A0A077ZAQ6_TRITR Loading...

Chloride channel CLIC-like protein 1

AlphaFold DB , UniProt , Accession A0A077ZAQ6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 733 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
1M55.8Low73.6Confident97 Ų9777.1 Ų77.148%0.47843%0.431SS..  0114.90-154.1177.4-172.200105.5E5 F6 R200 R207M1-E5 WeakPolarHBondContact CA-OE2 3.43Å; M1-E5 HydrophobicContact CE-CB 4.26Å; M1-E5 HydrophobicContact CG-CB 3.95Å; M1-E5 VanDerWaalsContact CG-OE2 3.28Å; M1-E5 WeakPolarHBondContact CG-OE2 3.46Å; M1-F6 HydrophobicContact SD-CD2 4.4Å; M1-R200 HydrophobicContact CE-CG 4.18Å; M1-R207 PolarHBondContact SD-NH2 3.31Å
2N64Low75.3Confident121 Ų12170.9 Ų70.965%0.64740%0.396SS*.  trans-82.9156.4-177.2-65.6-10.1000109.4G4 E5 F6N2-G4 PolarHBondContact O-N 3.28Å; N2-G4 VanDerWaalsContact O-N 3.08Å; N2-E5 PolarHBondContact N-OE2 3.41Å; N2-E5 WeakPolarHBondContact O-CB 3.28Å; N2-E5 PolarHBondContact O-N 3.45Å; N2-F6 PolarHBondContact O-N 2.83Å
3D62.2Low76.9Confident139 Ų13965.5 Ų65.574%0.74337%0.365SS*.Hα-helixtrans-52.4-36.2-179.8-67-16.5000112.4E5 F6 M7D3-E5 VanDerWaalsContact C-N 3.34Å; D3-E5 PolarHBondContact O-N 3.03Å; D3-F6 PolarHBondContact O-N 3.5Å; D3-M7 WeakPolarHBondContact O-CG 3.25Å; D3-M7 PolarHBondContact O-N 3.45Å
4G69.3Low78.2Confident61 Ų6160.8 Ų60.863%0.62934%0.339SS*.Hα-helixtrans-63.1-33.217600000114.4N2 A8N2-G4 PolarHBondContact O-N 3.28Å; N2-G4 VanDerWaalsContact O-N 3.08Å; G4-A8 WeakPolarHBondContact O-CB 3.32Å; G4-A8 PolarHBondContact O-N 2.81Å
5E66.3Low79.3Confident105 Ų10556.7 Ų56.749%0.49132%0.317SS..Hα-helixtrans-76.6-35.1177-67176.3157.700111.6M1 N2 D3 R200M1-E5 WeakPolarHBondContact CA-OE2 3.43Å; M1-E5 HydrophobicContact CE-CB 4.26Å; M1-E5 HydrophobicContact CG-CB 3.95Å; M1-E5 VanDerWaalsContact CG-OE2 3.28Å; M1-E5 WeakPolarHBondContact CG-OE2 3.46Å; N2-E5 PolarHBondContact N-OE2 3.41Å; N2-E5 WeakPolarHBondContact O-CB 3.28Å; N2-E5 PolarHBondContact O-N 3.45Å; D3-E5 VanDerWaalsContact C-N 3.34Å; D3-E5 PolarHBondContact O-N 3.03Å; E5-R200 PolarHBondContact O-NH1 3.31Å; E5-R200 VanDerWaalsContact O-NH1 3.12Å
6F68.8Low80.1Confident80 Ų8053.2 Ų53.235%0.35130%0.297SS..Hα-helixtrans-69.7-45.2178.9-170.2-101000111M1 N2 D3 A8 R200 V204M1-F6 HydrophobicContact SD-CD2 4.4Å; N2-F6 PolarHBondContact O-N 2.83Å; D3-F6 PolarHBondContact O-N 3.5Å; F6-A8 VanDerWaalsContact C-N 3.3Å; F6-A8 PolarHBondContact O-N 3.01Å; F6-R200 HydrophobicContact CD2-CB 4.49Å; F6-R200 HydrophobicContact CE2-CB 4.29Å; F6-R200 PolarHBondContact O-NH1 3.03Å; F6-V204 HydrophobicContact CD2-CG2 4.3Å; F6-V204 HydrophobicContact CE2-CG2 4.08Å
7M72.7Confident80.6Confident153 Ų15350.5 Ų50.575%0.75428%0.283SS*.SBendtrans-80.8-5-179.7-62.1-171.47700114.3D3D3-M7 WeakPolarHBondContact O-CG 3.25Å; D3-M7 PolarHBondContact O-N 3.45Å
8A80.8Confident81Confident30 Ų3050.4 Ų50.425%0.24828%0.284CS..PPolyproline II helixtrans-60.9135.4-179.600000111.1G4 F6 R200G4-A8 WeakPolarHBondContact O-CB 3.32Å; G4-A8 PolarHBondContact O-N 2.81Å; F6-A8 VanDerWaalsContact C-N 3.3Å; F6-A8 PolarHBondContact O-N 3.01Å; A8-R200 PolarHBondContact O-NH1 3.34Å
9P87Confident81.3Confident40 Ų4050.5 Ų50.526%0.2629%0.288SS..PPolyproline II helixtrans-61.5156.7171.226.7-33000110.3T11 N57P9-T11 PolarHBondContact O-OG1 3.02Å; P9-N57 WeakPolarHBondContact CG-ND2 3.31Å
10S90.4Very high81.8Confident1 Ų148.3 Ų48.31%0.00728%0.276CS..EExtended strand (participates in β ladder)trans-69.2140.6-176.7-57.50000111.2K55 L56 N57 D90 P193 V196S10-K55 PolarHBondContact N-O 3.31Å; S10-L56 CarbonylContact O-C 3.25Å; S10-L56 VanDerWaalsContact O-CA 3.3Å; S10-L56 WeakPolarHBondContact O-CA 3.39Å; S10-L56 WeakPolarHBondContact O-CD1 3.24Å; S10-N57 PolarHBondContact O-N 3.32Å; S10-D90 WeakPolarHBondContact CA-OD2 3.17Å; S10-P193 WeakPolarHBondContact OG-CA 3.41Å; S10-V196 WeakPolarHBondContact OG-CB 3.2Å
