164 V167R9-L13 PolarHBondContact O-N 2.99Å; L10-L13 PolarHBondContact O-N 2.76Å; L13-N15 VanDerWaalsContact C-N 3.25Å; L13-N15 PolarHBondContact O-N 3.38Å; L13-L16 WeakPolarHBondContact O-CA 3.36Å; L13-L16 WeakPolarHBondContact O-CB 3.46Å; L13-L16 PolarHBondContact O-N 2.99Å; L13-L17 HydrophobicContact CG-CG 4.48Å; L13-L17 WeakPolarHBondContact O-CG 3.45Å; L13-L17 PolarHBondContact O-N 3.44Å; L13-I48 HydrophobicContact CD2-CD1 4.39Å; L13-I60 HydrophobicContact CD2-CB 4.1Å; L13-I60 HydrophobicContact CD2-CD1 3.35Å; L13-I60 HydrophobicContact CD2-CG1 4.32Å; L13-I60 HydrophobicContact CD2-CG2 4Å; L13-L163 HydrophobicContact CD1-CB 3.62Å; L13-L163 HydrophobicContact CD1-CD1 4.25Å; L13-I164 HydrophobicContact CD1-CD1 4.18Å; L13-I164 HydrophobicContact CD2-CD1 3.83Å; L13-V167 HydrophobicContact CB-CG2 3.89Å; L13-V167 HydrophobicContact CD1-CG2 4.25Å
14R98.6Very high96.4Very high38 Ų3852.6 Ų52.614%0.14327%0.267CS..Hα-helixtrans-60.4-34.1179.6-73.7166.1174.81632112.6L10 T11 L17 K18 T61 L62 D63 Q64L10-R14 WeakPolarHBondContact O-CB 3.19Å; L10-R14 WeakPolarHBondContact O-CD 3.13Å; L10-R14 WeakPolarHBondContact O-CG 3.37Å; L10-R14 PolarHBondContact O-N 3.35Å; T11-R14 PolarHBondContact O-N 3.31Å; R14-L17 PolarHBondContact O-N 3.29Å; R14-K18 WeakPolarHBondContact O-CG 3.22Å; R14-K18 PolarHBondContact O-N 3.47Å; R14-T61 PolarHBondContact NE-O 3Å; R14-L62 WeakPolarHBondContact CD-O 3.47Å; R14-L62 PolarHBondContact NE-O 3.15Å; R14-D63 PolarHBondContact NH2-O 3.19Å; R14-D63 VanDerWaalsContact NH2-O 3.09Å; R14-Q64 PolarHBondContact NH2-O 3.28Å
15N98.5Very high97.1Very high74 Ų7450.7 Ų50.740%0.39626%0.256SS..Hα-helixtrans-64.4-46.5171.7-68.2-17.3000111T11 R12 L13 L17 K18 D19T11-N15 VanDerWaalsContact O-CG 3.31Å; T11-N15 PolarHBondContact O-N 3.33Å; T11-N15 PolarHBondContact O-ND2 2.93Å; R12-N15 PolarHBondContact O-N 3.05Å; L13-N15 VanDerWaalsContact C-N 3.25Å; L13-N15 PolarHBondContact O-N 3.38Å; N15-L17 VanDerWaalsContact C-N 3.26Å; N15-L17 PolarHBondContact O-N 2.89Å; N15-K18 PolarHBondContact O-N 2.97Å; N15-K18 VanDerWaalsContact O-N 3.16Å; N15-D19 PolarHBondContact O-N 3.47Å
16L98.2Very high97.5Very high31 Ų3144.3 Ų44.316%0.16223%0.228CC..Hα-helixtrans-60.4-33.9175.6-65.9171.1000113.3R12 L13 R20 L166 V167R12-L16 PolarHBondContact O-N 3.35Å; R12-L16 VanDerWaalsContact O-N 3.15Å; L13-L16 WeakPolarHBondContact O-CA 3.36Å; L13-L16 WeakPolarHBondContact O-CB 3.46Å; L13-L16 PolarHBondContact O-N 2.99Å; L16-R20 WeakPolarHBondContact O-CG 3.45Å; L16-R20 PolarHBondContact O-N 2.83Å; L16-R20 PolarHBondContact O-NH1 2.91Å; L16-L166 HydrophobicContact CD1-CB 3.73Å; L16-L166 HydrophobicContact CD1-CD1 4.22Å; L16-L166 HydrophobicContact CD2-CD1 4.18Å; L16-V167 HydrophobicContact CD1-CG2 3.73Å
17L98.3Very high97.6Very high0 Ų044.3 Ų44.30%023%0.228CC..Hα-helixtrans-66.2-48.6174.2-61.5-176.8000111.2L13 R14 N15 D19 R20 N21 L22 L62 L163L13-L17 HydrophobicContact CG-CG 4.48Å; L13-L17 WeakPolarHBondContact O-CG 3.45Å; L13-L17 PolarHBondContact O-N 3.44Å; R14-L17 PolarHBondContact O-N 3.29Å; N15-L17 VanDerWaalsContact C-N 3.26Å; N15-L17 PolarHBondContact O-N 2.89Å; L17-D19 PolarHBondContact O-N 2.85Å; L17-R20 CarbonylContact O-C 3.46Å; L17-R20 PolarHBondContact O-N 3.17Å; L17-R20 VanDerWaalsContact O-N 3.1Å; L17-N21 PolarHBondContact O-N 3.12Å; L17-N21 VanDerWaalsContact O-N 3.12Å; L17-L22 HydrophobicContact CB-CB 4.19Å; L17-L22 HydrophobicContact CD2-CB 4.04Å; L17-L22 HydrophobicContact CD2-CD1 4.06Å; L17-L22 PolarHBondContact O-N 2.73Å; L17-L62 HydrophobicContact CB-CD2 3.94Å; L17-L62 HydrophobicContact CD1-CD2 4.49Å; L17-L163 HydrophobicContact CD2-CD1 3.59Å
18K98.3Very high97.6Very high116 Ų11642.3 Ų42.350%0.50421%0.213SC..Hα-helixtrans-58.6-46177-70.1169.9-173.7173.80111.7R14 N15 R20 N21 L62R14-K18 WeakPolarHBondContact O-CG 3.22Å; R14-K18 PolarHBondContact O-N 3.47Å; N15-K18 PolarHBondContact O-N 2.97Å; N15-K18 VanDerWaalsContact O-N 3.16Å; K18-R20 PolarHBondContact O-N 3.24Å; K18-R20 VanDerWaalsContact O-N 3.1Å; K18-N21 PolarHBondContact O-N 3.34Å; K18-L62 HydrophobicContact CG-CD2 3.83Å
19D97.6Very high97.6Very high123 Ų12341.2 Ų41.266%0.65820%0.199SC*.Hα-helixtrans-60.8-21.9179.3-64.7-17.3000112.9N15 L17N15-D19 PolarHBondContact O-N 3.47Å; L17-D19 PolarHBondContact O-N 2.85Å
20R97Very high97.5Very high105 Ų10544.5 Ų44.540%0.39622%0.215SC..THydrogen-bonded Turntrans-107.58.3180-70.3170.3175.9681.8113.6L16 L17 K18 L22L16-R20 WeakPolarHBondContact O-CG 3.45Å; L16-R20 PolarHBondContact O-N 2.83Å; L16-R20 PolarHBondContact O-NH1 2.91Å; L17-R20 CarbonylContact O-C 3.46Å; L17-R20 PolarHBondContact O-N 3.17Å; L17-R20 VanDerWaalsContact O-N 3.1Å; K18-R20 PolarHBondContact O-N 3.24Å; K18-R20 VanDerWaalsContact O-N 3.1Å; R20-L22 HydrophobicContact CB-CD1 4.04Å; R20-L22 HydrophobicContact CB-CG 4.06Å; R20-L22 PolarHBondContact O-N 2.95Å
21N97.4Very high97.4Very high120 Ų12044.5 Ų44.564%0.64222%0.215SC*.THydrogen-bonded Turntrans55.530.2-174.5-59.4-51.8000114.2L17 K18 Q23L17-N21 PolarHBondContact O-N 3.12Å; L17-N21 VanDerWaalsContact O-N 3.12Å; K18-N21 PolarHBondContact O-N 3.34Å; N21-Q23 PolarHBondContact O-NE2 3.09Å
22L98.1Very high97.2Very high8 Ų841.7 Ų41.74%0.04220%0.196CC..  trans-93.8144.8174.9-62.5172.2000110.6L17 R20 L111 V156 I158 L163L17-L22 HydrophobicContact CB-CB 4.19Å; L17-L22 HydrophobicContact CD2-CB 4.04Å; L17-L22 HydrophobicContact CD2-CD1 4.06Å; L17-L22 PolarHBondContact O-N 2.73Å; R20-L22 HydrophobicContact CB-CD1 4.04Å; R20-L22 HydrophobicContact CB-CG 4.06Å; R20-L22 PolarHBondContact O-N 2.95Å; L22-L111 HydrophobicContact CD2-CB 3.85Å; L22-V156 HydrophobicContact CD2-CB 4.34Å; L22-I158 HydrophobicContact CD1-CD1 3.53Å; L22-I158 HydrophobicContact CD1-CG1 4.34Å; L22-L163 HydrophobicContact CD1-CD1 4.37Å
23Q98.5Very high97.2Very high48 Ų4837.6 Ų37.622%0.22418%0.181CC..SBendtrans-106.4-12.2177.3-70.170.350.400112.6N21 T61 L62 L111N21-Q23 PolarHBondContact O-NE2 3.09Å; Q23-T61 VanDerWaalsContact O-CA 3.3Å; Q23-T61 WeakPolarHBondContact O-CA 3.38Å; Q23-T61 WeakPolarHBondContact O-CB 3.44Å; Q23-L62 HydrophobicContact CG-CD1 4.25Å; Q23-L62 PolarHBondContact O-N 3.05Å; Q23-L111 PolarHBondContact N-O 2.87Å
24G98.2Very high97Very high0 Ų039.6 Ų39.60%019%0.19CC..EExtended strand (participates in β ladder)trans-158.5169.9171.500000113.3I60 L111 G113G24-I60 CarbonylContact C-O 3.14Å; G24-I60 WeakPolarHBondContact CA-O 3.3Å; G24-L111 PolarHBondContact N-O 3.4Å; G24-G113 PolarHBondContact O-N 2.87Å
25Y98.5Very high96.7Very high0 Ų038.3 Ų38.30%019%0.186CC..EExtended strand (participates in β ladder)trans-141.1128.9177.6-172.5-108.8000110.6L27 V59 I60 G113 I158 N162 L163 I164Y25-L27 HydrophobicContact CD1-CB 4.25Å; Y25-L27 HydrophobicContact CE1-CB 4.08Å; Y25-L27 HydrophobicContact CE1-CD1 4.24Å; Y25-V59 WeakPolarHBondContact O-CA 3.49Å; Y25-I60 PolarHBondContact N-O 3.38Å; Y25-I60 PolarHBondContact O-N 3.17Å; Y25-G113 CarbonylContact C-O 3.42Å; Y25-G113 VanDerWaalsContact CA-O 3.3Å; Y25-G113 WeakPolarHBondContact CA-O 3.27Å; Y25-G113 WeakPolarHBondContact CD2-O 3.37Å; Y25-I158 HydrophobicContact CD2-CD1 3.96Å; Y25-I158 HydrophobicContact CE2-CD1 3.75Å; Y25-N162 PolarHBondContact OH-OD1 2.95Å; Y25-L163 HydrophobicContact CD2-CD1 3.86Å; Y25-L163 HydrophobicContact CD2-CG 4.37Å; Y25-L163 HydrophobicContact CE2-CB 4.27Å; Y25-L163 HydrophobicContact CE2-CD1 4Å; Y25-L163 HydrophobicContact CE2-CG 4Å; Y25-L163 HydrophobicContact CG-CD1 4.46Å; Y25-I164 HydrophobicContact CE1-CD1 4.21Å; Y25-I164 HydrophobicContact CE1-CG1 4.09Å
26I98.1Very high96.2Very high6 Ų637.5 Ų37.53%0.03118%0.18CC..EExtended strand (participates in β ladder)trans-94.7124.7174.8-61170.2000108.1V59 I102 I112 G113 I119 L127 L155I26-V59 HydrophobicContact CG1-CG2 4.39Å; I26-I102 HydrophobicContact CD1-CD1 3.97Å; I26-I102 HydrophobicContact CG1-CD1 4.15Å; I26-I112 HydrophobicContact CD1-CG2 3.91Å; I26-I112 HydrophobicContact CG1-CG2 3.79Å; I26-G113 PolarHBondContact N-O 2.75Å; I26-I119 HydrophobicContact CG2-CD1 4.12Å; I26-L127 HydrophobicContact CD1-CD1 4.33Å; I26-L155 HydrophobicContact CD1-CD2 4.02Å
27L97.2Very high95.9Very high1 Ų138.4 Ų38.41%0.00518%0.181CC..EExtended strand (participates in β ladder)trans-123108.4177.7178.368000110Y25 R44 I48 I58 I164Y25-L27 HydrophobicContact CD1-CB 4.25Å; Y25-L27 HydrophobicContact CE1-CB 4.08Å; Y25-L27 HydrophobicContact CE1-CD1 4.24Å; L27-R44 HydrophobicContact CD1-CB 4.08Å; L27-R44 HydrophobicContact CD2-CB 4.33Å; L27-I48 HydrophobicContact CD2-CG2 3.7Å; L27-I58 HydrophobicContact CB-CB 4.06Å; L27-I58 HydrophobicContact CB-CG2 4.12Å; L27-I58 HydrophobicContact CD2-CB 4.49Å; L27-I58 HydrophobicContact CD2-CD1 4.3Å; L27-I58 HydrophobicContact CD2-CG2 4.45Å; L27-I58 PolarHBondContact N-O 3.5Å; L27-I58 PolarHBondContact O-N 3.4Å; L27-I164 HydrophobicContact CD1-CG1 3.9Å; L27-I164 HydrophobicContact CD2-CD1 4.03Å; L27-I164 HydrophobicContact CD2-CG1 3.77Å; L27-I164 HydrophobicContact CG-CG1 4.42Å
28P95.3Very high95.7Very high7 Ų739.7 Ų39.75%0.04519%0.189CC..EExtended strand (participates in β ladder)trans-77.4167.9168.837.5-39.8000110.8E30 C45 Q118 I119P28-E30 VanDerWaalsContact CB-OE2 3.25Å; P28-E30 WeakPolarHBondContact CB-OE2 3.27Å; P28-C45 PolarHBondContact O-SG 2.84Å; P28-C45 VanDerWaalsContact O-SG 3.35Å; P28-Q118 HydrophobicContact CG-CB 3.51Å; P28-Q118 VanDerWaalsContact CG-O 3.24Å; P28-Q118 WeakPolarHBondContact CG-O 3.38Å; P28-I119 HydrophobicContact CB-CG1 4.39Å; P28-I119 HydrophobicContact CG-CD1 4.4Å; P28-I119 HydrophobicContact CG-CG1 3.76Å
29T94Very high95.5Very high17 Ų1734.3 Ų34.310%0.10417%0.167CC..SBendtrans-80.8-26175.5-59.90000111.9V38 S54 C56T29-V38 WeakPolarHBondContact O-CG1 3.5Å; T29-S54 WeakPolarHBondContact CG2-O 3.43Å; T29-C56 PolarHBondContact OG1-N 3.36Å; T29-C56 PolarHBondContact OG1-O 3.33Å; T29-C56 PolarHBondContact OG1-SG 3.1Å
30E94.1Very high95.3Very high79 Ų7931.5 Ų31.537%0.36915%0.154SC..  trans-62.1147.3-173.5-65.886.8150.700113P28 F34 Q118P28-E30 VanDerWaalsContact CB-OE2 3.25Å; P28-E30 WeakPolarHBondContact CB-OE2 3.27Å; E30-F34 HydrophobicContact CB-CD1 3.94Å; E30-F34 HydrophobicContact CB-CE1 4.42Å; E30-F34 HydrophobicContact CG-CD1 4.19Å; E30-Q118 PolarHBondContact O-NE2 3.5Å
31D95Very high95.1Very high0 Ų026.7 Ų26.70%014%0.136CC..  trans-88.2-173.7169.170.94000111.7H33 F34 N35 V38 D42D31-H33 PolarHBondContact O-N 2.95Å; D31-H33 PolarHBondContact OD1-N 2.64Å; D31-F34 PolarHBondContact O-N 3.39Å; D31-F34 PolarHBondContact OD1-N 2.94Å; D31-N35 PolarHBondContact OD1-N 3.27Å; D31-N35 VanDerWaalsContact OD1-N 3.14Å; D31-N35 PolarHBondContact OD1-ND2 3.42Å; D31-N35 PolarHBondContact OD2-ND2 3.35Å; D31-V38 HydrophobicContact CB-CG1 4.06Å; D31-D42 HydrophobicContact CB-CB 3.95Å
32E95.1Very high95Very high14 Ų1421 Ų217%0.06511%0.106CC..THydrogen-bonded Turntrans-74-1.6-17864.3-156.3157.600115R117 R184 Y287E32-R117 WeakPolarHBondContact CA-O 3.43Å; E32-R117 HydrophobicContact CB-CB 3.9Å; E32-R117 IonicContact OE2-CZ 3.32Å; E32-R117 IonicContact OE2-NH1 3.86Å; E32-R117 PolarHBondContact OE2-NH1 3.11Å; E32-R184 IonicContact OE1-CZ 2.93Å; E32-R184 IonicContact OE1-NE 3.88Å; E32-R184 IonicContact OE1-NH2 3.45Å; E32-R184 PolarHBondContact OE1-NH2 2.68Å; E32-Y287 PolarHBondContact OE1-OH 2.93Å; E32-Y287 VanDerWaalsContact OE1-OH 3.13Å
33H97.1Very high94.8Very high3 Ų326.3 Ų26.31%0.01413%0.125CC..THydrogen-bonded Turntrans-118.6-3.2179.1-67.3-77000112.9D31 N35 Y223 L225 Y246 A247 Y248 Y287D31-H33 PolarHBondContact O-N 2.95Å; D31-H33 PolarHBondContact OD1-N 2.64Å; H33-N35 VanDerWaalsContact C-N 3.26Å; H33-N35 WeakPolarHBondContact CB-ND2 3.46Å; H33-N35 PolarHBondContact O-N 3.08Å; H33-Y223 PolarHBondContact ND1-O 2.84Å; H33-L225 HydrophobicContact CB-CD1 4.33Å; H33-L225 HydrophobicContact CB-CD2 4.22Å; H33-L225 HydrophobicContact CB-CG 3.91Å; H33-L225 VanDerWaalsContact ND1-CD2 3.32Å; H33-L225 WeakPolarHBondContact ND1-CD2 3.45Å; H33-Y246 AromaticContact CD2-CD1 3.74Å; H33-Y246 AromaticContact NE2-CD1 3.8Å; H33-A247 PolarHBondContact CE1-O 3.14Å; H33-Y248 AromaticContact CE1-CD1 3.97Å; H33-Y248 AromaticContact CE1-CE1 3.46Å; H33-Y248 VanDerWaalsContact CE1-CE1 3.46Å; H33-Y248 WeakPolarHBondContact CE1-CE1 3.37Å; H33-Y248 AromaticContact CE1-CE2 3.75Å; H33-Y248 AromaticContact CE1-CZ 3.33Å; H33-Y248 AromaticContact ND1-CE1 3.79Å; H33-Y248 AromaticContact NE2-CZ 3.89Å; H33-Y287 AromaticContact CE1-CE2 3.94Å; H33-Y287 AromaticContact NE2-CE2 3.62Å; H33-Y287 AromaticContact NE2-CZ 3.56Å; H33-Y287 PolarHBondContact NE2-OH 3.38Å
34F94.7Very high94.7Very high41 Ų4124.4 Ų24.418%0.1812%0.116CC..  trans56.339.4-176.6-50.5-73.1000113E30 D31 P120 Y223 S318E30-F34 HydrophobicContact CB-CD1 3.94Å; E30-F34 HydrophobicContact CB-CE1 4.42Å; E30-F34 HydrophobicContact CG-CD1 4.19Å; D31-F34 PolarHBondContact O-N 3.39Å; D31-F34 PolarHBondContact OD1-N 2.94Å; F34-P120 HydrophobicContact CD1-CG 4.26Å; F34-P120 HydrophobicContact CE1-CG 3.77Å; F34-P120 HydrophobicContact CZ-CG 3.97Å; F34-Y223 HydrophobicContact CD2-CD2 4.33Å; F34-Y223 HydrophobicContact CD2-CE2 4.1Å; F34-Y223 HydrophobicContact CE2-CE2 4.46Å; F34-S318 WeakPolarHBondContact CD2-O 3.47Å; F34-S318 WeakPolarHBondContact CE2-O 3.44Å
35N92.6Very high94.6Very high11 Ų1124.7 Ų24.76%0.05912%0.118CC..  trans-64.8147.6176.3-66.1-61.2000111.1D31 H33 Y37 L225 I239D31-N35 PolarHBondContact OD1-N 3.27Å; D31-N35 VanDerWaalsContact OD1-N 3.14Å; D31-N35 PolarHBondContact OD1-ND2 3.42Å; D31-N35 PolarHBondContact OD2-ND2 3.35Å; H33-N35 VanDerWaalsContact C-N 3.26Å; H33-N35 WeakPolarHBondContact CB-ND2 3.46Å; H33-N35 PolarHBondContact O-N 3.08Å; N35-Y37 WeakPolarHBondContact CB-O 3.22Å; N35-Y37 PolarHBondContact O-N 3.37Å; N35-L225 WeakPolarHBondContact ND2-CD1 3.15Å; N35-L225 WeakPolarHBondContact OD1-CD1 3.26Å; N35-I239 HydrophobicContact CB-CD1 3.95Å; N35-I239 VanDerWaalsContact CG-CD1 3.42Å; N35-I239 WeakPolarHBondContact ND2-CD1 3.35Å
36E86.9Confident94.4Very high58 Ų5826 Ų2627%0.27113%0.129SC..SBendtrans-56.9-41.3174-173-169.2155.800111.7V553 H554E36-V553 WeakPolarHBondContact OE1-CG1 3.44Å; E36-H554 VanDerWaalsContact CD-ND1 3.27Å; E36-H554 IonicContact OE1-CE1 3.53Å; E36-H554 PolarHBondContact OE1-CE1 3.02Å; E36-H554 IonicContact OE1-CG 3.67Å; E36-H554 IonicContact OE1-ND1 2.76Å; E36-H554 PolarHBondContact OE1-ND1 3.38Å; E36-H554 PolarHBondContact OE2-N 2.97Å; E36-H554 IonicContact OE2-ND1 2.75Å
37Y92.5Very high94.2Very high49 Ų4926.2 Ų26.219%0.19213%0.13CC..SBendtrans-116.4138.8172.2-60.6-89.8000109.8N35 I239 Y241 N242 F437N35-Y37 WeakPolarHBondContact CB-O 3.22Å; N35-Y37 PolarHBondContact O-N 3.37Å; Y37-I239 WeakPolarHBondContact O-CG2 3.45Å; Y37-Y241 AromaticContact CD1-CD2 3.61Å; Y37-Y241 HydrophobicContact CD1-CD2 3.61Å; Y37-Y241 HydrophobicContact CD1-CE2 4.1Å; Y37-Y241 HydrophobicContact CD2-CD2 4.16Å; Y37-Y241 AromaticContact CE1-CD2 3.65Å; Y37-Y241 HydrophobicContact CE1-CD2 3.65Å; Y37-Y241 HydrophobicContact CE1-CE2 4.06Å; Y37-Y241 HydrophobicContact CE2-CD2 4.16Å; Y37-Y241 HydrophobicContact CE2-CG 4.49Å; Y37-Y241 AromaticContact CG-CD2 3.87Å; Y37-Y241 HydrophobicContact CG-CD2 3.87Å; Y37-Y241 AromaticContact CZ-CD2 3.94Å; Y37-N242 WeakPolarHBondContact CD2-OD1 2.97Å; Y37-F437 WeakPolarHBondContact OH-CB 3.42Å
38V93.8Very high94.2Very high27 Ų2726.1 Ų26.116%0.16413%0.13CC..  trans-92.9139.1177.4-62.70000111.6T29 D31 D42 R43T29-V38 WeakPolarHBondContact O-CG1 3.5Å; D31-V38 HydrophobicContact CB-CG1 4.06Å; V38-D42 HydrophobicContact CB-CB 4.25Å; V38-R43 HydrophobicContact CG2-CG 3.88Å
39G93.6Very high94.2Very high4 Ų425.8 Ų25.84%0.04113%0.127CC..  trans-57.6154.4171.300000111.7S41 D42 R43G39-S41 PolarHBondContact O-N 2.9Å; G39-D42 PolarHBondContact O-N 3.44Å; G39-R43 PolarHBondContact O-N 2.65Å
40T92.8Very high94.2Very high64 Ų6425.3 Ų25.339%0.39313%0.125SC..G310 helixtrans-59.7-30.6-177.753.50000112.9D42T40-D42 PolarHBondContact O-N 3.18Å
41S93.8Very high94.1Very high3 Ų321.5 Ų21.52%0.02111%0.108CC..G310 helixtrans-70.2-12.8174.254.10000114.9G39 R181 P182G39-S41 PolarHBondContact O-N 2.9Å; S41-R181 PolarHBondContact O-NE 3.22Å; S41-R181 PolarHBondContact O-NH2 3.44Å; S41-P182 WeakPolarHBondContact CB-O 3.27Å
42D95.2Very high93.8Very high1 Ų125.6 Ų25.61%0.00513%0.133CC..G310 helixtrans-1132.6-177.2-63.8-69000113.4D31 V38 G39 T40 R44 R184D31-D42 HydrophobicContact CB-CB 3.95Å; V38-D42 HydrophobicContact CB-CB 4.25Å; G39-D42 PolarHBondContact O-N 3.44Å; T40-D42 PolarHBondContact O-N 3.18Å; D42-R44 PolarHBondContact O-N 2.83Å; D42-R44 IonicContact OD1-CZ 3.53Å; D42-R44 IonicContact OD1-NH1 3.95Å; D42-R44 PolarHBondContact OD1-NH1 3.16Å; D42-R44 IonicContact OD1-NH2 3.44Å; D42-R44 PolarHBondContact OD1-NH2 2.88Å; D42-R184 IonicContact OD1-CZ 3.52Å; D42-R184 IonicContact OD1-NH1 2.86Å; D42-R184 IonicContact OD1-NH2 3.27Å; D42-R184 PolarHBondContact OD1-NH2 3.09Å; D42-R184 IonicContact OD2-CZ 2.75Å; D42-R184 VanDerWaalsContact OD2-CZ 3.3Å; D42-R184 IonicContact OD2-NH1 3.19Å; D42-R184 PolarHBondContact OD2-NH1 2.91Å; D42-R184 IonicContact OD2-NH2 3.31Å; D42-R184 PolarHBondContact OD2-NH2 2.57Å
43R94.9Very high93.4Very high119 Ų11925.5 Ų25.545%0.44914%0.135SC..  trans-71.553.4176.8-68.9-177.4-178.9-170.9-2.4113.2V38 G39 A46 F47V38-R43 HydrophobicContact CG2-CG 3.88Å; G39-R43 PolarHBondContact O-N 2.65Å; R43-A46 HydrophobicContact CB-CB 4.29Å; R43-A46 PolarHBondContact O-N 3.41Å; R43-F47 PolarHBondContact O-N 2.83Å
44R95.6Very high92.9Very high8 Ų828.5 Ų28.53%0.0316%0.157CC..Hα-helixtrans-65.2-41.6-174.4-69.7175.9-178.3893.3112.7L27 D42 F47 I48 N162 I164 D165 R181L27-R44 HydrophobicContact CD1-CB 4.08Å; L27-R44 HydrophobicContact CD2-CB 4.33Å; D42-R44 PolarHBondContact O-N 2.83Å; D42-R44 IonicContact OD1-CZ 3.53Å; D42-R44 IonicContact OD1-NH1 3.95Å; D42-R44 PolarHBondContact OD1-NH1 3.16Å; D42-R44 IonicContact OD1-NH2 3.44Å; D42-R44 PolarHBondContact OD1-NH2 2.88Å; R44-F47 PolarHBondContact O-N 2.7Å; R44-I48 WeakPolarHBondContact O-CG2 3.27Å; R44-I48 PolarHBondContact O-N 3.35Å; R44-N162 WeakPolarHBondContact CD-OD1 3.31Å; R44-N162 VanDerWaalsContact NE-CG 3.34Å; R44-N162 PolarHBondContact NE-ND2 2.75Å; R44-I164 HydrophobicContact CB-CB 4.14Å; R44-I164 HydrophobicContact CB-CG1 4.38Å; R44-I164 HydrophobicContact CB-CG2 3.82Å; R44-I164 HydrophobicContact CG-CB 4.12Å; R44-I164 HydrophobicContact CG-CG2 4Å; R44-D165 IonicContact CZ-OD1 3.69Å; R44-D165 IonicContact CZ-OD2 3.46Å; R44-D165 IonicContact NE-OD1 2.75Å; R44-D165 PolarHBondContact NE-OD1 3.04Å; R44-D165 IonicContact NE-OD2 3.39Å; R44-D165 IonicContact NH2-OD1 2.6Å; R44-D165 PolarHBondContact NH2-OD1 2.64Å; R44-D165 VanDerWaalsContact NH2-OD1 3.15Å; R44-D165 IonicContact NH2-OD2 3.77Å; R44-D165 PolarHBondContact NH2-OD2 3.2Å; R44-R181 VanDerWaalsContact NH2-NH2 3.16Å
45C95.7Very high92.5Very high7 Ų729 Ų295%0.04717%0.166CC..Hα-helixtrans-59.7-47.8175.4-68.20000111.4P28 F47 I48 S49 C56 I58P28-C45 PolarHBondContact O-SG 2.84Å; P28-C45 VanDerWaalsContact O-SG 3.35Å; C45-F47 PolarHBondContact O-N 3.35Å; C45-I48 WeakPolarHBondContact O-CG2 3.36Å; C45-I48 PolarHBondContact O-N 2.88Å; C45-S49 WeakPolarHBondContact O-CB 3.28Å; C45-S49 PolarHBondContact O-N 3.48Å; C45-S49 PolarHBondContact O-OG 2.99Å; C45-C56 VanDerWaalsContact CB-SG 3.53Å; C45-C56 VanDerWaalsContact SG-SG 3.62Å; C45-I58 HydrophobicContact CB-CD1 3.91Å
46A94.2Very high92.5Very high28 Ų2828.7 Ų28.723%0.23116%0.164CC..Hα-helixtrans-63.4-41.1176.600000112.3R43 G50 F51R43-A46 HydrophobicContact CB-CB 4.29Å; R43-A46 PolarHBondContact O-N 3.41Å; A46-G50 VanDerWaalsContact O-CA 3.24Å; A46-G50 WeakPolarHBondContact O-CA 2.99Å; A46-G50 PolarHBondContact O-N 2.64Å; A46-F51 WeakPolarHBondContact CA-O 3.36Å; A46-F51 VanDerWaalsContact CB-O 3.31Å; A46-F51 WeakPolarHBondContact CB-O 3.29Å
47F95Very high92.8Very high9 Ų926.8 Ų26.84%0.03916%0.157CC..Hα-helixtrans-61.5-52.4175169.7-101.7000112.1R9 R43 R44 C45 I164 V167 W168 M171R9-F47 WeakPolarHBondContact CD-O 3.21Å; R9-F47 HydrophobicContact CG-CZ 4.19Å; R9-F47 PolarHBondContact NE-O 3.28Å; R43-F47 PolarHBondContact O-N 2.83Å; R44-F47 PolarHBondContact O-N 2.7Å; C45-F47 PolarHBondContact O-N 3.35Å; F47-I164 HydrophobicContact CD1-CG2 3.58Å; F47-I164 HydrophobicContact CE1-CG2 4.14Å; F47-V167 HydrophobicContact CE1-CB 4.26Å; F47-V167 HydrophobicContact CE1-CG1 3.87Å; F47-V167 HydrophobicContact CZ-CG1 4.15Å; F47-W168 HydrophobicContact CB-CD2 4.02Å; F47-W168 HydrophobicContact CB-CE3 3.85Å; F47-W168 HydrophobicContact CB-CH2 3.81Å; F47-W168 HydrophobicContact CB-CZ2 3.96Å; F47-W168 HydrophobicContact CB-CZ3 3.75Å; F47-W168 HydrophobicContact CD1-CB 4.15Å; F47-W168 AromaticContact CD1-CD2 3.87Å; F47-W168 HydrophobicContact CD1-CD2 3.87Å; F47-W168 AromaticContact CD1-CE3 3.98Å; F47-W168 HydrophobicContact CD1-CE3 3.98Å; F47-W168 AromaticContact CD1-CG 3.98Å; F47-W168 HydrophobicContact CD1-CG 3.98Å; F47-W168 AromaticContact CD2-CD1 3.65Å; F47-W168 AromaticContact CD2-CD2 3.59Å; F47-W168 HydrophobicContact CD2-CD2 3.59Å; F47-W168 AromaticContact CD2-CE2 3.41Å; F47-W168 VanDerWaalsContact CD2-CE2 3.41Å; F47-W168 HydrophobicContact CD2-CE3 4.29Å; F47-W168 AromaticContact CD2-CG 3.74Å; F47-W168 HydrophobicContact CD2-CG 3.74Å; F47-W168 AromaticContact CD2-CZ2 3.99Å; F47-W168 HydrophobicContact CD2-CZ2 3.99Å; F47-W168 AromaticContact CD2-NE1 3.43Å; F47-W168 HydrophobicContact CE1-CB 3.72Å; F47-W168 HydrophobicContact CE1-CD2 4.26Å; F47-W168 AromaticContact CE1-CG 3.87Å; F47-W168 HydrophobicContact CE1-CG 3.87Å; F47-W168 HydrophobicContact CE2-CB 4.22Å; F47-W168 AromaticContact CE2-CD1 3.37Å; F47-W168 HydrophobicContact CE2-CD2 4.02Å; F47-W168 AromaticContact CE2-CG 3.62Å; F47-W168 HydrophobicContact CE2-CG 3.62Å; F47-W168 AromaticContact CE2-NE1 3.58Å; F47-W168 AromaticContact CG-CD2 3.51Å; F47-W168 HydrophobicContact CG-CD2 3.51Å; F47-W168 AromaticContact CG-CE2 3.71Å; F47-W168 AromaticContact CG-CE3 3.75Å; F47-W168 HydrophobicContact CG-CE3 3.75Å; F47-W168 AromaticContact CG-CG 3.92Å; F47-W168 HydrophobicContact CG-CG 3.92Å; F47-W168 HydrophobicContact CG-CH2 4.35Å; F47-W168 HydrophobicContact CG-CZ2 4.14Å; F47-W168 HydrophobicContact CG-CZ3 4.17Å; F47-W168 HydrophobicContact CZ-CB 3.78Å; F47-W168 AromaticContact CZ-CD1 3.81Å; F47-W168 HydrophobicContact CZ-CD2 4.35Å; F47-W168 AromaticContact CZ-CG 3.71Å; F47-W168 HydrophobicContact CZ-CG 3.71Å; F47-M171 HydrophobicContact CZ-SD 4.03Å
48I96.3Very high93.1Very high0 Ų024.5 Ų24.50%015%0.148CC..Hα-helixtrans-72-36.7-172.2-167.655.5000113R9 L10 L13 L27 R44 C45 I58 I60 W85 I164R9-I48 HydrophobicContact CB-CD1 3.63Å; L10-I48 HydrophobicContact CD2-CD1 4.45Å; L10-I48 HydrophobicContact CD2-CG1 4.47Å; L13-I48 HydrophobicContact CD2-CD1 4.39Å; L27-I48 HydrophobicContact CD2-CG2 3.7Å; R44-I48 WeakPolarHBondContact O-CG2 3.27Å; R44-I48 PolarHBondContact O-N 3.35Å; C45-I48 WeakPolarHBondContact O-CG2 3.36Å; C45-I48 PolarHBondContact O-N 2.88Å; I48-I58 HydrophobicContact CG2-CD1 3.87Å; I48-I60 HydrophobicContact CG1-CD1 3.75Å; I48-W85 HydrophobicContact CG2-CH2 4.24Å; I48-I164 HydrophobicContact CB-CD1 4.2Å; I48-I164 HydrophobicContact CB-CG2 4.4Å; I48-I164 HydrophobicContact CD1-CD1 4.27Å; I48-I164 HydrophobicContact CG1-CD1 3.97Å
49S95.7Very high93.3Very high0 Ų023.2 Ų23.20%014%0.14CC..Hα-helixtrans-106.3-23.5-171.270.30000114.7C45 F51C45-S49 WeakPolarHBondContact O-CB 3.28Å; C45-S49 PolarHBondContact O-N 3.48Å; C45-S49 PolarHBondContact O-OG 2.99Å; S49-F51 WeakPolarHBondContact OG-CB 3.32Å; S49-F51 PolarHBondContact OG-N 2.99Å
50G92.9Very high93.6Very high6 Ų623 Ų236%0.06214%0.139CC..  trans83.9-9.9-16700000114.4A46 T52A46-G50 VanDerWaalsContact O-CA 3.24Å; A46-G50 WeakPolarHBondContact O-CA 2.99Å; A46-G50 PolarHBondContact O-N 2.64Å; G50-T52 PolarHBondContact O-N 2.92Å
51F93.1Very high93.8Very high0 Ų020 Ų200%012%0.12CC..  trans-76120.3178.7174.3-109.6000111.8A46 S49 G53 C56 L67 I69 Y73 Q76 A77 E80 L81A46-F51 WeakPolarHBondContact CA-O 3.36Å; A46-F51 VanDerWaalsContact CB-O 3.31Å; A46-F51 WeakPolarHBondContact CB-O 3.29Å; S49-F51 WeakPolarHBondContact OG-CB 3.32Å; S49-F51 PolarHBondContact OG-N 2.99Å; F51-G53 VanDerWaalsContact CZ-CA 3.41Å; F51-C56 HydrophobicContact CD1-CB 3.92Å; F51-C56 HydrophobicContact CE1-CB 3.68Å; F51-L67 HydrophobicContact CB-CD1 3.85Å; F51-L67 HydrophobicContact CD1-CD1 4Å; F51-L67 HydrophobicContact CD1-CD2 4.44Å; F51-L67 HydrophobicContact CG-CD1 4.09Å; F51-I69 HydrophobicContact CE1-CG2 3.89Å; F51-I69 HydrophobicContact CE2-CG2 4.44Å; F51-I69 HydrophobicContact CZ-CG2 3.72Å; F51-Y73 HydrophobicContact CE2-CD1 4.43Å; F51-Y73 HydrophobicContact CE2-CG 4.44Å; F51-Y73 AromaticContact CZ-CD1 3.86Å; F51-Y73 HydrophobicContact CZ-CD1 3.86Å; F51-Y73 AromaticContact CZ-CG 3.76Å; F51-Y73 HydrophobicContact CZ-CG 3.76Å; F51-Q76 HydrophobicContact CE2-CB 4.44Å; F51-Q76 HydrophobicContact CE2-CG 4.11Å; F51-A77 HydrophobicContact CD2-CB 3.81Å; F51-A77 HydrophobicContact CE2-CB 3.75Å; F51-E80 VanDerWaalsContact CA-OE2 3.28Å; F51-E80 WeakPolarHBondContact CA-OE2 3.48Å; F51-E80 VanDerWaalsContact CD2-OE2 3.32Å; F51-E80 WeakPolarHBondContact CD2-OE2 3.49Å; F51-L81 HydrophobicContact CB-CD2 3.98Å
52T89.6Confident94Very high85 Ų8522.7 Ų22.752%0.52113%0.134SC..  trans-101.41.4-172690000114.6G50 Q76 E80G50-T52 PolarHBondContact O-N 2.92Å; T52-Q76 PolarHBondContact OG1-NE2 3.16Å; T52-E80 PolarHBondContact N-OE2 3.2Å; T52-E80 PolarHBondContact OG1-OE1 3.07Å
53G86.6Confident94.1Very high12 Ų1227.6 Ų27.612%0.12416%0.16CC..  trans-63.5151.8176.600000112.6F51 S55F51-G53 VanDerWaalsContact CZ-CA 3.41Å; G53-S55 VanDerWaalsContact C-N 3.27Å; G53-S55 PolarHBondContact O-N 3.4Å
54S84.8Confident94.3Very high66 Ų6625.4 Ų25.446%0.46216%0.155SC..SBendtrans-75.3-9.9-173.2470000114.6T29 Y73T29-S54 WeakPolarHBondContact CG2-O 3.43Å; S54-Y73 PolarHBondContact OG-OH 2.72Å
55S87.4Confident94.4Very high53 Ų5325 Ų2537%0.37115%0.154SC..  trans-142.1124.9176.5-167.70000112.2G53G53-S55 VanDerWaalsContact C-N 3.27Å; G53-S55 PolarHBondContact O-N 3.4Å
56C93.1Very high94.5Very high4 Ų424.7 Ų24.73%0.02715%0.152CC..  trans-156.2174.116766.10000111.5T29 C45 F51 L67 W68 I69T29-C56 PolarHBondContact OG1-N 3.36Å; T29-C56 PolarHBondContact OG1-O 3.33Å; T29-C56 PolarHBondContact OG1-SG 3.1Å; C45-C56 VanDerWaalsContact CB-SG 3.53Å; C45-C56 VanDerWaalsContact SG-SG 3.62Å; F51-C56 HydrophobicContact CD1-CB 3.92Å; F51-C56 HydrophobicContact CE1-CB 3.68Å; C56-L67 HydrophobicContact CB-CD1 4.37Å; C56-L67 HydrophobicContact CB-CD2 4.07Å; C56-L67 HydrophobicContact CB-CG 4.12Å; C56-W68 CarbonylContact C-O 3.4Å; C56-W68 VanDerWaalsContact CA-O 3.23Å; C56-W68 WeakPolarHBondContact CA-O 3.41Å; C56-W68 WeakPolarHBondContact CB-O 3.38Å; C56-I69 HydrophobicContact CB-CG2 3.96Å
57S93.4Very high94.7Very high18 Ų1823.4 Ų23.413%0.12614%0.141CC..EExtended strand (participates in β ladder)trans-133.8138.2164.8-74.50000109.5L67 W68 R98S57-L67 CarbonylContact O-C 3.56Å; S57-L67 WeakPolarHBondContact O-CA 3.47Å; S57-W68 PolarHBondContact N-O 2.95Å; S57-W68 PolarHBondContact O-N 3.09Å; S57-R98 PolarHBondContact OG-NH1 3.36Å
58I97.7Very high94.7Very high0 Ų023.1 Ų23.10%014%0.139CC..EExtended strand (participates in β ladder)trans-120.1140.2-176.2-75172.1000110L27 C45 I48 I60 A66 L67 W85L27-I58 HydrophobicContact CB-CB 4.06Å; L27-I58 HydrophobicContact CB-CG2 4.12Å; L27-I58 HydrophobicContact CD2-CB 4.49Å; L27-I58 HydrophobicContact CD2-CD1 4.3Å; L27-I58 HydrophobicContact CD2-CG2 4.45Å; L27-I58 PolarHBondContact N-O 3.5Å; L27-I58 PolarHBondContact O-N 3.4Å; C45-I58 HydrophobicContact CB-CD1 3.91Å; I48-I58 HydrophobicContact CG2-CD1 3.87Å; I58-I60 HydrophobicContact CG2-CD1 3.71Å; I58-I60 HydrophobicContact CG2-CG1 3.63Å; I58-A66 WeakPolarHBondContact CA-O 3.3Å; I58-L67 HydrophobicContact CD1-CD1 3.92Å; I58-L67 HydrophobicContact CG1-CB 4.23Å; I58-L67 HydrophobicContact CG1-CD1 3.86Å; I58-L67 HydrophobicContact CG1-CG 3.98Å; I58-W85 HydrophobicContact CB-CZ3 4.38Å; I58-W85 HydrophobicContact CD1-CH2 3.97Å; I58-W85 HydrophobicContact CD1-CZ3 4.02Å; I58-W85 HydrophobicContact CG1-CH2 4.34Å; I58-W85 HydrophobicContact CG1-CZ3 3.92Å; I58-W85 HydrophobicContact CG2-CH2 3.85Å; I58-W85 HydrophobicContact CG2-CZ3 3.7Å
59V98.5Very high94.5Very high0 Ų023.1 Ų23.10%014%0.139CC..EExtended strand (participates in β ladder)trans-128.6127.9163.8-171.80000108.6Y25 I26 A66 W68 R98 W101 I102Y25-V59 WeakPolarHBondContact O-CA 3.49Å; I26-V59 HydrophobicContact CG1-CG2 4.39Å; V59-A66 PolarHBondContact N-O 3.4Å; V59-A66 PolarHBondContact O-N 3.45Å; V59-W68 HydrophobicContact CB-CH2 4.3Å; V59-W68 HydrophobicContact CB-CZ3 3.89Å; V59-W68 HydrophobicContact CG2-CE3 4.5Å; V59-W68 HydrophobicContact CG2-CH2 4.11Å; V59-W68 HydrophobicContact CG2-CZ3 3.66Å; V59-R98 HydrophobicContact CG2-CB 4.34Å; V59-R98 HydrophobicContact CG2-CG 4.44Å; V59-W101 HydrophobicContact CB-CE3 3.98Å; V59-W101 HydrophobicContact CB-CZ3 3.73Å; V59-W101 HydrophobicContact CG1-CE3 3.98Å; V59-W101 HydrophobicContact CG1-CZ3 3.59Å; V59-I102 HydrophobicContact CG1-CD1 4.13Å; V59-I102 HydrophobicContact CG1-CG1 3.68Å; V59-I102 HydrophobicContact CG2-CD1 4.27Å; V59-I102 HydrophobicContact CG2-CG1 4.4Å
60I98.7Very high93.9Very high0 Ų024.4 Ų24.40%015%0.146CC..EExtended strand (participates in β ladder)trans-121124.4178.7-60.5160.9000108.3L10 L13 G24 Y25 I48 I58 A65 W85L10-I60 HydrophobicContact CD2-CD1 3.96Å; L10-I60 HydrophobicContact CD2-CG1 4.2Å; L10-I60 HydrophobicContact CD2-CG2 4.04Å; L13-I60 HydrophobicContact CD2-CB 4.1Å; L13-I60 HydrophobicContact CD2-CD1 3.35Å; L13-I60 HydrophobicContact CD2-CG1 4.32Å; L13-I60 HydrophobicContact CD2-CG2 4Å; G24-I60 CarbonylContact C-O 3.14Å; G24-I60 WeakPolarHBondContact CA-O 3.3Å; Y25-I60 PolarHBondContact N-O 3.38Å; Y25-I60 PolarHBondContact O-N 3.17Å; I48-I60 HydrophobicContact CG1-CD1 3.75Å; I58-I60 HydrophobicContact CG2-CD1 3.71Å; I58-I60 HydrophobicContact CG2-CG1 3.63Å; I60-A65 HydrophobicContact CG1-CB 4.1Å; I60-W85 HydrophobicContact CD1-CH2 3.9Å; I60-W85 HydrophobicContact CG1-CH2 4.03Å; I60-W85 HydrophobicContact CG1-CZ3 4.33Å
61T98.6Very high92.9Very high1 Ų125.2 Ų25.21%0.00615%0.154CC..EExtended strand (participates in β ladder)trans-100.9-177.4172.4690000110.7R14 Q23 D63 Q64 W101 T106R14-T61 PolarHBondContact NE-O 3Å; Q23-T61 VanDerWaalsContact O-CA 3.3Å; Q23-T61 WeakPolarHBondContact O-CA 3.38Å; Q23-T61 WeakPolarHBondContact O-CB 3.44Å; T61-D63 PolarHBondContact O-N 2.86Å; T61-D63 VanDerWaalsContact O-N 3.17Å; T61-D63 PolarHBondContact OG1-N 2.85Å; T61-D63 PolarHBondContact OG1-OD1 3.41Å; T61-Q64 PolarHBondContact N-O 3.19Å; T61-Q64 WeakPolarHBondContact OG1-CB 3.43Å; T61-Q64 PolarHBondContact OG1-N 3.18Å; T61-Q64 PolarHBondContact OG1-O 3.31Å; T61-W101 HydrophobicContact CG2-CH2 3.91Å; T61-W101 HydrophobicContact CG2-CZ3 3.76Å; T61-T106 HydrophobicContact CG2-CG2 3.62Å
62L98.2Very high92Very high59 Ų5928.9 Ų28.931%0.30917%0.168SC..SBendtrans-60.6-21.2177.5-65.2-179000114.1R14 L17 K18 Q23R14-L62 WeakPolarHBondContact CD-O 3.47Å; R14-L62 PolarHBondContact NE-O 3.15Å; L17-L62 HydrophobicContact CB-CD2 3.94Å; L17-L62 HydrophobicContact CD1-CD2 4.49Å; K18-L62 HydrophobicContact CG-CD2 3.83Å; Q23-L62 HydrophobicContact CG-CD1 4.25Å; Q23-L62 PolarHBondContact O-N 3.05Å
63D97.1Very high91.6Very high104 Ų10425.2 Ų25.256%0.55615%0.145SC*.SBendtrans-137.7-18.2-172.263.7-22000114.3R14 T61R14-D63 PolarHBondContact NH2-O 3.19Å; R14-D63 VanDerWaalsContact NH2-O 3.09Å; T61-D63 PolarHBondContact O-N 2.86Å; T61-D63 VanDerWaalsContact O-N 3.17Å; T61-D63 PolarHBondContact OG1-N 2.85Å; T61-D63 PolarHBondContact OG1-OD1 3.41Å
64Q98Very high91.4Very high73 Ų7328.4 Ų28.434%0.34116%0.156SC..  trans-125.6161.7-178.2-61173.757.300111.8R14 T61 W101R14-Q64 PolarHBondContact NH2-O 3.28Å; T61-Q64 PolarHBondContact N-O 3.19Å; T61-Q64 WeakPolarHBondContact OG1-CB 3.43Å; T61-Q64 PolarHBondContact OG1-N 3.18Å; T61-Q64 PolarHBondContact OG1-O 3.31Å; Q64-W101 HydrophobicContact CB-CH2 3.92Å; Q64-W101 HydrophobicContact CB-CZ2 3.79Å
65A98.4Very high91.1Very high1 Ų131.1 Ų31.11%0.00817%0.165CC..EExtended strand (participates in β ladder)trans-143.1136172.700000109.1L10 I60 W85 S86L10-A65 HydrophobicContact CD1-CB 4.37Å; L10-A65 HydrophobicContact CD2-CB 4.09Å; I60-A65 HydrophobicContact CG1-CB 4.1Å; A65-W85 HydrophobicContact CB-CD2 4.04Å; A65-W85 HydrophobicContact CB-CE3 3.77Å; A65-W85 HydrophobicContact CB-CH2 4.19Å; A65-W85 HydrophobicContact CB-CZ2 4.4Å; A65-W85 HydrophobicContact CB-CZ3 3.87Å; A65-S86 PolarHBondContact O-N 3.42Å
66A98.2Very high90.9Very high0 Ų030.8 Ų30.80%016%0.158CC..EExtended strand (participates in β ladder)trans-134.2144.6-179.700000111.2I58 V59 W68 S86 F88 W101I58-A66 WeakPolarHBondContact CA-O 3.3Å; V59-A66 PolarHBondContact N-O 3.4Å; V59-A66 PolarHBondContact O-N 3.45Å; A66-W68 HydrophobicContact CB-CE3 4.24Å; A66-W68 HydrophobicContact CB-CH2 3.41Å; A66-W68 VanDerWaalsContact CB-CH2 3.41Å; A66-W68 HydrophobicContact CB-CZ2 4.3Å; A66-W68 HydrophobicContact CB-CZ3 3.37Å; A66-S86 CarbonylContact C-O 3.6Å; A66-S86 VanDerWaalsContact CA-O 3.28Å; A66-S86 WeakPolarHBondContact CA-O 3.39Å; A66-F88 HydrophobicContact CB-CD2 4.06Å; A66-F88 HydrophobicContact CB-CE2 3.76Å; A66-W101 HydrophobicContact CB-CD2 3.88Å; A66-W101 HydrophobicContact CB-CE3 4.18Å; A66-W101 HydrophobicContact CB-CH2 3.81Å; A66-W101 HydrophobicContact CB-CZ2 3.49Å; A66-W101 VanDerWaalsContact CB-CZ2 3.49Å; A66-W101 HydrophobicContact CB-CZ3 4.14Å
67L97.4Very high90.6Very high0 Ų030.6 Ų30.60%016%0.157CC..EExtended strand (participates in β ladder)trans-129.8126-179.4-173.9150.1000109.2F51 C56 S57 I58 I69 L81 W85 S86 L87 F88F51-L67 HydrophobicContact CB-CD1 3.85Å; F51-L67 HydrophobicContact CD1-CD1 4Å; F51-L67 HydrophobicContact CD1-CD2 4.44Å; F51-L67 HydrophobicContact CG-CD1 4.09Å; C56-L67 HydrophobicContact CB-CD1 4.37Å; C56-L67 HydrophobicContact CB-CD2 4.07Å; C56-L67 HydrophobicContact CB-CG 4.12Å; S57-L67 CarbonylContact O-C 3.56Å; S57-L67 WeakPolarHBondContact O-CA 3.47Å; I58-L67 HydrophobicContact CD1-CD1 3.92Å; I58-L67 HydrophobicContact CG1-CB 4.23Å; I58-L67 HydrophobicContact CG1-CD1 3.86Å; I58-L67 HydrophobicContact CG1-CG 3.98Å; L67-I69 HydrophobicContact CD2-CB 4.45Å; L67-I69 HydrophobicContact CD2-CG2 3.41Å; L67-I69 VanDerWaalsContact CD2-CG2 3.41Å; L67-L81 HydrophobicContact CB-CD1 4.46Å; L67-L81 HydrophobicContact CD1-CD1 4.38Å; L67-L81 HydrophobicContact CD1-CD2 4.19Å; L67-L81 HydrophobicContact CD2-CD1 4.38Å; L67-W85 HydrophobicContact CB-CE3 3.94Å; L67-W85 HydrophobicContact CB-CZ3 4.32Å; L67-S86 PolarHBondContact N-O 3.44Å; L67-L87 HydrophobicContact CD2-CD1 3.67Å; L67-F88 PolarHBondContact O-N 3.36Å
68W96.3Very high90.3Very high4 Ų432.9 Ų32.92%0.01517%0.172CC..EExtended strand (participates in β ladder)trans-104.8130.7175.1-71.7-104.4000109.7C56 S57 V59 A66 F88 N90 P96 R98 W101C56-W68 CarbonylContact C-O 3.4Å; C56-W68 VanDerWaalsContact CA-O 3.23Å; C56-W68 WeakPolarHBondContact CA-O 3.41Å; C56-W68 WeakPolarHBondContact CB-O 3.38Å; S57-W68 PolarHBondContact N-O 2.95Å; S57-W68 PolarHBondContact O-N 3.09Å; V59-W68 HydrophobicContact CB-CH2 4.3Å; V59-W68 HydrophobicContact CB-CZ3 3.89Å; V59-W68 HydrophobicContact CG2-CE3 4.5Å; V59-W68 HydrophobicContact CG2-CH2 4.11Å; V59-W68 HydrophobicContact CG2-CZ3 3.66Å; A66-W68 HydrophobicContact CB-CE3 4.24Å; A66-W68 HydrophobicContact CB-CH2 3.41Å; A66-W68 VanDerWaalsContact CB-CH2 3.41Å; A66-W68 HydrophobicContact CB-CZ2 4.3Å; A66-W68 HydrophobicContact CB-CZ3 3.37Å; W68-F88 WeakPolarHBondContact CA-O 3.42Å; W68-F88 HydrophobicContact CD2-CB 4.27Å; W68-F88 HydrophobicContact CD2-CD2 4.15Å; W68-F88 AromaticContact CE2-CD2 3.61Å; W68-F88 HydrophobicContact CG-CB 3.96Å; W68-F88 HydrophobicContact CH2-CD2 4.18Å; W68-F88 HydrophobicContact CH2-CE2 4.39Å; W68-F88 AromaticContact CZ2-CD2 3.63Å; W68-F88 HydrophobicContact CZ2-CD2 3.63Å; W68-F88 HydrophobicContact CZ2-CE2 4.02Å; W68-F88 HydrophobicContact CZ2-CG 4.44Å; W68-F88 AromaticContact NE1-CD2 3.9Å; W68-F88 AromaticContact NE1-CG 3.9Å; W68-N90 WeakPolarHBondContact CB-OD1 3.5Å; W68-P96 PolarHBondContact NE1-O 2.99Å; W68-R98 HydrophobicContact CD2-CG 3.66Å; W68-R98 HydrophobicContact CE3-CG 3.81Å; W68-R98 HydrophobicContact CG-CG 4.13Å; W68-R98 HydrophobicContact CH2-CG 4.29Å; W68-R98 HydrophobicContact CZ2-CB 4.47Å; W68-R98 HydrophobicContact CZ2-CG 4.17Å; W68-R98 HydrophobicContact CZ3-CG 4.13Å; W68-W101 HydrophobicContact CH2-CB 3.74Å; W68-W101 AromaticContact CH2-CD2 3.67Å; W68-W101 HydrophobicContact CH2-CD2 3.67Å; W68-W101 AromaticContact CH2-CE3 3.75Å; W68-W101 HydrophobicContact CH2-CE3 3.75Å; W68-W101 AromaticContact CH2-CG 3.66Å; W68-W101 HydrophobicContact CH2-CG 3.66Å; W68-W101 HydrophobicContact CZ2-CB 3.52Å; W68-W101 HydrophobicContact CZ2-CD2 4.28Å; W68-W101 AromaticContact CZ2-CG 3.77Å; W68-W101 HydrophobicContact CZ2-CG 3.77Å
69I91.4Very high89.8Confident0 Ų035.4 Ų35.40%019%0.19CC..EExtended strand (participates in β ladder)trans-128.9160.5174.746.9161.7000109.2F51 C56 L67 Y73 Q74 A77 L87 F88 R89 N90F51-I69 HydrophobicContact CE1-CG2 3.89Å; F51-I69 HydrophobicContact CE2-CG2 4.44Å; F51-I69 HydrophobicContact CZ-CG2 3.72Å; C56-I69 HydrophobicContact CB-CG2 3.96Å; L67-I69 HydrophobicContact CD2-CB 4.45Å; L67-I69 HydrophobicContact CD2-CG2 3.41Å; L67-I69 VanDerWaalsContact CD2-CG2 3.41Å; I69-Y73 HydrophobicContact CB-CD2 4.5Å; I69-Y73 WeakPolarHBondContact CD1-O 3.41Å; I69-Q74 VanDerWaalsContact CD1-CA 3.48Å; I69-Q74 HydrophobicContact CD1-CB 4.29Å; I69-A77 HydrophobicContact CD1-CB 3.82Å; I69-L87 HydrophobicContact CD1-CD1 3.77Å; I69-L87 HydrophobicContact CD1-CD2 4.39Å; I69-L87 HydrophobicContact CD1-CG 4.37Å; I69-L87 HydrophobicContact CG1-CD1 3.74Å; I69-F88 WeakPolarHBondContact CG1-O 3.47Å; I69-F88 PolarHBondContact N-O 2.9Å; I69-R89 CarbonylContact O-C 3.57Å; I69-R89 VanDerWaalsContact O-CA 3.31Å; I69-R89 WeakPolarHBondContact O-CA 3.27Å; I69-N90 PolarHBondContact O-N 3.48Å; I69-N90 PolarHBondContact O-ND2 2.79Å
70D82Confident89.4Confident27 Ų2735.7 Ų35.714%0.14419%0.191CC..  trans-74166.6158.366.274.5000111R72 Y73D70-R72 PolarHBondContact O-N 3.39Å; D70-R72 WeakPolarHBondContact OD1-CA 3.42Å; D70-R72 WeakPolarHBondContact OD1-CB 3.48Å; D70-R72 WeakPolarHBondContact OD1-CD 3.44Å; D70-R72 WeakPolarHBondContact OD1-CG 3.4Å; D70-R72 IonicContact OD1-CZ 3.76Å; D70-R72 PolarHBondContact OD1-N 3.23Å; D70-R72 IonicContact OD1-NE 2.92Å; D70-R72 PolarHBondContact OD1-NE 2.7Å; D70-R72 IonicContact OD1-NH2 2.85Å; D70-R72 IonicContact OD2-CZ 3.46Å; D70-R72 IonicContact OD2-NE 3.75Å; D70-R72 PolarHBondContact OD2-NE 2.95Å; D70-R72 IonicContact OD2-NH2 3.3Å; D70-R72 PolarHBondContact OD2-NH2 2.88Å; D70-Y73 PolarHBondContact O-N 2.79Å; D70-Y73 WeakPolarHBondContact OD2-CD2 3.26Å; D70-Y73 WeakPolarHBondContact OD2-CE2 3.2Å
71G73Confident89.2Confident22 Ų2236.2 Ų36.223%0.22719%0.194CC..G310 helixtrans-57.8-19.2-176.200000115.7Y73 Q74 D91G71-Y73 VanDerWaalsContact C-N 3.33Å; G71-Y73 PolarHBondContact O-N 2.81Å; G71-Q74 PolarHBondContact O-N 2.99Å; G71-D91 PolarHBondContact N-OD1 3.02Å
72R73.7Confident89Confident77 Ų7736.4 Ų36.429%0.29120%0.195SC..G310 helixtrans-66-35.6-178.5-56.2175.4-69.6-169.5-0.5112.3D70 I450 H451D70-R72 PolarHBondContact O-N 3.39Å; D70-R72 WeakPolarHBondContact OD1-CA 3.42Å; D70-R72 WeakPolarHBondContact OD1-CB 3.48Å; D70-R72 WeakPolarHBondContact OD1-CD 3.44Å; D70-R72 WeakPolarHBondContact OD1-CG 3.4Å; D70-R72 IonicContact OD1-CZ 3.76Å; D70-R72 PolarHBondContact OD1-N 3.23Å; D70-R72 IonicContact OD1-NE 2.92Å; D70-R72 PolarHBondContact OD1-NE 2.7Å; D70-R72 IonicContact OD1-NH2 2.85Å; D70-R72 IonicContact OD2-CZ 3.46Å; D70-R72 IonicContact OD2-NE 3.75Å; D70-R72 PolarHBondContact OD2-NE 2.95Å; D70-R72 IonicContact OD2-NH2 3.3Å; D70-R72 PolarHBondContact OD2-NH2 2.88Å; R72-I450 VanDerWaalsContact CB-O 3.28Å; R72-I450 WeakPolarHBondContact CB-O 3.49Å; R72-I450 WeakPolarHBondContact CD-O 3.46Å; R72-I450 HydrophobicContact CG-CB 3.9Å; R72-I450 HydrophobicContact CG-CG2 4.15Å; R72-I450 WeakPolarHBondContact CG-O 3.3Å; R72-H451 PolarHBondContact NH1-CE1 2.74Å; R72-H451 PolarHBondContact NH1-ND1 3.25Å
73Y81.6Confident88.8Confident8 Ų840.8 Ų40.83%0.03121%0.214CC..G310 helixtrans-92.46.9-175-58.2-78.7000113.8F51 S54 I69 D70 G71 L75 Q76 A77F51-Y73 HydrophobicContact CE2-CD1 4.43Å; F51-Y73 HydrophobicContact CE2-CG 4.44Å; F51-Y73 AromaticContact CZ-CD1 3.86Å; F51-Y73 HydrophobicContact CZ-CD1 3.86Å; F51-Y73 AromaticContact CZ-CG 3.76Å; F51-Y73 HydrophobicContact CZ-CG 3.76Å; S54-Y73 PolarHBondContact OG-OH 2.72Å; I69-Y73 HydrophobicContact CB-CD2 4.5Å; I69-Y73 WeakPolarHBondContact CD1-O 3.41Å; D70-Y73 PolarHBondContact O-N 2.79Å; D70-Y73 WeakPolarHBondContact OD2-CD2 3.26Å; D70-Y73 WeakPolarHBondContact OD2-CE2 3.2Å; G71-Y73 VanDerWaalsContact C-N 3.33Å; G71-Y73 PolarHBondContact O-N 2.81Å; Y73-L75 PolarHBondContact O-N 2.86Å; Y73-Q76 PolarHBondContact O-N 2.81Å; Y73-A77 VanDerWaalsContact O-CB 3.29Å; Y73-A77 WeakPolarHBondContact O-CB 3.4Å; Y73-A77 PolarHBondContact O-N 2.95Å
74Q81.8Confident88.8Confident79 Ų7938.3 Ų38.337%0.36920%0.201SC..Hα-helixtrans-59.8-48.6-171.2-177.7-179.4-4.300112.9I69 G71 S78I69-Q74 VanDerWaalsContact CD1-CA 3.48Å; I69-Q74 HydrophobicContact CD1-CB 4.29Å; G71-Q74 PolarHBondContact O-N 2.99Å; Q74-S78 VanDerWaalsContact O-CB 3.31Å; Q74-S78 WeakPolarHBondContact O-CB 3.46Å; Q74-S78 PolarHBondContact O-N 2.98Å; Q74-S78 PolarHBondContact O-OG 3.4Å
75L78.8Confident88.8Confident123 Ų12335.9 Ų35.964%0.64419%0.189SC*.Hα-helixtrans-65.5-44.3-179.5-67.1176.1000110.9Y73 S78 S79 I449Y73-L75 PolarHBondContact O-N 2.86Å; L75-S78 PolarHBondContact O-N 3.08Å; L75-S79 WeakPolarHBondContact O-CB 3.36Å; L75-S79 PolarHBondContact O-N 2.88Å; L75-S79 VanDerWaalsContact O-N 3.11Å; L75-I449 HydrophobicContact CD1-CD1 3.86Å
76Q82.3Confident88.7Confident47 Ų4738.3 Ų38.322%0.2221%0.205CC..Hα-helixtrans-58.5-55176.7-176.9177.95.700111F51 T52 Y73 S78 S79 E80F51-Q76 HydrophobicContact CE2-CB 4.44Å; F51-Q76 HydrophobicContact CE2-CG 4.11Å; T52-Q76 PolarHBondContact OG1-NE2 3.16Å; Y73-Q76 PolarHBondContact O-N 2.81Å; Q76-S78 VanDerWaalsContact C-N 3.34Å; Q76-S78 PolarHBondContact O-N 2.82Å; Q76-S79 PolarHBondContact O-N 2.96Å; Q76-S79 PolarHBondContact O-OG 2.9Å; Q76-E80 VanDerWaalsContact CG-CD 3.44Å; Q76-E80 HydrophobicContact CG-CG 4.24Å; Q76-E80 WeakPolarHBondContact CG-OE1 3.4Å; Q76-E80 PolarHBondContact NE2-OE1 3.32Å; Q76-E80 PolarHBondContact NE2-OE2 3.44Å; Q76-E80 WeakPolarHBondContact O-CB 3.35Å; Q76-E80 WeakPolarHBondContact O-CG 3.3Å; Q76-E80 PolarHBondContact O-N 2.63Å
77A88.4Confident88.6Confident0 Ų040.9 Ų40.90%022%0.219CC..Hα-helixtrans-60.7-40.8-179.100000112.4F51 I69 Y73 S79 E80 L81 L87F51-A77 HydrophobicContact CD2-CB 3.81Å; F51-A77 HydrophobicContact CE2-CB 3.75Å; I69-A77 HydrophobicContact CD1-CB 3.82Å; Y73-A77 VanDerWaalsContact O-CB 3.29Å; Y73-A77 WeakPolarHBondContact O-CB 3.4Å; Y73-A77 PolarHBondContact O-N 2.95Å; A77-S79 PolarHBondContact O-N 2.89Å; A77-E80 PolarHBondContact O-N 3.49Å; A77-L81 HydrophobicContact CB-CD1 4.13Å; A77-L81 VanDerWaalsContact O-CB 3.25Å; A77-L81 WeakPolarHBondContact O-CB 3.28Å; A77-L81 VanDerWaalsContact O-CG 3.25Å; A77-L81 WeakPolarHBondContact O-CG 3.47Å; A77-L81 PolarHBondContact O-N 2.93Å; A77-L87 HydrophobicContact CB-CD1 3.66Å; A77-L87 HydrophobicContact CB-CD2 3.73Å; A77-L87 HydrophobicContact CB-CG 4.37Å
78S87Confident88.5Confident65 Ų6542.8 Ų42.846%0.45523%0.227SC..Hα-helixtrans-62.7-31176.7-57.70000112.5Q74 L75 Q76Q74-S78 VanDerWaalsContact O-CB 3.31Å; Q74-S78 WeakPolarHBondContact O-CB 3.46Å; Q74-S78 PolarHBondContact O-N 2.98Å; Q74-S78 PolarHBondContact O-OG 3.4Å; L75-S78 PolarHBondContact O-N 3.08Å; Q76-S78 VanDerWaalsContact C-N 3.34Å; Q76-S78 PolarHBondContact O-N 2.82Å
79S86.3Confident88.1Confident53 Ų5345.6 Ų45.637%0.37124%0.238SC..Hα-helixtrans-83.7-33.3179.178.60000113.5K3 L75 Q76 A77K3-S79 VanDerWaalsContact CE-O 3.31Å; K3-S79 WeakPolarHBondContact CE-O 3.42Å; K3-S79 WeakPolarHBondContact CG-O 3.15Å; L75-S79 WeakPolarHBondContact O-CB 3.36Å; L75-S79 PolarHBondContact O-N 2.88Å; L75-S79 VanDerWaalsContact O-N 3.11Å; Q76-S79 PolarHBondContact O-N 2.96Å; Q76-S79 PolarHBondContact O-OG 2.9Å; A77-S79 PolarHBondContact O-N 2.89Å
80E90.7Very high87.7Confident7 Ų750.2 Ų50.23%0.03326%0.262CS..Hα-helixtrans-90.3-35.1-173.2-71178.1169.400113.1M1 F51 T52 Q76 A77M1-E80 WeakPolarHBondContact CE-OE1 3.32Å; M1-E80 HydrophobicContact SD-CG 4.14Å; F51-E80 VanDerWaalsContact CA-OE2 3.28Å; F51-E80 WeakPolarHBondContact CA-OE2 3.48Å; F51-E80 VanDerWaalsContact CD2-OE2 3.32Å; F51-E80 WeakPolarHBondContact CD2-OE2 3.49Å; T52-E80 PolarHBondContact N-OE2 3.2Å; T52-E80 PolarHBondContact OG1-OE1 3.07Å; Q76-E80 VanDerWaalsContact CG-CD 3.44Å; Q76-E80 HydrophobicContact CG-CG 4.24Å; Q76-E80 WeakPolarHBondContact CG-OE1 3.4Å; Q76-E80 PolarHBondContact NE2-OE1 3.32Å; Q76-E80 PolarHBondContact NE2-OE2 3.44Å; Q76-E80 WeakPolarHBondContact O-CB 3.35Å; Q76-E80 WeakPolarHBondContact O-CG 3.3Å; Q76-E80 PolarHBondContact O-N 2.63Å; A77-E80 PolarHBondContact O-N 3.49Å
81L93.6Very high87.4Confident10 Ų1053 Ų535%0.05228%0.277CS..  trans-74.9141-177.5-65.3174.5000112K3 F51 L67 A77 W85 L87K3-L81 WeakPolarHBondContact CE-O 3.43Å; K3-L81 PolarHBondContact NZ-O 3.4Å; F51-L81 HydrophobicContact CB-CD2 3.98Å; L67-L81 HydrophobicContact CB-CD1 4.46Å; L67-L81 HydrophobicContact CD1-CD1 4.38Å; L67-L81 HydrophobicContact CD1-CD2 4.19Å; L67-L81 HydrophobicContact CD2-CD1 4.38Å; A77-L81 HydrophobicContact CB-CD1 4.13Å; A77-L81 VanDerWaalsContact O-CB 3.25Å; A77-L81 WeakPolarHBondContact O-CB 3.28Å; A77-L81 VanDerWaalsContact O-CG 3.25Å; A77-L81 WeakPolarHBondContact O-CG 3.47Å; A77-L81 PolarHBondContact O-N 2.93Å; L81-W85 HydrophobicContact CB-CB 4.3Å; L81-W85 HydrophobicContact CD1-CB 4.12Å; L81-W85 HydrophobicContact CD2-CB 4.23Å; L81-W85 HydrophobicContact CD2-CD2 4.25Å; L81-W85 HydrophobicContact CD2-CG 3.89Å; L81-W85 HydrophobicContact CG-CB 4.46Å; L81-L87 HydrophobicContact CD1-CB 4.44Å; L81-L87 HydrophobicContact CD1-CD1 3.95Å
82D94.6Very high87.6Confident6 Ų656.4 Ų56.43%0.03229%0.29CS..  trans-85.3177.5168.87415.4000111.7F5 S6 N84 W85F5-D82 WeakPolarHBondContact CA-OD2 3.43Å; S6-D82 WeakPolarHBondContact CB-OD2 3.35Å; S6-D82 PolarHBondContact N-OD2 3.06Å; S6-D82 VanDerWaalsContact OG-CG 3.25Å; S6-D82 PolarHBondContact OG-OD1 3.45Å; S6-D82 PolarHBondContact OG-OD2 2.93Å; D82-N84 PolarHBondContact O-N 3.48Å; D82-N84 VanDerWaalsContact O-N 3.08Å; D82-N84 VanDerWaalsContact OD1-CB 3.26Å; D82-N84 WeakPolarHBondContact OD1-CB 3.19Å; D82-N84 PolarHBondContact OD1-N 3.2Å; D82-N84 PolarHBondContact OD1-ND2 2.88Å; D82-N84 PolarHBondContact OD2-ND2 3.34Å; D82-W85 PolarHBondContact O-N 3.4Å; D82-W85 VanDerWaalsContact OD1-CD1 3.26Å
83E95.2Very high87.8Confident151 Ų15159.6 Ų59.671%0.70632%0.318SS*.THydrogen-bonded Turntrans-66.3-4.7-176.762.7-83.7-175.900115.4W85E83-W85 VanDerWaalsContact C-N 3.29Å
84N96.7Very high88Confident52 Ų5268.1 Ų68.128%0.27836%0.358SS..THydrogen-bonded Turntrans-80.5-10.8178.6-58.3-76.2000113.1S6 S7 L10 D82S6-N84 PolarHBondContact OG-ND2 3.05Å; S7-N84 PolarHBondContact OG-ND2 3.16Å; S7-N84 VanDerWaalsContact OG-ND2 3.12Å; L10-N84 HydrophobicContact CD1-CB 3.55Å; D82-N84 PolarHBondContact O-N 3.48Å; D82-N84 VanDerWaalsContact O-N 3.08Å; D82-N84 VanDerWaalsContact OD1-CB 3.26Å; D82-N84 WeakPolarHBondContact OD1-CB 3.19Å; D82-N84 PolarHBondContact OD1-N 3.2Å; D82-N84 PolarHBondContact OD1-ND2 2.88Å; D82-N84 PolarHBondContact OD2-ND2 3.34Å
85W97.2Very high88.4Confident22 Ų2265.4 Ų65.48%0.08335%0.349CS..  trans-110.2129.2-171.1-66.387.6000113S6 L10 I48 I58 I60 A65 L67 L81 D82 E83S6-W85 PolarHBondContact OG-NE1 3.1Å; L10-W85 HydrophobicContact CD2-CH2 4.31Å; L10-W85 HydrophobicContact CD2-CZ2 3.85Å; L10-W85 HydrophobicContact CG-CZ2 4.48Å; I48-W85 HydrophobicContact CG2-CH2 4.24Å; I58-W85 HydrophobicContact CB-CZ3 4.38Å; I58-W85 HydrophobicContact CD1-CH2 3.97Å; I58-W85 HydrophobicContact CD1-CZ3 4.02Å; I58-W85 HydrophobicContact CG1-CH2 4.34Å; I58-W85 HydrophobicContact CG1-CZ3 3.92Å; I58-W85 HydrophobicContact CG2-CH2 3.85Å; I58-W85 HydrophobicContact CG2-CZ3 3.7Å; I60-W85 HydrophobicContact CD1-CH2 3.9Å; I60-W85 HydrophobicContact CG1-CH2 4.03Å; I60-W85 HydrophobicContact CG1-CZ3 4.33Å; A65-W85 HydrophobicContact CB-CD2 4.04Å; A65-W85 HydrophobicContact CB-CE3 3.77Å; A65-W85 HydrophobicContact CB-CH2 4.19Å; A65-W85 HydrophobicContact CB-CZ2 4.4Å; A65-W85 HydrophobicContact CB-CZ3 3.87Å; L67-W85 HydrophobicContact CB-CE3 3.94Å; L67-W85 HydrophobicContact CB-CZ3 4.32Å; L81-W85 HydrophobicContact CB-CB 4.3Å; L81-W85 HydrophobicContact CD1-CB 4.12Å; L81-W85 HydrophobicContact CD2-CB 4.23Å; L81-W85 HydrophobicContact CD2-CD2 4.25Å; L81-W85 HydrophobicContact CD2-CG 3.89Å; L81-W85 HydrophobicContact CG-CB 4.46Å; D82-W85 PolarHBondContact O-N 3.4Å; D82-W85 VanDerWaalsContact OD1-CD1 3.26Å; E83-W85 VanDerWaalsContact C-N 3.29Å
86S96.6Very high89.1Confident51 Ų5161.3 Ų61.336%0.35733%0.33SS..EExtended strand (participates in β ladder)trans-83.2122162.4-65.50000109.8A65 A66 L67A65-S86 PolarHBondContact O-N 3.42Å; A66-S86 CarbonylContact C-O 3.6Å; A66-S86 VanDerWaalsContact CA-O 3.28Å; A66-S86 WeakPolarHBondContact CA-O 3.39Å; L67-S86 PolarHBondContact N-O 3.44Å
87L95.2Very high89.6Confident54 Ų5462.1 Ų62.128%0.28334%0.338SS..EExtended strand (participates in β ladder)trans-98.1125.2179.3-177.662.1000110.9L67 I69 A77 L81L67-L87 HydrophobicContact CD2-CD1 3.67Å; I69-L87 HydrophobicContact CD1-CD1 3.77Å; I69-L87 HydrophobicContact CD1-CD2 4.39Å; I69-L87 HydrophobicContact CD1-CG 4.37Å; I69-L87 HydrophobicContact CG1-CD1 3.74Å; A77-L87 HydrophobicContact CB-CD1 3.66Å; A77-L87 HydrophobicContact CB-CD2 3.73Å; A77-L87 HydrophobicContact CB-CG 4.37Å; L81-L87 HydrophobicContact CD1-CB 4.44Å; L81-L87 HydrophobicContact CD1-CD1 3.95Å
88F95.5Very high89.9Confident40 Ų4065.7 Ų65.718%0.17535%0.352CS..EExtended strand (participates in β ladder)trans-122.8151177.7-62.6-67.2000111.9A66 L67 W68 I69 A95 P96 W101A66-F88 HydrophobicContact CB-CD2 4.06Å; A66-F88 HydrophobicContact CB-CE2 3.76Å; L67-F88 PolarHBondContact O-N 3.36Å; W68-F88 WeakPolarHBondContact CA-O 3.42Å; W68-F88 HydrophobicContact CD2-CB 4.27Å; W68-F88 HydrophobicContact CD2-CD2 4.15Å; W68-F88 AromaticContact CE2-CD2 3.61Å; W68-F88 HydrophobicContact CG-CB 3.96Å; W68-F88 HydrophobicContact CH2-CD2 4.18Å; W68-F88 HydrophobicContact CH2-CE2 4.39Å; W68-F88 AromaticContact CZ2-CD2 3.63Å; W68-F88 HydrophobicContact CZ2-CD2 3.63Å; W68-F88 HydrophobicContact CZ2-CE2 4.02Å; W68-F88 HydrophobicContact CZ2-CG 4.44Å; W68-F88 AromaticContact NE1-CD2 3.9Å; W68-F88 AromaticContact NE1-CG 3.9Å; I69-F88 WeakPolarHBondContact CG1-O 3.47Å; I69-F88 PolarHBondContact N-O 2.9Å; F88-A95 HydrophobicContact CD1-CB 4.41Å; F88-P96 HydrophobicContact CD1-CG 3.96Å; F88-P96 HydrophobicContact CE1-CG 3.59Å; F88-P96 HydrophobicContact CE2-CG 4.36Å; F88-P96 HydrophobicContact CG-CG 4.49Å; F88-P96 HydrophobicContact CZ-CG 3.81Å; F88-W101 AromaticContact CE2-CD1 3.53Å; F88-W101 HydrophobicContact CE2-CG 4.27Å; F88-W101 AromaticContact CE2-NE1 3.66Å; F88-W101 AromaticContact CZ-CD1 3.69Å; F88-W101 AromaticContact CZ-NE1 3.89Å
89R88.5Confident90.3Very high63 Ų6362.8 Ų62.824%0.23833%0.331CS..EExtended strand (participates in β ladder)trans-107.4126.4177.3-83.5-177.364.5161.1-0.3110.9I69 D91 L92 A95I69-R89 CarbonylContact O-C 3.57Å; I69-R89 VanDerWaalsContact O-CA 3.31Å; I69-R89 WeakPolarHBondContact O-CA 3.27Å; R89-D91 WeakPolarHBondContact CB-OD1 3.45Å; R89-D91 IonicContact CZ-OD1 3.99Å; R89-D91 IonicContact CZ-OD2 3.52Å; R89-D91 IonicContact NE-OD1 3.94Å; R89-D91 PolarHBondContact NE-OD1 3.32Å; R89-D91 IonicContact NE-OD2 3.36Å; R89-D91 IonicContact NH2-OD1 3.06Å; R89-D91 PolarHBondContact NH2-OD1 3.47Å; R89-D91 IonicContact NH2-OD2 3.85Å; R89-D91 PolarHBondContact NH2-OD2 3.02Å; R89-D91 PolarHBondContact O-N 3.33Å; R89-L92 HydrophobicContact CB-CB 4.35Å; R89-L92 HydrophobicContact CB-CD1 3.9Å; R89-L92 HydrophobicContact CB-CG 3.85Å; R89-L92 HydrophobicContact CG-CD1 4.48Å; R89-L92 PolarHBondContact O-N 2.98Å; R89-A95 WeakPolarHBondContact O-CB 3.29Å
90N82.9Confident90.8Very high97 Ų9764 Ų6452%0.51933%0.331SS..THydrogen-bonded Turntrans-66.4-22.8179.8-72.1-39.3000113.4W68 I69W68-N90 WeakPolarHBondContact CB-OD1 3.5Å; I69-N90 PolarHBondContact O-N 3.48Å; I69-N90 PolarHBondContact O-ND2 2.79Å
91D75.5Confident91.1Very high86 Ų8664.1 Ų64.146%0.4633%0.331SS..THydrogen-bonded Turntrans-93.4-6.7-175.865.2-49.8000114G71 R89G71-D91 PolarHBondContact N-OD1 3.02Å; R89-D91 WeakPolarHBondContact CB-OD1 3.45Å; R89-D91 IonicContact CZ-OD1 3.99Å; R89-D91 IonicContact CZ-OD2 3.52Å; R89-D91 IonicContact NE-OD1 3.94Å; R89-D91 PolarHBondContact NE-OD1 3.32Å; R89-D91 IonicContact NE-OD2 3.36Å; R89-D91 IonicContact NH2-OD1 3.06Å; R89-D91 PolarHBondContact NH2-OD1 3.47Å; R89-D91 IonicContact NH2-OD2 3.85Å; R89-D91 PolarHBondContact NH2-OD2 3.02Å; R89-D91 PolarHBondContact O-N 3.33Å
92L78Confident91.3Very high93 Ų9363.8 Ų63.849%0.48733%0.33SS..  trans-93.1123.3175.5-63.6-177.2000110.7R89 E94 A95R89-L92 HydrophobicContact CB-CB 4.35Å; R89-L92 HydrophobicContact CB-CD1 3.9Å; R89-L92 HydrophobicContact CB-CG 3.85Å; R89-L92 HydrophobicContact CG-CD1 4.48Å; R89-L92 PolarHBondContact O-N 2.98Å; L92-E94 PolarHBondContact O-N 3.31Å; L92-A95 HydrophobicContact CB-CB 4.24Å; L92-A95 PolarHBondContact O-N 3.04Å
93T78.6Confident91.4Very high145 Ų14564 Ų6489%0.8933%0.331SS*.THydrogen-bonded Turntrans-65-22.5178.449.30000113.9
94E85.2Confident91.4Very high187 Ų18761.2 Ų61.287%0.87433%0.328SS*.THydrogen-bonded Turntrans-84.5-17.7179.5-59.5-172.2-172.200113.2L92L92-E94 PolarHBondContact O-N 3.31Å
95A89.4Confident91.4Very high22 Ų2259.4 Ų59.418%0.18232%0.319CS..SBendtrans-73.2135178.600000109.9F88 R89 L92 T97F88-A95 HydrophobicContact CD1-CB 4.41Å; R89-A95 WeakPolarHBondContact O-CB 3.29Å; L92-A95 HydrophobicContact CB-CB 4.24Å; L92-A95 PolarHBondContact O-N 3.04Å; A95-T97 PolarHBondContact O-N 3.41Å
96P94.2Very high91.5Very high37 Ų3759.2 Ų59.224%0.2432%0.321CS..PPolyproline II helixtrans-63137.4177.227.3-34.6000109.9W68 F88 Q100 W101W68-P96 PolarHBondContact NE1-O 2.99Å; F88-P96 HydrophobicContact CD1-CG 3.96Å; F88-P96 HydrophobicContact CE1-CG 3.59Å; F88-P96 HydrophobicContact CE2-CG 4.36Å; F88-P96 HydrophobicContact CG-CG 4.49Å; F88-P96 HydrophobicContact CZ-CG 3.81Å; P96-Q100 HydrophobicContact CB-CB 4.11Å; P96-W101 HydrophobicContact CB-CB 4.34Å; P96-W101 HydrophobicContact CG-CB 4.47Å
97T93.1Very high91.4Very high64 Ų6460.2 Ų60.239%0.39333%0.328SS..PPolyproline II helixtrans-63.2159.6167.570.90000109.9A95 V99 Q100 W101A95-T97 PolarHBondContact O-N 3.41Å; T97-V99 PolarHBondContact O-N 3.27Å; T97-V99 VanDerWaalsContact O-N 3.15Å; T97-Q100 PolarHBondContact O-N 2.72Å; T97-Q100 VanDerWaalsContact O-N 3.09Å; T97-Q100 WeakPolarHBondContact OG1-CG 3.32Å; T97-Q100 PolarHBondContact OG1-N 3.43Å; T97-Q100 VanDerWaalsContact OG1-N 3.16Å; T97-Q100 PolarHBondContact OG1-OE1 3.07Å; T97-W101 WeakPolarHBondContact O-CB 3.22Å; T97-W101 PolarHBondContact O-N 2.91Å
98R94.4Very high91.4Very high74 Ų7460.9 Ų60.928%0.27934%0.336SS..Hα-helixtrans-50.5-41.4175.6-67.1179.2-63.4-177.43.1111.9S57 V59 W68 W101 I102S57-R98 PolarHBondContact OG-NH1 3.36Å; V59-R98 HydrophobicContact CG2-CB 4.34Å; V59-R98 HydrophobicContact CG2-CG 4.44Å; W68-R98 HydrophobicContact CD2-CG 3.66Å; W68-R98 HydrophobicContact CE3-CG 3.81Å; W68-R98 HydrophobicContact CG-CG 4.13Å; W68-R98 HydrophobicContact CH2-CG 4.29Å; W68-R98 HydrophobicContact CZ2-CB 4.47Å; W68-R98 HydrophobicContact CZ2-CG 4.17Å; W68-R98 HydrophobicContact CZ3-CG 4.13Å; R98-W101 PolarHBondContact O-N 3.43Å; R98-I102 WeakPolarHBondContact O-CB 2.9Å; R98-I102 WeakPolarHBondContact O-CD1 3.23Å; R98-I102 WeakPolarHBondContact O-CG1 3.32Å; R98-I102 PolarHBondContact O-N 2.73Å
99V95.4Very high91.4Very high4 Ų460.2 Ų60.22%0.02434%0.34CS..Hα-helixtrans-69-47.1178.8172.50000111.9T97 W101 I102 V103 L127 E130 L131 V134T97-V99 PolarHBondContact O-N 3.27Å; T97-V99 VanDerWaalsContact O-N 3.15Å; V99-W101 PolarHBondContact O-N 3.3Å; V99-I102 PolarHBondContact O-N 3.14Å; V99-V103 WeakPolarHBondContact O-CG2 3.45Å; V99-V103 PolarHBondContact O-N 3.27Å; V99-L127 HydrophobicContact CG2-CD2 3.88Å; V99-E130 HydrophobicContact CB-CB 4.24Å; V99-E130 HydrophobicContact CG1-CB 4.25Å; V99-E130 HydrophobicContact CG2-CB 3.78Å; V99-L131 HydrophobicContact CG1-CB 4.02Å; V99-L131 HydrophobicContact CG1-CD1 4.04Å; V99-V134 HydrophobicContact CG1-CB 4.15Å; V99-V134 HydrophobicContact CG1-CG2 3.88Å
100Q95.9Very high91.9Very high78 Ų7857.3 Ų57.336%0.36433%0.329SS..Hα-helixtrans-57.7-41.4175.6-74.1169.9-27.500111.3P96 T97 V103 S104 V134P96-Q100 HydrophobicContact CB-CB 4.11Å; T97-Q100 PolarHBondContact O-N 2.72Å; T97-Q100 VanDerWaalsContact O-N 3.09Å; T97-Q100 WeakPolarHBondContact OG1-CG 3.32Å; T97-Q100 PolarHBondContact OG1-N 3.43Å; T97-Q100 VanDerWaalsContact OG1-N 3.16Å; T97-Q100 PolarHBondContact OG1-OE1 3.07Å; Q100-V103 PolarHBondContact O-N 2.87Å; Q100-S104 PolarHBondContact O-N 3.32Å; Q100-S104 PolarHBondContact O-OG 3.48Å; Q100-V134 HydrophobicContact CG-CG1 4.17Å; Q100-V134 HydrophobicContact CG-CG2 3.81Å
101W97.3Very high92.6Very high10 Ų1055 Ų554%0.03832%0.317CS..Hα-helixtrans-68.3-41176.8-170.588.8000112.8V59 T61 Q64 A66 W68 F88 P96 T97 R98 V99 V103 S104 S105V59-W101 HydrophobicContact CB-CE3 3.98Å; V59-W101 HydrophobicContact CB-CZ3 3.73Å; V59-W101 HydrophobicContact CG1-CE3 3.98Å; V59-W101 HydrophobicContact CG1-CZ3 3.59Å; T61-W101 HydrophobicContact CG2-CH2 3.91Å; T61-W101 HydrophobicContact CG2-CZ3 3.76Å; Q64-W101 HydrophobicContact CB-CH2 3.92Å; Q64-W101 HydrophobicContact CB-CZ2 3.79Å; A66-W101 HydrophobicContact CB-CD2 3.88Å; A66-W101 HydrophobicContact CB-CE3 4.18Å; A66-W101 HydrophobicContact CB-CH2 3.81Å; A66-W101 HydrophobicContact CB-CZ2 3.49Å; A66-W101 VanDerWaalsContact CB-CZ2 3.49Å; A66-W101 HydrophobicContact CB-CZ3 4.14Å; W68-W101 HydrophobicContact CH2-CB 3.74Å; W68-W101 AromaticContact CH2-CD2 3.67Å; W68-W101 HydrophobicContact CH2-CD2 3.67Å; W68-W101 AromaticContact CH2-CE3 3.75Å; W68-W101 HydrophobicContact CH2-CE3 3.75Å; W68-W101 AromaticContact CH2-CG 3.66Å; W68-W101 HydrophobicContact CH2-CG 3.66Å; W68-W101 HydrophobicContact CZ2-CB 3.52Å; W68-W101 HydrophobicContact CZ2-CD2 4.28Å; W68-W101 AromaticContact CZ2-CG 3.77Å; W68-W101 HydrophobicContact CZ2-CG 3.77Å; F88-W101 AromaticContact CE2-CD1 3.53Å; F88-W101 HydrophobicContact CE2-CG 4.27Å; F88-W101 AromaticContact CE2-NE1 3.66Å; F88-W101 AromaticContact CZ-CD1 3.69Å; F88-W101 AromaticContact CZ-NE1 3.89Å; P96-W101 HydrophobicContact CB-CB 4.34Å; P96-W101 HydrophobicContact CG-CB 4.47Å; T97-W101 WeakPolarHBondContact O-CB 3.22Å; T97-W101 PolarHBondContact O-N 2.91Å; R98-W101 PolarHBondContact O-N 3.43Å; V99-W101 PolarHBondContact O-N 3.3Å; W101-V103 VanDerWaalsContact C-N 3.31Å; W101-V103 PolarHBondContact O-N 3.41Å; W101-S104 PolarHBondContact O-N 3.26Å; W101-S104 PolarHBondContact O-OG 3.15Å; W101-S104 VanDerWaalsContact O-OG 3.07Å; W101-S105 WeakPolarHBondContact O-CB 3.41Å; W101-S105 PolarHBondContact O-N 2.68Å; W101-S105 PolarHBondContact O-OG 2.84Å