11T92.3Very high82.2Confident21 Ų2146.7 Ų46.713%0.12927%0.27CS..EExtended strand (participates in β ladder)trans-116.5128.7-173.1-58.30000111.3P9 N57 I59 D90 K91P9-T11 PolarHBondContact O-OG1 3.02Å; T11-N57 CarbonylContact C-O 3.56Å; T11-N57 WeakPolarHBondContact CA-O 3.48Å; T11-N57 HydrophobicContact CG2-CB 4.14Å; T11-I59 HydrophobicContact CG2-CD1 3.59Å; T11-I59 HydrophobicContact CG2-CG1 3.97Å; T11-D90 PolarHBondContact N-OD2 3.18Å; T11-D90 PolarHBondContact O-N 2.93Å; T11-K91 PolarHBondContact O-N 3.44Å
12I94.5Very high83.9Confident3 Ų342.2 Ų42.22%0.01525%0.248CC..EExtended strand (participates in β ladder)trans-111.4128.5176.2-62.5179000109.2I14 L56 N57 I58 I59 K91 I93 I189 L192I12-I14 HydrophobicContact CG2-CG1 4.13Å; I12-L56 HydrophobicContact CD1-CD1 3.65Å; I12-L56 HydrophobicContact CD1-CD2 4.04Å; I12-L56 HydrophobicContact CD1-CG 4.3Å; I12-L56 HydrophobicContact CG1-CD1 3.75Å; I12-N57 PolarHBondContact N-O 3.21Å; I12-I58 CarbonylContact O-C 3.57Å; I12-I58 WeakPolarHBondContact O-CA 3.42Å; I12-I59 PolarHBondContact O-N 3.3Å; I12-K91 WeakPolarHBondContact CA-O 3.42Å; I12-I93 HydrophobicContact CG2-CD1 3.5Å; I12-I93 HydrophobicContact CG2-CG1 3.68Å; I12-I189 HydrophobicContact CD1-CG1 4.45Å; I12-I189 HydrophobicContact CD1-CG2 4.12Å; I12-L192 HydrophobicContact CD1-CD1 3.92Å; I12-L192 HydrophobicContact CG1-CD1 4.01Å; I12-L192 HydrophobicContact CG1-CD2 4.28Å
13L95.8Very high85.2Confident0 Ų036.6 Ų36.60%022%0.218CC..EExtended strand (participates in β ladder)trans-101.3126.5172.4-17966.1000110.3V15 I59 T61 V82 F85 A86 K91 V92 I93L13-V15 HydrophobicContact CD2-CG2 3.98Å; L13-V15 HydrophobicContact CG-CG2 3.78Å; L13-I59 HydrophobicContact CD1-CB 3.73Å; L13-I59 HydrophobicContact CD1-CD1 4.42Å; L13-I59 HydrophobicContact CD1-CG2 3.56Å; L13-T61 HydrophobicContact CD1-CG2 3.39Å; L13-T61 HydrophobicContact CG-CG2 4.23Å; L13-V82 HydrophobicContact CD2-CG1 4.23Å; L13-F85 HydrophobicContact CD1-CB 3.85Å; L13-F85 HydrophobicContact CD1-CG 4.44Å; L13-F85 HydrophobicContact CD2-CB 3.88Å; L13-F85 HydrophobicContact CG-CB 4.47Å; L13-A86 HydrophobicContact CD2-CB 4.09Å; L13-K91 PolarHBondContact N-O 2.88Å; L13-V92 HydrophobicContact CB-CG2 4.38Å; L13-V92 HydrophobicContact CD2-CG1 4.31Å; L13-V92 HydrophobicContact CD2-CG2 4.35Å; L13-V92 CarbonylContact O-C 3.57Å; L13-V92 WeakPolarHBondContact O-CA 3.39Å; L13-I93 PolarHBondContact O-N 2.9Å
14I95.1Very high86.6Confident0 Ų031 Ų310%019%0.189CC..EExtended strand (participates in β ladder)trans-108.5118.8-179.9-61.4173.4000109.8I12 K22 I26 I58 I59 T61 I93 V95I12-I14 HydrophobicContact CG2-CG1 4.13Å; I14-K22 HydrophobicContact CG2-CB 3.81Å; I14-K22 HydrophobicContact CG2-CD 4.1Å; I14-K22 HydrophobicContact CG2-CG 3.84Å; I14-I26 HydrophobicContact CD1-CD1 3.75Å; I14-I26 HydrophobicContact CD1-CG1 3.29Å; I14-I58 HydrophobicContact CD1-CG2 3.52Å; I14-I58 HydrophobicContact CG1-CG2 4.24Å; I14-I59 PolarHBondContact N-O 3.37Å; I14-T61 WeakPolarHBondContact O-CB 3.49Å; I14-T61 VanDerWaalsContact O-CG2 3.28Å; I14-T61 WeakPolarHBondContact O-CG2 3.16Å; I14-T61 PolarHBondContact O-N 2.91Å; I14-T61 PolarHBondContact O-OG1 2.93Å; I14-I93 CarbonylContact C-O 3.54Å; I14-I93 WeakPolarHBondContact CA-O 3.37Å; I14-I93 HydrophobicContact CG1-CB 4.2Å; I14-I93 HydrophobicContact CG1-CD1 4.49Å; I14-V95 HydrophobicContact CG2-CG2 3.8Å
15V93.9Very high87.7Confident0 Ų028 Ų280%016%0.159CC..EExtended strand (participates in β ladder)trans-126.2149.7-172.9-173.90000110.3L13 T61 I64 V82 V92 I93 F94 V95 L110L13-V15 HydrophobicContact CD2-CG2 3.98Å; L13-V15 HydrophobicContact CG-CG2 3.78Å; V15-T61 WeakPolarHBondContact CA-OG1 3.35Å; V15-T61 HydrophobicContact CG2-CG2 4.21Å; V15-I64 HydrophobicContact CG1-CD1 3.99Å; V15-I64 HydrophobicContact CG1-CG1 4.39Å; V15-V82 HydrophobicContact CG2-CG1 4.19Å; V15-V92 HydrophobicContact CG2-CG1 4.12Å; V15-I93 PolarHBondContact N-O 3.14Å; V15-F94 HydrophobicContact CB-CD1 4.28Å; V15-F94 HydrophobicContact CB-CE1 4.04Å; V15-F94 HydrophobicContact CB-CE2 4.37Å; V15-F94 HydrophobicContact CB-CZ 4.09Å; V15-F94 HydrophobicContact CG1-CD1 4.21Å; V15-F94 HydrophobicContact CG1-CE1 3.58Å; V15-F94 HydrophobicContact CG1-CZ 3.76Å; V15-F94 CarbonylContact O-C 3.52Å; V15-F94 WeakPolarHBondContact O-CA 3.08Å; V15-V95 PolarHBondContact O-N 3.15Å; V15-L110 HydrophobicContact CG1-CD2 3.62Å