102I97.8Very high93.7Very high4 Ų451 Ų512%0.02130%0.295CS..Hα-helixtrans-57.8-46.5172.7-75.5162.1000110.4I26 V59 R98 V99 S104 S105 T106 I112I26-I102 HydrophobicContact CD1-CD1 3.97Å; I26-I102 HydrophobicContact CG1-CD1 4.15Å; V59-I102 HydrophobicContact CG1-CD1 4.13Å; V59-I102 HydrophobicContact CG1-CG1 3.68Å; V59-I102 HydrophobicContact CG2-CD1 4.27Å; V59-I102 HydrophobicContact CG2-CG1 4.4Å; R98-I102 WeakPolarHBondContact O-CB 2.9Å; R98-I102 WeakPolarHBondContact O-CD1 3.23Å; R98-I102 WeakPolarHBondContact O-CG1 3.32Å; R98-I102 PolarHBondContact O-N 2.73Å; V99-I102 PolarHBondContact O-N 3.14Å; I102-S104 VanDerWaalsContact C-N 3.34Å; I102-S104 PolarHBondContact O-N 2.98Å; I102-S105 PolarHBondContact O-N 2.99Å; I102-S105 PolarHBondContact O-OG 3.44Å; I102-T106 WeakPolarHBondContact O-CB 3.46Å; I102-T106 PolarHBondContact O-N 3.12Å; I102-T106 VanDerWaalsContact O-N 3.16Å; I102-T106 PolarHBondContact O-OG1 2.8Å; I102-I112 HydrophobicContact CD1-CG2 4.39Å; I102-I112 HydrophobicContact CG2-CD1 4.04Å; I102-I112 HydrophobicContact CG2-CG1 3.91Å
103V97Very high94.6Very high9 Ų946.6 Ų46.66%0.05527%0.272CS..Hα-helixtrans-65-38.6-179171.80000111.3V99 Q100 W101 L131 V134 E135 L138 R153V99-V103 WeakPolarHBondContact O-CG2 3.45Å; V99-V103 PolarHBondContact O-N 3.27Å; Q100-V103 PolarHBondContact O-N 2.87Å; W101-V103 VanDerWaalsContact C-N 3.31Å; W101-V103 PolarHBondContact O-N 3.41Å; V103-L131 HydrophobicContact CG2-CD1 3.59Å; V103-V134 HydrophobicContact CB-CG1 4.04Å; V103-V134 HydrophobicContact CG1-CG1 4.09Å; V103-V134 HydrophobicContact CG2-CB 4.43Å; V103-V134 HydrophobicContact CG2-CG1 3.92Å; V103-E135 HydrophobicContact CG2-CG 4.06Å; V103-L138 HydrophobicContact CG1-CD1 3.33Å; V103-R153 PolarHBondContact O-NH2 3.49Å
104S96Very high95.5Very high93 Ų9339.8 Ų39.865%0.6523%0.23SC*.Hα-helixtrans-77.5-28.2179.169.70000114.1Q100 W101 I102Q100-S104 PolarHBondContact O-N 3.32Å; Q100-S104 PolarHBondContact O-OG 3.48Å; W101-S104 PolarHBondContact O-N 3.26Å; W101-S104 PolarHBondContact O-OG 3.15Å; W101-S104 VanDerWaalsContact O-OG 3.07Å; I102-S104 VanDerWaalsContact C-N 3.34Å; I102-S104 PolarHBondContact O-N 2.98Å
105S96.8Very high96.1Very high14 Ų1431 Ų3110%0.09819%0.189CC..Hα-helixtrans-97.1-5.8-174.2620000115W101 I102W101-S105 WeakPolarHBondContact O-CB 3.41Å; W101-S105 PolarHBondContact O-N 2.68Å; W101-S105 PolarHBondContact O-OG 2.84Å; I102-S105 PolarHBondContact O-N 2.99Å; I102-S105 PolarHBondContact O-OG 3.44Å
106T97.8Very high96.4Very high18 Ų1830 Ų3011%0.1118%0.181CC..SBendtrans-128.1158.1-179.463.90000111.4T61 I102 I112 R153T61-T106 HydrophobicContact CG2-CG2 3.62Å; I102-T106 WeakPolarHBondContact O-CB 3.46Å; I102-T106 PolarHBondContact O-N 3.12Å; I102-T106 VanDerWaalsContact O-N 3.16Å; I102-T106 PolarHBondContact O-OG1 2.8Å; T106-I112 HydrophobicContact CG2-CD1 4.03Å; T106-R153 PolarHBondContact O-NH2 2.96Å; T106-R153 WeakPolarHBondContact OG1-CD 3.31Å; T106-R153 PolarHBondContact OG1-NE 3.31Å
107S96Very high96.5Very high73 Ų7330.4 Ų30.451%0.5118%0.177SC..  trans-73.6155.7175.454.10000111.9S110 R153S107-S110 PolarHBondContact N-OG 2.89Å; S107-S110 VanDerWaalsContact O-CB 3.27Å; S107-S110 WeakPolarHBondContact O-CB 3.41Å; S107-S110 PolarHBondContact O-N 2.92Å; S107-S110 PolarHBondContact O-OG 3.31Å; S107-S110 PolarHBondContact OG-OG 2.93Å; S107-R153 PolarHBondContact O-NE 3.27Å
108P95.1Very high96.6Very high68 Ų6827.5 Ų27.544%0.44216%0.159SC..THydrogen-bonded Turntrans-50.1143.8167.2-26.435.4000111.8S110 I140 L151P108-S110 VanDerWaalsContact C-N 3.28Å; P108-S110 PolarHBondContact O-N 3.41Å; P108-I140 HydrophobicContact CB-CD1 4.31Å; P108-I140 HydrophobicContact CG-CD1 4.33Å; P108-L151 CarbonylContact C-O 3.26Å; P108-L151 WeakPolarHBondContact CA-O 3.43Å; P108-L151 HydrophobicContact CB-CB 4.1Å; P108-L151 HydrophobicContact CB-CD2 3.96Å; P108-L151 WeakPolarHBondContact CB-O 3.37Å
109G95.2Very high96.7Very high26 Ų2624.6 Ų24.627%0.26815%0.149SC..THydrogen-bonded Turntrans77.25.2-178.800000115.5P150 L151G109-P150 WeakPolarHBondContact CA-O 3.25Å; G109-L151 VanDerWaalsContact N-C 3.33Å; G109-L151 PolarHBondContact N-O 2.97Å
110S97.8Very high96.7Very high1 Ų125.9 Ų25.91%0.00716%0.158CC..  trans-62142.5179.4-71.10000113.3S107 P108 R153 Q154S107-S110 PolarHBondContact N-OG 2.89Å; S107-S110 VanDerWaalsContact O-CB 3.27Å; S107-S110 WeakPolarHBondContact O-CB 3.41Å; S107-S110 PolarHBondContact O-N 2.92Å; S107-S110 PolarHBondContact O-OG 3.31Å; S107-S110 PolarHBondContact OG-OG 2.93Å; P108-S110 VanDerWaalsContact C-N 3.28Å; P108-S110 PolarHBondContact O-N 3.41Å; S110-R153 CarbonylContact O-C 3.59Å; S110-R153 VanDerWaalsContact O-CA 3.27Å; S110-R153 WeakPolarHBondContact O-CA 3.4Å; S110-R153 WeakPolarHBondContact O-CB 3.42Å; S110-Q154 PolarHBondContact O-N 2.94Å
111L98.1Very high96.6Very high50 Ų5024.4 Ų24.426%0.26215%0.149SC..EExtended strand (participates in β ladder)trans-95.8119.6172.8-55.1-175.4000109.7L22 Q23 G24 Q154 V156L22-L111 HydrophobicContact CD2-CB 3.85Å; Q23-L111 PolarHBondContact N-O 2.87Å; G24-L111 PolarHBondContact N-O 3.4Å; L111-Q154 HydrophobicContact CD2-CB 3.81Å; L111-Q154 HydrophobicContact CD2-CG 4.17Å; L111-V156 HydrophobicContact CB-CG2 4.04Å; L111-V156 HydrophobicContact CD2-CG2 4.14Å
112I98.2Very high96.3Very high1 Ų126.1 Ų26.11%0.00516%0.161CC..EExtended strand (participates in β ladder)trans-110.9110.2-177-48.9-58.3000108.8I26 I102 T106 Q154 L155 V156I26-I112 HydrophobicContact CD1-CG2 3.91Å; I26-I112 HydrophobicContact CG1-CG2 3.79Å; I102-I112 HydrophobicContact CD1-CG2 4.39Å; I102-I112 HydrophobicContact CG2-CD1 4.04Å; I102-I112 HydrophobicContact CG2-CG1 3.91Å; T106-I112 HydrophobicContact CG2-CD1 4.03Å; I112-Q154 PolarHBondContact N-O 2.99Å; I112-L155 HydrophobicContact CB-CD2 3.96Å; I112-L155 HydrophobicContact CG2-CD2 4.26Å; I112-L155 CarbonylContact O-C 3.54Å; I112-L155 WeakPolarHBondContact O-CA 3.45Å; I112-V156 PolarHBondContact O-N 3.21Å
113G98Very high96.1Very high0 Ų027 Ų270%017%0.171CC..EExtended strand (participates in β ladder)trans-75.8151.1-177.100000113.5G24 Y25 I26 V156G24-G113 PolarHBondContact O-N 2.87Å; Y25-G113 CarbonylContact C-O 3.42Å; Y25-G113 VanDerWaalsContact CA-O 3.3Å; Y25-G113 WeakPolarHBondContact CA-O 3.27Å; Y25-G113 WeakPolarHBondContact CD2-O 3.37Å; I26-G113 PolarHBondContact N-O 2.75Å; G113-V156 CarbonylContact C-O 3.59Å; G113-V156 VanDerWaalsContact CA-O 3.27Å; G113-V156 WeakPolarHBondContact CA-O 3.23Å
114Y97.6Very high96Very high3 Ų326.6 Ų26.61%0.01217%0.169CC..EExtended strand (participates in β ladder)trans-151154.3167.864.7-89.1000110.9I119 I124 L155 V156 N157 I158 Y321Y114-I119 HydrophobicContact CD2-CD1 4.15Å; Y114-I119 HydrophobicContact CG-CD1 4.25Å; Y114-I124 HydrophobicContact CD1-CD1 4.14Å; Y114-I124 HydrophobicContact CD2-CD1 3.62Å; Y114-I124 HydrophobicContact CD2-CG1 4.4Å; Y114-I124 HydrophobicContact CE1-CD1 3.98Å; Y114-I124 HydrophobicContact CE2-CD1 3.44Å; Y114-I124 VanDerWaalsContact CE2-CD1 3.44Å; Y114-I124 HydrophobicContact CE2-CG1 3.81Å; Y114-I124 HydrophobicContact CG-CD1 3.97Å; Y114-L155 HydrophobicContact CD1-CB 4.16Å; Y114-L155 HydrophobicContact CE1-CB 3.79Å; Y114-V156 WeakPolarHBondContact CD1-O 3.4Å; Y114-V156 VanDerWaalsContact CE1-C 3.42Å; Y114-V156 PolarHBondContact N-O 2.85Å; Y114-N157 HydrophobicContact CE1-CB 4.34Å; Y114-N157 HydrophobicContact CE2-CB 3.89Å; Y114-I158 PolarHBondContact O-N 3.48Å; Y114-Y321 HydrophobicContact CE2-CD1 4.09Å; Y114-Y321 HydrophobicContact CE2-CG 4.13Å
115D97.1Very high95.8Very high3 Ų324.7 Ų24.72%0.01615%0.149CC..  trans-85.7110.2168.9-173.6-19.9000109.3R117 Q118 N162D115-R117 PolarHBondContact O-N 3.15Å; D115-R117 WeakPolarHBondContact OD1-CB 3.37Å; D115-R117 IonicContact OD1-CZ 3.64Å; D115-R117 PolarHBondContact OD1-N 2.88Å; D115-R117 IonicContact OD1-NE 3.16Å; D115-R117 PolarHBondContact OD1-NE 2.97Å; D115-R117 VanDerWaalsContact OD1-NE 3.12Å; D115-R117 IonicContact OD1-NH2 3.32Å; D115-R117 IonicContact OD2-CZ 3.31Å; D115-R117 IonicContact OD2-NE 2.59Å; D115-R117 PolarHBondContact OD2-NE 2.89Å; D115-R117 IonicContact OD2-NH2 3.43Å; D115-R117 PolarHBondContact OD2-NH2 2.94Å; D115-Q118 HydrophobicContact CB-CG 4.44Å; D115-Q118 PolarHBondContact O-N 3.33Å; D115-N162 WeakPolarHBondContact OD2-CB 3.49Å; D115-N162 PolarHBondContact OD2-ND2 2.73Å
116G96.5Very high95.6Very high0 Ų026.4 Ų26.40%016%0.16CC..THydrogen-bonded Turntrans-63.4-9.8-178.300000114.8N157 S320 Y321 A322G116-N157 VanDerWaalsContact CA-OD1 3.23Å; G116-N157 WeakPolarHBondContact CA-OD1 3.27Å; G116-N157 PolarHBondContact N-OD1 2.95Å; G116-S320 WeakPolarHBondContact O-CB 3.44Å; G116-Y321 WeakPolarHBondContact O-CB 3.36Å; G116-Y321 PolarHBondContact O-N 2.82Å; G116-A322 PolarHBondContact O-N 3.49Å
117R96.4Very high95.4Very high45 Ų4526 Ų2617%0.1716%0.157CC..THydrogen-bonded Turntrans-78.7-29.3172.7-64.3174.9-67.1166.5-1.2112.7E32 D115 F291 S320 A322E32-R117 WeakPolarHBondContact CA-O 3.43Å; E32-R117 HydrophobicContact CB-CB 3.9Å; E32-R117 IonicContact OE2-CZ 3.32Å; E32-R117 IonicContact OE2-NH1 3.86Å; E32-R117 PolarHBondContact OE2-NH1 3.11Å; D115-R117 PolarHBondContact O-N 3.15Å; D115-R117 WeakPolarHBondContact OD1-CB 3.37Å; D115-R117 IonicContact OD1-CZ 3.64Å; D115-R117 PolarHBondContact OD1-N 2.88Å; D115-R117 IonicContact OD1-NE 3.16Å; D115-R117 PolarHBondContact OD1-NE 2.97Å; D115-R117 VanDerWaalsContact OD1-NE 3.12Å; D115-R117 IonicContact OD1-NH2 3.32Å; D115-R117 IonicContact OD2-CZ 3.31Å; D115-R117 IonicContact OD2-NE 2.59Å; D115-R117 PolarHBondContact OD2-NE 2.89Å; D115-R117 IonicContact OD2-NH2 3.43Å; D115-R117 PolarHBondContact OD2-NH2 2.94Å; R117-F291 HydrophobicContact CG-CZ 4.08Å; R117-S320 WeakPolarHBondContact O-CB 3.22Å; R117-A322 HydrophobicContact CB-CB 4.4Å; R117-A322 HydrophobicContact CG-CB 3.59Å
118Q95.3Very high95.3Very high3 Ų326.4 Ų26.41%0.01415%0.149CC..SBendtrans-95.80.9-175.1-58.7-172.8-76.300113.9P28 E30 D115 N162P28-Q118 HydrophobicContact CG-CB 3.51Å; P28-Q118 VanDerWaalsContact CG-O 3.24Å; P28-Q118 WeakPolarHBondContact CG-O 3.38Å; E30-Q118 PolarHBondContact O-NE2 3.5Å; D115-Q118 HydrophobicContact CB-CG 4.44Å; D115-Q118 PolarHBondContact O-N 3.33Å; Q118-N162 PolarHBondContact OE1-ND2 3.05Å
119I95.6Very high95.2Very high13 Ų1330.5 Ų30.57%0.06716%0.16CC..SBendtrans-128129.2179.7-53.2179.2000109.5I26 P28 Y114 I124 Y321I26-I119 HydrophobicContact CG2-CD1 4.12Å; P28-I119 HydrophobicContact CB-CG1 4.39Å; P28-I119 HydrophobicContact CG-CD1 4.4Å; P28-I119 HydrophobicContact CG-CG1 3.76Å; Y114-I119 HydrophobicContact CD2-CD1 4.15Å; Y114-I119 HydrophobicContact CG-CD1 4.25Å; I119-I124 HydrophobicContact CB-CD1 4Å; I119-I124 HydrophobicContact CB-CG1 4.23Å; I119-I124 HydrophobicContact CD1-CD1 3.91Å; I119-I124 HydrophobicContact CG2-CD1 3.62Å; I119-I124 HydrophobicContact CG2-CG1 3.79Å; I119-Y321 PolarHBondContact O-N 3.37Å
120P94.8Very high95.1Very high31 Ų3133.2 Ų33.220%0.20117%0.166CC..BIsolated β-bridgetrans-58.6145.5172.6-24.535.8000111.5F34 T122 G123 I124 A319F34-P120 HydrophobicContact CD1-CG 4.26Å; F34-P120 HydrophobicContact CE1-CG 3.77Å; F34-P120 HydrophobicContact CZ-CG 3.97Å; P120-T122 PolarHBondContact O-N 2.87Å; P120-G123 WeakPolarHBondContact O-CA 3.48Å; P120-G123 PolarHBondContact O-N 3.09Å; P120-I124 PolarHBondContact O-N 2.97Å; P120-I124 VanDerWaalsContact O-N 3.11Å; P120-A319 CarbonylContact C-O 3.49Å; P120-A319 WeakPolarHBondContact CA-O 3.28Å
121Y95.2Very high95Very high48 Ų4833.8 Ų33.819%0.18817%0.169CC..Hα-helixtrans-54.2-44.4176172.6-98.3000111.8G123 I124 E125 A319 Y321 V324 R332 F334Y121-G123 VanDerWaalsContact C-N 3.26Å; Y121-G123 PolarHBondContact O-N 3.16Å; Y121-I124 PolarHBondContact O-N 3.18Å; Y121-E125 HydrophobicContact CD1-CG 4.31Å; Y121-E125 HydrophobicContact CE1-CG 3.84Å; Y121-E125 HydrophobicContact CE2-CG 4.32Å; Y121-E125 PolarHBondContact O-N 3.42Å; Y121-A319 PolarHBondContact N-O 3.39Å; Y121-Y321 AromaticContact CD2-CD2 3.84Å; Y121-Y321 HydrophobicContact CD2-CD2 3.84Å; Y121-Y321 HydrophobicContact CD2-CE2 4.24Å; Y121-Y321 HydrophobicContact CE2-CD2 4.49Å; Y121-Y321 HydrophobicContact CE2-CE2 4.46Å; Y121-V324 HydrophobicContact CD1-CG1 4.11Å; Y121-V324 HydrophobicContact CD2-CB 3.92Å; Y121-V324 HydrophobicContact CD2-CG1 3.51Å; Y121-V324 HydrophobicContact CE1-CG1 4.43Å; Y121-V324 HydrophobicContact CE2-CG1 3.87Å; Y121-V324 HydrophobicContact CG-CB 3.96Å; Y121-V324 HydrophobicContact CG-CG1 3.65Å; Y121-V324 HydrophobicContact CG-CG2 4.05Å; Y121-R332 PolarHBondContact OH-NH1 3.39Å; Y121-F334 HydrophobicContact CD1-CE2 4.35Å; Y121-F334 AromaticContact CD1-CZ 3.93Å; Y121-F334 HydrophobicContact CD1-CZ 3.93Å; Y121-F334 HydrophobicContact CE1-CE2 4.37Å; Y121-F334 HydrophobicContact CE1-CZ 4.37Å
122T91Very high94.8Very high45 Ų4532.9 Ų32.928%0.27617%0.168SC..Hα-helixtrans-60-36175.750.40000112.2P120 E125 T126 L317P120-T122 PolarHBondContact O-N 2.87Å; T122-E125 PolarHBondContact O-N 2.96Å; T122-T126 PolarHBondContact O-N 2.89Å; T122-T126 PolarHBondContact O-OG1 3.49Å; T122-L317 PolarHBondContact OG1-O 3.15Å
123G91.9Very high94.6Very high24 Ų2434.7 Ų34.725%0.24719%0.187CC..Hα-helixtrans-64.8-42.1174.900000112.9P120 Y121 T126 L127P120-G123 WeakPolarHBondContact O-CA 3.48Å; P120-G123 PolarHBondContact O-N 3.09Å; Y121-G123 VanDerWaalsContact C-N 3.26Å; Y121-G123 PolarHBondContact O-N 3.16Å; G123-T126 PolarHBondContact O-N 3.44Å; G123-L127 WeakPolarHBondContact O-CG 3.4Å; G123-L127 PolarHBondContact O-N 3.42Å
124I95.2Very high94.5Very high0 Ų035.7 Ų35.70%019%0.194CC..Hα-helixtrans-64.4-42.4174.4-64.8-60.1000111.3Y114 I119 P120 Y121 T126 L127 K128 Y321Y114-I124 HydrophobicContact CD1-CD1 4.14Å; Y114-I124 HydrophobicContact CD2-CD1 3.62Å; Y114-I124 HydrophobicContact CD2-CG1 4.4Å; Y114-I124 HydrophobicContact CE1-CD1 3.98Å; Y114-I124 HydrophobicContact CE2-CD1 3.44Å; Y114-I124 VanDerWaalsContact CE2-CD1 3.44Å; Y114-I124 HydrophobicContact CE2-CG1 3.81Å; Y114-I124 HydrophobicContact CG-CD1 3.97Å; I119-I124 HydrophobicContact CB-CD1 4Å; I119-I124 HydrophobicContact CB-CG1 4.23Å; I119-I124 HydrophobicContact CD1-CD1 3.91Å; I119-I124 HydrophobicContact CG2-CD1 3.62Å; I119-I124 HydrophobicContact CG2-CG1 3.79Å; P120-I124 PolarHBondContact O-N 2.97Å; P120-I124 VanDerWaalsContact O-N 3.11Å; Y121-I124 PolarHBondContact O-N 3.18Å; I124-T126 VanDerWaalsContact C-N 3.31Å; I124-T126 PolarHBondContact O-N 2.98Å; I124-L127 HydrophobicContact CD1-CD1 4.41Å; I124-L127 PolarHBondContact O-N 3.37Å; I124-K128 HydrophobicContact CG2-CD 4.39Å; I124-K128 WeakPolarHBondContact O-CG 3.29Å; I124-K128 PolarHBondContact O-N 2.85Å; I124-Y321 HydrophobicContact CB-CD2 4.11Å; I124-Y321 HydrophobicContact CG1-CD2 4.04Å; I124-Y321 HydrophobicContact CG1-CG 4.32Å; I124-Y321 HydrophobicContact CG2-CD2 4.04Å; I124-Y321 HydrophobicContact CG2-CE2 4.2Å
125E92.7Very high94.4Very high52 Ų5235.6 Ų35.624%0.24319%0.193CC..Hα-helixtrans-64.4-36.4177.1-66.9-54.5118.500112.2Y121 T122 K128 K129Y121-E125 HydrophobicContact CD1-CG 4.31Å; Y121-E125 HydrophobicContact CE1-CG 3.84Å; Y121-E125 HydrophobicContact CE2-CG 4.32Å; Y121-E125 PolarHBondContact O-N 3.42Å; T122-E125 PolarHBondContact O-N 2.96Å; E125-K128 IonicContact OE1-NZ 2.73Å; E125-K128 PolarHBondContact OE1-NZ 3.25Å; E125-K129 WeakPolarHBondContact O-CG 3.45Å; E125-K129 PolarHBondContact O-N 2.9Å; E125-K129 VanDerWaalsContact O-N 3.15Å
126T91.4Very high94.2Very high51 Ų5137.6 Ų37.631%0.31321%0.21SC..Hα-helixtrans-63.9-48.3171.2-70.30000111.6T122 G123 I124 K128 K129 E130T122-T126 PolarHBondContact O-N 2.89Å; T122-T126 PolarHBondContact O-OG1 3.49Å; G123-T126 PolarHBondContact O-N 3.44Å; I124-T126 VanDerWaalsContact C-N 3.31Å; I124-T126 PolarHBondContact O-N 2.98Å; T126-K128 VanDerWaalsContact C-N 3.29Å; T126-K128 PolarHBondContact O-N 3.35Å; T126-K129 PolarHBondContact O-N 3.21Å; T126-K129 VanDerWaalsContact O-N 3.11Å; T126-E130 HydrophobicContact CG2-CG 4.29Å; T126-E130 VanDerWaalsContact CG2-OE1 3.27Å; T126-E130 WeakPolarHBondContact CG2-OE1 3.43Å; T126-E130 WeakPolarHBondContact O-CG 3.47Å; T126-E130 PolarHBondContact O-N 3.36Å
127L94.3Very high94Very high10 Ų1045 Ų455%0.05225%0.245CC..Hα-helixtrans-60.1-38.1178.5-73171.9000112.3I26 V99 G123 I124 L131 L155I26-L127 HydrophobicContact CD1-CD1 4.33Å; V99-L127 HydrophobicContact CG2-CD2 3.88Å; G123-L127 WeakPolarHBondContact O-CG 3.4Å; G123-L127 PolarHBondContact O-N 3.42Å; I124-L127 HydrophobicContact CD1-CD1 4.41Å; I124-L127 PolarHBondContact O-N 3.37Å; L127-L131 WeakPolarHBondContact O-CB 3.35Å; L127-L131 PolarHBondContact O-N 3.09Å; L127-L155 HydrophobicContact CB-CD1 3.67Å
128K94.4Very high93.8Very high81 Ų8148.2 Ų48.235%0.35226%0.264SS..Hα-helixtrans-62.7-43.2174.1-73174.9-176.7167.60112.3I124 E125 T126 L131 A132 L155I124-K128 HydrophobicContact CG2-CD 4.39Å; I124-K128 WeakPolarHBondContact O-CG 3.29Å; I124-K128 PolarHBondContact O-N 2.85Å; E125-K128 IonicContact OE1-NZ 2.73Å; E125-K128 PolarHBondContact OE1-NZ 3.25Å; T126-K128 VanDerWaalsContact C-N 3.29Å; T126-K128 PolarHBondContact O-N 3.35Å; K128-L131 PolarHBondContact O-N 3.13Å; K128-A132 WeakPolarHBondContact O-CB 3.45Å; K128-A132 PolarHBondContact O-N 3.36Å; K128-L155 HydrophobicContact CG-CD1 4.03Å
129K92.6Very high93.6Very high154 Ų15451.1 Ų51.167%0.6730%0.296SS*.Hα-helixtrans-66.9-43.9178.3-73.4174.5-177.51760111.8E125 T126 L131 A132 G133E125-K129 WeakPolarHBondContact O-CG 3.45Å; E125-K129 PolarHBondContact O-N 2.9Å; E125-K129 VanDerWaalsContact O-N 3.15Å; T126-K129 PolarHBondContact O-N 3.21Å; T126-K129 VanDerWaalsContact O-N 3.11Å; K129-L131 VanDerWaalsContact C-N 3.33Å; K129-A132 PolarHBondContact O-N 3.38Å; K129-G133 PolarHBondContact O-N 3.28Å
130E93.7Very high93.2Very high83 Ų8351.5 Ų51.539%0.38830%0.297SS..Hα-helixtrans-60.4-44.8174.5-73.4176-171.900110.7V99 T126 G133 V134V99-E130 HydrophobicContact CB-CB 4.24Å; V99-E130 HydrophobicContact CG1-CB 4.25Å; V99-E130 HydrophobicContact CG2-CB 3.78Å; T126-E130 HydrophobicContact CG2-CG 4.29Å; T126-E130 VanDerWaalsContact CG2-OE1 3.27Å; T126-E130 WeakPolarHBondContact CG2-OE1 3.43Å; T126-E130 WeakPolarHBondContact O-CG 3.47Å; T126-E130 PolarHBondContact O-N 3.36Å; E130-G133 PolarHBondContact O-N 3.07Å; E130-V134 WeakPolarHBondContact O-CG2 3.46Å; E130-V134 PolarHBondContact O-N 3.49Å
131L95.4Very high92.7Very high12 Ų1254.5 Ų54.56%0.06331%0.311CS..Hα-helixtrans-60.5-47.8177.7-17862.6000111.7V99 V103 L127 K128 K129 G133 V134 E135 R153 L155V99-L131 HydrophobicContact CG1-CB 4.02Å; V99-L131 HydrophobicContact CG1-CD1 4.04Å; V103-L131 HydrophobicContact CG2-CD1 3.59Å; L127-L131 WeakPolarHBondContact O-CB 3.35Å; L127-L131 PolarHBondContact O-N 3.09Å; K128-L131 PolarHBondContact O-N 3.13Å; K129-L131 VanDerWaalsContact C-N 3.33Å; L131-G133 VanDerWaalsContact C-N 3.28Å; L131-G133 PolarHBondContact O-N 2.72Å; L131-V134 PolarHBondContact O-N 3.46Å; L131-E135 HydrophobicContact CD1-CG 4.06Å; L131-E135 HydrophobicContact CG-CG 4.44Å; L131-E135 VanDerWaalsContact O-CB 3.3Å; L131-E135 WeakPolarHBondContact O-CB 3.48Å; L131-E135 WeakPolarHBondContact O-CG 3.47Å; L131-E135 PolarHBondContact O-N 2.91Å; L131-R153 HydrophobicContact CD1-CB 4.26Å; L131-R153 HydrophobicContact CD2-CB 4.04Å; L131-R153 WeakPolarHBondContact CD2-O 3.36Å; L131-L155 HydrophobicContact CD2-CD2 4.44Å; L131-L155 HydrophobicContact CD2-CG 4.41Å
132A93.2Very high91.9Very high31 Ų3154.4 Ų54.426%0.25632%0.316SS..Hα-helixtrans-59.3-38.5175.300000112.5K128 K129 A136 P142K128-A132 WeakPolarHBondContact O-CB 3.45Å; K128-A132 PolarHBondContact O-N 3.36Å; K129-A132 PolarHBondContact O-N 3.38Å; A132-A136 VanDerWaalsContact O-CB 3.28Å; A132-A136 WeakPolarHBondContact O-CB 3.33Å; A132-A136 PolarHBondContact O-N 3.31Å; A132-P142 HydrophobicContact CB-CG 3.93Å
133G94.2Very high91.2Very high39 Ų3957.1 Ų57.140%0.40233%0.329SS..Hα-helixtrans-64.5-51.2177.500000112.6K129 E130 L131 A136 E137K129-G133 PolarHBondContact O-N 3.28Å; E130-G133 PolarHBondContact O-N 3.07Å; L131-G133 VanDerWaalsContact C-N 3.28Å; L131-G133 PolarHBondContact O-N 2.72Å; G133-A136 PolarHBondContact O-N 2.86Å; G133-E137 PolarHBondContact O-N 3.13Å
134V95.5Very high90Very high22 Ų2259.2 Ų59.213%0.13334%0.339CS..Hα-helixtrans-66.2-39.9179.2177.70000111.5V99 Q100 V103 E130 L131 A136 E137V99-V134 HydrophobicContact CG1-CB 4.15Å; V99-V134 HydrophobicContact CG1-CG2 3.88Å; Q100-V134 HydrophobicContact CG-CG1 4.17Å; Q100-V134 HydrophobicContact CG-CG2 3.81Å; V103-V134 HydrophobicContact CB-CG1 4.04Å; V103-V134 HydrophobicContact CG1-CG1 4.09Å; V103-V134 HydrophobicContact CG2-CB 4.43Å; V103-V134 HydrophobicContact CG2-CG1 3.92Å; E130-V134 WeakPolarHBondContact O-CG2 3.46Å; E130-V134 PolarHBondContact O-N 3.49Å; L131-V134 PolarHBondContact O-N 3.46Å; V134-A136 VanDerWaalsContact C-N 3.32Å; V134-A136 PolarHBondContact O-N 3.46Å; V134-E137 WeakPolarHBondContact O-CB 3.33Å; V134-E137 PolarHBondContact O-N 3.1Å
135E95.4Very high89Confident0 Ų067.4 Ų67.40%038%0.383CS..Hα-helixtrans-66.3-34.3176.9-75.1-164.2148.600112.3V103 L131 E137 L138 G139 I140 S152 R153V103-E135 HydrophobicContact CG2-CG 4.06Å; L131-E135 HydrophobicContact CD1-CG 4.06Å; L131-E135 HydrophobicContact CG-CG 4.44Å; L131-E135 VanDerWaalsContact O-CB 3.3Å; L131-E135 WeakPolarHBondContact O-CB 3.48Å; L131-E135 WeakPolarHBondContact O-CG 3.47Å; L131-E135 PolarHBondContact O-N 2.91Å; E135-E137 VanDerWaalsContact C-N 3.31Å; E135-E137 PolarHBondContact O-N 3.43Å; E135-L138 CarbonylContact O-C 3.53Å; E135-L138 WeakPolarHBondContact O-CA 3.5Å; E135-L138 PolarHBondContact O-N 3.45Å; E135-G139 PolarHBondContact O-N 3.31Å; E135-I140 CarbonylContact C-O 3.49Å; E135-I140 HydrophobicContact CB-CB 4.02Å; E135-I140 HydrophobicContact CB-CG2 4.21Å; E135-I140 WeakPolarHBondContact CB-O 3.37Å; E135-I140 PolarHBondContact O-N 3.4Å; E135-S152 VanDerWaalsContact OE2-CA 3.29Å; E135-S152 WeakPolarHBondContact OE2-CA 3.34Å; E135-S152 WeakPolarHBondContact OE2-CB 3.25Å; E135-S152 PolarHBondContact OE2-OG 2.79Å; E135-R153 WeakPolarHBondContact OE1-CB 3.5Å; E135-R153 VanDerWaalsContact OE1-CG 3.27Å; E135-R153 WeakPolarHBondContact OE1-CG 3.25Å; E135-R153 IonicContact OE1-CZ 3.88Å; E135-R153 PolarHBondContact OE1-N 2.8Å; E135-R153 IonicContact OE1-NH1 2.84Å; E135-R153 PolarHBondContact OE1-NH1 3.49Å; E135-R153 PolarHBondContact OE2-N 3.07Å
136A93.1Very high88.2Confident45 Ų4568.5 Ų68.537%0.37241%0.409SS..Hα-helixtrans-63.4-34.5175.600000112.6A132 G133 V134 L138 G139 I140 L141A132-A136 VanDerWaalsContact O-CB 3.28Å; A132-A136 WeakPolarHBondContact O-CB 3.33Å; A132-A136 PolarHBondContact O-N 3.31Å; G133-A136 PolarHBondContact O-N 2.86Å; V134-A136 VanDerWaalsContact C-N 3.32Å; V134-A136 PolarHBondContact O-N 3.46Å; A136-L138 PolarHBondContact O-N 3.29Å; A136-G139 PolarHBondContact O-N 3.19Å; A136-I140 PolarHBondContact N-O 2.83Å; A136-L141 HydrophobicContact CB-CD2 4.11Å
137E92.9Very high87.6Confident157 Ų15772 Ų7273%0.73442%0.424SS*.Hα-helixtrans-62.9-26.4173.4-65.8177.2-175.100112.4G133 V134 E135G133-E137 PolarHBondContact O-N 3.13Å; V134-E137 WeakPolarHBondContact O-CB 3.33Å; V134-E137 PolarHBondContact O-N 3.1Å; E135-E137 VanDerWaalsContact C-N 3.31Å; E135-E137 PolarHBondContact O-N 3.43Å
138L92Very high87Confident111 Ų11176.6 Ų76.658%0.58145%0.445SS*.THydrogen-bonded Turntrans-92.25.7174.6-57.6-179.4000113.1V103 E135 A136 I140V103-L138 HydrophobicContact CG1-CD1 3.33Å; E135-L138 CarbonylContact O-C 3.53Å; E135-L138 WeakPolarHBondContact O-CA 3.5Å; E135-L138 PolarHBondContact O-N 3.45Å; A136-L138 PolarHBondContact O-N 3.29Å; L138-I140 VanDerWaalsContact C-N 3.3Å; L138-I140 PolarHBondContact O-N 3.36Å
139G90.7Very high86.7Confident65 Ų6574 Ų7467%0.6744%0.435SS*.THydrogen-bonded Turntrans75.514.2-177.500000114.6E135 A136E135-G139 PolarHBondContact O-N 3.31Å; A136-G139 PolarHBondContact O-N 3.19Å
140I88.9Confident86.5Confident20 Ų2071.7 Ų71.710%0.10344%0.436CS..  trans-98.6102.3175.9-59.8171000108.2P108 E135 A136 L138 L151P108-I140 HydrophobicContact CB-CD1 4.31Å; P108-I140 HydrophobicContact CG-CD1 4.33Å; E135-I140 CarbonylContact C-O 3.49Å; E135-I140 HydrophobicContact CB-CB 4.02Å; E135-I140 HydrophobicContact CB-CG2 4.21Å; E135-I140 WeakPolarHBondContact CB-O 3.37Å; E135-I140 PolarHBondContact O-N 3.4Å; A136-I140 PolarHBondContact N-O 2.83Å; L138-I140 VanDerWaalsContact C-N 3.3Å; L138-I140 PolarHBondContact O-N 3.36Å; I140-L151 HydrophobicContact CG2-CB 4.18Å
141L83.9Confident86.3Confident95 Ų9572.2 Ų72.250%0.49744%0.441SS..  trans-88.7133.2174.5-63.7174.7000110A136 N143 N149A136-L141 HydrophobicContact CB-CD2 4.11Å; L141-N143 VanDerWaalsContact C-N 3.33Å; L141-N143 PolarHBondContact O-N 3.04Å; L141-N149 WeakPolarHBondContact O-CB 3.09Å; L141-N149 PolarHBondContact O-ND2 3.12Å
142P76.8Confident86.2Confident45 Ų4572 Ų7229%0.29244%0.44SS..SBendtrans-65.4-33.3-173.723.1-33.3000113.5A132 N149A132-P142 HydrophobicContact CB-CG 3.93Å; P142-N149 WeakPolarHBondContact O-CB 3.24Å; P142-N149 PolarHBondContact O-N 3.28Å
143N78Confident86.4Confident103 Ų10371.1 Ų71.155%0.55143%0.43SS*.EExtended strand (participates in β ladder)trans-133.6131.5-180-73.9-20.8000111.1L141 I147L141-N143 VanDerWaalsContact C-N 3.33Å; L141-N143 PolarHBondContact O-N 3.04Å; N143-I147 WeakPolarHBondContact CA-O 3.31Å
144C66.4Low86.4Confident67 Ų6772.2 Ų72.245%0.45343%0.425SS..EExtended strand (participates in β ladder)trans-120.4119.1168.1-68.40000108.4G146 I147C144-G146 VanDerWaalsContact C-N 3.25Å; C144-G146 PolarHBondContact O-N 2.85Å; C144-I147 PolarHBondContact N-O 3.24Å; C144-I147 PolarHBondContact O-N 3.19Å
145N73.5Confident86.5Confident172 Ų17272.6 Ų72.692%0.9243%0.426SS*.THydrogen-bonded Turntrans52.136.7179.2-61.7-23.3000114.9I147N145-I147 PolarHBondContact O-N 3.13Å
146G76.8Confident86.6Confident76 Ų7674.8 Ų74.878%0.78444%0.44SS*.THydrogen-bonded Turntrans78.70.7-178.700000115C144C144-G146 VanDerWaalsContact C-N 3.25Å; C144-G146 PolarHBondContact O-N 2.85Å
147I78.9Confident86.8Confident124 Ų12474.6 Ų74.664%0.63643%0.433SS*.EExtended strand (participates in β ladder)trans-97.2127.8174.1-56174000108.3N143 C144 N145 N149N143-I147 WeakPolarHBondContact CA-O 3.31Å; C144-I147 PolarHBondContact N-O 3.24Å; C144-I147 PolarHBondContact O-N 3.19Å; N145-I147 PolarHBondContact O-N 3.13Å; I147-N149 PolarHBondContact O-N 2.88Å
148Q80.9Confident86.9Confident106 Ų10668 Ų6850%0.49540%0.402SS..EExtended strand (participates in β ladder)trans-64.9126.3175.3-164.9171.815.600109.6P150Q148-P150 WeakPolarHBondContact O-CD 3.45Å
149N87.7Confident86.8Confident27 Ų2766.6 Ų66.614%0.14440%0.399CS..PPolyproline II helixtrans-68.6120.1179.4-178-9.6000109.2L141 P142 I147 L151 S152L141-N149 WeakPolarHBondContact O-CB 3.09Å; L141-N149 PolarHBondContact O-ND2 3.12Å; P142-N149 WeakPolarHBondContact O-CB 3.24Å; P142-N149 PolarHBondContact O-N 3.28Å; I147-N149 PolarHBondContact O-N 2.88Å; N149-L151 PolarHBondContact O-N 3.42Å; N149-L151 VanDerWaalsContact O-N 3.08Å; N149-L151 WeakPolarHBondContact OD1-CB 3.28Å; N149-L151 PolarHBondContact OD1-N 3.29Å; N149-S152 WeakPolarHBondContact O-CB 3.24Å; N149-S152 PolarHBondContact O-N 3.06Å
150P87.6Confident86.5Confident106 Ų10670.1 Ų70.169%0.68840%0.403SS*.THydrogen-bonded Turntrans-64.2-15.2-179.727.3-35.9000113.3G109 Q148G109-P150 WeakPolarHBondContact CA-O 3.25Å; Q148-P150 WeakPolarHBondContact O-CD 3.45Å
151L90.9Very high86.4Confident93 Ų9371.7 Ų71.749%0.48741%0.413SS..THydrogen-bonded Turntrans-85.7-14.2174.2-60.7176.6000113.3P108 G109 I140 N149P108-L151 CarbonylContact C-O 3.26Å; P108-L151 WeakPolarHBondContact CA-O 3.43Å; P108-L151 HydrophobicContact CB-CB 4.1Å; P108-L151 HydrophobicContact CB-CD2 3.96Å; P108-L151 WeakPolarHBondContact CB-O 3.37Å; G109-L151 VanDerWaalsContact N-C 3.33Å; G109-L151 PolarHBondContact N-O 2.97Å; I140-L151 HydrophobicContact CG2-CB 4.18Å; N149-L151 PolarHBondContact O-N 3.42Å; N149-L151 VanDerWaalsContact O-N 3.08Å; N149-L151 WeakPolarHBondContact OD1-CB 3.28Å; N149-L151 PolarHBondContact OD1-N 3.29Å
152S93.5Very high86.9Confident7 Ų767.2 Ų67.25%0.04939%0.39CS..SBendtrans-78.8130.5177.7-175.60000110.1E135 N149E135-S152 VanDerWaalsContact OE2-CA 3.29Å; E135-S152 WeakPolarHBondContact OE2-CA 3.34Å; E135-S152 WeakPolarHBondContact OE2-CB 3.25Å; E135-S152 PolarHBondContact OE2-OG 2.79Å; N149-S152 WeakPolarHBondContact O-CB 3.24Å; N149-S152 PolarHBondContact O-N 3.06Å
153R96.3Very high87.9Confident13 Ų1365 Ų655%0.04938%0.376CS..  trans-66.7147.4177.3-68.7169.7-174.876.7-4.4110.3V103 T106 S107 S110 L131 E135V103-R153 PolarHBondContact O-NH2 3.49Å; T106-R153 PolarHBondContact O-NH2 2.96Å; T106-R153 WeakPolarHBondContact OG1-CD 3.31Å; T106-R153 PolarHBondContact OG1-NE 3.31Å; S107-R153 PolarHBondContact O-NE 3.27Å; S110-R153 CarbonylContact O-C 3.59Å; S110-R153 VanDerWaalsContact O-CA 3.27Å; S110-R153 WeakPolarHBondContact O-CA 3.4Å; S110-R153 WeakPolarHBondContact O-CB 3.42Å; L131-R153 HydrophobicContact CD1-CB 4.26Å; L131-R153 HydrophobicContact CD2-CB 4.04Å; L131-R153 WeakPolarHBondContact CD2-O 3.36Å; E135-R153 WeakPolarHBondContact OE1-CB 3.5Å; E135-R153 VanDerWaalsContact OE1-CG 3.27Å; E135-R153 WeakPolarHBondContact OE1-CG 3.25Å; E135-R153 IonicContact OE1-CZ 3.88Å; E135-R153 PolarHBondContact OE1-N 2.8Å; E135-R153 IonicContact OE1-NH1 2.84Å; E135-R153 PolarHBondContact OE1-NH1 3.49Å; E135-R153 PolarHBondContact OE2-N 3.07Å
154Q95.5Very high88.8Confident63 Ų6360.1 Ų60.129%0.29435%0.35SS..EExtended strand (participates in β ladder)trans-120.6132-177.1-53.5-171.94.800110.7S110 L111 I112 V156S110-Q154 PolarHBondContact O-N 2.94Å; L111-Q154 HydrophobicContact CD2-CB 3.81Å; L111-Q154 HydrophobicContact CD2-CG 4.17Å; I112-Q154 PolarHBondContact N-O 2.99Å; Q154-V156 HydrophobicContact CB-CG2 4.47Å
155L96.9Very high90.2Very high29 Ų2957.7 Ų57.715%0.15233%0.332CS..EExtended strand (participates in β ladder)trans-82.2124.8168-56.5-176.6000108.7I26 I112 Y114 L127 K128 L131I26-L155 HydrophobicContact CD1-CD2 4.02Å; I112-L155 HydrophobicContact CB-CD2 3.96Å; I112-L155 HydrophobicContact CG2-CD2 4.26Å; I112-L155 CarbonylContact O-C 3.54Å; I112-L155 WeakPolarHBondContact O-CA 3.45Å; Y114-L155 HydrophobicContact CD1-CB 4.16Å; Y114-L155 HydrophobicContact CE1-CB 3.79Å; L127-L155 HydrophobicContact CB-CD1 3.67Å; K128-L155 HydrophobicContact CG-CD1 4.03Å; L131-L155 HydrophobicContact CD2-CD2 4.44Å; L131-L155 HydrophobicContact CD2-CG 4.41Å
156V97Very high91.3Very high47 Ų4752.2 Ų52.229%0.28530%0.303SS..EExtended strand (participates in β ladder)trans-119116.6-174.3-177.10000109.9L22 L111 I112 G113 Y114 Q154 I158L22-V156 HydrophobicContact CD2-CB 4.34Å; L111-V156 HydrophobicContact CB-CG2 4.04Å; L111-V156 HydrophobicContact CD2-CG2 4.14Å; I112-V156 PolarHBondContact O-N 3.21Å; G113-V156 CarbonylContact C-O 3.59Å; G113-V156 VanDerWaalsContact CA-O 3.27Å; G113-V156 WeakPolarHBondContact CA-O 3.23Å; Y114-V156 WeakPolarHBondContact CD1-O 3.4Å; Y114-V156 VanDerWaalsContact CE1-C 3.42Å; Y114-V156 PolarHBondContact N-O 2.85Å; Q154-V156 HydrophobicContact CB-CG2 4.47Å; V156-I158 PolarHBondContact O-N 2.91Å
157N97.3Very high92.3Very high41 Ų4148.6 Ų48.622%0.21927%0.265CS..EExtended strand (participates in β ladder)trans-66.6132.4171.7-179.434.2000110.2Y114 G116 P159 Y321Y114-N157 HydrophobicContact CE1-CB 4.34Å; Y114-N157 HydrophobicContact CE2-CB 3.89Å; G116-N157 VanDerWaalsContact CA-OD1 3.23Å; G116-N157 WeakPolarHBondContact CA-OD1 3.27Å; G116-N157 PolarHBondContact N-OD1 2.95Å; N157-P159 VanDerWaalsContact O-CD 3.3Å; N157-P159 WeakPolarHBondContact O-CD 3.38Å; N157-Y321 HydrophobicContact CB-CD1 4.17Å; N157-Y321 HydrophobicContact CB-CE1 3.74Å
158I96.2Very high93Very high18 Ų1843.3 Ų43.39%0.09224%0.237CC..  trans-101.399.1171.9-52.6-173.9000107.7L22 Y25 Y114 V156 L163L22-I158 HydrophobicContact CD1-CD1 3.53Å; L22-I158 HydrophobicContact CD1-CG1 4.34Å; Y25-I158 HydrophobicContact CD2-CD1 3.96Å; Y25-I158 HydrophobicContact CE2-CD1 3.75Å; Y114-I158 PolarHBondContact O-N 3.48Å; V156-I158 PolarHBondContact O-N 2.91Å; I158-L163 HydrophobicContact CD1-CD1 3.52Å; I158-L163 HydrophobicContact CD1-CD2 4.24Å; I158-L163 HydrophobicContact CD1-CG 3.76Å; I158-L163 HydrophobicContact CG2-CD2 4.35Å
159P89.4Confident93.6Very high81 Ų8142 Ų4253%0.52623%0.234SC..THydrogen-bonded Turntrans-72151.1-17630.1-35.4000111.8N157 T161N157-P159 VanDerWaalsContact O-CD 3.3Å; N157-P159 WeakPolarHBondContact O-CD 3.38Å; P159-T161 PolarHBondContact O-N 3.37Å
160N84.4Confident94Very high139 Ų13943.4 Ų43.474%0.74325%0.246SC*.THydrogen-bonded Turntrans61.4-1166.8-51.8-33.4000117.1
161T86.1Confident94.2Very high53 Ų5338.6 Ų38.633%0.32521%0.214SC..  trans-152.4123.6-178-56.20000111.4P159 L166P159-T161 PolarHBondContact O-N 3.37Å; T161-L166 HydrophobicContact CG2-CD1 3.68Å; T161-L166 HydrophobicContact CG2-CD2 3.75Å; T161-L166 HydrophobicContact CG2-CG 3.59Å
162N95.2Very high94.1Very high1 Ų137.1 Ų37.11%0.00521%0.212CC..  trans-81127.7169.5-161.5-71.2000109.6Y25 R44 D115 Q118 I164 D165 L166Y25-N162 PolarHBondContact OH-OD1 2.95Å; R44-N162 WeakPolarHBondContact CD-OD1 3.31Å; R44-N162 VanDerWaalsContact NE-CG 3.34Å; R44-N162 PolarHBondContact NE-ND2 2.75Å; D115-N162 WeakPolarHBondContact OD2-CB 3.49Å; D115-N162 PolarHBondContact OD2-ND2 2.73Å; Q118-N162 PolarHBondContact OE1-ND2 3.05Å; N162-I164 PolarHBondContact O-N 3.06Å; N162-I164 VanDerWaalsContact OD1-CB 3.29Å; N162-I164 WeakPolarHBondContact OD1-CB 3.29Å; N162-I164 WeakPolarHBondContact OD1-CG1 3.38Å; N162-I164 PolarHBondContact OD1-N 3.38Å; N162-D165 HydrophobicContact CB-CB 4.13Å; N162-D165 WeakPolarHBondContact O-CB 3.48Å; N162-D165 PolarHBondContact O-N 3.48Å; N162-D165 VanDerWaalsContact O-N 3.14Å; N162-L166 PolarHBondContact O-N 3.35Å
163L97.7Very high93.8Very high0 Ų045.8 Ų45.80%025%0.251CS..Hα-helixtrans-66.4-26.4-178.5-61.9-171.7000112.7L13 L17 L22 Y25 I158 D165 L166 V167L13-L163 HydrophobicContact CD1-CB 3.62Å; L13-L163 HydrophobicContact CD1-CD1 4.25Å; L17-L163 HydrophobicContact CD2-CD1 3.59Å; L22-L163 HydrophobicContact CD1-CD1 4.37Å; Y25-L163 HydrophobicContact CD2-CD1 3.86Å; Y25-L163 HydrophobicContact CD2-CG 4.37Å; Y25-L163 HydrophobicContact CE2-CB 4.27Å; Y25-L163 HydrophobicContact CE2-CD1 4Å; Y25-L163 HydrophobicContact CE2-CG 4Å; Y25-L163 HydrophobicContact CG-CD1 4.46Å; I158-L163 HydrophobicContact CD1-CD1 3.52Å; I158-L163 HydrophobicContact CD1-CD2 4.24Å; I158-L163 HydrophobicContact CD1-CG 3.76Å; I158-L163 HydrophobicContact CG2-CD2 4.35Å; L163-D165 VanDerWaalsContact C-N 3.32Å; L163-L166 HydrophobicContact CD2-CD1 4.14Å; L163-L166 PolarHBondContact O-N 2.86Å; L163-V167 WeakPolarHBondContact O-CG2 3.44Å; L163-V167 PolarHBondContact O-N 3.18Å
164I97Very high93.3Very high0 Ų048.3 Ų48.30%027%0.265CS..Hα-helixtrans-68.6-36.4176-52.8-55.6000110.8L13 Y25 L27 R44 F47 I48 N162 L166 V167 W168L13-I164 HydrophobicContact CD1-CD1 4.18Å; L13-I164 HydrophobicContact CD2-CD1 3.83Å; Y25-I164 HydrophobicContact CE1-CD1 4.21Å; Y25-I164 HydrophobicContact CE1-CG1 4.09Å; L27-I164 HydrophobicContact CD1-CG1 3.9Å; L27-I164 HydrophobicContact CD2-CD1 4.03Å; L27-I164 HydrophobicContact CD2-CG1 3.77Å; L27-I164 HydrophobicContact CG-CG1 4.42Å; R44-I164 HydrophobicContact CB-CB 4.14Å; R44-I164 HydrophobicContact CB-CG1 4.38Å; R44-I164 HydrophobicContact CB-CG2 3.82Å; R44-I164 HydrophobicContact CG-CB 4.12Å; R44-I164 HydrophobicContact CG-CG2 4Å; F47-I164 HydrophobicContact CD1-CG2 3.58Å; F47-I164 HydrophobicContact CE1-CG2 4.14Å; I48-I164 HydrophobicContact CB-CD1 4.2Å; I48-I164 HydrophobicContact CB-CG2 4.4Å; I48-I164 HydrophobicContact CD1-CD1 4.27Å; I48-I164 HydrophobicContact CG1-CD1 3.97Å; N162-I164 PolarHBondContact O-N 3.06Å; N162-I164 VanDerWaalsContact OD1-CB 3.29Å; N162-I164 WeakPolarHBondContact OD1-CB 3.29Å; N162-I164 WeakPolarHBondContact OD1-CG1 3.38Å; N162-I164 PolarHBondContact OD1-N 3.38Å; I164-L166 VanDerWaalsContact C-N 3.32Å; I164-L166 PolarHBondContact O-N 3.11Å; I164-V167 PolarHBondContact O-N 2.95Å; I164-W168 WeakPolarHBondContact O-CB 3.4Å; I164-W168 PolarHBondContact O-N 3.05Å
165D95.9Very high92.6Very high16 Ų1655.2 Ų55.29%0.08630%0.298CS..Hα-helixtrans-61.5-43.5176.8-67.10.1000110.5R44 N162 L163 V167 W168 D169 R181R44-D165 IonicContact CZ-OD1 3.69Å; R44-D165 IonicContact CZ-OD2 3.46Å; R44-D165 IonicContact NE-OD1 2.75Å; R44-D165 PolarHBondContact NE-OD1 3.04Å; R44-D165 IonicContact NE-OD2 3.39Å; R44-D165 IonicContact NH2-OD1 2.6Å; R44-D165 PolarHBondContact NH2-OD1 2.64Å; R44-D165 VanDerWaalsContact NH2-OD1 3.15Å; R44-D165 IonicContact NH2-OD2 3.77Å; R44-D165 PolarHBondContact NH2-OD2 3.2Å; N162-D165 HydrophobicContact CB-CB 4.13Å; N162-D165 WeakPolarHBondContact O-CB 3.48Å; N162-D165 PolarHBondContact O-N 3.48Å; N162-D165 VanDerWaalsContact O-N 3.14Å; L163-D165 VanDerWaalsContact C-N 3.32Å; D165-V167 VanDerWaalsContact C-N 3.34Å; D165-V167 PolarHBondContact O-N 3.28Å; D165-W168 WeakPolarHBondContact O-CB 3.45Å; D165-W168 PolarHBondContact O-N 3.4Å; D165-D169 WeakPolarHBondContact O-CB 3.5Å; D165-D169 PolarHBondContact O-N 3.35Å; D165-R181 IonicContact OD1-CZ 3.73Å; D165-R181 IonicContact OD1-NH1 2.72Å; D165-R181 IonicContact OD1-NH2 3.71Å; D165-R181 PolarHBondContact OD1-NH2 2.83Å; D165-R181 IonicContact OD2-CZ 2.87Å; D165-R181 VanDerWaalsContact OD2-CZ 3.27Å; D165-R181 IonicContact OD2-NH1 3.67Å; D165-R181 PolarHBondContact OD2-NH1 3.24Å; D165-R181 IonicContact OD2-NH2 2.84Å; D165-R181 PolarHBondContact OD2-NH2 3.03Å
166L96.6Very high91.8Very high56 Ų5658.3 Ų58.329%0.29331%0.314SS..Hα-helixtrans-61.9-39.7175.3-62.4-177.9000112.7L16 T161 N162 L163 I164 S170L16-L166 HydrophobicContact CD1-CB 3.73Å; L16-L166 HydrophobicContact CD1-CD1 4.22Å; L16-L166 HydrophobicContact CD2-CD1 4.18Å; T161-L166 HydrophobicContact CG2-CD1 3.68Å; T161-L166 HydrophobicContact CG2-CD2 3.75Å; T161-L166 HydrophobicContact CG2-CG 3.59Å; N162-L166 PolarHBondContact O-N 3.35Å; L163-L166 HydrophobicContact CD2-CD1 4.14Å; L163-L166 PolarHBondContact O-N 2.86Å; I164-L166 VanDerWaalsContact C-N 3.32Å; I164-L166 PolarHBondContact O-N 3.11Å; L166-S170 VanDerWaalsContact O-CB 3.28Å; L166-S170 WeakPolarHBondContact O-CB 3.27Å; L166-S170 PolarHBondContact O-N 2.97Å; L166-S170 PolarHBondContact O-OG 2.93Å
167V96.4Very high90.7Very high0 Ų062.1 Ų62.10%033%0.328CS..Hα-helixtrans-63.8-46.4174.7175.30000110.1R9 R12 L13 L16 F47 L163 I164 D165 S170 M171R9-V167 HydrophobicContact CB-CG1 4.25Å; R12-V167 HydrophobicContact CB-CG1 3.89Å; R12-V167 HydrophobicContact CB-CG2 4.09Å; L13-V167 HydrophobicContact CB-CG2 3.89Å; L13-V167 HydrophobicContact CD1-CG2 4.25Å; L16-V167 HydrophobicContact CD1-CG2 3.73Å; F47-V167 HydrophobicContact CE1-CB 4.26Å; F47-V167 HydrophobicContact CE1-CG1 3.87Å; F47-V167 HydrophobicContact CZ-CG1 4.15Å; L163-V167 WeakPolarHBondContact O-CG2 3.44Å; L163-V167 PolarHBondContact O-N 3.18Å; I164-V167 PolarHBondContact O-N 2.95Å; D165-V167 VanDerWaalsContact C-N 3.34Å; D165-V167 PolarHBondContact O-N 3.28Å; V167-S170 PolarHBondContact O-N 2.93Å; V167-S170 PolarHBondContact O-OG 2.95Å; V167-M171 HydrophobicContact CG1-SD 4.12Å; V167-M171 WeakPolarHBondContact O-CG 3.42Å; V167-M171 PolarHBondContact O-N 3.26Å
168W95Very high89.7Confident14 Ų1465.9 Ų65.95%0.05335%0.348CS..Hα-helixtrans-58.3-51.3180-150.6-25.1000111.3F47 I164 D165 S170 M171 S172 V179 S180 R181 P182F47-W168 HydrophobicContact CB-CD2 4.02Å; F47-W168 HydrophobicContact CB-CE3 3.85Å; F47-W168 HydrophobicContact CB-CH2 3.81Å; F47-W168 HydrophobicContact CB-CZ2 3.96Å; F47-W168 HydrophobicContact CB-CZ3 3.75Å; F47-W168 HydrophobicContact CD1-CB 4.15Å; F47-W168 AromaticContact CD1-CD2 3.87Å; F47-W168 HydrophobicContact CD1-CD2 3.87Å; F47-W168 AromaticContact CD1-CE3 3.98Å; F47-W168 HydrophobicContact CD1-CE3 3.98Å; F47-W168 AromaticContact CD1-CG 3.98Å; F47-W168 HydrophobicContact CD1-CG 3.98Å; F47-W168 AromaticContact CD2-CD1 3.65Å; F47-W168 AromaticContact CD2-CD2 3.59Å; F47-W168 HydrophobicContact CD2-CD2 3.59Å; F47-W168 AromaticContact CD2-CE2 3.41Å; F47-W168 VanDerWaalsContact CD2-CE2 3.41Å; F47-W168 HydrophobicContact CD2-CE3 4.29Å; F47-W168 AromaticContact CD2-CG 3.74Å; F47-W168 HydrophobicContact CD2-CG 3.74Å; F47-W168 AromaticContact CD2-CZ2 3.99Å; F47-W168 HydrophobicContact CD2-CZ2 3.99Å; F47-W168 AromaticContact CD2-NE1 3.43Å; F47-W168 HydrophobicContact CE1-CB 3.72Å; F47-W168 HydrophobicContact CE1-CD2 4.26Å; F47-W168 AromaticContact CE1-CG 3.87Å; F47-W168 HydrophobicContact CE1-CG 3.87Å; F47-W168 HydrophobicContact CE2-CB 4.22Å; F47-W168 AromaticContact CE2-CD1 3.37Å; F47-W168 HydrophobicContact CE2-CD2 4.02Å; F47-W168 AromaticContact CE2-CG 3.62Å; F47-W168 HydrophobicContact CE2-CG 3.62Å; F47-W168 AromaticContact CE2-NE1 3.58Å; F47-W168 AromaticContact CG-CD2 3.51Å; F47-W168 HydrophobicContact CG-CD2 3.51Å; F47-W168 AromaticContact CG-CE2 3.71Å; F47-W168 AromaticContact CG-CE3 3.75Å; F47-W168 HydrophobicContact CG-CE3 3.75Å; F47-W168 AromaticContact CG-CG 3.92Å; F47-W168 HydrophobicContact CG-CG 3.92Å; F47-W168 HydrophobicContact CG-CH2 4.35Å; F47-W168 HydrophobicContact CG-CZ2 4.14Å; F47-W168 HydrophobicContact CG-CZ3 4.17Å; F47-W168 HydrophobicContact CZ-CB 3.78Å; F47-W168 AromaticContact CZ-CD1 3.81Å; F47-W168 HydrophobicContact CZ-CD2 4.35Å; F47-W168 AromaticContact CZ-CG 3.71Å; F47-W168 HydrophobicContact CZ-CG 3.71Å; I164-W168 WeakPolarHBondContact O-CB 3.4Å; I164-W168 PolarHBondContact O-N 3.05Å; D165-W168 WeakPolarHBondContact O-CB 3.45Å; D165-W168 PolarHBondContact O-N 3.4Å; W168-S170 VanDerWaalsContact C-N 3.32Å; W168-S170 PolarHBondContact O-N 3.36Å; W168-M171 PolarHBondContact O-N 3.35Å; W168-M171 VanDerWaalsContact O-N 3.09Å; W168-S172 PolarHBondContact O-N 2.97Å; W168-V179 PolarHBondContact NE1-O 3.45Å; W168-S180 PolarHBondContact NE1-O 3.33Å; W168-R181 HydrophobicContact CD2-CB 3.85Å; W168-R181 HydrophobicContact CD2-CG 3.78Å; W168-R181 HydrophobicContact CE3-CG 3.94Å; W168-R181 HydrophobicContact CG-CB 3.8Å; W168-R181 HydrophobicContact CG-CG 4.16Å; W168-R181 HydrophobicContact CH2-CG 4.5Å; W168-R181 HydrophobicContact CZ2-CG 4.36Å; W168-R181 HydrophobicContact CZ3-CG 4.3Å; W168-R181 VanDerWaalsContact NE1-CA 3.33Å; W168-P182 VanDerWaalsContact CZ2-CD 3.49Å
169D93.8Very high89.2Confident78 Ų7865.3 Ų65.342%0.41735%0.345SS..Hα-helixtrans-63.8-38-179.8-63.8-21.1000111.3D165 M171 S172D165-D169 WeakPolarHBondContact O-CB 3.5Å; D165-D169 PolarHBondContact O-N 3.35Å; D169-M171 PolarHBondContact O-N 3.44Å; D169-M171 VanDerWaalsContact O-N 3.1Å; D169-S172 WeakPolarHBondContact O-CB 3.11Å; D169-S172 PolarHBondContact O-N 3.3Å; D169-S172 VanDerWaalsContact O-N 3.16Å; D169-S172 PolarHBondContact O-OG 3.11Å
170S94.3Very high89.1Confident56 Ų5665.7 Ų65.739%0.39235%0.35SS..THydrogen-bonded Turntrans-67.1-9.8177.381.40000114.8R12 L166 V167 W168R12-S170 WeakPolarHBondContact CD-OG 3.32Å; R12-S170 PolarHBondContact NH1-O 2.89Å; R12-S170 PolarHBondContact NH1-OG 2.8Å; L166-S170 VanDerWaalsContact O-CB 3.28Å; L166-S170 WeakPolarHBondContact O-CB 3.27Å; L166-S170 PolarHBondContact O-N 2.97Å; L166-S170 PolarHBondContact O-OG 2.93Å; V167-S170 PolarHBondContact O-N 2.93Å; V167-S170 PolarHBondContact O-OG 2.95Å; W168-S170 VanDerWaalsContact C-N 3.32Å; W168-S170 PolarHBondContact O-N 3.36Å
171M93.4Very high89.4Confident6 Ų661.9 Ų61.93%0.0333%0.325CS..THydrogen-bonded Turntrans-109-3.8179-66.3-177.668.300113R9 F47 V167 W168 D169 E173 L174 V179R9-M171 HydrophobicContact CB-SD 4.36Å; R9-M171 HydrophobicContact CG-CE 3.86Å; R9-M171 HydrophobicContact CG-SD 3.66Å; F47-M171 HydrophobicContact CZ-SD 4.03Å; V167-M171 HydrophobicContact CG1-SD 4.12Å; V167-M171 WeakPolarHBondContact O-CG 3.42Å; V167-M171 PolarHBondContact O-N 3.26Å; W168-M171 PolarHBondContact O-N 3.35Å; W168-M171 VanDerWaalsContact O-N 3.09Å; D169-M171 PolarHBondContact O-N 3.44Å; D169-M171 VanDerWaalsContact O-N 3.1Å; M171-E173 PolarHBondContact O-N 2.72Å; M171-L174 HydrophobicContact CB-CD1 4.04Å; M171-L174 HydrophobicContact CE-CD1 4.1Å; M171-L174 HydrophobicContact CG-CD1 4.06Å; M171-L174 VanDerWaalsContact O-CB 3.32Å; M171-L174 WeakPolarHBondContact O-CB 3.37Å; M171-L174 PolarHBondContact O-N 3.44Å; M171-V179 HydrophobicContact CB-CB 4.04Å; M171-V179 HydrophobicContact CB-CG1 4.37Å; M171-V179 HydrophobicContact CE-CG1 3.93Å; M171-V179 VanDerWaalsContact O-CG2 3.28Å; M171-V179 WeakPolarHBondContact O-CG2 3.16Å
172S88.2Confident89.7Confident62 Ų6261.7 Ų61.743%0.43433%0.325SS..THydrogen-bonded Turntrans-59.1-30.2-174.258.10000114.4W168 D169 L174W168-S172 PolarHBondContact O-N 2.97Å; D169-S172 WeakPolarHBondContact O-CB 3.11Å; D169-S172 PolarHBondContact O-N 3.3Å; D169-S172 VanDerWaalsContact O-N 3.16Å; D169-S172 PolarHBondContact O-OG 3.11Å; S172-L174 VanDerWaalsContact C-N 3.33Å
173E86.3Confident89.5Confident188 Ų18869.1 Ų69.188%0.87936%0.363SS*.THydrogen-bonded Turntrans-83-6.3178.3-62-177.1173.700113.7M171M171-E173 PolarHBondContact O-N 2.72Å
174L87.6Confident89.3Confident67 Ų6771.6 Ų71.635%0.35137%0.372SS..SBendtrans-81.1137.7179.2-57.7176.2000110.4M171 S172 I176 V179M171-L174 HydrophobicContact CB-CD1 4.04Å; M171-L174 HydrophobicContact CE-CD1 4.1Å; M171-L174 HydrophobicContact CG-CD1 4.06Å; M171-L174 VanDerWaalsContact O-CB 3.32Å; M171-L174 WeakPolarHBondContact O-CB 3.37Å; M171-L174 PolarHBondContact O-N 3.44Å; S172-L174 VanDerWaalsContact C-N 3.33Å; L174-I176 HydrophobicContact CB-CD1 3.98Å; L174-I176 HydrophobicContact CB-CG1 4.08Å; L174-I176 HydrophobicContact CD1-CD1 4.02Å; L174-I176 PolarHBondContact O-N 2.96Å; L174-V179 HydrophobicContact CB-CG2 4.41Å; L174-V179 WeakPolarHBondContact O-CG2 3.5Å
175Q79.1Confident89.2Confident207 Ų20773.2 Ų73.297%0.96738%0.384SS*.  trans-81.260.8174.1-65.9-177.1-10.400111.2
176I80.5Confident89.2Confident95 Ų9573.1 Ų73.149%0.48738%0.384SS..SBendtrans-123.8144.5-179.1-56.1172.4000108.7L174 V179L174-I176 HydrophobicContact CB-CD1 3.98Å; L174-I176 HydrophobicContact CB-CG1 4.08Å; L174-I176 HydrophobicContact CD1-CD1 4.02Å; L174-I176 PolarHBondContact O-N 2.96Å; I176-V179 HydrophobicContact CB-CG1 3.74Å; I176-V179 HydrophobicContact CB-CG2 4.35Å; I176-V179 HydrophobicContact CG2-CG1 3.96Å; I176-V179 WeakPolarHBondContact O-CG2 3.42Å
177E73.8Confident89.3Confident127 Ų12773 Ų7359%0.59338%0.384SS*.THydrogen-bonded Turntrans-57.2139.5173.7-70.6165.8177.200111K2 V179K2-E177 IonicContact NZ-OE1 3.15Å; K2-E177 IonicContact NZ-OE2 3.83Å; K2-E177 PolarHBondContact NZ-OE2 2.86Å; E177-V179 PolarHBondContact O-N 3Å
178N76.8Confident89.4Confident120 Ų12076.2 Ų76.264%0.64241%0.405SS*.THydrogen-bonded Turntrans58.541.2174.1-54.7-29.5000114.8R9R9-N178 PolarHBondContact NH2-O 2.85Å
179V85Confident89.5Confident5 Ų576.1 Ų76.13%0.0341%0.405CS..  trans-115.4-14173.7-56.20000114.8W168 M171 L174 I176 E177W168-V179 PolarHBondContact NE1-O 3.45Å; M171-V179 HydrophobicContact CB-CB 4.04Å; M171-V179 HydrophobicContact CB-CG1 4.37Å; M171-V179 HydrophobicContact CE-CG1 3.93Å; M171-V179 VanDerWaalsContact O-CG2 3.28Å; M171-V179 WeakPolarHBondContact O-CG2 3.16Å; L174-V179 HydrophobicContact CB-CG2 4.41Å; L174-V179 WeakPolarHBondContact O-CG2 3.5Å; I176-V179 HydrophobicContact CB-CG1 3.74Å; I176-V179 HydrophobicContact CB-CG2 4.35Å; I176-V179 HydrophobicContact CG2-CG1 3.96Å; I176-V179 WeakPolarHBondContact O-CG2 3.42Å; E177-V179 PolarHBondContact O-N 3Å
180S87Confident89.7Confident89 Ų8975 Ų7562%0.62240%0.399SS*.SBendtrans-79.4124.6167.5-173.70000108.9W168 P182W168-S180 PolarHBondContact NE1-O 3.33Å; S180-P182 WeakPolarHBondContact O-CD 3.46Å
181R91.6Very high89.9Confident60 Ų6075.9 Ų75.923%0.22640%0.396CS..PPolyproline II helixtrans-70127174.1-171.5178.1176.4-1724109.7S41 R44 D165 W168S41-R181 PolarHBondContact O-NE 3.22Å; S41-R181 PolarHBondContact O-NH2 3.44Å; R44-R181 VanDerWaalsContact NH2-NH2 3.16Å; D165-R181 IonicContact OD1-CZ 3.73Å; D165-R181 IonicContact OD1-NH1 2.72Å; D165-R181 IonicContact OD1-NH2 3.71Å; D165-R181 PolarHBondContact OD1-NH2 2.83Å; D165-R181 IonicContact OD2-CZ 2.87Å; D165-R181 VanDerWaalsContact OD2-CZ 3.27Å; D165-R181 IonicContact OD2-NH1 3.67Å; D165-R181 PolarHBondContact OD2-NH1 3.24Å; D165-R181 IonicContact OD2-NH2 2.84Å; D165-R181 PolarHBondContact OD2-NH2 3.03Å; W168-R181 HydrophobicContact CD2-CB 3.85Å; W168-R181 HydrophobicContact CD2-CG 3.78Å; W168-R181 HydrophobicContact CE3-CG 3.94Å; W168-R181 HydrophobicContact CG-CB 3.8Å; W168-R181 HydrophobicContact CG-CG 4.16Å; W168-R181 HydrophobicContact CH2-CG 4.5Å; W168-R181 HydrophobicContact CZ2-CG 4.36Å; W168-R181 HydrophobicContact CZ3-CG 4.3Å; W168-R181 VanDerWaalsContact NE1-CA 3.33Å
182P91.5Very high90.1Very high48 Ų4875.9 Ų75.931%0.31240%0.396SS..PPolyproline II helixtrans-61.3144.6173.3-23.734.9000111.3S41 W168 S180S41-P182 WeakPolarHBondContact CB-O 3.27Å; W168-P182 VanDerWaalsContact CZ2-CD 3.49Å; S180-P182 WeakPolarHBondContact O-CD 3.46Å
183I91.6Very high90.5Very high157 Ų15776.5 Ų76.581%0.80540%0.398SS*.PPolyproline II helixtrans-72.3134.8174.1-60.8171.2000108.3S185I183-S185 PolarHBondContact O-N 3.41Å
184R93.7Very high91Very high53 Ų5371 Ų7120%0.238%0.378CS..PPolyproline II helixtrans-59.3131.6174.8-174.1-177.3-72.9-69.33.8110E32 D42 Y246E32-R184 IonicContact OE1-CZ 2.93Å; E32-R184 IonicContact OE1-NE 3.88Å; E32-R184 IonicContact OE1-NH2 3.45Å; E32-R184 PolarHBondContact OE1-NH2 2.68Å; D42-R184 IonicContact OD1-CZ 3.52Å; D42-R184 IonicContact OD1-NH1 2.86Å; D42-R184 IonicContact OD1-NH2 3.27Å; D42-R184 PolarHBondContact OD1-NH2 3.09Å; D42-R184 IonicContact OD2-CZ 2.75Å; D42-R184 VanDerWaalsContact OD2-CZ 3.3Å; D42-R184 IonicContact OD2-NH1 3.19Å; D42-R184 PolarHBondContact OD2-NH1 2.91Å; D42-R184 IonicContact OD2-NH2 3.31Å; D42-R184 PolarHBondContact OD2-NH2 2.57Å; R184-Y246 HydrophobicContact CG-CD2 3.83Å; R184-Y246 HydrophobicContact CG-CE2 3.54Å; R184-Y246 PolarHBondContact NH1-OH 3.07Å
185S95.4Very high91.4Very high34 Ų3472.6 Ų72.624%0.23839%0.394CS..PPolyproline II helixtrans-58.5143.4176.1-57.10000111.5I183 D238 Y246I183-S185 PolarHBondContact O-N 3.41Å; S185-D238 VanDerWaalsContact CB-O 3.26Å; S185-D238 WeakPolarHBondContact CB-O 3.44Å; S185-D238 PolarHBondContact OG-O 2.91Å; S185-Y246 WeakPolarHBondContact O-CD2 3.27Å
186S96.4Very high92.3Very high14 Ų1463.2 Ų63.210%0.09835%0.35CS..  trans-153.171.9177.536.30000107T264 Q267S186-T264 VanDerWaalsContact C-OG1 3.31Å; S186-T264 WeakPolarHBondContact CA-OG1 3.31Å; S186-Q267 PolarHBondContact O-OE1 3.38Å
187N97.5Very high93.1Very high54 Ų5458.8 Ų58.829%0.28933%0.328SS..PPolyproline II helixtrans-93.8160-173.6-64.5-38.8000110.9N237 D238 T264N187-N237 PolarHBondContact ND2-O 2.81Å; N187-D238 WeakPolarHBondContact CB-OD1 3.46Å; N187-D238 PolarHBondContact N-OD1 2.87Å; N187-D238 PolarHBondContact ND2-OD1 2.98Å; N187-T264 VanDerWaalsContact O-CG2 3.28Å; N187-T264 WeakPolarHBondContact O-CG2 3.4Å; N187-T264 PolarHBondContact O-OG1 3.49Å
188P98Very high94.2Very high67 Ų6754.4 Ų54.444%0.43532%0.317SS..PPolyproline II helixtrans-66.2153174.427.7-35.8000112.1Q267 T268P188-Q267 HydrophobicContact CB-CB 4.22Å; P188-T268 WeakPolarHBondContact CA-OG1 3.47Å
189L98.5Very high95.2Very high11 Ų1149.5 Ų49.56%0.05829%0.291CS..PPolyproline II helixtrans-91.4152.8-178.5-48.1-176.3000112.5L234 R235 F245 T264 T268 L271L189-L234 HydrophobicContact CD1-CD1 3.95Å; L189-R235 CarbonylContact C-O 3.57Å; L189-R235 WeakPolarHBondContact CA-O 3.3Å; L189-F245 HydrophobicContact CD1-CD2 4.18Å; L189-F245 HydrophobicContact CD1-CE1 4.42Å; L189-F245 HydrophobicContact CD1-CE2 4.09Å; L189-F245 HydrophobicContact CD1-CG 4.39Å; L189-F245 HydrophobicContact CD1-CZ 4.21Å; L189-F245 HydrophobicContact CD2-CB 3.45Å; L189-F245 VanDerWaalsContact CD2-CB 3.45Å; L189-F245 HydrophobicContact CD2-CD1 3.58Å; L189-F245 HydrophobicContact CD2-CD2 3.82Å; L189-F245 HydrophobicContact CD2-CE1 4.27Å; L189-F245 HydrophobicContact CD2-CE2 4.47Å; L189-F245 HydrophobicContact CD2-CG 3.32Å; L189-F245 HydrophobicContact CG-CG 4.49Å; L189-T264 HydrophobicContact CD1-CG2 4.2Å; L189-T264 HydrophobicContact CD2-CG2 3.62Å; L189-T264 HydrophobicContact CG-CG2 3.74Å; L189-T268 HydrophobicContact CB-CG2 3.73Å; L189-T268 HydrophobicContact CG-CG2 4.17Å; L189-T268 PolarHBondContact N-OG1 2.97Å; L189-L271 HydrophobicContact CD1-CD1 4.32Å; L189-L271 HydrophobicContact CD1-CD2 4.32Å
190L97.4Very high95.9Very high56 Ų5650.5 Ų50.529%0.29330%0.299SS..EExtended strand (participates in β ladder)trans-103138.8171.5-62.4175.2000110.4L234 R235 F433 M477 F550L190-L234 CarbonylContact O-C 3.49Å; L190-L234 VanDerWaalsContact O-CA 3.28Å; L190-L234 WeakPolarHBondContact O-CA 3.09Å; L190-R235 HydrophobicContact CB-CB 4.25Å; L190-R235 PolarHBondContact N-O 2.84Å; L190-R235 PolarHBondContact O-N 3.41Å; L190-F433 HydrophobicContact CD1-CD2 4.05Å; L190-F433 HydrophobicContact CD1-CE2 3.45Å; L190-F433 VanDerWaalsContact CD1-CE2 3.45Å; L190-F433 HydrophobicContact CD1-CZ 4.23Å; L190-M477 HydrophobicContact CD1-CE 3.86Å; L190-M477 HydrophobicContact CD1-SD 4.19Å; L190-F550 HydrophobicContact CD1-CZ 4.42Å
191F97.9Very high96.4Very high73 Ų7346.4 Ų46.432%0.3227%0.27SS..EExtended strand (participates in β ladder)trans-94.7122.1176.3-57.6-89.3000110.3L234 T268 L271 Y274F191-L234 HydrophobicContact CD1-CD2 3.52Å; F191-L234 HydrophobicContact CE1-CD2 3.78Å; F191-L234 HydrophobicContact CG-CD2 4.26Å; F191-T268 HydrophobicContact CE2-CG2 4.05Å; F191-T268 HydrophobicContact CZ-CG2 3.82Å; F191-L271 HydrophobicContact CE1-CD1 4.42Å; F191-Y274 AromaticContact CD1-CD1 3.83Å; F191-Y274 HydrophobicContact CD1-CD1 3.83Å; F191-Y274 AromaticContact CD1-CD2 3.57Å; F191-Y274 HydrophobicContact CD1-CD2 3.57Å; F191-Y274 HydrophobicContact CD1-CE1 4.08Å; F191-Y274 AromaticContact CD1-CE2 3.81Å; F191-Y274 HydrophobicContact CD1-CE2 3.81Å; F191-Y274 AromaticContact CD1-CG 3.57Å; F191-Y274 HydrophobicContact CD1-CG 3.57Å; F191-Y274 AromaticContact CE1-CD1 3.74Å; F191-Y274 HydrophobicContact CE1-CD1 3.74Å; F191-Y274 AromaticContact CE1-CD2 3.88Å; F191-Y274 HydrophobicContact CE1-CD2 3.88Å; F191-Y274 HydrophobicContact CE1-CE1 4.42Å; F191-Y274 AromaticContact CE1-CG 3.44Å; F191-Y274 HydrophobicContact CE1-CG 3.44Å; F191-Y274 VanDerWaalsContact CE1-CG 3.44Å
192I97.4Very high96.7Very high7 Ų745.3 Ų45.34%0.03627%0.267CS..PPolyproline II helixtrans-87.5122.7179.3-56-51.2000109.7F196 N233 R235 F550I192-F196 HydrophobicContact CG2-CD1 3.63Å; I192-F196 HydrophobicContact CG2-CE1 4.39Å; I192-N233 HydrophobicContact CB-CB 4.18Å; I192-N233 WeakPolarHBondContact CB-O 3.45Å; I192-N233 PolarHBondContact N-O 3.26Å; I192-R235 HydrophobicContact CD1-CB 4.28Å; I192-R235 HydrophobicContact CD1-CG 3.56Å; I192-R235 HydrophobicContact CG1-CG 3.62Å; I192-F550 HydrophobicContact CD1-CD1 3.81Å; I192-F550 HydrophobicContact CD1-CE1 3.78Å
193P96.9Very high97.1Very high74 Ų7448 Ų4848%0.48128%0.275SS..PPolyproline II helixtrans-70.3145-177.229.7-35.6000111.2S195 F196 S197P193-S195 PolarHBondContact O-N 2.78Å; P193-S195 VanDerWaalsContact O-N 3.14Å; P193-F196 HydrophobicContact CG-CB 4.44Å; P193-F196 PolarHBondContact O-N 3.19Å; P193-S197 PolarHBondContact O-N 3.15Å
194V97.9Very high97.4Very high74 Ų7440.5 Ų40.545%0.44824%0.237SC..Hα-helixtrans-59.5-26.5177178.50000112.2F196 S197 G198V194-F196 PolarHBondContact O-N 3.1Å; V194-S197 WeakPolarHBondContact CA-OG 3.12Å; V194-G198 WeakPolarHBondContact O-CA 3.42Å; V194-G198 PolarHBondContact O-N 3.47Å
195S96.5Very high97.7Very high99 Ų9938 Ų3869%0.69223%0.228SC*.Hα-helixtrans-58.3-27.3173.557.80000113.2P193 S349P193-S195 PolarHBondContact O-N 2.78Å; P193-S195 VanDerWaalsContact O-N 3.14Å; S195-S349 WeakPolarHBondContact O-CB 3.24Å; S195-S349 PolarHBondContact O-OG 3.26Å
196F97Very high97.8Very high11 Ų1139 Ų395%0.04823%0.23CC..Hα-helixtrans-98.1-50.5172.2174.9-121.9000111.9I192 P193 V194 G198 S349 E350 T478 A549 F550I192-F196 HydrophobicContact CG2-CD1 3.63Å; I192-F196 HydrophobicContact CG2-CE1 4.39Å; P193-F196 HydrophobicContact CG-CB 4.44Å; P193-F196 PolarHBondContact O-N 3.19Å; V194-F196 PolarHBondContact O-N 3.1Å; F196-G198 PolarHBondContact O-N 2.78Å; F196-S349 CarbonylContact O-C 3.51Å; F196-S349 WeakPolarHBondContact O-CB 3.06Å; F196-E350 HydrophobicContact CE2-CB 4.34Å; F196-E350 HydrophobicContact CE2-CG 4.28Å; F196-E350 HydrophobicContact CZ-CG 4.3Å; F196-E350 WeakPolarHBondContact O-CG 3.42Å; F196-E350 PolarHBondContact O-N 2.9Å; F196-T478 HydrophobicContact CD2-CG2 4.07Å; F196-T478 HydrophobicContact CE2-CG2 4.42Å; F196-T478 WeakPolarHBondContact CE2-O 3.42Å; F196-T478 HydrophobicContact CG-CG2 4.3Å; F196-T478 VanDerWaalsContact CZ-CA 3.42Å; F196-T478 WeakPolarHBondContact CZ-O 3.24Å; F196-A549 HydrophobicContact CZ-CB 3.95Å; F196-F550 HydrophobicContact CE1-CB 4.37Å
197S97.3Very high97.9Very high2 Ų244.2 Ų44.21%0.01425%0.248CC..Hα-helixtrans-67.9-11.6-174.768.80000114.6P193 V194 S199 N233P193-S197 PolarHBondContact O-N 3.15Å; V194-S197 WeakPolarHBondContact CA-OG 3.12Å; S197-S199 PolarHBondContact O-N 2.77Å; S197-S199 PolarHBondContact OG-O 3.2Å; S197-N233 WeakPolarHBondContact CB-OD1 3.47Å; S197-N233 PolarHBondContact OG-ND2 3.01Å; S197-N233 PolarHBondContact OG-OD1 2.77Å
198G97.6Very high98Very high35 Ų3541.6 Ų41.636%0.36123%0.234SC..SBendtrans68.9-13.317900000115.1V194 F196V194-G198 WeakPolarHBondContact O-CA 3.42Å; V194-G198 PolarHBondContact O-N 3.47Å; F196-G198 PolarHBondContact O-N 2.78Å
199S98Very high98Very high16 Ų1639.2 Ų39.211%0.11222%0.216CC..SBendtrans-153.4149.4179.453.80000111.3S197 Q203 K204 N233S197-S199 PolarHBondContact O-N 2.77Å; S197-S199 PolarHBondContact OG-O 3.2Å; S199-Q203 VanDerWaalsContact CA-OE1 3.31Å; S199-K204 VanDerWaalsContact OG-CE 3.26Å; S199-K204 WeakPolarHBondContact OG-CE 3.32Å; S199-N233 PolarHBondContact O-ND2 3.12Å
200S98.4Very high98Very high26 Ų2643.1 Ų43.118%0.18224%0.237CC..  trans-73.2161.2173.181.20000111.2Q202 Q203 K204S200-Q202 VanDerWaalsContact CB-OE1 3.24Å; S200-Q202 PolarHBondContact O-N 2.85Å; S200-Q202 PolarHBondContact OG-N 3.18Å; S200-Q202 PolarHBondContact OG-OE1 2.69Å; S200-Q203 PolarHBondContact O-N 2.92Å; S200-Q203 PolarHBondContact OG-N 2.65Å; S200-K204 WeakPolarHBondContact O-CG 3.5Å; S200-K204 PolarHBondContact O-N 3.26Å