16G92.2Very high88.9Confident0 Ų023 Ų230%014%0.136CC..  trans158.4168.6173.300000113.6K22 G63 I64G16-K22 PolarHBondContact O-NZ 3.43Å; G16-G63 WeakPolarHBondContact O-CA 3.34Å; G16-I64 PolarHBondContact O-N 3.44Å; G16-I64 VanDerWaalsContact O-N 3.11Å
17P90Very high89.9Confident8 Ų820.7 Ų20.75%0.05213%0.126CC..SBendtrans-55.9165.3178.1-24.833.6000114.2V20 K22 D102 V107P17-V20 HydrophobicContact CB-CG1 3.89Å; P17-V20 HydrophobicContact CG-CG1 4.26Å; P17-V20 VanDerWaalsContact O-CG2 3.24Å; P17-V20 WeakPolarHBondContact O-CG2 3.2Å; P17-K22 PolarHBondContact O-NZ 2.91Å; P17-D102 HydrophobicContact CG-CB 4.44Å; P17-V107 HydrophobicContact CG-CG2 4.03Å
18P87.4Confident90.8Very high48 Ų4815.9 Ų15.931%0.31210%0.1SC..THydrogen-bonded Turntrans-58147.1172.7-24.132.9000111.6V20 I64 I65P18-V20 PolarHBondContact O-N 3.18Å; P18-I64 WeakPolarHBondContact CD-O 3.5Å; P18-I65 HydrophobicContact CG-CG1 4.3Å
19S87.1Confident91.2Very high52 Ų5215.2 Ų15.236%0.3649%0.092SC..THydrogen-bonded Turntrans63.910170.5-41.30000116.5G21 P41 K127S19-G21 VanDerWaalsContact C-N 3.26Å; S19-G21 PolarHBondContact O-N 3.32Å; S19-P41 PolarHBondContact OG-O 3.28Å; S19-K127 PolarHBondContact O-NZ 3.47Å
20V91.2Very high91.2Very high7 Ų713.7 Ų13.74%0.0428%0.082CC..SBendtrans-73-15172.6-57.50000113.9P17 P18 K22 V95 D97 N126P17-V20 HydrophobicContact CB-CG1 3.89Å; P17-V20 HydrophobicContact CG-CG1 4.26Å; P17-V20 VanDerWaalsContact O-CG2 3.24Å; P17-V20 WeakPolarHBondContact O-CG2 3.2Å; P18-V20 PolarHBondContact O-N 3.18Å; V20-K22 HydrophobicContact CG2-CG 3.77Å; V20-V95 HydrophobicContact CB-CG1 4.2Å; V20-V95 HydrophobicContact CG2-CB 3.91Å; V20-V95 HydrophobicContact CG2-CG1 3.82Å; V20-V95 WeakPolarHBondContact CG2-O 3.41Å; V20-D97 HydrophobicContact CB-CB 4.47Å; V20-D97 HydrophobicContact CG1-CB 4.23Å; V20-N126 PolarHBondContact O-ND2 3.13Å
21G90Very high91Very high14 Ų1417.8 Ų17.814%0.14410%0.103CC..SBendtrans98.130.1177.400000115.8S19 S24 L25S19-G21 VanDerWaalsContact C-N 3.26Å; S19-G21 PolarHBondContact O-N 3.32Å; G21-S24 PolarHBondContact O-N 2.96Å; G21-L25 WeakPolarHBondContact O-CB 3.38Å; G21-L25 PolarHBondContact O-N 2.82Å
22K91.4Very high90.6Very high3 Ų318.9 Ų18.91%0.01311%0.112CC..Hα-helixtrans-54.7-56.8174.6-62.1-174.2-65.3-70.40112.4I14 G16 P17 V20 S24 L25 I26 T61 V95I14-K22 HydrophobicContact CG2-CB 3.81Å; I14-K22 HydrophobicContact CG2-CD 4.1Å; I14-K22 HydrophobicContact CG2-CG 3.84Å; G16-K22 PolarHBondContact O-NZ 3.43Å; P17-K22 PolarHBondContact O-NZ 2.91Å; V20-K22 HydrophobicContact CG2-CG 3.77Å; K22-S24 VanDerWaalsContact C-N 3.29Å; K22-S24 PolarHBondContact O-N 3.39Å; K22-L25 WeakPolarHBondContact O-CB 3.4Å; K22-L25 PolarHBondContact O-N 3.43Å; K22-L25 VanDerWaalsContact O-N 3.14Å; K22-I26 WeakPolarHBondContact O-CG1 3.47Å; K22-I26 PolarHBondContact O-N 3.31Å; K22-T61 WeakPolarHBondContact CE-O 3.19Å; K22-V95 HydrophobicContact CG-CB 4.25Å; K22-V95 HydrophobicContact CG-CG2 4.29Å
23T90.7Very high90.2Very high4 Ų424.1 Ų24.13%0.02514%0.139CC..Hα-helixtrans-57.7-39.8177.7-50.50000111.8I26 Q27 Y34 M37 I39 S44 D60T23-I26 PolarHBondContact O-N 3.2Å; T23-Q27 PolarHBondContact O-N 2.84Å; T23-Y34 HydrophobicContact CG2-CE1 4.48Å; T23-Y34 WeakPolarHBondContact CG2-OH 3.3Å; T23-M37 HydrophobicContact CG2-CG 3.34Å; T23-M37 HydrophobicContact CG2-SD 4.06Å; T23-I39 HydrophobicContact CG2-CG1 3.82Å; T23-S44 PolarHBondContact OG1-OG 3.25Å; T23-S44 VanDerWaalsContact OG1-OG 3.13Å; T23-D60 PolarHBondContact OG1-OD2 3.19Å
24S90.9Very high89.7Confident20 Ų2024.9 Ų24.914%0.1414%0.143CC..Hα-helixtrans-69.5-38.5176-55.70000113.1G21 K22 I26 Q27 Y28 F164G21-S24 PolarHBondContact O-N 2.96Å; K22-S24 VanDerWaalsContact C-N 3.29Å; K22-S24 PolarHBondContact O-N 3.39Å; S24-I26 VanDerWaalsContact C-N 3.31Å; S24-I26 PolarHBondContact O-N 3.5Å; S24-Q27 WeakPolarHBondContact O-CB 3.43Å; S24-Q27 PolarHBondContact O-N 3.21Å; S24-Y28 WeakPolarHBondContact O-CB 3.35Å; S24-Y28 PolarHBondContact O-N 3.46Å; S24-F164 CarbonylContact C-O 3.57Å
25L92.5Very high89.1Confident0 Ų028 Ų280%016%0.163CC..Hα-helixtrans-61.4-42.1173.5172.265.3000110.6G21 K22 Y28 I29 I93 V95 V124 F164 L185G21-L25 WeakPolarHBondContact O-CB 3.38Å; G21-L25 PolarHBondContact O-N 2.82Å; K22-L25 WeakPolarHBondContact O-CB 3.4Å; K22-L25 PolarHBondContact O-N 3.43Å; K22-L25 VanDerWaalsContact O-N 3.14Å; L25-Y28 WeakPolarHBondContact O-CB 3.2Å; L25-Y28 PolarHBondContact O-N 3.05Å; L25-I29 HydrophobicContact CD1-CD1 3.92Å; L25-I29 HydrophobicContact CD1-CG1 4.25Å; L25-I29 HydrophobicContact CG-CD1 3.83Å; L25-I29 WeakPolarHBondContact O-CD1 3.3Å; L25-I29 VanDerWaalsContact O-CG1 3.24Å; L25-I29 WeakPolarHBondContact O-CG1 3.31Å; L25-I29 PolarHBondContact O-N 2.9Å; L25-I93 HydrophobicContact CD2-CG2 4.28Å; L25-V95 HydrophobicContact CD2-CG2 3.67Å; L25-V124 HydrophobicContact CD2-CG1 4.42Å; L25-F164 HydrophobicContact CB-CB 4.31Å; L25-F164 HydrophobicContact CD1-CB 3.47Å; L25-F164 VanDerWaalsContact CD1-CB 3.47Å; L25-F164 HydrophobicContact CD1-CD1 3.77Å; L25-F164 HydrophobicContact CD1-CD2 3.84Å; L25-F164 HydrophobicContact CD1-CE1 4.48Å; L25-F164 HydrophobicContact CD1-CG 3.4Å; L25-L185 HydrophobicContact CD1-CD2 4.08Å
26I91.8Very high88.3Confident0 Ų031 Ų310%019%0.194CC..Hα-helixtrans-62-51.1175.3-65.2173.5000110.5I14 K22 T23 S24 Y28 I29 L30 Y34 I51 I58 D60I14-I26 HydrophobicContact CD1-CD1 3.75Å; I14-I26 HydrophobicContact CD1-CG1 3.29Å; K22-I26 WeakPolarHBondContact O-CG1 3.47Å; K22-I26 PolarHBondContact O-N 3.31Å; T23-I26 PolarHBondContact O-N 3.2Å; S24-I26 VanDerWaalsContact C-N 3.31Å; S24-I26 PolarHBondContact O-N 3.5Å; I26-Y28 PolarHBondContact O-N 3.2Å; I26-I29 PolarHBondContact O-N 2.91Å; I26-I29 VanDerWaalsContact O-N 3.12Å; I26-L30 HydrophobicContact CG2-CD1 3.64Å; I26-L30 HydrophobicContact CG2-CG 4.08Å; I26-L30 WeakPolarHBondContact O-CB 3.39Å; I26-L30 VanDerWaalsContact O-CG 3.27Å; I26-L30 WeakPolarHBondContact O-CG 3.47Å; I26-L30 PolarHBondContact O-N 3.28Å; I26-Y34 HydrophobicContact CB-CE1 3.94Å; I26-Y34 HydrophobicContact CG2-CD1 3.88Å; I26-Y34 HydrophobicContact CG2-CE1 3.41Å; I26-Y34 VanDerWaalsContact CG2-CE1 3.41Å; I26-I51 HydrophobicContact CD1-CD1 4.43Å; I26-I51 HydrophobicContact CG2-CD1 3.39Å; I26-I58 HydrophobicContact CD1-CG2 3.99Å; I26-I58 HydrophobicContact CG1-CG2 3.95Å; I26-I58 HydrophobicContact CG2-CG2 4.46Å; I26-D60 HydrophobicContact CD1-CB 3.45Å; I26-D60 VanDerWaalsContact CD1-CB 3.45Å; I26-D60 VanDerWaalsContact CD1-CG 3.42Å
27Q90.1Very high87.8Confident31 Ų3132.9 Ų32.915%0.14520%0.203CC..Hα-helixtrans-54.2-41.3176.4-173.3-16917.500111.4T23 S24 N31 C32 D33 M37 I39T23-Q27 PolarHBondContact O-N 2.84Å; S24-Q27 WeakPolarHBondContact O-CB 3.43Å; S24-Q27 PolarHBondContact O-N 3.21Å; Q27-N31 WeakPolarHBondContact O-CA 3.48Å; Q27-N31 PolarHBondContact O-N 2.97Å; Q27-C32 PolarHBondContact O-N 3.1Å; Q27-D33 PolarHBondContact NE2-OD1 2.82Å; Q27-M37 HydrophobicContact CB-SD 3.98Å; Q27-M37 HydrophobicContact CG-CE 4.31Å; Q27-M37 HydrophobicContact CG-SD 4.11Å; Q27-I39 VanDerWaalsContact OE1-CD1 3.27Å
28Y90.8Very high87.2Confident51 Ų5139.8 Ų39.820%0.223%0.232CC..Hα-helixtrans-65.8-44.3176.9-175.8-92.2000112.4S24 L25 I26 N31 F164 Q182 L186S24-Y28 WeakPolarHBondContact O-CB 3.35Å; S24-Y28 PolarHBondContact O-N 3.46Å; L25-Y28 WeakPolarHBondContact O-CB 3.2Å; L25-Y28 PolarHBondContact O-N 3.05Å; I26-Y28 PolarHBondContact O-N 3.2Å; Y28-N31 PolarHBondContact O-N 3.44Å; Y28-F164 HydrophobicContact CD1-CB 4.03Å; Y28-F164 AromaticContact CD1-CD1 3.77Å; Y28-F164 HydrophobicContact CD1-CD1 3.77Å; Y28-F164 HydrophobicContact CD1-CG 4.4Å; Y28-F164 AromaticContact CE1-CD1 3.71Å; Y28-F164 HydrophobicContact CE1-CD1 3.71Å; Y28-F164 HydrophobicContact CE1-CE1 4.5Å; Y28-F164 HydrophobicContact CG-CB 4.08Å; Y28-Q182 PolarHBondContact OH-OE1 3.37Å; Y28-L186 HydrophobicContact CE1-CD1 4.11Å; Y28-L186 HydrophobicContact CE1-CD2 4.2Å; Y28-L186 HydrophobicContact CE1-CG 4.43Å