201W98.4Very high98Very high4 Ų442.7 Ų42.72%0.01523%0.234CC..Hα-helixtrans-62.6-33.3176.467.5-101.8000111.5Q203 K204 I205 L231 F232 N233 I256 Y274 D277 Y280 V282W201-Q203 PolarHBondContact O-N 3.02Å; W201-K204 WeakPolarHBondContact O-CB 3.36Å; W201-K204 PolarHBondContact O-N 2.71Å; W201-I205 HydrophobicContact CE3-CG1 3.97Å; W201-I205 HydrophobicContact CZ3-CG1 4.28Å; W201-I205 WeakPolarHBondContact O-CG1 3.31Å; W201-I205 PolarHBondContact O-N 2.78Å; W201-L231 WeakPolarHBondContact CA-O 3.21Å; W201-L231 VanDerWaalsContact CB-O 3.26Å; W201-L231 WeakPolarHBondContact CB-O 3.18Å; W201-F232 HydrophobicContact CE3-CD1 4.43Å; W201-N233 PolarHBondContact N-ND2 3.21Å; W201-I256 HydrophobicContact CZ3-CD1 4.06Å; W201-Y274 AromaticContact CD1-CE1 3.62Å; W201-Y274 AromaticContact CD1-CZ 3.71Å; W201-Y274 AromaticContact NE1-CE1 3.86Å; W201-Y274 PolarHBondContact NE1-O 2.97Å; W201-D277 HydrophobicContact CH2-CB 4.43Å; W201-D277 HydrophobicContact CZ2-CB 4.42Å; W201-Y280 HydrophobicContact CH2-CG 4.34Å; W201-Y280 HydrophobicContact CZ3-CG 4.33Å; W201-V282 HydrophobicContact CH2-CG2 3.57Å; W201-V282 HydrophobicContact CZ2-CG2 4.48Å; W201-V282 HydrophobicContact CZ3-CG2 3.85Å
202Q98.6Very high98.1Very high36 Ų3639.2 Ų39.217%0.16822%0.219CC..Hα-helixtrans-59.4-47.6174.7-64.691.2-19.900112.2S200 K204 I205 D206 D277 Y280S200-Q202 VanDerWaalsContact CB-OE1 3.24Å; S200-Q202 PolarHBondContact O-N 2.85Å; S200-Q202 PolarHBondContact OG-N 3.18Å; S200-Q202 PolarHBondContact OG-OE1 2.69Å; Q202-K204 VanDerWaalsContact C-N 3.27Å; Q202-K204 PolarHBondContact O-N 3.17Å; Q202-I205 WeakPolarHBondContact O-CB 3.46Å; Q202-I205 PolarHBondContact O-N 3.37Å; Q202-I205 VanDerWaalsContact O-N 3.16Å; Q202-D206 PolarHBondContact O-N 3.13Å; Q202-D277 PolarHBondContact NE2-OD2 3.1Å; Q202-Y280 HydrophobicContact CB-CD1 4.5Å; Q202-Y280 HydrophobicContact CB-CD2 4Å; Q202-Y280 HydrophobicContact CB-CE1 4.1Å; Q202-Y280 HydrophobicContact CB-CE2 3.58Å; Q202-Y280 HydrophobicContact CB-CG 4.46Å; Q202-Y280 HydrophobicContact CG-CD2 3.51Å; Q202-Y280 HydrophobicContact CG-CE2 3.56Å; Q202-Y280 HydrophobicContact CG-CG 4.06Å
203Q98.5Very high98Very high105 Ų10544.7 Ų44.749%0.49124%0.243SC..Hα-helixtrans-63.1-35.9178-68.7173.8-42.500111.7S199 S200 W201 D206 R207S199-Q203 VanDerWaalsContact CA-OE1 3.31Å; S200-Q203 PolarHBondContact O-N 2.92Å; S200-Q203 PolarHBondContact OG-N 2.65Å; W201-Q203 PolarHBondContact O-N 3.02Å; Q203-D206 PolarHBondContact O-N 2.9Å; Q203-R207 WeakPolarHBondContact O-CG 3.48Å; Q203-R207 PolarHBondContact O-N 2.67Å
204K98.7Very high98Very high0 Ų045.5 Ų45.50%026%0.256CS..Hα-helixtrans-65.7-44.1174-65.3173172-172.50111S199 S200 W201 Q202 D206 R207 V208 W230 L231 N233 M342S199-K204 VanDerWaalsContact OG-CE 3.26Å; S199-K204 WeakPolarHBondContact OG-CE 3.32Å; S200-K204 WeakPolarHBondContact O-CG 3.5Å; S200-K204 PolarHBondContact O-N 3.26Å; W201-K204 WeakPolarHBondContact O-CB 3.36Å; W201-K204 PolarHBondContact O-N 2.71Å; Q202-K204 VanDerWaalsContact C-N 3.27Å; Q202-K204 PolarHBondContact O-N 3.17Å; K204-D206 VanDerWaalsContact C-N 3.33Å; K204-D206 PolarHBondContact O-N 3.21Å; K204-R207 PolarHBondContact O-N 3.36Å; K204-V208 WeakPolarHBondContact O-CG2 3.49Å; K204-V208 PolarHBondContact O-N 2.9Å; K204-W230 HydrophobicContact CB-CZ3 4.29Å; K204-W230 HydrophobicContact CD-CD2 4.39Å; K204-W230 HydrophobicContact CD-CE3 4.05Å; K204-W230 HydrophobicContact CD-CH2 3.81Å; K204-W230 HydrophobicContact CD-CZ2 4.15Å; K204-W230 HydrophobicContact CD-CZ3 3.75Å; K204-W230 HydrophobicContact CG-CH2 3.9Å; K204-W230 HydrophobicContact CG-CZ3 4.05Å; K204-W230 PolarHBondContact NZ-O 3.42Å; K204-L231 HydrophobicContact CB-CD1 3.74Å; K204-L231 WeakPolarHBondContact CD-O 3.11Å; K204-N233 PolarHBondContact NZ-OD1 2.81Å; K204-M342 HydrophobicContact CB-CE 4.25Å
205I98.8Very high97.9Very high0 Ų045.9 Ų45.90%025%0.251CS..Hα-helixtrans-59-41.7174.7-71.2-66.4000111.8W201 Q202 R207 V208 R209 L231 V251 I256 Y280W201-I205 HydrophobicContact CE3-CG1 3.97Å; W201-I205 HydrophobicContact CZ3-CG1 4.28Å; W201-I205 WeakPolarHBondContact O-CG1 3.31Å; W201-I205 PolarHBondContact O-N 2.78Å; Q202-I205 WeakPolarHBondContact O-CB 3.46Å; Q202-I205 PolarHBondContact O-N 3.37Å; Q202-I205 VanDerWaalsContact O-N 3.16Å; I205-R207 VanDerWaalsContact C-N 3.34Å; I205-R207 PolarHBondContact O-N 3.14Å; I205-V208 PolarHBondContact O-N 2.91Å; I205-R209 HydrophobicContact CG2-CG 4.26Å; I205-R209 WeakPolarHBondContact O-CB 3.42Å; I205-R209 WeakPolarHBondContact O-CG 3.33Å; I205-R209 PolarHBondContact O-N 3.05Å; I205-L231 HydrophobicContact CD1-CD1 3.98Å; I205-L231 HydrophobicContact CD1-CD2 3.84Å; I205-L231 HydrophobicContact CD1-CG 4.01Å; I205-L231 HydrophobicContact CG1-CD1 4.41Å; I205-V251 HydrophobicContact CD1-CG1 4.36Å; I205-V251 HydrophobicContact CD1-CG2 4.23Å; I205-I256 HydrophobicContact CB-CD1 4.44Å; I205-I256 HydrophobicContact CD1-CD1 3.52Å; I205-I256 HydrophobicContact CD1-CG1 4.14Å; I205-I256 HydrophobicContact CG1-CD1 3.69Å; I205-I256 HydrophobicContact CG2-CD1 3.96Å; I205-Y280 HydrophobicContact CG2-CD1 3.97Å; I205-Y280 HydrophobicContact CG2-CE1 4.19Å
206D98.7Very high97.7Very high55 Ų5542.8 Ų42.829%0.29423%0.234SC..Hα-helixtrans-62.1-42.8177.3-74.8-30.9000112.1Q202 Q203 K204 R209 N210 Y280Q202-D206 PolarHBondContact O-N 3.13Å; Q203-D206 PolarHBondContact O-N 2.9Å; K204-D206 VanDerWaalsContact C-N 3.33Å; K204-D206 PolarHBondContact O-N 3.21Å; D206-R209 PolarHBondContact O-N 2.85Å; D206-N210 WeakPolarHBondContact O-CB 3.42Å; D206-N210 PolarHBondContact O-N 3.25Å; D206-N210 PolarHBondContact O-ND2 2.81Å; D206-Y280 VanDerWaalsContact CG-OH 3.31Å; D206-Y280 WeakPolarHBondContact OD1-CE1 2.97Å; D206-Y280 PolarHBondContact OD1-OH 3.43Å; D206-Y280 PolarHBondContact OD2-OH 3.26Å
207R98.6Very high97.6Very high123 Ų12342.3 Ų42.346%0.46423%0.232SC..Hα-helixtrans-62.1-46.5175.2-70.3173.965.2-175-0.1111.2Q203 K204 I205 R209 N210 M211 M342Q203-R207 WeakPolarHBondContact O-CG 3.48Å; Q203-R207 PolarHBondContact O-N 2.67Å; K204-R207 PolarHBondContact O-N 3.36Å; I205-R207 VanDerWaalsContact C-N 3.34Å; I205-R207 PolarHBondContact O-N 3.14Å; R207-R209 PolarHBondContact O-N 2.78Å; R207-N210 PolarHBondContact O-N 3.45Å; R207-M211 WeakPolarHBondContact O-CG 3.22Å; R207-M211 PolarHBondContact O-N 2.79Å; R207-M342 HydrophobicContact CB-CE 3.57Å; R207-M342 HydrophobicContact CB-SD 3.83Å; R207-M342 HydrophobicContact CG-CE 4.44Å
208V98.8Very high97.5Very high0 Ų043.6 Ų43.60%024%0.238CC..Hα-helixtrans-57.7-50.2175.21690000110.7K204 I205 N210 M211 M212 L220 L231 V251 P338 V339 M342K204-V208 WeakPolarHBondContact O-CG2 3.49Å; K204-V208 PolarHBondContact O-N 2.9Å; I205-V208 PolarHBondContact O-N 2.91Å; V208-N210 VanDerWaalsContact C-N 3.28Å; V208-N210 PolarHBondContact O-N 3.21Å; V208-M211 WeakPolarHBondContact O-CB 3.38Å; V208-M211 PolarHBondContact O-N 3.41Å; V208-M211 VanDerWaalsContact O-N 3.13Å; V208-M212 HydrophobicContact CG1-CG 4.28Å; V208-M212 HydrophobicContact CG1-SD 3.91Å; V208-M212 VanDerWaalsContact O-CG 3.31Å; V208-M212 WeakPolarHBondContact O-CG 3.24Å; V208-M212 PolarHBondContact O-N 3.31Å; V208-L220 HydrophobicContact CG1-CD2 3.5Å; V208-L220 VanDerWaalsContact CG1-CD2 3.5Å; V208-L231 HydrophobicContact CG2-CD1 4.04Å; V208-V251 HydrophobicContact CG1-CG1 4.33Å; V208-P338 HydrophobicContact CG1-CG 4.33Å; V208-V339 HydrophobicContact CG2-CG2 3.81Å; V208-M342 HydrophobicContact CG2-CE 4.1Å; V208-M342 HydrophobicContact CG2-SD 3.76Å
209R98.5Very high97.5Very high16 Ų1642.7 Ų42.76%0.0623%0.225CC..Hα-helixtrans-62.4-34178.9-74.9175.4172.5163.1-2.4112.4I205 D206 R207 M212 K213 V251 S252 L253 N254 K255I205-R209 HydrophobicContact CG2-CG 4.26Å; I205-R209 WeakPolarHBondContact O-CB 3.42Å; I205-R209 WeakPolarHBondContact O-CG 3.33Å; I205-R209 PolarHBondContact O-N 3.05Å; D206-R209 PolarHBondContact O-N 2.85Å; R207-R209 PolarHBondContact O-N 2.78Å; R209-M212 PolarHBondContact O-N 2.93Å; R209-K213 WeakPolarHBondContact O-CB 3.32Å; R209-K213 VanDerWaalsContact O-CG 3.23Å; R209-K213 WeakPolarHBondContact O-CG 3.35Å; R209-K213 PolarHBondContact O-N 3.45Å; R209-V251 HydrophobicContact CG-CG1 4.44Å; R209-S252 PolarHBondContact NE-O 3.03Å; R209-L253 PolarHBondContact NE-O 2.93Å; R209-N254 VanDerWaalsContact NH2-C 3.33Å; R209-K255 PolarHBondContact NH2-O 2.99Å
210N98.6Very high97.5Very high93 Ų9342 Ų4250%0.49722%0.22SC..Hα-helixtrans-67.7-42.2173.9-71.1-23.7000111.8D206 R207 V208 K213 A214D206-N210 WeakPolarHBondContact O-CB 3.42Å; D206-N210 PolarHBondContact O-N 3.25Å; D206-N210 PolarHBondContact O-ND2 2.81Å; R207-N210 PolarHBondContact O-N 3.45Å; V208-N210 VanDerWaalsContact C-N 3.28Å; V208-N210 PolarHBondContact O-N 3.21Å; N210-K213 PolarHBondContact O-N 2.82Å; N210-A214 WeakPolarHBondContact O-CB 3.48Å; N210-A214 PolarHBondContact O-N 3.32Å
211M98.4Very high97.5Very high48 Ų4840.9 Ų40.924%0.23621%0.212CC..Hα-helixtrans-63.4-42.5173.2-66.2172.876.500111.4R207 V208 A214 K215 W314 P338 E341 M342R207-M211 WeakPolarHBondContact O-CG 3.22Å; R207-M211 PolarHBondContact O-N 2.79Å; V208-M211 WeakPolarHBondContact O-CB 3.38Å; V208-M211 PolarHBondContact O-N 3.41Å; V208-M211 VanDerWaalsContact O-N 3.13Å; M211-A214 PolarHBondContact O-N 3.04Å; M211-K215 PolarHBondContact O-N 3.36Å; M211-W314 HydrophobicContact CB-CH2 4.35Å; M211-W314 HydrophobicContact CB-CZ3 4.21Å; M211-P338 HydrophobicContact CB-CB 4.13Å; M211-P338 HydrophobicContact CE-CB 3.51Å; M211-P338 HydrophobicContact SD-CB 3.66Å; M211-E341 HydrophobicContact CE-CB 4.48Å; M211-E341 VanDerWaalsContact CE-OE2 3.24Å; M211-E341 WeakPolarHBondContact CE-OE2 3.44Å; M211-M342 HydrophobicContact SD-CG 3.92Å; M211-M342 HydrophobicContact SD-SD 3.68Å; M211-M342 VanDerWaalsContact SD-SD 3.68Å
212M98.1Very high97.6Very high0 Ų040.8 Ų40.80%021%0.212CC..Hα-helixtrans-58.6-48.3174.5-70.9172.967.500111.4V208 R209 A214 K215 G216 A217 L220 V251 L253 W314V208-M212 HydrophobicContact CG1-CG 4.28Å; V208-M212 HydrophobicContact CG1-SD 3.91Å; V208-M212 VanDerWaalsContact O-CG 3.31Å; V208-M212 WeakPolarHBondContact O-CG 3.24Å; V208-M212 PolarHBondContact O-N 3.31Å; R209-M212 PolarHBondContact O-N 2.93Å; M212-A214 PolarHBondContact O-N 2.68Å; M212-K215 CarbonylContact O-C 3.39Å; M212-K215 PolarHBondContact O-N 3.26Å; M212-G216 WeakPolarHBondContact O-CA 3.31Å; M212-G216 PolarHBondContact O-N 2.75Å; M212-A217 HydrophobicContact CB-CB 4.28Å; M212-A217 HydrophobicContact CG-CB 4.49Å; M212-A217 PolarHBondContact O-N 3.02Å; M212-L220 HydrophobicContact CE-CB 4.05Å; M212-L220 HydrophobicContact CG-CB 4.36Å; M212-L220 HydrophobicContact SD-CB 3.85Å; M212-V251 VanDerWaalsContact CE-O 3.3Å; M212-V251 WeakPolarHBondContact CE-O 3.26Å; M212-V251 HydrophobicContact SD-CG1 4.05Å; M212-L253 HydrophobicContact CB-CD2 4.19Å; M212-L253 HydrophobicContact CE-CD2 4.31Å; M212-W314 HydrophobicContact CG-CE3 4.22Å
213K97.2Very high97.5Very high122 Ų12239.3 Ų39.353%0.5321%0.205SC..Hα-helixtrans-58.2-46175.7-72.7167-170.2169.40111.8R209 N210 K215 G216 L253R209-K213 WeakPolarHBondContact O-CB 3.32Å; R209-K213 VanDerWaalsContact O-CG 3.23Å; R209-K213 WeakPolarHBondContact O-CG 3.35Å; R209-K213 PolarHBondContact O-N 3.45Å; N210-K213 PolarHBondContact O-N 2.82Å; K213-K215 VanDerWaalsContact C-N 3.28Å; K213-K215 PolarHBondContact O-N 3.28Å; K213-G216 PolarHBondContact O-N 3.28Å; K213-L253 HydrophobicContact CG-CD2 3.85Å
214A96.7Very high97.5Very high91 Ų9134.9 Ų34.975%0.75219%0.186SC*.Hα-helixtrans-62.7-35.1179.300000112.6N210 M211 M212 G216N210-A214 WeakPolarHBondContact O-CB 3.48Å; N210-A214 PolarHBondContact O-N 3.32Å; M211-A214 PolarHBondContact O-N 3.04Å; M212-A214 PolarHBondContact O-N 2.68Å; A214-G216 VanDerWaalsContact C-N 3.33Å
215K94.1Very high97.5Very high82 Ų8234.9 Ų34.936%0.35719%0.186SC..THydrogen-bonded Turntrans-88.11.3174.2-68.5-75.8-174.8170.20113.3M211 M212 K213 A217 R312 W314 L333 H335M211-K215 PolarHBondContact O-N 3.36Å; M212-K215 CarbonylContact O-C 3.39Å; M212-K215 PolarHBondContact O-N 3.26Å; K213-K215 VanDerWaalsContact C-N 3.28Å; K213-K215 PolarHBondContact O-N 3.28Å; K215-A217 PolarHBondContact O-N 2.8Å; K215-R312 PolarHBondContact O-NH1 3.32Å; K215-R312 PolarHBondContact O-NH2 3.4Å; K215-W314 HydrophobicContact CB-CE3 4.26Å; K215-W314 HydrophobicContact CB-CH2 4.45Å; K215-W314 HydrophobicContact CB-CZ3 3.92Å; K215-W314 HydrophobicContact CG-CE3 4.45Å; K215-W314 HydrophobicContact CG-CH2 3.77Å; K215-W314 HydrophobicContact CG-CZ3 3.73Å; K215-L333 HydrophobicContact CB-CD2 4.02Å; K215-H335 PolarHBondContact NZ-CD2 2.82Å; K215-H335 PolarHBondContact NZ-NE2 3.48Å
216G93.6Very high97.5Very high33 Ų3335.7 Ų35.734%0.3419%0.191SC..THydrogen-bonded Turntrans50.739.7-173.900000113.9M212 K213 A214 R312M212-G216 WeakPolarHBondContact O-CA 3.31Å; M212-G216 PolarHBondContact O-N 2.75Å; K213-G216 PolarHBondContact O-N 3.28Å; A214-G216 VanDerWaalsContact C-N 3.33Å; G216-R312 PolarHBondContact O-NE 3.36Å; G216-R312 PolarHBondContact O-NH2 3.34Å
217A95.4Very high97.4Very high1 Ų133.6 Ų33.61%0.00818%0.179CC..  trans-91136.8170.100000109.8M212 K215 W314 L333M212-A217 HydrophobicContact CB-CB 4.28Å; M212-A217 HydrophobicContact CG-CB 4.49Å; M212-A217 PolarHBondContact O-N 3.02Å; K215-A217 PolarHBondContact O-N 2.8Å; A217-W314 HydrophobicContact CB-CB 3.93Å; A217-W314 HydrophobicContact CB-CE3 4.06Å; A217-L333 HydrophobicContact CB-CD2 4.08Å
218E94.5Very high97.5Very high29 Ų2927.8 Ų27.814%0.13616%0.157CC..SBendtrans-101.8-29-180-60.1-166.4165.800112S252 S301 K304 S311 R312E218-S252 WeakPolarHBondContact O-CA 3.45Å; E218-S301 PolarHBondContact OE2-OG 3.06Å; E218-K304 IonicContact OE1-NZ 3.47Å; E218-K304 PolarHBondContact OE1-NZ 3.38Å; E218-S311 WeakPolarHBondContact OE2-CB 3.46Å; E218-S311 PolarHBondContact OE2-OG 2.96Å; E218-R312 PolarHBondContact N-O 3.19Å
219L97.3Very high97.5Very high17 Ų1727.8 Ų27.89%0.08916%0.157CC..EExtended strand (participates in β ladder)trans-126141.2173.2-60.2177.5000109.4I250 V251 A297 V298 R312 V313 W314L219-I250 HydrophobicContact CD2-CG2 4.03Å; L219-V251 CarbonylContact C-O 3.55Å; L219-V251 WeakPolarHBondContact CA-O 3.36Å; L219-A297 HydrophobicContact CD1-CB 4.32Å; L219-V298 HydrophobicContact CD1-CG2 4.43Å; L219-R312 PolarHBondContact N-O 3.38Å; L219-V313 HydrophobicContact CB-CG1 4.16Å; L219-V313 HydrophobicContact CB-CG2 4.34Å; L219-V313 HydrophobicContact CD1-CG2 4.31Å; L219-V313 CarbonylContact O-C 3.49Å; L219-V313 WeakPolarHBondContact O-CA 3.41Å; L219-W314 PolarHBondContact O-N 3.45Å
220L98.6Very high97.5Very high1 Ų127.2 Ų27.21%0.00516%0.155CC..EExtended strand (participates in β ladder)trans-118126.4165.4168.468.2000107.4V208 M212 L222 I250 V251 W314 P338 V339V208-L220 HydrophobicContact CG1-CD2 3.5Å; V208-L220 VanDerWaalsContact CG1-CD2 3.5Å; M212-L220 HydrophobicContact CE-CB 4.05Å; M212-L220 HydrophobicContact CG-CB 4.36Å; M212-L220 HydrophobicContact SD-CB 3.85Å; L220-L222 HydrophobicContact CD1-CD2 4.12Å; L220-L222 HydrophobicContact CD2-CD1 4.38Å; L220-L222 HydrophobicContact CD2-CD2 3.97Å; L220-L222 HydrophobicContact CD2-CG 4.22Å; L220-L222 HydrophobicContact CG-CD2 3.94Å; L220-L222 HydrophobicContact CG-CG 4.11Å; L220-I250 WeakPolarHBondContact O-CA 3.28Å; L220-V251 HydrophobicContact CB-CB 4.31Å; L220-V251 PolarHBondContact N-O 2.69Å; L220-V251 PolarHBondContact O-N 3.47Å; L220-W314 HydrophobicContact CD1-CB 3.91Å; L220-W314 HydrophobicContact CD1-CD2 4.4Å; L220-W314 HydrophobicContact CD1-CG 3.94Å; L220-P338 HydrophobicContact CD1-CG 4.08Å; L220-P338 HydrophobicContact CD2-CG 3.6Å; L220-P338 HydrophobicContact CG-CG 4.49Å; L220-V339 HydrophobicContact CD2-CG2 4.36Å
221V98.7Very high97.5Very high2 Ų222.8 Ų22.81%0.01213%0.132CC..EExtended strand (participates in β ladder)trans-104.3118.4179.5-176.10000109F290 L294 V313 W314 L315 I323V221-F290 HydrophobicContact CG1-CE2 4.06Å; V221-F290 HydrophobicContact CG1-CZ 3.66Å; V221-L294 HydrophobicContact CG2-CD1 3.69Å; V221-V313 HydrophobicContact CG2-CG1 3.59Å; V221-W314 PolarHBondContact N-O 2.85Å; V221-L315 HydrophobicContact CB-CD2 4.08Å; V221-L315 HydrophobicContact CG2-CD2 4.31Å; V221-I323 HydrophobicContact CG1-CG2 4.04Å
222L98.7Very high97.5Very high3 Ų320.5 Ų20.52%0.01612%0.12CC..EExtended strand (participates in β ladder)trans-110.6131.6179-59.6176.3000110.3L220 E227 I228 L231 Y248 A249 V251 V339L220-L222 HydrophobicContact CD1-CD2 4.12Å; L220-L222 HydrophobicContact CD2-CD1 4.38Å; L220-L222 HydrophobicContact CD2-CD2 3.97Å; L220-L222 HydrophobicContact CD2-CG 4.22Å; L220-L222 HydrophobicContact CG-CD2 3.94Å; L220-L222 HydrophobicContact CG-CG 4.11Å; L222-E227 WeakPolarHBondContact CD2-OE2 3.18Å; L222-I228 HydrophobicContact CB-CD1 4.36Å; L222-I228 HydrophobicContact CB-CG1 3.9Å; L222-L231 HydrophobicContact CD1-CD2 3.53Å; L222-Y248 WeakPolarHBondContact O-CA 3.32Å; L222-A249 HydrophobicContact CB-CB 4.22Å; L222-A249 HydrophobicContact CD1-CB 4.44Å; L222-A249 PolarHBondContact N-O 3.22Å; L222-A249 PolarHBondContact O-N 2.94Å; L222-V251 HydrophobicContact CD1-CG2 4.39Å; L222-V339 HydrophobicContact CD1-CG2 4.01Å; L222-V339 HydrophobicContact CD2-CG2 4.11Å
223Y97.9Very high97.5Very high4 Ų420.5 Ų20.52%0.01612%0.12CC..  trans-138.1-21.4178.752.4-91.1000112.1H33 F34 L225 D316 S318 A319 I323H33-Y223 PolarHBondContact ND1-O 2.84Å; F34-Y223 HydrophobicContact CD2-CD2 4.33Å; F34-Y223 HydrophobicContact CD2-CE2 4.1Å; F34-Y223 HydrophobicContact CE2-CE2 4.46Å; Y223-L225 PolarHBondContact O-N 3.49Å; Y223-D316 WeakPolarHBondContact OH-CB 3.46Å; Y223-S318 WeakPolarHBondContact CE2-OG 3.24Å; Y223-S318 PolarHBondContact OH-OG 2.79Å; Y223-A319 HydrophobicContact CE1-CB 3.82Å; Y223-A319 VanDerWaalsContact CZ-CA 3.43Å; Y223-A319 WeakPolarHBondContact OH-CA 3.49Å; Y223-A319 PolarHBondContact OH-N 3.11Å; Y223-I323 HydrophobicContact CD1-CD1 3.51Å; Y223-I323 HydrophobicContact CE1-CD1 4.27Å; Y223-I323 HydrophobicContact CG-CD1 3.73Å
224A97.9Very high97.6Very high12 Ų1214.7 Ų14.710%0.09910%0.095CC..  trans-64.9119170.600000109.2D226 E227 I228A224-D226 VanDerWaalsContact C-N 3.31Å; A224-D226 PolarHBondContact O-N 3.44Å; A224-E227 HydrophobicContact CB-CB 4.18Å; A224-E227 HydrophobicContact CB-CG 3.88Å; A224-E227 WeakPolarHBondContact O-CB 3.27Å; A224-E227 PolarHBondContact O-N 2.94Å; A224-I228 PolarHBondContact O-N 3.01Å
225L98.4Very high97.6Very high0 Ų010.5 Ų10.50%06%0.06CC..Hα-helixtrans-68.5-32.4-168.7-59.2-173.7000112.6H33 N35 Y223 I228 A229 I239 V244 F245 Y246 A247H33-L225 HydrophobicContact CB-CD1 4.33Å; H33-L225 HydrophobicContact CB-CD2 4.22Å; H33-L225 HydrophobicContact CB-CG 3.91Å; H33-L225 VanDerWaalsContact ND1-CD2 3.32Å; H33-L225 WeakPolarHBondContact ND1-CD2 3.45Å; N35-L225 WeakPolarHBondContact ND2-CD1 3.15Å; N35-L225 WeakPolarHBondContact OD1-CD1 3.26Å; Y223-L225 PolarHBondContact O-N 3.49Å; L225-I228 PolarHBondContact O-N 3.06Å; L225-A229 WeakPolarHBondContact O-CB 3.42Å; L225-A229 PolarHBondContact O-N 3.33Å; L225-I239 HydrophobicContact CD1-CD1 3.74Å; L225-V244 HydrophobicContact CB-CB 3.75Å; L225-V244 HydrophobicContact CB-CG1 4.19Å; L225-V244 HydrophobicContact CB-CG2 3.93Å; L225-V244 HydrophobicContact CD1-CB 4.5Å; L225-V244 HydrophobicContact CD1-CG2 3.92Å; L225-F245 WeakPolarHBondContact CD2-O 3.36Å; L225-Y246 HydrophobicContact CD1-CD1 3.94Å; L225-Y246 HydrophobicContact CD1-CE1 4.24Å; L225-A247 WeakPolarHBondContact CD2-O 3.27Å
226D98Very high97.8Very high17 Ų176.7 Ų6.79%0.0914%0.043CC..Hα-helixtrans-68.6-33.6176.162.9-51.8000112.4A224 W230 V244 K343 L551 N552A224-D226 VanDerWaalsContact C-N 3.31Å; A224-D226 PolarHBondContact O-N 3.44Å; D226-W230 VanDerWaalsContact O-CB 3.22Å; D226-W230 WeakPolarHBondContact O-CB 3.5Å; D226-W230 PolarHBondContact O-N 2.86Å; D226-V244 HydrophobicContact CB-CG1 4.18Å; D226-K343 VanDerWaalsContact OD2-CE 3.23Å; D226-K343 WeakPolarHBondContact OD2-CE 3.41Å; D226-K343 IonicContact OD2-NZ 3.65Å; D226-K343 PolarHBondContact OD2-NZ 3.12Å; D226-L551 HydrophobicContact CB-CD2 4.11Å; D226-N552 VanDerWaalsContact CG-ND2 3.27Å; D226-N552 PolarHBondContact OD2-ND2 3.16Å
227E98.6Very high98Very high12 Ų128.4 Ų8.46%0.0565%0.045CC..Hα-helixtrans-66.4-45.4172.1-68.1-173.6-139.700111.6L222 A224 W230 L231 S337 V339 K343L222-E227 WeakPolarHBondContact CD2-OE2 3.18Å; A224-E227 HydrophobicContact CB-CB 4.18Å; A224-E227 HydrophobicContact CB-CG 3.88Å; A224-E227 WeakPolarHBondContact O-CB 3.27Å; A224-E227 PolarHBondContact O-N 2.94Å; E227-W230 PolarHBondContact O-N 2.91Å; E227-L231 VanDerWaalsContact O-CB 3.22Å; E227-L231 WeakPolarHBondContact O-CB 3.45Å; E227-L231 PolarHBondContact O-N 3.15Å; E227-S337 WeakPolarHBondContact OE2-CB 3.32Å; E227-S337 PolarHBondContact OE2-OG 3.24Å; E227-V339 HydrophobicContact CB-CB 4.18Å; E227-V339 HydrophobicContact CB-CG1 3.73Å; E227-V339 HydrophobicContact CG-CB 4.32Å; E227-V339 HydrophobicContact CG-CG1 4.13Å; E227-V339 WeakPolarHBondContact O-CG1 3.2Å; E227-V339 WeakPolarHBondContact OE2-CB 3.35Å; E227-K343 HydrophobicContact CG-CD 4.19Å
228I98.8Very high98.1Very high1 Ų18.5 Ų8.51%0.0055%0.045CC..Hα-helixtrans-64.2-49.1178-61.3168.9000109.7L222 A224 L225 W230 L231 F232 F245 A247 A249 L258L222-I228 HydrophobicContact CB-CD1 4.36Å; L222-I228 HydrophobicContact CB-CG1 3.9Å; A224-I228 PolarHBondContact O-N 3.01Å; L225-I228 PolarHBondContact O-N 3.06Å; I228-W230 VanDerWaalsContact C-N 3.33Å; I228-W230 PolarHBondContact O-N 2.9Å; I228-L231 PolarHBondContact O-N 2.85Å; I228-F232 HydrophobicContact CG2-CD2 3.87Å; I228-F232 HydrophobicContact CG2-CE2 4.06Å; I228-F232 VanDerWaalsContact O-CD2 3.27Å; I228-F232 WeakPolarHBondContact O-CD2 3.35Å; I228-F232 PolarHBondContact O-N 2.84Å; I228-F232 VanDerWaalsContact O-N 3.15Å; I228-F245 HydrophobicContact CG2-CE2 4.23Å; I228-F245 HydrophobicContact CG2-CZ 4.25Å; I228-A247 HydrophobicContact CD1-CB 3.92Å; I228-A247 WeakPolarHBondContact CD1-O 3.41Å; I228-A247 HydrophobicContact CG2-CB 3.86Å; I228-A249 HydrophobicContact CG1-CB 4.41Å; I228-L258 HydrophobicContact CG2-CD1 4.01Å
229A98.6Very high98.1Very high0 Ų07.2 Ų7.20%04%0.039CC..Hα-helixtrans-54.8-47.8175.800000111.7L225 N233 L234 R235 V244 F245 L551L225-A229 WeakPolarHBondContact O-CB 3.42Å; L225-A229 PolarHBondContact O-N 3.33Å; A229-N233 PolarHBondContact O-N 2.85Å; A229-L234 CarbonylContact C-O 3.6Å; A229-L234 VanDerWaalsContact C-O 3.3Å; A229-L234 VanDerWaalsContact CA-O 3.27Å; A229-L234 WeakPolarHBondContact CA-O 3.42Å; A229-L234 VanDerWaalsContact CB-O 3.27Å; A229-L234 WeakPolarHBondContact CB-O 3.39Å; A229-L234 PolarHBondContact O-N 3.2Å; A229-R235 VanDerWaalsContact C-NH1 3.34Å; A229-R235 PolarHBondContact O-NH1 2.85Å; A229-V244 HydrophobicContact CB-CG1 4.44Å; A229-F245 HydrophobicContact CB-CE1 3.97Å; A229-L551 HydrophobicContact CB-CD2 4.06Å
230W98.6Very high98Very high4 Ų410.7 Ų10.72%0.0156%0.058CC..Hα-helixtrans-65.3-44.1178.3-175.587.9000112.8K204 D226 E227 I228 F232 N233 V339 M342 K343 E350 L551K204-W230 HydrophobicContact CB-CZ3 4.29Å; K204-W230 HydrophobicContact CD-CD2 4.39Å; K204-W230 HydrophobicContact CD-CE3 4.05Å; K204-W230 HydrophobicContact CD-CH2 3.81Å; K204-W230 HydrophobicContact CD-CZ2 4.15Å; K204-W230 HydrophobicContact CD-CZ3 3.75Å; K204-W230 HydrophobicContact CG-CH2 3.9Å; K204-W230 HydrophobicContact CG-CZ3 4.05Å; K204-W230 PolarHBondContact NZ-O 3.42Å; D226-W230 VanDerWaalsContact O-CB 3.22Å; D226-W230 WeakPolarHBondContact O-CB 3.5Å; D226-W230 PolarHBondContact O-N 2.86Å; E227-W230 PolarHBondContact O-N 2.91Å; I228-W230 VanDerWaalsContact C-N 3.33Å; I228-W230 PolarHBondContact O-N 2.9Å; W230-F232 VanDerWaalsContact C-N 3.33Å; W230-F232 PolarHBondContact O-N 2.96Å; W230-N233 PolarHBondContact O-N 2.7Å; W230-V339 HydrophobicContact CE3-CG1 3.68Å; W230-V339 HydrophobicContact CZ3-CG1 4.08Å; W230-M342 HydrophobicContact CH2-CB 3.74Å; W230-M342 HydrophobicContact CH2-CE 3.73Å; W230-M342 HydrophobicContact CZ3-CB 4.06Å; W230-M342 HydrophobicContact CZ3-CE 3.87Å; W230-K343 HydrophobicContact CB-CB 4.35Å; W230-K343 HydrophobicContact CB-CD 4.28Å; W230-K343 HydrophobicContact CD2-CB 3.4Å; W230-K343 VanDerWaalsContact CD2-CB 3.4Å; W230-K343 VanDerWaalsContact CE2-CB 3.48Å; W230-K343 HydrophobicContact CE3-CB 3.92Å; W230-K343 HydrophobicContact CG-CB 3.6Å; W230-K343 HydrophobicContact CG-CD 4.41Å; W230-K343 HydrophobicContact CH2-CB 4.47Å; W230-K343 HydrophobicContact CZ2-CB 4.03Å; W230-K343 HydrophobicContact CZ3-CB 4.42Å; W230-E350 PolarHBondContact NE1-OE1 2.97Å; W230-L551 HydrophobicContact CB-CD1 3.81Å; W230-L551 HydrophobicContact CG-CD1 4.12Å
231L98.8Very high97.9Very high0 Ų012.6 Ų12.60%07%0.065CC..Hα-helixtrans-61.7-42.2-175.5-17859.1000111.6W201 K204 I205 V208 L222 E227 I228 V251 V339W201-L231 WeakPolarHBondContact CA-O 3.21Å; W201-L231 VanDerWaalsContact CB-O 3.26Å; W201-L231 WeakPolarHBondContact CB-O 3.18Å; K204-L231 HydrophobicContact CB-CD1 3.74Å; K204-L231 WeakPolarHBondContact CD-O 3.11Å; I205-L231 HydrophobicContact CD1-CD1 3.98Å; I205-L231 HydrophobicContact CD1-CD2 3.84Å; I205-L231 HydrophobicContact CD1-CG 4.01Å; I205-L231 HydrophobicContact CG1-CD1 4.41Å; V208-L231 HydrophobicContact CG2-CD1 4.04Å; L222-L231 HydrophobicContact CD1-CD2 3.53Å; E227-L231 VanDerWaalsContact O-CB 3.22Å; E227-L231 WeakPolarHBondContact O-CB 3.45Å; E227-L231 PolarHBondContact O-N 3.15Å; I228-L231 PolarHBondContact O-N 2.85Å; L231-V251 HydrophobicContact CD2-CG2 4.29Å; L231-V339 HydrophobicContact CB-CG1 4.26Å; L231-V339 HydrophobicContact CD1-CG2 4.38Å; L231-V339 HydrophobicContact CD2-CG2 4.19Å
232F98.8Very high97.8Very high0 Ų012.6 Ų12.60%07%0.065CC..Hα-helixtrans-91.41.2-177.7-66-76.5000114.5W201 I228 W230 L234 A249 I256 L258 Y274 L275W201-F232 HydrophobicContact CE3-CD1 4.43Å; I228-F232 HydrophobicContact CG2-CD2 3.87Å; I228-F232 HydrophobicContact CG2-CE2 4.06Å; I228-F232 VanDerWaalsContact O-CD2 3.27Å; I228-F232 WeakPolarHBondContact O-CD2 3.35Å; I228-F232 PolarHBondContact O-N 2.84Å; I228-F232 VanDerWaalsContact O-N 3.15Å; W230-F232 VanDerWaalsContact C-N 3.33Å; W230-F232 PolarHBondContact O-N 2.96Å; F232-L234 HydrophobicContact CB-CB 4.44Å; F232-L234 HydrophobicContact CB-CD1 3.81Å; F232-L234 HydrophobicContact CB-CG 3.97Å; F232-L234 PolarHBondContact O-N 2.8Å; F232-A249 HydrophobicContact CE2-CB 4.17Å; F232-I256 HydrophobicContact CE1-CG2 4.03Å; F232-I256 HydrophobicContact CZ-CG2 3.66Å; F232-L258 HydrophobicContact CD2-CD1 4.27Å; F232-L258 HydrophobicContact CE2-CD1 3.81Å; F232-L258 HydrophobicContact CZ-CD1 4.23Å; F232-Y274 PolarHBondContact O-OH 2.9Å; F232-L275 HydrophobicContact CD1-CD2 3.94Å
233N98.5Very high97.7Very high0 Ų012.4 Ų12.40%06%0.064CC..THydrogen-bonded Turntrans52.939.4-170.7-66.6-30.8000112.2I192 S197 S199 W201 K204 A229 W230I192-N233 HydrophobicContact CB-CB 4.18Å; I192-N233 WeakPolarHBondContact CB-O 3.45Å; I192-N233 PolarHBondContact N-O 3.26Å; S197-N233 WeakPolarHBondContact CB-OD1 3.47Å; S197-N233 PolarHBondContact OG-ND2 3.01Å; S197-N233 PolarHBondContact OG-OD1 2.77Å; S199-N233 PolarHBondContact O-ND2 3.12Å; W201-N233 PolarHBondContact N-ND2 3.21Å; K204-N233 PolarHBondContact NZ-OD1 2.81Å; A229-N233 PolarHBondContact O-N 2.85Å; W230-N233 PolarHBondContact O-N 2.7Å
234L98.6Very high97.7Very high0 Ų012.2 Ų12.20%06%0.063CC..EExtended strand (participates in β ladder)trans-114.7151.6177.1-65.2172.6000109.4L189 L190 F191 A229 F232 F245 L271 Y274L189-L234 HydrophobicContact CD1-CD1 3.95Å; L190-L234 CarbonylContact O-C 3.49Å; L190-L234 VanDerWaalsContact O-CA 3.28Å; L190-L234 WeakPolarHBondContact O-CA 3.09Å; F191-L234 HydrophobicContact CD1-CD2 3.52Å; F191-L234 HydrophobicContact CE1-CD2 3.78Å; F191-L234 HydrophobicContact CG-CD2 4.26Å; A229-L234 CarbonylContact C-O 3.6Å; A229-L234 VanDerWaalsContact C-O 3.3Å; A229-L234 VanDerWaalsContact CA-O 3.27Å; A229-L234 WeakPolarHBondContact CA-O 3.42Å; A229-L234 VanDerWaalsContact CB-O 3.27Å; A229-L234 WeakPolarHBondContact CB-O 3.39Å; A229-L234 PolarHBondContact O-N 3.2Å; F232-L234 HydrophobicContact CB-CB 4.44Å; F232-L234 HydrophobicContact CB-CD1 3.81Å; F232-L234 HydrophobicContact CB-CG 3.97Å; F232-L234 PolarHBondContact O-N 2.8Å; L234-F245 HydrophobicContact CB-CE1 3.54Å; L234-F245 HydrophobicContact CB-CZ 3.73Å; L234-F245 HydrophobicContact CD1-CZ 4.19Å; L234-L271 HydrophobicContact CD1-CD1 4.01Å; L234-Y274 HydrophobicContact CD2-CD1 4.36Å; L234-Y274 HydrophobicContact CD2-CE1 4.1Å; L234-Y274 HydrophobicContact CG-CE1 4.46Å
235R98.2Very high97.8Very high3 Ų311.7 Ų11.71%0.0116%0.059CC..EExtended strand (participates in β ladder)trans-134.7159.7170.9-63.1-67.1-176.6-83-0.5110L189 L190 I192 A229 P243 A549 F550L189-R235 CarbonylContact C-O 3.57Å; L189-R235 WeakPolarHBondContact CA-O 3.3Å; L190-R235 HydrophobicContact CB-CB 4.25Å; L190-R235 PolarHBondContact N-O 2.84Å; L190-R235 PolarHBondContact O-N 3.41Å; I192-R235 HydrophobicContact CD1-CB 4.28Å; I192-R235 HydrophobicContact CD1-CG 3.56Å; I192-R235 HydrophobicContact CG1-CG 3.62Å; A229-R235 VanDerWaalsContact C-NH1 3.34Å; A229-R235 PolarHBondContact O-NH1 2.85Å; R235-P243 HydrophobicContact CB-CB 4.41Å; R235-P243 WeakPolarHBondContact CB-O 3.03Å; R235-P243 WeakPolarHBondContact CD-O 3.34Å; R235-A549 PolarHBondContact NH2-O 2.84Å; R235-F550 HydrophobicContact CB-CE1 3.93Å; R235-F550 HydrophobicContact CB-CZ 4.31Å; R235-F550 VanDerWaalsContact CD-O 3.3Å; R235-F550 WeakPolarHBondContact CD-O 3.36Å; R235-F550 HydrophobicContact CG-CD1 3.73Å; R235-F550 HydrophobicContact CG-CE1 3.6Å; R235-F550 HydrophobicContact CG-CZ 4.33Å; R235-F550 PolarHBondContact NE-O 3.46Å
236G97.5Very high97.8Very high1 Ų111.8 Ų11.81%0.016%0.059CC..  trans-139.4-180177.900000111.3P243 V244 F433G236-P243 PolarHBondContact N-O 3.27Å; G236-P243 CarbonylContact O-C 3.51Å; G236-P243 WeakPolarHBondContact O-CA 3.45Å; G236-V244 CarbonylContact C-O 3.59Å; G236-V244 VanDerWaalsContact CA-O 3.32Å; G236-V244 WeakPolarHBondContact CA-O 3.44Å; G236-V244 PolarHBondContact O-N 2.73Å; G236-F433 VanDerWaalsContact O-CZ 3.32Å; G236-F433 WeakPolarHBondContact O-CZ 3.17Å
237N96.7Very high97.8Very high69 Ų6911 Ų1137%0.3696%0.055SC..  trans-130.936.5172.1-162.521.3000110.1N187 I239 V244 F433N187-N237 PolarHBondContact ND2-O 2.81Å; N237-I239 VanDerWaalsContact C-N 3.3Å; N237-V244 PolarHBondContact N-O 3.4Å; N237-F433 HydrophobicContact CB-CE1 4.18Å; N237-F433 HydrophobicContact CB-CZ 3.64Å
238D97.4Very high97.8Very high4 Ų410.5 Ų10.52%0.0215%0.052CC..SBendtrans-74.3-28.3-177.5-75.3-18.5000111.7S185 N187 V244 F245 Y246S185-D238 VanDerWaalsContact CB-O 3.26Å; S185-D238 WeakPolarHBondContact CB-O 3.44Å; S185-D238 PolarHBondContact OG-O 2.91Å; N187-D238 WeakPolarHBondContact CB-OD1 3.46Å; N187-D238 PolarHBondContact N-OD1 2.87Å; N187-D238 PolarHBondContact ND2-OD1 2.98Å; D238-V244 PolarHBondContact N-O 3.49Å; D238-V244 VanDerWaalsContact N-O 3.1Å; D238-F245 WeakPolarHBondContact OD2-CA 3.18Å; D238-F245 WeakPolarHBondContact OD2-CB 3.38Å; D238-Y246 HydrophobicContact CB-CD2 3.76Å; D238-Y246 HydrophobicContact CB-CE2 3.82Å; D238-Y246 PolarHBondContact OD2-N 3.36Å
239I96.4Very high97.8Very high1 Ų110.5 Ų10.51%0.0055%0.052CC..BIsolated β-bridgetrans-121.1128.8-179.3-59.8-179.1000108.3N35 Y37 L225 N237 Y241 N242 V244 Y246N35-I239 HydrophobicContact CB-CD1 3.95Å; N35-I239 VanDerWaalsContact CG-CD1 3.42Å; N35-I239 WeakPolarHBondContact ND2-CD1 3.35Å; Y37-I239 WeakPolarHBondContact O-CG2 3.45Å; L225-I239 HydrophobicContact CD1-CD1 3.74Å; N237-I239 VanDerWaalsContact C-N 3.3Å; I239-Y241 PolarHBondContact O-N 2.84Å; I239-N242 HydrophobicContact CB-CB 4.43Å; I239-N242 HydrophobicContact CG2-CB 4.29Å; I239-N242 PolarHBondContact O-N 3.47Å; I239-V244 HydrophobicContact CB-CG2 4.18Å; I239-V244 HydrophobicContact CD1-CG2 4.04Å; I239-V244 HydrophobicContact CG1-CG2 4.31Å; I239-Y246 HydrophobicContact CD1-CE1 4.05Å; I239-Y246 HydrophobicContact CG1-CE1 4.41Å; I239-Y246 HydrophobicContact CG1-CE2 4.47Å
240L94Very high97.8Very high91 Ų9110.5 Ų10.548%0.4765%0.052SC..THydrogen-bonded Turntrans-59.8139.4177.6-174.864.5000109.9N242L240-N242 PolarHBondContact O-N 3.14Å; L240-N242 VanDerWaalsContact O-N 3.14Å; L240-N242 PolarHBondContact O-OD1 2.61Å
241Y96.5Very high97.8Very high41 Ų4110.3 Ų10.316%0.1615%0.052CC..THydrogen-bonded Turntrans74.5-26-178.6-44.1-56.4000116.3Y37 I239 L435 S436 Q475Y37-Y241 AromaticContact CD1-CD2 3.61Å; Y37-Y241 HydrophobicContact CD1-CD2 3.61Å; Y37-Y241 HydrophobicContact CD1-CE2 4.1Å; Y37-Y241 HydrophobicContact CD2-CD2 4.16Å; Y37-Y241 AromaticContact CE1-CD2 3.65Å; Y37-Y241 HydrophobicContact CE1-CD2 3.65Å; Y37-Y241 HydrophobicContact CE1-CE2 4.06Å; Y37-Y241 HydrophobicContact CE2-CD2 4.16Å; Y37-Y241 HydrophobicContact CE2-CG 4.49Å; Y37-Y241 AromaticContact CG-CD2 3.87Å; Y37-Y241 HydrophobicContact CG-CD2 3.87Å; Y37-Y241 AromaticContact CZ-CD2 3.94Å; I239-Y241 PolarHBondContact O-N 2.84Å; Y241-L435 WeakPolarHBondContact CA-O 3.38Å; Y241-L435 HydrophobicContact CD1-CB 4.02Å; Y241-L435 HydrophobicContact CE1-CB 4.05Å; Y241-S436 WeakPolarHBondContact CB-O 3.28Å; Y241-Q475 WeakPolarHBondContact O-CG 3.34Å; Y241-Q475 PolarHBondContact O-NE2 3.07Å
242N96.5Very high97.7Very high1 Ų110.8 Ų10.81%0.0056%0.055CC..BIsolated β-bridgetrans-104.2116.8177.9-55.776000109.8Y37 I239 L240 V244 N552Y37-N242 WeakPolarHBondContact CD2-OD1 2.97Å; I239-N242 HydrophobicContact CB-CB 4.43Å; I239-N242 HydrophobicContact CG2-CB 4.29Å; I239-N242 PolarHBondContact O-N 3.47Å; L240-N242 PolarHBondContact O-N 3.14Å; L240-N242 VanDerWaalsContact O-N 3.14Å; L240-N242 PolarHBondContact O-OD1 2.61Å; N242-V244 HydrophobicContact CB-CG1 4.23Å; N242-V244 HydrophobicContact CB-CG2 3.76Å; N242-V244 PolarHBondContact O-N 3.04Å; N242-N552 PolarHBondContact ND2-OD1 2.94Å
243P97.7Very high97.5Very high0 Ų014 Ų140%07%0.072CC..  trans-74.659.1178.328.8-34000112.5R235 G236 F433 F550R235-P243 HydrophobicContact CB-CB 4.41Å; R235-P243 WeakPolarHBondContact CB-O 3.03Å; R235-P243 WeakPolarHBondContact CD-O 3.34Å; G236-P243 PolarHBondContact N-O 3.27Å; G236-P243 CarbonylContact O-C 3.51Å; G236-P243 WeakPolarHBondContact O-CA 3.45Å; P243-F433 HydrophobicContact CB-CD1 4.18Å; P243-F433 HydrophobicContact CB-CE1 3.8Å; P243-F433 HydrophobicContact CB-CZ 4.49Å; P243-F550 HydrophobicContact CB-CD2 3.81Å; P243-F550 HydrophobicContact CB-CE2 3.41Å; P243-F550 VanDerWaalsContact CB-CE2 3.41Å; P243-F550 HydrophobicContact CB-CZ 3.86Å; P243-F550 VanDerWaalsContact CG-C 3.41Å; P243-F550 HydrophobicContact CG-CD2 3.65Å; P243-F550 HydrophobicContact CG-CE2 3.8Å; P243-F550 HydrophobicContact CG-CG 4.33Å; P243-F550 WeakPolarHBondContact CG-O 3.46Å
244V98.1Very high97.4Very high0 Ų019.7 Ų19.70%010%0.102CC..  trans-124.6168.2-173.8-58.10000111.5L225 D226 A229 G236 N237 D238 I239 N242L225-V244 HydrophobicContact CB-CB 3.75Å; L225-V244 HydrophobicContact CB-CG1 4.19Å; L225-V244 HydrophobicContact CB-CG2 3.93Å; L225-V244 HydrophobicContact CD1-CB 4.5Å; L225-V244 HydrophobicContact CD1-CG2 3.92Å; D226-V244 HydrophobicContact CB-CG1 4.18Å; A229-V244 HydrophobicContact CB-CG1 4.44Å; G236-V244 CarbonylContact C-O 3.59Å; G236-V244 VanDerWaalsContact CA-O 3.32Å; G236-V244 WeakPolarHBondContact CA-O 3.44Å; G236-V244 PolarHBondContact O-N 2.73Å; N237-V244 PolarHBondContact N-O 3.4Å; D238-V244 PolarHBondContact N-O 3.49Å; D238-V244 VanDerWaalsContact N-O 3.1Å; I239-V244 HydrophobicContact CB-CG2 4.18Å; I239-V244 HydrophobicContact CD1-CG2 4.04Å; I239-V244 HydrophobicContact CG1-CG2 4.31Å; N242-V244 HydrophobicContact CB-CG1 4.23Å; N242-V244 HydrophobicContact CB-CG2 3.76Å; N242-V244 PolarHBondContact O-N 3.04Å
245F98.3Very high97.3Very high1 Ų122.9 Ų22.90%0.00412%0.116CC..  trans-137148.9178.653.3-85.2000110.1L189 L225 I228 A229 L234 D238 A247 L260L189-F245 HydrophobicContact CD1-CD2 4.18Å; L189-F245 HydrophobicContact CD1-CE1 4.42Å; L189-F245 HydrophobicContact CD1-CE2 4.09Å; L189-F245 HydrophobicContact CD1-CG 4.39Å; L189-F245 HydrophobicContact CD1-CZ 4.21Å; L189-F245 HydrophobicContact CD2-CB 3.45Å; L189-F245 VanDerWaalsContact CD2-CB 3.45Å; L189-F245 HydrophobicContact CD2-CD1 3.58Å; L189-F245 HydrophobicContact CD2-CD2 3.82Å; L189-F245 HydrophobicContact CD2-CE1 4.27Å; L189-F245 HydrophobicContact CD2-CE2 4.47Å; L189-F245 HydrophobicContact CD2-CG 3.32Å; L189-F245 HydrophobicContact CG-CG 4.49Å; L225-F245 WeakPolarHBondContact CD2-O 3.36Å; I228-F245 HydrophobicContact CG2-CE2 4.23Å; I228-F245 HydrophobicContact CG2-CZ 4.25Å; A229-F245 HydrophobicContact CB-CE1 3.97Å; L234-F245 HydrophobicContact CB-CE1 3.54Å; L234-F245 HydrophobicContact CB-CZ 3.73Å; L234-F245 HydrophobicContact CD1-CZ 4.19Å; D238-F245 WeakPolarHBondContact OD2-CA 3.18Å; D238-F245 WeakPolarHBondContact OD2-CB 3.38Å; F245-A247 HydrophobicContact CD2-CB 3.86Å; F245-A247 HydrophobicContact CE2-CB 3.75Å; F245-A247 PolarHBondContact O-N 3.33Å; F245-L260 HydrophobicContact CD2-CD2 3.79Å; F245-L260 HydrophobicContact CE2-CD2 3.7Å
246Y98.3Very high97.3Very high2 Ų222.7 Ų22.71%0.00812%0.115CC..  trans-66.3117.9-179.5-70-69.3000111.2H33 R184 S185 L225 D238 I239H33-Y246 AromaticContact CD2-CD1 3.74Å; H33-Y246 AromaticContact NE2-CD1 3.8Å; R184-Y246 HydrophobicContact CG-CD2 3.83Å; R184-Y246 HydrophobicContact CG-CE2 3.54Å; R184-Y246 PolarHBondContact NH1-OH 3.07Å; S185-Y246 WeakPolarHBondContact O-CD2 3.27Å; L225-Y246 HydrophobicContact CD1-CD1 3.94Å; L225-Y246 HydrophobicContact CD1-CE1 4.24Å; D238-Y246 HydrophobicContact CB-CD2 3.76Å; D238-Y246 HydrophobicContact CB-CE2 3.82Å; D238-Y246 PolarHBondContact OD2-N 3.36Å; I239-Y246 HydrophobicContact CD1-CE1 4.05Å; I239-Y246 HydrophobicContact CG1-CE1 4.41Å; I239-Y246 HydrophobicContact CG1-CE2 4.47Å
247A98.6Very high97.3Very high0 Ų022.8 Ų22.80%012%0.115CC..EExtended strand (participates in β ladder)trans-155.9157.5-177.700000112.4H33 L225 I228 F245 F259 L260H33-A247 PolarHBondContact CE1-O 3.14Å; L225-A247 WeakPolarHBondContact CD2-O 3.27Å; I228-A247 HydrophobicContact CD1-CB 3.92Å; I228-A247 WeakPolarHBondContact CD1-O 3.41Å; I228-A247 HydrophobicContact CG2-CB 3.86Å; F245-A247 HydrophobicContact CD2-CB 3.86Å; F245-A247 HydrophobicContact CE2-CB 3.75Å; F245-A247 PolarHBondContact O-N 3.33Å; A247-F259 VanDerWaalsContact CA-O 3.24Å; A247-F259 WeakPolarHBondContact CA-O 3.3Å; A247-L260 HydrophobicContact CB-CD2 3.67Å
248Y98.8Very high97.4Very high2 Ų219.5 Ų19.51%0.00810%0.098CC..EExtended strand (participates in β ladder)trans-123.7156.5157.5-63.6-79.6000109.2H33 L222 F259 Y287 F290H33-Y248 AromaticContact CE1-CD1 3.97Å; H33-Y248 AromaticContact CE1-CE1 3.46Å; H33-Y248 VanDerWaalsContact CE1-CE1 3.46Å; H33-Y248 WeakPolarHBondContact CE1-CE1 3.37Å; H33-Y248 AromaticContact CE1-CE2 3.75Å; H33-Y248 AromaticContact CE1-CZ 3.33Å; H33-Y248 AromaticContact ND1-CE1 3.79Å; H33-Y248 AromaticContact NE2-CZ 3.89Å; L222-Y248 WeakPolarHBondContact O-CA 3.32Å; Y248-F259 PolarHBondContact N-O 3.15Å; Y248-F259 VanDerWaalsContact N-O 3.15Å; Y248-F259 PolarHBondContact O-N 3.04Å; Y248-Y287 HydrophobicContact CD2-CD2 4.07Å; Y248-Y287 AromaticContact CD2-CE2 3.67Å; Y248-Y287 HydrophobicContact CD2-CE2 3.67Å; Y248-Y287 HydrophobicContact CE2-CD2 4.25Å; Y248-Y287 HydrophobicContact CE2-CE1 4.13Å; Y248-Y287 AromaticContact CE2-CE2 3.5Å; Y248-Y287 HydrophobicContact CE2-CE2 3.5Å; Y248-Y287 VanDerWaalsContact CE2-CE2 3.5Å; Y248-Y287 AromaticContact CE2-CZ 3.42Å; Y248-Y287 VanDerWaalsContact CE2-CZ 3.42Å; Y248-Y287 WeakPolarHBondContact CE2-OH 3.48Å; Y248-F290 AromaticContact CD1-CD1 3.69Å; Y248-F290 HydrophobicContact CD1-CD1 3.69Å; Y248-F290 HydrophobicContact CD1-CD2 4.28Å; Y248-F290 AromaticContact CD1-CE1 3.47Å; Y248-F290 HydrophobicContact CD1-CE1 3.47Å; Y248-F290 VanDerWaalsContact CD1-CE1 3.47Å; Y248-F290 HydrophobicContact CD1-CE2 4.08Å; Y248-F290 HydrophobicContact CD1-CG 4.09Å; Y248-F290 AromaticContact CD1-CZ 3.67Å; Y248-F290 HydrophobicContact CD1-CZ 3.67Å; Y248-F290 HydrophobicContact CD2-CB 3.66Å; Y248-F290 AromaticContact CD2-CD1 3.55Å; Y248-F290 HydrophobicContact CD2-CD1 3.55Å; Y248-F290 HydrophobicContact CD2-CD2 4.18Å; Y248-F290 HydrophobicContact CD2-CE1 4.22Å; Y248-F290 AromaticContact CD2-CG 3.51Å; Y248-F290 HydrophobicContact CD2-CG 3.51Å; Y248-F290 AromaticContact CE1-CD1 3.91Å; Y248-F290 HydrophobicContact CE1-CD1 3.91Å; Y248-F290 AromaticContact CE1-CE1 3.69Å; Y248-F290 HydrophobicContact CE1-CE1 3.69Å; Y248-F290 HydrophobicContact CE1-CZ 4.3Å; Y248-F290 HydrophobicContact CE2-CB 4.29Å; Y248-F290 AromaticContact CE2-CD1 3.75Å; Y248-F290 HydrophobicContact CE2-CD1 3.75Å; Y248-F290 HydrophobicContact CE2-CE1 4.38Å; Y248-F290 HydrophobicContact CE2-CG 4.15Å; Y248-F290 HydrophobicContact CG-CB 4.09Å; Y248-F290 AromaticContact CG-CD1 3.51Å; Y248-F290 HydrophobicContact CG-CD1 3.51Å; Y248-F290 AromaticContact CG-CD2 3.7Å; Y248-F290 HydrophobicContact CG-CD2 3.7Å; Y248-F290 AromaticContact CG-CE1 3.76Å; Y248-F290 HydrophobicContact CG-CE1 3.76Å; Y248-F290 AromaticContact CG-CE2 3.94Å; Y248-F290 HydrophobicContact CG-CE2 3.94Å; Y248-F290 AromaticContact CG-CG 3.46Å; Y248-F290 HydrophobicContact CG-CG 3.46Å; Y248-F290 VanDerWaalsContact CG-CG 3.46Å; Y248-F290 AromaticContact CG-CZ 3.96Å; Y248-F290 HydrophobicContact CG-CZ 3.96Å; Y248-F290 AromaticContact CZ-CD1 3.94Å
249A98.8Very high97.5Very high0 Ų019.3 Ų19.30%010%0.097CC..EExtended strand (participates in β ladder)trans-139.2141169.200000111.6L222 I228 F232 D257 L258L222-A249 HydrophobicContact CB-CB 4.22Å; L222-A249 HydrophobicContact CD1-CB 4.44Å; L222-A249 PolarHBondContact N-O 3.22Å; L222-A249 PolarHBondContact O-N 2.94Å; I228-A249 HydrophobicContact CG1-CB 4.41Å; F232-A249 HydrophobicContact CE2-CB 4.17Å; A249-D257 CarbonylContact C-O 3.58Å; A249-D257 VanDerWaalsContact CA-O 3.27Å; A249-D257 WeakPolarHBondContact CA-O 3.43Å; A249-L258 HydrophobicContact CB-CD1 4.07Å
250I98.6Very high97.6Very high1 Ų119.3 Ų19.31%0.00510%0.097CC..EExtended strand (participates in β ladder)trans-116.6113.5169.2-59.4171.3000107.1L219 L220 I256 D257 F259 F290 Y293 L294L219-I250 HydrophobicContact CD2-CG2 4.03Å; L220-I250 WeakPolarHBondContact O-CA 3.28Å; I250-I256 WeakPolarHBondContact O-CA 3.32Å; I250-D257 HydrophobicContact CB-CB 4.32Å; I250-D257 PolarHBondContact N-O 3.43Å; I250-D257 PolarHBondContact O-N 3.2Å; I250-F259 HydrophobicContact CD1-CE2 3.95Å; I250-F259 HydrophobicContact CD1-CZ 4.17Å; I250-F259 HydrophobicContact CG1-CE2 4.05Å; I250-F290 HydrophobicContact CD1-CD2 4.26Å; I250-F290 HydrophobicContact CD1-CE2 3.99Å; I250-F290 HydrophobicContact CG1-CD2 4.44Å; I250-F290 HydrophobicContact CG1-CE2 3.9Å; I250-Y293 HydrophobicContact CD1-CD1 3.84Å; I250-Y293 HydrophobicContact CD1-CE1 4.34Å; I250-L294 HydrophobicContact CD1-CB 4.06Å; I250-L294 HydrophobicContact CD1-CD1 4.02Å
251V98.5Very high97.8Very high0 Ų016.9 Ų16.90%08%0.084CC..EExtended strand (participates in β ladder)trans-98.6121.7176.8-1790000108.2I205 V208 R209 M212 L219 L220 L222 L231 I256I205-V251 HydrophobicContact CD1-CG1 4.36Å; I205-V251 HydrophobicContact CD1-CG2 4.23Å; V208-V251 HydrophobicContact CG1-CG1 4.33Å; R209-V251 HydrophobicContact CG-CG1 4.44Å; M212-V251 VanDerWaalsContact CE-O 3.3Å; M212-V251 WeakPolarHBondContact CE-O 3.26Å; M212-V251 HydrophobicContact SD-CG1 4.05Å; L219-V251 CarbonylContact C-O 3.55Å; L219-V251 WeakPolarHBondContact CA-O 3.36Å; L220-V251 HydrophobicContact CB-CB 4.31Å; L220-V251 PolarHBondContact N-O 2.69Å; L220-V251 PolarHBondContact O-N 3.47Å; L222-V251 HydrophobicContact CD1-CG2 4.39Å; L231-V251 HydrophobicContact CD2-CG2 4.29Å; V251-I256 HydrophobicContact CG1-CG1 4.39Å; V251-I256 HydrophobicContact CG2-CG2 4.49Å
252S96.9Very high97.8Very high9 Ų918.7 Ų18.76%0.06310%0.103CC..EExtended strand (participates in β ladder)trans-103.5178.4166.889.10000110.7R209 E218 N254 K255R209-S252 PolarHBondContact NE-O 3.03Å; E218-S252 WeakPolarHBondContact O-CA 3.45Å; S252-N254 PolarHBondContact O-N 2.87Å; S252-N254 PolarHBondContact OG-N 3.44Å; S252-N254 VanDerWaalsContact OG-N 3.12Å; S252-N254 PolarHBondContact OG-OD1 2.7Å; S252-K255 PolarHBondContact N-O 3.39Å; S252-K255 VanDerWaalsContact OG-CG 3.32Å; S252-K255 WeakPolarHBondContact OG-CG 3.5Å; S252-K255 PolarHBondContact OG-N 3.3Å; S252-K255 PolarHBondContact OG-O 3.06Å
253L95.4Very high97.8Very high68 Ų6823.3 Ų23.336%0.35612%0.123SC..SBendtrans-65.7-17.7174.9-61.8-177.7000114.1R209 M212 K213R209-L253 PolarHBondContact NE-O 2.93Å; M212-L253 HydrophobicContact CB-CD2 4.19Å; M212-L253 HydrophobicContact CE-CD2 4.31Å; K213-L253 HydrophobicContact CG-CD2 3.85Å
254N94.7Very high97.8Very high120 Ų12023.4 Ų23.464%0.64212%0.123SC*.SBendtrans-133.2-18.4-173.259.89.4000115.3R209 S252R209-N254 VanDerWaalsContact NH2-C 3.33Å; S252-N254 PolarHBondContact O-N 2.87Å; S252-N254 PolarHBondContact OG-N 3.44Å; S252-N254 VanDerWaalsContact OG-N 3.12Å; S252-N254 PolarHBondContact OG-OD1 2.7Å
255K96.8Very high97.8Very high66 Ų6624.5 Ų24.529%0.28713%0.13SC..EExtended strand (participates in β ladder)trans-138.7167.2177.667.9172.2-171.1168.60111.6R209 S252 D257 S281 Y293R209-K255 PolarHBondContact NH2-O 2.99Å; S252-K255 PolarHBondContact N-O 3.39Å; S252-K255 VanDerWaalsContact OG-CG 3.32Å; S252-K255 WeakPolarHBondContact OG-CG 3.5Å; S252-K255 PolarHBondContact OG-N 3.3Å; S252-K255 PolarHBondContact OG-O 3.06Å; K255-D257 VanDerWaalsContact CE-OD2 3.24Å; K255-D257 WeakPolarHBondContact CE-OD2 3.38Å; K255-D257 IonicContact NZ-OD1 2.68Å; K255-D257 IonicContact NZ-OD2 3.14Å; K255-S281 CarbonylContact C-O 3.58Å; K255-S281 WeakPolarHBondContact CA-O 3.42Å; K255-Y293 PolarHBondContact NZ-OH 3.4Å
256I98.5Very high97.8Very high0 Ų030.9 Ų30.90%016%0.164CC..EExtended strand (participates in β ladder)trans-134.3125.8176.7-61.6158.9000106.8W201 I205 F232 I250 V251 S281 V282 E283W201-I256 HydrophobicContact CZ3-CD1 4.06Å; I205-I256 HydrophobicContact CB-CD1 4.44Å; I205-I256 HydrophobicContact CD1-CD1 3.52Å; I205-I256 HydrophobicContact CD1-CG1 4.14Å; I205-I256 HydrophobicContact CG1-CD1 3.69Å; I205-I256 HydrophobicContact CG2-CD1 3.96Å; F232-I256 HydrophobicContact CE1-CG2 4.03Å; F232-I256 HydrophobicContact CZ-CG2 3.66Å; I250-I256 WeakPolarHBondContact O-CA 3.32Å; V251-I256 HydrophobicContact CG1-CG1 4.39Å; V251-I256 HydrophobicContact CG2-CG2 4.49Å; I256-S281 PolarHBondContact N-O 2.73Å; I256-V282 HydrophobicContact CB-CG2 4.25Å; I256-V282 HydrophobicContact CD1-CG2 3.99Å; I256-V282 HydrophobicContact CG2-CG1 4.41Å; I256-V282 WeakPolarHBondContact O-CA 3.45Å; I256-E283 PolarHBondContact O-N 3.41Å
257D98.6Very high97.8Very high2 Ų235.4 Ų35.41%0.01119%0.186CC..EExtended strand (participates in β ladder)trans-107.4114.2174.8-60.8-80.6000108A249 I250 K255 F259 H285 Y293A249-D257 CarbonylContact C-O 3.58Å; A249-D257 VanDerWaalsContact CA-O 3.27Å; A249-D257 WeakPolarHBondContact CA-O 3.43Å; I250-D257 HydrophobicContact CB-CB 4.32Å; I250-D257 PolarHBondContact N-O 3.43Å; I250-D257 PolarHBondContact O-N 3.2Å; K255-D257 VanDerWaalsContact CE-OD2 3.24Å; K255-D257 WeakPolarHBondContact CE-OD2 3.38Å; K255-D257 IonicContact NZ-OD1 2.68Å; K255-D257 IonicContact NZ-OD2 3.14Å; D257-F259 HydrophobicContact CB-CE2 3.75Å; D257-F259 HydrophobicContact CB-CZ 3.97Å; D257-F259 WeakPolarHBondContact O-CE2 3.43Å; D257-H285 IonicContact OD1-CD2 2.83Å; D257-H285 IonicContact OD1-CE1 3.12Å; D257-H285 IonicContact OD1-NE2 3.81Å; D257-H285 PolarHBondContact OD1-NE2 3.14Å; D257-Y293 HydrophobicContact CB-CE1 4.03Å; D257-Y293 VanDerWaalsContact CG-CZ 3.48Å; D257-Y293 PolarHBondContact OD1-OH 3Å; D257-Y293 PolarHBondContact OD2-OH 3.42Å; D257-Y293 VanDerWaalsContact OD2-OH 3.09Å
258L98.8Very high97.7Very high0 Ų035.8 Ų35.80%019%0.188CC..EExtended strand (participates in β ladder)trans-110.1122.4-177.8-177.263.6000109.5I228 F232 A249 L260 L275 V282 E283 I284 H285I228-L258 HydrophobicContact CG2-CD1 4.01Å; F232-L258 HydrophobicContact CD2-CD1 4.27Å; F232-L258 HydrophobicContact CE2-CD1 3.81Å; F232-L258 HydrophobicContact CZ-CD1 4.23Å; A249-L258 HydrophobicContact CB-CD1 4.07Å; L258-L260 HydrophobicContact CD2-CD1 3.88Å; L258-L260 HydrophobicContact CD2-CG 4.33Å; L258-L260 HydrophobicContact CG-CD1 4.12Å; L258-L260 HydrophobicContact CG-CD2 4.4Å; L258-L260 HydrophobicContact CG-CG 4.03Å; L258-L275 HydrophobicContact CD2-CD1 3.82Å; L258-V282 HydrophobicContact CB-CG1 4.44Å; L258-E283 PolarHBondContact N-O 3.21Å; L258-I284 CarbonylContact O-C 3.53Å; L258-I284 VanDerWaalsContact O-CA 3.31Å; L258-I284 WeakPolarHBondContact O-CA 3.47Å; L258-H285 PolarHBondContact O-N 3.49Å
259F98.8Very high97.5Very high0 Ų039.9 Ų39.90%022%0.217CC..EExtended strand (participates in β ladder)trans-106.2115.8-174.3-58.6-97.3000109.6A247 Y248 I250 D257 H285 F290 Y293A247-F259 VanDerWaalsContact CA-O 3.24Å; A247-F259 WeakPolarHBondContact CA-O 3.3Å; Y248-F259 PolarHBondContact N-O 3.15Å; Y248-F259 VanDerWaalsContact N-O 3.15Å; Y248-F259 PolarHBondContact O-N 3.04Å; I250-F259 HydrophobicContact CD1-CE2 3.95Å; I250-F259 HydrophobicContact CD1-CZ 4.17Å; I250-F259 HydrophobicContact CG1-CE2 4.05Å; D257-F259 HydrophobicContact CB-CE2 3.75Å; D257-F259 HydrophobicContact CB-CZ 3.97Å; D257-F259 WeakPolarHBondContact O-CE2 3.43Å; F259-H285 WeakPolarHBondContact CA-O 3.33Å; F259-H285 HydrophobicContact CD1-CB 3.49Å; F259-H285 VanDerWaalsContact CD1-CB 3.49Å; F259-H285 HydrophobicContact CE1-CB 3.56Å; F259-H285 AromaticContact CE1-CD2 3.98Å; F259-H285 AromaticContact CE1-CG 3.88Å; F259-H285 HydrophobicContact CG-CB 4.26Å; F259-H285 HydrophobicContact CZ-CB 4.39Å; F259-H285 AromaticContact CZ-CD2 3.97Å; F259-F290 HydrophobicContact CB-CB 4.34Å; F259-F290 HydrophobicContact CD1-CB 3.85Å; F259-F290 HydrophobicContact CD2-CB 4.43Å; F259-F290 AromaticContact CD2-CD2 3.79Å; F259-F290 HydrophobicContact CD2-CD2 3.79Å; F259-F290 HydrophobicContact CE1-CB 4.31Å; F259-F290 AromaticContact CE2-CD2 3.89Å; F259-F290 HydrophobicContact CE2-CD2 3.89Å; F259-F290 HydrophobicContact CG-CB 3.94Å; F259-F290 HydrophobicContact CG-CD2 4.16Å; F259-F290 HydrophobicContact CZ-CD2 4.33Å; F259-Y293 HydrophobicContact CE1-CD1 4.34Å; F259-Y293 HydrophobicContact CE1-CD2 4.37Å; F259-Y293 AromaticContact CE1-CG 3.9Å; F259-Y293 HydrophobicContact CE1-CG 3.9Å; F259-Y293 AromaticContact CZ-CD1 3.58Å; F259-Y293 HydrophobicContact CZ-CD1 3.58Å; F259-Y293 HydrophobicContact CZ-CD2 4.28Å; F259-Y293 HydrophobicContact CZ-CE1 4.21Å; F259-Y293 AromaticContact CZ-CG 3.6Å; F259-Y293 HydrophobicContact CZ-CG 3.6Å
260L98.6Very high97.4Very high1 Ų148.9 Ų48.91%0.00525%0.251CS..EExtended strand (participates in β ladder)trans-132.1157.2-173.9-64.2173.6000111.7F245 A247 L258 S262 V265 L271 I284 H285 Y287F245-L260 HydrophobicContact CD2-CD2 3.79Å; F245-L260 HydrophobicContact CE2-CD2 3.7Å; A247-L260 HydrophobicContact CB-CD2 3.67Å; L258-L260 HydrophobicContact CD2-CD1 3.88Å; L258-L260 HydrophobicContact CD2-CG 4.33Å; L258-L260 HydrophobicContact CG-CD1 4.12Å; L258-L260 HydrophobicContact CG-CD2 4.4Å; L258-L260 HydrophobicContact CG-CG 4.03Å; L260-S262 PolarHBondContact O-N 3.38Å; L260-V265 HydrophobicContact CB-CG2 3.79Å; L260-V265 HydrophobicContact CD1-CG2 4.03Å; L260-L271 HydrophobicContact CD1-CD2 3.83Å; L260-I284 HydrophobicContact CB-CG2 4.45Å; L260-I284 HydrophobicContact CD1-CG2 4.26Å; L260-H285 PolarHBondContact N-O 3.33Å; L260-Y287 PolarHBondContact O-N 3.22Å
261N97.7Very high97.3Very high40 Ų4048.9 Ų48.921%0.21425%0.251CS..  trans-65.5131168-84-66.9000109.6K263 T264 V265N261-K263 VanDerWaalsContact C-N 3.26Å; N261-K263 PolarHBondContact O-N 2.75Å; N261-T264 WeakPolarHBondContact O-CA 3.2Å; N261-T264 WeakPolarHBondContact O-CB 3.43Å; N261-T264 PolarHBondContact O-N 3.4Å; N261-V265 PolarHBondContact O-N 3.03Å; N261-V265 VanDerWaalsContact O-N 3.12Å
262S96.3Very high97.2Very high79 Ų7955.4 Ų55.455%0.55228%0.281SS*.Hα-helixtrans-54.6-42.8179.8540000112.1L260 T264 V265 D266L260-S262 PolarHBondContact O-N 3.38Å; S262-T264 VanDerWaalsContact C-N 3.31Å; S262-T264 PolarHBondContact O-N 3.45Å; S262-V265 WeakPolarHBondContact O-CA 3.05Å; S262-V265 WeakPolarHBondContact O-CB 3.44Å; S262-V265 PolarHBondContact O-N 2.88Å; S262-D266 VanDerWaalsContact O-CG 3.24Å; S262-D266 PolarHBondContact O-N 3.09Å
263K97.3Very high97.2Very high98 Ų9860.7 Ų60.743%0.42631%0.309SS..Hα-helixtrans-58.8-39.4175.4-178.7179163.9-150.10113.1N261 V265 D266 Q267N261-K263 VanDerWaalsContact C-N 3.26Å; N261-K263 PolarHBondContact O-N 2.75Å; K263-V265 VanDerWaalsContact C-N 3.33Å; K263-D266 PolarHBondContact O-N 2.65Å; K263-Q267 HydrophobicContact CG-CG 4.35Å; K263-Q267 VanDerWaalsContact O-CB 3.32Å; K263-Q267 WeakPolarHBondContact O-CB 3.47Å; K263-Q267 WeakPolarHBondContact O-CG 3.45Å; K263-Q267 PolarHBondContact O-N 3.35Å
264T98.2Very high97.4Very high2 Ų260.4 Ų60.41%0.01230%0.304CS..Hα-helixtrans-63.9-41.3175.3-70.10000110.7S186 N187 L189 N261 S262 T268S186-T264 VanDerWaalsContact C-OG1 3.31Å; S186-T264 WeakPolarHBondContact CA-OG1 3.31Å; N187-T264 VanDerWaalsContact O-CG2 3.28Å; N187-T264 WeakPolarHBondContact O-CG2 3.4Å; N187-T264 PolarHBondContact O-OG1 3.49Å; L189-T264 HydrophobicContact CD1-CG2 4.2Å; L189-T264 HydrophobicContact CD2-CG2 3.62Å; L189-T264 HydrophobicContact CG-CG2 3.74Å; N261-T264 WeakPolarHBondContact O-CA 3.2Å; N261-T264 WeakPolarHBondContact O-CB 3.43Å; N261-T264 PolarHBondContact O-N 3.4Å; S262-T264 VanDerWaalsContact C-N 3.31Å; S262-T264 PolarHBondContact O-N 3.45Å; T264-T268 VanDerWaalsContact O-CB 3.26Å; T264-T268 WeakPolarHBondContact O-CB 3.15Å; T264-T268 PolarHBondContact O-N 3.21Å; T264-T268 PolarHBondContact O-OG1 2.93Å
265V98Very high97.5Very high24 Ų2455 Ų5515%0.14528%0.275CS..Hα-helixtrans-62.6-52.1176179.70000110.5L260 N261 S262 K263 Q267 T268 L271 I284L260-V265 HydrophobicContact CB-CG2 3.79Å; L260-V265 HydrophobicContact CD1-CG2 4.03Å; N261-V265 PolarHBondContact O-N 3.03Å; N261-V265 VanDerWaalsContact O-N 3.12Å; S262-V265 WeakPolarHBondContact O-CA 3.05Å; S262-V265 WeakPolarHBondContact O-CB 3.44Å; S262-V265 PolarHBondContact O-N 2.88Å; K263-V265 VanDerWaalsContact C-N 3.33Å; V265-Q267 PolarHBondContact O-N 3.03Å; V265-T268 PolarHBondContact O-N 3.1Å; V265-T268 VanDerWaalsContact O-N 3.1Å; V265-L271 HydrophobicContact CG1-CD2 4.43Å; V265-L271 HydrophobicContact CG2-CD2 4.26Å; V265-I284 HydrophobicContact CG2-CG2 3.88Å
266D97.5Very high97.5Very high134 Ų13456.1 Ų56.172%0.71729%0.291SS*.Hα-helixtrans-59.1-34.8-178.5-65.5-22.6000112.7S262 K263S262-D266 VanDerWaalsContact O-CG 3.24Å; S262-D266 PolarHBondContact O-N 3.09Å; K263-D266 PolarHBondContact O-N 2.65Å
267Q97.6Very high97.4Very high98 Ų9859 Ų5946%0.45831%0.306SS..Hα-helixtrans-87.7-15.9-179.3-67-177-2700113.5S186 P188 K263 V265 S269S186-Q267 PolarHBondContact O-OE1 3.38Å; P188-Q267 HydrophobicContact CB-CB 4.22Å; K263-Q267 HydrophobicContact CG-CG 4.35Å; K263-Q267 VanDerWaalsContact O-CB 3.32Å; K263-Q267 WeakPolarHBondContact O-CB 3.47Å; K263-Q267 WeakPolarHBondContact O-CG 3.45Å; K263-Q267 PolarHBondContact O-N 3.35Å; V265-Q267 PolarHBondContact O-N 3.03Å; Q267-S269 PolarHBondContact O-N 3.23Å
268T98.1Very high97.2Very high7 Ų769.4 Ų69.44%0.04335%0.351CS..SBendtrans-94.187.2179.6-54.70000110.1P188 L189 F191 T264 V265 R270 L271P188-T268 WeakPolarHBondContact CA-OG1 3.47Å; L189-T268 HydrophobicContact CB-CG2 3.73Å; L189-T268 HydrophobicContact CG-CG2 4.17Å; L189-T268 PolarHBondContact N-OG1 2.97Å; F191-T268 HydrophobicContact CE2-CG2 4.05Å; F191-T268 HydrophobicContact CZ-CG2 3.82Å; T264-T268 VanDerWaalsContact O-CB 3.26Å; T264-T268 WeakPolarHBondContact O-CB 3.15Å; T264-T268 PolarHBondContact O-N 3.21Å; T264-T268 PolarHBondContact O-OG1 2.93Å; V265-T268 PolarHBondContact O-N 3.1Å; V265-T268 VanDerWaalsContact O-N 3.1Å; T268-R270 PolarHBondContact O-N 3.03Å; T268-L271 HydrophobicContact CG2-CB 3.87Å; T268-L271 HydrophobicContact CG2-CD1 4.47Å; T268-L271 HydrophobicContact CG2-CD2 4.44Å; T268-L271 HydrophobicContact CG2-CG 4.49Å; T268-L271 WeakPolarHBondContact O-CB 3.27Å; T268-L271 PolarHBondContact O-N 3.4Å
269S94.2Very high97Very high89 Ų8976 Ų7662%0.62238%0.382SS*.THydrogen-bonded Turntrans-53.4135.8177.864.70000111.6Q267 L271Q267-S269 PolarHBondContact O-N 3.23Å; S269-L271 VanDerWaalsContact C-N 3.27Å; S269-L271 PolarHBondContact O-N 2.65Å
270R95.6Very high96.9Very high188 Ų18876.7 Ų76.771%0.70939%0.385SS*.THydrogen-bonded Turntrans69.311.6177.9-48.8166.759.1-161.1-3.2115.2T268 D273 Y274T268-R270 PolarHBondContact O-N 3.03Å; R270-D273 HydrophobicContact CB-CB 4.38Å; R270-D273 PolarHBondContact O-N 2.87Å; R270-Y274 WeakPolarHBondContact O-CB 3.46Å; R270-Y274 PolarHBondContact O-N 2.8Å
271L98.1Very high96.9Very high2 Ų279.2 Ų79.21%0.0140%0.403CS..Hα-helixtrans-59.8-48.5177.8-18059.6000111.9L189 F191 L234 L260 V265 T268 S269 D273 Y274 L275 I284L189-L271 HydrophobicContact CD1-CD1 4.32Å; L189-L271 HydrophobicContact CD1-CD2 4.32Å; F191-L271 HydrophobicContact CE1-CD1 4.42Å; L234-L271 HydrophobicContact CD1-CD1 4.01Å; L260-L271 HydrophobicContact CD1-CD2 3.83Å; V265-L271 HydrophobicContact CG1-CD2 4.43Å; V265-L271 HydrophobicContact CG2-CD2 4.26Å; T268-L271 HydrophobicContact CG2-CB 3.87Å; T268-L271 HydrophobicContact CG2-CD1 4.47Å; T268-L271 HydrophobicContact CG2-CD2 4.44Å; T268-L271 HydrophobicContact CG2-CG 4.49Å; T268-L271 WeakPolarHBondContact O-CB 3.27Å; T268-L271 PolarHBondContact O-N 3.4Å; S269-L271 VanDerWaalsContact C-N 3.27Å; S269-L271 PolarHBondContact O-N 2.65Å; L271-D273 PolarHBondContact O-N 2.92Å; L271-Y274 WeakPolarHBondContact O-CB 3.41Å; L271-Y274 PolarHBondContact O-N 3.12Å; L271-L275 HydrophobicContact CD1-CD1 3.82Å; L271-L275 HydrophobicContact CD1-CG 4.24Å; L271-L275 HydrophobicContact CG-CD1 4.15Å; L271-L275 WeakPolarHBondContact O-CG 3.44Å; L271-L275 PolarHBondContact O-N 2.91Å; L271-I284 HydrophobicContact CD2-CD1 4.25Å; L271-I284 HydrophobicContact CG-CD1 4.24Å
272E96.6Very high96.9Very high136 Ų13678.7 Ų78.764%0.63640%0.401SS*.Hα-helixtrans-61.1-45.2177.2-65.5-178.2161.100111.2Y274 L275 S276 I284E272-Y274 VanDerWaalsContact C-N 3.3Å; E272-Y274 PolarHBondContact O-N 3.25Å; E272-L275 PolarHBondContact O-N 3.17Å; E272-S276 VanDerWaalsContact O-CB 3.29Å; E272-S276 WeakPolarHBondContact O-CB 3.1Å; E272-S276 PolarHBondContact O-N 2.95Å; E272-I284 HydrophobicContact CG-CD1 4.23Å
273D97.1Very high97Very high120 Ų12079.1 Ų79.164%0.64239%0.394SS*.Hα-helixtrans-61.3-37.1175.8-65.8-31.9000112.5R270 L271R270-D273 HydrophobicContact CB-CB 4.38Å; R270-D273 PolarHBondContact O-N 2.87Å; L271-D273 PolarHBondContact O-N 2.92Å
274Y98.1Very high97Very high62 Ų6277 Ų7724%0.24339%0.387CS..Hα-helixtrans-70-35.3-179.8177.3-97000112.7F191 W201 F232 L234 R270 L271 E272F191-Y274 AromaticContact CD1-CD1 3.83Å; F191-Y274 HydrophobicContact CD1-CD1 3.83Å; F191-Y274 AromaticContact CD1-CD2 3.57Å; F191-Y274 HydrophobicContact CD1-CD2 3.57Å; F191-Y274 HydrophobicContact CD1-CE1 4.08Å; F191-Y274 AromaticContact CD1-CE2 3.81Å; F191-Y274 HydrophobicContact CD1-CE2 3.81Å; F191-Y274 AromaticContact CD1-CG 3.57Å; F191-Y274 HydrophobicContact CD1-CG 3.57Å; F191-Y274 AromaticContact CE1-CD1 3.74Å; F191-Y274 HydrophobicContact CE1-CD1 3.74Å; F191-Y274 AromaticContact CE1-CD2 3.88Å; F191-Y274 HydrophobicContact CE1-CD2 3.88Å; F191-Y274 HydrophobicContact CE1-CE1 4.42Å; F191-Y274 AromaticContact CE1-CG 3.44Å; F191-Y274 HydrophobicContact CE1-CG 3.44Å; F191-Y274 VanDerWaalsContact CE1-CG 3.44Å; W201-Y274 AromaticContact CD1-CE1 3.62Å; W201-Y274 AromaticContact CD1-CZ 3.71Å; W201-Y274 AromaticContact NE1-CE1 3.86Å; W201-Y274 PolarHBondContact NE1-O 2.97Å; F232-Y274 PolarHBondContact O-OH 2.9Å; L234-Y274 HydrophobicContact CD2-CD1 4.36Å; L234-Y274 HydrophobicContact CD2-CE1 4.1Å; L234-Y274 HydrophobicContact CG-CE1 4.46Å; R270-Y274 WeakPolarHBondContact O-CB 3.46Å; R270-Y274 PolarHBondContact O-N 2.8Å; L271-Y274 WeakPolarHBondContact O-CB 3.41Å; L271-Y274 PolarHBondContact O-N 3.12Å; E272-Y274 VanDerWaalsContact C-N 3.3Å; E272-Y274 PolarHBondContact O-N 3.25Å