29I89.6Confident86.7Confident16 Ų1641.9 Ų41.98%0.08224%0.24CC..Hα-helixtrans-64.7-41.8176.7-68.2160.7000111.3L25 I26 N31 I58 I189L25-I29 HydrophobicContact CD1-CD1 3.92Å; L25-I29 HydrophobicContact CD1-CG1 4.25Å; L25-I29 HydrophobicContact CG-CD1 3.83Å; L25-I29 WeakPolarHBondContact O-CD1 3.3Å; L25-I29 VanDerWaalsContact O-CG1 3.24Å; L25-I29 WeakPolarHBondContact O-CG1 3.31Å; L25-I29 PolarHBondContact O-N 2.9Å; I26-I29 PolarHBondContact O-N 2.91Å; I26-I29 VanDerWaalsContact O-N 3.12Å; I29-N31 VanDerWaalsContact C-N 3.29Å; I29-I58 HydrophobicContact CG2-CD1 4.09Å; I29-I189 HydrophobicContact CD1-CD1 3.64Å; I29-I189 HydrophobicContact CG1-CD1 4Å; I29-I189 HydrophobicContact CG2-CG2 4.31Å
30L86.9Confident85.9Confident9 Ų941.6 Ų41.65%0.04724%0.241CC..Hα-helixtrans-75.6-19.2179.8-63.2-179.4000112.7I26 C32 Y34 I51 I58 L335I26-L30 HydrophobicContact CG2-CD1 3.64Å; I26-L30 HydrophobicContact CG2-CG 4.08Å; I26-L30 WeakPolarHBondContact O-CB 3.39Å; I26-L30 VanDerWaalsContact O-CG 3.27Å; I26-L30 WeakPolarHBondContact O-CG 3.47Å; I26-L30 PolarHBondContact O-N 3.28Å; L30-C32 PolarHBondContact O-N 3.49Å; L30-C32 VanDerWaalsContact O-N 3.16Å; L30-C32 PolarHBondContact O-SG 3.32Å; L30-C32 VanDerWaalsContact O-SG 3.33Å; L30-Y34 HydrophobicContact CD1-CD1 3.91Å; L30-Y34 HydrophobicContact CD1-CG 4.41Å; L30-I51 HydrophobicContact CD1-CD1 4.15Å; L30-I51 HydrophobicContact CD1-CG2 4.02Å; L30-I58 HydrophobicContact CD2-CD1 4.1Å; L30-L335 HydrophobicContact CD2-CD1 3.27Å; L30-L335 HydrophobicContact CD2-CG 3.92Å
31N85.8Confident84.5Confident86 Ų8646.9 Ų46.946%0.4628%0.275SS..THydrogen-bonded Turntrans5128.5-168.5-160.331.4000113.1Q27 Y28 I29Q27-N31 WeakPolarHBondContact O-CA 3.48Å; Q27-N31 PolarHBondContact O-N 2.97Å; Y28-N31 PolarHBondContact O-N 3.44Å; I29-N31 VanDerWaalsContact C-N 3.29Å
32C84.9Confident83.2Confident45 Ų4553.9 Ų53.930%0.30430%0.304SS..SBendtrans-162159.8179.661.70000111.4Q27 L30Q27-C32 PolarHBondContact O-N 3.1Å; L30-C32 PolarHBondContact O-N 3.49Å; L30-C32 VanDerWaalsContact O-N 3.16Å; L30-C32 PolarHBondContact O-SG 3.32Å; L30-C32 VanDerWaalsContact O-SG 3.33Å
33D85.9Confident81.9Confident112 Ų11255.6 Ų55.660%0.59932%0.317SS*.  trans-77.4138.9174.2-64.9-1.6000110.2Q27 M37Q27-D33 PolarHBondContact NE2-OD1 2.82Å; D33-M37 HydrophobicContact CB-CE 3.78Å; D33-M37 VanDerWaalsContact CG-CE 3.49Å; D33-M37 WeakPolarHBondContact OD1-CE 3.47Å
34Y85.6Confident80.4Confident17 Ų1756.7 Ų56.77%0.06732%0.324CS..  trans-105.7148.1174.758.8-85.4000111.8T23 I26 L30 G36 M37 T49 I51 D60T23-Y34 HydrophobicContact CG2-CE1 4.48Å; T23-Y34 WeakPolarHBondContact CG2-OH 3.3Å; I26-Y34 HydrophobicContact CB-CE1 3.94Å; I26-Y34 HydrophobicContact CG2-CD1 3.88Å; I26-Y34 HydrophobicContact CG2-CE1 3.41Å; I26-Y34 VanDerWaalsContact CG2-CE1 3.41Å; L30-Y34 HydrophobicContact CD1-CD1 3.91Å; L30-Y34 HydrophobicContact CD1-CG 4.41Å; Y34-G36 PolarHBondContact O-N 3.01Å; Y34-M37 HydrophobicContact CD1-CB 4.21Å; Y34-M37 HydrophobicContact CD1-CG 4.27Å; Y34-M37 HydrophobicContact CD1-SD 3.85Å; Y34-M37 HydrophobicContact CD2-CB 3.95Å; Y34-M37 HydrophobicContact CE1-CB 4.09Å; Y34-M37 HydrophobicContact CE1-CG 3.77Å; Y34-M37 HydrophobicContact CE1-SD 3.54Å; Y34-M37 VanDerWaalsContact CE1-SD 3.54Å; Y34-M37 HydrophobicContact CE2-CB 3.84Å; Y34-M37 HydrophobicContact CE2-CG 4.19Å; Y34-M37 HydrophobicContact CG-CB 4.16Å; Y34-M37 WeakPolarHBondContact O-CB 3.35Å; Y34-M37 PolarHBondContact O-N 3.03Å; Y34-T49 HydrophobicContact CE2-CG2 4.38Å; Y34-I51 HydrophobicContact CD1-CD1 3.87Å; Y34-I51 HydrophobicContact CD2-CD1 3.61Å; Y34-I51 HydrophobicContact CD2-CG1 4.04Å; Y34-I51 HydrophobicContact CE1-CD1 3.95Å; Y34-I51 HydrophobicContact CE2-CD1 3.68Å; Y34-I51 HydrophobicContact CE2-CG1 4.36Å; Y34-I51 HydrophobicContact CG-CD1 3.68Å; Y34-I51 HydrophobicContact CG-CG1 4.31Å; Y34-D60 PolarHBondContact OH-OD2 3.36Å
35P82Confident79Confident66 Ų6656.2 Ų56.243%0.42932%0.322SS..THydrogen-bonded Turntrans-58.1135.3178.7-24.134.1000112.4M37 W329P35-M37 VanDerWaalsContact C-N 3.29Å; P35-W329 HydrophobicContact CB-CD2 3.75Å; P35-W329 HydrophobicContact CB-CE3 3.93Å; P35-W329 HydrophobicContact CB-CG 4.3Å; P35-W329 HydrophobicContact CB-CH2 4.14Å; P35-W329 HydrophobicContact CB-CZ2 3.96Å; P35-W329 HydrophobicContact CB-CZ3 4.13Å; P35-W329 HydrophobicContact CG-CD2 4.28Å; P35-W329 HydrophobicContact CG-CE3 4.32Å
36G77.4Confident78Confident63 Ų6360.1 Ų60.165%0.64934%0.342SS*.THydrogen-bonded Turntrans85.1-4-179.100000114.7Y34 K38Y34-G36 PolarHBondContact O-N 3.01Å; G36-K38 PolarHBondContact O-N 3.34Å
37M81.7Confident77.6Confident39 Ų3967.4 Ų67.419%0.19237%0.37CS..  trans-62.4127173-170-179.270.400111T23 Q27 D33 Y34 P35 I39T23-M37 HydrophobicContact CG2-CG 3.34Å; T23-M37 HydrophobicContact CG2-SD 4.06Å; Q27-M37 HydrophobicContact CB-SD 3.98Å; Q27-M37 HydrophobicContact CG-CE 4.31Å; Q27-M37 HydrophobicContact CG-SD 4.11Å; D33-M37 HydrophobicContact CB-CE 3.78Å; D33-M37 VanDerWaalsContact CG-CE 3.49Å; D33-M37 WeakPolarHBondContact OD1-CE 3.47Å; Y34-M37 HydrophobicContact CD1-CB 4.21Å; Y34-M37 HydrophobicContact CD1-CG 4.27Å; Y34-M37 HydrophobicContact CD1-SD 3.85Å; Y34-M37 HydrophobicContact CD2-CB 3.95Å; Y34-M37 HydrophobicContact CE1-CB 4.09Å; Y34-M37 HydrophobicContact CE1-CG 3.77Å; Y34-M37 HydrophobicContact CE1-SD 3.54Å; Y34-M37 VanDerWaalsContact CE1-SD 3.54Å; Y34-M37 HydrophobicContact CE2-CB 3.84Å; Y34-M37 HydrophobicContact CE2-CG 4.19Å; Y34-M37 HydrophobicContact CG-CB 4.16Å; Y34-M37 WeakPolarHBondContact O-CB 3.35Å; Y34-M37 PolarHBondContact O-N 3.03Å; P35-M37 VanDerWaalsContact C-N 3.29Å; M37-I39 HydrophobicContact CE-CD1 4.1Å; M37-I39 HydrophobicContact CG-CG1 4.27Å; M37-I39 HydrophobicContact SD-CD1 4.09Å; M37-I39 HydrophobicContact SD-CG1 4.37Å
38K77.2Confident77.5Confident152 Ų15266.4 Ų66.466%0.66137%0.365SS*.  trans-129.7113.2169.1-69.7-175.2-179.9-176.60108.9G36 S44G36-K38 PolarHBondContact O-N 3.34Å; K38-S44 CarbonylContact O-C 3.6Å; K38-S44 VanDerWaalsContact O-CA 3.3Å; K38-S44 WeakPolarHBondContact O-CA 3.43Å; K38-S44 WeakPolarHBondContact O-CB 3.32Å
39I78Confident77.4Confident92 Ų9264.9 Ų64.947%0.47236%0.361SS..  trans-96.699.8174.8-59.3172.4000107.6T23 Q27 M37T23-I39 HydrophobicContact CG2-CG1 3.82Å; Q27-I39 VanDerWaalsContact OE1-CD1 3.27Å; M37-I39 HydrophobicContact CE-CD1 4.1Å; M37-I39 HydrophobicContact CG-CG1 4.27Å; M37-I39 HydrophobicContact SD-CD1 4.09Å; M37-I39 HydrophobicContact SD-CG1 4.37Å
40A70.2Confident77.5Confident46 Ų4665.2 Ų65.238%0.3836%0.363SS..  trans-117.2153.5173.700000110E42A40-E42 CarbonylContact C-O 3.56Å; A40-E42 VanDerWaalsContact C-O 3.25Å; A40-E42 WeakPolarHBondContact CB-O 3.26Å; A40-E42 PolarHBondContact O-N 2.84Å
41P61.6Low77.6Confident118 Ų11865.9 Ų65.977%0.76637%0.366SS*.SBendtrans-65.7-26.4171.724.4-30.7000112S19S19-P41 PolarHBondContact OG-O 3.28Å
42E62.8Low77.7Confident161 Ų16165.5 Ų65.575%0.75236%0.363SS*.SBendtrans-87.8163166.2-54.3-169.4-169.300110A40 S44A40-E42 CarbonylContact C-O 3.56Å; A40-E42 VanDerWaalsContact C-O 3.25Å; A40-E42 WeakPolarHBondContact CB-O 3.26Å; A40-E42 PolarHBondContact O-N 2.84Å; E42-S44 PolarHBondContact O-N 3.43Å
43S63.2Low77.5Confident40 Ų4065.2 Ų65.228%0.2836%0.357SS..  trans-37.2111.3-171.3-174.30000113.4A45S43-A45 VanDerWaalsContact C-N 3.34Å; S43-A45 PolarHBondContact O-N 2.89Å; S43-A45 PolarHBondContact OG-O 2.9Å
44S58.8Low77.1Confident26 Ų2665.9 Ų65.918%0.18236%0.356CS..SBendtrans-70.8-28.8-17545.60000113.5T23 K38 E42T23-S44 PolarHBondContact OG1-OG 3.25Å; T23-S44 VanDerWaalsContact OG1-OG 3.13Å; K38-S44 CarbonylContact O-C 3.6Å; K38-S44 VanDerWaalsContact O-CA 3.3Å; K38-S44 WeakPolarHBondContact O-CA 3.43Å; K38-S44 WeakPolarHBondContact O-CB 3.32Å; E42-S44 PolarHBondContact O-N 3.43Å
45A61.4Low77Confident11 Ų1171.8 Ų71.89%0.09138%0.382CS..  trans-135.6123.3-177.300000110.2S43 P62S43-A45 VanDerWaalsContact C-N 3.34Å; S43-A45 PolarHBondContact O-N 2.89Å; S43-A45 PolarHBondContact OG-O 2.9Å; A45-P62 VanDerWaalsContact O-CA 3.27Å; A45-P62 WeakPolarHBondContact O-CA 3.3Å; A45-P62 WeakPolarHBondContact O-CB 3.25Å
46D72.6Confident77.3Confident81 Ų8169.3 Ų69.343%0.43337%0.365SS..SBendtrans-96.9-4174.4-60.8-31.3000112.5
47R83.2Confident78Confident153 Ų15367.5 Ų67.558%0.57734%0.341SS*.SBendtrans-142.9153-169.933.8179.2150.4-176.4-7.7110.6