275L98Very high97.1Very high6 Ų678.6 Ų78.63%0.03139%0.394CS..Hα-helixtrans-89-14.2178.1-64.7174.5000112.7F232 L258 L271 E272 D277 V282 I284F232-L275 HydrophobicContact CD1-CD2 3.94Å; L258-L275 HydrophobicContact CD2-CD1 3.82Å; L271-L275 HydrophobicContact CD1-CD1 3.82Å; L271-L275 HydrophobicContact CD1-CG 4.24Å; L271-L275 HydrophobicContact CG-CD1 4.15Å; L271-L275 WeakPolarHBondContact O-CG 3.44Å; L271-L275 PolarHBondContact O-N 2.91Å; E272-L275 PolarHBondContact O-N 3.17Å; L275-D277 PolarHBondContact O-N 2.94Å; L275-V282 HydrophobicContact CB-CB 4.29Å; L275-V282 HydrophobicContact CB-CG1 4.19Å; L275-V282 HydrophobicContact CD1-CG1 4.17Å; L275-I284 HydrophobicContact CD1-CD1 4.01Å; L275-I284 HydrophobicContact CD1-CG1 4.29Å
276S96.2Very high97.1Very high91 Ų9179.5 Ų79.564%0.63640%0.401SS*.  trans-68.5119.1177.3-166.60000111.1E272E272-S276 VanDerWaalsContact O-CB 3.29Å; E272-S276 WeakPolarHBondContact O-CB 3.1Å; E272-S276 PolarHBondContact O-N 2.95Å
277D96.5Very high97.1Very high59 Ų5974.3 Ų74.332%0.31637%0.372SS..  trans-144.8149.7177.8-162.6-65.4000110.4W201 Q202 L275 Q279 Y280W201-D277 HydrophobicContact CH2-CB 4.43Å; W201-D277 HydrophobicContact CZ2-CB 4.42Å; Q202-D277 PolarHBondContact NE2-OD2 3.1Å; L275-D277 PolarHBondContact O-N 2.94Å; D277-Q279 PolarHBondContact OD1-N 2.84Å; D277-Y280 HydrophobicContact CB-CD2 4.19Å; D277-Y280 WeakPolarHBondContact OD1-CD2 3.05Å
278K93.2Very high97Very high221 Ų22174.1 Ų74.196%0.96138%0.381SS*.SBendtrans-74.7-29.9179-67-177.7180178.10112.7
279Q95.7Very high97Very high139 Ų13978.1 Ų78.165%0.6540%0.4SS*.SBendtrans-97.6-28.6-176179.1176.8-5.400112.1D277D277-Q279 PolarHBondContact OD1-N 2.84Å
280Y97.2Very high97.2Very high15 Ų1573.9 Ų73.96%0.05937%0.37CS..  trans-113.4109.2-175.6-53.2-96.1000109.8W201 Q202 I205 D206 D277 V282W201-Y280 HydrophobicContact CH2-CG 4.34Å; W201-Y280 HydrophobicContact CZ3-CG 4.33Å; Q202-Y280 HydrophobicContact CB-CD1 4.5Å; Q202-Y280 HydrophobicContact CB-CD2 4Å; Q202-Y280 HydrophobicContact CB-CE1 4.1Å; Q202-Y280 HydrophobicContact CB-CE2 3.58Å; Q202-Y280 HydrophobicContact CB-CG 4.46Å; Q202-Y280 HydrophobicContact CG-CD2 3.51Å; Q202-Y280 HydrophobicContact CG-CE2 3.56Å; Q202-Y280 HydrophobicContact CG-CG 4.06Å; I205-Y280 HydrophobicContact CG2-CD1 3.97Å; I205-Y280 HydrophobicContact CG2-CE1 4.19Å; D206-Y280 VanDerWaalsContact CG-OH 3.31Å; D206-Y280 WeakPolarHBondContact OD1-CE1 2.97Å; D206-Y280 PolarHBondContact OD1-OH 3.43Å; D206-Y280 PolarHBondContact OD2-OH 3.26Å; D277-Y280 HydrophobicContact CB-CD2 4.19Å; D277-Y280 WeakPolarHBondContact OD1-CD2 3.05Å; Y280-V282 PolarHBondContact O-N 2.87Å
281S97.4Very high97.3Very high53 Ų5366.7 Ų66.737%0.37134%0.344SS..EExtended strand (participates in β ladder)trans-79.1112.9173.4171.70000109.5K255 I256K255-S281 CarbonylContact C-O 3.58Å; K255-S281 WeakPolarHBondContact CA-O 3.42Å; I256-S281 PolarHBondContact N-O 2.73Å
282V98.4Very high97.2Very high30 Ų3071.9 Ų71.918%0.18237%0.372CS..EExtended strand (participates in β ladder)trans-115.8124.1172.3-174.70000108.1W201 I256 L258 L275 Y280W201-V282 HydrophobicContact CH2-CG2 3.57Å; W201-V282 HydrophobicContact CZ2-CG2 4.48Å; W201-V282 HydrophobicContact CZ3-CG2 3.85Å; I256-V282 HydrophobicContact CB-CG2 4.25Å; I256-V282 HydrophobicContact CD1-CG2 3.99Å; I256-V282 HydrophobicContact CG2-CG1 4.41Å; I256-V282 WeakPolarHBondContact O-CA 3.45Å; L258-V282 HydrophobicContact CB-CG1 4.44Å; L275-V282 HydrophobicContact CB-CB 4.29Å; L275-V282 HydrophobicContact CB-CG1 4.19Å; L275-V282 HydrophobicContact CD1-CG1 4.17Å; Y280-V282 PolarHBondContact O-N 2.87Å
283E97.9Very high97.3Very high88 Ų8867.7 Ų67.741%0.41135%0.35SS..EExtended strand (participates in β ladder)trans-112.6128.8174.4-68.4-179-171.700109.2I256 L258 H285I256-E283 PolarHBondContact O-N 3.41Å; L258-E283 PolarHBondContact N-O 3.21Å; E283-H285 IonicContact OE2-CE1 3.65Å; E283-H285 IonicContact OE2-NE2 3.27Å
284I98.4Very high97.3Very high53 Ų5362 Ų6227%0.27232%0.32SS..EExtended strand (participates in β ladder)trans-93.6123.2175.6-56.7177.2000108.5L258 L260 V265 L271 E272 L275L258-I284 CarbonylContact O-C 3.53Å; L258-I284 VanDerWaalsContact O-CA 3.31Å; L258-I284 WeakPolarHBondContact O-CA 3.47Å; L260-I284 HydrophobicContact CB-CG2 4.45Å; L260-I284 HydrophobicContact CD1-CG2 4.26Å; V265-I284 HydrophobicContact CG2-CG2 3.88Å; L271-I284 HydrophobicContact CD2-CD1 4.25Å; L271-I284 HydrophobicContact CG-CD1 4.24Å; E272-I284 HydrophobicContact CG-CD1 4.23Å; L275-I284 HydrophobicContact CD1-CD1 4.01Å; L275-I284 HydrophobicContact CD1-CG1 4.29Å
285H98.5Very high97.2Very high35 Ų3562.2 Ų62.216%0.16232%0.323CS..EExtended strand (participates in β ladder)trans-115163.9177.7-57.5-80000110.5D257 L258 F259 L260 E283 Y293D257-H285 IonicContact OD1-CD2 2.83Å; D257-H285 IonicContact OD1-CE1 3.12Å; D257-H285 IonicContact OD1-NE2 3.81Å; D257-H285 PolarHBondContact OD1-NE2 3.14Å; L258-H285 PolarHBondContact O-N 3.49Å; F259-H285 WeakPolarHBondContact CA-O 3.33Å; F259-H285 HydrophobicContact CD1-CB 3.49Å; F259-H285 VanDerWaalsContact CD1-CB 3.49Å; F259-H285 HydrophobicContact CE1-CB 3.56Å; F259-H285 AromaticContact CE1-CD2 3.98Å; F259-H285 AromaticContact CE1-CG 3.88Å; F259-H285 HydrophobicContact CG-CB 4.26Å; F259-H285 HydrophobicContact CZ-CB 4.39Å; F259-H285 AromaticContact CZ-CD2 3.97Å; L260-H285 PolarHBondContact N-O 3.33Å; E283-H285 IonicContact OE2-CE1 3.65Å; E283-H285 IonicContact OE2-NE2 3.27Å; H285-Y293 AromaticContact CE1-CE2 3.79Å; H285-Y293 AromaticContact NE2-CE2 3.94Å
286S98.3Very high97.1Very high43 Ų4365.5 Ų65.530%0.30134%0.343SS..EExtended strand (participates in β ladder)trans-67.4137.5172.9177.30000110.3S288 E289S286-S288 PolarHBondContact O-N 3.39Å; S286-S288 VanDerWaalsContact O-N 3.07Å; S286-S288 PolarHBondContact OG-OG 2.49Å; S286-S288 VanDerWaalsContact OG-OG 3.09Å; S286-E289 WeakPolarHBondContact CB-OE2 3.23Å; S286-E289 PolarHBondContact N-OE2 2.85Å; S286-E289 WeakPolarHBondContact O-CB 3.14Å; S286-E289 PolarHBondContact O-N 2.82Å
287Y98.1Very high96.9Very high26 Ų2662.1 Ų62.110%0.10232%0.321CS..G310 helixtrans-47.3-40.5176.2179.9-90.5000112.8E32 H33 Y248 L260 E289E32-Y287 PolarHBondContact OE1-OH 2.93Å; E32-Y287 VanDerWaalsContact OE1-OH 3.13Å; H33-Y287 AromaticContact CE1-CE2 3.94Å; H33-Y287 AromaticContact NE2-CE2 3.62Å; H33-Y287 AromaticContact NE2-CZ 3.56Å; H33-Y287 PolarHBondContact NE2-OH 3.38Å; Y248-Y287 HydrophobicContact CD2-CD2 4.07Å; Y248-Y287 AromaticContact CD2-CE2 3.67Å; Y248-Y287 HydrophobicContact CD2-CE2 3.67Å; Y248-Y287 HydrophobicContact CE2-CD2 4.25Å; Y248-Y287 HydrophobicContact CE2-CE1 4.13Å; Y248-Y287 AromaticContact CE2-CE2 3.5Å; Y248-Y287 HydrophobicContact CE2-CE2 3.5Å; Y248-Y287 VanDerWaalsContact CE2-CE2 3.5Å; Y248-Y287 AromaticContact CE2-CZ 3.42Å; Y248-Y287 VanDerWaalsContact CE2-CZ 3.42Å; Y248-Y287 WeakPolarHBondContact CE2-OH 3.48Å; L260-Y287 PolarHBondContact O-N 3.22Å; Y287-E289 VanDerWaalsContact C-N 3.25Å; Y287-E289 PolarHBondContact O-N 3.07Å
288S96Very high96.8Very high93 Ų9359.4 Ų59.465%0.6531%0.307SS*.G310 helixtrans-70-15.4-178.859.20000114.8S286S286-S288 PolarHBondContact O-N 3.39Å; S286-S288 VanDerWaalsContact O-N 3.07Å; S286-S288 PolarHBondContact OG-OG 2.49Å; S286-S288 VanDerWaalsContact OG-OG 3.09Å
289E98Very high96.5Very high92 Ų9255 Ų5543%0.4329%0.289SS..G310 helixtrans-84.5-13.4-176.7-67.4173.2150.700112.9S286 Y287 F291 N292 Y293S286-E289 WeakPolarHBondContact CB-OE2 3.23Å; S286-E289 PolarHBondContact N-OE2 2.85Å; S286-E289 WeakPolarHBondContact O-CB 3.14Å; S286-E289 PolarHBondContact O-N 2.82Å; Y287-E289 VanDerWaalsContact C-N 3.25Å; Y287-E289 PolarHBondContact O-N 3.07Å; E289-F291 PolarHBondContact O-N 3.48Å; E289-N292 PolarHBondContact O-N 3.42Å; E289-Y293 WeakPolarHBondContact O-CB 3.37Å; E289-Y293 PolarHBondContact O-N 3.3Å
290F98.3Very high96.1Very high0 Ų054.2 Ų54.20%029%0.29CS..Hα-helixtrans-49.4-52.2-171.5169.9-111.1000114.3V221 Y248 I250 F259 N292 Y293 L294 I323V221-F290 HydrophobicContact CG1-CE2 4.06Å; V221-F290 HydrophobicContact CG1-CZ 3.66Å; Y248-F290 AromaticContact CD1-CD1 3.69Å; Y248-F290 HydrophobicContact CD1-CD1 3.69Å; Y248-F290 HydrophobicContact CD1-CD2 4.28Å; Y248-F290 AromaticContact CD1-CE1 3.47Å; Y248-F290 HydrophobicContact CD1-CE1 3.47Å; Y248-F290 VanDerWaalsContact CD1-CE1 3.47Å; Y248-F290 HydrophobicContact CD1-CE2 4.08Å; Y248-F290 HydrophobicContact CD1-CG 4.09Å; Y248-F290 AromaticContact CD1-CZ 3.67Å; Y248-F290 HydrophobicContact CD1-CZ 3.67Å; Y248-F290 HydrophobicContact CD2-CB 3.66Å; Y248-F290 AromaticContact CD2-CD1 3.55Å; Y248-F290 HydrophobicContact CD2-CD1 3.55Å; Y248-F290 HydrophobicContact CD2-CD2 4.18Å; Y248-F290 HydrophobicContact CD2-CE1 4.22Å; Y248-F290 AromaticContact CD2-CG 3.51Å; Y248-F290 HydrophobicContact CD2-CG 3.51Å; Y248-F290 AromaticContact CE1-CD1 3.91Å; Y248-F290 HydrophobicContact CE1-CD1 3.91Å; Y248-F290 AromaticContact CE1-CE1 3.69Å; Y248-F290 HydrophobicContact CE1-CE1 3.69Å; Y248-F290 HydrophobicContact CE1-CZ 4.3Å; Y248-F290 HydrophobicContact CE2-CB 4.29Å; Y248-F290 AromaticContact CE2-CD1 3.75Å; Y248-F290 HydrophobicContact CE2-CD1 3.75Å; Y248-F290 HydrophobicContact CE2-CE1 4.38Å; Y248-F290 HydrophobicContact CE2-CG 4.15Å; Y248-F290 HydrophobicContact CG-CB 4.09Å; Y248-F290 AromaticContact CG-CD1 3.51Å; Y248-F290 HydrophobicContact CG-CD1 3.51Å; Y248-F290 AromaticContact CG-CD2 3.7Å; Y248-F290 HydrophobicContact CG-CD2 3.7Å; Y248-F290 AromaticContact CG-CE1 3.76Å; Y248-F290 HydrophobicContact CG-CE1 3.76Å; Y248-F290 AromaticContact CG-CE2 3.94Å; Y248-F290 HydrophobicContact CG-CE2 3.94Å; Y248-F290 AromaticContact CG-CG 3.46Å; Y248-F290 HydrophobicContact CG-CG 3.46Å; Y248-F290 VanDerWaalsContact CG-CG 3.46Å; Y248-F290 AromaticContact CG-CZ 3.96Å; Y248-F290 HydrophobicContact CG-CZ 3.96Å; Y248-F290 AromaticContact CZ-CD1 3.94Å; I250-F290 HydrophobicContact CD1-CD2 4.26Å; I250-F290 HydrophobicContact CD1-CE2 3.99Å; I250-F290 HydrophobicContact CG1-CD2 4.44Å; I250-F290 HydrophobicContact CG1-CE2 3.9Å; F259-F290 HydrophobicContact CB-CB 4.34Å; F259-F290 HydrophobicContact CD1-CB 3.85Å; F259-F290 HydrophobicContact CD2-CB 4.43Å; F259-F290 AromaticContact CD2-CD2 3.79Å; F259-F290 HydrophobicContact CD2-CD2 3.79Å; F259-F290 HydrophobicContact CE1-CB 4.31Å; F259-F290 AromaticContact CE2-CD2 3.89Å; F259-F290 HydrophobicContact CE2-CD2 3.89Å; F259-F290 HydrophobicContact CG-CB 3.94Å; F259-F290 HydrophobicContact CG-CD2 4.16Å; F259-F290 HydrophobicContact CZ-CD2 4.33Å; F290-N292 PolarHBondContact O-N 3.23Å; F290-Y293 PolarHBondContact O-N 2.87Å; F290-L294 HydrophobicContact CZ-CD2 4.18Å; F290-L294 VanDerWaalsContact O-CB 3.32Å; F290-L294 WeakPolarHBondContact O-CB 3.48Å; F290-L294 PolarHBondContact O-N 3.12Å; F290-I323 HydrophobicContact CE1-CD1 4.11Å; F290-I323 HydrophobicContact CE1-CG1 3.96Å; F290-I323 HydrophobicContact CZ-CD1 4.28Å; F290-I323 HydrophobicContact CZ-CG1 4.33Å
291F96.9Very high94.9Very high37 Ų3754.4 Ų54.416%0.16229%0.293CS..Hα-helixtrans-66.8-40-175.8-74.1-77.9000113.2R117 E289 E295 A322 I323R117-F291 HydrophobicContact CG-CZ 4.08Å; E289-F291 PolarHBondContact O-N 3.48Å; F291-E295 PolarHBondContact O-N 2.72Å; F291-E295 VanDerWaalsContact O-N 3.13Å; F291-A322 HydrophobicContact CE1-CB 3.71Å; F291-A322 HydrophobicContact CZ-CB 4.08Å; F291-I323 HydrophobicContact CE1-CG1 3.86Å; F291-I323 HydrophobicContact CZ-CG1 4.4Å
292N96.9Very high93.3Very high110 Ų11056.4 Ų56.459%0.58831%0.305SS*.Hα-helixtrans-69.2-39.2177.6-69.5-20.4000110.7E289 F290 T296E289-N292 PolarHBondContact O-N 3.42Å; F290-N292 PolarHBondContact O-N 3.23Å; N292-T296 WeakPolarHBondContact O-CB 3.42Å; N292-T296 PolarHBondContact O-N 3.44Å; N292-T296 PolarHBondContact O-OG1 2.89Å
293Y98.1Very high91.1Very high48 Ų4863.6 Ų63.619%0.18834%0.336CS..Hα-helixtrans-65.5-46.6176.1-169-79.5000111.5I250 K255 D257 F259 H285 E289 F290 E295 T296 A297I250-Y293 HydrophobicContact CD1-CD1 3.84Å; I250-Y293 HydrophobicContact CD1-CE1 4.34Å; K255-Y293 PolarHBondContact NZ-OH 3.4Å; D257-Y293 HydrophobicContact CB-CE1 4.03Å; D257-Y293 VanDerWaalsContact CG-CZ 3.48Å; D257-Y293 PolarHBondContact OD1-OH 3Å; D257-Y293 PolarHBondContact OD2-OH 3.42Å; D257-Y293 VanDerWaalsContact OD2-OH 3.09Å; F259-Y293 HydrophobicContact CE1-CD1 4.34Å; F259-Y293 HydrophobicContact CE1-CD2 4.37Å; F259-Y293 AromaticContact CE1-CG 3.9Å; F259-Y293 HydrophobicContact CE1-CG 3.9Å; F259-Y293 AromaticContact CZ-CD1 3.58Å; F259-Y293 HydrophobicContact CZ-CD1 3.58Å; F259-Y293 HydrophobicContact CZ-CD2 4.28Å; F259-Y293 HydrophobicContact CZ-CE1 4.21Å; F259-Y293 AromaticContact CZ-CG 3.6Å; F259-Y293 HydrophobicContact CZ-CG 3.6Å; H285-Y293 AromaticContact CE1-CE2 3.79Å; H285-Y293 AromaticContact NE2-CE2 3.94Å; E289-Y293 WeakPolarHBondContact O-CB 3.37Å; E289-Y293 PolarHBondContact O-N 3.3Å; F290-Y293 PolarHBondContact O-N 2.87Å; Y293-E295 VanDerWaalsContact C-N 3.34Å; Y293-E295 PolarHBondContact O-N 3.31Å; Y293-T296 CarbonylContact O-C 3.59Å; Y293-T296 WeakPolarHBondContact O-CB 3.31Å; Y293-T296 PolarHBondContact O-N 3.44Å; Y293-T296 VanDerWaalsContact O-N 3.13Å; Y293-A297 HydrophobicContact CD1-CB 4.23Å; Y293-A297 HydrophobicContact CE1-CB 4.09Å; Y293-A297 WeakPolarHBondContact O-CB 3.29Å; Y293-A297 PolarHBondContact O-N 3.25Å
294L97.5Very high88.9Confident0 Ų064.7 Ų64.70%034%0.34CS..Hα-helixtrans-56-49.7177.5174.661.2000110.8V221 I250 F290 T296 A297 V298 I323 K326V221-L294 HydrophobicContact CG2-CD1 3.69Å; I250-L294 HydrophobicContact CD1-CB 4.06Å; I250-L294 HydrophobicContact CD1-CD1 4.02Å; F290-L294 HydrophobicContact CZ-CD2 4.18Å; F290-L294 VanDerWaalsContact O-CB 3.32Å; F290-L294 WeakPolarHBondContact O-CB 3.48Å; F290-L294 PolarHBondContact O-N 3.12Å; L294-T296 VanDerWaalsContact C-N 3.3Å; L294-T296 PolarHBondContact O-N 3.48Å; L294-A297 PolarHBondContact O-N 2.92Å; L294-V298 HydrophobicContact CD1-CG2 3.92Å; L294-V298 HydrophobicContact CG-CG2 4.43Å; L294-V298 WeakPolarHBondContact O-CB 3.18Å; L294-V298 WeakPolarHBondContact O-CG2 3.23Å; L294-V298 PolarHBondContact O-N 2.76Å; L294-I323 HydrophobicContact CD2-CG2 3.98Å; L294-K326 HydrophobicContact CD2-CB 4.17Å; L294-K326 HydrophobicContact CG-CB 4.36Å
295E95.5Very high86.8Confident68 Ų6871.4 Ų71.432%0.31837%0.369SS..Hα-helixtrans-56.8-45.6176.7-173.4162.5-14600111.1F291 Y293 V298 H299 K326F291-E295 PolarHBondContact O-N 2.72Å; F291-E295 VanDerWaalsContact O-N 3.13Å; Y293-E295 VanDerWaalsContact C-N 3.34Å; Y293-E295 PolarHBondContact O-N 3.31Å; E295-V298 PolarHBondContact O-N 3.31Å; E295-H299 PolarHBondContact O-N 3.48Å; E295-H299 VanDerWaalsContact O-N 3.1Å; E295-H299 PolarHBondContact O-ND1 3.46Å; E295-K326 HydrophobicContact CB-CD 4.22Å; E295-K326 HydrophobicContact CG-CD 4.37Å; E295-K326 IonicContact OE1-NZ 3.07Å; E295-K326 PolarHBondContact OE1-NZ 3.44Å; E295-K326 IonicContact OE2-NZ 2.64Å; E295-K326 PolarHBondContact OE2-NZ 3.1Å
296T95.3Very high84.9Confident74 Ų7472.4 Ų72.445%0.45438%0.38SS..Hα-helixtrans-63.9-44177.6-57.70000112.5N292 Y293 L294 V298 H299 N300N292-T296 WeakPolarHBondContact O-CB 3.42Å; N292-T296 PolarHBondContact O-N 3.44Å; N292-T296 PolarHBondContact O-OG1 2.89Å; Y293-T296 CarbonylContact O-C 3.59Å; Y293-T296 WeakPolarHBondContact O-CB 3.31Å; Y293-T296 PolarHBondContact O-N 3.44Å; Y293-T296 VanDerWaalsContact O-N 3.13Å; L294-T296 VanDerWaalsContact C-N 3.3Å; L294-T296 PolarHBondContact O-N 3.48Å; T296-V298 VanDerWaalsContact C-N 3.33Å; T296-V298 PolarHBondContact O-N 2.64Å; T296-H299 PolarHBondContact O-N 3.44Å; T296-N300 VanDerWaalsContact CG2-ND2 3.29Å; T296-N300 WeakPolarHBondContact CG2-ND2 3.19Å; T296-N300 VanDerWaalsContact O-CB 3.27Å; T296-N300 WeakPolarHBondContact O-CB 3.49Å; T296-N300 VanDerWaalsContact O-CG 3.28Å; T296-N300 PolarHBondContact O-N 2.59Å; T296-N300 PolarHBondContact O-ND2 3.49Å
297A93.7Very high83.2Confident20 Ų2076 Ų7617%0.16540%0.402CS..Hα-helixtrans-65.6-36.6-179.200000112.3L219 Y293 L294 S301L219-A297 HydrophobicContact CD1-CB 4.32Å; Y293-A297 HydrophobicContact CD1-CB 4.23Å; Y293-A297 HydrophobicContact CE1-CB 4.09Å; Y293-A297 WeakPolarHBondContact O-CB 3.29Å; Y293-A297 PolarHBondContact O-N 3.25Å; L294-A297 PolarHBondContact O-N 2.92Å; A297-S301 PolarHBondContact O-N 3.1Å; A297-S301 VanDerWaalsContact O-N 3.1Å
298V93Very high81.7Confident2 Ų281.5 Ų81.51%0.01243%0.429CS..Hα-helixtrans-67.8-44.7175.7171.10000111L219 L294 E295 T296 S301 V313 I327 P328 Q331L219-V298 HydrophobicContact CD1-CG2 4.43Å; L294-V298 HydrophobicContact CD1-CG2 3.92Å; L294-V298 HydrophobicContact CG-CG2 4.43Å; L294-V298 WeakPolarHBondContact O-CB 3.18Å; L294-V298 WeakPolarHBondContact O-CG2 3.23Å; L294-V298 PolarHBondContact O-N 2.76Å; E295-V298 PolarHBondContact O-N 3.31Å; T296-V298 VanDerWaalsContact C-N 3.33Å; T296-V298 PolarHBondContact O-N 2.64Å; V298-S301 WeakPolarHBondContact O-CB 3.21Å; V298-S301 PolarHBondContact O-N 2.96Å; V298-V313 HydrophobicContact CG2-CG2 4.15Å; V298-I327 HydrophobicContact CG2-CG1 3.94Å; V298-P328 HydrophobicContact CG1-CG 4.44Å; V298-Q331 VanDerWaalsContact CG1-OE1 3.27Å
299H88.3Confident80.6Confident130 Ų13083.9 Ų83.960%0.60243%0.43SS*.Hα-helixtrans-70-32.8177.9-73.886.9000113.2E295 T296E295-H299 PolarHBondContact O-N 3.48Å; E295-H299 VanDerWaalsContact O-N 3.1Å; E295-H299 PolarHBondContact O-ND1 3.46Å; T296-H299 PolarHBondContact O-N 3.44Å
300N85.9Confident79.7Confident122 Ų12281.6 Ų81.665%0.65242%0.423SS*.THydrogen-bonded Turntrans-87.2-4.1179.4-70.7-22.7000113.7T296T296-N300 VanDerWaalsContact CG2-ND2 3.29Å; T296-N300 WeakPolarHBondContact CG2-ND2 3.19Å; T296-N300 VanDerWaalsContact O-CB 3.27Å; T296-N300 WeakPolarHBondContact O-CB 3.49Å; T296-N300 VanDerWaalsContact O-CG 3.28Å; T296-N300 PolarHBondContact O-N 2.59Å; T296-N300 PolarHBondContact O-ND2 3.49Å
301S73.6Confident79.1Confident18 Ų1881.9 Ų81.913%0.12643%0.426CS..SBendtrans-58.1126.8175.5-171.10000108.3E218 A297 V298 E303 S311E218-S301 PolarHBondContact OE2-OG 3.06Å; A297-S301 PolarHBondContact O-N 3.1Å; A297-S301 VanDerWaalsContact O-N 3.1Å; V298-S301 WeakPolarHBondContact O-CB 3.21Å; V298-S301 PolarHBondContact O-N 2.96Å; S301-E303 PolarHBondContact O-N 2.93Å; S301-S311 WeakPolarHBondContact OG-CB 3.49Å; S301-S311 PolarHBondContact OG-OG 3.44Å
302P61.9Low78.9Confident95 Ų9584.7 Ų84.762%0.61744%0.435SS*.  trans-60.1110.3-176.321.9-30.3000108.4K304 S311P302-K304 VanDerWaalsContact C-N 3.34Å; P302-K304 PolarHBondContact O-N 3.22Å; P302-S311 PolarHBondContact O-OG 3.1Å
303E53.8Low78.9Confident181 Ų18179.6 Ų79.685%0.84641%0.408SS*.  trans-51.7102.7169-71.2-172.8170.400107.1S301 H305S301-E303 PolarHBondContact O-N 2.93Å; E303-H305 PolarHBondContact O-N 3.11Å
304K51Low78.9Confident111 Ų11177.4 Ų77.448%0.48340%0.399SS..  trans-65.694.5169.8-90.2-178.4-177142.50107.9E218 P302 S306E218-K304 IonicContact OE1-NZ 3.47Å; E218-K304 PolarHBondContact OE1-NZ 3.38Å; P302-K304 VanDerWaalsContact C-N 3.34Å; P302-K304 PolarHBondContact O-N 3.22Å; K304-S306 PolarHBondContact O-N 3.27Å
305H55.2Low78.9Confident194 Ų19477.4 Ų77.490%0.89840%0.399SS*.SBendtrans45.83.4150.2-65.4-56.6000120.2E303E303-H305 PolarHBondContact O-N 3.11Å
306S57.2Low78.8Confident56 Ų5675.4 Ų75.439%0.39239%0.391SS..SBendtrans-170.7133.1-177.6-143.50000111.8K304 Q308 Q309K304-S306 PolarHBondContact O-N 3.27Å; S306-Q308 PolarHBondContact O-N 3.3Å; S306-Q308 PolarHBondContact OG-OE1 2.83Å; S306-Q309 PolarHBondContact O-N 3.48Å
307P63.6Low78.5Confident118 Ų11872.6 Ų72.677%0.76637%0.373SS*.THydrogen-bonded Turntrans-49.3-19.5166.7-26.432.6000114.5
308Q66Low78.4Confident143 Ų14373.5 Ų73.567%0.66838%0.378SS*.THydrogen-bonded Turntrans-79.7-13.7-179.1-6974.6700114.3S306S306-Q308 PolarHBondContact O-N 3.3Å; S306-Q308 PolarHBondContact OG-OE1 2.83Å
309Q73.5Confident78.5Confident142 Ų14273.4 Ų73.466%0.66438%0.377SS*.SBendtrans-139.171.2178.2-69.7-170.1-7.400111.4S306S306-Q309 PolarHBondContact O-N 3.48Å
310P77.7Confident78.9Confident44 Ų4467.2 Ų67.229%0.28635%0.349SS..  trans-64.3147.8177.628.1-34.4000111.4R312 N330 Q331P310-R312 PolarHBondContact O-N 3.2Å; P310-N330 HydrophobicContact CG-CB 4.4Å; P310-N330 WeakPolarHBondContact CG-O 3.22Å; P310-Q331 HydrophobicContact CB-CG 4.16Å
311S85.9Confident79.5Confident7 Ų764 Ų645%0.04933%0.328CS..  trans-57.7133.5166.2-64.80000110E218 S301 P302 Q331E218-S311 WeakPolarHBondContact OE2-CB 3.46Å; E218-S311 PolarHBondContact OE2-OG 2.96Å; S301-S311 WeakPolarHBondContact OG-CB 3.49Å; S301-S311 PolarHBondContact OG-OG 3.44Å; P302-S311 PolarHBondContact O-OG 3.1Å; S311-Q331 VanDerWaalsContact O-CB 3.27Å; S311-Q331 WeakPolarHBondContact O-CB 3.36Å; S311-Q331 VanDerWaalsContact O-CG 3.27Å; S311-Q331 WeakPolarHBondContact O-CG 3.27Å
312R93.5Very high80.6Confident96 Ų9663.7 Ų63.736%0.36233%0.326SS..  trans-106.1136.9-175.1-66.4-171.4-69.3-170.3-14.2112.4K215 G216 E218 L219 P310 Q331 L333K215-R312 PolarHBondContact O-NH1 3.32Å; K215-R312 PolarHBondContact O-NH2 3.4Å; G216-R312 PolarHBondContact O-NE 3.36Å; G216-R312 PolarHBondContact O-NH2 3.34Å; E218-R312 PolarHBondContact N-O 3.19Å; L219-R312 PolarHBondContact N-O 3.38Å; P310-R312 PolarHBondContact O-N 3.2Å; R312-Q331 CarbonylContact C-O 3.58Å; R312-Q331 VanDerWaalsContact CA-O 3.3Å; R312-Q331 WeakPolarHBondContact CA-O 3.22Å; R312-L333 HydrophobicContact CB-CB 4.35Å
313V96.8Very high82.3Confident3 Ų359.1 Ų59.12%0.01830%0.297CS..EExtended strand (participates in β ladder)trans-106.5115.9174-172.90000108.4L219 V221 V298 L315 I327 Q331 L333L219-V313 HydrophobicContact CB-CG1 4.16Å; L219-V313 HydrophobicContact CB-CG2 4.34Å; L219-V313 HydrophobicContact CD1-CG2 4.31Å; L219-V313 CarbonylContact O-C 3.49Å; L219-V313 WeakPolarHBondContact O-CA 3.41Å; V221-V313 HydrophobicContact CG2-CG1 3.59Å; V298-V313 HydrophobicContact CG2-CG2 4.15Å; V313-L315 HydrophobicContact CG1-CG 4.46Å; V313-L315 PolarHBondContact O-N 3.19Å; V313-I327 HydrophobicContact CB-CD1 4.17Å; V313-I327 HydrophobicContact CB-CG2 4.05Å; V313-I327 HydrophobicContact CG1-CD1 3.64Å; V313-I327 HydrophobicContact CG1-CG1 4.36Å; V313-I327 HydrophobicContact CG2-CG2 3.98Å; V313-Q331 PolarHBondContact N-O 3.26Å; V313-L333 PolarHBondContact O-N 3.16Å
314W97.8Very high84.4Confident2 Ų250.5 Ų50.51%0.00826%0.257CS..EExtended strand (participates in β ladder)trans-77.5121.1176-165.4-25.1000109.7M211 M212 K215 A217 L219 L220 V221 L333 H335 I336 P338M211-W314 HydrophobicContact CB-CH2 4.35Å; M211-W314 HydrophobicContact CB-CZ3 4.21Å; M212-W314 HydrophobicContact CG-CE3 4.22Å; K215-W314 HydrophobicContact CB-CE3 4.26Å; K215-W314 HydrophobicContact CB-CH2 4.45Å; K215-W314 HydrophobicContact CB-CZ3 3.92Å; K215-W314 HydrophobicContact CG-CE3 4.45Å; K215-W314 HydrophobicContact CG-CH2 3.77Å; K215-W314 HydrophobicContact CG-CZ3 3.73Å; A217-W314 HydrophobicContact CB-CB 3.93Å; A217-W314 HydrophobicContact CB-CE3 4.06Å; L219-W314 PolarHBondContact O-N 3.45Å; L220-W314 HydrophobicContact CD1-CB 3.91Å; L220-W314 HydrophobicContact CD1-CD2 4.4Å; L220-W314 HydrophobicContact CD1-CG 3.94Å; V221-W314 PolarHBondContact N-O 2.85Å; W314-L333 WeakPolarHBondContact CA-O 3.27Å; W314-L333 HydrophobicContact CB-CD2 4.35Å; W314-L333 HydrophobicContact CD2-CD2 4.31Å; W314-L333 HydrophobicContact CG-CD2 4.24Å; W314-H335 HydrophobicContact CZ2-CB 4.24Å; W314-H335 AromaticContact CZ2-ND1 3.96Å; W314-H335 PolarHBondContact NE1-O 3.32Å; W314-H335 VanDerWaalsContact NE1-O 3.1Å; W314-I336 VanDerWaalsContact CZ2-O 3.27Å; W314-I336 WeakPolarHBondContact CZ2-O 3.28Å; W314-I336 PolarHBondContact NE1-O 3.13Å; W314-P338 HydrophobicContact CD2-CG 4.42Å; W314-P338 HydrophobicContact CE3-CG 4.26Å; W314-P338 HydrophobicContact CH2-CB 3.8Å; W314-P338 HydrophobicContact CH2-CG 4.01Å; W314-P338 HydrophobicContact CZ2-CB 4.19Å; W314-P338 HydrophobicContact CZ2-CG 4.18Å; W314-P338 HydrophobicContact CZ3-CB 4.17Å; W314-P338 HydrophobicContact CZ3-CG 4.05Å
315L97.3Very high86.5Confident0 Ų047.9 Ų47.90%025%0.252CS..EExtended strand (participates in β ladder)trans-120.7136.3175.4-62.9162.1000109.6V221 V313 A319 I323 V324 I327 R332 L333 F334 H335V221-L315 HydrophobicContact CB-CD2 4.08Å; V221-L315 HydrophobicContact CG2-CD2 4.31Å; V313-L315 HydrophobicContact CG1-CG 4.46Å; V313-L315 PolarHBondContact O-N 3.19Å; L315-A319 HydrophobicContact CB-CB 4.25Å; L315-A319 HydrophobicContact CD2-CB 4.3Å; L315-I323 HydrophobicContact CD2-CG2 3.7Å; L315-V324 HydrophobicContact CD1-CG2 4.16Å; L315-I327 HydrophobicContact CD1-CD1 3.72Å; L315-I327 HydrophobicContact CD2-CD1 3.65Å; L315-I327 HydrophobicContact CG-CD1 4.03Å; L315-R332 HydrophobicContact CD1-CB 4.41Å; L315-R332 HydrophobicContact CD1-CG 4.24Å; L315-L333 PolarHBondContact N-O 2.73Å; L315-F334 HydrophobicContact CB-CD1 3.89Å; L315-F334 HydrophobicContact CB-CE1 3.82Å; L315-F334 HydrophobicContact CD1-CE1 3.91Å; L315-F334 HydrophobicContact CD1-CZ 3.97Å; L315-F334 WeakPolarHBondContact O-CA 3.48Å; L315-H335 PolarHBondContact O-N 2.94Å; L315-H335 VanDerWaalsContact O-N 3.14Å; L315-H335 VanDerWaalsContact O-O 3.05Å
316D94.3Very high88.5Confident25 Ų2541.2 Ų41.213%0.13422%0.221CC..  trans-70160.5165-17968.7000110.9Y223 S318 A319 H335 I336 S337Y223-D316 WeakPolarHBondContact OH-CB 3.46Å; D316-S318 PolarHBondContact O-N 3.1Å; D316-S318 WeakPolarHBondContact OD2-CB 3.26Å; D316-S318 PolarHBondContact OD2-N 3.1Å; D316-S318 PolarHBondContact OD2-OG 3.38Å; D316-A319 VanDerWaalsContact O-CB 3.24Å; D316-A319 WeakPolarHBondContact O-CB 3.36Å; D316-A319 PolarHBondContact O-N 2.98Å; D316-A319 VanDerWaalsContact O-N 3.14Å; D316-H335 WeakPolarHBondContact CA-O 3.27Å; D316-I336 WeakPolarHBondContact OD1-CA 3.39Å; D316-S337 PolarHBondContact OD1-N 3.39Å; D316-S337 VanDerWaalsContact OD1-N 3.12Å
317L88.5Confident90.3Very high16 Ų1638.7 Ų38.78%0.08420%0.202CC..THydrogen-bonded Turntrans-69.8-21.2-174.9-60.4165.7000113.3T122 A319 F334 I336 M571 I573T122-L317 PolarHBondContact OG1-O 3.15Å; L317-A319 PolarHBondContact O-N 3.41Å; L317-F334 HydrophobicContact CD2-CB 4.03Å; L317-I336 HydrophobicContact CD1-CG1 4.32Å; L317-M571 HydrophobicContact CB-CE 4.36Å; L317-M571 HydrophobicContact CB-SD 3.61Å; L317-M571 HydrophobicContact CD1-CE 3.57Å; L317-M571 HydrophobicContact CD1-SD 3.68Å; L317-M571 HydrophobicContact CD2-SD 4.11Å; L317-M571 HydrophobicContact CG-CE 4.49Å; L317-M571 HydrophobicContact CG-SD 4Å; L317-I573 HydrophobicContact CD1-CD1 3.19Å; L317-I573 HydrophobicContact CD1-CG1 3.86Å
318S91Very high91.8Very high38 Ų3835.4 Ų35.427%0.26618%0.181SC..THydrogen-bonded Turntrans-78.3-1173.9610000113.4F34 Y223 D316 S320F34-S318 WeakPolarHBondContact CD2-O 3.47Å; F34-S318 WeakPolarHBondContact CE2-O 3.44Å; Y223-S318 WeakPolarHBondContact CE2-OG 3.24Å; Y223-S318 PolarHBondContact OH-OG 2.79Å; D316-S318 PolarHBondContact O-N 3.1Å; D316-S318 WeakPolarHBondContact OD2-CB 3.26Å; D316-S318 PolarHBondContact OD2-N 3.1Å; D316-S318 PolarHBondContact OD2-OG 3.38Å; S318-S320 PolarHBondContact O-N 3.21Å
319A96.4Very high93.1Very high0 Ų036 Ų360%018%0.184CC..  trans-59.1131.1-170.700000111.6P120 Y121 Y223 L315 D316 L317 V324P120-A319 CarbonylContact C-O 3.49Å; P120-A319 WeakPolarHBondContact CA-O 3.28Å; Y121-A319 PolarHBondContact N-O 3.39Å; Y223-A319 HydrophobicContact CE1-CB 3.82Å; Y223-A319 VanDerWaalsContact CZ-CA 3.43Å; Y223-A319 WeakPolarHBondContact OH-CA 3.49Å; Y223-A319 PolarHBondContact OH-N 3.11Å; L315-A319 HydrophobicContact CB-CB 4.25Å; L315-A319 HydrophobicContact CD2-CB 4.3Å; D316-A319 VanDerWaalsContact O-CB 3.24Å; D316-A319 WeakPolarHBondContact O-CB 3.36Å; D316-A319 PolarHBondContact O-N 2.98Å; D316-A319 VanDerWaalsContact O-N 3.14Å; L317-A319 PolarHBondContact O-N 3.41Å; A319-V324 HydrophobicContact CB-CG2 3.78Å
320S97Very high94Very high1 Ų134.2 Ų34.21%0.00718%0.179CC..BIsolated β-bridgetrans-61.1149.8-178.469.10000111.2G116 R117 S318 A322 I323 V324G116-S320 WeakPolarHBondContact O-CB 3.44Å; R117-S320 WeakPolarHBondContact O-CB 3.22Å; S318-S320 PolarHBondContact O-N 3.21Å; S320-A322 PolarHBondContact O-N 3.37Å; S320-I323 PolarHBondContact O-N 3.04Å; S320-I323 VanDerWaalsContact O-N 3.12Å; S320-I323 WeakPolarHBondContact OG-CG1 3.4Å; S320-I323 PolarHBondContact OG-N 2.86Å; S320-V324 WeakPolarHBondContact O-CG2 3.32Å; S320-V324 PolarHBondContact O-N 3.34Å
321Y96.9Very high94.7Very high53 Ų5333.7 Ų33.721%0.20817%0.173CC..Hα-helixtrans-53.3-38174-178.9-86.1000111.5Y114 G116 I119 Y121 I124 N157 V324 S325Y114-Y321 HydrophobicContact CE2-CD1 4.09Å; Y114-Y321 HydrophobicContact CE2-CG 4.13Å; G116-Y321 WeakPolarHBondContact O-CB 3.36Å; G116-Y321 PolarHBondContact O-N 2.82Å; I119-Y321 PolarHBondContact O-N 3.37Å; Y121-Y321 AromaticContact CD2-CD2 3.84Å; Y121-Y321 HydrophobicContact CD2-CD2 3.84Å; Y121-Y321 HydrophobicContact CD2-CE2 4.24Å; Y121-Y321 HydrophobicContact CE2-CD2 4.49Å; Y121-Y321 HydrophobicContact CE2-CE2 4.46Å; I124-Y321 HydrophobicContact CB-CD2 4.11Å; I124-Y321 HydrophobicContact CG1-CD2 4.04Å; I124-Y321 HydrophobicContact CG1-CG 4.32Å; I124-Y321 HydrophobicContact CG2-CD2 4.04Å; I124-Y321 HydrophobicContact CG2-CE2 4.2Å; N157-Y321 HydrophobicContact CB-CD1 4.17Å; N157-Y321 HydrophobicContact CB-CE1 3.74Å; Y321-V324 PolarHBondContact O-N 3.32Å; Y321-S325 VanDerWaalsContact O-CB 3.22Å; Y321-S325 WeakPolarHBondContact O-CB 3.09Å; Y321-S325 PolarHBondContact O-N 2.82Å; Y321-S325 PolarHBondContact O-OG 3.32Å
322A97.2Very high95.1Very high12 Ų1236 Ų3610%0.09918%0.18CC..Hα-helixtrans-59.2-46.9177.400000112.6G116 R117 F291 S320 S325G116-A322 PolarHBondContact O-N 3.49Å; R117-A322 HydrophobicContact CB-CB 4.4Å; R117-A322 HydrophobicContact CG-CB 3.59Å; F291-A322 HydrophobicContact CE1-CB 3.71Å; F291-A322 HydrophobicContact CZ-CB 4.08Å; S320-A322 PolarHBondContact O-N 3.37Å; A322-S325 PolarHBondContact O-OG 3Å
323I97.8Very high95.2Very high0 Ų032.8 Ų32.80%017%0.17CC..Hα-helixtrans-64.3-51.2176.9-69.7172.3000110.3V221 Y223 F290 F291 L294 L315 S320 S325 K326 I327V221-I323 HydrophobicContact CG1-CG2 4.04Å; Y223-I323 HydrophobicContact CD1-CD1 3.51Å; Y223-I323 HydrophobicContact CE1-CD1 4.27Å; Y223-I323 HydrophobicContact CG-CD1 3.73Å; F290-I323 HydrophobicContact CE1-CD1 4.11Å; F290-I323 HydrophobicContact CE1-CG1 3.96Å; F290-I323 HydrophobicContact CZ-CD1 4.28Å; F290-I323 HydrophobicContact CZ-CG1 4.33Å; F291-I323 HydrophobicContact CE1-CG1 3.86Å; F291-I323 HydrophobicContact CZ-CG1 4.4Å; L294-I323 HydrophobicContact CD2-CG2 3.98Å; L315-I323 HydrophobicContact CD2-CG2 3.7Å; S320-I323 PolarHBondContact O-N 3.04Å; S320-I323 VanDerWaalsContact O-N 3.12Å; S320-I323 WeakPolarHBondContact OG-CG1 3.4Å; S320-I323 PolarHBondContact OG-N 2.86Å; I323-S325 VanDerWaalsContact C-N 3.26Å; I323-S325 PolarHBondContact O-N 2.91Å; I323-K326 PolarHBondContact O-N 3.42Å; I323-K326 VanDerWaalsContact O-N 3.13Å; I323-I327 HydrophobicContact CG2-CD1 4.46Å
324V97.3Very high95Very high0 Ų035.6 Ų35.60%018%0.182CC..Hα-helixtrans-62.5-35-175.7178.30000111.8Y121 L315 A319 S320 Y321 K326 I327 R332 F334Y121-V324 HydrophobicContact CD1-CG1 4.11Å; Y121-V324 HydrophobicContact CD2-CB 3.92Å; Y121-V324 HydrophobicContact CD2-CG1 3.51Å; Y121-V324 HydrophobicContact CE1-CG1 4.43Å; Y121-V324 HydrophobicContact CE2-CG1 3.87Å; Y121-V324 HydrophobicContact CG-CB 3.96Å; Y121-V324 HydrophobicContact CG-CG1 3.65Å; Y121-V324 HydrophobicContact CG-CG2 4.05Å; L315-V324 HydrophobicContact CD1-CG2 4.16Å; A319-V324 HydrophobicContact CB-CG2 3.78Å; S320-V324 WeakPolarHBondContact O-CG2 3.32Å; S320-V324 PolarHBondContact O-N 3.34Å; Y321-V324 PolarHBondContact O-N 3.32Å; V324-K326 PolarHBondContact O-N 3.15Å; V324-I327 PolarHBondContact O-N 3.31Å; V324-I327 VanDerWaalsContact O-O 3.11Å; V324-R332 PolarHBondContact O-NE 3.42Å; V324-R332 PolarHBondContact O-NH2 3.26Å; V324-F334 HydrophobicContact CB-CZ 4.45Å; V324-F334 HydrophobicContact CG1-CE2 4.49Å; V324-F334 HydrophobicContact CG1-CZ 3.77Å; V324-F334 HydrophobicContact CG2-CE1 3.96Å; V324-F334 HydrophobicContact CG2-CZ 3.76Å
325S96.2Very high94.8Very high55 Ų5537.9 Ų37.939%0.38519%0.193SC..Hα-helixtrans-64.3-21.7179.472.70000113.9Y321 A322 I323 I327Y321-S325 VanDerWaalsContact O-CB 3.22Å; Y321-S325 WeakPolarHBondContact O-CB 3.09Å; Y321-S325 PolarHBondContact O-N 2.82Å; Y321-S325 PolarHBondContact O-OG 3.32Å; A322-S325 PolarHBondContact O-OG 3Å; I323-S325 VanDerWaalsContact C-N 3.26Å; I323-S325 PolarHBondContact O-N 2.91Å; S325-I327 VanDerWaalsContact C-N 3.28Å
326K96.2Very high94.6Very high55 Ų5538.3 Ų38.324%0.23920%0.195CC..THydrogen-bonded Turntrans-80.5-6.9175.2-61.6-54.3-169.7165.50113.8L294 E295 I323 V324L294-K326 HydrophobicContact CD2-CB 4.17Å; L294-K326 HydrophobicContact CG-CB 4.36Å; E295-K326 HydrophobicContact CB-CD 4.22Å; E295-K326 HydrophobicContact CG-CD 4.37Å; E295-K326 IonicContact OE1-NZ 3.07Å; E295-K326 PolarHBondContact OE1-NZ 3.44Å; E295-K326 IonicContact OE2-NZ 2.64Å; E295-K326 PolarHBondContact OE2-NZ 3.1Å; I323-K326 PolarHBondContact O-N 3.42Å; I323-K326 VanDerWaalsContact O-N 3.13Å; V324-K326 PolarHBondContact O-N 3.15Å
327I96.3Very high94.7Very high2 Ų237.2 Ų37.21%0.0119%0.189CC..SBendtrans-116.9123.5-173.8-60159.3000109V298 V313 L315 I323 V324 S325 Q331 R332V298-I327 HydrophobicContact CG2-CG1 3.94Å; V313-I327 HydrophobicContact CB-CD1 4.17Å; V313-I327 HydrophobicContact CB-CG2 4.05Å; V313-I327 HydrophobicContact CG1-CD1 3.64Å; V313-I327 HydrophobicContact CG1-CG1 4.36Å; V313-I327 HydrophobicContact CG2-CG2 3.98Å; L315-I327 HydrophobicContact CD1-CD1 3.72Å; L315-I327 HydrophobicContact CD2-CD1 3.65Å; L315-I327 HydrophobicContact CG-CD1 4.03Å; I323-I327 HydrophobicContact CG2-CD1 4.46Å; V324-I327 PolarHBondContact O-N 3.31Å; V324-I327 VanDerWaalsContact O-O 3.11Å; S325-I327 VanDerWaalsContact C-N 3.28Å; I327-Q331 HydrophobicContact CG2-CB 4.02Å; I327-R332 HydrophobicContact CB-CG 4.25Å; I327-R332 HydrophobicContact CG2-CG 3.69Å; I327-R332 PolarHBondContact O-NE 3.46Å; I327-R332 PolarHBondContact O-NH2 2.82Å
328P94.3Very high95.1Very high49 Ų4936.4 Ų36.432%0.31819%0.185SC..  trans-56.6143.4174.7-26.635.6000112.6V298 N330 Q331 R332V298-P328 HydrophobicContact CG1-CG 4.44Å; P328-N330 VanDerWaalsContact C-N 3.28Å; P328-N330 WeakPolarHBondContact CB-OD1 3.07Å; P328-N330 PolarHBondContact O-N 3.37Å; P328-Q331 HydrophobicContact CB-CG 4.22Å; P328-Q331 HydrophobicContact CG-CG 4.48Å; P328-Q331 WeakPolarHBondContact O-CB 3.47Å; P328-Q331 PolarHBondContact O-N 2.91Å; P328-R332 WeakPolarHBondContact O-CG 3.3Å; P328-R332 PolarHBondContact O-N 3.41Å
329E93.4Very high95.5Very high156 Ų15634.6 Ų34.673%0.72917%0.173SC*.G310 helixtrans-54.7-41.6-174.5-174.2177.817400113.3Q331 R332E329-Q331 PolarHBondContact O-N 2.97Å; E329-R332 PolarHBondContact O-N 3.49Å
330N91.5Very high95.5Very high104 Ų10434.9 Ų34.956%0.55618%0.175SC*.G310 helixtrans-68.6-1217967-36000114.3P310 P328P310-N330 HydrophobicContact CG-CB 4.4Å; P310-N330 WeakPolarHBondContact CG-O 3.22Å; P328-N330 VanDerWaalsContact C-N 3.28Å; P328-N330 WeakPolarHBondContact CB-OD1 3.07Å; P328-N330 PolarHBondContact O-N 3.37Å
331Q93.5Very high95.5Very high33 Ų3337.8 Ų37.815%0.15419%0.188CC..G310 helixtrans-100-9.7177.9-61.6-172.410.900113V298 P310 S311 R312 V313 I327 P328 E329 L333V298-Q331 VanDerWaalsContact CG1-OE1 3.27Å; P310-Q331 HydrophobicContact CB-CG 4.16Å; S311-Q331 VanDerWaalsContact O-CB 3.27Å; S311-Q331 WeakPolarHBondContact O-CB 3.36Å; S311-Q331 VanDerWaalsContact O-CG 3.27Å; S311-Q331 WeakPolarHBondContact O-CG 3.27Å; R312-Q331 CarbonylContact C-O 3.58Å; R312-Q331 VanDerWaalsContact CA-O 3.3Å; R312-Q331 WeakPolarHBondContact CA-O 3.22Å; V313-Q331 PolarHBondContact N-O 3.26Å; I327-Q331 HydrophobicContact CG2-CB 4.02Å; P328-Q331 HydrophobicContact CB-CG 4.22Å; P328-Q331 HydrophobicContact CG-CG 4.48Å; P328-Q331 WeakPolarHBondContact O-CB 3.47Å; P328-Q331 PolarHBondContact O-N 2.91Å; E329-Q331 PolarHBondContact O-N 2.97Å; Q331-L333 PolarHBondContact O-N 2.86Å
332R94.6Very high95.6Very high56 Ų5635.6 Ų35.621%0.21118%0.18CC..EExtended strand (participates in β ladder)trans-77.5123.4-174-62.5171-168.71682.2111.1Y121 L315 V324 I327 P328 E329 F334Y121-R332 PolarHBondContact OH-NH1 3.39Å; L315-R332 HydrophobicContact CD1-CB 4.41Å; L315-R332 HydrophobicContact CD1-CG 4.24Å; V324-R332 PolarHBondContact O-NE 3.42Å; V324-R332 PolarHBondContact O-NH2 3.26Å; I327-R332 HydrophobicContact CB-CG 4.25Å; I327-R332 HydrophobicContact CG2-CG 3.69Å; I327-R332 PolarHBondContact O-NE 3.46Å; I327-R332 PolarHBondContact O-NH2 2.82Å; P328-R332 WeakPolarHBondContact O-CG 3.3Å; P328-R332 PolarHBondContact O-N 3.41Å; E329-R332 PolarHBondContact O-N 3.49Å; R332-F334 HydrophobicContact CB-CD2 4.26Å; R332-F334 HydrophobicContact CB-CE2 3.96Å; R332-F334 HydrophobicContact CG-CE2 4.41Å
333L94.3Very high95.6Very high29 Ų2935.2 Ų35.215%0.15218%0.176CC..EExtended strand (participates in β ladder)trans-111.797.8167176.467.5000109.1K215 A217 R312 V313 W314 L315 Q331K215-L333 HydrophobicContact CB-CD2 4.02Å; A217-L333 HydrophobicContact CB-CD2 4.08Å; R312-L333 HydrophobicContact CB-CB 4.35Å; V313-L333 PolarHBondContact O-N 3.16Å; W314-L333 WeakPolarHBondContact CA-O 3.27Å; W314-L333 HydrophobicContact CB-CD2 4.35Å; W314-L333 HydrophobicContact CD2-CD2 4.31Å; W314-L333 HydrophobicContact CG-CD2 4.24Å; L315-L333 PolarHBondContact N-O 2.73Å; Q331-L333 PolarHBondContact O-N 2.86Å
334F93.3Very high95.6Very high61 Ų6135.4 Ų35.427%0.26818%0.178SC..EExtended strand (participates in β ladder)trans-84.2116.6173.1-74.7-69.8000110.8Y121 L315 L317 V324 R332Y121-F334 HydrophobicContact CD1-CE2 4.35Å; Y121-F334 AromaticContact CD1-CZ 3.93Å; Y121-F334 HydrophobicContact CD1-CZ 3.93Å; Y121-F334 HydrophobicContact CE1-CE2 4.37Å; Y121-F334 HydrophobicContact CE1-CZ 4.37Å; L315-F334 HydrophobicContact CB-CD1 3.89Å; L315-F334 HydrophobicContact CB-CE1 3.82Å; L315-F334 HydrophobicContact CD1-CE1 3.91Å; L315-F334 HydrophobicContact CD1-CZ 3.97Å; L315-F334 WeakPolarHBondContact O-CA 3.48Å; L317-F334 HydrophobicContact CD2-CB 4.03Å; V324-F334 HydrophobicContact CB-CZ 4.45Å; V324-F334 HydrophobicContact CG1-CE2 4.49Å; V324-F334 HydrophobicContact CG1-CZ 3.77Å; V324-F334 HydrophobicContact CG2-CE1 3.96Å; V324-F334 HydrophobicContact CG2-CZ 3.76Å; R332-F334 HydrophobicContact CB-CD2 4.26Å; R332-F334 HydrophobicContact CB-CE2 3.96Å; R332-F334 HydrophobicContact CG-CE2 4.41Å
335H92.8Very high95.6Very high51 Ų5137.9 Ų37.924%0.23619%0.191CC..  trans-159158.2173-165.4-78.6000108.3K215 W314 L315 D316 S337 E341K215-H335 PolarHBondContact NZ-CD2 2.82Å; K215-H335 PolarHBondContact NZ-NE2 3.48Å; W314-H335 HydrophobicContact CZ2-CB 4.24Å; W314-H335 AromaticContact CZ2-ND1 3.96Å; W314-H335 PolarHBondContact NE1-O 3.32Å; W314-H335 VanDerWaalsContact NE1-O 3.1Å; L315-H335 PolarHBondContact O-N 2.94Å; L315-H335 VanDerWaalsContact O-N 3.14Å; L315-H335 VanDerWaalsContact O-O 3.05Å; D316-H335 WeakPolarHBondContact CA-O 3.27Å; H335-S337 PolarHBondContact O-N 2.92Å; H335-E341 IonicContact CE1-OE1 2.6Å; H335-E341 PolarHBondContact CE1-OE1 3.22Å; H335-E341 IonicContact ND1-OE1 3.26Å
336I93.6Very high95.7Very high8 Ų835.4 Ų35.44%0.04117%0.173CC..  trans-49.1133.5172.7-57.3177.4000109.5W314 D316 L317 A340 E341 P557 Y568 I573 P576W314-I336 VanDerWaalsContact CZ2-O 3.27Å; W314-I336 WeakPolarHBondContact CZ2-O 3.28Å; W314-I336 PolarHBondContact NE1-O 3.13Å; D316-I336 WeakPolarHBondContact OD1-CA 3.39Å; L317-I336 HydrophobicContact CD1-CG1 4.32Å; I336-A340 HydrophobicContact CG2-CB 4.44Å; I336-E341 HydrophobicContact CB-CG 4.46Å; I336-E341 HydrophobicContact CG2-CG 3.82Å; I336-P557 HydrophobicContact CG2-CB 3.84Å; I336-P557 HydrophobicContact CG2-CG 3.88Å; I336-Y568 HydrophobicContact CD1-CE1 4.04Å; I336-I573 HydrophobicContact CD1-CD1 4.01Å; I336-I573 HydrophobicContact CG1-CD1 3.89Å; I336-P576 HydrophobicContact CD1-CG 3.17Å
337S96.7Very high95.8Very high2 Ų234.2 Ų34.21%0.01417%0.171CC..  trans-53.6135.7179.4170.60000111.6E227 D316 H335 V339 A340 E341E227-S337 WeakPolarHBondContact OE2-CB 3.32Å; E227-S337 PolarHBondContact OE2-OG 3.24Å; D316-S337 PolarHBondContact OD1-N 3.39Å; D316-S337 VanDerWaalsContact OD1-N 3.12Å; H335-S337 PolarHBondContact O-N 2.92Å; S337-V339 PolarHBondContact O-N 3.43Å; S337-V339 PolarHBondContact OG-N 3.49Å; S337-V339 VanDerWaalsContact OG-N 3.07Å; S337-A340 PolarHBondContact O-N 3.26Å; S337-A340 PolarHBondContact OG-N 2.97Å; S337-E341 PolarHBondContact O-N 3.39Å
338P97.7Very high95.9Very high0 Ų039.9 Ų39.90%020%0.201CC..Hα-helixtrans-63.3-29.217428-33.1000111.5V208 M211 L220 W314 M342V208-P338 HydrophobicContact CG1-CG 4.33Å; M211-P338 HydrophobicContact CB-CB 4.13Å; M211-P338 HydrophobicContact CE-CB 3.51Å; M211-P338 HydrophobicContact SD-CB 3.66Å; L220-P338 HydrophobicContact CD1-CG 4.08Å; L220-P338 HydrophobicContact CD2-CG 3.6Å; L220-P338 HydrophobicContact CG-CG 4.49Å; W314-P338 HydrophobicContact CD2-CG 4.42Å; W314-P338 HydrophobicContact CE3-CG 4.26Å; W314-P338 HydrophobicContact CH2-CB 3.8Å; W314-P338 HydrophobicContact CH2-CG 4.01Å; W314-P338 HydrophobicContact CZ2-CB 4.19Å; W314-P338 HydrophobicContact CZ2-CG 4.18Å; W314-P338 HydrophobicContact CZ3-CB 4.17Å; W314-P338 HydrophobicContact CZ3-CG 4.05Å; P338-M342 VanDerWaalsContact O-CB 3.29Å; P338-M342 WeakPolarHBondContact O-CB 3.49Å; P338-M342 WeakPolarHBondContact O-CG 3.23Å; P338-M342 PolarHBondContact O-N 3Å
339V98.6Very high96.1Very high0 Ų039.6 Ų39.60%020%0.2CC..Hα-helixtrans-73.6-39.8177.8-176.70000110.3V208 L220 L222 E227 W230 L231 S337 M342 K343V208-V339 HydrophobicContact CG2-CG2 3.81Å; L220-V339 HydrophobicContact CD2-CG2 4.36Å; L222-V339 HydrophobicContact CD1-CG2 4.01Å; L222-V339 HydrophobicContact CD2-CG2 4.11Å; E227-V339 HydrophobicContact CB-CB 4.18Å; E227-V339 HydrophobicContact CB-CG1 3.73Å; E227-V339 HydrophobicContact CG-CB 4.32Å; E227-V339 HydrophobicContact CG-CG1 4.13Å; E227-V339 WeakPolarHBondContact O-CG1 3.2Å; E227-V339 WeakPolarHBondContact OE2-CB 3.35Å; W230-V339 HydrophobicContact CE3-CG1 3.68Å; W230-V339 HydrophobicContact CZ3-CG1 4.08Å; L231-V339 HydrophobicContact CB-CG1 4.26Å; L231-V339 HydrophobicContact CD1-CG2 4.38Å; L231-V339 HydrophobicContact CD2-CG2 4.19Å; S337-V339 PolarHBondContact O-N 3.43Å; S337-V339 PolarHBondContact OG-N 3.49Å; S337-V339 VanDerWaalsContact OG-N 3.07Å; V339-M342 PolarHBondContact O-N 2.86Å; V339-K343 WeakPolarHBondContact O-CB 3.5Å; V339-K343 VanDerWaalsContact O-CG 3.31Å; V339-K343 WeakPolarHBondContact O-CG 3.45Å; V339-K343 PolarHBondContact O-N 2.74Å
340A97.3Very high96.3Very high6 Ų632.4 Ų32.45%0.0517%0.166CC..Hα-helixtrans-61-45.2172.900000112I336 S337 S344 P557I336-A340 HydrophobicContact CG2-CB 4.44Å; S337-A340 PolarHBondContact O-N 3.26Å; S337-A340 PolarHBondContact OG-N 2.97Å; A340-S344 WeakPolarHBondContact O-CB 3.48Å; A340-S344 PolarHBondContact O-N 3.42Å; A340-S344 PolarHBondContact O-OG 2.6Å; A340-P557 WeakPolarHBondContact O-CD 3.47Å
341E96.2Very high96.7Very high61 Ų6127.9 Ų27.929%0.28514%0.142SC..Hα-helixtrans-59.9-48.7173.8-71.3-179-176.500111.3M211 H335 I336 S337 S344M211-E341 HydrophobicContact CE-CB 4.48Å; M211-E341 VanDerWaalsContact CE-OE2 3.24Å; M211-E341 WeakPolarHBondContact CE-OE2 3.44Å; H335-E341 IonicContact CE1-OE1 2.6Å; H335-E341 PolarHBondContact CE1-OE1 3.22Å; H335-E341 IonicContact ND1-OE1 3.26Å; I336-E341 HydrophobicContact CB-CG 4.46Å; I336-E341 HydrophobicContact CG2-CG 3.82Å; S337-E341 PolarHBondContact O-N 3.39Å; E341-S344 PolarHBondContact O-OG 2.97Å
342M98.2Very high96.9Very high8 Ų830.6 Ų30.64%0.03916%0.158CC..Hα-helixtrans-65-43.6-177.4-75.6170.749.300113.4K204 R207 V208 M211 W230 P338 V339 S344 I345K204-M342 HydrophobicContact CB-CE 4.25Å; R207-M342 HydrophobicContact CB-CE 3.57Å; R207-M342 HydrophobicContact CB-SD 3.83Å; R207-M342 HydrophobicContact CG-CE 4.44Å; V208-M342 HydrophobicContact CG2-CE 4.1Å; V208-M342 HydrophobicContact CG2-SD 3.76Å; M211-M342 HydrophobicContact SD-CG 3.92Å; M211-M342 HydrophobicContact SD-SD 3.68Å; M211-M342 VanDerWaalsContact SD-SD 3.68Å; W230-M342 HydrophobicContact CH2-CB 3.74Å; W230-M342 HydrophobicContact CH2-CE 3.73Å; W230-M342 HydrophobicContact CZ3-CB 4.06Å; W230-M342 HydrophobicContact CZ3-CE 3.87Å; P338-M342 VanDerWaalsContact O-CB 3.29Å; P338-M342 WeakPolarHBondContact O-CB 3.49Å; P338-M342 WeakPolarHBondContact O-CG 3.23Å; P338-M342 PolarHBondContact O-N 3Å; V339-M342 PolarHBondContact O-N 2.86Å; M342-S344 VanDerWaalsContact C-N 3.33Å; M342-I345 PolarHBondContact O-N 2.86Å
343K97.8Very high97Very high3 Ų328.4 Ų28.41%0.01315%0.153CC..Hα-helixtrans-74-24.6-176.578.2-169.6-178.582.50113D226 E227 W230 V339 I345 K346 E555D226-K343 VanDerWaalsContact OD2-CE 3.23Å; D226-K343 WeakPolarHBondContact OD2-CE 3.41Å; D226-K343 IonicContact OD2-NZ 3.65Å; D226-K343 PolarHBondContact OD2-NZ 3.12Å; E227-K343 HydrophobicContact CG-CD 4.19Å; W230-K343 HydrophobicContact CB-CB 4.35Å; W230-K343 HydrophobicContact CB-CD 4.28Å; W230-K343 HydrophobicContact CD2-CB 3.4Å; W230-K343 VanDerWaalsContact CD2-CB 3.4Å; W230-K343 VanDerWaalsContact CE2-CB 3.48Å; W230-K343 HydrophobicContact CE3-CB 3.92Å; W230-K343 HydrophobicContact CG-CB 3.6Å; W230-K343 HydrophobicContact CG-CD 4.41Å; W230-K343 HydrophobicContact CH2-CB 4.47Å; W230-K343 HydrophobicContact CZ2-CB 4.03Å; W230-K343 HydrophobicContact CZ3-CB 4.42Å; V339-K343 WeakPolarHBondContact O-CB 3.5Å; V339-K343 VanDerWaalsContact O-CG 3.31Å; V339-K343 WeakPolarHBondContact O-CG 3.45Å; V339-K343 PolarHBondContact O-N 2.74Å; K343-I345 PolarHBondContact O-N 3.33Å; K343-K346 WeakPolarHBondContact O-CE 3.47Å; K343-K346 PolarHBondContact O-NZ 3.29Å; K343-E555 VanDerWaalsContact NZ-CD 3.34Å; K343-E555 VanDerWaalsContact NZ-CG 3.3Å; K343-E555 IonicContact NZ-OE1 3.8Å; K343-E555 PolarHBondContact NZ-OE1 2.94Å
344S97.7Very high97.2Very high5 Ų527.1 Ų27.14%0.03515%0.146CC..Hα-helixtrans-65.5-24.717770.40000113A340 E341 M342 M582A340-S344 WeakPolarHBondContact O-CB 3.48Å; A340-S344 PolarHBondContact O-N 3.42Å; A340-S344 PolarHBondContact O-OG 2.6Å; E341-S344 PolarHBondContact O-OG 2.97Å; M342-S344 VanDerWaalsContact C-N 3.33Å; S344-M582 WeakPolarHBondContact O-CG 3.41Å
345I98.3Very high97.4Very high52 Ų5227.8 Ų27.827%0.26715%0.147SC..BIsolated β-bridgetrans-99.9111.5175.8-58.4172.8000108.7M342 K343 Q579 N581 M582M342-I345 PolarHBondContact O-N 2.86Å; K343-I345 PolarHBondContact O-N 3.33Å; I345-Q579 HydrophobicContact CD1-CB 4.27Å; I345-Q579 HydrophobicContact CG1-CB 4.5Å; I345-N581 HydrophobicContact CG2-CB 4.14Å; I345-M582 HydrophobicContact CD1-CE 4.43Å; I345-M582 HydrophobicContact CG1-CE 3.84Å; I345-M582 HydrophobicContact CG1-CG 4.17Å
346K98.4Very high97.6Very high3 Ų330 Ų301%0.01316%0.157CC..  trans-78.4145.3-175.2-52.5-49174.6-173.70112K343 E350 L351 I354 V547 A549 E555 N581 V583K343-K346 WeakPolarHBondContact O-CE 3.47Å; K343-K346 PolarHBondContact O-NZ 3.29Å; K346-E350 HydrophobicContact CB-CB 3.94Å; K346-L351 HydrophobicContact CB-CD2 3.72Å; K346-L351 HydrophobicContact CB-CG 3.85Å; K346-L351 HydrophobicContact CG-CD2 4.13Å; K346-I354 HydrophobicContact CG-CD1 4.3Å; K346-V547 WeakPolarHBondContact CE-O 3.46Å; K346-A549 HydrophobicContact CD-CB 4.32Å; K346-E555 IonicContact NZ-OE1 3.72Å; K346-E555 IonicContact NZ-OE2 2.79Å; K346-E555 PolarHBondContact NZ-OE2 2.83Å; K346-N581 WeakPolarHBondContact CB-O 3.15Å; K346-N581 WeakPolarHBondContact CG-O 3.31Å; K346-N581 PolarHBondContact N-O 2.87Å; K346-N581 VanDerWaalsContact O-CB 3.27Å; K346-N581 WeakPolarHBondContact O-CB 3.23Å; K346-V583 HydrophobicContact CG-CG2 3.58Å
347S97.8Very high97.8Very high30 Ų3030 Ų3021%0.2116%0.158CC..  trans-68.6160.1164.564.70000110.7S349 E350 L351S347-S349 PolarHBondContact O-N 2.97Å; S347-E350 WeakPolarHBondContact CB-OE2 3.49Å; S347-E350 PolarHBondContact N-OE2 3.36Å; S347-E350 PolarHBondContact O-N 2.61Å; S347-E350 VanDerWaalsContact O-N 3.11Å; S347-E350 WeakPolarHBondContact OG-CG 3.12Å; S347-E350 PolarHBondContact OG-N 3.38Å; S347-E350 PolarHBondContact OG-OE2 3.29Å; S347-L351 WeakPolarHBondContact O-CG 3.38Å; S347-L351 PolarHBondContact O-N 3.15Å
348L97.8Very high97.9Very high121 Ų12130.1 Ų30.163%0.63416%0.158SC*.Hα-helixtrans-59.4-34.1175.2-62.6-178.2000112.1L351 N352L348-L351 HydrophobicContact CD2-CD1 4.33Å; L348-L351 PolarHBondContact O-N 2.88Å; L348-N352 WeakPolarHBondContact O-CB 3.29Å; L348-N352 PolarHBondContact O-N 2.75Å; L348-N352 PolarHBondContact O-ND2 3Å
349S98.1Very high97.9Very high42 Ų4230.7 Ų30.729%0.29416%0.161SC..Hα-helixtrans-64-43.4174.5-68.80000112.5S195 F196 S347 N352 G353S195-S349 WeakPolarHBondContact O-CB 3.24Å; S195-S349 PolarHBondContact O-OG 3.26Å; F196-S349 CarbonylContact O-C 3.51Å; F196-S349 WeakPolarHBondContact O-CB 3.06Å; S347-S349 PolarHBondContact O-N 2.97Å; S349-N352 PolarHBondContact O-N 2.9Å; S349-G353 PolarHBondContact O-N 3.14Å
350E98.5Very high97.8Very high5 Ų532.6 Ų32.62%0.02317%0.172CC..Hα-helixtrans-63.5-47.4174.8-76.2163.8130.400110.6F196 W230 K346 S347 N352 G353 I354 A549F196-E350 HydrophobicContact CE2-CB 4.34Å; F196-E350 HydrophobicContact CE2-CG 4.28Å; F196-E350 HydrophobicContact CZ-CG 4.3Å; F196-E350 WeakPolarHBondContact O-CG 3.42Å; F196-E350 PolarHBondContact O-N 2.9Å; W230-E350 PolarHBondContact NE1-OE1 2.97Å; K346-E350 HydrophobicContact CB-CB 3.94Å; S347-E350 WeakPolarHBondContact CB-OE2 3.49Å; S347-E350 PolarHBondContact N-OE2 3.36Å; S347-E350 PolarHBondContact O-N 2.61Å; S347-E350 VanDerWaalsContact O-N 3.11Å; S347-E350 WeakPolarHBondContact OG-CG 3.12Å; S347-E350 PolarHBondContact OG-N 3.38Å; S347-E350 PolarHBondContact OG-OE2 3.29Å; E350-N352 VanDerWaalsContact C-N 3.33Å; E350-N352 PolarHBondContact O-N 3.5Å; E350-G353 PolarHBondContact O-N 3.46Å; E350-I354 WeakPolarHBondContact O-CB 3.26Å; E350-I354 WeakPolarHBondContact O-CG1 3.41Å; E350-I354 PolarHBondContact O-N 3.09Å; E350-A549 HydrophobicContact CB-CB 4.3Å; E350-A549 HydrophobicContact CG-CB 4.15Å
351L98.6Very high97.9Very high10 Ų1032.4 Ų32.45%0.05217%0.17CC..Hα-helixtrans-58.7-42.3177.6-68.2178.4000112.5K346 S347 L348 I354 R355 N581 V583 F605K346-L351 HydrophobicContact CB-CD2 3.72Å; K346-L351 HydrophobicContact CB-CG 3.85Å; K346-L351 HydrophobicContact CG-CD2 4.13Å; S347-L351 WeakPolarHBondContact O-CG 3.38Å; S347-L351 PolarHBondContact O-N 3.15Å; L348-L351 HydrophobicContact CD2-CD1 4.33Å; L348-L351 PolarHBondContact O-N 2.88Å; L351-I354 PolarHBondContact O-N 3.31Å; L351-R355 WeakPolarHBondContact O-CB 3.4Å; L351-R355 PolarHBondContact O-N 2.82Å; L351-N581 HydrophobicContact CD1-CB 3.86Å; L351-N581 WeakPolarHBondContact CD1-OD1 3.49Å; L351-V583 HydrophobicContact CD2-CG2 3.8Å; L351-F605 HydrophobicContact CB-CE2 4.27Å; L351-F605 HydrophobicContact CB-CZ 4.21Å; L351-F605 HydrophobicContact CD2-CD1 3.72Å; L351-F605 HydrophobicContact CD2-CD2 4.28Å; L351-F605 HydrophobicContact CD2-CE1 3.57Å; L351-F605 HydrophobicContact CD2-CE2 4.17Å; L351-F605 HydrophobicContact CD2-CG 4.07Å; L351-F605 HydrophobicContact CD2-CZ 3.82Å; L351-F605 WeakPolarHBondContact O-CZ 3.3Å
352N98.1Very high98Very high89 Ų8929.6 Ų29.648%0.47616%0.157SC..Hα-helixtrans-64.3-43.9176.8-72.4-21000111.5L348 S349 E350 I354 R355 E356L348-N352 WeakPolarHBondContact O-CB 3.29Å; L348-N352 PolarHBondContact O-N 2.75Å; L348-N352 PolarHBondContact O-ND2 3Å; S349-N352 PolarHBondContact O-N 2.9Å; E350-N352 VanDerWaalsContact C-N 3.33Å; E350-N352 PolarHBondContact O-N 3.5Å; N352-I354 VanDerWaalsContact C-N 3.34Å; N352-I354 PolarHBondContact O-N 3.42Å; N352-R355 PolarHBondContact O-N 3.23Å; N352-R355 PolarHBondContact OD1-NH1 3.01Å; N352-E356 WeakPolarHBondContact O-CG 3.37Å; N352-E356 PolarHBondContact O-N 3.47Å
353G97.3Very high97.9Very high11 Ų1129.4 Ų29.411%0.11316%0.157CC..Hα-helixtrans-61.4-41.5175.200000112.9S349 E350 I357 T478S349-G353 PolarHBondContact O-N 3.14Å; E350-G353 PolarHBondContact O-N 3.46Å; G353-I357 WeakPolarHBondContact O-CG2 3.34Å; G353-I357 PolarHBondContact O-N 2.76Å; G353-I357 VanDerWaalsContact O-N 3.15Å; G353-T478 CarbonylContact C-O 3.06Å; G353-T478 PolarHBondContact O-OG1 3.18Å
354I98.4Very high97.9Very high1 Ų130.3 Ų30.31%0.00516%0.162CC..Hα-helixtrans-65-46177-67.8166.7000110.4K346 E350 L351 N352 I357 H358 T478 A549 V583 F605 V650K346-I354 HydrophobicContact CG-CD1 4.3Å; E350-I354 WeakPolarHBondContact O-CB 3.26Å; E350-I354 WeakPolarHBondContact O-CG1 3.41Å; E350-I354 PolarHBondContact O-N 3.09Å; L351-I354 PolarHBondContact O-N 3.31Å; N352-I354 VanDerWaalsContact C-N 3.34Å; N352-I354 PolarHBondContact O-N 3.42Å; I354-I357 VanDerWaalsContact O-CG2 3.3Å; I354-I357 WeakPolarHBondContact O-CG2 3.44Å; I354-I357 PolarHBondContact O-N 2.86Å; I354-H358 WeakPolarHBondContact CG2-ND1 3.31Å; I354-H358 WeakPolarHBondContact O-CB 3.44Å; I354-H358 PolarHBondContact O-N 3.26Å; I354-H358 PolarHBondContact O-ND1 3.01Å; I354-T478 PolarHBondContact N-O 2.75Å; I354-A549 HydrophobicContact CD1-CB 3.94Å; I354-A549 HydrophobicContact CG1-CB 4.43Å; I354-V583 HydrophobicContact CD1-CG2 3.98Å; I354-F605 HydrophobicContact CB-CE1 4.22Å; I354-F605 HydrophobicContact CB-CZ 4.06Å; I354-F605 HydrophobicContact CG2-CE1 3.69Å; I354-F605 HydrophobicContact CG2-CZ 3.83Å; I354-V650 HydrophobicContact CG2-CG1 4.43Å
355R98.1Very high98Very high75 Ų7530 Ų3028%0.28316%0.161SC..Hα-helixtrans-59.5-50178-175.1179.9-71.9116.6-6.6111.3L351 N352 I357 H358 I359 F605 E648L351-R355 WeakPolarHBondContact O-CB 3.4Å; L351-R355 PolarHBondContact O-N 2.82Å; N352-R355 PolarHBondContact O-N 3.23Å; N352-R355 PolarHBondContact OD1-NH1 3.01Å; R355-I357 VanDerWaalsContact C-N 3.31Å; R355-I357 PolarHBondContact O-N 3.36Å; R355-H358 PolarHBondContact O-N 2.82Å; R355-I359 WeakPolarHBondContact O-CG1 3.28Å; R355-I359 PolarHBondContact O-N 3.13Å; R355-I359 VanDerWaalsContact O-N 3.12Å; R355-F605 HydrophobicContact CB-CE2 4.23Å; R355-F605 HydrophobicContact CB-CZ 4.34Å; R355-E648 IonicContact CZ-OE1 2.65Å; R355-E648 IonicContact NE-OE1 3.48Å; R355-E648 PolarHBondContact NE-OE1 2.92Å; R355-E648 IonicContact NH2-OE1 3.68Å; R355-E648 PolarHBondContact NH2-OE1 3.43Å; R355-E648 IonicContact NH2-OE2 3.79Å
356E97.1Very high98Very high98 Ų9827.6 Ų27.646%0.45815%0.148SC..Hα-helixtrans-61.5-39-178.2-75.5-53.9133.200113N352 T360 R687N352-E356 WeakPolarHBondContact O-CG 3.37Å; N352-E356 PolarHBondContact O-N 3.47Å; E356-T360 PolarHBondContact O-N 3.47Å; E356-T360 PolarHBondContact O-OG1 2.8Å; E356-R687 IonicContact OE2-NH2 2.75Å; E356-R687 PolarHBondContact OE2-NH2 3.42Å
357I97.5Very high98Very high9 Ų927.6 Ų27.65%0.04615%0.148CC..Hα-helixtrans-75.3-34.9179.2-163.865.3000112.8G353 I354 R355 I359 T360 D361 Y476 T481G353-I357 WeakPolarHBondContact O-CG2 3.34Å; G353-I357 PolarHBondContact O-N 2.76Å; G353-I357 VanDerWaalsContact O-N 3.15Å; I354-I357 VanDerWaalsContact O-CG2 3.3Å; I354-I357 WeakPolarHBondContact O-CG2 3.44Å; I354-I357 PolarHBondContact O-N 2.86Å; R355-I357 VanDerWaalsContact C-N 3.31Å; R355-I357 PolarHBondContact O-N 3.36Å; I357-I359 VanDerWaalsContact C-N 3.28Å; I357-I359 PolarHBondContact O-N 3.07Å; I357-T360 WeakPolarHBondContact O-CB 3.22Å; I357-T360 PolarHBondContact O-N 2.99Å; I357-T360 VanDerWaalsContact O-N 3.08Å; I357-D361 PolarHBondContact O-N 3.33Å; I357-Y476 HydrophobicContact CD1-CD1 3.47Å; I357-Y476 VanDerWaalsContact CD1-CD1 3.47Å; I357-Y476 HydrophobicContact CD1-CD2 3.88Å; I357-Y476 HydrophobicContact CD1-CE1 3.94Å; I357-Y476 HydrophobicContact CD1-CE2 4.29Å; I357-Y476 HydrophobicContact CD1-CG 3.43Å; I357-Y476 VanDerWaalsContact CD1-CG 3.43Å; I357-Y476 HydrophobicContact CG1-CD1 3.86Å; I357-Y476 HydrophobicContact CG1-CD2 3.25Å; I357-Y476 HydrophobicContact CG1-CE1 4.35Å; I357-Y476 HydrophobicContact CG1-CE2 3.8Å; I357-Y476 HydrophobicContact CG1-CG 3.27Å; I357-T481 HydrophobicContact CG2-CG2 4.3Å
358H98.2Very high98Very high3 Ų326.1 Ų26.11%0.01414%0.138CC..Hα-helixtrans-64-32.6174-81.574.1000112.3I354 R355 T360 S362 T480 V650I354-H358 WeakPolarHBondContact CG2-ND1 3.31Å; I354-H358 WeakPolarHBondContact O-CB 3.44Å; I354-H358 PolarHBondContact O-N 3.26Å; I354-H358 PolarHBondContact O-ND1 3.01Å; R355-H358 PolarHBondContact O-N 2.82Å; H358-T360 VanDerWaalsContact C-N 3.32Å; H358-S362 WeakPolarHBondContact O-CB 3.31Å; H358-S362 PolarHBondContact O-N 3.29Å; H358-S362 PolarHBondContact O-OG 3.38Å; H358-T480 PolarHBondContact CE1-O 2.98Å; H358-T480 VanDerWaalsContact CE1-O 3.27Å; H358-V650 HydrophobicContact CB-CG1 3.67Å
359I98Very high98.1Very high13 Ų1320.4 Ų20.47%0.06711%0.108CC..Hα-helixtrans-61.1-45.2171.5-64.2167.1000110.2R355 I357 L363 L652 V683 L684 R687R355-I359 WeakPolarHBondContact O-CG1 3.28Å; R355-I359 PolarHBondContact O-N 3.13Å; R355-I359 VanDerWaalsContact O-N 3.12Å; I357-I359 VanDerWaalsContact C-N 3.28Å; I357-I359 PolarHBondContact O-N 3.07Å; I359-L363 WeakPolarHBondContact O-CB 3.24Å; I359-L363 PolarHBondContact O-N 3.1Å; I359-L363 VanDerWaalsContact O-N 3.08Å; I359-L652 HydrophobicContact CG1-CD1 4.05Å; I359-V683 HydrophobicContact CD1-CG1 3.69Å; I359-V683 HydrophobicContact CG1-CG1 3.76Å; I359-V683 HydrophobicContact CG2-CG1 3.95Å; I359-L684 HydrophobicContact CG2-CD2 3.85Å; I359-R687 HydrophobicContact CG2-CB 4.18Å; I359-R687 HydrophobicContact CG2-CG 4.17Å
360T97Very high98.1Very high39 Ų3918.6 Ų18.624%0.23910%0.095CC..Hα-helixtrans-65.3-49.4179.7-52.50000111.4E356 I357 H358 L363 V364 A429 R687E356-T360 PolarHBondContact O-N 3.47Å; E356-T360 PolarHBondContact O-OG1 2.8Å; I357-T360 WeakPolarHBondContact O-CB 3.22Å; I357-T360 PolarHBondContact O-N 2.99Å; I357-T360 VanDerWaalsContact O-N 3.08Å; H358-T360 VanDerWaalsContact C-N 3.32Å; T360-L363 PolarHBondContact O-N 3.15Å; T360-V364 WeakPolarHBondContact O-CG2 3.47Å; T360-V364 PolarHBondContact O-N 2.89Å; T360-V364 VanDerWaalsContact O-N 3.07Å; T360-A429 HydrophobicContact CG2-CB 3.98Å; T360-R687 PolarHBondContact OG1-NH1 3.2Å
361D97.9Very high98.1Very high2 Ų218.3 Ų18.31%0.0119%0.094CC..Hα-helixtrans-65.4-39.7179.9-163.869.6000112I357 L363 V364 L365 R426 Y476 T481I357-D361 PolarHBondContact O-N 3.33Å; D361-L363 VanDerWaalsContact C-N 3.31Å; D361-L363 PolarHBondContact O-N 3.08Å; D361-V364 WeakPolarHBondContact O-CB 3.3Å; D361-V364 PolarHBondContact O-N 3.19Å; D361-L365 PolarHBondContact O-N 3.36Å; D361-R426 WeakPolarHBondContact OD1-CD 3.11Å; D361-R426 IonicContact OD1-CZ 2.84Å; D361-R426 IonicContact OD1-NE 3.61Å; D361-R426 PolarHBondContact OD1-NE 2.84Å; D361-R426 IonicContact OD1-NH2 3.23Å; D361-R426 IonicContact OD2-CZ 3.83Å; D361-R426 IonicContact OD2-NE 2.86Å; D361-R426 IonicContact OD2-NH2 2.84Å; D361-R426 PolarHBondContact OD2-NH2 3.39Å; D361-Y476 HydrophobicContact CB-CE2 4.31Å; D361-Y476 PolarHBondContact OD1-OH 3.44Å; D361-T481 HydrophobicContact CB-CG2 3.8Å; D361-T481 PolarHBondContact OD1-OG1 2.78Å; D361-T481 WeakPolarHBondContact OD2-CB 3.26Å; D361-T481 PolarHBondContact OD2-OG1 2.93Å
362S98.6Very high98Very high2 Ų217.9 Ų17.91%0.0149%0.092CC..Hα-helixtrans-62-39.5174.8-62.10000111.5H358 L365 C366 L652H358-S362 WeakPolarHBondContact O-CB 3.31Å; H358-S362 PolarHBondContact O-N 3.29Å; H358-S362 PolarHBondContact O-OG 3.38Å; S362-L365 PolarHBondContact O-N 2.96Å; S362-C366 WeakPolarHBondContact O-CB 3.37Å; S362-C366 PolarHBondContact O-N 2.88Å; S362-C366 PolarHBondContact O-SG 3.16Å; S362-L652 PolarHBondContact OG-N 3.44Å
363L97.7Very high98Very high5 Ų513.8 Ų13.83%0.0267%0.07CC..Hα-helixtrans-66.4-39.1175.9-178.859.1000111.9I359 T360 D361 C366 D367 L684 R687 I688 I726I359-L363 WeakPolarHBondContact O-CB 3.24Å; I359-L363 PolarHBondContact O-N 3.1Å; I359-L363 VanDerWaalsContact O-N 3.08Å; T360-L363 PolarHBondContact O-N 3.15Å; D361-L363 VanDerWaalsContact C-N 3.31Å; D361-L363 PolarHBondContact O-N 3.08Å; L363-C366 PolarHBondContact O-N 2.62Å; L363-D367 PolarHBondContact O-N 2.94Å; L363-L684 HydrophobicContact CB-CD2 4.5Å; L363-R687 HydrophobicContact CD2-CG 3.9Å; L363-I688 HydrophobicContact CD1-CD1 3.79Å; L363-I688 HydrophobicContact CD1-CG1 3.67Å; L363-I688 HydrophobicContact CD2-CG1 4.07Å; L363-I726 HydrophobicContact CD1-CD1 4.39Å
364V97.8Very high97.9Very high21 Ų2114.2 Ų14.213%0.1277%0.074CC..Hα-helixtrans-59.6-48.7173.6171.70000110.5T360 D361 C366 D367 F368 L422 L425 R426T360-V364 WeakPolarHBondContact O-CG2 3.47Å; T360-V364 PolarHBondContact O-N 2.89Å; T360-V364 VanDerWaalsContact O-N 3.07Å; D361-V364 WeakPolarHBondContact O-CB 3.3Å; D361-V364 PolarHBondContact O-N 3.19Å; V364-C366 PolarHBondContact O-N 3.06Å; V364-D367 PolarHBondContact O-N 3Å; V364-F368 PolarHBondContact O-N 2.86Å; V364-L422 HydrophobicContact CG1-CD1 4.27Å; V364-L425 HydrophobicContact CG1-CB 3.85Å; V364-R426 HydrophobicContact CG1-CG 3.88Å
365L98.5Very high97.8Very high0 Ų014.5 Ų14.50%08%0.075CC..Hα-helixtrans-65.9-38.9178.7-175.655000111.9D361 S362 F368 L369 L422 V470 V483 V653D361-L365 PolarHBondContact O-N 3.36Å; S362-L365 PolarHBondContact O-N 2.96Å; L365-F368 HydrophobicContact CD1-CD1 3.99Å; L365-F368 PolarHBondContact O-N 2.82Å; L365-L369 HydrophobicContact CD1-CD1 4.19Å; L365-L369 HydrophobicContact CD1-CD2 4.41Å; L365-L369 HydrophobicContact CD1-CG 4.01Å; L365-L369 HydrophobicContact CG-CD1 4Å; L365-L369 HydrophobicContact CG-CG 4.28Å; L365-L369 WeakPolarHBondContact O-CB 3.35Å; L365-L369 VanDerWaalsContact O-CG 3.27Å; L365-L369 WeakPolarHBondContact O-CG 3.2Å; L365-L369 PolarHBondContact O-N 3.22Å; L365-L422 HydrophobicContact CD1-CD1 4.3Å; L365-L422 HydrophobicContact CD1-CD2 4.04Å; L365-V470 HydrophobicContact CD1-CG1 4.13Å; L365-V483 HydrophobicContact CD2-CB 4.32Å; L365-V483 HydrophobicContact CD2-CG1 3.6Å; L365-V483 HydrophobicContact CD2-CG2 3.72Å; L365-V653 HydrophobicContact CB-CG2 4.34Å; L365-V653 HydrophobicContact CD2-CG1 4.23Å; L365-V653 HydrophobicContact CD2-CG2 4.15Å; L365-V653 HydrophobicContact CG-CG1 4.31Å; L365-V653 HydrophobicContact CG-CG2 4.47Å
366C98.7Very high97.6Very high0 Ų010.9 Ų10.90%06%0.062CC..Hα-helixtrans-63.2-42175-70.60000112.4S362 L363 V364 L369 A370 W725 I726S362-C366 WeakPolarHBondContact O-CB 3.37Å; S362-C366 PolarHBondContact O-N 2.88Å; S362-C366 PolarHBondContact O-SG 3.16Å; L363-C366 PolarHBondContact O-N 2.62Å; V364-C366 PolarHBondContact O-N 3.06Å; C366-L369 PolarHBondContact O-N 3.15Å; C366-A370 WeakPolarHBondContact O-CB 3.28Å; C366-A370 PolarHBondContact O-N 2.59Å; C366-W725 HydrophobicContact CB-CE3 4.35Å; C366-W725 HydrophobicContact CB-CZ3 3.99Å; C366-I726 HydrophobicContact CB-CD1 4.19Å; C366-I726 HydrophobicContact CB-CG1 4.23Å
367D98.3Very high97.4Very high3 Ų38.5 Ų8.52%0.0165%0.052CC..Hα-helixtrans-64.4-41.8176.5-167.411.9000111.2L363 V364 A370 W371 G403 S718 R719 R721 C722L363-D367 PolarHBondContact O-N 2.94Å; V364-D367 PolarHBondContact O-N 3Å; D367-A370 PolarHBondContact O-N 3.32Å; D367-W371 WeakPolarHBondContact O-CB 3.48Å; D367-W371 PolarHBondContact O-N 2.74Å; D367-G403 PolarHBondContact OD2-N 3.2Å; D367-S718 PolarHBondContact OD1-OG 3.23Å; D367-S718 PolarHBondContact OD2-OG 3.3Å; D367-R719 IonicContact OD2-NH1 3.42Å; D367-R719 PolarHBondContact OD2-NH1 3.11Å; D367-R721 IonicContact OD1-CZ 2.81Å; D367-R721 IonicContact OD1-NH2 3.43Å; D367-R721 PolarHBondContact OD1-NH2 3.25Å; D367-C722 HydrophobicContact CB-CB 4.19Å
368F98.6Very high97Very high0 Ų012.2 Ų12.20%07%0.07CC..Hα-helixtrans-60.6-50.5174.1170.5-98.1000112.4V364 L365 A370 W371 L372 Y421 L422 L425 Y468V364-F368 PolarHBondContact O-N 2.86Å; L365-F368 HydrophobicContact CD1-CD1 3.99Å; L365-F368 PolarHBondContact O-N 2.82Å; F368-A370 VanDerWaalsContact C-N 3.34Å; F368-A370 PolarHBondContact O-N 2.78Å; F368-W371 HydrophobicContact CD2-CE3 4.1Å; F368-W371 HydrophobicContact CD2-CZ3 4.21Å; F368-W371 HydrophobicContact CE2-CE3 4.22Å; F368-W371 AromaticContact CE2-CZ3 3.9Å; F368-W371 HydrophobicContact CE2-CZ3 3.9Å; F368-W371 PolarHBondContact O-N 3.06Å; F368-L372 HydrophobicContact CE1-CD2 4.31Å; F368-L372 HydrophobicContact CZ-CD2 4.26Å; F368-L372 WeakPolarHBondContact O-CB 3.41Å; F368-L372 PolarHBondContact O-N 3.44Å; F368-Y421 HydrophobicContact CD2-CD1 4.08Å; F368-Y421 HydrophobicContact CE2-CD1 4.13Å; F368-L422 HydrophobicContact CB-CD1 3.91Å; F368-L422 HydrophobicContact CD1-CD1 4.23Å; F368-L422 HydrophobicContact CD1-CD2 4.36Å; F368-L422 HydrophobicContact CD2-CB 4.15Å; F368-L422 HydrophobicContact CD2-CD1 4.32Å; F368-L422 HydrophobicContact CE1-CD2 4.42Å; F368-L422 HydrophobicContact CE2-CB 4.13Å; F368-L422 HydrophobicContact CG-CB 4.44Å; F368-L422 HydrophobicContact CG-CD1 3.89Å; F368-L422 HydrophobicContact CZ-CB 4.43Å; F368-L425 HydrophobicContact CB-CD1 3.9Å; F368-L425 HydrophobicContact CD2-CD1 3.93Å; F368-L425 HydrophobicContact CG-CD1 4.38Å; F368-Y468 AromaticContact CE1-CE1 3.83Å; F368-Y468 HydrophobicContact CE1-CE1 3.83Å; F368-Y468 HydrophobicContact CZ-CE1 4.19Å
369L98.7Very high96.4Very high1 Ų115.1 Ų15.11%0.0058%0.084CC..Hα-helixtrans-66-37.1179.7-65.9174.7000111.8L365 C366 L372 E373 V470 R485 I487 V653 W725L365-L369 HydrophobicContact CD1-CD1 4.19Å; L365-L369 HydrophobicContact CD1-CD2 4.41Å; L365-L369 HydrophobicContact CD1-CG 4.01Å; L365-L369 HydrophobicContact CG-CD1 4Å; L365-L369 HydrophobicContact CG-CG 4.28Å; L365-L369 WeakPolarHBondContact O-CB 3.35Å; L365-L369 VanDerWaalsContact O-CG 3.27Å; L365-L369 WeakPolarHBondContact O-CG 3.2Å; L365-L369 PolarHBondContact O-N 3.22Å; C366-L369 PolarHBondContact O-N 3.15Å; L369-L372 PolarHBondContact O-N 3.4Å; L369-E373 WeakPolarHBondContact O-CB 3.41Å; L369-E373 PolarHBondContact O-N 2.75Å; L369-V470 HydrophobicContact CD2-CG1 4.18Å; L369-R485 HydrophobicContact CD1-CB 4.29Å; L369-R485 HydrophobicContact CD1-CG 4.37Å; L369-I487 HydrophobicContact CD2-CD1 3.88Å; L369-I487 HydrophobicContact CD2-CG1 4.45Å; L369-I487 HydrophobicContact CD2-CG2 4.49Å; L369-V653 HydrophobicContact CD1-CG1 4.01Å; L369-W725 HydrophobicContact CB-CH2 3.93Å; L369-W725 HydrophobicContact CB-CZ2 3.78Å; L369-W725 HydrophobicContact CD1-CH2 4.09Å; L369-W725 HydrophobicContact CD1-CZ2 4.48Å
370A98.3Very high95.6Very high3 Ų316.3 Ų16.33%0.0259%0.091CC..Hα-helixtrans-63.7-41.817500000112.4C366 D367 F368 G374 R721 W725C366-A370 WeakPolarHBondContact O-CB 3.28Å; C366-A370 PolarHBondContact O-N 2.59Å; D367-A370 PolarHBondContact O-N 3.32Å; F368-A370 VanDerWaalsContact C-N 3.34Å; F368-A370 PolarHBondContact O-N 2.78Å; A370-G374 PolarHBondContact O-N 3.47Å; A370-R721 HydrophobicContact CB-CG 4.48Å; A370-W725 HydrophobicContact CB-CB 3.38Å; A370-W725 HydrophobicContact CB-CD2 3.82Å; A370-W725 HydrophobicContact CB-CE3 4.3Å; A370-W725 HydrophobicContact CB-CG 3.4Å
371W98Very high94.8Very high0 Ų020.8 Ų20.80%011%0.113CC..Hα-helixtrans-63.4-52.1173.2166.374000111.4D367 F368 E373 G374 E375 P396 N400 A402 P409 L413 Y421D367-W371 WeakPolarHBondContact O-CB 3.48Å; D367-W371 PolarHBondContact O-N 2.74Å; F368-W371 HydrophobicContact CD2-CE3 4.1Å; F368-W371 HydrophobicContact CD2-CZ3 4.21Å; F368-W371 HydrophobicContact CE2-CE3 4.22Å; F368-W371 AromaticContact CE2-CZ3 3.9Å; F368-W371 HydrophobicContact CE2-CZ3 3.9Å; F368-W371 PolarHBondContact O-N 3.06Å; W371-E373 PolarHBondContact O-N 3.37Å; W371-G374 WeakPolarHBondContact O-CA 3.33Å; W371-G374 PolarHBondContact O-N 2.84Å; W371-E375 HydrophobicContact CZ2-CG 4.37Å; W371-E375 WeakPolarHBondContact O-CG 3.45Å; W371-E375 PolarHBondContact O-N 3.27Å; W371-P396 HydrophobicContact CZ2-CB 3.78Å; W371-P396 HydrophobicContact CZ2-CG 4.1Å; W371-N400 PolarHBondContact NE1-O 2.9Å; W371-A402 HydrophobicContact CB-CB 3.98Å; W371-A402 HydrophobicContact CG-CB 4.23Å; W371-P409 HydrophobicContact CH2-CB 4.13Å; W371-P409 HydrophobicContact CZ2-CB 3.41Å; W371-P409 VanDerWaalsContact CZ2-CB 3.41Å; W371-P409 HydrophobicContact CZ2-CG 4.28Å; W371-L413 HydrophobicContact CH2-CD1 3.87Å; W371-L413 HydrophobicContact CH2-CD2 3.79Å; W371-L413 HydrophobicContact CZ2-CD1 4.44Å; W371-L413 HydrophobicContact CZ2-CD2 4.41Å; W371-L413 HydrophobicContact CZ3-CD1 4.47Å; W371-Y421 AromaticContact CD2-CE1 3.96Å; W371-Y421 HydrophobicContact CD2-CE1 3.96Å; W371-Y421 HydrophobicContact CE3-CD1 4.04Å; W371-Y421 AromaticContact CE3-CE1 3.73Å; W371-Y421 HydrophobicContact CE3-CE1 3.73Å; W371-Y421 AromaticContact CH2-CD1 3.78Å; W371-Y421 HydrophobicContact CH2-CD1 3.78Å; W371-Y421 AromaticContact CH2-CE1 3.79Å; W371-Y421 HydrophobicContact CH2-CE1 3.79Å; W371-Y421 HydrophobicContact CZ2-CD1 4.47Å; W371-Y421 HydrophobicContact CZ2-CE1 4.05Å; W371-Y421 AromaticContact CZ3-CD1 3.55Å; W371-Y421 HydrophobicContact CZ3-CD1 3.55Å; W371-Y421 AromaticContact CZ3-CE1 3.64Å; W371-Y421 HydrophobicContact CZ3-CE1 3.64Å
372L98.1Very high93.7Very high0 Ų027.1 Ų27.10%015%0.147CC..Hα-helixtrans-60.4-47-176.7-177.562000112.2F368 L369 G374 E375 A376 L413 I462 Y468 L489F368-L372 HydrophobicContact CE1-CD2 4.31Å; F368-L372 HydrophobicContact CZ-CD2 4.26Å; F368-L372 WeakPolarHBondContact O-CB 3.41Å; F368-L372 PolarHBondContact O-N 3.44Å; L369-L372 PolarHBondContact O-N 3.4Å; L372-G374 VanDerWaalsContact C-N 3.3Å; L372-G374 PolarHBondContact O-N 3.33Å; L372-E375 PolarHBondContact O-N 2.87Å; L372-A376 PolarHBondContact O-N 2.58Å; L372-A376 VanDerWaalsContact O-N 3.11Å; L372-L413 HydrophobicContact CD1-CD1 3.58Å; L372-I462 HydrophobicContact CD1-CG2 4.29Å; L372-Y468 HydrophobicContact CD2-CD1 3.59Å; L372-Y468 HydrophobicContact CD2-CD2 4.47Å; L372-Y468 HydrophobicContact CD2-CE1 3.7Å; L372-Y468 HydrophobicContact CD2-CG 4Å; L372-L489 HydrophobicContact CD1-CD1 4.44Å; L372-L489 HydrophobicContact CD2-CD1 4.4Å; L372-L489 HydrophobicContact CD2-CD2 4.19Å; L372-L489 HydrophobicContact CG-CD1 4.25Å; L372-L489 HydrophobicContact CG-CD2 3.88Å
373E97Very high92.1Very high4 Ų429 Ų292%0.01916%0.161CC..Hα-helixtrans-64.6-35.8175.3-170.5179.8-121.900111.4L369 W371 A376 N377 Q656 K658 W725 R728 Q729L369-E373 WeakPolarHBondContact O-CB 3.41Å; L369-E373 PolarHBondContact O-N 2.75Å; W371-E373 PolarHBondContact O-N 3.37Å; E373-A376 PolarHBondContact O-N 3.14Å; E373-N377 WeakPolarHBondContact O-CB 3.41Å; E373-N377 PolarHBondContact O-N 3.14Å; E373-N377 PolarHBondContact O-ND2 2.87Å; E373-Q656 PolarHBondContact OE1-NE2 3.23Å; E373-K658 VanDerWaalsContact OE1-CE 3.25Å; E373-K658 WeakPolarHBondContact OE1-CE 3.31Å; E373-K658 IonicContact OE1-NZ 2.8Å; E373-W725 PolarHBondContact OE2-NE1 2.98Å; E373-R728 IonicContact OE2-CZ 3.65Å; E373-R728 IonicContact OE2-NH2 3.68Å; E373-R728 PolarHBondContact OE2-NH2 3.21Å; E373-Q729 PolarHBondContact OE2-NE2 2.78Å
374G95.8Very high90Very high20 Ų2035.4 Ų35.421%0.20620%0.204CC..Hα-helixtrans-61.4-46.1175.500000113.3A370 W371 L372 N377 Q378A370-G374 PolarHBondContact O-N 3.47Å; W371-G374 WeakPolarHBondContact O-CA 3.33Å; W371-G374 PolarHBondContact O-N 2.84Å; L372-G374 VanDerWaalsContact C-N 3.3Å; L372-G374 PolarHBondContact O-N 3.33Å; G374-N377 PolarHBondContact O-N 3.28Å; G374-Q378 WeakPolarHBondContact O-CG 3.32Å; G374-Q378 PolarHBondContact O-N 3.13Å
375E95.6Very high87.6Confident6 Ų638.2 Ų38.23%0.02822%0.224CC..Hα-helixtrans-67.8-37177.6-62.9-61.912800111.7W371 L372 I394 P396 N397 N400W371-E375 HydrophobicContact CZ2-CG 4.37Å; W371-E375 WeakPolarHBondContact O-CG 3.45Å; W371-E375 PolarHBondContact O-N 3.27Å; L372-E375 PolarHBondContact O-N 2.87Å; E375-I394 HydrophobicContact CB-CG2 4.01Å; E375-P396 HydrophobicContact CG-CB 3.94Å; E375-P396 WeakPolarHBondContact OE2-CA 3.45Å; E375-P396 WeakPolarHBondContact OE2-CB 3.47Å; E375-N397 PolarHBondContact OE2-N 3.37Å; E375-N400 PolarHBondContact OE1-ND2 3.16Å
376A94.8Very high85.3Confident0 Ų047.2 Ų47.20%026%0.263CS..Hα-helixtrans-63-44.617400000112.4L372 E373 Q378 I379 N380 I394 N464 L489L372-A376 PolarHBondContact O-N 2.58Å; L372-A376 VanDerWaalsContact O-N 3.11Å; E373-A376 PolarHBondContact O-N 3.14Å; A376-Q378 PolarHBondContact O-N 2.51Å; A376-I379 PolarHBondContact O-N 2.68Å; A376-N380 PolarHBondContact O-N 3.47Å; A376-N380 PolarHBondContact O-ND2 2.74Å; A376-I394 HydrophobicContact CB-CD1 3.93Å; A376-N464 HydrophobicContact CB-CB 4.25Å; A376-L489 HydrophobicContact CB-CB 3.88Å; A376-L489 HydrophobicContact CB-CD2 4.31Å
377N92.6Very high82.8Confident48 Ų4856 Ų5626%0.25730%0.304SS..Hα-helixtrans-64.6-38.5-179.3-71.9-25.5000112.7E373 G374 I379 N380 D381E373-N377 WeakPolarHBondContact O-CB 3.41Å; E373-N377 PolarHBondContact O-N 3.14Å; E373-N377 PolarHBondContact O-ND2 2.87Å; G374-N377 PolarHBondContact O-N 3.28Å; N377-I379 PolarHBondContact O-N 2.81Å; N377-N380 WeakPolarHBondContact O-CB 3.4Å; N377-N380 PolarHBondContact O-N 2.75Å; N377-N380 VanDerWaalsContact O-N 3.11Å; N377-D381 PolarHBondContact O-N 3.04Å
378Q88.8Confident80.3Confident87 Ų8759.3 Ų59.341%0.40733%0.327SS..Hα-helixtrans-59.3-34.6176.9-72.7178.627.800112.7G374 A376 N382G374-Q378 WeakPolarHBondContact O-CG 3.32Å; G374-Q378 PolarHBondContact O-N 3.13Å; A376-Q378 PolarHBondContact O-N 2.51Å; Q378-N382 WeakPolarHBondContact O-CB 3.44Å; Q378-N382 VanDerWaalsContact O-CG 3.31Å; Q378-N382 PolarHBondContact O-N 3.48Å; Q378-N382 PolarHBondContact O-ND2 2.96Å
379I85.5Confident78.1Confident63 Ų6366 Ų6632%0.32336%0.358SS..Hα-helixtrans-72.6-42.5176.3-63.2168.8000110.2A376 N377 D381 N382 S383 I394 N464A376-I379 PolarHBondContact O-N 2.68Å; N377-I379 PolarHBondContact O-N 2.81Å; I379-D381 VanDerWaalsContact C-N 3.33Å; I379-D381 PolarHBondContact O-N 2.8Å; I379-N382 PolarHBondContact O-N 3.09Å; I379-S383 PolarHBondContact O-N 3.01Å; I379-S383 VanDerWaalsContact O-N 3.15Å; I379-I394 HydrophobicContact CD1-CB 4.17Å; I379-I394 HydrophobicContact CD1-CG1 3.91Å; I379-I394 HydrophobicContact CD1-CG2 3.96Å; I379-N464 HydrophobicContact CB-CB 4.2Å; I379-N464 HydrophobicContact CG2-CB 4.23Å; I379-N464 WeakPolarHBondContact CG2-ND2 3.28Å
380N80.7Confident76.2Confident38 Ų3869.3 Ų69.320%0.20338%0.376CS..Hα-helixtrans-59.2-43.3177.3-69.6-27.9000111.8A376 N377 S383 N464A376-N380 PolarHBondContact O-N 3.47Å; A376-N380 PolarHBondContact O-ND2 2.74Å; N377-N380 WeakPolarHBondContact O-CB 3.4Å; N377-N380 PolarHBondContact O-N 2.75Å; N377-N380 VanDerWaalsContact O-N 3.11Å; N380-S383 PolarHBondContact O-OG 3.07Å; N380-N464 PolarHBondContact ND2-O 3.16Å; N380-N464 PolarHBondContact OD1-ND2 3.04Å
381D80.7Confident74.9Confident134 Ų13477.1 Ų77.172%0.71741%0.406SS*.Hα-helixtrans-70.6-33.2-179.2-70.3-23.6000113.3N377 I379N377-D381 PolarHBondContact O-N 3.04Å; I379-D381 VanDerWaalsContact C-N 3.33Å; I379-D381 PolarHBondContact O-N 2.8Å
382N74.3Confident74.5Confident135 Ų13583.4 Ų83.472%0.72243%0.433SS*.Hα-helixtrans-83.7-13.7180-73.7-41.7000113.9Q378 I379 C384Q378-N382 WeakPolarHBondContact O-CB 3.44Å; Q378-N382 VanDerWaalsContact O-CG 3.31Å; Q378-N382 PolarHBondContact O-N 3.48Å; Q378-N382 PolarHBondContact O-ND2 2.96Å; I379-N382 PolarHBondContact O-N 3.09Å; N382-C384 PolarHBondContact O-N 2.83Å
383S65.4Low74.3Confident42 Ų4285.4 Ų85.429%0.29445%0.446SS..  trans-74.1107178.172.50000110.8I379 N380 C385I379-S383 PolarHBondContact O-N 3.01Å; I379-S383 VanDerWaalsContact O-N 3.15Å; N380-S383 PolarHBondContact O-OG 3.07Å; S383-C385 PolarHBondContact O-N 3.38Å
384C53.2Low74.2Confident138 Ų13885.2 Ų85.293%0.93245%0.446SS*.SBendtrans-58.7-15.5170.2-82.50000112.9N382N382-C384 PolarHBondContact O-N 2.83Å
385C48.6Very low74.1Confident80 Ų8091.5 Ų91.554%0.54147%0.467SS..  trans-121.389.1-176.6-45.90000109S383 Q387S383-C385 PolarHBondContact O-N 3.38Å; C385-Q387 PolarHBondContact O-N 3.3Å
386K50Low74Confident190 Ų19091.8 Ų91.883%0.82647%0.469SS*.THydrogen-bonded Turntrans-63.818.4173.9-66.2-170.4174.8-170.50114.6
387Q45.9Very low73.8Confident183 Ų18395.2 Ų95.286%0.85549%0.488SS*.THydrogen-bonded Turntrans-134.3-5.4-171.1-69.9-173.6-7.700114.7C385 H389C385-Q387 PolarHBondContact O-N 3.3Å; Q387-H389 PolarHBondContact O-N 2.96Å
388S46.1Very low73.4Confident74 Ų7495.7 Ų95.752%0.51749%0.492SS..  trans-84107.6167.258.20000108.3D390S388-D390 PolarHBondContact O-N 2.62Å
389H53Low73.2Confident139 Ų13999.8 Ų99.864%0.64451%0.511SS*.  trans-62.370.9158-66.9-69.3000108.4Q387 Y391Q387-H389 PolarHBondContact O-N 2.96Å; H389-Y391 HydrophobicContact CB-CD2 4.45Å; H389-Y391 HydrophobicContact CB-CE2 3.93Å; H389-Y391 WeakPolarHBondContact O-CD2 3.48Å; H389-Y391 PolarHBondContact O-N 3.37Å; H389-Y391 VanDerWaalsContact O-N 3.14Å
390D57.3Low73.4Confident71 Ų7198.6 Ų98.638%0.3851%0.506SS..  trans-80.896.8177.2-147.6-1.5000105.2S388 K392S388-D390 PolarHBondContact O-N 2.62Å; D390-K392 PolarHBondContact O-N 2.82Å; D390-K392 WeakPolarHBondContact OD1-CE 3.37Å; D390-K392 IonicContact OD1-NZ 3.67Å; D390-K392 PolarHBondContact OD1-NZ 3.45Å; D390-K392 WeakPolarHBondContact OD2-CD 3.25Å; D390-K392 WeakPolarHBondContact OD2-CE 3.22Å; D390-K392 IonicContact OD2-NZ 3.55Å; D390-K392 PolarHBondContact OD2-NZ 2.7Å
391Y72.6Confident74.1Confident167 Ų16796.9 Ų96.966%0.65550%0.497SS*.  trans-6630.6178.5-68.2-89.3000112.9H389H389-Y391 HydrophobicContact CB-CD2 4.45Å; H389-Y391 HydrophobicContact CB-CE2 3.93Å; H389-Y391 WeakPolarHBondContact O-CD2 3.48Å; H389-Y391 PolarHBondContact O-N 3.37Å; H389-Y391 VanDerWaalsContact O-N 3.14Å
392K89Confident74.8Confident132 Ų13290.5 Ų90.557%0.57446%0.463SS*.PPolyproline II helixtrans-75.9135.7180-73.2177.4-176.1152.70109D390D390-K392 PolarHBondContact O-N 2.82Å; D390-K392 WeakPolarHBondContact OD1-CE 3.37Å; D390-K392 IonicContact OD1-NZ 3.67Å; D390-K392 PolarHBondContact OD1-NZ 3.45Å; D390-K392 WeakPolarHBondContact OD2-CD 3.25Å; D390-K392 WeakPolarHBondContact OD2-CE 3.22Å; D390-K392 IonicContact OD2-NZ 3.55Å; D390-K392 PolarHBondContact OD2-NZ 2.7Å
393P93.7Very high75.7Confident42 Ų4284.3 Ų84.327%0.27343%0.432SS..PPolyproline II helixtrans-62141.5174.525.6-33.3000110.4K395 V412 L413 P461 I462P393-K395 PolarHBondContact O-N 3.32Å; P393-V412 HydrophobicContact CB-CG1 3.47Å; P393-V412 VanDerWaalsContact CB-CG1 3.47Å; P393-V412 HydrophobicContact CG-CG1 3.5Å; P393-V412 VanDerWaalsContact CG-CG1 3.5Å; P393-L413 WeakPolarHBondContact CB-O 3.33Å; P393-P461 HydrophobicContact CB-CB 3.72Å; P393-P461 HydrophobicContact CG-CB 4.38Å; P393-I462 WeakPolarHBondContact CA-O 3.32Å
394I95Very high76.9Confident1 Ų186.3 Ų86.31%0.00544%0.438CS..PPolyproline II helixtrans-58.4133.8172.4-63.8175000108.6E375 A376 I379 L413 I462 L489E375-I394 HydrophobicContact CB-CG2 4.01Å; A376-I394 HydrophobicContact CB-CD1 3.93Å; I379-I394 HydrophobicContact CD1-CB 4.17Å; I379-I394 HydrophobicContact CD1-CG1 3.91Å; I379-I394 HydrophobicContact CD1-CG2 3.96Å; I394-L413 HydrophobicContact CB-CB 4.2Å; I394-L413 HydrophobicContact CB-CD1 3.86Å; I394-L413 HydrophobicContact CB-CG 4.04Å; I394-L413 HydrophobicContact CD1-CD1 4.47Å; I394-L413 HydrophobicContact CG2-CD1 3.73Å; I394-L413 HydrophobicContact CG2-CG 4.12Å; I394-L413 PolarHBondContact O-N 2.86Å; I394-I462 HydrophobicContact CD1-CG2 4.43Å; I394-I462 WeakPolarHBondContact CG1-O 3.44Å; I394-I462 PolarHBondContact N-O 3.22Å; I394-L489 HydrophobicContact CD1-CD1 4.34Å
395K94.2Very high78.7Confident152 Ų15284.4 Ų84.466%0.66142%0.424SS*.  trans-113.796.8171.7-66.1-175.7-178.2179.70107.7P393 V412P393-K395 PolarHBondContact O-N 3.32Å; K395-V412 HydrophobicContact CG-CG2 4.39Å
396P93.6Very high80.9Confident11 Ų1184.2 Ų84.27%0.07142%0.42CS..  trans-72.4157.1-169.331.9-37.2000111.4W371 E375 T398 P409 P410 L413W371-P396 HydrophobicContact CZ2-CB 3.78Å; W371-P396 HydrophobicContact CZ2-CG 4.1Å; E375-P396 HydrophobicContact CG-CB 3.94Å; E375-P396 WeakPolarHBondContact OE2-CA 3.45Å; E375-P396 WeakPolarHBondContact OE2-CB 3.47Å; P396-T398 PolarHBondContact O-N 2.91Å; P396-P409 HydrophobicContact CB-CB 4.38Å; P396-P409 HydrophobicContact CB-CG 4.29Å; P396-P409 HydrophobicContact CG-CB 3.97Å; P396-P409 HydrophobicContact CG-CG 4.12Å; P396-P410 WeakPolarHBondContact CD-O 3.17Å; P396-P410 WeakPolarHBondContact CG-O 3.48Å; P396-L413 HydrophobicContact CG-CD2 3.95Å; P396-L413 HydrophobicContact CG-CG 4.35Å
397N89.6Confident83.1Confident73 Ų7377 Ų7739%0.3939%0.391SS..  trans-66.4117.2168.5-178.6-11000109.9E375 E399 N400E375-N397 PolarHBondContact OE2-N 3.37Å; N397-E399 PolarHBondContact O-N 3.32Å; N397-E399 VanDerWaalsContact O-N 3.1Å; N397-E399 PolarHBondContact OD1-N 3.19Å; N397-N400 HydrophobicContact CB-CB 4.08Å; N397-N400 PolarHBondContact O-N 3.26Å
398T85Confident85.5Confident57 Ų5775 Ų7535%0.3538%0.379SS..THydrogen-bonded Turntrans-64.8-15-177.753.40000114.7P396 L411P396-T398 PolarHBondContact O-N 2.91Å; T398-L411 HydrophobicContact CG2-CD2 3.88Å
399E84.9Confident87.9Confident173 Ų17371.8 Ų71.881%0.80836%0.356SS*.THydrogen-bonded Turntrans-92.7-9.3177.1-60.1-176.1172.600113.1N397N397-E399 PolarHBondContact O-N 3.32Å; N397-E399 VanDerWaalsContact O-N 3.1Å; N397-E399 PolarHBondContact OD1-N 3.19Å
400N88Confident89.9Confident38 Ų3866.7 Ų66.720%0.20334%0.335CS..SBendtrans-113.144-173.5-172.739.3000112.9W371 E375 N397 R721W371-N400 PolarHBondContact NE1-O 2.9Å; E375-N400 PolarHBondContact OE1-ND2 3.16Å; N397-N400 HydrophobicContact CB-CB 4.08Å; N397-N400 PolarHBondContact O-N 3.26Å; N400-R721 PolarHBondContact O-NH1 3.34Å; N400-R721 PolarHBondContact OD1-NH1 2.9Å
401G95.1Very high91.7Very high2 Ų269.1 Ų69.12%0.02135%0.348CS..  trans-66.9171.117800000114.6Y421 S718 R721G401-Y421 WeakPolarHBondContact CA-OH 3.14Å; G401-S718 PolarHBondContact O-OG 2.91Å; G401-R721 PolarHBondContact O-NH1 3.37Å; G401-R721 VanDerWaalsContact O-NH1 3.13Å; G401-R721 PolarHBondContact O-NH2 3.22Å; G401-R721 VanDerWaalsContact O-NH2 3.1Å
402A96.4Very high92.8Very high0 Ų063.9 Ų63.90%033%0.333CS..  trans-90.7170.3164.800000111.7W371 V406 I407 Y421 L425W371-A402 HydrophobicContact CB-CB 3.98Å; W371-A402 HydrophobicContact CG-CB 4.23Å; A402-V406 WeakPolarHBondContact O-CA 3.17Å; A402-I407 PolarHBondContact O-N 3.49Å; A402-Y421 HydrophobicContact CB-CE1 4.24Å; A402-Y421 PolarHBondContact N-OH 3.17Å; A402-L425 VanDerWaalsContact C-CD2 3.45Å; A402-L425 HydrophobicContact CB-CD1 3.82Å; A402-L425 HydrophobicContact CB-CD2 3.94Å; A402-L425 WeakPolarHBondContact O-CD2 3.19Å
403G93.5Very high93.2Very high6 Ų657.6 Ų57.66%0.06231%0.306CS..THydrogen-bonded Turntrans95.2168.5175.100000114.2D367 P405 V406D367-G403 PolarHBondContact OD2-N 3.2Å; G403-P405 CarbonylContact C-O 3.5Å; G403-P405 CarbonylContact O-C 3.57Å; G403-V406 WeakPolarHBondContact O-CA 3.31Å; G403-V406 WeakPolarHBondContact O-CG2 3.31Å; G403-V406 PolarHBondContact O-N 3.45Å
404L90.6Very high93.3Very high83 Ų8357.2 Ų57.244%0.43530%0.303SS..THydrogen-bonded Turntrans-142.3105.1178.1-17265.7000109.6Q428 E691L404-Q428 VanDerWaalsContact N-OE1 3.15Å; L404-E691 WeakPolarHBondContact CD2-OE2 3.27Å
405P91.7Very high93.4Very high99 Ų9957.2 Ų57.264%0.64330%0.303SS*.THydrogen-bonded Turncis-63.1155.1-2.429.9-36.1000112.1G403 I407 Q428G403-P405 CarbonylContact C-O 3.5Å; G403-P405 CarbonylContact O-C 3.57Å; P405-I407 PolarHBondContact O-N 2.95Å; P405-Q428 PolarHBondContact O-NE2 2.85Å; P405-Q428 PolarHBondContact O-OE1 3.15Å
406V94.1Very high93.5Very high75 Ų7550.3 Ų50.346%0.45527%0.274SS..THydrogen-bonded Turntrans-59.3129.8-178.9171.90000110.9A402 G403A402-V406 WeakPolarHBondContact O-CA 3.17Å; G403-V406 WeakPolarHBondContact O-CA 3.31Å; G403-V406 WeakPolarHBondContact O-CG2 3.31Å; G403-V406 PolarHBondContact O-N 3.45Å
407I95.5Very high93.6Very high40 Ų4050.4 Ų50.421%0.20528%0.275CS..PPolyproline II helixtrans-92.1133.7171.6-54.1-174000108.8A402 P405 Y421 A424 L425 Q428A402-I407 PolarHBondContact O-N 3.49Å; P405-I407 PolarHBondContact O-N 2.95Å; I407-Y421 HydrophobicContact CB-CE2 3.83Å; I407-Y421 HydrophobicContact CG2-CD2 4.29Å; I407-Y421 HydrophobicContact CG2-CE2 3.76Å; I407-Y421 PolarHBondContact O-OH 3.41Å; I407-A424 VanDerWaalsContact CD1-C 3.47Å; I407-A424 HydrophobicContact CD1-CB 3.83Å; I407-A424 WeakPolarHBondContact CD1-O 3.06Å; I407-L425 HydrophobicContact CB-CD2 4.31Å; I407-L425 HydrophobicContact CD1-CD2 3.94Å; I407-L425 HydrophobicContact CD1-CG 4.43Å; I407-L425 HydrophobicContact CG1-CD2 4.11Å; I407-Q428 HydrophobicContact CD1-CG 3.88Å; I407-Q428 HydrophobicContact CG1-CG 4.48Å
408K96.2Very high94Very high141 Ų14147 Ų4761%0.61326%0.257SS*.PPolyproline II helixtrans-60.4124174.3-174.2178.7-179.2179.10110.2
409P96.9Very high94.6Very high5 Ų544.6 Ų44.63%0.03224%0.243CC..PPolyproline II helixtrans-71.5161.8179.129.8-34.6000112.8W371 P396 Y421W371-P409 HydrophobicContact CH2-CB 4.13Å; W371-P409 HydrophobicContact CZ2-CB 3.41Å; W371-P409 VanDerWaalsContact CZ2-CB 3.41Å; W371-P409 HydrophobicContact CZ2-CG 4.28Å; P396-P409 HydrophobicContact CB-CB 4.38Å; P396-P409 HydrophobicContact CB-CG 4.29Å; P396-P409 HydrophobicContact CG-CB 3.97Å; P396-P409 HydrophobicContact CG-CG 4.12Å; P409-Y421 HydrophobicContact CB-CE1 4.33Å; P409-Y421 HydrophobicContact CB-CE2 4.26Å
410P95.7Very high95.2Very high32 Ų3241.3 Ų41.321%0.20823%0.228CC..PPolyproline II helixtrans-58.1151.9172.4-21.232.1000112.2P396 V412 L413 Y421P396-P410 WeakPolarHBondContact CD-O 3.17Å; P396-P410 WeakPolarHBondContact CG-O 3.48Å; P410-V412 VanDerWaalsContact C-N 3.3Å; P410-V412 PolarHBondContact O-N 3.48Å; P410-L413 HydrophobicContact CB-CD2 4.19Å; P410-L413 HydrophobicContact CG-CD2 4.27Å; P410-Y421 HydrophobicContact CG-CG 4.47Å
411L95.3Very high95.6Very high123 Ų12339.9 Ų39.964%0.64422%0.219SC*.SBendtrans-70.6-26.9-179.6-65.7176.2000113.5T398T398-L411 HydrophobicContact CG2-CD2 3.88Å
412V95.5Very high95.8Very high57 Ų5739.8 Ų39.835%0.34522%0.218SC..SBendtrans-142.6131.8-179.1-1780000106.9P393 K395 P410 S417P393-V412 HydrophobicContact CB-CG1 3.47Å; P393-V412 VanDerWaalsContact CB-CG1 3.47Å; P393-V412 HydrophobicContact CG-CG1 3.5Å; P393-V412 VanDerWaalsContact CG-CG1 3.5Å; K395-V412 HydrophobicContact CG-CG2 4.39Å; P410-V412 VanDerWaalsContact C-N 3.3Å; P410-V412 PolarHBondContact O-N 3.48Å; V412-S417 PolarHBondContact O-OG 2.83Å
413L96.7Very high95.9Very high0 Ų041.6 Ų41.60%023%0.228CC..  trans-88.7118.8-179.7-55.4-166.7000111.4W371 L372 P393 I394 P396 P410 T418 I462W371-L413 HydrophobicContact CH2-CD1 3.87Å; W371-L413 HydrophobicContact CH2-CD2 3.79Å; W371-L413 HydrophobicContact CZ2-CD1 4.44Å; W371-L413 HydrophobicContact CZ2-CD2 4.41Å; W371-L413 HydrophobicContact CZ3-CD1 4.47Å; L372-L413 HydrophobicContact CD1-CD1 3.58Å; P393-L413 WeakPolarHBondContact CB-O 3.33Å; I394-L413 HydrophobicContact CB-CB 4.2Å; I394-L413 HydrophobicContact CB-CD1 3.86Å; I394-L413 HydrophobicContact CB-CG 4.04Å; I394-L413 HydrophobicContact CD1-CD1 4.47Å; I394-L413 HydrophobicContact CG2-CD1 3.73Å; I394-L413 HydrophobicContact CG2-CG 4.12Å; I394-L413 PolarHBondContact O-N 2.86Å; P396-L413 HydrophobicContact CG-CD2 3.95Å; P396-L413 HydrophobicContact CG-CG 4.35Å; P410-L413 HydrophobicContact CB-CD2 4.19Å; P410-L413 HydrophobicContact CG-CD2 4.27Å; L413-T418 HydrophobicContact CB-CG2 4.22Å; L413-T418 HydrophobicContact CD1-CG2 4.38Å; L413-T418 HydrophobicContact CD2-CG2 4.3Å; L413-I462 HydrophobicContact CB-CB 3.94Å; L413-I462 HydrophobicContact CB-CG1 4.32Å; L413-I462 PolarHBondContact O-N 3.04Å
414T96.7Very high96.1Very high34 Ų3442.8 Ų42.821%0.20924%0.237CC..BIsolated β-bridgetrans-127.4162.6166.171.60000108.8A416 S417 T418 D459 A460T414-A416 VanDerWaalsContact C-N 3.28Å; T414-A416 PolarHBondContact O-N 3.22Å; T414-S417 PolarHBondContact N-OG 3.33Å; T414-S417 PolarHBondContact O-N 2.89Å; T414-S417 VanDerWaalsContact O-N 3.07Å; T414-S417 PolarHBondContact O-OG 3.5Å; T414-S417 PolarHBondContact OG1-N 2.67Å; T414-S417 PolarHBondContact OG1-OG 3.37Å; T414-T418 PolarHBondContact O-N 3Å; T414-T418 PolarHBondContact O-OG1 2.69Å; T414-D459 WeakPolarHBondContact CB-OD2 3.48Å; T414-D459 PolarHBondContact OG1-OD2 3.37Å; T414-A460 WeakPolarHBondContact CA-O 3.16Å
415E96.5Very high96.5Very high0 Ų039 Ų390%022%0.218CC..Hα-helixtrans-51.9-43.7179.2-66.1164.2144.200113T418 A419 S441 C442 A443 N446 Y452 P454 D459 A460 I462E415-T418 WeakPolarHBondContact CA-OG1 3.45Å; E415-T418 PolarHBondContact O-N 3.4Å; E415-T418 PolarHBondContact O-OG1 3.23Å; E415-A419 WeakPolarHBondContact O-CB 3.35Å; E415-A419 PolarHBondContact O-N 2.92Å; E415-S441 WeakPolarHBondContact CB-O 3.16Å; E415-S441 VanDerWaalsContact O-CB 3.31Å; E415-S441 WeakPolarHBondContact O-CB 3.21Å; E415-S441 PolarHBondContact O-OG 2.77Å; E415-S441 VanDerWaalsContact O-OG 3.13Å; E415-C442 VanDerWaalsContact OE1-CA 3.32Å; E415-C442 WeakPolarHBondContact OE1-CA 3.49Å; E415-A443 HydrophobicContact CG-CB 4.24Å; E415-A443 PolarHBondContact OE1-N 3.28Å; E415-N446 VanDerWaalsContact CD-ND2 3.32Å; E415-N446 WeakPolarHBondContact OE1-CB 3.33Å; E415-N446 PolarHBondContact OE1-ND2 2.8Å; E415-N446 PolarHBondContact OE2-ND2 2.94Å; E415-Y452 WeakPolarHBondContact OE2-CE1 3.15Å; E415-Y452 PolarHBondContact OE2-OH 3.47Å; E415-P454 HydrophobicContact CB-CB 3.67Å; E415-P454 HydrophobicContact CB-CG 4.24Å; E415-D459 HydrophobicContact CB-CB 4.21Å; E415-D459 PolarHBondContact N-OD2 3.4Å; E415-A460 HydrophobicContact CG-CB 4.38Å; E415-A460 PolarHBondContact N-O 2.82Å; E415-A460 WeakPolarHBondContact OE2-CB 3.49Å; E415-A460 PolarHBondContact OE2-N 3.23Å; E415-I462 HydrophobicContact CB-CD1 4.48Å; E415-I462 HydrophobicContact CG-CD1 3.75Å
416A95.6Very high96.8Very high7 Ų734.3 Ų34.36%0.05819%0.187CC..Hα-helixtrans-65.4-44.5177.500000111.5T414 T418 A419 Q420 P454 D459T414-A416 VanDerWaalsContact C-N 3.28Å; T414-A416 PolarHBondContact O-N 3.22Å; A416-T418 VanDerWaalsContact C-N 3.32Å; A416-T418 PolarHBondContact O-N 2.74Å; A416-A419 PolarHBondContact O-N 2.67Å; A416-Q420 WeakPolarHBondContact O-CB 3.45Å; A416-Q420 VanDerWaalsContact O-CG 3.26Å; A416-Q420 WeakPolarHBondContact O-CG 3.39Å; A416-Q420 PolarHBondContact O-N 3.33Å; A416-P454 HydrophobicContact CB-CB 4.01Å; A416-P454 HydrophobicContact CB-CG 4.31Å; A416-D459 HydrophobicContact CB-CB 4.38Å; A416-D459 WeakPolarHBondContact CB-OD2 3.46Å; A416-D459 PolarHBondContact N-OD2 3.2Å
417S96.9Very high97Very high14 Ų1433.9 Ų33.910%0.09819%0.187CC..Hα-helixtrans-66.1-34.5-179.4760000112.4V412 T414 Y421V412-S417 PolarHBondContact O-OG 2.83Å; T414-S417 PolarHBondContact N-OG 3.33Å; T414-S417 PolarHBondContact O-N 2.89Å; T414-S417 VanDerWaalsContact O-N 3.07Å; T414-S417 PolarHBondContact O-OG 3.5Å; T414-S417 PolarHBondContact OG1-N 2.67Å; T414-S417 PolarHBondContact OG1-OG 3.37Å; S417-Y421 VanDerWaalsContact O-CB 3.31Å; S417-Y421 WeakPolarHBondContact O-CB 3.22Å; S417-Y421 PolarHBondContact O-N 3.47Å
418T97.5Very high97Very high0 Ų035 Ų350%019%0.192CC..Hα-helixtrans-74-38177.344.20000111.8L413 T414 E415 A416 Y421 L422 S441 I462L413-T418 HydrophobicContact CB-CG2 4.22Å; L413-T418 HydrophobicContact CD1-CG2 4.38Å; L413-T418 HydrophobicContact CD2-CG2 4.3Å; T414-T418 PolarHBondContact O-N 3Å; T414-T418 PolarHBondContact O-OG1 2.69Å; E415-T418 WeakPolarHBondContact CA-OG1 3.45Å; E415-T418 PolarHBondContact O-N 3.4Å; E415-T418 PolarHBondContact O-OG1 3.23Å; A416-T418 VanDerWaalsContact C-N 3.32Å; A416-T418 PolarHBondContact O-N 2.74Å; T418-Y421 PolarHBondContact O-N 3.24Å; T418-L422 PolarHBondContact O-N 2.98Å; T418-S441 PolarHBondContact OG1-OG 2.86Å; T418-I462 HydrophobicContact CG2-CG1 3.94Å
419A97.2Very high97Very high7 Ų729 Ų296%0.05817%0.168CC..Hα-helixtrans-58.7-54170.600000111.1E415 A416 Y421 L422 D423 T439E415-A419 WeakPolarHBondContact O-CB 3.35Å; E415-A419 PolarHBondContact O-N 2.92Å; A416-A419 PolarHBondContact O-N 2.67Å; A419-Y421 VanDerWaalsContact C-N 3.26Å; A419-Y421 PolarHBondContact O-N 3.09Å; A419-L422 PolarHBondContact O-N 3.23Å; A419-L422 VanDerWaalsContact O-N 3.14Å; A419-D423 PolarHBondContact O-N 3.29Å; A419-T439 HydrophobicContact CB-CG2 3.77Å
420Q96.9Very high96.7Very high105 Ų10536.5 Ų36.549%0.49120%0.2SC..Hα-helixtrans-58.5-37.6178.8-70.5171.69.800112.5A416 A424A416-Q420 WeakPolarHBondContact O-CB 3.45Å; A416-Q420 VanDerWaalsContact O-CG 3.26Å; A416-Q420 WeakPolarHBondContact O-CG 3.39Å; A416-Q420 PolarHBondContact O-N 3.33Å; Q420-A424 WeakPolarHBondContact O-CB 3.3Å; Q420-A424 PolarHBondContact O-N 2.75Å
421Y97.9Very high96.6Very high8 Ų838.8 Ų38.83%0.03121%0.211CC..Hα-helixtrans-67-45.1177.3-171-124.9000111.8F368 W371 G401 A402 I407 P409 P410 S417 T418 A419 D423 A424 L425F368-Y421 HydrophobicContact CD2-CD1 4.08Å; F368-Y421 HydrophobicContact CE2-CD1 4.13Å; W371-Y421 AromaticContact CD2-CE1 3.96Å; W371-Y421 HydrophobicContact CD2-CE1 3.96Å; W371-Y421 HydrophobicContact CE3-CD1 4.04Å; W371-Y421 AromaticContact CE3-CE1 3.73Å; W371-Y421 HydrophobicContact CE3-CE1 3.73Å; W371-Y421 AromaticContact CH2-CD1 3.78Å; W371-Y421 HydrophobicContact CH2-CD1 3.78Å; W371-Y421 AromaticContact CH2-CE1 3.79Å; W371-Y421 HydrophobicContact CH2-CE1 3.79Å; W371-Y421 HydrophobicContact CZ2-CD1 4.47Å; W371-Y421 HydrophobicContact CZ2-CE1 4.05Å; W371-Y421 AromaticContact CZ3-CD1 3.55Å; W371-Y421 HydrophobicContact CZ3-CD1 3.55Å; W371-Y421 AromaticContact CZ3-CE1 3.64Å; W371-Y421 HydrophobicContact CZ3-CE1 3.64Å; G401-Y421 WeakPolarHBondContact CA-OH 3.14Å; A402-Y421 HydrophobicContact CB-CE1 4.24Å; A402-Y421 PolarHBondContact N-OH 3.17Å; I407-Y421 HydrophobicContact CB-CE2 3.83Å; I407-Y421 HydrophobicContact CG2-CD2 4.29Å; I407-Y421 HydrophobicContact CG2-CE2 3.76Å; I407-Y421 PolarHBondContact O-OH 3.41Å; P409-Y421 HydrophobicContact CB-CE1 4.33Å; P409-Y421 HydrophobicContact CB-CE2 4.26Å; P410-Y421 HydrophobicContact CG-CG 4.47Å; S417-Y421 VanDerWaalsContact O-CB 3.31Å; S417-Y421 WeakPolarHBondContact O-CB 3.22Å; S417-Y421 PolarHBondContact O-N 3.47Å; T418-Y421 PolarHBondContact O-N 3.24Å; A419-Y421 VanDerWaalsContact C-N 3.26Å; A419-Y421 PolarHBondContact O-N 3.09Å; Y421-D423 VanDerWaalsContact C-N 3.34Å; Y421-D423 PolarHBondContact O-N 3.43Å; Y421-A424 WeakPolarHBondContact O-CB 3.46Å; Y421-A424 PolarHBondContact O-N 2.99Å; Y421-L425 HydrophobicContact CD1-CD1 4.11Å; Y421-L425 HydrophobicContact CE1-CD1 3.96Å; Y421-L425 VanDerWaalsContact O-CG 3.31Å; Y421-L425 WeakPolarHBondContact O-CG 3.47Å; Y421-L425 PolarHBondContact O-N 2.88Å
422L98.5Very high96.8Very high0 Ų035.8 Ų35.80%019%0.192CC..Hα-helixtrans-62.7-40.6175.3178.757.6000112V364 L365 F368 T418 A419 A424 L425 R426 T439 V470V364-L422 HydrophobicContact CG1-CD1 4.27Å; L365-L422 HydrophobicContact CD1-CD1 4.3Å; L365-L422 HydrophobicContact CD1-CD2 4.04Å; F368-L422 HydrophobicContact CB-CD1 3.91Å; F368-L422 HydrophobicContact CD1-CD1 4.23Å; F368-L422 HydrophobicContact CD1-CD2 4.36Å; F368-L422 HydrophobicContact CD2-CB 4.15Å; F368-L422 HydrophobicContact CD2-CD1 4.32Å; F368-L422 HydrophobicContact CE1-CD2 4.42Å; F368-L422 HydrophobicContact CE2-CB 4.13Å; F368-L422 HydrophobicContact CG-CB 4.44Å; F368-L422 HydrophobicContact CG-CD1 3.89Å; F368-L422 HydrophobicContact CZ-CB 4.43Å; T418-L422 PolarHBondContact O-N 2.98Å; A419-L422 PolarHBondContact O-N 3.23Å; A419-L422 VanDerWaalsContact O-N 3.14Å; L422-A424 VanDerWaalsContact C-N 3.31Å; L422-A424 PolarHBondContact O-N 2.79Å; L422-L425 WeakPolarHBondContact O-CB 3.44Å; L422-L425 PolarHBondContact O-N 3.21Å; L422-L425 VanDerWaalsContact O-N 3.17Å; L422-R426 PolarHBondContact O-N 3.42Å; L422-T439 HydrophobicContact CD2-CG2 4.44Å; L422-V470 HydrophobicContact CD2-CG2 3.65Å
423D98.1Very high96.9Very high37 Ų3735.3 Ų35.320%0.19819%0.186CC..Hα-helixtrans-60.1-43175.6-64.4-15.9000111.1A419 Y421 L425 R426 S427 L435 T439A419-D423 PolarHBondContact O-N 3.29Å; Y421-D423 VanDerWaalsContact C-N 3.34Å; Y421-D423 PolarHBondContact O-N 3.43Å; D423-L425 PolarHBondContact O-N 3.27Å; D423-R426 PolarHBondContact O-N 3.49Å; D423-S427 PolarHBondContact O-N 3Å; D423-L435 HydrophobicContact CB-CD1 4.25Å; D423-L435 HydrophobicContact CB-CD2 4.21Å; D423-T439 WeakPolarHBondContact OD1-CB 3.46Å; D423-T439 PolarHBondContact OD1-OG1 3.41Å
424A98.4Very high96.9Very high32 Ų3235.9 Ų35.926%0.26419%0.19SC..Hα-helixtrans-63.3-40.5175.200000111.9I407 Q420 Y421 L422 S427I407-A424 VanDerWaalsContact CD1-C 3.47Å; I407-A424 HydrophobicContact CD1-CB 3.83Å; I407-A424 WeakPolarHBondContact CD1-O 3.06Å; Q420-A424 WeakPolarHBondContact O-CB 3.3Å; Q420-A424 PolarHBondContact O-N 2.75Å; Y421-A424 WeakPolarHBondContact O-CB 3.46Å; Y421-A424 PolarHBondContact O-N 2.99Å; L422-A424 VanDerWaalsContact C-N 3.31Å; L422-A424 PolarHBondContact O-N 2.79Å; A424-S427 PolarHBondContact O-N 2.76Å; A424-S427 PolarHBondContact O-OG 2.73Å
425L98.5Very high97Very high4 Ų435.4 Ų35.42%0.02119%0.186CC..Hα-helixtrans-63.6-44.4175.9-66.2170.6000111.7V364 F368 A402 I407 Y421 L422 D423 S427 Q428V364-L425 HydrophobicContact CG1-CB 3.85Å; F368-L425 HydrophobicContact CB-CD1 3.9Å; F368-L425 HydrophobicContact CD2-CD1 3.93Å; F368-L425 HydrophobicContact CG-CD1 4.38Å; A402-L425 VanDerWaalsContact C-CD2 3.45Å; A402-L425 HydrophobicContact CB-CD1 3.82Å; A402-L425 HydrophobicContact CB-CD2 3.94Å; A402-L425 WeakPolarHBondContact O-CD2 3.19Å; I407-L425 HydrophobicContact CB-CD2 4.31Å; I407-L425 HydrophobicContact CD1-CD2 3.94Å; I407-L425 HydrophobicContact CD1-CG 4.43Å; I407-L425 HydrophobicContact CG1-CD2 4.11Å; Y421-L425 HydrophobicContact CD1-CD1 4.11Å; Y421-L425 HydrophobicContact CE1-CD1 3.96Å; Y421-L425 VanDerWaalsContact O-CG 3.31Å; Y421-L425 WeakPolarHBondContact O-CG 3.47Å; Y421-L425 PolarHBondContact O-N 2.88Å; L422-L425 WeakPolarHBondContact O-CB 3.44Å; L422-L425 PolarHBondContact O-N 3.21Å; L422-L425 VanDerWaalsContact O-N 3.17Å; D423-L425 PolarHBondContact O-N 3.27Å; L425-S427 VanDerWaalsContact C-N 3.29Å; L425-S427 PolarHBondContact O-N 2.6Å; L425-Q428 WeakPolarHBondContact O-CB 3.22Å; L425-Q428 WeakPolarHBondContact O-CG 3.26Å; L425-Q428 PolarHBondContact O-N 3.12Å
426R97.9Very high97.1Very high0 Ų035.4 Ų35.40%019%0.186CC..Hα-helixtrans-61-38175.1-82.4-167.7166124.2-2.3112.8D361 V364 L422 D423 Q428 A429 F432 S472D361-R426 WeakPolarHBondContact OD1-CD 3.11Å; D361-R426 IonicContact OD1-CZ 2.84Å; D361-R426 IonicContact OD1-NE 3.61Å; D361-R426 PolarHBondContact OD1-NE 2.84Å; D361-R426 IonicContact OD1-NH2 3.23Å; D361-R426 IonicContact OD2-CZ 3.83Å; D361-R426 IonicContact OD2-NE 2.86Å; D361-R426 IonicContact OD2-NH2 2.84Å; D361-R426 PolarHBondContact OD2-NH2 3.39Å; V364-R426 HydrophobicContact CG1-CG 3.88Å; L422-R426 PolarHBondContact O-N 3.42Å; D423-R426 PolarHBondContact O-N 3.49Å; R426-Q428 PolarHBondContact O-N 3.28Å; R426-A429 WeakPolarHBondContact O-CB 3.39Å; R426-A429 PolarHBondContact O-N 3.36Å; R426-F432 HydrophobicContact CB-CD2 4.46Å; R426-F432 HydrophobicContact CB-CE2 4.11Å; R426-S472 PolarHBondContact NH1-OG 2.88Å; R426-S472 VanDerWaalsContact NH2-C 3.3Å; R426-S472 PolarHBondContact NH2-O 3.03Å; R426-S472 PolarHBondContact NH2-OG 3.26Å; R426-S472 VanDerWaalsContact NH2-OG 3.12Å
427S97.8Very high97.1Very high65 Ų6535.6 Ų35.646%0.45519%0.186SC..THydrogen-bonded Turntrans-62.6-14.517979.40000114.2D423 A424 L425D423-S427 PolarHBondContact O-N 3Å; A424-S427 PolarHBondContact O-N 2.76Å; A424-S427 PolarHBondContact O-OG 2.73Å; L425-S427 VanDerWaalsContact C-N 3.29Å; L425-S427 PolarHBondContact O-N 2.6Å
428Q96.8Very high97Very high65 Ų6537 Ų3730%0.30420%0.195SC..THydrogen-bonded Turntrans-78.2-19.9174.2-53.7-169.2-55.200113.5L404 P405 I407 L425 R426L404-Q428 VanDerWaalsContact N-OE1 3.15Å; P405-Q428 PolarHBondContact O-NE2 2.85Å; P405-Q428 PolarHBondContact O-OE1 3.15Å; I407-Q428 HydrophobicContact CD1-CG 3.88Å; I407-Q428 HydrophobicContact CG1-CG 4.48Å; L425-Q428 WeakPolarHBondContact O-CB 3.22Å; L425-Q428 WeakPolarHBondContact O-CG 3.26Å; L425-Q428 PolarHBondContact O-N 3.12Å; R426-Q428 PolarHBondContact O-N 3.28Å
429A94.9Very high96.9Very high14 Ų1437 Ų3712%0.11620%0.196CC..SBendtrans-67.3142.1-176.600000110.9T360 R426 D431 F432 Y476T360-A429 HydrophobicContact CG2-CB 3.98Å; R426-A429 WeakPolarHBondContact O-CB 3.39Å; R426-A429 PolarHBondContact O-N 3.36Å; A429-D431 PolarHBondContact O-N 2.94Å; A429-F432 VanDerWaalsContact O-CB 3.3Å; A429-F432 WeakPolarHBondContact O-CB 3.35Å; A429-F432 PolarHBondContact O-N 2.9Å; A429-Y476 HydrophobicContact CB-CE1 3.74Å
430K92.4Very high96.8Very high163 Ų16337.1 Ų37.171%0.70920%0.195SC*.THydrogen-bonded Turntrans-58.5138.6178-170.9-166.7168.3-168.10109.8F432K430-F432 PolarHBondContact O-N 2.93Å
431D93.5Very high96.8Very high80 Ų8032.1 Ų32.143%0.42817%0.172SC..THydrogen-bonded Turntrans63.418.3177.5-52-43000114.4A429 F433 Y476 M477A429-D431 PolarHBondContact O-N 2.94Å; D431-F433 PolarHBondContact O-N 2.88Å; D431-Y476 VanDerWaalsContact O-CA 3.28Å; D431-Y476 WeakPolarHBondContact O-CA 3.4Å; D431-M477 HydrophobicContact CB-CB 3.96Å; D431-M477 HydrophobicContact CB-CG 3.94Å; D431-M477 PolarHBondContact O-N 3.42Å; D431-M477 VanDerWaalsContact O-N 3.08Å
432F97.9Very high96.7Very high59 Ų5931.8 Ų31.826%0.25917%0.171SC..EExtended strand (participates in β ladder)trans-59.3131.2168.5178.2-93.9000110.8R426 A429 K430 S434 L435 Y476R426-F432 HydrophobicContact CB-CD2 4.46Å; R426-F432 HydrophobicContact CB-CE2 4.11Å; A429-F432 VanDerWaalsContact O-CB 3.3Å; A429-F432 WeakPolarHBondContact O-CB 3.35Å; A429-F432 PolarHBondContact O-N 2.9Å; K430-F432 PolarHBondContact O-N 2.93Å; F432-S434 WeakPolarHBondContact CE2-O 3.49Å; F432-S434 WeakPolarHBondContact CZ-O 3.44Å; F432-L435 HydrophobicContact CE2-CD2 4.28Å; F432-L435 HydrophobicContact CZ-CD2 4.21Å; F432-Y476 HydrophobicContact CB-CD1 4.07Å; F432-Y476 HydrophobicContact CB-CE1 3.98Å; F432-Y476 HydrophobicContact CD2-CD1 4.31Å; F432-Y476 AromaticContact CD2-CE1 3.75Å; F432-Y476 HydrophobicContact CD2-CE1 3.75Å; F432-Y476 HydrophobicContact CG-CE1 4.37Å
433F97.7Very high96.6Very high47 Ų4731.9 Ų31.921%0.20617%0.171CC..EExtended strand (participates in β ladder)trans-111-51.1-179.1-177.2-102000111.8L190 G236 N237 P243 D431 Q475 F550L190-F433 HydrophobicContact CD1-CD2 4.05Å; L190-F433 HydrophobicContact CD1-CE2 3.45Å; L190-F433 VanDerWaalsContact CD1-CE2 3.45Å; L190-F433 HydrophobicContact CD1-CZ 4.23Å; G236-F433 VanDerWaalsContact O-CZ 3.32Å; G236-F433 WeakPolarHBondContact O-CZ 3.17Å; N237-F433 HydrophobicContact CB-CE1 4.18Å; N237-F433 HydrophobicContact CB-CZ 3.64Å; P243-F433 HydrophobicContact CB-CD1 4.18Å; P243-F433 HydrophobicContact CB-CE1 3.8Å; P243-F433 HydrophobicContact CB-CZ 4.49Å; D431-F433 PolarHBondContact O-N 2.88Å; F433-Q475 HydrophobicContact CB-CB 4.21Å; F433-Q475 WeakPolarHBondContact CB-O 3.44Å; F433-Q475 HydrophobicContact CD1-CB 4.27Å; F433-Q475 PolarHBondContact N-O 2.88Å; F433-F550 HydrophobicContact CB-CE2 3.74Å; F433-F550 HydrophobicContact CB-CZ 4.12Å; F433-F550 AromaticContact CD1-CE2 3.64Å; F433-F550 HydrophobicContact CD1-CE2 3.64Å; F433-F550 HydrophobicContact CD1-CZ 4.03Å; F433-F550 HydrophobicContact CD2-CE2 4.24Å; F433-F550 AromaticContact CD2-CZ 3.88Å; F433-F550 HydrophobicContact CD2-CZ 3.88Å; F433-F550 HydrophobicContact CE1-CE2 4.23Å; F433-F550 HydrophobicContact CE1-CZ 4.35Å; F433-F550 HydrophobicContact CE2-CZ 4.24Å; F433-F550 AromaticContact CG-CE2 3.61Å; F433-F550 HydrophobicContact CG-CE2 3.61Å; F433-F550 AromaticContact CG-CZ 3.74Å; F433-F550 HydrophobicContact CG-CZ 3.74Å; F433-F550 HydrophobicContact CZ-CZ 4.41Å
434S97.8Very high96.5Very high12 Ų1232.5 Ų32.58%0.08418%0.175CC..EExtended strand (participates in β ladder)trans-162179176.6680000109.5F432 Q475F432-S434 WeakPolarHBondContact CE2-O 3.49Å; F432-S434 WeakPolarHBondContact CZ-O 3.44Å; S434-Q475 PolarHBondContact N-O 3.02Å; S434-Q475 PolarHBondContact O-N 3.3Å; S434-Q475 WeakPolarHBondContact OG-CG 3.38Å
435L98.3Very high96.3Very high24 Ų2432.8 Ų32.813%0.12618%0.177CC..EExtended strand (participates in β ladder)trans-68.5157.9160.2-56.8174.5000109.9Y241 D423 F432 F437 Q475Y241-L435 WeakPolarHBondContact CA-O 3.38Å; Y241-L435 HydrophobicContact CD1-CB 4.02Å; Y241-L435 HydrophobicContact CE1-CB 4.05Å; D423-L435 HydrophobicContact CB-CD1 4.25Å; D423-L435 HydrophobicContact CB-CD2 4.21Å; F432-L435 HydrophobicContact CE2-CD2 4.28Å; F432-L435 HydrophobicContact CZ-CD2 4.21Å; L435-F437 VanDerWaalsContact CB-O 3.3Å; L435-F437 WeakPolarHBondContact CB-O 3.31Å; L435-Q475 WeakPolarHBondContact O-CG 3.47Å
436S98.1Very high96Very high1 Ų134.3 Ų34.31%0.00719%0.185CC..SBendtrans-88.3-17172.658.60000113.2Y241 G473 G474 T481 V553Y241-S436 WeakPolarHBondContact CB-O 3.28Å; S436-G473 PolarHBondContact N-O 3.03Å; S436-G473 VanDerWaalsContact N-O 3.15Å; S436-G473 WeakPolarHBondContact OG-CA 3.25Å; S436-G473 PolarHBondContact OG-O 3.46Å; S436-G474 PolarHBondContact OG-N 3.23Å; S436-T481 PolarHBondContact OG-O 3.24Å; S436-V553 WeakPolarHBondContact O-CG1 3.41Å
437F96.2Very high95.8Very high11 Ų1134.5 Ų34.55%0.04819%0.187CC..SBendtrans-165.3171.9169.452.7-85.7000108.8Y37 L435 T439 D471 S472 D482 V553Y37-F437 WeakPolarHBondContact OH-CB 3.42Å; L435-F437 VanDerWaalsContact CB-O 3.3Å; L435-F437 WeakPolarHBondContact CB-O 3.31Å; F437-T439 PolarHBondContact O-N 2.75Å; F437-D471 VanDerWaalsContact CZ-OD1 3.31Å; F437-D471 WeakPolarHBondContact CZ-OD1 3.31Å; F437-S472 VanDerWaalsContact CZ-CA 3.48Å; F437-D482 HydrophobicContact CE1-CB 4.39Å; F437-D482 VanDerWaalsContact CE1-OD1 3.26Å; F437-D482 WeakPolarHBondContact CE1-OD1 3.48Å; F437-D482 WeakPolarHBondContact CZ-OD1 3.5Å; F437-V553 HydrophobicContact CD1-CB 4.48Å; F437-V553 HydrophobicContact CD1-CG1 4.2Å; F437-V553 HydrophobicContact CD1-CG2 3.99Å; F437-V553 HydrophobicContact CE1-CG2 4.09Å
438S94.1Very high95.5Very high42 Ų4232 Ų3229%0.29417%0.17SC..  trans-69.1124.3174.6-174.60000110.4I440S438-I440 PolarHBondContact O-N 3.23Å
439T96.4Very high95Very high2 Ų231 Ų311%0.01217%0.167CC..  trans-53.4122.9177.2-68.60000111.3A419 L422 D423 F437 V470A419-T439 HydrophobicContact CB-CG2 3.77Å; L422-T439 HydrophobicContact CD2-CG2 4.44Å; D423-T439 WeakPolarHBondContact OD1-CB 3.46Å; D423-T439 PolarHBondContact OD1-OG1 3.41Å; F437-T439 PolarHBondContact O-N 2.75Å; T439-V470 HydrophobicContact CG2-CG2 4.2Å
440I95.2Very high94.4Very high8 Ų831.4 Ų31.44%0.04117%0.166CC..EExtended strand (participates in β ladder)trans-89.7114.5171.8-66.1164.4000106.1S438 C442 Y452 L469 V470 D471S438-I440 PolarHBondContact O-N 3.23Å; I440-C442 VanDerWaalsContact CG2-SG 3.51Å; I440-Y452 WeakPolarHBondContact CG2-O 3.26Å; I440-L469 HydrophobicContact CG2-CD2 4.17Å; I440-V470 CarbonylContact O-C 3.56Å; I440-V470 VanDerWaalsContact O-CA 3.28Å; I440-V470 WeakPolarHBondContact O-CA 3.3Å; I440-D471 HydrophobicContact CB-CB 4.02Å; I440-D471 HydrophobicContact CD1-CB 4.28Å; I440-D471 HydrophobicContact CG2-CB 4.42Å; I440-D471 PolarHBondContact N-O 2.96Å; I440-D471 PolarHBondContact O-N 3.47Å
441S96.9Very high93.5Very high0 Ų026 Ų260%014%0.143CC..EExtended strand (participates in β ladder)trans-126.4119.7177.7-176.40000107.1E415 T418 Y468E415-S441 WeakPolarHBondContact CB-O 3.16Å; E415-S441 VanDerWaalsContact O-CB 3.31Å; E415-S441 WeakPolarHBondContact O-CB 3.21Å; E415-S441 PolarHBondContact O-OG 2.77Å; E415-S441 VanDerWaalsContact O-OG 3.13Å; T418-S441 PolarHBondContact OG1-OG 2.86Å; S441-Y468 WeakPolarHBondContact OG-CE2 3.32Å; S441-Y468 PolarHBondContact OG-OH 3.11Å
442C95.5Very high92.9Very high2 Ų223.5 Ų23.51%0.01413%0.128CC..EExtended strand (participates in β ladder)trans-134.9141-173.5-43.30000111.3E415 I440 N446 G447 Y452 Y468 L469E415-C442 VanDerWaalsContact OE1-CA 3.32Å; E415-C442 WeakPolarHBondContact OE1-CA 3.49Å; I440-C442 VanDerWaalsContact CG2-SG 3.51Å; C442-N446 HydrophobicContact CB-CB 4.35Å; C442-G447 VanDerWaalsContact CB-CA 3.46Å; C442-Y452 HydrophobicContact CB-CD1 4.27Å; C442-Y452 VanDerWaalsContact SG-CD1 3.52Å; C442-Y468 WeakPolarHBondContact O-CA 3.44Å; C442-Y468 WeakPolarHBondContact O-CD2 3.33Å; C442-L469 HydrophobicContact CB-CB 4.34Å; C442-L469 PolarHBondContact N-O 2.81Å; C442-L469 PolarHBondContact O-N 2.82Å
443A96.3Very high92Very high2 Ų224.1 Ų24.12%0.01713%0.132CC..EExtended strand (participates in β ladder)trans-114.4135.1167.500000110.5E415 A445 N446 I462 I467E415-A443 HydrophobicContact CG-CB 4.24Å; E415-A443 PolarHBondContact OE1-N 3.28Å; A443-A445 PolarHBondContact O-N 3.09Å; A443-N446 PolarHBondContact O-N 2.8Å; A443-N446 VanDerWaalsContact O-N 3.15Å; A443-I462 HydrophobicContact CB-CD1 3.64Å; A443-I467 WeakPolarHBondContact CA-O 3.38Å
444D95.9Very high91Very high50 Ų5023.1 Ų23.127%0.26713%0.13SC..G310 helixtrans51.7-124.7166.9-53.3-51.7000110.8N446 G447 S466 I467 H595 F596D444-N446 PolarHBondContact O-N 3.12Å; D444-N446 VanDerWaalsContact O-N 3.1Å; D444-G447 WeakPolarHBondContact O-CA 3.41Å; D444-G447 PolarHBondContact O-N 2.81Å; D444-S466 VanDerWaalsContact OD1-CA 3.29Å; D444-S466 WeakPolarHBondContact OD1-CA 3.15Å; D444-S466 WeakPolarHBondContact OD2-CB 3.31Å; D444-S466 PolarHBondContact OD2-OG 3.47Å; D444-I467 PolarHBondContact N-O 3.23Å; D444-I467 PolarHBondContact OD1-N 3.32Å; D444-H595 CarbonylContact C-O 3.16Å; D444-F596 VanDerWaalsContact O-CA 3.31Å; D444-F596 WeakPolarHBondContact O-CA 3.33Å
445A93.8Very high90Very high37 Ų3724.7 Ų24.731%0.30614%0.139SC..G310 helixtrans-55.4-32.3-17500000114.3A443 G447 A448 H595A443-A445 PolarHBondContact O-N 3.09Å; A445-G447 PolarHBondContact O-N 3.04Å; A445-A448 VanDerWaalsContact O-CB 3.31Å; A445-A448 WeakPolarHBondContact O-CB 3.08Å; A445-A448 PolarHBondContact O-N 3.04Å; A445-A448 VanDerWaalsContact O-N 3.1Å; A445-H595 WeakPolarHBondContact CA-O 2.95Å; A445-H595 PolarHBondContact N-O 2.87Å
446N93Very high89Confident37 Ų3730.8 Ų30.820%0.19817%0.167CC..G310 helixtrans-67.4-25.4177.5-72.5-12.9000112E415 C442 A443 D444 A448 I449 Y452 A460E415-N446 VanDerWaalsContact CD-ND2 3.32Å; E415-N446 WeakPolarHBondContact OE1-CB 3.33Å; E415-N446 PolarHBondContact OE1-ND2 2.8Å; E415-N446 PolarHBondContact OE2-ND2 2.94Å; C442-N446 HydrophobicContact CB-CB 4.35Å; A443-N446 PolarHBondContact O-N 2.8Å; A443-N446 VanDerWaalsContact O-N 3.15Å; D444-N446 PolarHBondContact O-N 3.12Å; D444-N446 VanDerWaalsContact O-N 3.1Å; N446-A448 PolarHBondContact O-N 2.82Å; N446-I449 PolarHBondContact O-N 3.25Å; N446-I449 VanDerWaalsContact O-N 3.11Å; N446-Y452 HydrophobicContact CB-CD1 4.24Å; N446-Y452 HydrophobicContact CB-CD2 4.17Å; N446-Y452 HydrophobicContact CB-CE1 4.11Å; N446-Y452 HydrophobicContact CB-CE2 4.04Å; N446-Y452 HydrophobicContact CB-CG 4.27Å; N446-Y452 PolarHBondContact ND2-OH 3.27Å; N446-A460 WeakPolarHBondContact ND2-CB 3.24Å
447G93.3Very high88.2Confident3 Ų334.2 Ų34.23%0.03120%0.202CC..G310 helixtrans-63.2-24.4173.200000113C442 D444 A445 I449 Y591 G597C442-G447 VanDerWaalsContact CB-CA 3.46Å; D444-G447 WeakPolarHBondContact O-CA 3.41Å; D444-G447 PolarHBondContact O-N 2.81Å; A445-G447 PolarHBondContact O-N 3.04Å; G447-I449 PolarHBondContact O-N 2.98Å; G447-Y591 WeakPolarHBondContact O-CD1 3.34Å; G447-G597 VanDerWaalsContact C-N 3.32Å; G447-G597 VanDerWaalsContact O-CA 3.28Å; G447-G597 WeakPolarHBondContact O-CA 3.35Å
448A92Very high87.5Confident13 Ų1339.4 Ų39.411%0.10723%0.227CC..G310 helixtrans-74.1-13.2176.500000113.2A445 N446 I450 W592A445-A448 VanDerWaalsContact O-CB 3.31Å; A445-A448 WeakPolarHBondContact O-CB 3.08Å; A445-A448 PolarHBondContact O-N 3.04Å; A445-A448 VanDerWaalsContact O-N 3.1Å; N446-A448 PolarHBondContact O-N 2.82Å; A448-I450 PolarHBondContact O-N 3.16Å; A448-W592 WeakPolarHBondContact CB-O 3.44Å
449I86.2Confident87.4Confident45 Ų4538.4 Ų38.423%0.23122%0.218CC..SBendtrans-90.3105.4177.5-56.6166.2000107.9L75 N446 G447 H451 Y452L75-I449 HydrophobicContact CD1-CD1 3.86Å; N446-I449 PolarHBondContact O-N 3.25Å; N446-I449 VanDerWaalsContact O-N 3.11Å; G447-I449 PolarHBondContact O-N 2.98Å; I449-H451 PolarHBondContact O-N 2.93Å; I449-Y452 HydrophobicContact CB-CD2 4.46Å; I449-Y452 HydrophobicContact CD1-CD2 4.11Å; I449-Y452 WeakPolarHBondContact O-CB 3.48Å; I449-Y452 PolarHBondContact O-N 3.22Å; I449-Y452 VanDerWaalsContact O-N 3.1Å
450I81.5Confident87.2Confident21 Ų2139.6 Ų39.611%0.10823%0.228CC..THydrogen-bonded Turntrans-58.4128.6176.7-59.5163.5000108.8R72 A448 Y452 A540 Y591R72-I450 VanDerWaalsContact CB-O 3.28Å; R72-I450 WeakPolarHBondContact CB-O 3.49Å; R72-I450 WeakPolarHBondContact CD-O 3.46Å; R72-I450 HydrophobicContact CG-CB 3.9Å; R72-I450 HydrophobicContact CG-CG2 4.15Å; R72-I450 WeakPolarHBondContact CG-O 3.3Å; A448-I450 PolarHBondContact O-N 3.16Å; I450-Y452 VanDerWaalsContact C-N 3.32Å; I450-Y452 PolarHBondContact O-N 3.16Å; I450-A540 HydrophobicContact CD1-CB 3.87Å; I450-Y591 HydrophobicContact CB-CE1 4.5Å; I450-Y591 HydrophobicContact CD1-CD2 3.82Å; I450-Y591 HydrophobicContact CD1-CE2 3.87Å; I450-Y591 HydrophobicContact CD1-CG 4.23Å; I450-Y591 HydrophobicContact CG1-CD1 3.7Å; I450-Y591 HydrophobicContact CG1-CD2 3.71Å; I450-Y591 HydrophobicContact CG1-CE1 3.61Å; I450-Y591 HydrophobicContact CG1-CE2 3.62Å; I450-Y591 HydrophobicContact CG1-CG 3.75Å
451H74.3Confident87.2Confident49 Ų4941.7 Ų41.723%0.22724%0.242CC..THydrogen-bonded Turntrans62.730.5-176.7-55.9-169.9000114.7R72 I449 H453R72-H451 PolarHBondContact NH1-CE1 2.74Å; R72-H451 PolarHBondContact NH1-ND1 3.25Å; I449-H451 PolarHBondContact O-N 2.93Å; H451-H453 PolarHBondContact O-CD2 2.97Å; H451-H453 PolarHBondContact O-N 2.87Å
452Y81.4Confident87.2Confident29 Ų2941.7 Ų41.711%0.11424%0.242CC..  trans-53.1136.2169.2176.2-99.1000111.9E415 I440 C442 N446 I449 I450 P454E415-Y452 WeakPolarHBondContact OE2-CE1 3.15Å; E415-Y452 PolarHBondContact OE2-OH 3.47Å; I440-Y452 WeakPolarHBondContact CG2-O 3.26Å; C442-Y452 HydrophobicContact CB-CD1 4.27Å; C442-Y452 VanDerWaalsContact SG-CD1 3.52Å; N446-Y452 HydrophobicContact CB-CD1 4.24Å; N446-Y452 HydrophobicContact CB-CD2 4.17Å; N446-Y452 HydrophobicContact CB-CE1 4.11Å; N446-Y452 HydrophobicContact CB-CE2 4.04Å; N446-Y452 HydrophobicContact CB-CG 4.27Å; N446-Y452 PolarHBondContact ND2-OH 3.27Å; I449-Y452 HydrophobicContact CB-CD2 4.46Å; I449-Y452 HydrophobicContact CD1-CD2 4.11Å; I449-Y452 WeakPolarHBondContact O-CB 3.48Å; I449-Y452 PolarHBondContact O-N 3.22Å; I449-Y452 VanDerWaalsContact O-N 3.1Å; I450-Y452 VanDerWaalsContact C-N 3.32Å; I450-Y452 PolarHBondContact O-N 3.16Å; Y452-P454 HydrophobicContact CE1-CB 3.85Å; Y452-P454 HydrophobicContact CE1-CG 4.47Å
453H77.6Confident87.3Confident71 Ų7141.7 Ų41.733%0.32924%0.242SC..  trans-120.8123.5169.4-70.4-63.9000109.7H451 V455H451-H453 PolarHBondContact O-CD2 2.97Å; H451-H453 PolarHBondContact O-N 2.87Å; H453-V455 PolarHBondContact O-N 2.8Å
454P77.8Confident87.2Confident27 Ų2742.5 Ų42.518%0.17525%0.246CC..  trans-67.2134.1178.627.8-33.8000110.5E415 A416 Y452 D459E415-P454 HydrophobicContact CB-CB 3.67Å; E415-P454 HydrophobicContact CB-CG 4.24Å; A416-P454 HydrophobicContact CB-CB 4.01Å; A416-P454 HydrophobicContact CB-CG 4.31Å; Y452-P454 HydrophobicContact CE1-CB 3.85Å; Y452-P454 HydrophobicContact CE1-CG 4.47Å; P454-D459 HydrophobicContact CB-CB 3.76Å
455V76.6Confident87.2Confident44 Ų4442.2 Ų42.227%0.26725%0.246SC..  trans-105.7115.8175.9-177.90000107.6M1 H453 G457 Q458 D459M1-V455 HydrophobicContact CE-CB 4.24Å; M1-V455 HydrophobicContact CE-CG1 3.81Å; M1-V455 HydrophobicContact CE-CG2 3.36Å; M1-V455 HydrophobicContact CG-CG1 4.16Å; H453-V455 PolarHBondContact O-N 2.8Å; V455-G457 PolarHBondContact O-N 3.17Å; V455-Q458 HydrophobicContact CB-CB 4.32Å; V455-Q458 CarbonylContact O-C 3.58Å; V455-Q458 WeakPolarHBondContact O-CA 3.33Å; V455-Q458 PolarHBondContact O-N 3.12Å; V455-D459 PolarHBondContact O-N 3.4Å
456E77.7Confident87.3Confident153 Ų15340.5 Ų40.572%0.71523%0.232SC*.THydrogen-bonded Turntrans-49.8125.8-177.7-170.4178171.600111.9Q458E456-Q458 VanDerWaalsContact C-N 3.3Å; E456-Q458 PolarHBondContact O-N 3.19Å
457G79.9Confident87.6Confident73 Ų7339 Ų3975%0.75322%0.224SC*.THydrogen-bonded Turntrans83.9-2.2-179.500000114.8V455 D459V455-G457 PolarHBondContact O-N 3.17Å; G457-D459 PolarHBondContact N-OD1 2.92Å
458Q83Confident87.8Confident119 Ų11938.8 Ų38.856%0.55622%0.222SC*.THydrogen-bonded Turntrans-126.1-1.3171.3-71.7167.491.200112M1 V455 E456M1-Q458 VanDerWaalsContact N-NE2 3.13Å; V455-Q458 HydrophobicContact CB-CB 4.32Å; V455-Q458 CarbonylContact O-C 3.58Å; V455-Q458 WeakPolarHBondContact O-CA 3.33Å; V455-Q458 PolarHBondContact O-N 3.12Å; E456-Q458 VanDerWaalsContact C-N 3.3Å; E456-Q458 PolarHBondContact O-N 3.19Å
459D90.2Very high88.1Confident22 Ų2238.4 Ų38.412%0.11822%0.218CC..SBendtrans-80.8152.1-179.960-53.4000112.3T414 E415 A416 P454 V455 G457T414-D459 WeakPolarHBondContact CB-OD2 3.48Å; T414-D459 PolarHBondContact OG1-OD2 3.37Å; E415-D459 HydrophobicContact CB-CB 4.21Å; E415-D459 PolarHBondContact N-OD2 3.4Å; A416-D459 HydrophobicContact CB-CB 4.38Å; A416-D459 WeakPolarHBondContact CB-OD2 3.46Å; A416-D459 PolarHBondContact N-OD2 3.2Å; P454-D459 HydrophobicContact CB-CB 3.76Å; V455-D459 PolarHBondContact O-N 3.4Å; G457-D459 PolarHBondContact N-OD1 2.92Å
460A92.8Very high88.7Confident26 Ų2636.3 Ų36.322%0.21521%0.207CC..PPolyproline II helixtrans-74.5148.6-175.800000111.7T414 E415 N446T414-A460 WeakPolarHBondContact CA-O 3.16Å; E415-A460 HydrophobicContact CG-CB 4.38Å; E415-A460 PolarHBondContact N-O 2.82Å; E415-A460 WeakPolarHBondContact OE2-CB 3.49Å; E415-A460 PolarHBondContact OE2-N 3.23Å; N446-A460 WeakPolarHBondContact ND2-CB 3.24Å
461P95.8Very high89.5Confident52 Ų5235.6 Ų35.634%0.33820%0.204SC..BIsolated β-bridgetrans-69.1142.2171.829.8-34.4000110.9P393P393-P461 HydrophobicContact CB-CB 3.72Å; P393-P461 HydrophobicContact CG-CB 4.38Å