48F87.4Confident78.5Confident11 Ų1165.9 Ų65.95%0.04833%0.333CS..  trans-70.3128.1173-68.7-96.8000109.5D60 T61 P62 Y76 F78 V81 V82 F85F48-D60 WeakPolarHBondContact CA-O 3.26Å; F48-T61 HydrophobicContact CD1-CG2 3.8Å; F48-T61 HydrophobicContact CE1-CG2 3.6Å; F48-P62 HydrophobicContact CD2-CG 4.23Å; F48-P62 HydrophobicContact CE2-CG 3.94Å; F48-P62 HydrophobicContact CZ-CG 4.23Å; F48-Y76 AromaticContact CE2-CE2 3.75Å; F48-Y76 HydrophobicContact CE2-CE2 3.75Å; F48-Y76 AromaticContact CE2-CZ 3.92Å; F48-F78 HydrophobicContact CE1-CE2 4.37Å; F48-F78 HydrophobicContact CE2-CD2 4.26Å; F48-F78 HydrophobicContact CE2-CE2 4.43Å; F48-F78 AromaticContact CZ-CD2 3.76Å; F48-F78 HydrophobicContact CZ-CD2 3.76Å; F48-F78 AromaticContact CZ-CE2 3.69Å; F48-F78 HydrophobicContact CZ-CE2 3.69Å; F48-V81 HydrophobicContact CD2-CG1 4.26Å; F48-V81 HydrophobicContact CE1-CG1 4Å; F48-V81 HydrophobicContact CE2-CB 4.43Å; F48-V81 HydrophobicContact CE2-CG1 3.68Å; F48-V81 HydrophobicContact CZ-CB 4.19Å; F48-V81 HydrophobicContact CZ-CG1 3.53Å; F48-V82 HydrophobicContact CE1-CG2 4.22Å; F48-V82 HydrophobicContact CZ-CG2 4.2Å; F48-F85 HydrophobicContact CB-CE2 4.48Å; F48-F85 AromaticContact CD1-CD2 3.99Å; F48-F85 HydrophobicContact CD1-CD2 3.99Å; F48-F85 AromaticContact CD1-CE2 3.73Å; F48-F85 HydrophobicContact CD1-CE2 3.73Å; F48-F85 HydrophobicContact CE1-CD2 4.03Å; F48-F85 HydrophobicContact CE1-CE2 4.12Å; F48-F85 HydrophobicContact CG-CE2 4.1Å
49T89.2Confident79.3Confident19 Ų1958.9 Ų58.912%0.11730%0.303CS..EExtended strand (participates in β ladder)trans-119.4121.6179-55.30000109.1Y34 I51 I59 D60Y34-T49 HydrophobicContact CE2-CG2 4.38Å; T49-I51 HydrophobicContact CG2-CG1 4.36Å; T49-I59 WeakPolarHBondContact O-CA 3.49Å; T49-D60 PolarHBondContact N-O 2.93Å; T49-D60 PolarHBondContact O-N 3.38Å
50I91Very high80Confident22 Ų2254.6 Ų54.611%0.11328%0.281CS..EExtended strand (participates in β ladder)trans-101.4114.8177.5-53.9-171.8000109.1M52 I59 F85 V326I50-M52 HydrophobicContact CG2-CG 3.98Å; I50-I59 HydrophobicContact CG1-CG1 4.2Å; I50-I59 HydrophobicContact CG1-CG2 4.35Å; I50-I59 HydrophobicContact CG2-CG1 4.35Å; I50-F85 HydrophobicContact CD1-CE1 4.01Å; I50-F85 HydrophobicContact CD1-CZ 4.41Å; I50-V326 HydrophobicContact CB-CG1 4.26Å; I50-V326 HydrophobicContact CD1-CG1 3.53Å; I50-V326 HydrophobicContact CG1-CG1 3.67Å
51I90.2Very high81Confident24 Ų2452.4 Ų52.412%0.12326%0.263CS..EExtended strand (participates in β ladder)trans-98.6109.8177.2-55.2166.1000107.1I26 L30 Y34 T49 N57 I58I26-I51 HydrophobicContact CD1-CD1 4.43Å; I26-I51 HydrophobicContact CG2-CD1 3.39Å; L30-I51 HydrophobicContact CD1-CD1 4.15Å; L30-I51 HydrophobicContact CD1-CG2 4.02Å; Y34-I51 HydrophobicContact CD1-CD1 3.87Å; Y34-I51 HydrophobicContact CD2-CD1 3.61Å; Y34-I51 HydrophobicContact CD2-CG1 4.04Å; Y34-I51 HydrophobicContact CE1-CD1 3.95Å; Y34-I51 HydrophobicContact CE2-CD1 3.68Å; Y34-I51 HydrophobicContact CE2-CG1 4.36Å; Y34-I51 HydrophobicContact CG-CD1 3.68Å; Y34-I51 HydrophobicContact CG-CG1 4.31Å; T49-I51 HydrophobicContact CG2-CG1 4.36Å; I51-N57 CarbonylContact O-C 3.47Å; I51-N57 WeakPolarHBondContact O-CA 3.44Å; I51-I58 HydrophobicContact CB-CB 4.43Å; I51-I58 PolarHBondContact N-O 2.98Å; I51-I58 PolarHBondContact O-N 2.89Å
52M87.7Confident82.3Confident77 Ų7746.8 Ų46.838%0.37923%0.226SC..EExtended strand (participates in β ladder)trans-97.7127.6-177.7-60.3-177.5-64.500110.9I50 N57 F328 W329I50-M52 HydrophobicContact CG2-CG 3.98Å; M52-N57 WeakPolarHBondContact CA-OD1 3.34Å; M52-F328 HydrophobicContact CE-CB 4.17Å; M52-F328 HydrophobicContact CE-CD1 3.63Å; M52-F328 HydrophobicContact CE-CG 4.4Å; M52-F328 HydrophobicContact SD-CD1 3.74Å; M52-F328 HydrophobicContact SD-CE1 4.13Å; M52-W329 WeakPolarHBondContact CE-O 3.43Å
53H81.3Confident83.4Confident40 Ų4039.2 Ų39.219%0.18519%0.191CC..  trans-129.5164.7172-172.6-96.8000110.8K55 L56 L335H53-K55 PolarHBondContact O-N 3.42Å; H53-K55 VanDerWaalsContact O-N 3.15Å; H53-L56 WeakPolarHBondContact CA-O 3.22Å; H53-L56 WeakPolarHBondContact CB-O 3.34Å; H53-L56 PolarHBondContact N-O 3.47Å; H53-L335 HydrophobicContact CB-CD1 3.77Å; H53-L335 VanDerWaalsContact CE1-CB 3.41Å; H53-L335 WeakPolarHBondContact CE1-CB 3.42Å; H53-L335 VanDerWaalsContact CG-CD1 3.43Å; H53-L335 VanDerWaalsContact NE2-CB 3.34Å; H53-L335 WeakPolarHBondContact NE2-CB 3.45Å