462I96.9Very high90.6Very high0 Ų033.3 Ų33.30%019%0.193CC..PPolyproline II helixtrans-86.7119.8167.1-50.8-53.9000108.3L372 P393 I394 L413 E415 T418 A443 Y468 L489L372-I462 HydrophobicContact CD1-CG2 4.29Å; P393-I462 WeakPolarHBondContact CA-O 3.32Å; I394-I462 HydrophobicContact CD1-CG2 4.43Å; I394-I462 WeakPolarHBondContact CG1-O 3.44Å; I394-I462 PolarHBondContact N-O 3.22Å; L413-I462 HydrophobicContact CB-CB 3.94Å; L413-I462 HydrophobicContact CB-CG1 4.32Å; L413-I462 PolarHBondContact O-N 3.04Å; E415-I462 HydrophobicContact CB-CD1 4.48Å; E415-I462 HydrophobicContact CG-CD1 3.75Å; T418-I462 HydrophobicContact CG2-CG1 3.94Å; A443-I462 HydrophobicContact CB-CD1 3.64Å; I462-Y468 HydrophobicContact CD1-CD2 3.76Å; I462-Y468 HydrophobicContact CD1-CE2 3.88Å; I462-Y468 HydrophobicContact CG1-CE2 4.46Å; I462-L489 HydrophobicContact CG2-CD1 3.51Å
463T96.4Very high91.4Very high2 Ų231.9 Ų31.91%0.01219%0.188CC..  trans-105.6165.7-17974.80000111.5T465 S466 L489T463-T465 PolarHBondContact O-N 3.43Å; T463-T465 VanDerWaalsContact O-N 3.09Å; T463-T465 PolarHBondContact OG1-N 3.24Å; T463-T465 PolarHBondContact OG1-OG1 3.4Å; T463-S466 PolarHBondContact N-OG 3.15Å; T463-S466 VanDerWaalsContact N-OG 3.11Å; T463-S466 PolarHBondContact O-N 3.42Å; T463-S466 PolarHBondContact OG1-N 2.8Å; T463-S466 VanDerWaalsContact OG1-N 3.16Å; T463-S466 PolarHBondContact OG1-OG 3.03Å; T463-L489 VanDerWaalsContact O-CD1 3.25Å; T463-L489 WeakPolarHBondContact O-CD1 3.32Å
464N94.9Very high92.4Very high20 Ų2028.5 Ų28.511%0.10717%0.172CC..THydrogen-bonded Turntrans-67.3-1.717362.2-33.2000114A376 I379 N380 L489 G490A376-N464 HydrophobicContact CB-CB 4.25Å; I379-N464 HydrophobicContact CB-CB 4.2Å; I379-N464 HydrophobicContact CG2-CB 4.23Å; I379-N464 WeakPolarHBondContact CG2-ND2 3.28Å; N380-N464 PolarHBondContact ND2-O 3.16Å; N380-N464 PolarHBondContact OD1-ND2 3.04Å; N464-L489 CarbonylContact O-C 3.56Å; N464-G490 WeakPolarHBondContact O-CA 3.29Å; N464-G490 PolarHBondContact O-N 2.85Å
465T95.2Very high93.4Very high44 Ų4427.2 Ų27.227%0.2716%0.164SC..THydrogen-bonded Turntrans-121.40.6176.955.20000113.7T463 H488T463-T465 PolarHBondContact O-N 3.43Å; T463-T465 VanDerWaalsContact O-N 3.09Å; T463-T465 PolarHBondContact OG1-N 3.24Å; T463-T465 PolarHBondContact OG1-OG1 3.4Å; T465-H488 PolarHBondContact O-CE1 3.27Å
466S97.1Very high94.4Very high0 Ų025.1 Ų25.10%015%0.151CC..  trans-67.5145.5-173.8-69.20000112.6D444 T463 L489D444-S466 VanDerWaalsContact OD1-CA 3.29Å; D444-S466 WeakPolarHBondContact OD1-CA 3.15Å; D444-S466 WeakPolarHBondContact OD2-CB 3.31Å; D444-S466 PolarHBondContact OD2-OG 3.47Å; T463-S466 PolarHBondContact N-OG 3.15Å; T463-S466 VanDerWaalsContact N-OG 3.11Å; T463-S466 PolarHBondContact O-N 3.42Å; T463-S466 PolarHBondContact OG1-N 2.8Å; T463-S466 VanDerWaalsContact OG1-N 3.16Å; T463-S466 PolarHBondContact OG1-OG 3.03Å; S466-L489 PolarHBondContact O-N 2.96Å
467I98.2Very high95.3Very high5 Ų521.2 Ų21.23%0.02613%0.133CC..EExtended strand (participates in β ladder)trans-78.8111.5155.6-66172.3000106.5A443 D444 T486 Q496 F596 F659A443-I467 WeakPolarHBondContact CA-O 3.38Å; D444-I467 PolarHBondContact N-O 3.23Å; D444-I467 PolarHBondContact OD1-N 3.32Å; I467-T486 HydrophobicContact CG2-CG2 3.6Å; I467-Q496 HydrophobicContact CD1-CB 4.44Å; I467-Q496 HydrophobicContact CD1-CG 3.92Å; I467-F596 HydrophobicContact CB-CB 4.33Å; I467-F596 HydrophobicContact CD1-CB 3.69Å; I467-F596 HydrophobicContact CD1-CD1 3.72Å; I467-F596 HydrophobicContact CD1-CD2 4.1Å; I467-F596 HydrophobicContact CD1-CE1 4.38Å; I467-F596 HydrophobicContact CD1-CG 3.56Å; I467-F596 HydrophobicContact CG2-CB 4.25Å; I467-F659 HydrophobicContact CD1-CZ 4.22Å; I467-F659 HydrophobicContact CG1-CZ 4.23Å; I467-F659 HydrophobicContact CG2-CE1 4.44Å
468Y98.4Very high96Very high0 Ų019.6 Ų19.60%011%0.109CC..EExtended strand (participates in β ladder)trans-105.3117-177.5-179.6-104.9000110.3F368 L372 S441 C442 I462 V470 T486 I487F368-Y468 AromaticContact CE1-CE1 3.83Å; F368-Y468 HydrophobicContact CE1-CE1 3.83Å; F368-Y468 HydrophobicContact CZ-CE1 4.19Å; L372-Y468 HydrophobicContact CD2-CD1 3.59Å; L372-Y468 HydrophobicContact CD2-CD2 4.47Å; L372-Y468 HydrophobicContact CD2-CE1 3.7Å; L372-Y468 HydrophobicContact CD2-CG 4Å; S441-Y468 WeakPolarHBondContact OG-CE2 3.32Å; S441-Y468 PolarHBondContact OG-OH 3.11Å; C442-Y468 WeakPolarHBondContact O-CA 3.44Å; C442-Y468 WeakPolarHBondContact O-CD2 3.33Å; I462-Y468 HydrophobicContact CD1-CD2 3.76Å; I462-Y468 HydrophobicContact CD1-CE2 3.88Å; I462-Y468 HydrophobicContact CG1-CE2 4.46Å; Y468-V470 HydrophobicContact CD1-CB 4.48Å; Y468-V470 HydrophobicContact CD1-CG1 4.46Å; Y468-V470 HydrophobicContact CE1-CB 3.6Å; Y468-V470 HydrophobicContact CE1-CG1 3.78Å; Y468-T486 CarbonylContact O-C 3.53Å; Y468-T486 WeakPolarHBondContact O-CA 3.27Å; Y468-I487 HydrophobicContact CD1-CG1 4.19Å; Y468-I487 PolarHBondContact N-O 3.31Å; Y468-I487 PolarHBondContact O-N 3.44Å
469L98.5Very high96.6Very high5 Ų514 Ų143%0.0268%0.083CC..EExtended strand (participates in β ladder)trans-103.7129.1172.2-175.4157.2000108.4I440 C442 D471 T484 T486 R599I440-L469 HydrophobicContact CG2-CD2 4.17Å; C442-L469 HydrophobicContact CB-CB 4.34Å; C442-L469 PolarHBondContact N-O 2.81Å; C442-L469 PolarHBondContact O-N 2.82Å; L469-D471 HydrophobicContact CD2-CB 4.48Å; L469-T484 HydrophobicContact CD2-CG2 4Å; L469-T484 HydrophobicContact CG-CG2 4.12Å; L469-T486 HydrophobicContact CB-CG2 4.33Å; L469-R599 HydrophobicContact CD1-CB 4.19Å
470V98.5Very high97Very high0 Ų012.9 Ų12.90%08%0.077CC..EExtended strand (participates in β ladder)trans-128.1121.9169.860.90000109.6L365 L369 L422 T439 I440 Y468 T484 R485L365-V470 HydrophobicContact CD1-CG1 4.13Å; L369-V470 HydrophobicContact CD2-CG1 4.18Å; L422-V470 HydrophobicContact CD2-CG2 3.65Å; T439-V470 HydrophobicContact CG2-CG2 4.2Å; I440-V470 CarbonylContact O-C 3.56Å; I440-V470 VanDerWaalsContact O-CA 3.28Å; I440-V470 WeakPolarHBondContact O-CA 3.3Å; Y468-V470 HydrophobicContact CD1-CB 4.48Å; Y468-V470 HydrophobicContact CD1-CG1 4.46Å; Y468-V470 HydrophobicContact CE1-CB 3.6Å; Y468-V470 HydrophobicContact CE1-CG1 3.78Å; V470-T484 CarbonylContact O-C 3.16Å; V470-T484 VanDerWaalsContact O-CA 3.26Å; V470-T484 WeakPolarHBondContact O-CA 3.5Å; V470-T484 WeakPolarHBondContact O-CG2 3.33Å; V470-R485 PolarHBondContact N-O 2.8Å; V470-R485 PolarHBondContact O-N 2.93Å
471D98.2Very high97.3Very high7 Ų711.7 Ų11.74%0.0377%0.067CC..EExtended strand (participates in β ladder)trans-116.7126.1167.2176.928.4000109.2F437 I440 L469 T484 R599F437-D471 VanDerWaalsContact CZ-OD1 3.31Å; F437-D471 WeakPolarHBondContact CZ-OD1 3.31Å; I440-D471 HydrophobicContact CB-CB 4.02Å; I440-D471 HydrophobicContact CD1-CB 4.28Å; I440-D471 HydrophobicContact CG2-CB 4.42Å; I440-D471 PolarHBondContact N-O 2.96Å; I440-D471 PolarHBondContact O-N 3.47Å; L469-D471 HydrophobicContact CD2-CB 4.48Å; D471-T484 HydrophobicContact CB-CG2 3.81Å; D471-T484 WeakPolarHBondContact CB-OG1 3.29Å; D471-T484 PolarHBondContact OD1-OG1 3.03Å; D471-R599 IonicContact OD2-CZ 3.63Å; D471-R599 VanDerWaalsContact OD2-CZ 3.31Å; D471-R599 IonicContact OD2-NH1 3.61Å; D471-R599 IonicContact OD2-NH2 2.96Å; D471-R599 PolarHBondContact OD2-NH2 2.98Å
472S98.2Very high97.4Very high0 Ų09.3 Ų9.30%05%0.052CC..EExtended strand (participates in β ladder)trans-166.3147.8-16473.50000112R426 F437 V483R426-S472 PolarHBondContact NH1-OG 2.88Å; R426-S472 VanDerWaalsContact NH2-C 3.3Å; R426-S472 PolarHBondContact NH2-O 3.03Å; R426-S472 PolarHBondContact NH2-OG 3.26Å; R426-S472 VanDerWaalsContact NH2-OG 3.12Å; F437-S472 VanDerWaalsContact CZ-CA 3.48Å; S472-V483 PolarHBondContact N-O 3.14Å; S472-V483 VanDerWaalsContact N-O 3.15Å; S472-V483 WeakPolarHBondContact O-CG1 3.48Å; S472-V483 PolarHBondContact O-N 3.23Å
473G98.3Very high97.5Very high0 Ų09.4 Ų9.40%05%0.052CC..  trans-156171.2177.300000114.6S436 T481S436-G473 PolarHBondContact N-O 3.03Å; S436-G473 VanDerWaalsContact N-O 3.15Å; S436-G473 WeakPolarHBondContact OG-CA 3.25Å; S436-G473 PolarHBondContact OG-O 3.46Å; G473-T481 VanDerWaalsContact CA-O 3.3Å; G473-T481 WeakPolarHBondContact CA-O 3.39Å
474G98.3Very high97.6Very high0 Ų09.3 Ų9.30%05%0.052CC..EExtended strand (participates in β ladder)trans-130.7150.9-17900000113.3S436 T480 T481S436-G474 PolarHBondContact OG-N 3.23Å; G474-T480 WeakPolarHBondContact O-CA 3.47Å; G474-T481 PolarHBondContact N-OG1 3.08Å; G474-T481 PolarHBondContact O-N 2.62Å
475Q98.5Very high97.8Very high0 Ų08.5 Ų8.50%05%0.047CC..EExtended strand (participates in β ladder)trans-96.5128.8162.9-64.7-67.2-2.100109.1Y241 F433 S434 L435 T480 F550 L551Y241-Q475 WeakPolarHBondContact O-CG 3.34Å; Y241-Q475 PolarHBondContact O-NE2 3.07Å; F433-Q475 HydrophobicContact CB-CB 4.21Å; F433-Q475 WeakPolarHBondContact CB-O 3.44Å; F433-Q475 HydrophobicContact CD1-CB 4.27Å; F433-Q475 PolarHBondContact N-O 2.88Å; S434-Q475 PolarHBondContact N-O 3.02Å; S434-Q475 PolarHBondContact O-N 3.3Å; S434-Q475 WeakPolarHBondContact OG-CG 3.38Å; L435-Q475 WeakPolarHBondContact O-CG 3.47Å; Q475-T480 PolarHBondContact OE1-OG1 2.87Å; Q475-F550 HydrophobicContact CB-CD2 4.31Å; Q475-F550 HydrophobicContact CB-CE2 4.29Å; Q475-L551 PolarHBondContact NE2-O 3.23Å; Q475-L551 PolarHBondContact OE1-O 2.94Å
476Y97.9Very high98Very high0 Ų06.4 Ų6.40%03%0.034CC..EExtended strand (participates in β ladder)trans-133.3155.7177.5-55.6-87.4000109I357 D361 A429 D431 F432 T478 G479 T481 F550I357-Y476 HydrophobicContact CD1-CD1 3.47Å; I357-Y476 VanDerWaalsContact CD1-CD1 3.47Å; I357-Y476 HydrophobicContact CD1-CD2 3.88Å; I357-Y476 HydrophobicContact CD1-CE1 3.94Å; I357-Y476 HydrophobicContact CD1-CE2 4.29Å; I357-Y476 HydrophobicContact CD1-CG 3.43Å; I357-Y476 VanDerWaalsContact CD1-CG 3.43Å; I357-Y476 HydrophobicContact CG1-CD1 3.86Å; I357-Y476 HydrophobicContact CG1-CD2 3.25Å; I357-Y476 HydrophobicContact CG1-CE1 4.35Å; I357-Y476 HydrophobicContact CG1-CE2 3.8Å; I357-Y476 HydrophobicContact CG1-CG 3.27Å; D361-Y476 HydrophobicContact CB-CE2 4.31Å; D361-Y476 PolarHBondContact OD1-OH 3.44Å; A429-Y476 HydrophobicContact CB-CE1 3.74Å; D431-Y476 VanDerWaalsContact O-CA 3.28Å; D431-Y476 WeakPolarHBondContact O-CA 3.4Å; F432-Y476 HydrophobicContact CB-CD1 4.07Å; F432-Y476 HydrophobicContact CB-CE1 3.98Å; F432-Y476 HydrophobicContact CD2-CD1 4.31Å; F432-Y476 AromaticContact CD2-CE1 3.75Å; F432-Y476 HydrophobicContact CD2-CE1 3.75Å; F432-Y476 HydrophobicContact CG-CE1 4.37Å; Y476-T478 PolarHBondContact O-N 3.32Å; Y476-G479 PolarHBondContact N-O 3.05Å; Y476-G479 PolarHBondContact O-N 2.94Å; Y476-T481 HydrophobicContact CD2-CG2 4.03Å; Y476-T481 HydrophobicContact CE2-CG2 3.75Å; Y476-F550 VanDerWaalsContact O-CB 3.22Å; Y476-F550 WeakPolarHBondContact O-CB 3.42Å; Y476-F550 WeakPolarHBondContact O-CD2 3.11Å; Y476-F550 WeakPolarHBondContact O-CG 3.2Å
477M95.4Very high98Very high70 Ų706.5 Ų6.535%0.3454%0.035SC..THydrogen-bonded Turntrans-55.5-19.2-176.8-68.4-68.5-145.800114.8L190 D431 F550L190-M477 HydrophobicContact CD1-CE 3.86Å; L190-M477 HydrophobicContact CD1-SD 4.19Å; D431-M477 HydrophobicContact CB-CB 3.96Å; D431-M477 HydrophobicContact CB-CG 3.94Å; D431-M477 PolarHBondContact O-N 3.42Å; D431-M477 VanDerWaalsContact O-N 3.08Å; M477-F550 HydrophobicContact SD-CD1 4.34Å; M477-F550 HydrophobicContact SD-CE1 3.45Å; M477-F550 WeakPolarHBondContact SD-CE1 3.3Å; M477-F550 HydrophobicContact SD-CZ 3.73Å
478T94.5Very high98Very high40 Ų406.5 Ų6.525%0.2454%0.035CC..THydrogen-bonded Turntrans-1198.8-179.1620000114.8F196 G353 I354 Y476F196-T478 HydrophobicContact CD2-CG2 4.07Å; F196-T478 HydrophobicContact CE2-CG2 4.42Å; F196-T478 WeakPolarHBondContact CE2-O 3.42Å; F196-T478 HydrophobicContact CG-CG2 4.3Å; F196-T478 VanDerWaalsContact CZ-CA 3.42Å; F196-T478 WeakPolarHBondContact CZ-O 3.24Å; G353-T478 CarbonylContact C-O 3.06Å; G353-T478 PolarHBondContact O-OG1 3.18Å; I354-T478 PolarHBondContact N-O 2.75Å; Y476-T478 PolarHBondContact O-N 3.32Å
479G96.9Very high98Very high0 Ų06.5 Ų6.50%04%0.035CC..EExtended strand (participates in β ladder)trans173.4165.5177.800000114.4Y476Y476-G479 PolarHBondContact N-O 3.05Å; Y476-G479 PolarHBondContact O-N 2.94Å
480T98.6Very high97.8Very high0 Ų06.4 Ų6.40%03%0.034CC..EExtended strand (participates in β ladder)trans-115.1130.3174.3-54.70000107.1H358 G474 Q475 V547 G548 F550 L551 V553H358-T480 PolarHBondContact CE1-O 2.98Å; H358-T480 VanDerWaalsContact CE1-O 3.27Å; G474-T480 WeakPolarHBondContact O-CA 3.47Å; Q475-T480 PolarHBondContact OE1-OG1 2.87Å; T480-V547 HydrophobicContact CG2-CG1 4.34Å; T480-G548 WeakPolarHBondContact CB-O 3.34Å; T480-G548 PolarHBondContact OG1-O 2.92Å; T480-F550 WeakPolarHBondContact OG1-CA 3.4Å; T480-F550 PolarHBondContact OG1-N 3.38Å; T480-L551 PolarHBondContact OG1-N 3.37Å; T480-L551 VanDerWaalsContact OG1-N 3.09Å; T480-L551 PolarHBondContact OG1-O 2.87Å; T480-V553 HydrophobicContact CG2-CB 3.91Å; T480-V553 HydrophobicContact CG2-CG2 4.16Å
481T98.6Very high97.5Very high0 Ų014.2 Ų14.20%07%0.071CC..  trans-108.3151.6-179.871.40000111.3I357 D361 S436 G473 G474 Y476I357-T481 HydrophobicContact CG2-CG2 4.3Å; D361-T481 HydrophobicContact CB-CG2 3.8Å; D361-T481 PolarHBondContact OD1-OG1 2.78Å; D361-T481 WeakPolarHBondContact OD2-CB 3.26Å; D361-T481 PolarHBondContact OD2-OG1 2.93Å; S436-T481 PolarHBondContact OG-O 3.24Å; G473-T481 VanDerWaalsContact CA-O 3.3Å; G473-T481 WeakPolarHBondContact CA-O 3.39Å; G474-T481 PolarHBondContact N-OG1 3.08Å; G474-T481 PolarHBondContact O-N 2.62Å; Y476-T481 HydrophobicContact CD2-CG2 4.03Å; Y476-T481 HydrophobicContact CE2-CG2 3.75Å
482D98.5Very high97.4Very high3 Ų314.7 Ų14.72%0.0168%0.075CC..  trans-150.6128.9177.7-157.8-14.6000109.4F437 H545 V553 T585 V603F437-D482 HydrophobicContact CE1-CB 4.39Å; F437-D482 VanDerWaalsContact CE1-OD1 3.26Å; F437-D482 WeakPolarHBondContact CE1-OD1 3.48Å; F437-D482 WeakPolarHBondContact CZ-OD1 3.5Å; D482-H545 IonicContact OD2-CE1 2.72Å; D482-H545 PolarHBondContact OD2-CE1 3.1Å; D482-H545 IonicContact OD2-NE2 3.97Å; D482-H545 PolarHBondContact OD2-NE2 2.86Å; D482-V553 HydrophobicContact CB-CG2 3.98Å; D482-V553 VanDerWaalsContact OD2-CG2 3.24Å; D482-V553 WeakPolarHBondContact OD2-CG2 3.41Å; D482-T585 HydrophobicContact CB-CG2 4.3Å; D482-V603 HydrophobicContact CB-CG2 4.03Å; D482-V603 WeakPolarHBondContact O-CG2 3.25Å
483V98.7Very high97.3Very high2 Ų218.1 Ų18.11%0.01210%0.096CC..EExtended strand (participates in β ladder)trans-163.5119.8-176.853.30000112.2L365 S472 R485 T651 V653L365-V483 HydrophobicContact CD2-CB 4.32Å; L365-V483 HydrophobicContact CD2-CG1 3.6Å; L365-V483 HydrophobicContact CD2-CG2 3.72Å; S472-V483 PolarHBondContact N-O 3.14Å; S472-V483 VanDerWaalsContact N-O 3.15Å; S472-V483 WeakPolarHBondContact O-CG1 3.48Å; S472-V483 PolarHBondContact O-N 3.23Å; V483-R485 HydrophobicContact CG2-CG 4.45Å; V483-T651 HydrophobicContact CB-CG2 3.88Å; V483-T651 HydrophobicContact CG2-CG2 3.52Å; V483-V653 HydrophobicContact CG2-CG2 4.37Å
484T98.7Very high97.3Very high0 Ų023.5 Ų23.50%012%0.124CC..EExtended strand (participates in β ladder)trans-100.7131.3163.9-49.40000113.5L469 V470 D471 R599 E601L469-T484 HydrophobicContact CD2-CG2 4Å; L469-T484 HydrophobicContact CG-CG2 4.12Å; V470-T484 CarbonylContact O-C 3.16Å; V470-T484 VanDerWaalsContact O-CA 3.26Å; V470-T484 WeakPolarHBondContact O-CA 3.5Å; V470-T484 WeakPolarHBondContact O-CG2 3.33Å; D471-T484 HydrophobicContact CB-CG2 3.81Å; D471-T484 WeakPolarHBondContact CB-OG1 3.29Å; D471-T484 PolarHBondContact OD1-OG1 3.03Å; T484-R599 HydrophobicContact CG2-CB 3.78Å; T484-R599 HydrophobicContact CG2-CG 3.86Å; T484-R599 WeakPolarHBondContact CG2-O 3.35Å; T484-R599 PolarHBondContact OG1-NE 3.34Å; T484-E601 PolarHBondContact N-OE2 2.73Å; T484-E601 PolarHBondContact O-N 2.83Å; T484-E601 PolarHBondContact OG1-OE2 3.5Å
485R98.7Very high97.3Very high2 Ų228.7 Ų28.71%0.00815%0.148CC..EExtended strand (participates in β ladder)trans-128144.5162.8-71.9-68.1175.4-77.91.5111.1L369 V470 V483 E601 N602 V653 P654 Y676L369-R485 HydrophobicContact CD1-CB 4.29Å; L369-R485 HydrophobicContact CD1-CG 4.37Å; V470-R485 PolarHBondContact N-O 2.8Å; V470-R485 PolarHBondContact O-N 2.93Å; V483-R485 HydrophobicContact CG2-CG 4.45Å; R485-E601 PolarHBondContact NH1-O 3.2Å; R485-N602 PolarHBondContact NH2-OD1 3.42Å; R485-V653 HydrophobicContact CG-CB 4.36Å; R485-V653 HydrophobicContact CG-CG1 3.68Å; R485-V653 VanDerWaalsContact CZ-O 3.24Å; R485-V653 PolarHBondContact NE-O 3.13Å; R485-V653 PolarHBondContact NH2-O 2.82Å; R485-P654 PolarHBondContact NE-O 3.31Å; R485-Y676 PolarHBondContact NH2-OH 2.97Å; R485-Y676 VanDerWaalsContact NH2-OH 3.14Å
486T98.8Very high97.3Very high0 Ų030.3 Ų30.30%016%0.156CC..EExtended strand (participates in β ladder)trans-115.5131167.9-50.50000108.6I467 Y468 L469 Y500 I598 R599 F659I467-T486 HydrophobicContact CG2-CG2 3.6Å; Y468-T486 CarbonylContact O-C 3.53Å; Y468-T486 WeakPolarHBondContact O-CA 3.27Å; L469-T486 HydrophobicContact CB-CG2 4.33Å; T486-Y500 VanDerWaalsContact O-CE2 3.27Å; T486-Y500 WeakPolarHBondContact O-CE2 3.1Å; T486-I598 HydrophobicContact CG2-CB 4.49Å; T486-I598 HydrophobicContact CG2-CG1 4.27Å; T486-I598 HydrophobicContact CG2-CG2 4.41Å; T486-R599 PolarHBondContact OG1-N 2.89Å; T486-R599 VanDerWaalsContact OG1-N 3.12Å; T486-R599 PolarHBondContact OG1-O 3.5Å; T486-F659 HydrophobicContact CG2-CE1 4.4Å
487I98.6Very high97.3Very high3 Ų333.1 Ų33.12%0.01517%0.168CC..EExtended strand (participates in β ladder)trans-131.5152.1177.967.2165.5000110.8L369 Y468 L489 Q656L369-I487 HydrophobicContact CD2-CD1 3.88Å; L369-I487 HydrophobicContact CD2-CG1 4.45Å; L369-I487 HydrophobicContact CD2-CG2 4.49Å; Y468-I487 HydrophobicContact CD1-CG1 4.19Å; Y468-I487 PolarHBondContact N-O 3.31Å; Y468-I487 PolarHBondContact O-N 3.44Å; I487-L489 HydrophobicContact CD1-CD2 3.61Å; I487-L489 HydrophobicContact CG1-CD2 4.21Å; I487-Q656 HydrophobicContact CB-CB 4.5Å; I487-Q656 HydrophobicContact CG2-CB 4.03Å; I487-Q656 HydrophobicContact CG2-CG 4.4Å
488H98.4Very high97.4Very high5 Ų532.2 Ų32.22%0.02317%0.165CC..EExtended strand (participates in β ladder)trans-100.5124169.6-164.6-74.7000110T465 G490 E491 Q496 Q656 K658 F659T465-H488 PolarHBondContact O-CE1 3.27Å; H488-G490 VanDerWaalsContact CE1-C 3.42Å; H488-G490 PolarHBondContact ND1-N 3.23Å; H488-G490 PolarHBondContact ND1-O 3.27Å; H488-E491 PolarHBondContact CE1-N 3.48Å; H488-E491 PolarHBondContact CE1-O 2.79Å; H488-Q496 PolarHBondContact NE2-OE1 2.89Å; H488-Q656 PolarHBondContact O-NE2 2.81Å; H488-K658 WeakPolarHBondContact O-CE 3.41Å; H488-K658 PolarHBondContact O-NZ 2.97Å; H488-K658 VanDerWaalsContact O-NZ 3.07Å; H488-F659 HydrophobicContact CB-CD1 3.9Å; H488-F659 HydrophobicContact CB-CD2 4.37Å; H488-F659 HydrophobicContact CB-CE1 3.88Å; H488-F659 HydrophobicContact CB-CE2 4.33Å; H488-F659 HydrophobicContact CB-CG 4.16Å; H488-F659 HydrophobicContact CB-CZ 4.1Å
489L97.5Very high97.6Very high0 Ų031.2 Ų31.20%016%0.159CC..SBendtrans-80.9-26-176.3-65.4179.7000113.5L372 A376 I394 I462 T463 N464 S466 I487L372-L489 HydrophobicContact CD1-CD1 4.44Å; L372-L489 HydrophobicContact CD2-CD1 4.4Å; L372-L489 HydrophobicContact CD2-CD2 4.19Å; L372-L489 HydrophobicContact CG-CD1 4.25Å; L372-L489 HydrophobicContact CG-CD2 3.88Å; A376-L489 HydrophobicContact CB-CB 3.88Å; A376-L489 HydrophobicContact CB-CD2 4.31Å; I394-L489 HydrophobicContact CD1-CD1 4.34Å; I462-L489 HydrophobicContact CG2-CD1 3.51Å; T463-L489 VanDerWaalsContact O-CD1 3.25Å; T463-L489 WeakPolarHBondContact O-CD1 3.32Å; N464-L489 CarbonylContact O-C 3.56Å; S466-L489 PolarHBondContact O-N 2.96Å; I487-L489 HydrophobicContact CD1-CD2 3.61Å; I487-L489 HydrophobicContact CG1-CD2 4.21Å
490G93.8Very high97.7Very high2 Ų231.2 Ų31.22%0.02116%0.159CC..SBendtrans-109.3-139175.200000113.3N464 H488 K658N464-G490 WeakPolarHBondContact O-CA 3.29Å; N464-G490 PolarHBondContact O-N 2.85Å; H488-G490 VanDerWaalsContact CE1-C 3.42Å; H488-G490 PolarHBondContact ND1-N 3.23Å; H488-G490 PolarHBondContact ND1-O 3.27Å; G490-K658 PolarHBondContact O-NZ 2.8Å
491E92.6Very high97.7Very high164 Ų16431.2 Ų31.277%0.76616%0.159SC*.PPolyproline II helixtrans-94.4122.2171.3-68.2-57.9139.800111.4H488H488-E491 PolarHBondContact CE1-N 3.48Å; H488-E491 PolarHBondContact CE1-O 2.79Å
492S95.4Very high97.7Very high17 Ų1731.6 Ų31.612%0.11916%0.162CC..PPolyproline II helixtrans-86.8147.418050.70000112.8Q496 K497S492-Q496 VanDerWaalsContact CA-OE1 3.32Å; S492-K497 WeakPolarHBondContact OG-CE 3.39Å; S492-K497 WeakPolarHBondContact OG-CG 3.49Å
493T97.4Very high97.7Very high72 Ų7231.5 Ų31.544%0.44216%0.161SC..PPolyproline II helixtrans-72.7159.917274.30000111.1E495 Q496 K497T493-E495 PolarHBondContact O-N 2.88Å; T493-Q496 PolarHBondContact O-N 3.47Å; T493-Q496 VanDerWaalsContact OG1-CG 3.28Å; T493-Q496 WeakPolarHBondContact OG1-CG 3.28Å; T493-Q496 PolarHBondContact OG1-N 3.3Å; T493-K497 WeakPolarHBondContact O-CG 3.44Å; T493-K497 PolarHBondContact O-N 2.77Å
494L98Very high97.7Very high113 Ų11331.4 Ų31.459%0.59216%0.161SC*.Hα-helixtrans-58.6-37.9174.8-178.961.1000112K497 N498L494-K497 PolarHBondContact O-N 2.99Å; L494-N498 WeakPolarHBondContact O-CB 3.44Å; L494-N498 PolarHBondContact O-N 3.32Å; L494-N498 PolarHBondContact O-ND2 2.9Å; L494-N498 PolarHBondContact O-OD1 3.37Å
495E97.5Very high97.7Very high109 Ų10932.4 Ų32.451%0.50917%0.165SC..Hα-helixtrans-62.5-47.5177-178.2173.1-139.500111.8T493 K497 N498 C499 W592T493-E495 PolarHBondContact O-N 2.88Å; E495-K497 VanDerWaalsContact C-N 3.34Å; E495-K497 PolarHBondContact O-N 2.88Å; E495-N498 PolarHBondContact O-N 3.44Å; E495-N498 VanDerWaalsContact O-N 3.16Å; E495-C499 PolarHBondContact O-N 2.96Å; E495-C499 PolarHBondContact O-SG 3.42Å; E495-C499 VanDerWaalsContact O-SG 3.4Å; E495-W592 HydrophobicContact CG-CZ3 4.29Å; E495-W592 WeakPolarHBondContact OE1-CH2 3.38Å
496Q98.2Very high97.7Very high35 Ų3532.3 Ų32.316%0.16417%0.165CC..Hα-helixtrans-61.8-42.9176.9-65.4165.8-24.300111.2I467 H488 S492 T493 N498 C499 Y500 F596 F659I467-Q496 HydrophobicContact CD1-CB 4.44Å; I467-Q496 HydrophobicContact CD1-CG 3.92Å; H488-Q496 PolarHBondContact NE2-OE1 2.89Å; S492-Q496 VanDerWaalsContact CA-OE1 3.32Å; T493-Q496 PolarHBondContact O-N 3.47Å; T493-Q496 VanDerWaalsContact OG1-CG 3.28Å; T493-Q496 WeakPolarHBondContact OG1-CG 3.28Å; T493-Q496 PolarHBondContact OG1-N 3.3Å; Q496-N498 VanDerWaalsContact C-N 3.31Å; Q496-N498 PolarHBondContact O-N 3.11Å; Q496-C499 PolarHBondContact O-N 3.4Å; Q496-Y500 WeakPolarHBondContact O-CB 3.28Å; Q496-Y500 PolarHBondContact O-N 2.95Å; Q496-F596 HydrophobicContact CG-CD1 4.44Å; Q496-F596 HydrophobicContact CG-CE1 3.84Å; Q496-F596 HydrophobicContact CG-CZ 4.15Å; Q496-F659 HydrophobicContact CB-CE2 3.68Å; Q496-F659 HydrophobicContact CB-CZ 4.11Å
497K98.5Very high97.7Very high58 Ų5832.3 Ų32.325%0.25217%0.165SC..Hα-helixtrans-60.4-40.6174.7-70.5-173.8179.7-166.80111.9S492 T493 L494 E495 Y500 T501 K658 F659 N661S492-K497 WeakPolarHBondContact OG-CE 3.39Å; S492-K497 WeakPolarHBondContact OG-CG 3.49Å; T493-K497 WeakPolarHBondContact O-CG 3.44Å; T493-K497 PolarHBondContact O-N 2.77Å; L494-K497 PolarHBondContact O-N 2.99Å; E495-K497 VanDerWaalsContact C-N 3.34Å; E495-K497 PolarHBondContact O-N 2.88Å; K497-Y500 PolarHBondContact O-N 3.44Å; K497-T501 VanDerWaalsContact O-CB 3.29Å; K497-T501 WeakPolarHBondContact O-CB 3.18Å; K497-T501 PolarHBondContact O-N 2.85Å; K497-T501 PolarHBondContact O-OG1 3.21Å; K497-K658 VanDerWaalsContact CE-O 3.24Å; K497-K658 WeakPolarHBondContact CE-O 3.21Å; K497-K658 PolarHBondContact NZ-O 2.74Å; K497-F659 WeakPolarHBondContact CA-O 3.49Å; K497-F659 HydrophobicContact CG-CD2 4.07Å; K497-N661 HydrophobicContact CB-CB 4.17Å
498N98.2Very high97.7Very high51 Ų5132.2 Ų32.227%0.27316%0.164SC..Hα-helixtrans-66.3-44.5178.2-68.2-8.5000111.3L494 E495 Q496 T501 S502 N661 M664L494-N498 WeakPolarHBondContact O-CB 3.44Å; L494-N498 PolarHBondContact O-N 3.32Å; L494-N498 PolarHBondContact O-ND2 2.9Å; L494-N498 PolarHBondContact O-OD1 3.37Å; E495-N498 PolarHBondContact O-N 3.44Å; E495-N498 VanDerWaalsContact O-N 3.16Å; Q496-N498 VanDerWaalsContact C-N 3.31Å; Q496-N498 PolarHBondContact O-N 3.11Å; N498-T501 PolarHBondContact O-N 2.84Å; N498-S502 PolarHBondContact O-N 2.67Å; N498-S502 PolarHBondContact O-OG 3.44Å; N498-S502 VanDerWaalsContact O-OG 3.1Å; N498-N661 PolarHBondContact OD1-ND2 3.04Å; N498-M664 HydrophobicContact CB-CE 4.37Å; N498-M664 HydrophobicContact CB-SD 3.83Å; N498-M664 PolarHBondContact OD1-SD 3.47Å
499C98.2Very high97.7Very high20 Ų2033 Ų3314%0.13517%0.172CC..Hα-helixtrans-59.4-47.5174.1-68.40000111.6E495 Q496 T501 S502 V503 Y590 F596 I598E495-C499 PolarHBondContact O-N 2.96Å; E495-C499 PolarHBondContact O-SG 3.42Å; E495-C499 VanDerWaalsContact O-SG 3.4Å; Q496-C499 PolarHBondContact O-N 3.4Å; C499-T501 VanDerWaalsContact C-N 3.33Å; C499-T501 PolarHBondContact O-N 3.21Å; C499-S502 PolarHBondContact O-N 3.47Å; C499-V503 PolarHBondContact O-N 3.45Å; C499-Y590 HydrophobicContact CB-CD1 4.12Å; C499-Y590 HydrophobicContact CB-CE1 4.27Å; C499-F596 HydrophobicContact CB-CE2 3.95Å; C499-F596 HydrophobicContact CB-CZ 4.13Å; C499-I598 HydrophobicContact CB-CD1 3.81Å
500Y98.7Very high97.8Very high0 Ų033 Ų330%017%0.172CC..Hα-helixtrans-58.5-47.3177.6-176.6-88000111.6T486 Q496 K497 S502 V503 L504 I598 L600 F655 Q656 F659 I660T486-Y500 VanDerWaalsContact O-CE2 3.27Å; T486-Y500 WeakPolarHBondContact O-CE2 3.1Å; Q496-Y500 WeakPolarHBondContact O-CB 3.28Å; Q496-Y500 PolarHBondContact O-N 2.95Å; K497-Y500 PolarHBondContact O-N 3.44Å; Y500-S502 VanDerWaalsContact C-N 3.34Å; Y500-S502 PolarHBondContact O-N 2.69Å; Y500-V503 PolarHBondContact O-N 3.06Å; Y500-L504 HydrophobicContact CE1-CD2 4.46Å; Y500-L504 PolarHBondContact O-N 3.09Å; Y500-I598 VanDerWaalsContact CA-CD1 3.47Å; Y500-I598 HydrophobicContact CD2-CD1 4.43Å; Y500-I598 HydrophobicContact CD2-CG2 3.82Å; Y500-I598 HydrophobicContact CE2-CG2 4.4Å; Y500-I598 VanDerWaalsContact N-CD1 3.31Å; Y500-L600 HydrophobicContact CE1-CD1 4.34Å; Y500-L600 HydrophobicContact CE2-CD1 4.17Å; Y500-L600 HydrophobicContact CE2-CD2 3.79Å; Y500-L600 HydrophobicContact CE2-CG 4.41Å; Y500-F655 WeakPolarHBondContact OH-CA 3.42Å; Y500-F655 WeakPolarHBondContact OH-CB 3.48Å; Y500-Q656 PolarHBondContact OH-N 2.82Å; Y500-Q656 VanDerWaalsContact OH-N 3.1Å; Y500-F659 HydrophobicContact CD1-CB 4.08Å; Y500-F659 HydrophobicContact CD1-CG 4.22Å; Y500-F659 WeakPolarHBondContact CD1-O 3.13Å; Y500-F659 HydrophobicContact CD2-CB 4.33Å; Y500-F659 AromaticContact CD2-CD1 3.35Å; Y500-F659 HydrophobicContact CD2-CD1 3.35Å; Y500-F659 AromaticContact CD2-CE1 3.7Å; Y500-F659 HydrophobicContact CD2-CE1 3.7Å; Y500-F659 AromaticContact CD2-CG 3.82Å; Y500-F659 HydrophobicContact CD2-CG 3.82Å; Y500-F659 HydrophobicContact CD2-CZ 4.43Å; Y500-F659 HydrophobicContact CE1-CB 4.26Å; Y500-F659 HydrophobicContact CE2-CB 4.47Å; Y500-F659 AromaticContact CE2-CD1 3.77Å; Y500-F659 HydrophobicContact CE2-CD1 3.77Å; Y500-F659 HydrophobicContact CE2-CE1 4.39Å; Y500-F659 HydrophobicContact CE2-CG 4.33Å; Y500-F659 HydrophobicContact CG-CB 4.13Å; Y500-F659 AromaticContact CG-CD1 3.8Å; Y500-F659 HydrophobicContact CG-CD1 3.8Å; Y500-F659 HydrophobicContact CG-CD2 4.17Å; Y500-F659 HydrophobicContact CG-CE1 4.25Å; Y500-F659 AromaticContact CG-CG 3.75Å; Y500-F659 HydrophobicContact CG-CG 3.75Å; Y500-I660 HydrophobicContact CD1-CG1 3.93Å; Y500-I660 HydrophobicContact CE1-CD1 4.28Å; Y500-I660 HydrophobicContact CE1-CG1 3.52Å
501T98.7Very high98Very high0 Ų033.2 Ų33.20%017%0.173CC..Hα-helixtrans-67.5-34.4-178.3-51.80000111.7K497 N498 C499 L504 K505 I660 N661 M664 L665K497-T501 VanDerWaalsContact O-CB 3.29Å; K497-T501 WeakPolarHBondContact O-CB 3.18Å; K497-T501 PolarHBondContact O-N 2.85Å; K497-T501 PolarHBondContact O-OG1 3.21Å; N498-T501 PolarHBondContact O-N 2.84Å; C499-T501 VanDerWaalsContact C-N 3.33Å; C499-T501 PolarHBondContact O-N 3.21Å; T501-L504 PolarHBondContact O-N 3.27Å; T501-K505 HydrophobicContact CG2-CD 4.45Å; T501-K505 HydrophobicContact CG2-CG 4.46Å; T501-K505 WeakPolarHBondContact O-CB 3.02Å; T501-K505 VanDerWaalsContact O-CG 3.27Å; T501-K505 WeakPolarHBondContact O-CG 3.11Å; T501-K505 PolarHBondContact O-N 3.25Å; T501-I660 HydrophobicContact CG2-CG2 4.39Å; T501-N661 PolarHBondContact OG1-N 2.94Å; T501-M664 HydrophobicContact CG2-CB 3.87Å; T501-M664 HydrophobicContact CG2-SD 4.35Å; T501-L665 HydrophobicContact CG2-CD2 3.81Å; T501-L665 HydrophobicContact CG2-CG 4.01Å
502S98.5Very high98.2Very high8 Ų828 Ų286%0.05615%0.15CC..Hα-helixtrans-63.5-42.3173.5-67.80000112.7N498 C499 Y500 L504 K505 A506 F535N498-S502 PolarHBondContact O-N 2.67Å; N498-S502 PolarHBondContact O-OG 3.44Å; N498-S502 VanDerWaalsContact O-OG 3.1Å; C499-S502 PolarHBondContact O-N 3.47Å; Y500-S502 VanDerWaalsContact C-N 3.34Å; Y500-S502 PolarHBondContact O-N 2.69Å; S502-L504 VanDerWaalsContact C-N 3.35Å; S502-K505 PolarHBondContact O-N 3.18Å; S502-A506 PolarHBondContact O-N 2.7Å; S502-F535 WeakPolarHBondContact OG-CE2 3.47Å
503V98.7Very high98.2Very high0 Ų030.3 Ų30.30%016%0.158CC..Hα-helixtrans-65-41.2174.2178.50000110.7C499 Y500 A506 H507 M532 P588 I598 L600C499-V503 PolarHBondContact O-N 3.45Å; Y500-V503 PolarHBondContact O-N 3.06Å; V503-A506 WeakPolarHBondContact O-CB 3.49Å; V503-A506 PolarHBondContact O-N 3.37Å; V503-H507 PolarHBondContact O-N 3.2Å; V503-M532 HydrophobicContact CG2-CE 4.05Å; V503-M532 HydrophobicContact CG2-SD 4.22Å; V503-P588 HydrophobicContact CG1-CB 4.39Å; V503-P588 HydrophobicContact CG1-CG 4.24Å; V503-P588 VanDerWaalsContact CG1-O 3.3Å; V503-P588 WeakPolarHBondContact CG1-O 3.43Å; V503-I598 HydrophobicContact CB-CG2 4.02Å; V503-I598 HydrophobicContact CG1-CG2 4.16Å; V503-I598 HydrophobicContact CG2-CB 4.18Å; V503-I598 HydrophobicContact CG2-CG2 4.02Å; V503-L600 HydrophobicContact CB-CD1 4.41Å; V503-L600 HydrophobicContact CG1-CB 4.1Å; V503-L600 HydrophobicContact CG1-CD1 4.07Å; V503-L600 HydrophobicContact CG1-CG 3.98Å
504L98.8Very high98.1Very high0 Ų030.6 Ų30.60%016%0.157CC..Hα-helixtrans-61.6-45.3174.8178.958.9000111.5Y500 T501 S502 A506 H507 I508 L600 F655 I660 L673Y500-L504 HydrophobicContact CE1-CD2 4.46Å; Y500-L504 PolarHBondContact O-N 3.09Å; T501-L504 PolarHBondContact O-N 3.27Å; S502-L504 VanDerWaalsContact C-N 3.35Å; L504-A506 VanDerWaalsContact C-N 3.28Å; L504-A506 PolarHBondContact O-N 3.48Å; L504-H507 WeakPolarHBondContact O-CB 3.42Å; L504-H507 PolarHBondContact O-N 3.5Å; L504-H507 VanDerWaalsContact O-N 3.08Å; L504-I508 HydrophobicContact CD1-CD1 3.98Å; L504-I508 HydrophobicContact CD1-CG1 4.04Å; L504-I508 HydrophobicContact CD2-CD1 4.42Å; L504-I508 HydrophobicContact CG-CD1 3.78Å; L504-I508 HydrophobicContact CG-CG1 4.26Å; L504-I508 VanDerWaalsContact O-CG1 3.25Å; L504-I508 WeakPolarHBondContact O-CG1 3.4Å; L504-I508 PolarHBondContact O-N 3.17Å; L504-L600 HydrophobicContact CB-CD1 3.8Å; L504-L600 HydrophobicContact CD1-CD1 4.24Å; L504-F655 HydrophobicContact CD1-CB 4.31Å; L504-F655 HydrophobicContact CD1-CD1 3.94Å; L504-F655 HydrophobicContact CD1-CD2 3.51Å; L504-F655 HydrophobicContact CD1-CE1 4.11Å; L504-F655 HydrophobicContact CD1-CE2 3.68Å; L504-F655 HydrophobicContact CD1-CG 3.64Å; L504-F655 HydrophobicContact CD1-CZ 3.98Å; L504-I660 HydrophobicContact CD2-CD1 3.51Å; L504-I660 HydrophobicContact CD2-CG1 3.76Å; L504-I660 HydrophobicContact CD2-CG2 4.36Å; L504-L673 HydrophobicContact CD2-CD2 4.24Å
505K98.7Very high98Very high22 Ų2225.4 Ų25.410%0.09613%0.129CC..Hα-helixtrans-58.5-40.3174.7-72.7173.473.776.40111.6T501 S502 H507 I508 A509 I531 M664 L665 E669T501-K505 HydrophobicContact CG2-CD 4.45Å; T501-K505 HydrophobicContact CG2-CG 4.46Å; T501-K505 WeakPolarHBondContact O-CB 3.02Å; T501-K505 VanDerWaalsContact O-CG 3.27Å; T501-K505 WeakPolarHBondContact O-CG 3.11Å; T501-K505 PolarHBondContact O-N 3.25Å; S502-K505 PolarHBondContact O-N 3.18Å; K505-H507 VanDerWaalsContact C-N 3.32Å; K505-H507 PolarHBondContact O-N 3.06Å; K505-I508 PolarHBondContact O-N 3.49Å; K505-A509 VanDerWaalsContact O-CB 3.26Å; K505-A509 WeakPolarHBondContact O-CB 3.32Å; K505-A509 PolarHBondContact O-N 3.07Å; K505-I531 HydrophobicContact CB-CG2 3.71Å; K505-M664 PolarHBondContact NZ-O 2.93Å; K505-L665 HydrophobicContact CD-CD2 4.11Å; K505-L665 HydrophobicContact CG-CD2 3.45Å; K505-L665 VanDerWaalsContact CG-CD2 3.45Å; K505-E669 WeakPolarHBondContact CE-OE1 3.36Å; K505-E669 IonicContact NZ-OE1 2.7Å; K505-E669 PolarHBondContact NZ-OE1 3.15Å; K505-E669 IonicContact NZ-OE2 3.65Å; K505-E669 PolarHBondContact NZ-OE2 3.44Å
506A98.7Very high97.9Very high0 Ų022.6 Ų22.60%012%0.121CC..Hα-helixtrans-61.6-41.417500000111.7S502 V503 L504 S528 I531 M532 P588S502-A506 PolarHBondContact O-N 2.7Å; V503-A506 WeakPolarHBondContact O-CB 3.49Å; V503-A506 PolarHBondContact O-N 3.37Å; L504-A506 VanDerWaalsContact C-N 3.28Å; L504-A506 PolarHBondContact O-N 3.48Å; A506-S528 WeakPolarHBondContact CB-O 3.35Å; A506-S528 PolarHBondContact O-OG 2.88Å; A506-I531 HydrophobicContact CB-CB 4.01Å; A506-I531 HydrophobicContact CB-CG2 4.23Å; A506-M532 HydrophobicContact CB-CG 4.03Å; A506-M532 HydrophobicContact CB-SD 3.97Å; A506-P588 HydrophobicContact CB-CB 3.9Å; A506-P588 HydrophobicContact CB-CG 4.1Å
507H98.8Very high97.7Very high0 Ų022.5 Ų22.50%012%0.123CC..Hα-helixtrans-63.7-51.1176-177105.7000111V503 L504 K505 A509 L510 A511 I586 P588 L600 N602 F655 W672V503-H507 PolarHBondContact O-N 3.2Å; L504-H507 WeakPolarHBondContact O-CB 3.42Å; L504-H507 PolarHBondContact O-N 3.5Å; L504-H507 VanDerWaalsContact O-N 3.08Å; K505-H507 VanDerWaalsContact C-N 3.32Å; K505-H507 PolarHBondContact O-N 3.06Å; H507-A509 VanDerWaalsContact C-N 3.34Å; H507-A509 PolarHBondContact O-N 3.09Å; H507-L510 PolarHBondContact O-N 3.08Å; H507-A511 WeakPolarHBondContact O-CB 3.47Å; H507-A511 PolarHBondContact O-N 3.44Å; H507-I586 PolarHBondContact CE1-O 3.06Å; H507-I586 VanDerWaalsContact CE1-O 3.25Å; H507-I586 PolarHBondContact ND1-O 3.43Å; H507-P588 HydrophobicContact CB-CG 3.74Å; H507-L600 PolarHBondContact ND1-O 2.79Å; H507-L600 VanDerWaalsContact ND1-O 3.17Å; H507-N602 PolarHBondContact NE2-ND2 3.28Å; H507-F655 AromaticContact CD2-CZ 3.85Å; H507-F655 AromaticContact NE2-CZ 3.79Å; H507-W672 AromaticContact CD2-CH2 3.83Å; H507-W672 AromaticContact NE2-CH2 4Å
508I98.8Very high97.6Very high0 Ų024.5 Ų24.50%014%0.137CC..Hα-helixtrans-58.7-45.2-179.5-65.8176.9000110.9L504 K505 L510 A511 M512 E669 W672L504-I508 HydrophobicContact CD1-CD1 3.98Å; L504-I508 HydrophobicContact CD1-CG1 4.04Å; L504-I508 HydrophobicContact CD2-CD1 4.42Å; L504-I508 HydrophobicContact CG-CD1 3.78Å; L504-I508 HydrophobicContact CG-CG1 4.26Å; L504-I508 VanDerWaalsContact O-CG1 3.25Å; L504-I508 WeakPolarHBondContact O-CG1 3.4Å; L504-I508 PolarHBondContact O-N 3.17Å; K505-I508 PolarHBondContact O-N 3.49Å; I508-L510 VanDerWaalsContact C-N 3.28Å; I508-L510 PolarHBondContact O-N 2.99Å; I508-A511 PolarHBondContact O-N 3.27Å; I508-M512 HydrophobicContact CG2-CG 3.92Å; I508-M512 HydrophobicContact CG2-SD 3.33Å; I508-M512 WeakPolarHBondContact CG2-SD 3.36Å; I508-M512 WeakPolarHBondContact O-CB 3.3Å; I508-M512 VanDerWaalsContact O-CG 3.28Å; I508-M512 WeakPolarHBondContact O-CG 3.21Å; I508-M512 PolarHBondContact O-N 2.94Å; I508-E669 HydrophobicContact CD1-CB 4.31Å; I508-E669 HydrophobicContact CG2-CB 4.19Å; I508-E669 HydrophobicContact CG2-CG 3.9Å; I508-W672 HydrophobicContact CB-CE3 4.3Å; I508-W672 HydrophobicContact CD1-CE3 3.9Å; I508-W672 HydrophobicContact CD1-CZ3 4.17Å; I508-W672 HydrophobicContact CG1-CD2 4.28Å; I508-W672 HydrophobicContact CG1-CE3 3.5Å; I508-W672 VanDerWaalsContact CG1-CE3 3.5Å; I508-W672 HydrophobicContact CG1-CH2 4.35Å; I508-W672 HydrophobicContact CG1-CZ3 3.54Å; I508-W672 HydrophobicContact CG2-CB 4.32Å; I508-W672 HydrophobicContact CG2-CD2 4.12Å; I508-W672 HydrophobicContact CG2-CE3 4.11Å; I508-W672 HydrophobicContact CG2-CG 4.23Å
509A98.5Very high97.5Very high22 Ų2223 Ų2318%0.18213%0.129CC..Hα-helixtrans-56.3-41.7-17800000112.4K505 H507 I527 I531K505-A509 VanDerWaalsContact O-CB 3.26Å; K505-A509 WeakPolarHBondContact O-CB 3.32Å; K505-A509 PolarHBondContact O-N 3.07Å; H507-A509 VanDerWaalsContact C-N 3.34Å; H507-A509 PolarHBondContact O-N 3.09Å; A509-I527 HydrophobicContact CB-CG2 4.07Å; A509-I531 HydrophobicContact CB-CD1 4.2Å; A509-I531 HydrophobicContact CB-CG1 3.76Å
510L98.5Very high97.4Very high0 Ų022.7 Ų22.70%013%0.128CC..Hα-helixtrans-79.1-40175.9-179.256.1000112.5H507 I508 M512 Q513 L524 I527 S528 T543 L560 I586 F647H507-L510 PolarHBondContact O-N 3.08Å; I508-L510 VanDerWaalsContact C-N 3.28Å; I508-L510 PolarHBondContact O-N 2.99Å; L510-M512 PolarHBondContact O-N 3.31Å; L510-Q513 HydrophobicContact CD1-CB 4.45Å; L510-Q513 VanDerWaalsContact O-CB 3.23Å; L510-Q513 WeakPolarHBondContact O-CB 3.45Å; L510-Q513 PolarHBondContact O-N 3Å; L510-L524 HydrophobicContact CD1-CB 3.84Å; L510-I527 HydrophobicContact CD1-CD1 4.4Å; L510-S528 WeakPolarHBondContact CB-OG 3.38Å; L510-S528 WeakPolarHBondContact CD2-OG 3.49Å; L510-T543 HydrophobicContact CD2-CG2 3.54Å; L510-L560 HydrophobicContact CD2-CD1 4.02Å; L510-I586 HydrophobicContact CB-CD1 4.49Å; L510-I586 HydrophobicContact CB-CG2 4.4Å; L510-I586 HydrophobicContact CD2-CD1 4.43Å; L510-I586 HydrophobicContact CD2-CG1 4.16Å; L510-I586 HydrophobicContact CD2-CG2 4.16Å; L510-I586 HydrophobicContact CG-CD1 4.02Å; L510-I586 HydrophobicContact CG-CG1 4.3Å; L510-I586 HydrophobicContact CG-CG2 4.48Å; L510-F647 HydrophobicContact CD1-CE2 3.91Å; L510-F647 HydrophobicContact CG-CE2 4.25Å; L510-F647 VanDerWaalsContact O-CD2 3.3Å; L510-F647 WeakPolarHBondContact O-CD2 3.28Å; L510-F647 WeakPolarHBondContact O-CE2 3.36Å
511A98.3Very high97.3Very high7 Ų722.7 Ų22.76%0.05813%0.128CC..Hα-helixtrans-62.8-26.9178.700000113.3H507 I508 Q513 I586 W672H507-A511 WeakPolarHBondContact O-CB 3.47Å; H507-A511 PolarHBondContact O-N 3.44Å; I508-A511 PolarHBondContact O-N 3.27Å; A511-Q513 VanDerWaalsContact C-N 3.33Å; A511-I586 HydrophobicContact CB-CD1 4Å; A511-W672 HydrophobicContact CB-CH2 4.27Å; A511-W672 HydrophobicContact CB-CZ2 3.47Å; A511-W672 VanDerWaalsContact CB-CZ2 3.47Å
512M97.2Very high97.1Very high54 Ų5423.4 Ų23.427%0.26613%0.132SC..THydrogen-bonded Turntrans-83.2-4.9175.4-71.917868.100114I508 L510 I514 D668 W672I508-M512 HydrophobicContact CG2-CG 3.92Å; I508-M512 HydrophobicContact CG2-SD 3.33Å; I508-M512 WeakPolarHBondContact CG2-SD 3.36Å; I508-M512 WeakPolarHBondContact O-CB 3.3Å; I508-M512 VanDerWaalsContact O-CG 3.28Å; I508-M512 WeakPolarHBondContact O-CG 3.21Å; I508-M512 PolarHBondContact O-N 2.94Å; L510-M512 PolarHBondContact O-N 3.31Å; M512-I514 PolarHBondContact O-N 3.22Å; M512-D668 HydrophobicContact CE-CB 4.08Å; M512-W672 HydrophobicContact CG-CB 4.16Å; M512-W672 VanDerWaalsContact CG-CD1 3.41Å; M512-W672 HydrophobicContact CG-CG 3.78Å; M512-W672 HydrophobicContact SD-CB 3.96Å; M512-W672 HydrophobicContact SD-CG 4.19Å
513Q95.8Very high96.9Very high65 Ų6531.3 Ų31.330%0.30416%0.161SC..  trans-72.3130.4-169.3-171.259.942.200112.3L510 A511 F515 L524 I527L510-Q513 HydrophobicContact CD1-CB 4.45Å; L510-Q513 VanDerWaalsContact O-CB 3.23Å; L510-Q513 WeakPolarHBondContact O-CB 3.45Å; L510-Q513 PolarHBondContact O-N 3Å; A511-Q513 VanDerWaalsContact C-N 3.33Å; Q513-F515 HydrophobicContact CB-CD1 4.44Å; Q513-F515 HydrophobicContact CG-CB 4.42Å; Q513-F515 HydrophobicContact CG-CD1 4.1Å; Q513-L524 HydrophobicContact CG-CD2 4.28Å; Q513-I527 HydrophobicContact CB-CD1 4.38Å; Q513-I527 HydrophobicContact CG-CD1 3.7Å
514I95.6Very high96.8Very high79 Ų7931.7 Ų31.741%0.40516%0.163SC..  trans-99.2128.6163.6-66.8171.4000108.6M512 V609 W644 L645M512-I514 PolarHBondContact O-N 3.22Å; I514-V609 HydrophobicContact CB-CG2 4.41Å; I514-V609 HydrophobicContact CD1-CG1 4.32Å; I514-V609 HydrophobicContact CD1-CG2 4.34Å; I514-V609 HydrophobicContact CG1-CG2 3.99Å; I514-V609 HydrophobicContact CG2-CG2 3.77Å; I514-W644 HydrophobicContact CG2-CB 4.29Å; I514-W644 HydrophobicContact CG2-CD2 4.34Å; I514-W644 HydrophobicContact CG2-CE3 3.67Å; I514-W644 HydrophobicContact CG2-CZ3 4.39Å; I514-L645 WeakPolarHBondContact CA-O 3.33Å
515F95.6Very high96.7Very high4 Ų432 Ų322%0.01817%0.165CC..EExtended strand (participates in β ladder)trans-144.1154.6-17556.6-86.2000112Q513 L524 L578 V606 W644 L645 F647Q513-F515 HydrophobicContact CB-CD1 4.44Å; Q513-F515 HydrophobicContact CG-CB 4.42Å; Q513-F515 HydrophobicContact CG-CD1 4.1Å; F515-L524 HydrophobicContact CB-CD2 4.19Å; F515-L524 HydrophobicContact CD1-CD1 3.99Å; F515-L524 HydrophobicContact CD2-CD1 4.13Å; F515-L524 HydrophobicContact CE1-CD1 4.06Å; F515-L524 HydrophobicContact CE2-CD1 4.17Å; F515-L524 HydrophobicContact CG-CD1 4.03Å; F515-L524 HydrophobicContact CG-CD2 4.32Å; F515-L524 HydrophobicContact CZ-CD1 4.14Å; F515-L578 HydrophobicContact CE2-CB 3.84Å; F515-L578 HydrophobicContact CE2-CD1 3.99Å; F515-L578 HydrophobicContact CZ-CB 4.41Å; F515-L578 HydrophobicContact CZ-CD1 4.09Å; F515-V606 HydrophobicContact CE2-CG1 4.5Å; F515-V606 HydrophobicContact CZ-CG1 4.1Å; F515-W644 VanDerWaalsContact C-CE3 3.49Å; F515-L645 HydrophobicContact CD2-CB 4.2Å; F515-L645 HydrophobicContact CE1-CB 4.42Å; F515-L645 HydrophobicContact CE2-CB 3.72Å; F515-L645 HydrophobicContact CE2-CD1 4.05Å; F515-L645 HydrophobicContact CE2-CG 4.46Å; F515-L645 HydrophobicContact CZ-CB 3.85Å; F515-L645 PolarHBondContact N-O 3.32Å; F515-L645 PolarHBondContact O-N 3.2Å; F515-F647 HydrophobicContact CD1-CE2 4.28Å; F515-F647 HydrophobicContact CE1-CD2 4.05Å; F515-F647 HydrophobicContact CE1-CE1 4.09Å; F515-F647 AromaticContact CE1-CE2 3.47Å; F515-F647 HydrophobicContact CE1-CE2 3.47Å; F515-F647 VanDerWaalsContact CE1-CE2 3.47Å; F515-F647 AromaticContact CE1-CZ 3.5Å; F515-F647 HydrophobicContact CE1-CZ 3.5Å; F515-F647 VanDerWaalsContact CE1-CZ 3.5Å; F515-F647 AromaticContact CZ-CE1 3.98Å; F515-F647 HydrophobicContact CZ-CE1 3.98Å; F515-F647 HydrophobicContact CZ-CE2 4.16Å; F515-F647 AromaticContact CZ-CZ 3.7Å; F515-F647 HydrophobicContact CZ-CZ 3.7Å
516P94.8Very high96.6Very high50 Ų5034.1 Ų34.133%0.32518%0.179SC..EExtended strand (participates in β ladder)trans-69.8143.1176.527.3-30.8000110.5T519 T642 W644P516-T519 WeakPolarHBondContact CD-OG1 3.13Å; P516-T519 WeakPolarHBondContact CG-OG1 3.47Å; P516-T519 WeakPolarHBondContact O-CB 3.45Å; P516-T519 PolarHBondContact O-N 3.48Å; P516-T519 PolarHBondContact O-OG1 3.16Å; P516-T642 HydrophobicContact CB-CG2 3.74Å; P516-W644 HydrophobicContact CB-CZ3 4.46Å
517S95Very high96.6Very high32 Ų3235.8 Ų35.822%0.22419%0.188CC..THydrogen-bonded Turntrans-52.5147171.3-171.90000110.5T519 K643S517-T519 VanDerWaalsContact C-N 3.3Å; S517-K643 VanDerWaalsContact CB-O 3.31Å; S517-K643 WeakPolarHBondContact CB-O 3.25Å; S517-K643 PolarHBondContact N-O 3.19Å
518N95.4Very high96.5Very high100 Ų10035.8 Ų35.854%0.53519%0.188SC..THydrogen-bonded Turntrans67.719.6-172.6-57.2-36.7000115.3P520 G577 L578 Q579N518-P520 WeakPolarHBondContact O-CD 3.44Å; N518-G577 WeakPolarHBondContact O-CA 3.4Å; N518-L578 WeakPolarHBondContact CA-O 3.27Å; N518-L578 PolarHBondContact N-O 3.42Å; N518-Q579 VanDerWaalsContact OD1-CG 3.31Å; N518-Q579 WeakPolarHBondContact OD1-CG 3.48Å
519T96.9Very high96.5Very high19 Ų1937 Ų3712%0.11719%0.193CC..EExtended strand (participates in β ladder)trans-70.1122.6167.4-63.80000110.1P516 S517 G521 R523 L524 G577 L578P516-T519 WeakPolarHBondContact CD-OG1 3.13Å; P516-T519 WeakPolarHBondContact CG-OG1 3.47Å; P516-T519 WeakPolarHBondContact O-CB 3.45Å; P516-T519 PolarHBondContact O-N 3.48Å; P516-T519 PolarHBondContact O-OG1 3.16Å; S517-T519 VanDerWaalsContact C-N 3.3Å; T519-G521 PolarHBondContact O-N 3.08Å; T519-R523 HydrophobicContact CG2-CB 4.34Å; T519-L524 HydrophobicContact CG2-CD2 3.94Å; T519-L524 HydrophobicContact CG2-CG 3.98Å; T519-G577 CarbonylContact O-C 3.37Å; T519-G577 WeakPolarHBondContact O-CA 3.48Å; T519-L578 PolarHBondContact O-N 2.93Å
520P95.5Very high96.4Very high15 Ų1543.7 Ų43.710%0.09721%0.213CC..EExtended strand (participates in β ladder)trans-60.6133.7173.4-23.134000111.3N518 S522 R523 E575N518-P520 WeakPolarHBondContact O-CD 3.44Å; P520-S522 PolarHBondContact O-N 3.35Å; P520-R523 HydrophobicContact CB-CG 4.31Å; P520-R523 WeakPolarHBondContact O-CB 3.45Å; P520-R523 PolarHBondContact O-N 2.78Å; P520-E575 HydrophobicContact CB-CB 4.21Å; P520-E575 HydrophobicContact CB-CG 4.03Å
521G96.2Very high96.4Very high0 Ų044.7 Ų44.70%022%0.218CC..Hα-helixtrans-64.3-27-176.500000113.9T519 R523 L524 D525 G559T519-G521 PolarHBondContact O-N 3.08Å; G521-R523 PolarHBondContact O-N 3.44Å; G521-R523 VanDerWaalsContact O-N 3.16Å; G521-L524 PolarHBondContact O-N 3.16Å; G521-D525 PolarHBondContact O-N 2.89Å; G521-G559 CarbonylContact C-O 3.4Å; G521-G559 VanDerWaalsContact CA-O 3.27Å; G521-G559 WeakPolarHBondContact CA-O 3.49Å
522S94.3Very high96.4Very high14 Ų1444.5 Ų44.510%0.09822%0.216CC..Hα-helixtrans-57.3-25169.567.90000113.9P520 S561 E575P520-S522 PolarHBondContact O-N 3.35Å; S522-S561 WeakPolarHBondContact CB-O 3.41Å; S522-E575 WeakPolarHBondContact CB-OE2 3.27Å; S522-E575 PolarHBondContact OG-OE2 2.99Å
523R94.8Very high96.4Very high175 Ų17548 Ų4866%0.6623%0.226SC*.Hα-helixtrans-83.7-19.5175.9-60.2-170.4-177.1-178.3-1.1113.2T519 P520 G521 V526T519-R523 HydrophobicContact CG2-CB 4.34Å; P520-R523 HydrophobicContact CB-CG 4.31Å; P520-R523 WeakPolarHBondContact O-CB 3.45Å; P520-R523 PolarHBondContact O-N 2.78Å; G521-R523 PolarHBondContact O-N 3.44Å; G521-R523 VanDerWaalsContact O-N 3.16Å; R523-V526 WeakPolarHBondContact O-CG1 3.5Å
524L97.3Very high96.4Very high7 Ų750.1 Ų50.14%0.03724%0.236CC..Hα-helixtrans-89.5-28.2175-62.7-175.6000112.1L510 Q513 F515 T519 G521 V526 I527 L560 L578 F647L510-L524 HydrophobicContact CD1-CB 3.84Å; Q513-L524 HydrophobicContact CG-CD2 4.28Å; F515-L524 HydrophobicContact CB-CD2 4.19Å; F515-L524 HydrophobicContact CD1-CD1 3.99Å; F515-L524 HydrophobicContact CD2-CD1 4.13Å; F515-L524 HydrophobicContact CE1-CD1 4.06Å; F515-L524 HydrophobicContact CE2-CD1 4.17Å; F515-L524 HydrophobicContact CG-CD1 4.03Å; F515-L524 HydrophobicContact CG-CD2 4.32Å; F515-L524 HydrophobicContact CZ-CD1 4.14Å; T519-L524 HydrophobicContact CG2-CD2 3.94Å; T519-L524 HydrophobicContact CG2-CG 3.98Å; G521-L524 PolarHBondContact O-N 3.16Å; L524-V526 PolarHBondContact O-N 3.35Å; L524-V526 VanDerWaalsContact O-N 3.12Å; L524-I527 HydrophobicContact CD2-CD1 3.84Å; L524-I527 VanDerWaalsContact O-CB 3.29Å; L524-I527 WeakPolarHBondContact O-CB 3.48Å; L524-I527 WeakPolarHBondContact O-CG1 3.42Å; L524-I527 PolarHBondContact O-N 3.3Å; L524-L560 HydrophobicContact CB-CD2 4.08Å; L524-L560 HydrophobicContact CD1-CD2 4.33Å; L524-L578 HydrophobicContact CD1-CD1 3.41Å; L524-L578 VanDerWaalsContact CD1-CD1 3.41Å; L524-F647 HydrophobicContact CD1-CE2 4.42Å; L524-F647 HydrophobicContact CD1-CZ 4.02Å
525D97Very high96.3Very high7 Ų751.3 Ų51.34%0.03724%0.239CC..Hα-helixtrans-48.9-38.6175.6171.992.8000112.9G521 I527 S528 R529 T543 G562G521-D525 PolarHBondContact O-N 2.89Å; D525-I527 PolarHBondContact O-N 2.91Å; D525-S528 PolarHBondContact O-N 3.44Å; D525-R529 VanDerWaalsContact CG-NE 3.35Å; D525-R529 PolarHBondContact O-N 3.45Å; D525-R529 IonicContact OD1-CZ 2.57Å; D525-R529 IonicContact OD1-NE 2.97Å; D525-R529 PolarHBondContact OD1-NE 3.39Å; D525-R529 IonicContact OD1-NH2 3.81Å; D525-R529 PolarHBondContact OD1-NH2 2.98Å; D525-R529 VanDerWaalsContact OD1-NH2 3.14Å; D525-R529 WeakPolarHBondContact OD2-CD 3.41Å; D525-R529 IonicContact OD2-CZ 3.73Å; D525-R529 IonicContact OD2-NE 3.74Å; D525-R529 PolarHBondContact OD2-NE 2.93Å; D525-R529 IonicContact OD2-NH2 3.6Å; D525-T543 VanDerWaalsContact CG-OG1 3.3Å; D525-T543 WeakPolarHBondContact OD1-CB 3.45Å; D525-T543 PolarHBondContact OD1-N 3.35Å; D525-T543 PolarHBondContact OD1-OG1 2.92Å; D525-G562 VanDerWaalsContact CG-N 3.3Å; D525-G562 PolarHBondContact OD2-N 3.1Å
526V96.2Very high96.1Very high66 Ų6660 Ų6040%0.428%0.279SS..Hα-helixtrans-63.5-22.3179.175.40000113.6R523 L524 R530 W533R523-V526 WeakPolarHBondContact O-CG1 3.5Å; L524-V526 PolarHBondContact O-N 3.35Å; L524-V526 VanDerWaalsContact O-N 3.12Å; V526-R530 WeakPolarHBondContact O-CB 3.41Å; V526-R530 PolarHBondContact O-N 2.67Å; V526-W533 HydrophobicContact CG2-CH2 3.99Å; V526-W533 HydrophobicContact CG2-CZ3 3.85Å
527I97.6Very high96Very high36 Ų3658 Ų5819%0.18527%0.267CS..Hα-helixtrans-67.8-49.5-179.3-62.8169.3000109.9A509 L510 Q513 L524 D525A509-I527 HydrophobicContact CB-CG2 4.07Å; L510-I527 HydrophobicContact CD1-CD1 4.4Å; Q513-I527 HydrophobicContact CB-CD1 4.38Å; Q513-I527 HydrophobicContact CG-CD1 3.7Å; L524-I527 HydrophobicContact CD2-CD1 3.84Å; L524-I527 VanDerWaalsContact O-CB 3.29Å; L524-I527 WeakPolarHBondContact O-CB 3.48Å; L524-I527 WeakPolarHBondContact O-CG1 3.42Å; L524-I527 PolarHBondContact O-N 3.3Å; D525-I527 PolarHBondContact O-N 2.91Å
528S98.2Very high95.9Very high0 Ų060.8 Ų60.80%028%0.28CS..Hα-helixtrans-64.1-45.5173.8-61.20000111.1A506 L510 D525 R530 I531 Y539 T543A506-S528 WeakPolarHBondContact CB-O 3.35Å; A506-S528 PolarHBondContact O-OG 2.88Å; L510-S528 WeakPolarHBondContact CB-OG 3.38Å; L510-S528 WeakPolarHBondContact CD2-OG 3.49Å; D525-S528 PolarHBondContact O-N 3.44Å; S528-R530 VanDerWaalsContact C-N 3.33Å; S528-R530 PolarHBondContact O-N 3.45Å; S528-I531 PolarHBondContact O-N 3.36Å; S528-Y539 WeakPolarHBondContact CB-OH 3.47Å; S528-T543 WeakPolarHBondContact OG-CG2 3.37Å
529R97.4Very high95.7Very high26 Ų2656.3 Ų56.310%0.09826%0.255CS..Hα-helixtrans-63.8-36.8-178.8-68.8-170.9-170.3-77.4-13113D525 I531 M532 W533 N538 Y539 H541D525-R529 VanDerWaalsContact CG-NE 3.35Å; D525-R529 PolarHBondContact O-N 3.45Å; D525-R529 IonicContact OD1-CZ 2.57Å; D525-R529 IonicContact OD1-NE 2.97Å; D525-R529 PolarHBondContact OD1-NE 3.39Å; D525-R529 IonicContact OD1-NH2 3.81Å; D525-R529 PolarHBondContact OD1-NH2 2.98Å; D525-R529 VanDerWaalsContact OD1-NH2 3.14Å; D525-R529 WeakPolarHBondContact OD2-CD 3.41Å; D525-R529 IonicContact OD2-CZ 3.73Å; D525-R529 IonicContact OD2-NE 3.74Å; D525-R529 PolarHBondContact OD2-NE 2.93Å; D525-R529 IonicContact OD2-NH2 3.6Å; R529-I531 PolarHBondContact O-N 3.17Å; R529-M532 PolarHBondContact O-N 3.19Å; R529-W533 HydrophobicContact CB-CD2 4.24Å; R529-W533 HydrophobicContact CB-CH2 4.37Å; R529-W533 HydrophobicContact CB-CZ2 3.8Å; R529-W533 HydrophobicContact CG-CZ2 4.47Å; R529-W533 WeakPolarHBondContact O-CB 3.32Å; R529-W533 PolarHBondContact O-N 3.26Å; R529-N538 PolarHBondContact NH1-OD1 3.1Å; R529-Y539 HydrophobicContact CG-CE1 4.08Å; R529-Y539 HydrophobicContact CG-CE2 4.45Å; R529-Y539 WeakPolarHBondContact CG-OH 3.39Å; R529-Y539 VanDerWaalsContact CZ-CE2 3.5Å; R529-Y539 PolarHBondContact NH1-O 2.99Å; R529-H541 PolarHBondContact NH2-O 3.19Å
530R97.2Very high95.2Very high161 Ų16160 Ų6061%0.60829%0.287SS*.Hα-helixtrans-53-43177171.6-175.6172.81690111.3V526 S528 W533 Q534V526-R530 WeakPolarHBondContact O-CB 3.41Å; V526-R530 PolarHBondContact O-N 2.67Å; S528-R530 VanDerWaalsContact C-N 3.33Å; S528-R530 PolarHBondContact O-N 3.45Å; R530-W533 PolarHBondContact O-N 3.33Å; R530-Q534 WeakPolarHBondContact O-CG 3.24Å; R530-Q534 PolarHBondContact O-N 3.44Å
531I98Very high95Very high21 Ų2160.1 Ų60.111%0.10829%0.287CS..Hα-helixtrans-62.7-47.8178.3-57.1-55.1000110.2K505 A506 A509 S528 R529 W533 Q534 F535K505-I531 HydrophobicContact CB-CG2 3.71Å; A506-I531 HydrophobicContact CB-CB 4.01Å; A506-I531 HydrophobicContact CB-CG2 4.23Å; A509-I531 HydrophobicContact CB-CD1 4.2Å; A509-I531 HydrophobicContact CB-CG1 3.76Å; S528-I531 PolarHBondContact O-N 3.36Å; R529-I531 PolarHBondContact O-N 3.17Å; I531-W533 VanDerWaalsContact C-N 3.35Å; I531-W533 PolarHBondContact O-N 3.22Å; I531-Q534 WeakPolarHBondContact O-CB 3.32Å; I531-Q534 PolarHBondContact O-N 3.33Å; I531-F535 VanDerWaalsContact O-CD2 3.28Å; I531-F535 WeakPolarHBondContact O-CD2 3.31Å
532M97.5Very high94.8Very high4 Ų461 Ų612%0.0230%0.295CS..Hα-helixtrans-62.8-40.3178.1-61.7-51.6-60.500112.5V503 A506 R529 Q534 F535 H536 G537 Y539 Y590V503-M532 HydrophobicContact CG2-CE 4.05Å; V503-M532 HydrophobicContact CG2-SD 4.22Å; A506-M532 HydrophobicContact CB-CG 4.03Å; A506-M532 HydrophobicContact CB-SD 3.97Å; R529-M532 PolarHBondContact O-N 3.19Å; M532-Q534 VanDerWaalsContact C-N 3.28Å; M532-Q534 PolarHBondContact O-N 3.19Å; M532-F535 CarbonylContact O-C 3.59Å; M532-F535 PolarHBondContact O-N 2.95Å; M532-H536 PolarHBondContact O-N 3.02Å; M532-G537 CarbonylContact C-O 3.54Å; M532-G537 VanDerWaalsContact C-O 3.26Å; M532-G537 WeakPolarHBondContact CB-O 3.49Å; M532-G537 PolarHBondContact O-N 3.2Å; M532-Y539 HydrophobicContact CG-CD1 4.25Å; M532-Y539 HydrophobicContact CG-CE1 3.96Å; M532-Y590 HydrophobicContact CE-CD2 3.96Å; M532-Y590 HydrophobicContact CE-CG 4.17Å
533W97.6Very high94.9Very high126 Ų12660.3 Ų60.348%0.47729%0.29SS..Hα-helixtrans-64.4-28.4-179.7-65.5-12.8000113.5V526 R529 R530 I531 F535 H536 G537V526-W533 HydrophobicContact CG2-CH2 3.99Å; V526-W533 HydrophobicContact CG2-CZ3 3.85Å; R529-W533 HydrophobicContact CB-CD2 4.24Å; R529-W533 HydrophobicContact CB-CH2 4.37Å; R529-W533 HydrophobicContact CB-CZ2 3.8Å; R529-W533 HydrophobicContact CG-CZ2 4.47Å; R529-W533 WeakPolarHBondContact O-CB 3.32Å; R529-W533 PolarHBondContact O-N 3.26Å; R530-W533 PolarHBondContact O-N 3.33Å; I531-W533 VanDerWaalsContact C-N 3.35Å; I531-W533 PolarHBondContact O-N 3.22Å; W533-F535 PolarHBondContact O-N 3.36Å; W533-F535 VanDerWaalsContact O-N 3.15Å; W533-H536 PolarHBondContact O-N 3.47Å; W533-G537 VanDerWaalsContact CD1-O 3.32Å; W533-G537 PolarHBondContact N-O 3.44Å
534Q96.4Very high95.1Very high111 Ų11152.2 Ų52.252%0.51926%0.261SS..THydrogen-bonded Turntrans-59.4-23.9173.1-72.8175.4-15.100112.6R530 I531 M532R530-Q534 WeakPolarHBondContact O-CG 3.24Å; R530-Q534 PolarHBondContact O-N 3.44Å; I531-Q534 WeakPolarHBondContact O-CB 3.32Å; I531-Q534 PolarHBondContact O-N 3.33Å; M532-Q534 VanDerWaalsContact C-N 3.28Å; M532-Q534 PolarHBondContact O-N 3.19Å
535F93Very high95Very high104 Ų10452.8 Ų52.846%0.45626%0.264SS..THydrogen-bonded Turntrans-107.115.7176.9-54.8-77.6000112.4S502 I531 M532 W533 G537 M664S502-F535 WeakPolarHBondContact OG-CE2 3.47Å; I531-F535 VanDerWaalsContact O-CD2 3.28Å; I531-F535 WeakPolarHBondContact O-CD2 3.31Å; M532-F535 CarbonylContact O-C 3.59Å; M532-F535 PolarHBondContact O-N 2.95Å; W533-F535 PolarHBondContact O-N 3.36Å; W533-F535 VanDerWaalsContact O-N 3.15Å; F535-G537 PolarHBondContact O-N 2.81Å; F535-G537 VanDerWaalsContact O-N 3.09Å; F535-M664 HydrophobicContact CZ-CE 4.3Å
536H92.7Very high95.1Very high187 Ų18752.4 Ų52.487%0.86626%0.262SS*.THydrogen-bonded Turntrans54.522.8-172.3-49.4134.8000113.9M532 W533M532-H536 PolarHBondContact O-N 3.02Å; W533-H536 PolarHBondContact O-N 3.47Å
537G91.5Very high95.2Very high7 Ų749.3 Ų49.37%0.07224%0.243CC..  trans-91.7155.1174.500000111.7M532 W533 F535M532-G537 CarbonylContact C-O 3.54Å; M532-G537 VanDerWaalsContact C-O 3.26Å; M532-G537 WeakPolarHBondContact CB-O 3.49Å; M532-G537 PolarHBondContact O-N 3.2Å; W533-G537 VanDerWaalsContact CD1-O 3.32Å; W533-G537 PolarHBondContact N-O 3.44Å; F535-G537 PolarHBondContact O-N 2.81Å; F535-G537 VanDerWaalsContact O-N 3.09Å
538N92.4Very high95.2Very high90 Ų9047.6 Ų47.648%0.48124%0.235SC..  trans-153170172.5-161.814.6000109.7R529R529-N538 PolarHBondContact NH1-OD1 3.1Å
539Y92.6Very high95.2Very high7 Ų747.6 Ų47.63%0.02724%0.235CC..  trans-134.7143.5173.147.4-85.5000110.8S528 R529 M532 H541 T543 P588 G589S528-Y539 WeakPolarHBondContact CB-OH 3.47Å; R529-Y539 HydrophobicContact CG-CE1 4.08Å; R529-Y539 HydrophobicContact CG-CE2 4.45Å; R529-Y539 WeakPolarHBondContact CG-OH 3.39Å; R529-Y539 VanDerWaalsContact CZ-CE2 3.5Å; R529-Y539 PolarHBondContact NH1-O 2.99Å; M532-Y539 HydrophobicContact CG-CD1 4.25Å; M532-Y539 HydrophobicContact CG-CE1 3.96Å; Y539-H541 AromaticContact CD2-CE1 3.7Å; Y539-H541 AromaticContact CD2-ND1 3.87Å; Y539-H541 WeakPolarHBondContact CD2-O 3.47Å; Y539-T543 PolarHBondContact OH-OG1 3.39Å; Y539-P588 HydrophobicContact CE1-CB 4.13Å; Y539-G589 WeakPolarHBondContact CB-O 3.22Å; Y539-G589 WeakPolarHBondContact CD1-O 3.45Å
540A86.9Confident95.2Very high95 Ų9546.4 Ų46.479%0.78523%0.23SC*.SBendtrans-92.78-170.400000114.7I450I450-A540 HydrophobicContact CD1-CB 3.87Å
541H89.7Confident95.2Very high19 Ų1938.7 Ų38.79%0.08820%0.201CC..SBendtrans-111.1175.41725682.5000110.9R529 Y539 E587 Y591R529-H541 PolarHBondContact NH2-O 3.19Å; Y539-H541 AromaticContact CD2-CE1 3.7Å; Y539-H541 AromaticContact CD2-ND1 3.87Å; Y539-H541 WeakPolarHBondContact CD2-O 3.47Å; H541-E587 PolarHBondContact CE1-O 3.15Å; H541-E587 IonicContact ND1-OE2 3.36Å; H541-Y591 AromaticContact CD2-CE2 3.74Å; H541-Y591 AromaticContact CD2-CZ 3.92Å; H541-Y591 PolarHBondContact CD2-OH 2.68Å; H541-Y591 AromaticContact NE2-CE2 3.25Å; H541-Y591 WeakPolarHBondContact NE2-CE2 3.27Å; H541-Y591 AromaticContact NE2-CZ 3.41Å; H541-Y591 PolarHBondContact NE2-OH 2.99Å
542G91.7Very high95.2Very high17 Ų1738.3 Ų38.318%0.17520%0.199CC..  trans-64.1158.7172.300000111.8
543T97.7Very high95.2Very high0 Ų038.1 Ų38.10%020%0.198CC..SBendtrans-74-16.7168.4-52.80000111.6L510 D525 S528 Y539 L560 I586 E587L510-T543 HydrophobicContact CD2-CG2 3.54Å; D525-T543 VanDerWaalsContact CG-OG1 3.3Å; D525-T543 WeakPolarHBondContact OD1-CB 3.45Å; D525-T543 PolarHBondContact OD1-N 3.35Å; D525-T543 PolarHBondContact OD1-OG1 2.92Å; S528-T543 WeakPolarHBondContact OG-CG2 3.37Å; Y539-T543 PolarHBondContact OH-OG1 3.39Å; T543-L560 CarbonylContact C-O 3.59Å; T543-L560 VanDerWaalsContact CA-O 3.32Å; T543-L560 WeakPolarHBondContact CA-O 3.47Å; T543-L560 WeakPolarHBondContact CB-O 3.28Å; T543-L560 PolarHBondContact N-O 3.43Å; T543-I586 CarbonylContact O-C 3.58Å; T543-I586 WeakPolarHBondContact O-CA 3.31Å; T543-E587 VanDerWaalsContact O-CG 3.24Å; T543-E587 WeakPolarHBondContact O-CG 3.47Å; T543-E587 PolarHBondContact O-N 3.05Å
544G97.6Very high95.2Very high5 Ų535.9 Ų35.95%0.05219%0.193CC..EExtended strand (participates in β ladder)trans170.7176.8173.200000113.1L560 T585G544-L560 PolarHBondContact N-O 2.96Å; G544-L560 VanDerWaalsContact N-O 3.13Å; G544-L560 CarbonylContact O-C 3.53Å; G544-L560 WeakPolarHBondContact O-CA 3.49Å; G544-L560 PolarHBondContact O-N 3.01Å; G544-T585 WeakPolarHBondContact CA-O 3.34Å; G544-T585 WeakPolarHBondContact CA-OG1 3.46Å
545H97.2Very high95.1Very high19 Ų1930.9 Ų30.99%0.08817%0.169CC..EExtended strand (participates in β ladder)trans-142.2169.5-17854.187.5000110.7D482 V553 H554 V584 T585 E587D482-H545 IonicContact OD2-CE1 2.72Å; D482-H545 PolarHBondContact OD2-CE1 3.1Å; D482-H545 IonicContact OD2-NE2 3.97Å; D482-H545 PolarHBondContact OD2-NE2 2.86Å; H545-V553 PolarHBondContact CE1-O 3.26Å; H545-V553 PolarHBondContact ND1-O 3.11Å; H545-V553 VanDerWaalsContact ND1-O 3.08Å; H545-H554 AromaticContact CD2-CD2 3.33Å; H545-H554 PolarHBondContact CD2-CD2 3.27Å; H545-H554 AromaticContact CD2-NE2 3.67Å; H545-H554 AromaticContact CE1-CD2 3.69Å; H545-H554 AromaticContact CG-CD2 3.38Å; H545-H554 AromaticContact ND1-CD2 3.61Å; H545-H554 AromaticContact NE2-CD2 3.55Å; H545-H554 AromaticContact NE2-NE2 3.61Å; H545-V584 CarbonylContact O-C 3.56Å; H545-V584 WeakPolarHBondContact O-CA 3.33Å; H545-V584 WeakPolarHBondContact O-CB 3.16Å; H545-T585 PolarHBondContact CD2-OG1 3.37Å; H545-T585 VanDerWaalsContact CD2-OG1 3.25Å; H545-T585 PolarHBondContact N-OG1 3.23Å; H545-T585 PolarHBondContact NE2-OG1 3.18Å; H545-T585 PolarHBondContact O-N 3.48Å; H545-E587 IonicContact CD2-OE1 2.97Å; H545-E587 PolarHBondContact CD2-OE1 2.76Å; H545-E587 IonicContact NE2-OE1 2.65Å
546G98Very high95.1Very high0 Ų027.5 Ų27.50%016%0.164CC..EExtended strand (participates in β ladder)trans-71.4154.9167.600000111.5E555 V583G546-E555 VanDerWaalsContact CA-O 3.3Å; G546-E555 WeakPolarHBondContact CA-O 3.29Å; G546-E555 PolarHBondContact N-O 3.45Å; G546-E555 PolarHBondContact O-N 3.05Å; G546-V583 CarbonylContact C-O 3.56Å; G546-V583 WeakPolarHBondContact CA-O 3.38Å
547V98.4Very high95.1Very high1 Ų119.2 Ų19.21%0.00613%0.127CC..  trans-123.4128.9178-1750000110.7K346 T480 V583 T585 V603K346-V547 WeakPolarHBondContact CE-O 3.46Å; T480-V547 HydrophobicContact CG2-CG1 4.34Å; V547-V583 HydrophobicContact CB-CG1 4.05Å; V547-V583 PolarHBondContact N-O 2.94Å; V547-T585 HydrophobicContact CG2-CG2 3.69Å; V547-V603 HydrophobicContact CG2-CG2 4.25Å
548G97.8Very high95.2Very high0 Ų019 Ų190%012%0.124CC..  trans-69.6159.817800000113.8T480 N552T480-G548 WeakPolarHBondContact CB-O 3.34Å; T480-G548 PolarHBondContact OG1-O 2.92Å; G548-N552 VanDerWaalsContact CA-O 3.28Å; G548-N552 WeakPolarHBondContact CA-O 3.44Å; G548-N552 PolarHBondContact N-O 3.46Å
549A97.4Very high95.2Very high0 Ų014.8 Ų14.80%010%0.102CC..SBendtrans-101.193.1174.100000108.9F196 R235 K346 E350 I354 L551F196-A549 HydrophobicContact CZ-CB 3.95Å; R235-A549 PolarHBondContact NH2-O 2.84Å; K346-A549 HydrophobicContact CD-CB 4.32Å; E350-A549 HydrophobicContact CB-CB 4.3Å; E350-A549 HydrophobicContact CG-CB 4.15Å; I354-A549 HydrophobicContact CD1-CB 3.94Å; I354-A549 HydrophobicContact CG1-CB 4.43Å; A549-L551 VanDerWaalsContact C-N 3.31Å
550F97.8Very high95.4Very high0 Ų014.5 Ų14.50%010%0.1CC..SBendtrans53.551.1-166.4-174.7-147.6000110L190 I192 F196 R235 P243 F433 Q475 Y476 M477 T480L190-F550 HydrophobicContact CD1-CZ 4.42Å; I192-F550 HydrophobicContact CD1-CD1 3.81Å; I192-F550 HydrophobicContact CD1-CE1 3.78Å; F196-F550 HydrophobicContact CE1-CB 4.37Å; R235-F550 HydrophobicContact CB-CE1 3.93Å; R235-F550 HydrophobicContact CB-CZ 4.31Å; R235-F550 VanDerWaalsContact CD-O 3.3Å; R235-F550 WeakPolarHBondContact CD-O 3.36Å; R235-F550 HydrophobicContact CG-CD1 3.73Å; R235-F550 HydrophobicContact CG-CE1 3.6Å; R235-F550 HydrophobicContact CG-CZ 4.33Å; R235-F550 PolarHBondContact NE-O 3.46Å; P243-F550 HydrophobicContact CB-CD2 3.81Å; P243-F550 HydrophobicContact CB-CE2 3.41Å; P243-F550 VanDerWaalsContact CB-CE2 3.41Å; P243-F550 HydrophobicContact CB-CZ 3.86Å; P243-F550 VanDerWaalsContact CG-C 3.41Å; P243-F550 HydrophobicContact CG-CD2 3.65Å; P243-F550 HydrophobicContact CG-CE2 3.8Å; P243-F550 HydrophobicContact CG-CG 4.33Å; P243-F550 WeakPolarHBondContact CG-O 3.46Å; F433-F550 HydrophobicContact CB-CE2 3.74Å; F433-F550 HydrophobicContact CB-CZ 4.12Å; F433-F550 AromaticContact CD1-CE2 3.64Å; F433-F550 HydrophobicContact CD1-CE2 3.64Å; F433-F550 HydrophobicContact CD1-CZ 4.03Å; F433-F550 HydrophobicContact CD2-CE2 4.24Å; F433-F550 AromaticContact CD2-CZ 3.88Å; F433-F550 HydrophobicContact CD2-CZ 3.88Å; F433-F550 HydrophobicContact CE1-CE2 4.23Å; F433-F550 HydrophobicContact CE1-CZ 4.35Å; F433-F550 HydrophobicContact CE2-CZ 4.24Å; F433-F550 AromaticContact CG-CE2 3.61Å; F433-F550 HydrophobicContact CG-CE2 3.61Å; F433-F550 AromaticContact CG-CZ 3.74Å; F433-F550 HydrophobicContact CG-CZ 3.74Å; F433-F550 HydrophobicContact CZ-CZ 4.41Å; Q475-F550 HydrophobicContact CB-CD2 4.31Å; Q475-F550 HydrophobicContact CB-CE2 4.29Å; Y476-F550 VanDerWaalsContact O-CB 3.22Å; Y476-F550 WeakPolarHBondContact O-CB 3.42Å; Y476-F550 WeakPolarHBondContact O-CD2 3.11Å; Y476-F550 WeakPolarHBondContact O-CG 3.2Å; M477-F550 HydrophobicContact SD-CD1 4.34Å; M477-F550 HydrophobicContact SD-CE1 3.45Å; M477-F550 WeakPolarHBondContact SD-CE1 3.3Å; M477-F550 HydrophobicContact SD-CZ 3.73Å; T480-F550 WeakPolarHBondContact OG1-CA 3.4Å; T480-F550 PolarHBondContact OG1-N 3.38Å
551L97.4Very high95.6Very high0 Ų010.7 Ų10.70%07%0.068CC..SBendtrans-146.7-152.9-174-82.4172.7000108.8D226 A229 W230 Q475 T480 A549D226-L551 HydrophobicContact CB-CD2 4.11Å; A229-L551 HydrophobicContact CB-CD2 4.06Å; W230-L551 HydrophobicContact CB-CD1 3.81Å; W230-L551 HydrophobicContact CG-CD1 4.12Å; Q475-L551 PolarHBondContact NE2-O 3.23Å; Q475-L551 PolarHBondContact OE1-O 2.94Å; T480-L551 PolarHBondContact OG1-N 3.37Å; T480-L551 VanDerWaalsContact OG1-N 3.09Å; T480-L551 PolarHBondContact OG1-O 2.87Å; A549-L551 VanDerWaalsContact C-N 3.31Å
552N97.8Very high95.4Very high12 Ų1211 Ų116%0.0648%0.076CC..  trans-61.2138.7177.2-61.7-8.3000111.1D226 N242 G548 H554D226-N552 VanDerWaalsContact CG-ND2 3.27Å; D226-N552 PolarHBondContact OD2-ND2 3.16Å; N242-N552 PolarHBondContact ND2-OD1 2.94Å; G548-N552 VanDerWaalsContact CA-O 3.28Å; G548-N552 WeakPolarHBondContact CA-O 3.44Å; G548-N552 PolarHBondContact N-O 3.46Å; N552-H554 VanDerWaalsContact C-N 3.32Å; N552-H554 WeakPolarHBondContact CB-O 3.48Å
553V98.1Very high94.8Very high1 Ų114 Ų141%0.00610%0.095CC..SBendtrans-67.4-38.717166.40000110.2E36 S436 F437 T480 D482 H545E36-V553 WeakPolarHBondContact OE1-CG1 3.44Å; S436-V553 WeakPolarHBondContact O-CG1 3.41Å; F437-V553 HydrophobicContact CD1-CB 4.48Å; F437-V553 HydrophobicContact CD1-CG1 4.2Å; F437-V553 HydrophobicContact CD1-CG2 3.99Å; F437-V553 HydrophobicContact CE1-CG2 4.09Å; T480-V553 HydrophobicContact CG2-CB 3.91Å; T480-V553 HydrophobicContact CG2-CG2 4.16Å; D482-V553 HydrophobicContact CB-CG2 3.98Å; D482-V553 VanDerWaalsContact OD2-CG2 3.24Å; D482-V553 WeakPolarHBondContact OD2-CG2 3.41Å; H545-V553 PolarHBondContact CE1-O 3.26Å; H545-V553 PolarHBondContact ND1-O 3.11Å; H545-V553 VanDerWaalsContact ND1-O 3.08Å
554H96.3Very high94Very high79 Ų7916.3 Ų16.337%0.36610%0.104SC..SBendtrans-96.198.9167.9-60.496.3000111E36 H545 N552E36-H554 VanDerWaalsContact CD-ND1 3.27Å; E36-H554 IonicContact OE1-CE1 3.53Å; E36-H554 PolarHBondContact OE1-CE1 3.02Å; E36-H554 IonicContact OE1-CG 3.67Å; E36-H554 IonicContact OE1-ND1 2.76Å; E36-H554 PolarHBondContact OE1-ND1 3.38Å; E36-H554 PolarHBondContact OE2-N 2.97Å; E36-H554 IonicContact OE2-ND1 2.75Å; H545-H554 AromaticContact CD2-CD2 3.33Å; H545-H554 PolarHBondContact CD2-CD2 3.27Å; H545-H554 AromaticContact CD2-NE2 3.67Å; H545-H554 AromaticContact CE1-CD2 3.69Å; H545-H554 AromaticContact CG-CD2 3.38Å; H545-H554 AromaticContact ND1-CD2 3.61Å; H545-H554 AromaticContact NE2-CD2 3.55Å; H545-H554 AromaticContact NE2-NE2 3.61Å; N552-H554 VanDerWaalsContact C-N 3.32Å; N552-H554 WeakPolarHBondContact CB-O 3.48Å
555E95.5Very high93.2Very high5 Ų520 Ų202%0.02312%0.121CC..EExtended strand (participates in β ladder)trans-104.9122179.5178.9169-10000112.9K343 K346 G546K343-E555 VanDerWaalsContact NZ-CD 3.34Å; K343-E555 VanDerWaalsContact NZ-CG 3.3Å; K343-E555 IonicContact NZ-OE1 3.8Å; K343-E555 PolarHBondContact NZ-OE1 2.94Å; K346-E555 IonicContact NZ-OE1 3.72Å; K346-E555 IonicContact NZ-OE2 2.79Å; K346-E555 PolarHBondContact NZ-OE2 2.83Å; G546-E555 VanDerWaalsContact CA-O 3.3Å; G546-E555 WeakPolarHBondContact CA-O 3.29Å; G546-E555 PolarHBondContact N-O 3.45Å; G546-E555 PolarHBondContact O-N 3.05Å
556G92.2Very high92.3Very high33 Ų3323.6 Ų23.634%0.3414%0.141SC..EExtended strand (participates in β ladder)trans-83.5169.8165.600000113.4
557P92.3Very high91.2Very high14 Ų1425.2 Ų25.29%0.09115%0.154CC..EExtended strand (participates in β ladder)cis-95.618.38.140.3-37.2000112.1I336 A340 R564 Y568 P576I336-P557 HydrophobicContact CG2-CB 3.84Å; I336-P557 HydrophobicContact CG2-CG 3.88Å; A340-P557 WeakPolarHBondContact O-CD 3.47Å; P557-R564 PolarHBondContact O-NH2 3.17Å; P557-Y568 PolarHBondContact O-OH 3.12Å; P557-Y568 VanDerWaalsContact O-OH 3.1Å; P557-P576 HydrophobicContact CB-CG 4.14Å; P557-P576 HydrophobicContact CG-CG 4.17Å
558I93.4Very high90.3Very high3 Ų326.3 Ų26.32%0.01516%0.158CC..EExtended strand (participates in β ladder)trans-100.7161.5-179.3-157.560.4000111.7R564 P576 L578 M582 V584I558-R564 PolarHBondContact O-NH1 3.22Å; I558-P576 WeakPolarHBondContact CD1-O 3.27Å; I558-L578 HydrophobicContact CD1-CD2 3.91Å; I558-L578 HydrophobicContact CD1-CG 4.01Å; I558-L578 HydrophobicContact CG1-CD2 3.5Å; I558-L578 HydrophobicContact CG1-CG 4.18Å; I558-M582 HydrophobicContact CB-SD 4.3Å; I558-M582 HydrophobicContact CD1-SD 4.15Å; I558-M582 HydrophobicContact CG1-SD 3.8Å; I558-V584 HydrophobicContact CG2-CG1 4.09Å
559G93.8Very high89.5Confident1 Ų130.9 Ų30.91%0.0119%0.187CC..EExtended strand (participates in β ladder)trans169.7165.417300000112.3G521G521-G559 CarbonylContact C-O 3.4Å; G521-G559 VanDerWaalsContact CA-O 3.27Å; G521-G559 WeakPolarHBondContact CA-O 3.49Å
560L95.8Very high88.3Confident0 Ų039.2 Ų39.20%022%0.218CC..EExtended strand (participates in β ladder)trans-111.967.5-178.3-60.6170.8000109L510 L524 T543 G544 L578 V584 T585 I586L510-L560 HydrophobicContact CD2-CD1 4.02Å; L524-L560 HydrophobicContact CB-CD2 4.08Å; L524-L560 HydrophobicContact CD1-CD2 4.33Å; T543-L560 CarbonylContact C-O 3.59Å; T543-L560 VanDerWaalsContact CA-O 3.32Å; T543-L560 WeakPolarHBondContact CA-O 3.47Å; T543-L560 WeakPolarHBondContact CB-O 3.28Å; T543-L560 PolarHBondContact N-O 3.43Å; G544-L560 PolarHBondContact N-O 2.96Å; G544-L560 VanDerWaalsContact N-O 3.13Å; G544-L560 CarbonylContact O-C 3.53Å; G544-L560 WeakPolarHBondContact O-CA 3.49Å; G544-L560 PolarHBondContact O-N 3.01Å; L560-L578 HydrophobicContact CD2-CD1 3.92Å; L560-V584 HydrophobicContact CD1-CG2 4.22Å; L560-T585 WeakPolarHBondContact CD1-O 3.39Å; L560-I586 HydrophobicContact CD1-CG1 4.21Å
561S92.3Very high87Confident15 Ų1542.2 Ų42.211%0.10523%0.233CC..  trans-139.4124.6178.61770000111.3S522 S563 R564S522-S561 WeakPolarHBondContact CB-O 3.41Å; S561-S563 PolarHBondContact O-N 3.13Å; S561-S563 PolarHBondContact OG-OG 3.03Å; S561-R564 WeakPolarHBondContact O-CB 3.36Å; S561-R564 WeakPolarHBondContact O-CD 3.49Å; S561-R564 VanDerWaalsContact O-CG 3.31Å; S561-R564 WeakPolarHBondContact O-CG 3.37Å; S561-R564 PolarHBondContact O-N 2.97Å
562G83.9Confident86.2Confident25 Ų2545.6 Ų45.626%0.25827%0.268SS..THydrogen-bonded Turntrans-59.2-28.2177.600000113.5D525 R564 I565D525-G562 VanDerWaalsContact CG-N 3.3Å; D525-G562 PolarHBondContact OD2-N 3.1Å; G562-R564 PolarHBondContact O-N 3.07Å; G562-R564 VanDerWaalsContact O-N 3.16Å; G562-I565 WeakPolarHBondContact O-CG2 3.48Å; G562-I565 PolarHBondContact O-N 3.39Å
563S79.5Confident85.4Confident81 Ų8146.9 Ų46.957%0.56628%0.275SS*.THydrogen-bonded Turntrans-62.1-23.7179.568.10000113.9S561 I565 N566S561-S563 PolarHBondContact O-N 3.13Å; S561-S563 PolarHBondContact OG-OG 3.03Å; S563-I565 VanDerWaalsContact C-N 3.29Å; S563-I565 PolarHBondContact O-N 2.91Å; S563-N566 PolarHBondContact O-N 3.24Å
564R82.2Confident84.9Confident49 Ų4953 Ų5319%0.18531%0.312CS..Hα-helixtrans-65.3-31.4-177.4-62.716858.786.510.1112.3P557 I558 S561 G562 N566 A567 Y568 E575P557-R564 PolarHBondContact O-NH2 3.17Å; I558-R564 PolarHBondContact O-NH1 3.22Å; S561-R564 WeakPolarHBondContact O-CB 3.36Å; S561-R564 WeakPolarHBondContact O-CD 3.49Å; S561-R564 VanDerWaalsContact O-CG 3.31Å; S561-R564 WeakPolarHBondContact O-CG 3.37Å; S561-R564 PolarHBondContact O-N 2.97Å; G562-R564 PolarHBondContact O-N 3.07Å; G562-R564 VanDerWaalsContact O-N 3.16Å; R564-N566 PolarHBondContact O-N 3.08Å; R564-A567 WeakPolarHBondContact O-CB 3.47Å; R564-A567 PolarHBondContact O-N 2.83Å; R564-Y568 HydrophobicContact CB-CD2 4.29Å; R564-Y568 HydrophobicContact CB-CE2 4.27Å; R564-Y568 PolarHBondContact NH2-OH 3.28Å; R564-Y568 VanDerWaalsContact NH2-OH 3.15Å; R564-Y568 VanDerWaalsContact O-CD2 3.23Å; R564-Y568 WeakPolarHBondContact O-CD2 3.47Å; R564-Y568 PolarHBondContact O-N 3.08Å; R564-Y568 VanDerWaalsContact O-N 3.1Å; R564-E575 IonicContact CZ-OE1 3.71Å; R564-E575 IonicContact NE-OE1 3.98Å; R564-E575 PolarHBondContact NE-OE1 2.85Å; R564-E575 IonicContact NH2-OE1 3.03Å
565I80.5Confident84.7Confident82 Ų8249.9 Ų49.942%0.42130%0.297SS..Hα-helixtrans-56.8-38.6-179.2-160.9169.4000111.8G562 S563 T569G562-I565 WeakPolarHBondContact O-CG2 3.48Å; G562-I565 PolarHBondContact O-N 3.39Å; S563-I565 VanDerWaalsContact C-N 3.29Å; S563-I565 PolarHBondContact O-N 2.91Å; I565-T569 VanDerWaalsContact O-CB 3.23Å; I565-T569 WeakPolarHBondContact O-CB 3.42Å; I565-T569 PolarHBondContact O-N 3Å; I565-T569 PolarHBondContact O-OG1 2.82Å
566N76.9Confident84.5Confident94 Ų9450.9 Ų50.950%0.50330%0.304SS..Hα-helixtrans-71.4-35.9-179.3-69.6-25.8000111.3S563 R564 R570S563-N566 PolarHBondContact O-N 3.24Å; R564-N566 PolarHBondContact O-N 3.08Å; N566-R570 WeakPolarHBondContact O-CB 3.43Å; N566-R570 VanDerWaalsContact O-CG 3.27Å; N566-R570 WeakPolarHBondContact O-CG 3.38Å; N566-R570 PolarHBondContact O-N 3.28Å; N566-R570 VanDerWaalsContact O-N 3.09Å; N566-R570 PolarHBondContact O-NE 2.57Å
567A75.3Confident84.7Confident34 Ų3449.7 Ų49.728%0.28129%0.292SS..Hα-helixtrans-64.1-51.8176.300000110.9R564 R570 M571R564-A567 WeakPolarHBondContact O-CB 3.47Å; R564-A567 PolarHBondContact O-N 2.83Å; A567-R570 PolarHBondContact O-N 2.84Å; A567-M571 WeakPolarHBondContact O-CE 3.47Å; A567-M571 WeakPolarHBondContact O-CG 3.4Å; A567-M571 PolarHBondContact O-N 2.91Å
568Y80Confident85Confident24 Ų2449 Ų499%0.09429%0.287CS..Hα-helixtrans-62.8-44.3178.8-74.9-69.6000112.8I336 P557 R564 R570 M571 G572 I573 E575I336-Y568 HydrophobicContact CD1-CE1 4.04Å; P557-Y568 PolarHBondContact O-OH 3.12Å; P557-Y568 VanDerWaalsContact O-OH 3.1Å; R564-Y568 HydrophobicContact CB-CD2 4.29Å; R564-Y568 HydrophobicContact CB-CE2 4.27Å; R564-Y568 PolarHBondContact NH2-OH 3.28Å; R564-Y568 VanDerWaalsContact NH2-OH 3.15Å; R564-Y568 VanDerWaalsContact O-CD2 3.23Å; R564-Y568 WeakPolarHBondContact O-CD2 3.47Å; R564-Y568 PolarHBondContact O-N 3.08Å; R564-Y568 VanDerWaalsContact O-N 3.1Å; Y568-R570 PolarHBondContact O-N 2.65Å; Y568-M571 HydrophobicContact CD1-CE 4.13Å; Y568-M571 HydrophobicContact CE1-CE 4.49Å; Y568-M571 CarbonylContact O-C 3.41Å; Y568-M571 PolarHBondContact O-N 2.84Å; Y568-G572 PolarHBondContact O-N 3.47Å; Y568-G572 VanDerWaalsContact O-N 3.15Å; Y568-I573 CarbonylContact C-O 3.09Å; Y568-I573 HydrophobicContact CD1-CD1 3.29Å; Y568-I573 HydrophobicContact CD1-CG1 3.72Å; Y568-I573 HydrophobicContact CE1-CD1 3.58Å; Y568-I573 HydrophobicContact CE1-CG1 4.48Å; Y568-I573 PolarHBondContact O-N 3.38Å; Y568-E575 HydrophobicContact CD2-CB 3.59Å; Y568-E575 HydrophobicContact CD2-CG 3.65Å; Y568-E575 HydrophobicContact CE2-CB 4.05Å; Y568-E575 HydrophobicContact CE2-CG 3.64Å; Y568-E575 HydrophobicContact CG-CB 3.88Å; Y568-E575 HydrophobicContact CG-CG 4.39Å
569T80.1Confident85.2Confident97 Ų9752.2 Ų52.260%0.59530%0.302SS*.Hα-helixtrans-61.2-42.9178.6-59.60000112.2I565 M571 G572I565-T569 VanDerWaalsContact O-CB 3.23Å; I565-T569 WeakPolarHBondContact O-CB 3.42Å; I565-T569 PolarHBondContact O-N 3Å; I565-T569 PolarHBondContact O-OG1 2.82Å; T569-M571 PolarHBondContact O-N 3.38Å; T569-G572 PolarHBondContact O-N 2.87Å
570R72.2Confident85.3Confident175 Ų17555 Ų5566%0.6632%0.315SS*.Hα-helixtrans-60.8-26.8175.9-78.8-172.5-60-100.23113.1N566 A567 Y568N566-R570 WeakPolarHBondContact O-CB 3.43Å; N566-R570 VanDerWaalsContact O-CG 3.27Å; N566-R570 WeakPolarHBondContact O-CG 3.38Å; N566-R570 PolarHBondContact O-N 3.28Å; N566-R570 VanDerWaalsContact O-N 3.09Å; N566-R570 PolarHBondContact O-NE 2.57Å; A567-R570 PolarHBondContact O-N 2.84Å; Y568-R570 PolarHBondContact O-N 2.65Å
571M71.7Confident85.5Confident62 Ų6256.5 Ų56.531%0.30532%0.323SS..THydrogen-bonded Turntrans-91.9-3.6179-62.4-175.8-63.900113.1L317 A567 Y568 T569 I573L317-M571 HydrophobicContact CB-CE 4.36Å; L317-M571 HydrophobicContact CB-SD 3.61Å; L317-M571 HydrophobicContact CD1-CE 3.57Å; L317-M571 HydrophobicContact CD1-SD 3.68Å; L317-M571 HydrophobicContact CD2-SD 4.11Å; L317-M571 HydrophobicContact CG-CE 4.49Å; L317-M571 HydrophobicContact CG-SD 4Å; A567-M571 WeakPolarHBondContact O-CE 3.47Å; A567-M571 WeakPolarHBondContact O-CG 3.4Å; A567-M571 PolarHBondContact O-N 2.91Å; Y568-M571 HydrophobicContact CD1-CE 4.13Å; Y568-M571 HydrophobicContact CE1-CE 4.49Å; Y568-M571 CarbonylContact O-C 3.41Å; Y568-M571 PolarHBondContact O-N 2.84Å; T569-M571 PolarHBondContact O-N 3.38Å; M571-I573 HydrophobicContact CB-CG1 4.01Å; M571-I573 HydrophobicContact CE-CD1 4.48Å; M571-I573 HydrophobicContact CE-CG1 4.42Å; M571-I573 PolarHBondContact O-N 2.92Å
572G79.8Confident85.8Confident72 Ų7256 Ų5674%0.74232%0.319SS*.THydrogen-bonded Turntrans66.924.8-178.800000113.8Y568 T569Y568-G572 PolarHBondContact O-N 3.47Å; Y568-G572 VanDerWaalsContact O-N 3.15Å; T569-G572 PolarHBondContact O-N 2.87Å
573I82.5Confident86.5Confident39 Ų3954.9 Ų54.920%0.231%0.307CS..  trans-120155.7178.762139.9000111.8L317 I336 Y568 M571L317-I573 HydrophobicContact CD1-CD1 3.19Å; L317-I573 HydrophobicContact CD1-CG1 3.86Å; I336-I573 HydrophobicContact CD1-CD1 4.01Å; I336-I573 HydrophobicContact CG1-CD1 3.89Å; Y568-I573 CarbonylContact C-O 3.09Å; Y568-I573 HydrophobicContact CD1-CD1 3.29Å; Y568-I573 HydrophobicContact CD1-CG1 3.72Å; Y568-I573 HydrophobicContact CE1-CD1 3.58Å; Y568-I573 HydrophobicContact CE1-CG1 4.48Å; Y568-I573 PolarHBondContact O-N 3.38Å; M571-I573 HydrophobicContact CB-CG1 4.01Å; M571-I573 HydrophobicContact CE-CD1 4.48Å; M571-I573 HydrophobicContact CE-CG1 4.42Å; M571-I573 PolarHBondContact O-N 2.92Å
574V86.9Confident87.4Confident129 Ų12951 Ų5178%0.78228%0.28SS*.PPolyproline II helixtrans-80.7133.9178.1-177.90000109.1
575E91.2Very high88.2Confident14 Ų1448.7 Ų48.77%0.06527%0.271CS..PPolyproline II helixtrans-62.8130.9173.1178.5174.5-16000110.5P520 S522 R564 Y568 G577P520-E575 HydrophobicContact CB-CB 4.21Å; P520-E575 HydrophobicContact CB-CG 4.03Å; S522-E575 WeakPolarHBondContact CB-OE2 3.27Å; S522-E575 PolarHBondContact OG-OE2 2.99Å; R564-E575 IonicContact CZ-OE1 3.71Å; R564-E575 IonicContact NE-OE1 3.98Å; R564-E575 PolarHBondContact NE-OE1 2.85Å; R564-E575 IonicContact NH2-OE1 3.03Å; Y568-E575 HydrophobicContact CD2-CB 3.59Å; Y568-E575 HydrophobicContact CD2-CG 3.65Å; Y568-E575 HydrophobicContact CE2-CB 4.05Å; Y568-E575 HydrophobicContact CE2-CG 3.64Å; Y568-E575 HydrophobicContact CG-CB 3.88Å; Y568-E575 HydrophobicContact CG-CG 4.39Å; E575-G577 PolarHBondContact O-N 3.13Å
576P92.7Very high89Confident25 Ų2544.8 Ų44.816%0.16225%0.251CS..PPolyproline II helixtrans-56.9134.7173-27.136.6000112.4I336 P557 I558I336-P576 HydrophobicContact CD1-CG 3.17Å; P557-P576 HydrophobicContact CB-CG 4.14Å; P557-P576 HydrophobicContact CG-CG 4.17Å; I558-P576 WeakPolarHBondContact CD1-O 3.27Å
577G95.5Very high90.1Very high8 Ų840.9 Ų40.98%0.08223%0.23CC..EExtended strand (participates in β ladder)trans-85.3157173.900000113.1N518 T519 E575N518-G577 WeakPolarHBondContact O-CA 3.4Å; T519-G577 CarbonylContact O-C 3.37Å; T519-G577 WeakPolarHBondContact O-CA 3.48Å; E575-G577 PolarHBondContact O-N 3.13Å
578L97.8Very high91.1Very high0 Ų039.2 Ų39.20%022%0.217CC..EExtended strand (participates in β ladder)trans-65136.8172.2-72.1159.5000110.5F515 N518 T519 L524 I558 L560 M582 V584 V606 F647F515-L578 HydrophobicContact CE2-CB 3.84Å; F515-L578 HydrophobicContact CE2-CD1 3.99Å; F515-L578 HydrophobicContact CZ-CB 4.41Å; F515-L578 HydrophobicContact CZ-CD1 4.09Å; N518-L578 WeakPolarHBondContact CA-O 3.27Å; N518-L578 PolarHBondContact N-O 3.42Å; T519-L578 PolarHBondContact O-N 2.93Å; L524-L578 HydrophobicContact CD1-CD1 3.41Å; L524-L578 VanDerWaalsContact CD1-CD1 3.41Å; I558-L578 HydrophobicContact CD1-CD2 3.91Å; I558-L578 HydrophobicContact CD1-CG 4.01Å; I558-L578 HydrophobicContact CG1-CD2 3.5Å; I558-L578 HydrophobicContact CG1-CG 4.18Å; L560-L578 HydrophobicContact CD2-CD1 3.92Å; L578-M582 HydrophobicContact CD2-SD 4.29Å; L578-V584 HydrophobicContact CD2-CG1 3.87Å; L578-V606 HydrophobicContact CD2-CG2 4.03Å; L578-F647 HydrophobicContact CD1-CZ 4.28Å
579Q97.6Very high92Very high71 Ų7138.1 Ų38.133%0.33221%0.212SC..  trans-128.4160.1178.1-65.1178.466.100109.9I345 N518 M582 V606I345-Q579 HydrophobicContact CD1-CB 4.27Å; I345-Q579 HydrophobicContact CG1-CB 4.5Å; N518-Q579 VanDerWaalsContact OD1-CG 3.31Å; N518-Q579 WeakPolarHBondContact OD1-CG 3.48Å; Q579-M582 HydrophobicContact CB-CE 3.91Å; Q579-M582 HydrophobicContact CB-CG 4.44Å; Q579-M582 HydrophobicContact CB-SD 4.15Å; Q579-M582 HydrophobicContact CG-CE 4.16Å; Q579-M582 PolarHBondContact N-SD 2.91Å; Q579-M582 WeakPolarHBondContact O-CB 3.32Å; Q579-M582 VanDerWaalsContact O-CG 3.32Å; Q579-M582 WeakPolarHBondContact O-CG 3.12Å; Q579-M582 PolarHBondContact O-N 2.81Å; Q579-V606 WeakPolarHBondContact O-CB 3.48Å; Q579-V606 VanDerWaalsContact O-CG1 3.24Å; Q579-V606 WeakPolarHBondContact O-CG1 3.08Å
580E97.9Very high92.8Very high58 Ų5836.2 Ų36.227%0.27120%0.195SC..THydrogen-bonded Turntrans-51.5145.5172174.9-177.1-148.100111.3M582 V606 P608 K643 L645E580-M582 PolarHBondContact O-N 2.69Å; E580-V606 CarbonylContact C-O 3.55Å; E580-V606 WeakPolarHBondContact CA-O 3.34Å; E580-P608 WeakPolarHBondContact OE1-CD 3.36Å; E580-P608 WeakPolarHBondContact OE1-CG 3.39Å; E580-K643 WeakPolarHBondContact OE2-CE 3.45Å; E580-K643 IonicContact OE2-NZ 2.74Å; E580-K643 PolarHBondContact OE2-NZ 3.28Å; E580-L645 HydrophobicContact CB-CD2 4Å
581N98.4Very high93.9Very high33 Ų3329.6 Ų29.618%0.17617%0.17CC..THydrogen-bonded Turntrans66.710.6179.8-55.6-29.1000115I345 K346 L351 V606I345-N581 HydrophobicContact CG2-CB 4.14Å; K346-N581 WeakPolarHBondContact CB-O 3.15Å; K346-N581 WeakPolarHBondContact CG-O 3.31Å; K346-N581 PolarHBondContact N-O 2.87Å; K346-N581 VanDerWaalsContact O-CB 3.27Å; K346-N581 WeakPolarHBondContact O-CB 3.23Å; L351-N581 HydrophobicContact CD1-CB 3.86Å; L351-N581 WeakPolarHBondContact CD1-OD1 3.49Å; N581-V606 PolarHBondContact N-O 3.49Å
582M98.6Very high94.9Very high3 Ų330.2 Ų30.22%0.01517%0.169CC..BIsolated β-bridgetrans-73.1150.7163.5-67.6-178.1167.600110.3S344 I345 I558 L578 Q579 E580 V606S344-M582 WeakPolarHBondContact O-CG 3.41Å; I345-M582 HydrophobicContact CD1-CE 4.43Å; I345-M582 HydrophobicContact CG1-CE 3.84Å; I345-M582 HydrophobicContact CG1-CG 4.17Å; I558-M582 HydrophobicContact CB-SD 4.3Å; I558-M582 HydrophobicContact CD1-SD 4.15Å; I558-M582 HydrophobicContact CG1-SD 3.8Å; L578-M582 HydrophobicContact CD2-SD 4.29Å; Q579-M582 HydrophobicContact CB-CE 3.91Å; Q579-M582 HydrophobicContact CB-CG 4.44Å; Q579-M582 HydrophobicContact CB-SD 4.15Å; Q579-M582 HydrophobicContact CG-CE 4.16Å; Q579-M582 PolarHBondContact N-SD 2.91Å; Q579-M582 WeakPolarHBondContact O-CB 3.32Å; Q579-M582 VanDerWaalsContact O-CG 3.32Å; Q579-M582 WeakPolarHBondContact O-CG 3.12Å; Q579-M582 PolarHBondContact O-N 2.81Å; E580-M582 PolarHBondContact O-N 2.69Å; M582-V606 HydrophobicContact CB-CB 4.28Å; M582-V606 HydrophobicContact CB-CG2 3.96Å; M582-V606 PolarHBondContact O-N 2.88Å
583V98.7Very high95.4Very high2 Ų230.7 Ų30.71%0.01216%0.161CC..EExtended strand (participates in β ladder)trans-117.9122.7176.5-172.70000107.5K346 L351 I354 G546 V547 V603 V604 F605K346-V583 HydrophobicContact CG-CG2 3.58Å; L351-V583 HydrophobicContact CD2-CG2 3.8Å; I354-V583 HydrophobicContact CD1-CG2 3.98Å; G546-V583 CarbonylContact C-O 3.56Å; G546-V583 WeakPolarHBondContact CA-O 3.38Å; V547-V583 HydrophobicContact CB-CG1 4.05Å; V547-V583 PolarHBondContact N-O 2.94Å; V583-V603 HydrophobicContact CG1-CG1 3.38Å; V583-V604 WeakPolarHBondContact CA-O 3.48Å; V583-F605 HydrophobicContact CB-CD1 4.29Å; V583-F605 HydrophobicContact CB-CE1 4.45Å; V583-F605 HydrophobicContact CG1-CD1 4.04Å; V583-F605 HydrophobicContact CG1-CE1 4.02Å; V583-F605 HydrophobicContact CG2-CD1 3.64Å; V583-F605 HydrophobicContact CG2-CE1 3.64Å
584V98.6Very high95.7Very high0 Ų035.6 Ų35.60%019%0.187CC..EExtended strand (participates in β ladder)trans-137.5163.4-176.8-59.60000111.4H545 I558 L560 L578 V603 V604 V606 F647H545-V584 CarbonylContact O-C 3.56Å; H545-V584 WeakPolarHBondContact O-CA 3.33Å; H545-V584 WeakPolarHBondContact O-CB 3.16Å; I558-V584 HydrophobicContact CG2-CG1 4.09Å; L560-V584 HydrophobicContact CD1-CG2 4.22Å; L578-V584 HydrophobicContact CD2-CG1 3.87Å; V584-V603 CarbonylContact O-C 3.47Å; V584-V603 WeakPolarHBondContact O-CA 3.46Å; V584-V604 HydrophobicContact CG2-CG2 3.54Å; V584-V604 PolarHBondContact N-O 3.11Å; V584-V604 WeakPolarHBondContact O-CG2 3.22Å; V584-V604 PolarHBondContact O-N 3.36Å; V584-V606 HydrophobicContact CG2-CG2 4.33Å; V584-F647 HydrophobicContact CG2-CD1 4.36Å; V584-F647 HydrophobicContact CG2-CE1 3.91Å
585T98.7Very high96.1Very high0 Ų033.8 Ų33.80%017%0.17CC..EExtended strand (participates in β ladder)trans-95.7155170.856.90000111.8D482 G544 H545 V547 L560 E601 N602 V603D482-T585 HydrophobicContact CB-CG2 4.3Å; G544-T585 WeakPolarHBondContact CA-O 3.34Å; G544-T585 WeakPolarHBondContact CA-OG1 3.46Å; H545-T585 PolarHBondContact CD2-OG1 3.37Å; H545-T585 VanDerWaalsContact CD2-OG1 3.25Å; H545-T585 PolarHBondContact N-OG1 3.23Å; H545-T585 PolarHBondContact NE2-OG1 3.18Å; H545-T585 PolarHBondContact O-N 3.48Å; V547-T585 HydrophobicContact CG2-CG2 3.69Å; L560-T585 WeakPolarHBondContact CD1-O 3.39Å; T585-E601 WeakPolarHBondContact CB-OE1 3.47Å; T585-E601 WeakPolarHBondContact CG2-OE1 3.19Å; T585-N602 CarbonylContact C-O 3.57Å; T585-N602 VanDerWaalsContact CA-O 3.31Å; T585-N602 WeakPolarHBondContact CA-O 3.38Å; T585-V603 HydrophobicContact CG2-CG2 3.97Å
586I98.8Very high96.4Very high0 Ų033.5 Ų33.50%017%0.169CC..EExtended strand (participates in β ladder)trans-125.6108.7162.4-62.5174.8000106.7H507 L510 A511 T543 L560 E601 N602 V604 F647H507-I586 PolarHBondContact CE1-O 3.06Å; H507-I586 VanDerWaalsContact CE1-O 3.25Å; H507-I586 PolarHBondContact ND1-O 3.43Å; L510-I586 HydrophobicContact CB-CD1 4.49Å; L510-I586 HydrophobicContact CB-CG2 4.4Å; L510-I586 HydrophobicContact CD2-CD1 4.43Å; L510-I586 HydrophobicContact CD2-CG1 4.16Å; L510-I586 HydrophobicContact CD2-CG2 4.16Å; L510-I586 HydrophobicContact CG-CD1 4.02Å; L510-I586 HydrophobicContact CG-CG1 4.3Å; L510-I586 HydrophobicContact CG-CG2 4.48Å; A511-I586 HydrophobicContact CB-CD1 4Å; T543-I586 CarbonylContact O-C 3.58Å; T543-I586 WeakPolarHBondContact O-CA 3.31Å; L560-I586 HydrophobicContact CD1-CG1 4.21Å; I586-E601 WeakPolarHBondContact O-CA 3.43Å; I586-N602 PolarHBondContact N-O 2.86Å; I586-N602 PolarHBondContact O-N 3.11Å; I586-N602 VanDerWaalsContact O-N 3.09Å; I586-V604 HydrophobicContact CD1-CG1 4.03Å; I586-V604 HydrophobicContact CD1-CG2 4.13Å; I586-V604 HydrophobicContact CG1-CG1 4.37Å; I586-V604 HydrophobicContact CG1-CG2 4.15Å; I586-F647 HydrophobicContact CD1-CD2 4.14Å; I586-F647 HydrophobicContact CD1-CG 4.23Å
587E98.3Very high96.5Very high12 Ų1232.4 Ų32.46%0.05616%0.162CC..  trans-137.953.1-166.855.5158.7151.400113.8H541 T543 H545 R599 L600 E601H541-E587 PolarHBondContact CE1-O 3.15Å; H541-E587 IonicContact ND1-OE2 3.36Å; T543-E587 VanDerWaalsContact O-CG 3.24Å; T543-E587 WeakPolarHBondContact O-CG 3.47Å; T543-E587 PolarHBondContact O-N 3.05Å; H545-E587 IonicContact CD2-OE1 2.97Å; H545-E587 PolarHBondContact CD2-OE1 2.76Å; H545-E587 IonicContact NE2-OE1 2.65Å; E587-R599 IonicContact OE2-NH1 3.45Å; E587-R599 PolarHBondContact OE2-NH1 2.82Å; E587-R599 VanDerWaalsContact OE2-NH1 3.16Å; E587-L600 WeakPolarHBondContact CA-O 3.45Å; E587-E601 HydrophobicContact CB-CB 3.59Å; E587-E601 HydrophobicContact CB-CG 3.71Å
588P98.2Very high96.7Very high0 Ų032 Ų320%016%0.158CC..  trans-60.7154.4175.129.2-36.6000111.9V503 A506 H507 Y539 L600V503-P588 HydrophobicContact CG1-CB 4.39Å; V503-P588 HydrophobicContact CG1-CG 4.24Å; V503-P588 VanDerWaalsContact CG1-O 3.3Å; V503-P588 WeakPolarHBondContact CG1-O 3.43Å; A506-P588 HydrophobicContact CB-CB 3.9Å; A506-P588 HydrophobicContact CB-CG 4.1Å; H507-P588 HydrophobicContact CB-CG 3.74Å; Y539-P588 HydrophobicContact CE1-CB 4.13Å; P588-L600 WeakPolarHBondContact CD-O 3.37Å; P588-L600 PolarHBondContact O-N 2.82Å
589G97.4Very high96.7Very high0 Ų032.4 Ų32.40%016%0.159CC..EExtended strand (participates in β ladder)trans-143.8169.2177.500000114.9Y539 I598Y539-G589 WeakPolarHBondContact CB-O 3.22Å; Y539-G589 WeakPolarHBondContact CD1-O 3.45Å; G589-I598 CarbonylContact C-O 3.3Å; G589-I598 WeakPolarHBondContact CA-O 3.31Å
590Y97.4Very high96.8Very high58 Ų5829 Ų2923%0.22714%0.143CC..EExtended strand (participates in β ladder)trans-144.4132.3171.2178.9-109.9000108.9C499 M532 W592 F596 G597 I598C499-Y590 HydrophobicContact CB-CD1 4.12Å; C499-Y590 HydrophobicContact CB-CE1 4.27Å; M532-Y590 HydrophobicContact CE-CD2 3.96Å; M532-Y590 HydrophobicContact CE-CG 4.17Å; Y590-W592 HydrophobicContact CE1-CB 3.97Å; Y590-F596 HydrophobicContact CD1-CE2 4.46Å; Y590-G597 CarbonylContact O-C 3.5Å; Y590-G597 VanDerWaalsContact O-CA 3.31Å; Y590-G597 WeakPolarHBondContact O-CA 3.22Å; Y590-I598 PolarHBondContact N-O 3.26Å; Y590-I598 PolarHBondContact O-N 3.35Å
591Y94.9Very high96.8Very high36 Ų3626.3 Ų26.314%0.14113%0.131CC..EExtended strand (participates in β ladder)trans-131.8107.7-172.4-55.8-85.4000109.1G447 I450 H541G447-Y591 WeakPolarHBondContact O-CD1 3.34Å; I450-Y591 HydrophobicContact CB-CE1 4.5Å; I450-Y591 HydrophobicContact CD1-CD2 3.82Å; I450-Y591 HydrophobicContact CD1-CE2 3.87Å; I450-Y591 HydrophobicContact CD1-CG 4.23Å; I450-Y591 HydrophobicContact CG1-CD1 3.7Å; I450-Y591 HydrophobicContact CG1-CD2 3.71Å; I450-Y591 HydrophobicContact CG1-CE1 3.61Å; I450-Y591 HydrophobicContact CG1-CE2 3.62Å; I450-Y591 HydrophobicContact CG1-CG 3.75Å; H541-Y591 AromaticContact CD2-CE2 3.74Å; H541-Y591 AromaticContact CD2-CZ 3.92Å; H541-Y591 PolarHBondContact CD2-OH 2.68Å; H541-Y591 AromaticContact NE2-CE2 3.25Å; H541-Y591 WeakPolarHBondContact NE2-CE2 3.27Å; H541-Y591 AromaticContact NE2-CZ 3.41Å; H541-Y591 PolarHBondContact NE2-OH 2.99Å
592W93.8Very high96.8Very high75 Ų7524.7 Ų24.728%0.28412%0.122SC..EExtended strand (participates in β ladder)trans-100.7101.7176.4-172.82.7000109.1A448 E495 Y590 D594 H595 F596A448-W592 WeakPolarHBondContact CB-O 3.44Å; E495-W592 HydrophobicContact CG-CZ3 4.29Å; E495-W592 WeakPolarHBondContact OE1-CH2 3.38Å; Y590-W592 HydrophobicContact CE1-CB 3.97Å; W592-D594 PolarHBondContact O-N 3.48Å; W592-H595 HydrophobicContact CB-CB 4.18Å; W592-H595 AromaticContact CD1-ND1 3.61Å; W592-H595 HydrophobicContact CD2-CB 3.81Å; W592-H595 AromaticContact CD2-CG 3.69Å; W592-H595 AromaticContact CD2-ND1 3.95Å; W592-H595 AromaticContact CE2-CD2 3.83Å; W592-H595 AromaticContact CE2-CE1 3.76Å; W592-H595 AromaticContact CE2-CG 3.68Å; W592-H595 AromaticContact CE2-ND1 3.62Å; W592-H595 AromaticContact CE2-NE2 3.89Å; W592-H595 HydrophobicContact CE3-CB 4.03Å; W592-H595 HydrophobicContact CG-CB 3.87Å; W592-H595 AromaticContact CG-CG 3.98Å; W592-H595 AromaticContact CG-ND1 3.97Å; W592-H595 AromaticContact CZ2-CD2 3.81Å; W592-H595 AromaticContact CZ2-CE1 3.98Å; W592-H595 AromaticContact CZ2-NE2 3.71Å; W592-H595 AromaticContact NE1-CE1 3.58Å; W592-H595 AromaticContact NE1-CG 3.9Å; W592-H595 AromaticContact NE1-ND1 3.38Å; W592-H595 PolarHBondContact NE1-ND1 3.14Å; W592-H595 PolarHBondContact O-N 3.08Å; W592-F596 HydrophobicContact CE3-CD1 4.43Å; W592-F596 AromaticContact CE3-CE1 3.6Å; W592-F596 HydrophobicContact CE3-CE1 3.6Å; W592-F596 AromaticContact CE3-CZ 3.78Å; W592-F596 HydrophobicContact CE3-CZ 3.78Å; W592-F596 HydrophobicContact CZ3-CE1 4.01Å; W592-F596 HydrophobicContact CZ3-CZ 4.32Å; W592-F596 PolarHBondContact N-O 3.41Å; W592-F596 PolarHBondContact O-N 3.34Å; W592-F596 VanDerWaalsContact O-N 3.16Å
593S88.9Confident96.8Very high82 Ų8224.6 Ų24.657%0.57312%0.122SC*.THydrogen-bonded Turntrans-43.6134.7-179.8-52.50000112.1H595S593-H595 PolarHBondContact O-N 3.27Å; S593-H595 VanDerWaalsContact O-N 3.11Å; S593-H595 PolarHBondContact O-ND1 2.68Å
594D90.3Very high96.8Very high141 Ų14124.6 Ų24.675%0.75412%0.122SC*.THydrogen-bonded Turntrans63.76179.6-49.3-49.3000115.7W592W592-D594 PolarHBondContact O-N 3.48Å
595H94.7Very high96.8Very high91 Ų9124.7 Ų24.742%0.42112%0.122SC..THydrogen-bonded Turntrans-121.2-72-178.6-63.370.9000112.3D444 A445 W592 S593D444-H595 CarbonylContact C-O 3.16Å; A445-H595 WeakPolarHBondContact CA-O 2.95Å; A445-H595 PolarHBondContact N-O 2.87Å; W592-H595 HydrophobicContact CB-CB 4.18Å; W592-H595 AromaticContact CD1-ND1 3.61Å; W592-H595 HydrophobicContact CD2-CB 3.81Å; W592-H595 AromaticContact CD2-CG 3.69Å; W592-H595 AromaticContact CD2-ND1 3.95Å; W592-H595 AromaticContact CE2-CD2 3.83Å; W592-H595 AromaticContact CE2-CE1 3.76Å; W592-H595 AromaticContact CE2-CG 3.68Å; W592-H595 AromaticContact CE2-ND1 3.62Å; W592-H595 AromaticContact CE2-NE2 3.89Å; W592-H595 HydrophobicContact CE3-CB 4.03Å; W592-H595 HydrophobicContact CG-CB 3.87Å; W592-H595 AromaticContact CG-CG 3.98Å; W592-H595 AromaticContact CG-ND1 3.97Å; W592-H595 AromaticContact CZ2-CD2 3.81Å; W592-H595 AromaticContact CZ2-CE1 3.98Å; W592-H595 AromaticContact CZ2-NE2 3.71Å; W592-H595 AromaticContact NE1-CE1 3.58Å; W592-H595 AromaticContact NE1-CG 3.9Å; W592-H595 AromaticContact NE1-ND1 3.38Å; W592-H595 PolarHBondContact NE1-ND1 3.14Å; W592-H595 PolarHBondContact O-N 3.08Å; S593-H595 PolarHBondContact O-N 3.27Å; S593-H595 VanDerWaalsContact O-N 3.11Å; S593-H595 PolarHBondContact O-ND1 2.68Å
596F96.2Very high96.8Very high9 Ų924.7 Ų24.74%0.03912%0.122CC..EExtended strand (participates in β ladder)trans-165.7163.3179.758.9-94.3000112D444 I467 Q496 C499 Y590 W592 I598D444-F596 VanDerWaalsContact O-CA 3.31Å; D444-F596 WeakPolarHBondContact O-CA 3.33Å; I467-F596 HydrophobicContact CB-CB 4.33Å; I467-F596 HydrophobicContact CD1-CB 3.69Å; I467-F596 HydrophobicContact CD1-CD1 3.72Å; I467-F596 HydrophobicContact CD1-CD2 4.1Å; I467-F596 HydrophobicContact CD1-CE1 4.38Å; I467-F596 HydrophobicContact CD1-CG 3.56Å; I467-F596 HydrophobicContact CG2-CB 4.25Å; Q496-F596 HydrophobicContact CG-CD1 4.44Å; Q496-F596 HydrophobicContact CG-CE1 3.84Å; Q496-F596 HydrophobicContact CG-CZ 4.15Å; C499-F596 HydrophobicContact CB-CE2 3.95Å; C499-F596 HydrophobicContact CB-CZ 4.13Å; Y590-F596 HydrophobicContact CD1-CE2 4.46Å; W592-F596 HydrophobicContact CE3-CD1 4.43Å; W592-F596 AromaticContact CE3-CE1 3.6Å; W592-F596 HydrophobicContact CE3-CE1 3.6Å; W592-F596 AromaticContact CE3-CZ 3.78Å; W592-F596 HydrophobicContact CE3-CZ 3.78Å; W592-F596 HydrophobicContact CZ3-CE1 4.01Å; W592-F596 HydrophobicContact CZ3-CZ 4.32Å; W592-F596 PolarHBondContact N-O 3.41Å; W592-F596 PolarHBondContact O-N 3.34Å; W592-F596 VanDerWaalsContact O-N 3.16Å; F596-I598 HydrophobicContact CD2-CD1 4.07Å; F596-I598 HydrophobicContact CD2-CG1 3.87Å; F596-I598 HydrophobicContact CE2-CD1 3.75Å; F596-I598 HydrophobicContact CE2-CG1 4.03Å
597G96.6Very high96.8Very high1 Ų126 Ų261%0.0113%0.13CC..EExtended strand (participates in β ladder)trans-125.4154165.600000111.7G447 Y590G447-G597 VanDerWaalsContact C-N 3.32Å; G447-G597 VanDerWaalsContact O-CA 3.28Å; G447-G597 WeakPolarHBondContact O-CA 3.35Å; Y590-G597 CarbonylContact O-C 3.5Å; Y590-G597 VanDerWaalsContact O-CA 3.31Å; Y590-G597 WeakPolarHBondContact O-CA 3.22Å
598I98.4Very high96.7Very high0 Ų028.1 Ų28.10%015%0.145CC..EExtended strand (participates in β ladder)trans-132.9121.8178.8-54.4-179.7000106.8T486 C499 Y500 V503 G589 Y590 F596 L600T486-I598 HydrophobicContact CG2-CB 4.49Å; T486-I598 HydrophobicContact CG2-CG1 4.27Å; T486-I598 HydrophobicContact CG2-CG2 4.41Å; C499-I598 HydrophobicContact CB-CD1 3.81Å; Y500-I598 VanDerWaalsContact CA-CD1 3.47Å; Y500-I598 HydrophobicContact CD2-CD1 4.43Å; Y500-I598 HydrophobicContact CD2-CG2 3.82Å; Y500-I598 HydrophobicContact CE2-CG2 4.4Å; Y500-I598 VanDerWaalsContact N-CD1 3.31Å; V503-I598 HydrophobicContact CB-CG2 4.02Å; V503-I598 HydrophobicContact CG1-CG2 4.16Å; V503-I598 HydrophobicContact CG2-CB 4.18Å; V503-I598 HydrophobicContact CG2-CG2 4.02Å; G589-I598 CarbonylContact C-O 3.3Å; G589-I598 WeakPolarHBondContact CA-O 3.31Å; Y590-I598 PolarHBondContact N-O 3.26Å; Y590-I598 PolarHBondContact O-N 3.35Å; F596-I598 HydrophobicContact CD2-CD1 4.07Å; F596-I598 HydrophobicContact CD2-CG1 3.87Å; F596-I598 HydrophobicContact CE2-CD1 3.75Å; F596-I598 HydrophobicContact CE2-CG1 4.03Å; I598-L600 HydrophobicContact CG2-CG 4.35Å
599R98.5Very high96.3Very high8 Ų829.9 Ų29.93%0.0316%0.156CC..EExtended strand (participates in β ladder)trans-133.9141.8166.7176.2171.563.9170.2-9.9109.1L469 D471 T484 T486 E587L469-R599 HydrophobicContact CD1-CB 4.19Å; D471-R599 IonicContact OD2-CZ 3.63Å; D471-R599 VanDerWaalsContact OD2-CZ 3.31Å; D471-R599 IonicContact OD2-NH1 3.61Å; D471-R599 IonicContact OD2-NH2 2.96Å; D471-R599 PolarHBondContact OD2-NH2 2.98Å; T484-R599 HydrophobicContact CG2-CB 3.78Å; T484-R599 HydrophobicContact CG2-CG 3.86Å; T484-R599 WeakPolarHBondContact CG2-O 3.35Å; T484-R599 PolarHBondContact OG1-NE 3.34Å; T486-R599 PolarHBondContact OG1-N 2.89Å; T486-R599 VanDerWaalsContact OG1-N 3.12Å; T486-R599 PolarHBondContact OG1-O 3.5Å; E587-R599 IonicContact OE2-NH1 3.45Å; E587-R599 PolarHBondContact OE2-NH1 2.82Å; E587-R599 VanDerWaalsContact OE2-NH1 3.16Å
600L98.8Very high95.2Very high0 Ų038.4 Ų38.40%020%0.195CC..  trans-135.3110.3-173.6-68.7-175.8000109.6Y500 V503 L504 H507 E587 P588 I598 F655Y500-L600 HydrophobicContact CE1-CD1 4.34Å; Y500-L600 HydrophobicContact CE2-CD1 4.17Å; Y500-L600 HydrophobicContact CE2-CD2 3.79Å; Y500-L600 HydrophobicContact CE2-CG 4.41Å; V503-L600 HydrophobicContact CB-CD1 4.41Å; V503-L600 HydrophobicContact CG1-CB 4.1Å; V503-L600 HydrophobicContact CG1-CD1 4.07Å; V503-L600 HydrophobicContact CG1-CG 3.98Å; L504-L600 HydrophobicContact CB-CD1 3.8Å; L504-L600 HydrophobicContact CD1-CD1 4.24Å; H507-L600 PolarHBondContact ND1-O 2.79Å; H507-L600 VanDerWaalsContact ND1-O 3.17Å; E587-L600 WeakPolarHBondContact CA-O 3.45Å; P588-L600 WeakPolarHBondContact CD-O 3.37Å; P588-L600 PolarHBondContact O-N 2.82Å; I598-L600 HydrophobicContact CG2-CG 4.35Å; L600-F655 HydrophobicContact CB-CD1 4.44Å; L600-F655 HydrophobicContact CB-CE1 3.92Å; L600-F655 HydrophobicContact CD1-CD1 4Å; L600-F655 HydrophobicContact CD1-CE1 4.18Å; L600-F655 HydrophobicContact CD2-CD1 3.89Å; L600-F655 HydrophobicContact CD2-CE1 4.17Å; L600-F655 HydrophobicContact CG-CD1 4.34Å; L600-F655 HydrophobicContact CG-CE1 4.32Å
601E98.7Very high93.2Very high1 Ų140.3 Ų40.31%0.00521%0.213CC..  trans-128.4134.1-167.4168.4170.2-137.500114.2T484 R485 T585 I586 E587T484-E601 PolarHBondContact N-OE2 2.73Å; T484-E601 PolarHBondContact O-N 2.83Å; T484-E601 PolarHBondContact OG1-OE2 3.5Å; R485-E601 PolarHBondContact NH1-O 3.2Å; T585-E601 WeakPolarHBondContact CB-OE1 3.47Å; T585-E601 WeakPolarHBondContact CG2-OE1 3.19Å; I586-E601 WeakPolarHBondContact O-CA 3.43Å; E587-E601 HydrophobicContact CB-CB 3.59Å; E587-E601 HydrophobicContact CB-CG 3.71Å
602N98.7Very high90.9Very high0 Ų045.8 Ų45.80%024%0.238CC..EExtended strand (participates in β ladder)trans-128139.9167.1-73.3-22.9000110.2R485 H507 T585 I586 V604 T651 Y676R485-N602 PolarHBondContact NH2-OD1 3.42Å; H507-N602 PolarHBondContact NE2-ND2 3.28Å; T585-N602 CarbonylContact C-O 3.57Å; T585-N602 VanDerWaalsContact CA-O 3.31Å; T585-N602 WeakPolarHBondContact CA-O 3.38Å; I586-N602 PolarHBondContact N-O 2.86Å; I586-N602 PolarHBondContact O-N 3.11Å; I586-N602 VanDerWaalsContact O-N 3.09Å; N602-V604 HydrophobicContact CB-CG1 4.24Å; N602-T651 WeakPolarHBondContact OD1-CB 3.32Å; N602-T651 WeakPolarHBondContact OD1-CG2 3.44Å; N602-Y676 PolarHBondContact ND2-OH 2.96Å; N602-Y676 PolarHBondContact OD1-OH 3.16Å
603V98.8Very high88.3Confident0 Ų048.8 Ų48.80%026%0.259CS..EExtended strand (participates in β ladder)trans-71.9134.6154.9177.40000108.3D482 V547 V583 V584 T585 V650 T651D482-V603 HydrophobicContact CB-CG2 4.03Å; D482-V603 WeakPolarHBondContact O-CG2 3.25Å; V547-V603 HydrophobicContact CG2-CG2 4.25Å; V583-V603 HydrophobicContact CG1-CG1 3.38Å; V584-V603 CarbonylContact O-C 3.47Å; V584-V603 WeakPolarHBondContact O-CA 3.46Å; T585-V603 HydrophobicContact CG2-CG2 3.97Å; V603-V650 HydrophobicContact CG1-CB 4.4Å; V603-V650 PolarHBondContact O-N 2.87Å; V603-T651 PolarHBondContact N-OG1 3.35Å; V603-T651 PolarHBondContact O-N 3.27Å
604V98.7Very high86.3Confident2 Ų249.9 Ų49.91%0.01225%0.254CS..EExtended strand (participates in β ladder)trans-131.2146.5180-55.10000110.9V583 V584 I586 N602 F647 E648V583-V604 WeakPolarHBondContact CA-O 3.48Å; V584-V604 HydrophobicContact CG2-CG2 3.54Å; V584-V604 PolarHBondContact N-O 3.11Å; V584-V604 WeakPolarHBondContact O-CG2 3.22Å; V584-V604 PolarHBondContact O-N 3.36Å; I586-V604 HydrophobicContact CD1-CG1 4.03Å; I586-V604 HydrophobicContact CD1-CG2 4.13Å; I586-V604 HydrophobicContact CG1-CG1 4.37Å; I586-V604 HydrophobicContact CG1-CG2 4.15Å; N602-V604 HydrophobicContact CB-CG1 4.24Å; V604-F647 HydrophobicContact CB-CB 4.09Å; V604-F647 HydrophobicContact CB-CD1 4.33Å; V604-F647 HydrophobicContact CG1-CB 4.45Å; V604-F647 HydrophobicContact CG2-CB 4.06Å; V604-F647 HydrophobicContact CG2-CD1 3.45Å; V604-F647 VanDerWaalsContact CG2-CD1 3.45Å; V604-F647 HydrophobicContact CG2-CE1 4.16Å; V604-F647 HydrophobicContact CG2-CG 3.99Å; V604-E648 CarbonylContact C-O 3.57Å; V604-E648 WeakPolarHBondContact CA-O 3.24Å; V604-E648 WeakPolarHBondContact CB-O 3.05Å
605F98.6Very high83.9Confident2 Ų251 Ų511%0.00926%0.259CS..EExtended strand (participates in β ladder)trans-87.7141.9165.7-65.1-23.6000110.4L351 I354 R355 V583 V607 F647 E648 V650L351-F605 HydrophobicContact CB-CE2 4.27Å; L351-F605 HydrophobicContact CB-CZ 4.21Å; L351-F605 HydrophobicContact CD2-CD1 3.72Å; L351-F605 HydrophobicContact CD2-CD2 4.28Å; L351-F605 HydrophobicContact CD2-CE1 3.57Å; L351-F605 HydrophobicContact CD2-CE2 4.17Å; L351-F605 HydrophobicContact CD2-CG 4.07Å; L351-F605 HydrophobicContact CD2-CZ 3.82Å; L351-F605 WeakPolarHBondContact O-CZ 3.3Å; I354-F605 HydrophobicContact CB-CE1 4.22Å; I354-F605 HydrophobicContact CB-CZ 4.06Å; I354-F605 HydrophobicContact CG2-CE1 3.69Å; I354-F605 HydrophobicContact CG2-CZ 3.83Å; R355-F605 HydrophobicContact CB-CE2 4.23Å; R355-F605 HydrophobicContact CB-CZ 4.34Å; V583-F605 HydrophobicContact CB-CD1 4.29Å; V583-F605 HydrophobicContact CB-CE1 4.45Å; V583-F605 HydrophobicContact CG1-CD1 4.04Å; V583-F605 HydrophobicContact CG1-CE1 4.02Å; V583-F605 HydrophobicContact CG2-CD1 3.64Å; V583-F605 HydrophobicContact CG2-CE1 3.64Å; F605-V607 HydrophobicContact CB-CG1 3.91Å; F605-F647 CarbonylContact O-C 3.09Å; F605-F647 VanDerWaalsContact O-CA 3.31Å; F605-F647 WeakPolarHBondContact O-CA 3.48Å; F605-E648 HydrophobicContact CB-CB 4.34Å; F605-E648 PolarHBondContact N-O 2.8Å; F605-E648 PolarHBondContact O-N 3.26Å; F605-V650 HydrophobicContact CB-CG2 4.3Å; F605-V650 HydrophobicContact CD1-CG2 3.44Å; F605-V650 VanDerWaalsContact CD1-CG2 3.44Å; F605-V650 HydrophobicContact CD2-CG2 3.66Å; F605-V650 HydrophobicContact CE1-CG1 4.28Å; F605-V650 HydrophobicContact CE1-CG2 3.54Å; F605-V650 HydrophobicContact CE2-CG1 4.33Å; F605-V650 HydrophobicContact CE2-CG2 3.74Å; F605-V650 HydrophobicContact CG-CG2 3.51Å; F605-V650 HydrophobicContact CZ-CG1 3.94Å; F605-V650 HydrophobicContact CZ-CG2 3.69Å
606V98.6Very high81.1Confident0 Ų054 Ų540%028%0.278CS..EExtended strand (participates in β ladder)trans-85.7111.8167.2-175.40000108.2F515 L578 Q579 E580 N581 M582 V584 L645 F647F515-V606 HydrophobicContact CE2-CG1 4.5Å; F515-V606 HydrophobicContact CZ-CG1 4.1Å; L578-V606 HydrophobicContact CD2-CG2 4.03Å; Q579-V606 WeakPolarHBondContact O-CB 3.48Å; Q579-V606 VanDerWaalsContact O-CG1 3.24Å; Q579-V606 WeakPolarHBondContact O-CG1 3.08Å; E580-V606 CarbonylContact C-O 3.55Å; E580-V606 WeakPolarHBondContact CA-O 3.34Å; N581-V606 PolarHBondContact N-O 3.49Å; M582-V606 HydrophobicContact CB-CB 4.28Å; M582-V606 HydrophobicContact CB-CG2 3.96Å; M582-V606 PolarHBondContact O-N 2.88Å; V584-V606 HydrophobicContact CG2-CG2 4.33Å; V606-L645 HydrophobicContact CG1-CB 3.94Å; V606-L645 HydrophobicContact CG1-CD1 3.66Å; V606-L645 HydrophobicContact CG1-CD2 4.46Å; V606-L645 HydrophobicContact CG1-CG 4.23Å; V606-F647 HydrophobicContact CG2-CD1 4.2Å; V606-F647 HydrophobicContact CG2-CE1 3.95Å
607V97.9Very high78.2Confident28 Ų2857 Ų5717%0.1730%0.3CS..EExtended strand (participates in β ladder)trans-120.6153.1-173-63.80000111F605 L645 S646 E648F605-V607 HydrophobicContact CB-CG1 3.91Å; V607-L645 CarbonylContact O-C 3.49Å; V607-L645 VanDerWaalsContact O-CA 3.22Å; V607-L645 WeakPolarHBondContact O-CA 3.26Å; V607-S646 PolarHBondContact N-O 2.92Å; V607-S646 PolarHBondContact O-N 3.37Å; V607-E648 HydrophobicContact CG1-CB 3.91Å; V607-E648 HydrophobicContact CG2-CB 4Å
608P96Very high75.3Confident56 Ų5663.3 Ų63.336%0.36433%0.334SS..EExtended strand (participates in β ladder)trans-63.9145.4170.728.7-34.4000110.4E580 E610 W644E580-P608 WeakPolarHBondContact OE1-CD 3.36Å; E580-P608 WeakPolarHBondContact OE1-CG 3.39Å; P608-E610 PolarHBondContact O-N 2.99Å; P608-W644 WeakPolarHBondContact CA-O 3.3Å
609V90.1Very high72.1Confident38 Ų3868.7 Ų68.723%0.2337%0.371CS..  trans-67.4130.3170179.40000108.9I514 T611 W644I514-V609 HydrophobicContact CB-CG2 4.41Å; I514-V609 HydrophobicContact CD1-CG1 4.32Å; I514-V609 HydrophobicContact CD1-CG2 4.34Å; I514-V609 HydrophobicContact CG1-CG2 3.99Å; I514-V609 HydrophobicContact CG2-CG2 3.77Å; V609-T611 PolarHBondContact O-N 2.96Å; V609-W644 HydrophobicContact CB-CB 4.28Å; V609-W644 HydrophobicContact CG2-CB 3.92Å; V609-W644 PolarHBondContact N-O 3.17Å
610E74.3Confident68.9Low178 Ų17875.8 Ų75.883%0.83241%0.41SS*.  trans-66.993.5167.6-68.2-172.8174.300109.6P608 K612P608-E610 PolarHBondContact O-N 2.99Å; E610-K612 PolarHBondContact O-N 2.8Å
611T55.4Low65.7Low99 Ų9979.9 Ų79.961%0.60744%0.439SS*.  trans-68.5100.4171.7-9.40000108.2V609 N613V609-T611 PolarHBondContact O-N 2.96Å; T611-N613 PolarHBondContact O-N 3.27Å
612K47.4Very low62.2Low150 Ų15086.3 Ų86.365%0.65248%0.482SS*.  trans-60.2122.7161.3-71.3-174.5179.1-179.10106.7E610 F614E610-K612 PolarHBondContact O-N 2.8Å; K612-F614 VanDerWaalsContact C-N 3.26Å; K612-F614 HydrophobicContact CB-CD2 4.38Å; K612-F614 HydrophobicContact CB-CE2 3.97Å; K612-F614 HydrophobicContact CB-CZ 4.05Å; K612-F614 WeakPolarHBondContact O-CD2 3.23Å; K612-F614 PolarHBondContact O-N 3.1Å
613N39.7Very low59Low138 Ų13891.6 Ų91.674%0.73852%0.515SS*.  trans-6488.2172.5-85.8-28.3000109T611 L615T611-N613 PolarHBondContact O-N 3.27Å; N613-L615 PolarHBondContact O-N 2.79Å
614F45.1Very low55.6Low106 Ų10697.4 Ų97.447%0.46555%0.55SS.*G310 helixtrans-68.5-9.6178.5-71.7-76.8000113.2K612 N616 S617K612-F614 VanDerWaalsContact C-N 3.26Å; K612-F614 HydrophobicContact CB-CD2 4.38Å; K612-F614 HydrophobicContact CB-CE2 3.97Å; K612-F614 HydrophobicContact CB-CZ 4.05Å; K612-F614 WeakPolarHBondContact O-CD2 3.23Å; K612-F614 PolarHBondContact O-N 3.1Å; F614-N616 PolarHBondContact O-N 2.93Å; F614-N616 VanDerWaalsContact O-N 3.13Å; F614-S617 PolarHBondContact O-N 3.07Å; F614-S617 PolarHBondContact O-OG 3.18Å
615L40.8Very low52.4Low165 Ų165102.1 Ų102.186%0.86458%0.584SS**G310 helixtrans-65.6-11.3176.3-76.2167.3000114.3N613N613-L615 PolarHBondContact O-N 2.79Å
616N36.6Very low49.2Very low152 Ų152109.1 Ų109.181%0.81363%0.627SS**G310 helixtrans-110.96.2178.9-80.3-12.4000115.1F614F614-N616 PolarHBondContact O-N 2.93Å; F614-N616 VanDerWaalsContact O-N 3.13Å
617S34Very low46.1Very low72 Ų72114.3 Ų114.350%0.50366%0.663SS.*SBendtrans-105.478168.462.60000110.2F614F614-S617 PolarHBondContact O-N 3.07Å; F614-S617 PolarHBondContact O-OG 3.18Å
618D36.4Very low43.1Very low135 Ų135117.2 Ų117.272%0.72268%0.681SS**  162.988.4129.5-80.3-16.8000111.5
619S31.7Very low40.1Very low112 Ų112118.6 Ų118.678%0.78369%0.692SS**SBend-105.4103.2128.250.10000106.8
620N31.4Very low37.8Very low157 Ų157124.5 Ų124.584%0.8472%0.717SS**SBendtrans73.992.6170.1-50.7-33000117.8
621S30.7Very low36.6Very low87 Ų87124.4 Ų124.461%0.60871%0.709SS**  -169.3119.9109.870.40000111.6
622C25.7Very low36.4Very low136 Ų136123.7 Ų123.792%0.91971%0.708SS**  trans-90.699.9168.3-173.80000107.6
623T30.5Very low37.2Very low111 Ų111123.9 Ų123.968%0.68171%0.708SS**  trans-140.4104.1168.338.40000110.8
624T29Very low38.4Very low122 Ų122122 Ų12275%0.74870%0.696SS**  trans40.797.7142.255.50000119.7
625S30Very low39.6Very low101 Ų101124.9 Ų124.971%0.70671%0.708SS**  58.1125.5117.963.60000120.8
626T31.8Very low40.8Very low149 Ų149121.6 Ų121.691%0.91470%0.699SS**  trans108.424.2157.968.90000119.4
627S34.4Very low41.9Very low109 Ų109119.4 Ų119.476%0.76269%0.693SS**SBendtrans-103.2130.1154.3-175.80000109.1S629S627-S629 PolarHBondContact O-N 3.32Å
628T33.5Very low42.9Very low89 Ų89122.3 Ų122.355%0.54670%0.703SS.*  trans-47.8103.217829.70000111.4H630T628-H630 PolarHBondContact O-N 3.41Å; T628-H630 VanDerWaalsContact O-N 3.08Å
629S32.6Very low43.9Very low84 Ų84123.1 Ų123.159%0.58771%0.713SS**G310 helixtrans-74.910.2-174.456.10000114.3S627 R631 S632S627-S629 PolarHBondContact O-N 3.32Å; S629-R631 VanDerWaalsContact C-N 3.34Å; S629-R631 PolarHBondContact O-N 3.03Å; S629-S632 PolarHBondContact O-N 3.25Å; S629-S632 PolarHBondContact O-OG 2.87Å
630H42.7Very low45.4Very low163 Ų163123.7 Ų123.776%0.75571%0.707SS**G310 helixtrans-75.7-18.1-177.8-77.4-61000114T628T628-H630 PolarHBondContact O-N 3.41Å; T628-H630 VanDerWaalsContact O-N 3.08Å
631R49.1Very low47.6Very low176 Ų176124.2 Ų124.266%0.66471%0.71SS**G310 helixtrans-89.1-6.6174.7-70.7-162.8-171.5-160.14.1115S629S629-R631 VanDerWaalsContact C-N 3.34Å; S629-R631 PolarHBondContact O-N 3.03Å
632S51.8Low50Low84 Ų84122.9 Ų122.959%0.58770%0.698SS**SBendtrans-86-10.2-178.662.10000113.8S629S629-S632 PolarHBondContact O-N 3.25Å; S629-S632 PolarHBondContact O-OG 2.87Å
633F64.2Low53.1Low153 Ų153120.9 Ų120.967%0.67167%0.674SS**  trans-90.9108.8176.2-177.4-96.7000110.3F635F633-F635 AromaticContact CE1-CD1 3.97Å; F633-F635 HydrophobicContact CE1-CD1 3.97Å; F633-F635 AromaticContact CE1-CE1 3.93Å; F633-F635 HydrophobicContact CE1-CE1 3.93Å; F633-F635 HydrophobicContact CE1-CG 4.35Å; F633-F635 HydrophobicContact CE1-CZ 4.27Å; F633-F635 HydrophobicContact CZ-CD1 4.26Å; F633-F635 HydrophobicContact CZ-CE1 4.38Å
634Q64.7Low56.1Low100 Ų100121.1 Ų121.147%0.46766%0.662SS.*  trans-102.4137164.2-161.5177.9-10.700107.6
635F69.5Low59.3Low166 Ų166115.3 Ų115.373%0.72863%0.627SS**  trans-54144.4162.4-69.5-72.9000108.3F633F633-F635 AromaticContact CE1-CD1 3.97Å; F633-F635 HydrophobicContact CE1-CD1 3.97Å; F633-F635 AromaticContact CE1-CE1 3.93Å; F633-F635 HydrophobicContact CE1-CE1 3.93Å; F633-F635 HydrophobicContact CE1-CG 4.35Å; F633-F635 HydrophobicContact CE1-CZ 4.27Å; F633-F635 HydrophobicContact CZ-CD1 4.26Å; F633-F635 HydrophobicContact CZ-CE1 4.38Å
636S66Low62.5Low95 Ų95111.8 Ų111.866%0.66460%0.602SS**  trans-45.4132.2176.3-177.90000108.4D638S636-D638 PolarHBondContact O-N 3.44Å
637P61.2Low65.7Low107 Ų107105.4 Ų105.470%0.69556%0.562SS**  trans-56.1108.6171.522.2-29.7000106.4
638D53.5Low68.7Low133 Ų133103.3 Ų103.371%0.71154%0.54SS*.  trans-62.3162.5171.7-91.5-28.4000108.3S636 D640S636-D638 PolarHBondContact O-N 3.44Å; D638-D640 PolarHBondContact O-N 3.2Å
639T58.9Low71.8Confident151 Ų151100.8 Ų100.893%0.92653%0.525SS*.SBendtrans-57.7-11.117649.50000114.1
640D62.9Low74.9Confident125 Ų12597 Ų9767%0.66850%0.499SS*.SBendtrans-87.5120179.1-133.5-8.4000109.9D638 T642D638-D640 PolarHBondContact O-N 3.2Å; D640-T642 PolarHBondContact O-N 3.03Å
641N76.1Confident77.5Confident167 Ų16789.4 Ų89.489%0.89346%0.463SS*.  trans-67.651.9176-78.4-32.2000111.4K643N641-K643 PolarHBondContact O-N 2.94Å; N641-K643 VanDerWaalsContact O-N 3.11Å
642T82.9Confident79.9Confident60 Ų6081.5 Ų81.537%0.36843%0.434SS..PPolyproline II helixtrans-62.6116.2-178.4-61.20000108.5P516 D640 W644P516-T642 HydrophobicContact CB-CG2 3.74Å; D640-T642 PolarHBondContact O-N 3.03Å; T642-W644 HydrophobicContact CG2-CD2 4.49Å; T642-W644 HydrophobicContact CG2-CZ2 4.29Å; T642-W644 PolarHBondContact O-N 3.06Å
643K89.9Confident82.1Confident94 Ų9477.5 Ų77.541%0.40941%0.406SS..PPolyproline II helixtrans-76.2120.5172.7-174.8178-173.71730109.1S517 E580 N641 L645S517-K643 VanDerWaalsContact CB-O 3.31Å; S517-K643 WeakPolarHBondContact CB-O 3.25Å; S517-K643 PolarHBondContact N-O 3.19Å; E580-K643 WeakPolarHBondContact OE2-CE 3.45Å; E580-K643 IonicContact OE2-NZ 2.74Å; E580-K643 PolarHBondContact OE2-NZ 3.28Å; N641-K643 PolarHBondContact O-N 2.94Å; N641-K643 VanDerWaalsContact O-N 3.11Å; K643-L645 HydrophobicContact CG-CD2 4.37Å
644W93.5Very high83.7Confident116 Ų11670.3 Ų70.344%0.43938%0.375SS..EExtended strand (participates in β ladder)trans-96.9139.2177.8-66.189.7000110.9I514 F515 P516 P608 V609 T642I514-W644 HydrophobicContact CG2-CB 4.29Å; I514-W644 HydrophobicContact CG2-CD2 4.34Å; I514-W644 HydrophobicContact CG2-CE3 3.67Å; I514-W644 HydrophobicContact CG2-CZ3 4.39Å; F515-W644 VanDerWaalsContact C-CE3 3.49Å; P516-W644 HydrophobicContact CB-CZ3 4.46Å; P608-W644 WeakPolarHBondContact CA-O 3.3Å; V609-W644 HydrophobicContact CB-CB 4.28Å; V609-W644 HydrophobicContact CG2-CB 3.92Å; V609-W644 PolarHBondContact N-O 3.17Å; T642-W644 HydrophobicContact CG2-CD2 4.49Å; T642-W644 HydrophobicContact CG2-CZ2 4.29Å; T642-W644 PolarHBondContact O-N 3.06Å
645L96.8Very high85.4Confident0 Ų065.5 Ų65.50%035%0.353CS..EExtended strand (participates in β ladder)trans-120.9157.8-178.3-55.9176.8000110.7I514 F515 E580 V606 V607 K643I514-L645 WeakPolarHBondContact CA-O 3.33Å; F515-L645 HydrophobicContact CD2-CB 4.2Å; F515-L645 HydrophobicContact CE1-CB 4.42Å; F515-L645 HydrophobicContact CE2-CB 3.72Å; F515-L645 HydrophobicContact CE2-CD1 4.05Å; F515-L645 HydrophobicContact CE2-CG 4.46Å; F515-L645 HydrophobicContact CZ-CB 3.85Å; F515-L645 PolarHBondContact N-O 3.32Å; F515-L645 PolarHBondContact O-N 3.2Å; E580-L645 HydrophobicContact CB-CD2 4Å; V606-L645 HydrophobicContact CG1-CB 3.94Å; V606-L645 HydrophobicContact CG1-CD1 3.66Å; V606-L645 HydrophobicContact CG1-CD2 4.46Å; V606-L645 HydrophobicContact CG1-CG 4.23Å; V607-L645 CarbonylContact O-C 3.49Å; V607-L645 VanDerWaalsContact O-CA 3.22Å; V607-L645 WeakPolarHBondContact O-CA 3.26Å; K643-L645 HydrophobicContact CG-CD2 4.37Å
646S97.3Very high86.7Confident27 Ų2757.7 Ų57.719%0.18932%0.318CS..EExtended strand (participates in β ladder)trans-142.8176174.9-176.90000109.1V607V607-S646 PolarHBondContact N-O 2.92Å; V607-S646 PolarHBondContact O-N 3.37Å
647F98Very high88.3Confident14 Ų1455.9 Ų55.96%0.06130%0.297CS..EExtended strand (participates in β ladder)trans-102.6137.2172.9-59.6-68000111.8L510 F515 L524 L578 V584 I586 V604 F605 V606L510-F647 HydrophobicContact CD1-CE2 3.91Å; L510-F647 HydrophobicContact CG-CE2 4.25Å; L510-F647 VanDerWaalsContact O-CD2 3.3Å; L510-F647 WeakPolarHBondContact O-CD2 3.28Å; L510-F647 WeakPolarHBondContact O-CE2 3.36Å; F515-F647 HydrophobicContact CD1-CE2 4.28Å; F515-F647 HydrophobicContact CE1-CD2 4.05Å; F515-F647 HydrophobicContact CE1-CE1 4.09Å; F515-F647 AromaticContact CE1-CE2 3.47Å; F515-F647 HydrophobicContact CE1-CE2 3.47Å; F515-F647 VanDerWaalsContact CE1-CE2 3.47Å; F515-F647 AromaticContact CE1-CZ 3.5Å; F515-F647 HydrophobicContact CE1-CZ 3.5Å; F515-F647 VanDerWaalsContact CE1-CZ 3.5Å; F515-F647 AromaticContact CZ-CE1 3.98Å; F515-F647 HydrophobicContact CZ-CE1 3.98Å; F515-F647 HydrophobicContact CZ-CE2 4.16Å; F515-F647 AromaticContact CZ-CZ 3.7Å; F515-F647 HydrophobicContact CZ-CZ 3.7Å; L524-F647 HydrophobicContact CD1-CE2 4.42Å; L524-F647 HydrophobicContact CD1-CZ 4.02Å; L578-F647 HydrophobicContact CD1-CZ 4.28Å; V584-F647 HydrophobicContact CG2-CD1 4.36Å; V584-F647 HydrophobicContact CG2-CE1 3.91Å; I586-F647 HydrophobicContact CD1-CD2 4.14Å; I586-F647 HydrophobicContact CD1-CG 4.23Å; V604-F647 HydrophobicContact CB-CB 4.09Å; V604-F647 HydrophobicContact CB-CD1 4.33Å; V604-F647 HydrophobicContact CG1-CB 4.45Å; V604-F647 HydrophobicContact CG2-CB 4.06Å; V604-F647 HydrophobicContact CG2-CD1 3.45Å; V604-F647 VanDerWaalsContact CG2-CD1 3.45Å; V604-F647 HydrophobicContact CG2-CE1 4.16Å; V604-F647 HydrophobicContact CG2-CG 3.99Å; F605-F647 CarbonylContact O-C 3.09Å; F605-F647 VanDerWaalsContact O-CA 3.31Å; F605-F647 WeakPolarHBondContact O-CA 3.48Å; V606-F647 HydrophobicContact CG2-CD1 4.2Å; V606-F647 HydrophobicContact CG2-CE1 3.95Å
648E97.9Very high90Very high66 Ų6653.8 Ų53.831%0.30828%0.277SS..EExtended strand (participates in β ladder)trans-110.9119.8168.2176.2-167.9145.200108.3R355 V604 F605 V607 V650R355-E648 IonicContact CZ-OE1 2.65Å; R355-E648 IonicContact NE-OE1 3.48Å; R355-E648 PolarHBondContact NE-OE1 2.92Å; R355-E648 IonicContact NH2-OE1 3.68Å; R355-E648 PolarHBondContact NH2-OE1 3.43Å; R355-E648 IonicContact NH2-OE2 3.79Å; V604-E648 CarbonylContact C-O 3.57Å; V604-E648 WeakPolarHBondContact CA-O 3.24Å; V604-E648 WeakPolarHBondContact CB-O 3.05Å; F605-E648 HydrophobicContact CB-CB 4.34Å; F605-E648 PolarHBondContact N-O 2.8Å; F605-E648 PolarHBondContact O-N 3.26Å; V607-E648 HydrophobicContact CG1-CB 3.91Å; V607-E648 HydrophobicContact CG2-CB 4Å; E648-V650 PolarHBondContact O-N 2.87Å
649P97.8Very high92.1Very high36 Ų3647.5 Ų47.523%0.23424%0.243CC..EExtended strand (participates in β ladder)trans-69.4132.2178.128.8-33.5000111.9Y676P649-Y676 HydrophobicContact CB-CD2 4.05Å; P649-Y676 HydrophobicContact CB-CE2 3.85Å; P649-Y676 HydrophobicContact CG-CD2 3.81Å; P649-Y676 HydrophobicContact CG-CE2 4.12Å
650V97.6Very high94Very high5 Ų540.8 Ų40.83%0.0320%0.202CC..  trans-106.9-34.9179.3-167.30000110.8I354 H358 V603 F605 E648 L652I354-V650 HydrophobicContact CG2-CG1 4.43Å; H358-V650 HydrophobicContact CB-CG1 3.67Å; V603-V650 HydrophobicContact CG1-CB 4.4Å; V603-V650 PolarHBondContact O-N 2.87Å; F605-V650 HydrophobicContact CB-CG2 4.3Å; F605-V650 HydrophobicContact CD1-CG2 3.44Å; F605-V650 VanDerWaalsContact CD1-CG2 3.44Å; F605-V650 HydrophobicContact CD2-CG2 3.66Å; F605-V650 HydrophobicContact CE1-CG1 4.28Å; F605-V650 HydrophobicContact CE1-CG2 3.54Å; F605-V650 HydrophobicContact CE2-CG1 4.33Å; F605-V650 HydrophobicContact CE2-CG2 3.74Å; F605-V650 HydrophobicContact CG-CG2 3.51Å; F605-V650 HydrophobicContact CZ-CG1 3.94Å; F605-V650 HydrophobicContact CZ-CG2 3.69Å; E648-V650 PolarHBondContact O-N 2.87Å; V650-L652 PolarHBondContact O-N 2.85Å
651T98.3Very high95.7Very high2 Ų236 Ų361%0.01218%0.176CC..  trans-68.6122.5169.1-58.10000110V483 N602 V603 V653 Y676V483-T651 HydrophobicContact CB-CG2 3.88Å; V483-T651 HydrophobicContact CG2-CG2 3.52Å; N602-T651 WeakPolarHBondContact OD1-CB 3.32Å; N602-T651 WeakPolarHBondContact OD1-CG2 3.44Å; V603-T651 PolarHBondContact N-OG1 3.35Å; V603-T651 PolarHBondContact O-N 3.27Å; T651-V653 HydrophobicContact CG2-CB 4.43Å; T651-V653 HydrophobicContact CG2-CG2 4.13Å; T651-Y676 WeakPolarHBondContact O-CE2 3.44Å; T651-Y676 PolarHBondContact O-OH 3.42Å
652L98.6Very high96.7Very high10 Ų1030.1 Ų30.15%0.05215%0.148CC..  trans-113.255.6-175-63-177.8000111.9I359 S362 V650 Y676 T679 I680 V683 L684I359-L652 HydrophobicContact CG1-CD1 4.05Å; S362-L652 PolarHBondContact OG-N 3.44Å; V650-L652 PolarHBondContact O-N 2.85Å; L652-Y676 HydrophobicContact CD2-CE2 4.45Å; L652-T679 HydrophobicContact CD2-CG2 4.14Å; L652-I680 HydrophobicContact CB-CG1 4Å; L652-I680 HydrophobicContact CD2-CG1 4.13Å; L652-V683 HydrophobicContact CD1-CB 3.75Å; L652-V683 HydrophobicContact CD1-CG1 3.52Å; L652-V683 HydrophobicContact CD1-CG2 4.26Å; L652-L684 HydrophobicContact CB-CD1 4.49Å; L652-L684 HydrophobicContact CB-CD2 4.2Å; L652-L684 HydrophobicContact CB-CG 4.29Å; L652-L684 HydrophobicContact CD1-CD2 4.26Å; L652-L684 VanDerWaalsContact O-CD1 3.22Å; L652-L684 WeakPolarHBondContact O-CD1 3.49Å
653V98.8Very high97.4Very high0 Ų034.4 Ų34.40%017%0.168CC..  trans-116.3124.4179.8-175.60000109.2L365 L369 V483 R485 T651 F655 Y676L365-V653 HydrophobicContact CB-CG2 4.34Å; L365-V653 HydrophobicContact CD2-CG1 4.23Å; L365-V653 HydrophobicContact CD2-CG2 4.15Å; L365-V653 HydrophobicContact CG-CG1 4.31Å; L365-V653 HydrophobicContact CG-CG2 4.47Å; L369-V653 HydrophobicContact CD1-CG1 4.01Å; V483-V653 HydrophobicContact CG2-CG2 4.37Å; R485-V653 HydrophobicContact CG-CB 4.36Å; R485-V653 HydrophobicContact CG-CG1 3.68Å; R485-V653 VanDerWaalsContact CZ-O 3.24Å; R485-V653 PolarHBondContact NE-O 3.13Å; R485-V653 PolarHBondContact NH2-O 2.82Å; T651-V653 HydrophobicContact CG2-CB 4.43Å; T651-V653 HydrophobicContact CG2-CG2 4.13Å; V653-F655 PolarHBondContact O-N 2.72Å; V653-Y676 PolarHBondContact N-OH 3.1Å; V653-Y676 PolarHBondContact O-OH 2.84Å; V653-Y676 VanDerWaalsContact O-OH 3.08Å
654P98.6Very high97.8Very high2 Ų232 Ų321%0.01316%0.159CC..  trans-59141.6-177.6-23.832.8000112.9R485 I680 W725 Q729 T730R485-P654 PolarHBondContact NE-O 3.31Å; P654-I680 HydrophobicContact CB-CD1 4.49Å; P654-I680 HydrophobicContact CG-CD1 4.22Å; P654-I680 HydrophobicContact CG-CG2 4.02Å; P654-W725 HydrophobicContact CG-CH2 4.37Å; P654-W725 HydrophobicContact CG-CZ3 3.99Å; P654-Q729 HydrophobicContact CB-CB 3.61Å; P654-Q729 HydrophobicContact CB-CG 4.45Å; P654-Q729 HydrophobicContact CG-CB 3.92Å; P654-T730 HydrophobicContact CB-CG2 4.38Å; P654-T730 HydrophobicContact CG-CG2 3.9Å
655F98.8Very high98Very high0 Ų027.2 Ų27.20%014%0.142CC..  trans-70130.9157.1-60.2-62.5000108.3Y500 L504 H507 L600 V653 R657 I660 W672 L673 Y676Y500-F655 WeakPolarHBondContact OH-CA 3.42Å; Y500-F655 WeakPolarHBondContact OH-CB 3.48Å; L504-F655 HydrophobicContact CD1-CB 4.31Å; L504-F655 HydrophobicContact CD1-CD1 3.94Å; L504-F655 HydrophobicContact CD1-CD2 3.51Å; L504-F655 HydrophobicContact CD1-CE1 4.11Å; L504-F655 HydrophobicContact CD1-CE2 3.68Å; L504-F655 HydrophobicContact CD1-CG 3.64Å; L504-F655 HydrophobicContact CD1-CZ 3.98Å; H507-F655 AromaticContact CD2-CZ 3.85Å; H507-F655 AromaticContact NE2-CZ 3.79Å; L600-F655 HydrophobicContact CB-CD1 4.44Å; L600-F655 HydrophobicContact CB-CE1 3.92Å; L600-F655 HydrophobicContact CD1-CD1 4Å; L600-F655 HydrophobicContact CD1-CE1 4.18Å; L600-F655 HydrophobicContact CD2-CD1 3.89Å; L600-F655 HydrophobicContact CD2-CE1 4.17Å; L600-F655 HydrophobicContact CG-CD1 4.34Å; L600-F655 HydrophobicContact CG-CE1 4.32Å; V653-F655 PolarHBondContact O-N 2.72Å; F655-R657 PolarHBondContact O-N 3.24Å; F655-I660 HydrophobicContact CB-CD1 4.16Å; F655-W672 HydrophobicContact CE2-CH2 4.05Å; F655-W672 AromaticContact CE2-CZ3 3.95Å; F655-W672 HydrophobicContact CE2-CZ3 3.95Å; F655-L673 HydrophobicContact CB-CD1 4.45Å; F655-L673 HydrophobicContact CD2-CD1 3.7Å; F655-Y676 AromaticContact CD2-CD1 3.97Å; F655-Y676 HydrophobicContact CD2-CD1 3.97Å; F655-Y676 AromaticContact CD2-CE1 3.82Å; F655-Y676 HydrophobicContact CD2-CE1 3.82Å; F655-Y676 AromaticContact CE2-CD1 3.8Å; F655-Y676 HydrophobicContact CE2-CD1 3.8Å; F655-Y676 AromaticContact CE2-CE1 3.56Å; F655-Y676 HydrophobicContact CE2-CE1 3.56Å; F655-Y676 HydrophobicContact CZ-CE1 4.31Å
656Q98.4Very high98Very high2 Ų230.7 Ų30.71%0.00916%0.164CC..  trans-64.3114.1-170.6-168.6-169.63600111.4E373 I487 H488 Y500 K658 F659E373-Q656 PolarHBondContact OE1-NE2 3.23Å; I487-Q656 HydrophobicContact CB-CB 4.5Å; I487-Q656 HydrophobicContact CG2-CB 4.03Å; I487-Q656 HydrophobicContact CG2-CG 4.4Å; H488-Q656 PolarHBondContact O-NE2 2.81Å; Y500-Q656 PolarHBondContact OH-N 2.82Å; Y500-Q656 VanDerWaalsContact OH-N 3.1Å; Q656-K658 HydrophobicContact CG-CG 4.03Å; Q656-K658 PolarHBondContact O-N 3.31Å; Q656-F659 HydrophobicContact CB-CB 4.27Å; Q656-F659 PolarHBondContact O-N 3.4Å
657R97.8Very high98Very high57 Ų5732.3 Ų32.322%0.21518%0.179CC..G310 helixtrans-56.8-46.9-171.3-177.117117476.91.7112.6F655 F659 I660 R728 E731 S732 F733F655-R657 PolarHBondContact O-N 3.24Å; R657-F659 PolarHBondContact O-N 3.12Å; R657-I660 PolarHBondContact O-N 3.31Å; R657-R728 WeakPolarHBondContact CD-O 3.38Å; R657-E731 VanDerWaalsContact CZ-O 3.3Å; R657-E731 PolarHBondContact NH1-O 2.86Å; R657-S732 PolarHBondContact NH1-O 3.49Å; R657-S732 PolarHBondContact NH2-O 2.73Å; R657-F733 HydrophobicContact CB-CZ 4.34Å; R657-F733 HydrophobicContact CG-CE1 4.02Å; R657-F733 HydrophobicContact CG-CE2 4.24Å; R657-F733 HydrophobicContact CG-CZ 3.6Å; R657-F733 VanDerWaalsContact NH1-CD1 3.29Å
658K96.9Very high97.9Very high63 Ų6334.6 Ų34.627%0.27419%0.191SC..G310 helixtrans-66.4-18.7-178.967.6167.4179.4170.20114.5E373 H488 G490 K497 Q656E373-K658 VanDerWaalsContact OE1-CE 3.25Å; E373-K658 WeakPolarHBondContact OE1-CE 3.31Å; E373-K658 IonicContact OE1-NZ 2.8Å; H488-K658 WeakPolarHBondContact O-CE 3.41Å; H488-K658 PolarHBondContact O-NZ 2.97Å; H488-K658 VanDerWaalsContact O-NZ 3.07Å; G490-K658 PolarHBondContact O-NZ 2.8Å; K497-K658 VanDerWaalsContact CE-O 3.24Å; K497-K658 WeakPolarHBondContact CE-O 3.21Å; K497-K658 PolarHBondContact NZ-O 2.74Å; Q656-K658 HydrophobicContact CG-CG 4.03Å; Q656-K658 PolarHBondContact O-N 3.31Å
659F98.3Very high97.9Very high0 Ų032.4 Ų32.40%018%0.181CC..G310 helixtrans-89.2-7.7-179.7-150176.4000112.7I467 T486 H488 Q496 K497 Y500 Q656 R657I467-F659 HydrophobicContact CD1-CZ 4.22Å; I467-F659 HydrophobicContact CG1-CZ 4.23Å; I467-F659 HydrophobicContact CG2-CE1 4.44Å; T486-F659 HydrophobicContact CG2-CE1 4.4Å; H488-F659 HydrophobicContact CB-CD1 3.9Å; H488-F659 HydrophobicContact CB-CD2 4.37Å; H488-F659 HydrophobicContact CB-CE1 3.88Å; H488-F659 HydrophobicContact CB-CE2 4.33Å; H488-F659 HydrophobicContact CB-CG 4.16Å; H488-F659 HydrophobicContact CB-CZ 4.1Å; Q496-F659 HydrophobicContact CB-CE2 3.68Å; Q496-F659 HydrophobicContact CB-CZ 4.11Å; K497-F659 WeakPolarHBondContact CA-O 3.49Å; K497-F659 HydrophobicContact CG-CD2 4.07Å; Y500-F659 HydrophobicContact CD1-CB 4.08Å; Y500-F659 HydrophobicContact CD1-CG 4.22Å; Y500-F659 WeakPolarHBondContact CD1-O 3.13Å; Y500-F659 HydrophobicContact CD2-CB 4.33Å; Y500-F659 AromaticContact CD2-CD1 3.35Å; Y500-F659 HydrophobicContact CD2-CD1 3.35Å; Y500-F659 AromaticContact CD2-CE1 3.7Å; Y500-F659 HydrophobicContact CD2-CE1 3.7Å; Y500-F659 AromaticContact CD2-CG 3.82Å; Y500-F659 HydrophobicContact CD2-CG 3.82Å; Y500-F659 HydrophobicContact CD2-CZ 4.43Å; Y500-F659 HydrophobicContact CE1-CB 4.26Å; Y500-F659 HydrophobicContact CE2-CB 4.47Å; Y500-F659 AromaticContact CE2-CD1 3.77Å; Y500-F659 HydrophobicContact CE2-CD1 3.77Å; Y500-F659 HydrophobicContact CE2-CE1 4.39Å; Y500-F659 HydrophobicContact CE2-CG 4.33Å; Y500-F659 HydrophobicContact CG-CB 4.13Å; Y500-F659 AromaticContact CG-CD1 3.8Å; Y500-F659 HydrophobicContact CG-CD1 3.8Å; Y500-F659 HydrophobicContact CG-CD2 4.17Å; Y500-F659 HydrophobicContact CG-CE1 4.25Å; Y500-F659 AromaticContact CG-CG 3.75Å; Y500-F659 HydrophobicContact CG-CG 3.75Å; Q656-F659 HydrophobicContact CB-CB 4.27Å; Q656-F659 PolarHBondContact O-N 3.4Å; R657-F659 PolarHBondContact O-N 3.12Å
660I98.6Very high98Very high11 Ų1131.7 Ų31.76%0.05618%0.175CC..  trans-88.8131179.4-62.5168.2000109.3Y500 T501 L504 F655 R657 L665 L673 F733Y500-I660 HydrophobicContact CD1-CG1 3.93Å; Y500-I660 HydrophobicContact CE1-CD1 4.28Å; Y500-I660 HydrophobicContact CE1-CG1 3.52Å; T501-I660 HydrophobicContact CG2-CG2 4.39Å; L504-I660 HydrophobicContact CD2-CD1 3.51Å; L504-I660 HydrophobicContact CD2-CG1 3.76Å; L504-I660 HydrophobicContact CD2-CG2 4.36Å; F655-I660 HydrophobicContact CB-CD1 4.16Å; R657-I660 PolarHBondContact O-N 3.31Å; I660-L665 HydrophobicContact CG2-CD1 3.7Å; I660-L673 HydrophobicContact CD1-CD2 3.86Å; I660-F733 HydrophobicContact CB-CE1 4.49Å; I660-F733 HydrophobicContact CB-CZ 4.16Å; I660-F733 HydrophobicContact CD1-CE2 4.34Å; I660-F733 HydrophobicContact CD1-CZ 3.92Å; I660-F733 HydrophobicContact CG2-CE1 4.38Å; I660-F733 HydrophobicContact CG2-CZ 4.21Å
661N98.3Very high97.9Very high23 Ų2334.8 Ų34.812%0.12319%0.192CC..  trans-89.293.4164.3-176.8-0.2000108.6K497 N498 T501 D663 M664K497-N661 HydrophobicContact CB-CB 4.17Å; N498-N661 PolarHBondContact OD1-ND2 3.04Å; T501-N661 PolarHBondContact OG1-N 2.94Å; N661-D663 PolarHBondContact O-N 3.26Å; N661-D663 VanDerWaalsContact O-N 3.13Å; N661-D663 WeakPolarHBondContact OD1-CB 3.39Å; N661-D663 PolarHBondContact OD1-N 2.85Å; N661-M664 HydrophobicContact CB-CG 4.29Å; N661-M664 HydrophobicContact CB-SD 4.1Å; N661-M664 PolarHBondContact O-N 3.45Å; N661-M664 VanDerWaalsContact O-N 3.1Å
662S97.5Very high97.9Very high45 Ų4536.4 Ų36.432%0.31520%0.198SC..G310 helixtrans-58.2-27.1-17750.80000113.5M664 L665S662-M664 PolarHBondContact O-N 3.48Å; S662-L665 PolarHBondContact O-N 2.81Å
663D97.6Very high97.9Very high149 Ų14935.9 Ų35.980%0.79720%0.195SC*.G310 helixtrans-67.3-17.6-179.3-58.9-20.9000112.7N661N661-D663 PolarHBondContact O-N 3.26Å; N661-D663 VanDerWaalsContact O-N 3.13Å; N661-D663 WeakPolarHBondContact OD1-CB 3.39Å; N661-D663 PolarHBondContact OD1-N 2.85Å
664M97.8Very high97.8Very high44 Ų4436.7 Ų36.722%0.21720%0.199CC..G310 helixtrans-86.2-12.3174.3-66.7178.26400113.4N498 T501 K505 F535 N661 S662N498-M664 HydrophobicContact CB-CE 4.37Å; N498-M664 HydrophobicContact CB-SD 3.83Å; N498-M664 PolarHBondContact OD1-SD 3.47Å; T501-M664 HydrophobicContact CG2-CB 3.87Å; T501-M664 HydrophobicContact CG2-SD 4.35Å; K505-M664 PolarHBondContact NZ-O 2.93Å; F535-M664 HydrophobicContact CZ-CE 4.3Å; N661-M664 HydrophobicContact CB-CG 4.29Å; N661-M664 HydrophobicContact CB-SD 4.1Å; N661-M664 PolarHBondContact O-N 3.45Å; N661-M664 VanDerWaalsContact O-N 3.1Å; S662-M664 PolarHBondContact O-N 3.48Å
665L98.2Very high97.7Very high15 Ų1540.4 Ų40.48%0.07922%0.219CC..SBendtrans-92.9134.5-177.2-62178000110.2T501 K505 I660 S662 E669 L670 L673T501-L665 HydrophobicContact CG2-CD2 3.81Å; T501-L665 HydrophobicContact CG2-CG 4.01Å; K505-L665 HydrophobicContact CD-CD2 4.11Å; K505-L665 HydrophobicContact CG-CD2 3.45Å; K505-L665 VanDerWaalsContact CG-CD2 3.45Å; I660-L665 HydrophobicContact CG2-CD1 3.7Å; S662-L665 PolarHBondContact O-N 2.81Å; L665-E669 WeakPolarHBondContact CA-OE2 3.47Å; L665-E669 HydrophobicContact CB-CB 4.29Å; L665-E669 HydrophobicContact CD2-CB 4.16Å; L665-L670 HydrophobicContact CB-CD1 4.47Å; L665-L670 HydrophobicContact CB-CD2 3.74Å; L665-L670 HydrophobicContact CB-CG 3.7Å; L665-L670 HydrophobicContact CD1-CD2 3.62Å; L665-L670 HydrophobicContact CD1-CG 4.41Å; L665-L670 HydrophobicContact CG-CD2 4.31Å; L665-L673 HydrophobicContact CD1-CD2 4.08Å
666T97.6Very high97.7Very high74 Ų7440.7 Ų40.745%0.45422%0.22SC..  trans-71161.5169.162.20000110.2D668 E669 L670T666-D668 PolarHBondContact O-N 2.98Å; T666-E669 WeakPolarHBondContact CB-OE2 3.34Å; T666-E669 WeakPolarHBondContact CG2-OE2 3.48Å; T666-E669 PolarHBondContact N-OE2 3.5Å; T666-E669 PolarHBondContact O-N 3.41Å; T666-E669 VanDerWaalsContact O-N 3.13Å; T666-E669 VanDerWaalsContact OG1-CD 3.27Å; T666-E669 VanDerWaalsContact OG1-CG 3.26Å; T666-E669 WeakPolarHBondContact OG1-CG 3.48Å; T666-E669 PolarHBondContact OG1-N 2.92Å; T666-E669 PolarHBondContact OG1-OE2 3.26Å; T666-L670 WeakPolarHBondContact O-CG 3.33Å; T666-L670 PolarHBondContact O-N 3.39Å
667A97Very high97.6Very high61 Ų6140.6 Ų40.650%0.50422%0.22SC..Hα-helixtrans-56.5-36.9176.700000112.8N671A667-N671 VanDerWaalsContact O-CB 3.27Å; A667-N671 WeakPolarHBondContact O-CB 3.36Å; A667-N671 PolarHBondContact O-N 3.28Å
668D96Very high97.5Very high61 Ų6140.6 Ų40.633%0.32622%0.221SC..Hα-helixtrans-69.6-38178.3-71.3-29.5000112.3M512 T666 W672M512-D668 HydrophobicContact CE-CB 4.08Å; T666-D668 PolarHBondContact O-N 2.98Å; D668-W672 PolarHBondContact O-N 3.49Å
669E98.2Very high97.4Very high20 Ų2040.5 Ų40.59%0.09323%0.226CC..Hα-helixtrans-68.9-42.1175.6-69.7163.2145.200111.3K505 I508 L665 T666 W672 L673K505-E669 WeakPolarHBondContact CE-OE1 3.36Å; K505-E669 IonicContact NZ-OE1 2.7Å; K505-E669 PolarHBondContact NZ-OE1 3.15Å; K505-E669 IonicContact NZ-OE2 3.65Å; K505-E669 PolarHBondContact NZ-OE2 3.44Å; I508-E669 HydrophobicContact CD1-CB 4.31Å; I508-E669 HydrophobicContact CG2-CB 4.19Å; I508-E669 HydrophobicContact CG2-CG 3.9Å; L665-E669 WeakPolarHBondContact CA-OE2 3.47Å; L665-E669 HydrophobicContact CB-CB 4.29Å; L665-E669 HydrophobicContact CD2-CB 4.16Å; T666-E669 WeakPolarHBondContact CB-OE2 3.34Å; T666-E669 WeakPolarHBondContact CG2-OE2 3.48Å; T666-E669 PolarHBondContact N-OE2 3.5Å; T666-E669 PolarHBondContact O-N 3.41Å; T666-E669 VanDerWaalsContact O-N 3.13Å; T666-E669 VanDerWaalsContact OG1-CD 3.27Å; T666-E669 VanDerWaalsContact OG1-CG 3.26Å; T666-E669 WeakPolarHBondContact OG1-CG 3.48Å; T666-E669 PolarHBondContact OG1-N 2.92Å; T666-E669 PolarHBondContact OG1-OE2 3.26Å; E669-W672 PolarHBondContact O-N 3.25Å; E669-L673 WeakPolarHBondContact O-CB 3.34Å; E669-L673 PolarHBondContact O-N 3.44Å
670L98.3Very high97.3Very high21 Ų2140.5 Ų40.511%0.1123%0.226CC..Hα-helixtrans-60.9-46.2173.9-72.6172.1000111.1L665 T666 W672 L673 D674 F733 L734L665-L670 HydrophobicContact CB-CD1 4.47Å; L665-L670 HydrophobicContact CB-CD2 3.74Å; L665-L670 HydrophobicContact CB-CG 3.7Å; L665-L670 HydrophobicContact CD1-CD2 3.62Å; L665-L670 HydrophobicContact CD1-CG 4.41Å; L665-L670 HydrophobicContact CG-CD2 4.31Å; T666-L670 WeakPolarHBondContact O-CG 3.33Å; T666-L670 PolarHBondContact O-N 3.39Å; L670-W672 PolarHBondContact O-N 2.92Å; L670-L673 WeakPolarHBondContact O-CB 3.49Å; L670-L673 PolarHBondContact O-N 3.46Å; L670-L673 VanDerWaalsContact O-N 3.16Å; L670-D674 WeakPolarHBondContact O-CB 3.29Å; L670-D674 PolarHBondContact O-N 3.12Å; L670-F733 HydrophobicContact CD2-CB 3.75Å; L670-F733 HydrophobicContact CD2-CD1 4.47Å; L670-F733 HydrophobicContact CD2-CD2 4.46Å; L670-F733 HydrophobicContact CD2-CG 4Å; L670-L734 HydrophobicContact CB-CD1 4.3Å; L670-L734 HydrophobicContact CB-CD2 4.21Å; L670-L734 HydrophobicContact CB-CG 4.17Å; L670-L734 HydrophobicContact CD1-CD2 4.02Å
671N97.4Very high97.1Very high70 Ų7041.5 Ų41.537%0.37423%0.229SC..Hα-helixtrans-63.3-39.2177.3178.178.9000112.2A667 L673 N675 L734A667-N671 VanDerWaalsContact O-CB 3.27Å; A667-N671 WeakPolarHBondContact O-CB 3.36Å; A667-N671 PolarHBondContact O-N 3.28Å; N671-L673 VanDerWaalsContact C-N 3.34Å; N671-N675 PolarHBondContact ND2-ND2 3.45Å; N671-N675 VanDerWaalsContact ND2-ND2 3.2Å; N671-N675 WeakPolarHBondContact O-CB 3.38Å; N671-N675 VanDerWaalsContact O-CG 3.29Å; N671-N675 PolarHBondContact O-N 3.48Å; N671-N675 VanDerWaalsContact O-N 3.07Å; N671-N675 PolarHBondContact O-ND2 3.02Å; N671-N675 PolarHBondContact OD1-ND2 2.94Å; N671-L734 HydrophobicContact CB-CD1 4.23Å
672W97.4Very high96.7Very high36 Ų3642.2 Ų42.214%0.13623%0.232CC..Hα-helixtrans-61.8-44.8173-179.993.9000111.3H507 I508 A511 M512 F655 D668 E669 L670 N675 Y676H507-W672 AromaticContact CD2-CH2 3.83Å; H507-W672 AromaticContact NE2-CH2 4Å; I508-W672 HydrophobicContact CB-CE3 4.3Å; I508-W672 HydrophobicContact CD1-CE3 3.9Å; I508-W672 HydrophobicContact CD1-CZ3 4.17Å; I508-W672 HydrophobicContact CG1-CD2 4.28Å; I508-W672 HydrophobicContact CG1-CE3 3.5Å; I508-W672 VanDerWaalsContact CG1-CE3 3.5Å; I508-W672 HydrophobicContact CG1-CH2 4.35Å; I508-W672 HydrophobicContact CG1-CZ3 3.54Å; I508-W672 HydrophobicContact CG2-CB 4.32Å; I508-W672 HydrophobicContact CG2-CD2 4.12Å; I508-W672 HydrophobicContact CG2-CE3 4.11Å; I508-W672 HydrophobicContact CG2-CG 4.23Å; A511-W672 HydrophobicContact CB-CH2 4.27Å; A511-W672 HydrophobicContact CB-CZ2 3.47Å; A511-W672 VanDerWaalsContact CB-CZ2 3.47Å; M512-W672 HydrophobicContact CG-CB 4.16Å; M512-W672 VanDerWaalsContact CG-CD1 3.41Å; M512-W672 HydrophobicContact CG-CG 3.78Å; M512-W672 HydrophobicContact SD-CB 3.96Å; M512-W672 HydrophobicContact SD-CG 4.19Å; F655-W672 HydrophobicContact CE2-CH2 4.05Å; F655-W672 AromaticContact CE2-CZ3 3.95Å; F655-W672 HydrophobicContact CE2-CZ3 3.95Å; D668-W672 PolarHBondContact O-N 3.49Å; E669-W672 PolarHBondContact O-N 3.25Å; L670-W672 PolarHBondContact O-N 2.92Å; W672-N675 PolarHBondContact O-N 3.5Å; W672-Y676 HydrophobicContact CH2-CD1 4.46Å; W672-Y676 HydrophobicContact CH2-CG 4.34Å; W672-Y676 HydrophobicContact CZ3-CD1 4.44Å; W672-Y676 PolarHBondContact O-N 3.03Å
673L98.3Very high96.6Very high0 Ų042.3 Ų42.30%023%0.23CC..Hα-helixtrans-63.7-46.8-178.8179.861.6000111.9L504 F655 I660 L665 E669 L670 N671 N675 Y676 H677 F733L504-L673 HydrophobicContact CD2-CD2 4.24Å; F655-L673 HydrophobicContact CB-CD1 4.45Å; F655-L673 HydrophobicContact CD2-CD1 3.7Å; I660-L673 HydrophobicContact CD1-CD2 3.86Å; L665-L673 HydrophobicContact CD1-CD2 4.08Å; E669-L673 WeakPolarHBondContact O-CB 3.34Å; E669-L673 PolarHBondContact O-N 3.44Å; L670-L673 WeakPolarHBondContact O-CB 3.49Å; L670-L673 PolarHBondContact O-N 3.46Å; L670-L673 VanDerWaalsContact O-N 3.16Å; N671-L673 VanDerWaalsContact C-N 3.34Å; L673-N675 VanDerWaalsContact C-N 3.32Å; L673-N675 PolarHBondContact O-N 2.7Å; L673-Y676 PolarHBondContact O-N 3.19Å; L673-H677 WeakPolarHBondContact CD1-NE2 3.46Å; L673-H677 WeakPolarHBondContact O-CB 3.29Å; L673-H677 PolarHBondContact O-N 2.92Å; L673-F733 HydrophobicContact CD2-CD2 3.79Å; L673-F733 HydrophobicContact CD2-CE2 3.38Å; L673-F733 HydrophobicContact CD2-CZ 4.14Å; L673-F733 HydrophobicContact CG-CD2 4.36Å; L673-F733 HydrophobicContact CG-CE2 4.1Å
674D97.3Very high96.5Very high17 Ų1735.2 Ų35.29%0.09119%0.192CC..Hα-helixtrans-63.8-37.5177.9-75-23.3000111.5L670 H677 K678 S732 F733 L734L670-D674 WeakPolarHBondContact O-CB 3.29Å; L670-D674 PolarHBondContact O-N 3.12Å; D674-H677 PolarHBondContact O-N 3.34Å; D674-K678 VanDerWaalsContact O-CB 3.29Å; D674-K678 WeakPolarHBondContact O-CB 3.39Å; D674-K678 PolarHBondContact O-N 2.97Å; D674-S732 WeakPolarHBondContact OD1-CA 3.24Å; D674-S732 PolarHBondContact OD2-OG 3.47Å; D674-F733 WeakPolarHBondContact OD1-CD2 3.46Å; D674-F733 PolarHBondContact OD1-N 3.48Å; D674-F733 PolarHBondContact OD2-N 3.19Å; D674-L734 WeakPolarHBondContact OD2-CG 3.38Å; D674-L734 PolarHBondContact OD2-N 2.88Å
675N96.2Very high96.3Very high79 Ų7933.1 Ų33.142%0.42218%0.182SC..Hα-helixtrans-66.3-44.5174.2-77.2-50.2000112N671 W672 L673 H677 K678 T679N671-N675 PolarHBondContact ND2-ND2 3.45Å; N671-N675 VanDerWaalsContact ND2-ND2 3.2Å; N671-N675 WeakPolarHBondContact O-CB 3.38Å; N671-N675 VanDerWaalsContact O-CG 3.29Å; N671-N675 PolarHBondContact O-N 3.48Å; N671-N675 VanDerWaalsContact O-N 3.07Å; N671-N675 PolarHBondContact O-ND2 3.02Å; N671-N675 PolarHBondContact OD1-ND2 2.94Å; W672-N675 PolarHBondContact O-N 3.5Å; L673-N675 VanDerWaalsContact C-N 3.32Å; L673-N675 PolarHBondContact O-N 2.7Å; N675-H677 PolarHBondContact O-N 3.27Å; N675-K678 WeakPolarHBondContact O-CB 3.39Å; N675-K678 PolarHBondContact O-N 3.18Å; N675-T679 PolarHBondContact O-N 3.24Å; N675-T679 PolarHBondContact O-OG1 2.73Å
676Y98Very high95.9Very high6 Ų634.5 Ų34.52%0.02419%0.19CC..Hα-helixtrans-59.3-46.6174.7173.7-119.2000111.5R485 N602 P649 T651 L652 V653 F655 W672 L673 K678 T679 I680R485-Y676 PolarHBondContact NH2-OH 2.97Å; R485-Y676 VanDerWaalsContact NH2-OH 3.14Å; N602-Y676 PolarHBondContact ND2-OH 2.96Å; N602-Y676 PolarHBondContact OD1-OH 3.16Å; P649-Y676 HydrophobicContact CB-CD2 4.05Å; P649-Y676 HydrophobicContact CB-CE2 3.85Å; P649-Y676 HydrophobicContact CG-CD2 3.81Å; P649-Y676 HydrophobicContact CG-CE2 4.12Å; T651-Y676 WeakPolarHBondContact O-CE2 3.44Å; T651-Y676 PolarHBondContact O-OH 3.42Å; L652-Y676 HydrophobicContact CD2-CE2 4.45Å; V653-Y676 PolarHBondContact N-OH 3.1Å; V653-Y676 PolarHBondContact O-OH 2.84Å; V653-Y676 VanDerWaalsContact O-OH 3.08Å; F655-Y676 AromaticContact CD2-CD1 3.97Å; F655-Y676 HydrophobicContact CD2-CD1 3.97Å; F655-Y676 AromaticContact CD2-CE1 3.82Å; F655-Y676 HydrophobicContact CD2-CE1 3.82Å; F655-Y676 AromaticContact CE2-CD1 3.8Å; F655-Y676 HydrophobicContact CE2-CD1 3.8Å; F655-Y676 AromaticContact CE2-CE1 3.56Å; F655-Y676 HydrophobicContact CE2-CE1 3.56Å; F655-Y676 HydrophobicContact CZ-CE1 4.31Å; W672-Y676 HydrophobicContact CH2-CD1 4.46Å; W672-Y676 HydrophobicContact CH2-CG 4.34Å; W672-Y676 HydrophobicContact CZ3-CD1 4.44Å; W672-Y676 PolarHBondContact O-N 3.03Å; L673-Y676 PolarHBondContact O-N 3.19Å; Y676-K678 PolarHBondContact O-N 3.35Å; Y676-T679 PolarHBondContact O-N 2.92Å; Y676-I680 HydrophobicContact CD1-CD1 3.83Å; Y676-I680 HydrophobicContact CD2-CD1 4.32Å; Y676-I680 HydrophobicContact CE1-CD1 3.39Å; Y676-I680 HydrophobicContact CE1-CG1 4.48Å; Y676-I680 HydrophobicContact CE2-CD1 3.94Å; Y676-I680 HydrophobicContact CE2-CG1 4.19Å; Y676-I680 HydrophobicContact CG-CD1 4.28Å; Y676-I680 VanDerWaalsContact CZ-CD1 3.46Å; Y676-I680 WeakPolarHBondContact O-CG1 3.5Å; Y676-I680 PolarHBondContact O-N 2.81Å
677H97.4Very high95.8Very high0 Ų032.8 Ų32.80%018%0.175CC..Hα-helixtrans-64.3-37.8176.7-79.5-166.2000112.7L673 D674 N675 I680 R681 Q729 T730L673-H677 WeakPolarHBondContact CD1-NE2 3.46Å; L673-H677 WeakPolarHBondContact O-CB 3.29Å; L673-H677 PolarHBondContact O-N 2.92Å; D674-H677 PolarHBondContact O-N 3.34Å; N675-H677 PolarHBondContact O-N 3.27Å; H677-I680 PolarHBondContact O-N 2.88Å; H677-R681 PolarHBondContact O-N 3.06Å; H677-Q729 PolarHBondContact CE1-O 2.95Å; H677-Q729 PolarHBondContact ND1-O 3.49Å; H677-Q729 VanDerWaalsContact ND1-O 3.12Å; H677-T730 HydrophobicContact CB-CG2 3.97Å; H677-T730 WeakPolarHBondContact O-CB 3.06Å; H677-T730 WeakPolarHBondContact O-CG2 3.45Å
678K94.5Very high95.6Very high58 Ų5829.9 Ų29.925%0.25215%0.151SC..Hα-helixtrans-59.3-48.5172.4-177.1179.4-176.8-179.50110.9D674 N675 Y676 I680 R681 Q682 D700D674-K678 VanDerWaalsContact O-CB 3.29Å; D674-K678 WeakPolarHBondContact O-CB 3.39Å; D674-K678 PolarHBondContact O-N 2.97Å; N675-K678 WeakPolarHBondContact O-CB 3.39Å; N675-K678 PolarHBondContact O-N 3.18Å; Y676-K678 PolarHBondContact O-N 3.35Å; K678-I680 VanDerWaalsContact C-N 3.34Å; K678-I680 PolarHBondContact O-N 3.35Å; K678-R681 PolarHBondContact O-N 3.19Å; K678-Q682 VanDerWaalsContact CE-NE2 3.33Å; K678-Q682 HydrophobicContact CG-CG 4.45Å; K678-Q682 WeakPolarHBondContact O-CG 3.45Å; K678-Q682 PolarHBondContact O-N 3.48Å; K678-D700 PolarHBondContact NZ-O 3.01Å; K678-D700 IonicContact NZ-OD1 3.78Å
679T95.2Very high95.3Very high61 Ų6127 Ų2737%0.37414%0.135SC..Hα-helixtrans-59.1-44.5176.9-58.50000111.6L652 N675 Y676 R681 Q682 V683L652-T679 HydrophobicContact CD2-CG2 4.14Å; N675-T679 PolarHBondContact O-N 3.24Å; N675-T679 PolarHBondContact O-OG1 2.73Å; Y676-T679 PolarHBondContact O-N 2.92Å; T679-R681 PolarHBondContact O-N 3.13Å; T679-Q682 PolarHBondContact O-N 3.1Å; T679-V683 HydrophobicContact CG2-CG2 4.17Å; T679-V683 WeakPolarHBondContact O-CB 3.48Å; T679-V683 WeakPolarHBondContact O-CG2 3.49Å; T679-V683 PolarHBondContact O-N 3.36Å
680I96.9Very high95Very high0 Ų031 Ų310%015%0.154CC..Hα-helixtrans-56.9-51.3175.7-67.5162.9000110.7L652 P654 Y676 H677 K678 Q682 V683 L684 I726 T730L652-I680 HydrophobicContact CB-CG1 4Å; L652-I680 HydrophobicContact CD2-CG1 4.13Å; P654-I680 HydrophobicContact CB-CD1 4.49Å; P654-I680 HydrophobicContact CG-CD1 4.22Å; P654-I680 HydrophobicContact CG-CG2 4.02Å; Y676-I680 HydrophobicContact CD1-CD1 3.83Å; Y676-I680 HydrophobicContact CD2-CD1 4.32Å; Y676-I680 HydrophobicContact CE1-CD1 3.39Å; Y676-I680 HydrophobicContact CE1-CG1 4.48Å; Y676-I680 HydrophobicContact CE2-CD1 3.94Å; Y676-I680 HydrophobicContact CE2-CG1 4.19Å; Y676-I680 HydrophobicContact CG-CD1 4.28Å; Y676-I680 VanDerWaalsContact CZ-CD1 3.46Å; Y676-I680 WeakPolarHBondContact O-CG1 3.5Å; Y676-I680 PolarHBondContact O-N 2.81Å; H677-I680 PolarHBondContact O-N 2.88Å; K678-I680 VanDerWaalsContact C-N 3.34Å; K678-I680 PolarHBondContact O-N 3.35Å; I680-Q682 PolarHBondContact O-N 3.41Å; I680-V683 PolarHBondContact O-N 3.29Å; I680-L684 HydrophobicContact CG2-CD1 3.93Å; I680-L684 HydrophobicContact CG2-CG 4.12Å; I680-L684 WeakPolarHBondContact O-CB 3.5Å; I680-L684 PolarHBondContact O-N 2.93Å; I680-I726 HydrophobicContact CG2-CG2 4.28Å; I680-T730 HydrophobicContact CB-CG2 4.18Å; I680-T730 HydrophobicContact CG2-CG2 4.09Å
681R93.5Very high94.4Very high32 Ų3233.8 Ų33.812%0.12117%0.166CC..Hα-helixtrans-57.5-50.2-179.8178.4172.957.7-103.43.4110.8H677 K678 T679 C685 M708 L727 T730H677-R681 PolarHBondContact O-N 3.06Å; K678-R681 PolarHBondContact O-N 3.19Å; T679-R681 PolarHBondContact O-N 3.13Å; R681-C685 WeakPolarHBondContact O-CB 3.26Å; R681-C685 PolarHBondContact O-N 3.24Å; R681-C685 VanDerWaalsContact O-N 3.11Å; R681-C685 PolarHBondContact O-SG 2.97Å; R681-M708 HydrophobicContact CG-CE 4.06Å; R681-M708 HydrophobicContact CG-SD 4.27Å; R681-L727 HydrophobicContact CG-CD2 3.97Å; R681-T730 PolarHBondContact NH1-O 3.04Å; R681-T730 PolarHBondContact NH1-OG1 3.07Å
682Q91.5Very high93.8Very high38 Ų3833 Ų3318%0.17816%0.164CC..Hα-helixtrans-60.5-50.3-179-72176.8-33.700111.6K678 T679 I680 N686 D700K678-Q682 VanDerWaalsContact CE-NE2 3.33Å; K678-Q682 HydrophobicContact CG-CG 4.45Å; K678-Q682 WeakPolarHBondContact O-CG 3.45Å; K678-Q682 PolarHBondContact O-N 3.48Å; T679-Q682 PolarHBondContact O-N 3.1Å; I680-Q682 PolarHBondContact O-N 3.41Å; Q682-N686 WeakPolarHBondContact O-CB 3.27Å; Q682-N686 PolarHBondContact O-N 2.87Å; Q682-N686 PolarHBondContact O-ND2 3.25Å; Q682-D700 PolarHBondContact NE2-OD1 3.28Å
683V94.7Very high93.1Very high47 Ų4738.9 Ų38.929%0.28520%0.198SC..Hα-helixtrans-74.7-50-173.1177.10000112I359 L652 T679 I680 R687I359-V683 HydrophobicContact CD1-CG1 3.69Å; I359-V683 HydrophobicContact CG1-CG1 3.76Å; I359-V683 HydrophobicContact CG2-CG1 3.95Å; L652-V683 HydrophobicContact CD1-CB 3.75Å; L652-V683 HydrophobicContact CD1-CG1 3.52Å; L652-V683 HydrophobicContact CD1-CG2 4.26Å; T679-V683 HydrophobicContact CG2-CG2 4.17Å; T679-V683 WeakPolarHBondContact O-CB 3.48Å; T679-V683 WeakPolarHBondContact O-CG2 3.49Å; T679-V683 PolarHBondContact O-N 3.36Å; I680-V683 PolarHBondContact O-N 3.29Å; V683-R687 PolarHBondContact O-N 2.96Å
684L95.3Very high92.2Very high0 Ų040.6 Ų40.60%021%0.207CC..Hα-helixtrans-72.8-38-175.3-64.3-161.5000112.6I359 L363 L652 I680 N686 R687 I688 I726I359-L684 HydrophobicContact CG2-CD2 3.85Å; L363-L684 HydrophobicContact CB-CD2 4.5Å; L652-L684 HydrophobicContact CB-CD1 4.49Å; L652-L684 HydrophobicContact CB-CD2 4.2Å; L652-L684 HydrophobicContact CB-CG 4.29Å; L652-L684 HydrophobicContact CD1-CD2 4.26Å; L652-L684 VanDerWaalsContact O-CD1 3.22Å; L652-L684 WeakPolarHBondContact O-CD1 3.49Å; I680-L684 HydrophobicContact CG2-CD1 3.93Å; I680-L684 HydrophobicContact CG2-CG 4.12Å; I680-L684 WeakPolarHBondContact O-CB 3.5Å; I680-L684 PolarHBondContact O-N 2.93Å; L684-N686 VanDerWaalsContact C-N 3.34Å; L684-R687 WeakPolarHBondContact O-CB 3.36Å; L684-R687 PolarHBondContact O-N 3.4Å; L684-I688 WeakPolarHBondContact O-CG1 3.45Å; L684-I688 PolarHBondContact O-N 3.21Å; L684-I726 HydrophobicContact CB-CD1 4.03Å; L684-I726 HydrophobicContact CD1-CD1 4.08Å
685C92.6Very high91.1Very high0 Ų048.4 Ų48.40%024%0.243CC..Hα-helixtrans-67-40.3177.1-57.90000110.6R681 R687 I688 Y689 M708 L723R681-C685 WeakPolarHBondContact O-CB 3.26Å; R681-C685 PolarHBondContact O-N 3.24Å; R681-C685 VanDerWaalsContact O-N 3.11Å; R681-C685 PolarHBondContact O-SG 2.97Å; C685-R687 VanDerWaalsContact C-N 3.31Å; C685-R687 PolarHBondContact O-N 3.46Å; C685-I688 PolarHBondContact O-N 3Å; C685-Y689 VanDerWaalsContact O-CD2 3.28Å; C685-Y689 WeakPolarHBondContact O-CD2 3.48Å; C685-Y689 PolarHBondContact O-N 3.23Å; C685-Y689 VanDerWaalsContact O-N 3.1Å; C685-M708 HydrophobicContact CB-CE 3.47Å; C685-M708 VanDerWaalsContact CB-CE 3.47Å; C685-M708 HydrophobicContact CB-CG 4.49Å; C685-M708 HydrophobicContact CB-SD 3.54Å; C685-M708 VanDerWaalsContact CB-SD 3.54Å; C685-L723 HydrophobicContact CB-CD1 3.77Å; C685-L723 WeakPolarHBondContact SG-CD1 3.44Å
686N91.8Very high89.9Confident44 Ų4445.7 Ų45.724%0.23523%0.228CC..Hα-helixtrans-57.4-44.3171-82.2-24.2000111.8Q682 L684 I688 Y689 Q690 L696 I698Q682-N686 WeakPolarHBondContact O-CB 3.27Å; Q682-N686 PolarHBondContact O-N 2.87Å; Q682-N686 PolarHBondContact O-ND2 3.25Å; L684-N686 VanDerWaalsContact C-N 3.34Å; N686-I688 PolarHBondContact O-N 2.87Å; N686-Y689 PolarHBondContact O-N 3.1Å; N686-Q690 VanDerWaalsContact O-CG 3.27Å; N686-Q690 WeakPolarHBondContact O-CG 3.03Å; N686-Q690 PolarHBondContact O-N 2.95Å; N686-L696 WeakPolarHBondContact OD1-CB 3.36Å; N686-I698 WeakPolarHBondContact OD1-CD1 2.78Å
687R93.4Very high88.5Confident38 Ų3849.8 Ų49.814%0.14326%0.258CS..Hα-helixtrans-60-43.9176.8-179.960.365.581-3.1112.2E356 I359 T360 L363 V683 L684 C685 Y689 Q690 E691E356-R687 IonicContact OE2-NH2 2.75Å; E356-R687 PolarHBondContact OE2-NH2 3.42Å; I359-R687 HydrophobicContact CG2-CB 4.18Å; I359-R687 HydrophobicContact CG2-CG 4.17Å; T360-R687 PolarHBondContact OG1-NH1 3.2Å; L363-R687 HydrophobicContact CD2-CG 3.9Å; V683-R687 PolarHBondContact O-N 2.96Å; L684-R687 WeakPolarHBondContact O-CB 3.36Å; L684-R687 PolarHBondContact O-N 3.4Å; C685-R687 VanDerWaalsContact C-N 3.31Å; C685-R687 PolarHBondContact O-N 3.46Å; R687-Y689 VanDerWaalsContact C-N 3.31Å; R687-Y689 PolarHBondContact O-N 3.29Å; R687-Q690 PolarHBondContact O-N 3.04Å; R687-E691 PolarHBondContact O-N 3.43Å
688I93.8Very high86.8Confident0 Ų051.2 Ų51.20%027%0.265CS..Hα-helixtrans-58.4-43.1176.7-69.9170.3000111.1L363 L684 C685 N686 E691 L715 R719 L723 I726L363-I688 HydrophobicContact CD1-CD1 3.79Å; L363-I688 HydrophobicContact CD1-CG1 3.67Å; L363-I688 HydrophobicContact CD2-CG1 4.07Å; L684-I688 WeakPolarHBondContact O-CG1 3.45Å; L684-I688 PolarHBondContact O-N 3.21Å; C685-I688 PolarHBondContact O-N 3Å; N686-I688 PolarHBondContact O-N 2.87Å; I688-E691 WeakPolarHBondContact O-CB 3.2Å; I688-E691 PolarHBondContact O-N 2.95Å; I688-L715 HydrophobicContact CG2-CD1 3.77Å; I688-L715 HydrophobicContact CG2-CD2 3.86Å; I688-L715 HydrophobicContact CG2-CG 4.47Å; I688-R719 HydrophobicContact CG2-CB 4.11Å; I688-R719 HydrophobicContact CG2-CG 4.43Å; I688-L723 HydrophobicContact CD1-CB 4.2Å; I688-L723 HydrophobicContact CD1-CD1 4.32Å; I688-I726 HydrophobicContact CD1-CD1 4.03Å
689Y90.7Very high85Confident0 Ų054.6 Ų54.60%029%0.286CS..Hα-helixtrans-74.1-30.9-180-81.2-67.6000113.7C685 N686 R687 E691 V692 N693 I694 L696 M708 N711 M712 L715 L723C685-Y689 VanDerWaalsContact O-CD2 3.28Å; C685-Y689 WeakPolarHBondContact O-CD2 3.48Å; C685-Y689 PolarHBondContact O-N 3.23Å; C685-Y689 VanDerWaalsContact O-N 3.1Å; N686-Y689 PolarHBondContact O-N 3.1Å; R687-Y689 VanDerWaalsContact C-N 3.31Å; R687-Y689 PolarHBondContact O-N 3.29Å; Y689-E691 VanDerWaalsContact C-N 3.26Å; Y689-E691 PolarHBondContact O-N 2.94Å; Y689-V692 HydrophobicContact CD1-CG2 4.24Å; Y689-V692 CarbonylContact O-C 3.56Å; Y689-V692 WeakPolarHBondContact O-CG2 3.4Å; Y689-V692 PolarHBondContact O-N 3.38Å; Y689-V692 VanDerWaalsContact O-N 3.1Å; Y689-N693 PolarHBondContact O-N 3.46Å; Y689-I694 CarbonylContact C-O 3.21Å; Y689-I694 WeakPolarHBondContact CB-O 3.47Å; Y689-I694 HydrophobicContact CD1-CB 4.06Å; Y689-I694 HydrophobicContact CD1-CD1 4.15Å; Y689-I694 HydrophobicContact CD1-CG2 4.07Å; Y689-I694 HydrophobicContact CG-CG2 4.48Å; Y689-I694 PolarHBondContact O-N 3.08Å; Y689-L696 HydrophobicContact CD1-CD2 4.48Å; Y689-L696 HydrophobicContact CD2-CD1 3.26Å; Y689-L696 HydrophobicContact CD2-CD2 4.05Å; Y689-L696 HydrophobicContact CD2-CG 3.77Å; Y689-L696 HydrophobicContact CE2-CD1 3.76Å; Y689-L696 HydrophobicContact CE2-CD2 4.38Å; Y689-L696 HydrophobicContact CE2-CG 4.45Å; Y689-L696 HydrophobicContact CG-CD1 3.97Å; Y689-L696 HydrophobicContact CG-CD2 4.09Å; Y689-L696 HydrophobicContact CG-CG 3.94Å; Y689-M708 HydrophobicContact CE2-CB 4.41Å; Y689-M708 HydrophobicContact CE2-CG 4.4Å; Y689-M708 PolarHBondContact OH-O 3.36Å; Y689-N711 HydrophobicContact CD1-CB 4.3Å; Y689-N711 HydrophobicContact CE1-CB 3.51Å; Y689-M712 WeakPolarHBondContact OH-CA 3.42Å; Y689-M712 PolarHBondContact OH-N 2.7Å; Y689-L715 HydrophobicContact CD1-CD2 4.13Å; Y689-L715 HydrophobicContact CE1-CD1 3.93Å; Y689-L715 HydrophobicContact CE1-CD2 4.01Å; Y689-L715 HydrophobicContact CE1-CG 4Å; Y689-L723 HydrophobicContact CE2-CD1 4.35Å; Y689-L723 HydrophobicContact CE2-CD2 3.98Å; Y689-L723 WeakPolarHBondContact OH-CD2 3.28Å
690Q90Very high83.1Confident104 Ų10457.1 Ų57.149%0.48630%0.297SS..Hα-helixtrans-61.4-33.2172.3-74.6169.5-3.500112.3N686 R687 V692 N693N686-Q690 VanDerWaalsContact O-CG 3.27Å; N686-Q690 WeakPolarHBondContact O-CG 3.03Å; N686-Q690 PolarHBondContact O-N 2.95Å; R687-Q690 PolarHBondContact O-N 3.04Å; Q690-V692 PolarHBondContact O-N 3.11Å; Q690-N693 PolarHBondContact O-N 2.88Å
691E86.2Confident80.9Confident79 Ų7963.4 Ų63.437%0.36933%0.331SS..THydrogen-bonded Turntrans-61.4-23.1175.5-66.7178.4173.200113.1L404 R687 I688 Y689 R719L404-E691 WeakPolarHBondContact CD2-OE2 3.27Å; R687-E691 PolarHBondContact O-N 3.43Å; I688-E691 WeakPolarHBondContact O-CB 3.2Å; I688-E691 PolarHBondContact O-N 2.95Å; Y689-E691 VanDerWaalsContact C-N 3.26Å; Y689-E691 PolarHBondContact O-N 2.94Å; E691-R719 IonicContact OE1-CZ 3.54Å; E691-R719 IonicContact OE1-NE 3.47Å; E691-R719 IonicContact OE1-NH2 3.3Å; E691-R719 PolarHBondContact OE1-NH2 3.24Å; E691-R719 IonicContact OE2-CZ 3.59Å; E691-R719 IonicContact OE2-NE 2.81Å; E691-R719 PolarHBondContact OE2-NE 3.45Å; E691-R719 IonicContact OE2-NH2 3.72Å; E691-R719 PolarHBondContact OE2-NH2 2.97Å
692V84.3Confident79.1Confident54 Ų5467.4 Ų67.433%0.32736%0.364SS..THydrogen-bonded Turntrans-109.118.6175.9-63.10000113.1Y689 Q690 I694 L715Y689-V692 HydrophobicContact CD1-CG2 4.24Å; Y689-V692 CarbonylContact O-C 3.56Å; Y689-V692 WeakPolarHBondContact O-CG2 3.4Å; Y689-V692 PolarHBondContact O-N 3.38Å; Y689-V692 VanDerWaalsContact O-N 3.1Å; Q690-V692 PolarHBondContact O-N 3.11Å; V692-I694 HydrophobicContact CG2-CB 4.3Å; V692-I694 HydrophobicContact CG2-CD1 3.87Å; V692-I694 HydrophobicContact CG2-CG1 4.01Å; V692-I694 PolarHBondContact O-N 2.93Å; V692-L715 HydrophobicContact CG1-CD2 4.07Å; V692-L715 HydrophobicContact CG2-CD2 3.75Å
693N83.2Confident77.3Confident159 Ų15970.6 Ų70.685%0.8538%0.382SS*.THydrogen-bonded Turntrans59.327.3-178.9-56.5-61.9000114.9Y689 Q690Y689-N693 PolarHBondContact O-N 3.46Å; Q690-N693 PolarHBondContact O-N 2.88Å
694I80.1Confident76.1Confident37 Ų3768.8 Ų68.819%0.1937%0.371CS..  trans-100.6120.1172.6-63.2174.6000108Y689 V692 L696 M714Y689-I694 CarbonylContact C-O 3.21Å; Y689-I694 WeakPolarHBondContact CB-O 3.47Å; Y689-I694 HydrophobicContact CD1-CB 4.06Å; Y689-I694 HydrophobicContact CD1-CD1 4.15Å; Y689-I694 HydrophobicContact CD1-CG2 4.07Å; Y689-I694 HydrophobicContact CG-CG2 4.48Å; Y689-I694 PolarHBondContact O-N 3.08Å; V692-I694 HydrophobicContact CG2-CB 4.3Å; V692-I694 HydrophobicContact CG2-CD1 3.87Å; V692-I694 HydrophobicContact CG2-CG1 4.01Å; V692-I694 PolarHBondContact O-N 2.93Å; I694-L696 HydrophobicContact CG2-CD2 4.03Å; I694-M714 HydrophobicContact CD1-CB 4.13Å; I694-M714 HydrophobicContact CD1-CG 4.13Å
695Q74.7Confident74.8Confident181 Ų18172.4 Ų72.485%0.84639%0.388SS*.  trans-91.3115.4167.1-77.5179.6-29.700108.5
696L71.1Confident73.9Confident21 Ų2179.5 Ų79.511%0.1142%0.421CS..  trans-78.7126.9169.6-59.3-178.4000109.1N686 Y689 I694 I698 I707 M708N686-L696 WeakPolarHBondContact OD1-CB 3.36Å; Y689-L696 HydrophobicContact CD1-CD2 4.48Å; Y689-L696 HydrophobicContact CD2-CD1 3.26Å; Y689-L696 HydrophobicContact CD2-CD2 4.05Å; Y689-L696 HydrophobicContact CD2-CG 3.77Å; Y689-L696 HydrophobicContact CE2-CD1 3.76Å; Y689-L696 HydrophobicContact CE2-CD2 4.38Å; Y689-L696 HydrophobicContact CE2-CG 4.45Å; Y689-L696 HydrophobicContact CG-CD1 3.97Å; Y689-L696 HydrophobicContact CG-CD2 4.09Å; Y689-L696 HydrophobicContact CG-CG 3.94Å; I694-L696 HydrophobicContact CG2-CD2 4.03Å; L696-I698 VanDerWaalsContact C-N 3.27Å; L696-I698 HydrophobicContact CB-CD1 4.06Å; L696-I698 HydrophobicContact CB-CG1 3.56Å; L696-I698 HydrophobicContact CD1-CD1 3.87Å; L696-I698 HydrophobicContact CD1-CG1 4.16Å; L696-I698 PolarHBondContact O-N 2.7Å; L696-I698 VanDerWaalsContact O-N 3.15Å; L696-I707 HydrophobicContact CD2-CG2 4.07Å; L696-M708 HydrophobicContact CD1-CE 4.45Å; L696-M708 HydrophobicContact CD1-CG 3.8Å
697S68.2Low73.1Confident92 Ų9280.2 Ų80.264%0.64342%0.424SS*.  trans-8376.116558.20000108.9N699S697-N699 PolarHBondContact O-N 3.44Å
698I61.8Low72.3Confident31 Ų3178.4 Ų78.416%0.15942%0.417CS..  trans-81.1114.2176-53.3-173.8000107.8N686 L696 D704 M708N686-I698 WeakPolarHBondContact OD1-CD1 2.78Å; L696-I698 VanDerWaalsContact C-N 3.27Å; L696-I698 HydrophobicContact CB-CD1 4.06Å; L696-I698 HydrophobicContact CB-CG1 3.56Å; L696-I698 HydrophobicContact CD1-CD1 3.87Å; L696-I698 HydrophobicContact CD1-CG1 4.16Å; L696-I698 PolarHBondContact O-N 2.7Å; L696-I698 VanDerWaalsContact O-N 3.15Å; I698-D704 HydrophobicContact CG2-CB 4.43Å; I698-D704 VanDerWaalsContact CG2-CG 3.49Å; I698-D704 WeakPolarHBondContact CG2-OD1 3.06Å; I698-M708 HydrophobicContact CD1-CE 3.32Å; I698-M708 HydrophobicContact CG1-CE 4.45Å
699N56.4Low71.6Confident129 Ų12982.4 Ų82.469%0.6944%0.438SS*.  trans-95.4158.1167.4-72.6-24.8000108.9S697 D701S697-N699 PolarHBondContact O-N 3.44Å; N699-D701 PolarHBondContact O-N 3.36Å
700D55.8Low71Confident114 Ų11486.2 Ų86.261%0.6147%0.465SS*.SBendtrans-61.6-2.3-168.7-87.8-41.1000118K678 Q682K678-D700 PolarHBondContact NZ-O 3.01Å; K678-D700 IonicContact NZ-OD1 3.78Å; Q682-D700 PolarHBondContact NE2-OD1 3.28Å
701D49.6Very low70.6Confident131 Ų13183.6 Ų83.670%0.70145%0.454SS*.SBendtrans-109.2167.6-170.9-71.3-34.7000113.4N699 D703N699-D701 PolarHBondContact O-N 3.36Å; D701-D703 PolarHBondContact O-N 3.28Å
702S55.5Low70.5Confident117 Ų11781.8 Ų81.882%0.81845%0.446SS*.THydrogen-bonded Turntrans-48.6-3.5-165.356.20000120D704S702-D704 VanDerWaalsContact C-N 3.33Å; S702-D704 PolarHBondContact O-N 2.7Å
703D54.7Low70.6Confident104 Ų10483 Ų8356%0.55646%0.457SS*.THydrogen-bonded Turntrans-85.5-0.3-176.8-70.6-11.1000113.8D701 Q705 E706 I707D701-D703 PolarHBondContact O-N 3.28Å; D703-Q705 PolarHBondContact O-N 3.03Å; D703-E706 PolarHBondContact O-N 3.29Å; D703-I707 WeakPolarHBondContact O-CG1 3.33Å; D703-I707 PolarHBondContact O-N 3.23Å
704D68Low70.8Confident10 Ų1081.3 Ų81.35%0.05345%0.445CS..Hα-helixtrans-52.9-48.4-177.7-70.1-5000113.8I698 S702 M708I698-D704 HydrophobicContact CG2-CB 4.43Å; I698-D704 VanDerWaalsContact CG2-CG 3.49Å; I698-D704 WeakPolarHBondContact CG2-OD1 3.06Å; S702-D704 VanDerWaalsContact C-N 3.33Å; S702-D704 PolarHBondContact O-N 2.7Å; D704-M708 WeakPolarHBondContact O-CB 3.36Å; D704-M708 WeakPolarHBondContact O-CG 3.44Å; D704-M708 PolarHBondContact O-N 2.96Å
705Q69.7Low71.3Confident76 Ų7679.8 Ų79.836%0.35544%0.438SS..Hα-helixtrans-70.4-38-171.6-72.9-171-17.100112.3D703 M708 L709 L727D703-Q705 PolarHBondContact O-N 3.03Å; Q705-M708 PolarHBondContact O-N 3.43Å; Q705-L709 WeakPolarHBondContact O-CB 3.49Å; Q705-L709 VanDerWaalsContact O-CG 3.24Å; Q705-L709 WeakPolarHBondContact O-CG 3.43Å; Q705-L709 PolarHBondContact O-N 2.81Å; Q705-L727 HydrophobicContact CG-CD2 4.33Å
706E72.9Confident72Confident149 Ų14973.5 Ų73.570%0.69641%0.413SS*.Hα-helixtrans-68.3-42.9-178.5-170173.6-179.200111.1D703 M708 L709 S710D703-E706 PolarHBondContact O-N 3.29Å; E706-M708 VanDerWaalsContact C-N 3.33Å; E706-M708 PolarHBondContact O-N 3.35Å; E706-L709 PolarHBondContact O-N 3.29Å; E706-S710 WeakPolarHBondContact O-CB 3.29Å; E706-S710 PolarHBondContact O-N 3.19Å; E706-S710 PolarHBondContact O-OG 3Å
707I74.8Confident73Confident59 Ų5976.8 Ų76.830%0.30344%0.438SS..Hα-helixtrans-61.8-44174.5-61.2173.6000110.2L696 D703 S710 N711L696-I707 HydrophobicContact CD2-CG2 4.07Å; D703-I707 WeakPolarHBondContact O-CG1 3.33Å; D703-I707 PolarHBondContact O-N 3.23Å; I707-S710 PolarHBondContact O-OG 3.48Å; I707-N711 PolarHBondContact O-ND2 2.92Å
708M77Confident74.1Confident0 Ų072.6 Ų72.60%041%0.409CS..Hα-helixtrans-64.6-37.4176.5-73-178.9-169.900112.6R681 C685 Y689 L696 I698 D704 Q705 E706 L727R681-M708 HydrophobicContact CG-CE 4.06Å; R681-M708 HydrophobicContact CG-SD 4.27Å; C685-M708 HydrophobicContact CB-CE 3.47Å; C685-M708 VanDerWaalsContact CB-CE 3.47Å; C685-M708 HydrophobicContact CB-CG 4.49Å; C685-M708 HydrophobicContact CB-SD 3.54Å; C685-M708 VanDerWaalsContact CB-SD 3.54Å; Y689-M708 HydrophobicContact CE2-CB 4.41Å; Y689-M708 HydrophobicContact CE2-CG 4.4Å; Y689-M708 PolarHBondContact OH-O 3.36Å; L696-M708 HydrophobicContact CD1-CE 4.45Å; L696-M708 HydrophobicContact CD1-CG 3.8Å; I698-M708 HydrophobicContact CD1-CE 3.32Å; I698-M708 HydrophobicContact CG1-CE 4.45Å; D704-M708 WeakPolarHBondContact O-CB 3.36Å; D704-M708 WeakPolarHBondContact O-CG 3.44Å; D704-M708 PolarHBondContact O-N 2.96Å; Q705-M708 PolarHBondContact O-N 3.43Å; E706-M708 VanDerWaalsContact C-N 3.33Å; E706-M708 PolarHBondContact O-N 3.35Å; M708-L727 HydrophobicContact SD-CD2 3.75Å
709L78.2Confident75.7Confident83 Ų8372.1 Ų72.144%0.43541%0.405SS..Hα-helixtrans-76.4-34.4-179.1-72170.6000112.3Q705 E706 N711 M712 L727Q705-L709 WeakPolarHBondContact O-CB 3.49Å; Q705-L709 VanDerWaalsContact O-CG 3.24Å; Q705-L709 WeakPolarHBondContact O-CG 3.43Å; Q705-L709 PolarHBondContact O-N 2.81Å; E706-L709 PolarHBondContact O-N 3.29Å; L709-N711 VanDerWaalsContact C-N 3.32Å; L709-N711 PolarHBondContact O-N 2.98Å; L709-M712 HydrophobicContact CD2-SD 4.21Å; L709-M712 WeakPolarHBondContact O-CB 3.37Å; L709-M712 PolarHBondContact O-N 3.27Å; L709-L727 HydrophobicContact CD2-CD1 4.14Å; L709-L727 HydrophobicContact CG-CD1 4.47Å
710S79Confident77.5Confident80 Ų8068.8 Ų68.856%0.55938%0.384SS*.Hα-helixtrans-63.2-34.5-179.8660000113.5E706 I707E706-S710 WeakPolarHBondContact O-CB 3.29Å; E706-S710 PolarHBondContact O-N 3.19Å; E706-S710 PolarHBondContact O-OG 3Å; I707-S710 PolarHBondContact O-OG 3.48Å
711N81.1Confident79.3Confident50 Ų5064.8 Ų64.827%0.26736%0.361SS..THydrogen-bonded Turntrans-87.2-4.9179.8-70.2-75.1000113.8Y689 I707 L709 S713 M714Y689-N711 HydrophobicContact CD1-CB 4.3Å; Y689-N711 HydrophobicContact CE1-CB 3.51Å; I707-N711 PolarHBondContact O-ND2 2.92Å; L709-N711 VanDerWaalsContact C-N 3.32Å; L709-N711 PolarHBondContact O-N 2.98Å; N711-S713 PolarHBondContact O-N 3.4Å; N711-S713 VanDerWaalsContact O-N 3.1Å; N711-M714 PolarHBondContact O-N 3.28Å
712M85.3Confident81.6Confident41 Ų4158.5 Ų58.520%0.20233%0.327CS..G310 helixtrans-60.7-29.4-170.6-174.9173.472.500113Y689 L709 M714 L715 K720 L723 Q724Y689-M712 WeakPolarHBondContact OH-CA 3.42Å; Y689-M712 PolarHBondContact OH-N 2.7Å; L709-M712 HydrophobicContact CD2-SD 4.21Å; L709-M712 WeakPolarHBondContact O-CB 3.37Å; L709-M712 PolarHBondContact O-N 3.27Å; M712-M714 PolarHBondContact O-N 3.07Å; M712-M714 VanDerWaalsContact O-N 3.11Å; M712-L715 WeakPolarHBondContact O-CB 3.47Å; M712-L715 PolarHBondContact O-N 2.84Å; M712-K720 HydrophobicContact CG-CB 4.39Å; M712-K720 HydrophobicContact CG-CD 4.41Å; M712-K720 HydrophobicContact CG-CG 3.79Å; M712-K720 WeakPolarHBondContact O-CE 3.45Å; M712-L723 HydrophobicContact CG-CD2 4.33Å; M712-Q724 HydrophobicContact SD-CG 3.86Å
713S86.2Confident83.5Confident78 Ų7853 Ų5355%0.54529%0.288SS..G310 helixtrans-56.1-29.6-178.663.50000113.8N711 L715 K720N711-S713 PolarHBondContact O-N 3.4Å; N711-S713 VanDerWaalsContact O-N 3.1Å; S713-L715 VanDerWaalsContact C-N 3.32Å; S713-L715 PolarHBondContact O-N 2.75Å; S713-K720 PolarHBondContact O-NZ 3.25Å
714M86.5Confident85.4Confident124 Ų12452.5 Ų52.561%0.61128%0.283SS*.G310 helixtrans-75.4-16.4-179.7-60.3-63.9107.400113.9I694 N711 M712I694-M714 HydrophobicContact CD1-CB 4.13Å; I694-M714 HydrophobicContact CD1-CG 4.13Å; N711-M714 PolarHBondContact O-N 3.28Å; M712-M714 PolarHBondContact O-N 3.07Å; M712-M714 VanDerWaalsContact O-N 3.11Å
715L90.8Very high86.8Confident6 Ų652.2 Ų52.23%0.03128%0.281CS..SBendtrans-81.8150.8-177.5-59.8178.4000111.8I688 Y689 V692 M712 S713 R719 K720 L723I688-L715 HydrophobicContact CG2-CD1 3.77Å; I688-L715 HydrophobicContact CG2-CD2 3.86Å; I688-L715 HydrophobicContact CG2-CG 4.47Å; Y689-L715 HydrophobicContact CD1-CD2 4.13Å; Y689-L715 HydrophobicContact CE1-CD1 3.93Å; Y689-L715 HydrophobicContact CE1-CD2 4.01Å; Y689-L715 HydrophobicContact CE1-CG 4Å; V692-L715 HydrophobicContact CG1-CD2 4.07Å; V692-L715 HydrophobicContact CG2-CD2 3.75Å; M712-L715 WeakPolarHBondContact O-CB 3.47Å; M712-L715 PolarHBondContact O-N 2.84Å; S713-L715 VanDerWaalsContact C-N 3.32Å; S713-L715 PolarHBondContact O-N 2.75Å; L715-R719 HydrophobicContact CB-CB 4.1Å; L715-K720 HydrophobicContact CB-CG 3.81Å; L715-K720 WeakPolarHBondContact O-CE 3.37Å; L715-K720 PolarHBondContact O-NZ 2.54Å; L715-L723 HydrophobicContact CD1-CD2 3.71Å
716S90.4Very high88.1Confident48 Ų4848.6 Ų48.634%0.33626%0.264SS..  trans-62.3159168.571.70000111S718 R719 K720S716-S718 VanDerWaalsContact C-N 3.26Å; S716-S718 PolarHBondContact O-N 3.4Å; S716-R719 PolarHBondContact O-N 3.45Å; S716-R719 VanDerWaalsContact O-N 3.12Å; S716-R719 PolarHBondContact OG-N 3.42Å; S716-K720 WeakPolarHBondContact O-CG 3.18Å; S716-K720 PolarHBondContact O-N 3.1Å
717S90.9Very high89.2Confident90 Ų9042 Ų4263%0.62923%0.234SC*.Hα-helixtrans-56.8-39.1178.7-53.50000112.8K720 R721S717-K720 PolarHBondContact O-N 3.2Å; S717-R721 PolarHBondContact O-N 2.76Å
718S92.6Very high90.2Very high4 Ų444.3 Ų44.33%0.02824%0.239CC..Hα-helixtrans-61.4-47.4175.5-159.70000111.7D367 G401 S716 R721 C722D367-S718 PolarHBondContact OD1-OG 3.23Å; D367-S718 PolarHBondContact OD2-OG 3.3Å; G401-S718 PolarHBondContact O-OG 2.91Å; S716-S718 VanDerWaalsContact C-N 3.26Å; S716-S718 PolarHBondContact O-N 3.4Å; S718-R721 PolarHBondContact O-N 3.22Å; S718-R721 PolarHBondContact OG-NH2 3.43Å; S718-C722 WeakPolarHBondContact O-CB 3.4Å; S718-C722 PolarHBondContact O-N 2.86Å
719R93.6Very high91.1Very high21 Ų2144.5 Ų44.58%0.07924%0.24CC..Hα-helixtrans-70.4-33.4179.5-71-57.1-171.6-133.810.2113.3D367 I688 E691 L715 S716 C722 L723D367-R719 IonicContact OD2-NH1 3.42Å; D367-R719 PolarHBondContact OD2-NH1 3.11Å; I688-R719 HydrophobicContact CG2-CB 4.11Å; I688-R719 HydrophobicContact CG2-CG 4.43Å; E691-R719 IonicContact OE1-CZ 3.54Å; E691-R719 IonicContact OE1-NE 3.47Å; E691-R719 IonicContact OE1-NH2 3.3Å; E691-R719 PolarHBondContact OE1-NH2 3.24Å; E691-R719 IonicContact OE2-CZ 3.59Å; E691-R719 IonicContact OE2-NE 2.81Å; E691-R719 PolarHBondContact OE2-NE 3.45Å; E691-R719 IonicContact OE2-NH2 3.72Å; E691-R719 PolarHBondContact OE2-NH2 2.97Å; L715-R719 HydrophobicContact CB-CB 4.1Å; S716-R719 PolarHBondContact O-N 3.45Å; S716-R719 VanDerWaalsContact O-N 3.12Å; S716-R719 PolarHBondContact OG-N 3.42Å; R719-C722 PolarHBondContact O-N 3.36Å; R719-L723 WeakPolarHBondContact O-CB 3.41Å; R719-L723 PolarHBondContact O-N 3.31Å
720K94.2Very high92Very high59 Ų5940.7 Ų40.726%0.25722%0.22SC..Hα-helixtrans-59-49.6170.1-71.1174.91721440111M712 S713 L715 S716 S717 L723 Q724M712-K720 HydrophobicContact CG-CB 4.39Å; M712-K720 HydrophobicContact CG-CD 4.41Å; M712-K720 HydrophobicContact CG-CG 3.79Å; M712-K720 WeakPolarHBondContact O-CE 3.45Å; S713-K720 PolarHBondContact O-NZ 3.25Å; L715-K720 HydrophobicContact CB-CG 3.81Å; L715-K720 WeakPolarHBondContact O-CE 3.37Å; L715-K720 PolarHBondContact O-NZ 2.54Å; S716-K720 WeakPolarHBondContact O-CG 3.18Å; S716-K720 PolarHBondContact O-N 3.1Å; S717-K720 PolarHBondContact O-N 3.2Å; K720-L723 PolarHBondContact O-N 3.2Å; K720-Q724 WeakPolarHBondContact O-CB 3.47Å; K720-Q724 VanDerWaalsContact O-CG 3.27Å; K720-Q724 WeakPolarHBondContact O-CG 3.27Å; K720-Q724 PolarHBondContact O-N 3.22Å
721R95.2Very high92.7Very high30 Ų3041 Ų4111%0.11321%0.212CC..Hα-helixtrans-59.3-49177.6-178.3-17565.2-120.8-8.5111.5D367 A370 N400 G401 S717 S718 Q724 W725D367-R721 IonicContact OD1-CZ 2.81Å; D367-R721 IonicContact OD1-NH2 3.43Å; D367-R721 PolarHBondContact OD1-NH2 3.25Å; A370-R721 HydrophobicContact CB-CG 4.48Å; N400-R721 PolarHBondContact O-NH1 3.34Å; N400-R721 PolarHBondContact OD1-NH1 2.9Å; G401-R721 PolarHBondContact O-NH1 3.37Å; G401-R721 VanDerWaalsContact O-NH1 3.13Å; G401-R721 PolarHBondContact O-NH2 3.22Å; G401-R721 VanDerWaalsContact O-NH2 3.1Å; S717-R721 PolarHBondContact O-N 2.76Å; S718-R721 PolarHBondContact O-N 3.22Å; S718-R721 PolarHBondContact OG-NH2 3.43Å; R721-Q724 PolarHBondContact O-N 2.98Å; R721-W725 WeakPolarHBondContact O-CB 3.43Å; R721-W725 PolarHBondContact O-N 3.26Å
722C96.6Very high93.3Very high0 Ų041.7 Ų41.70%022%0.221CC..Hα-helixtrans-60.8-48.2177.9-175.90000112D367 S718 R719 Q724 W725 I726D367-C722 HydrophobicContact CB-CB 4.19Å; S718-C722 WeakPolarHBondContact O-CB 3.4Å; S718-C722 PolarHBondContact O-N 2.86Å; R719-C722 PolarHBondContact O-N 3.36Å; C722-Q724 PolarHBondContact O-N 2.86Å; C722-W725 WeakPolarHBondContact O-CB 3.46Å; C722-W725 PolarHBondContact O-N 3.35Å; C722-I726 WeakPolarHBondContact O-CG1 3Å; C722-I726 PolarHBondContact O-N 2.87Å
723L95.4Very high93.7Very high0 Ų041.8 Ų41.80%022%0.22CC..Hα-helixtrans-57.8-51.3177.6179.169.6000111.5C685 I688 Y689 M712 L715 R719 K720 W725 I726 L727C685-L723 HydrophobicContact CB-CD1 3.77Å; C685-L723 WeakPolarHBondContact SG-CD1 3.44Å; I688-L723 HydrophobicContact CD1-CB 4.2Å; I688-L723 HydrophobicContact CD1-CD1 4.32Å; Y689-L723 HydrophobicContact CE2-CD1 4.35Å; Y689-L723 HydrophobicContact CE2-CD2 3.98Å; Y689-L723 WeakPolarHBondContact OH-CD2 3.28Å; M712-L723 HydrophobicContact CG-CD2 4.33Å; L715-L723 HydrophobicContact CD1-CD2 3.71Å; R719-L723 WeakPolarHBondContact O-CB 3.41Å; R719-L723 PolarHBondContact O-N 3.31Å; K720-L723 PolarHBondContact O-N 3.2Å; L723-W725 VanDerWaalsContact C-N 3.28Å; L723-W725 PolarHBondContact O-N 2.79Å; L723-I726 PolarHBondContact O-N 2.71Å; L723-L727 HydrophobicContact CG-CD1 4.34Å; L723-L727 WeakPolarHBondContact O-CG 3.2Å; L723-L727 PolarHBondContact O-N 3.17Å
724Q95Very high93.8Very high95 Ų9545 Ų4544%0.44423%0.231SC..Hα-helixtrans-60.7-38.6179.2-73.1175.2-34.300112.2M712 K720 R721 C722 R728M712-Q724 HydrophobicContact SD-CG 3.86Å; K720-Q724 WeakPolarHBondContact O-CB 3.47Å; K720-Q724 VanDerWaalsContact O-CG 3.27Å; K720-Q724 WeakPolarHBondContact O-CG 3.27Å; K720-Q724 PolarHBondContact O-N 3.22Å; R721-Q724 PolarHBondContact O-N 2.98Å; C722-Q724 PolarHBondContact O-N 2.86Å; Q724-R728 PolarHBondContact O-N 2.87Å; Q724-R728 VanDerWaalsContact O-N 3.08Å
725W97.4Very high94.1Very high4 Ų441.1 Ų41.12%0.01521%0.212CC..Hα-helixtrans-64-48.5175.2-175.591.3000111.5C366 L369 A370 E373 P654 R721 C722 L723 L727 R728 Q729C366-W725 HydrophobicContact CB-CE3 4.35Å; C366-W725 HydrophobicContact CB-CZ3 3.99Å; L369-W725 HydrophobicContact CB-CH2 3.93Å; L369-W725 HydrophobicContact CB-CZ2 3.78Å; L369-W725 HydrophobicContact CD1-CH2 4.09Å; L369-W725 HydrophobicContact CD1-CZ2 4.48Å; A370-W725 HydrophobicContact CB-CB 3.38Å; A370-W725 HydrophobicContact CB-CD2 3.82Å; A370-W725 HydrophobicContact CB-CE3 4.3Å; A370-W725 HydrophobicContact CB-CG 3.4Å; E373-W725 PolarHBondContact OE2-NE1 2.98Å; P654-W725 HydrophobicContact CG-CH2 4.37Å; P654-W725 HydrophobicContact CG-CZ3 3.99Å; R721-W725 WeakPolarHBondContact O-CB 3.43Å; R721-W725 PolarHBondContact O-N 3.26Å; C722-W725 WeakPolarHBondContact O-CB 3.46Å; C722-W725 PolarHBondContact O-N 3.35Å; L723-W725 VanDerWaalsContact C-N 3.28Å; L723-W725 PolarHBondContact O-N 2.79Å; W725-L727 VanDerWaalsContact C-N 3.32Å; W725-L727 PolarHBondContact O-N 3.49Å; W725-R728 VanDerWaalsContact CD1-NH2 3.25Å; W725-R728 PolarHBondContact O-N 2.92Å; W725-Q729 HydrophobicContact CD2-CG 3.73Å; W725-Q729 HydrophobicContact CE3-CG 4.04Å; W725-Q729 HydrophobicContact CG-CG 4.33Å; W725-Q729 HydrophobicContact CH2-CG 3.98Å; W725-Q729 HydrophobicContact CZ2-CG 3.66Å; W725-Q729 HydrophobicContact CZ3-CG 4.15Å; W725-Q729 VanDerWaalsContact O-CG 3.29Å; W725-Q729 WeakPolarHBondContact O-CG 3.21Å; W725-Q729 PolarHBondContact O-N 3.08Å
726I97.3Very high94.3Very high0 Ų042.9 Ų42.90%022%0.221CC..Hα-helixtrans-57.3-46.8176.9-68.8166.6000110.6L363 C366 I680 L684 I688 C722 L723 R728 Q729 T730L363-I726 HydrophobicContact CD1-CD1 4.39Å; C366-I726 HydrophobicContact CB-CD1 4.19Å; C366-I726 HydrophobicContact CB-CG1 4.23Å; I680-I726 HydrophobicContact CG2-CG2 4.28Å; L684-I726 HydrophobicContact CB-CD1 4.03Å; L684-I726 HydrophobicContact CD1-CD1 4.08Å; I688-I726 HydrophobicContact CD1-CD1 4.03Å; C722-I726 WeakPolarHBondContact O-CG1 3Å; C722-I726 PolarHBondContact O-N 2.87Å; L723-I726 PolarHBondContact O-N 2.71Å; I726-R728 PolarHBondContact O-N 3.36Å; I726-Q729 PolarHBondContact O-N 2.99Å; I726-T730 HydrophobicContact CG2-CG2 4.26Å; I726-T730 WeakPolarHBondContact O-CB 3.46Å; I726-T730 VanDerWaalsContact O-CG2 3.29Å; I726-T730 WeakPolarHBondContact O-CG2 3.41Å; I726-T730 PolarHBondContact O-N 3.37Å; I726-T730 PolarHBondContact O-OG1 3.4Å
727L95.2Very high94.5Very high11 Ų1142.6 Ų42.66%0.05822%0.215CC..Hα-helixtrans-57-49.6178.7-70.2178.6000111.5R681 Q705 M708 L709 L723 W725 Q729 T730 E731R681-L727 HydrophobicContact CG-CD2 3.97Å; Q705-L727 HydrophobicContact CG-CD2 4.33Å; M708-L727 HydrophobicContact SD-CD2 3.75Å; L709-L727 HydrophobicContact CD2-CD1 4.14Å; L709-L727 HydrophobicContact CG-CD1 4.47Å; L723-L727 HydrophobicContact CG-CD1 4.34Å; L723-L727 WeakPolarHBondContact O-CG 3.2Å; L723-L727 PolarHBondContact O-N 3.17Å; W725-L727 VanDerWaalsContact C-N 3.32Å; W725-L727 PolarHBondContact O-N 3.49Å; L727-Q729 PolarHBondContact O-N 3.15Å; L727-T730 PolarHBondContact O-N 3.47Å; L727-T730 PolarHBondContact O-OG1 3.33Å; L727-E731 PolarHBondContact O-N 3.46Å
728R95.6Very high94.7Very high107 Ų10739.8 Ų39.840%0.40419%0.19SC..Hα-helixtrans-62.1-42.5178179.1177.363.8-134.16.5112.8E373 R657 Q724 W725 I726 T730E373-R728 IonicContact OE2-CZ 3.65Å; E373-R728 IonicContact OE2-NH2 3.68Å; E373-R728 PolarHBondContact OE2-NH2 3.21Å; R657-R728 WeakPolarHBondContact CD-O 3.38Å; Q724-R728 PolarHBondContact O-N 2.87Å; Q724-R728 VanDerWaalsContact O-N 3.08Å; W725-R728 VanDerWaalsContact CD1-NH2 3.25Å; W725-R728 PolarHBondContact O-N 2.92Å; I726-R728 PolarHBondContact O-N 3.36Å; R728-T730 PolarHBondContact O-N 3.36Å
729Q97.4Very high94.9Very high4 Ų442.1 Ų42.12%0.01920%0.201CC..Hα-helixtrans-72.8-18.8-178.3-63.3-57.8-26.800113E373 P654 H677 W725 I726 L727E373-Q729 PolarHBondContact OE2-NE2 2.78Å; P654-Q729 HydrophobicContact CB-CB 3.61Å; P654-Q729 HydrophobicContact CB-CG 4.45Å; P654-Q729 HydrophobicContact CG-CB 3.92Å; H677-Q729 PolarHBondContact CE1-O 2.95Å; H677-Q729 PolarHBondContact ND1-O 3.49Å; H677-Q729 VanDerWaalsContact ND1-O 3.12Å; W725-Q729 HydrophobicContact CD2-CG 3.73Å; W725-Q729 HydrophobicContact CE3-CG 4.04Å; W725-Q729 HydrophobicContact CG-CG 4.33Å; W725-Q729 HydrophobicContact CH2-CG 3.98Å; W725-Q729 HydrophobicContact CZ2-CG 3.66Å; W725-Q729 HydrophobicContact CZ3-CG 4.15Å; W725-Q729 VanDerWaalsContact O-CG 3.29Å; W725-Q729 WeakPolarHBondContact O-CG 3.21Å; W725-Q729 PolarHBondContact O-N 3.08Å; I726-Q729 PolarHBondContact O-N 2.99Å; L727-Q729 PolarHBondContact O-N 3.15Å
730T96.3Very high94.9Very high2 Ų243.5 Ų43.51%0.01221%0.209CC..THydrogen-bonded Turntrans-109.98-174.760.70000114.4P654 H677 I680 R681 I726 L727 R728P654-T730 HydrophobicContact CB-CG2 4.38Å; P654-T730 HydrophobicContact CG-CG2 3.9Å; H677-T730 HydrophobicContact CB-CG2 3.97Å; H677-T730 WeakPolarHBondContact O-CB 3.06Å; H677-T730 WeakPolarHBondContact O-CG2 3.45Å; I680-T730 HydrophobicContact CB-CG2 4.18Å; I680-T730 HydrophobicContact CG2-CG2 4.09Å; R681-T730 PolarHBondContact NH1-O 3.04Å; R681-T730 PolarHBondContact NH1-OG1 3.07Å; I726-T730 HydrophobicContact CG2-CG2 4.26Å; I726-T730 WeakPolarHBondContact O-CB 3.46Å; I726-T730 VanDerWaalsContact O-CG2 3.29Å; I726-T730 WeakPolarHBondContact O-CG2 3.41Å; I726-T730 PolarHBondContact O-N 3.37Å; I726-T730 PolarHBondContact O-OG1 3.4Å; L727-T730 PolarHBondContact O-N 3.47Å; L727-T730 PolarHBondContact O-OG1 3.33Å; R728-T730 PolarHBondContact O-N 3.36Å
731E93.9Very high95Very high86 Ų8642.4 Ų42.440%0.40221%0.205SC..  trans-55.4144.9170.8-76.3175.5-171.500111.1R657 L727R657-E731 VanDerWaalsContact CZ-O 3.3Å; R657-E731 PolarHBondContact NH1-O 2.86Å; L727-E731 PolarHBondContact O-N 3.46Å
732S93.4Very high95Very high65 Ų6543.3 Ų43.346%0.45521%0.212SC..  trans-62.6137.6177.7-1740000111.1R657 D674 L734R657-S732 PolarHBondContact NH1-O 3.49Å; R657-S732 PolarHBondContact NH2-O 2.73Å; D674-S732 WeakPolarHBondContact OD1-CA 3.24Å; D674-S732 PolarHBondContact OD2-OG 3.47Å; S732-L734 WeakPolarHBondContact CB-O 3.02Å; S732-L734 PolarHBondContact OG-N 3.13Å; S732-L734 PolarHBondContact OG-O 3.37Å
733F92.7Very high94.8Very high43 Ų4346.9 Ų46.919%0.18923%0.23CC..  trans-79.3-27.3165.1-72.8-86.5000112.5R657 I660 L670 L673 D674R657-F733 HydrophobicContact CB-CZ 4.34Å; R657-F733 HydrophobicContact CG-CE1 4.02Å; R657-F733 HydrophobicContact CG-CE2 4.24Å; R657-F733 HydrophobicContact CG-CZ 3.6Å; R657-F733 VanDerWaalsContact NH1-CD1 3.29Å; I660-F733 HydrophobicContact CB-CE1 4.49Å; I660-F733 HydrophobicContact CB-CZ 4.16Å; I660-F733 HydrophobicContact CD1-CE2 4.34Å; I660-F733 HydrophobicContact CD1-CZ 3.92Å; I660-F733 HydrophobicContact CG2-CE1 4.38Å; I660-F733 HydrophobicContact CG2-CZ 4.21Å; L670-F733 HydrophobicContact CD2-CB 3.75Å; L670-F733 HydrophobicContact CD2-CD1 4.47Å; L670-F733 HydrophobicContact CD2-CD2 4.46Å; L670-F733 HydrophobicContact CD2-CG 4Å; L673-F733 HydrophobicContact CD2-CD2 3.79Å; L673-F733 HydrophobicContact CD2-CE2 3.38Å; L673-F733 HydrophobicContact CD2-CZ 4.14Å; L673-F733 HydrophobicContact CG-CD2 4.36Å; L673-F733 HydrophobicContact CG-CE2 4.1Å; D674-F733 WeakPolarHBondContact OD1-CD2 3.46Å; D674-F733 PolarHBondContact OD1-N 3.48Å; D674-F733 PolarHBondContact OD2-N 3.19Å
734L88.4Confident94.8Very high146 Ų14651.2 Ų51.276%0.76425%0.251SS*.  trans-890179.6-64.6174.5000113.4L670 N671 D674 S732L670-L734 HydrophobicContact CB-CD1 4.3Å; L670-L734 HydrophobicContact CB-CD2 4.21Å; L670-L734 HydrophobicContact CB-CG 4.17Å; L670-L734 HydrophobicContact CD1-CD2 4.02Å; N671-L734 HydrophobicContact CB-CD1 4.23Å; D674-L734 WeakPolarHBondContact OD2-CG 3.38Å; D674-L734 PolarHBondContact OD2-N 2.88Å; S732-L734 WeakPolarHBondContact CB-O 3.02Å; S732-L734 PolarHBondContact OG-N 3.13Å; S732-L734 PolarHBondContact OG-O 3.37Å

Retrieved 734 of 734 residues in 250.8 ms (Link to these results)

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