54E77.6Confident84.5Confident126 Ų12637.8 Ų37.859%0.58918%0.181SC*.SBendtrans-55.8-35.4-172.3-67.8-173.7167.400114.2
55K82.3Confident85.6Confident141 Ų14138.2 Ų38.261%0.61318%0.18SC*.SBendtrans-113.7-18.8-176.2-62.9-177.3-179.9178.50113.9S10 H53 P193S10-K55 PolarHBondContact N-O 3.31Å; H53-K55 PolarHBondContact O-N 3.42Å; H53-K55 VanDerWaalsContact O-N 3.15Å; K55-P193 HydrophobicContact CB-CB 4.48Å; K55-P193 HydrophobicContact CB-CG 4.26Å
56L88.7Confident86Confident13 Ų1339.7 Ų39.77%0.06819%0.19CC..EExtended strand (participates in β ladder)trans-146.9128.1-168.1-173.364.9000110.1S10 I12 H53 I58 I189 L192S10-L56 CarbonylContact O-C 3.25Å; S10-L56 VanDerWaalsContact O-CA 3.3Å; S10-L56 WeakPolarHBondContact O-CA 3.39Å; S10-L56 WeakPolarHBondContact O-CD1 3.24Å; I12-L56 HydrophobicContact CD1-CD1 3.65Å; I12-L56 HydrophobicContact CD1-CD2 4.04Å; I12-L56 HydrophobicContact CD1-CG 4.3Å; I12-L56 HydrophobicContact CG1-CD1 3.75Å; H53-L56 WeakPolarHBondContact CA-O 3.22Å; H53-L56 WeakPolarHBondContact CB-O 3.34Å; H53-L56 PolarHBondContact N-O 3.47Å; L56-I58 HydrophobicContact CD2-CD1 4.15Å; L56-I58 HydrophobicContact CD2-CG1 4.14Å; L56-I58 HydrophobicContact CG-CG1 4.17Å; L56-I189 HydrophobicContact CD2-CG2 3.89Å; L56-L192 HydrophobicContact CD1-CD2 3.94Å
57N91.5Very high85.5Confident26 Ų2638.1 Ų38.114%0.13918%0.183CC..EExtended strand (participates in β ladder)trans-102.9139167-65-23.2000108.7P9 S10 T11 I12 I51 M52P9-N57 WeakPolarHBondContact CG-ND2 3.31Å; S10-N57 PolarHBondContact O-N 3.32Å; T11-N57 CarbonylContact C-O 3.56Å; T11-N57 WeakPolarHBondContact CA-O 3.48Å; T11-N57 HydrophobicContact CG2-CB 4.14Å; I12-N57 PolarHBondContact N-O 3.21Å; I51-N57 CarbonylContact O-C 3.47Å; I51-N57 WeakPolarHBondContact O-CA 3.44Å; M52-N57 WeakPolarHBondContact CA-OD1 3.34Å
58I93Very high84.4Confident4 Ų438.7 Ų38.72%0.02119%0.193CC..EExtended strand (participates in β ladder)trans-122.3128.3176.1-57.3177.9000108.5I12 I14 I26 I29 L30 I51 L56I12-I58 CarbonylContact O-C 3.57Å; I12-I58 WeakPolarHBondContact O-CA 3.42Å; I14-I58 HydrophobicContact CD1-CG2 3.52Å; I14-I58 HydrophobicContact CG1-CG2 4.24Å; I26-I58 HydrophobicContact CD1-CG2 3.99Å; I26-I58 HydrophobicContact CG1-CG2 3.95Å; I26-I58 HydrophobicContact CG2-CG2 4.46Å; I29-I58 HydrophobicContact CG2-CD1 4.09Å; L30-I58 HydrophobicContact CD2-CD1 4.1Å; I51-I58 HydrophobicContact CB-CB 4.43Å; I51-I58 PolarHBondContact N-O 2.98Å; I51-I58 PolarHBondContact O-N 2.89Å; L56-I58 HydrophobicContact CD2-CD1 4.15Å; L56-I58 HydrophobicContact CD2-CG1 4.14Å; L56-I58 HydrophobicContact CG-CG1 4.17Å
59I93.4Very high83.3Confident5 Ų544.5 Ų44.53%0.02622%0.218CC..EExtended strand (participates in β ladder)trans-106.9110.2178-54.2176000108.1T11 I12 L13 I14 T49 I50 T61 F85T11-I59 HydrophobicContact CG2-CD1 3.59Å; T11-I59 HydrophobicContact CG2-CG1 3.97Å; I12-I59 PolarHBondContact O-N 3.3Å; L13-I59 HydrophobicContact CD1-CB 3.73Å; L13-I59 HydrophobicContact CD1-CD1 4.42Å; L13-I59 HydrophobicContact CD1-CG2 3.56Å; I14-I59 PolarHBondContact N-O 3.37Å; T49-I59 WeakPolarHBondContact O-CA 3.49Å; I50-I59 HydrophobicContact CG1-CG1 4.2Å; I50-I59 HydrophobicContact CG1-CG2 4.35Å; I50-I59 HydrophobicContact CG2-CG1 4.35Å; I59-T61 HydrophobicContact CG2-CG2 4.5Å; I59-F85 HydrophobicContact CD1-CB 4.49Å; I59-F85 HydrophobicContact CD1-CD1 3.58Å; I59-F85 HydrophobicContact CD1-CE1 4.09Å; I59-F85 HydrophobicContact CD1-CG 4.25Å
60D92Very high82Confident2 Ų243.9 Ų43.91%0.01121%0.214CC..EExtended strand (participates in β ladder)trans-83124.3171.3-162.77.7000109.1T23 I26 Y34 F48 T49T23-D60 PolarHBondContact OG1-OD2 3.19Å; I26-D60 HydrophobicContact CD1-CB 3.45Å; I26-D60 VanDerWaalsContact CD1-CB 3.45Å; I26-D60 VanDerWaalsContact CD1-CG 3.42Å; Y34-D60 PolarHBondContact OH-OD2 3.36Å; F48-D60 WeakPolarHBondContact CA-O 3.26Å; T49-D60 PolarHBondContact N-O 2.93Å; T49-D60 PolarHBondContact O-N 3.38Å
61T91.9Very high80.6Confident0 Ų050.8 Ų50.80%024%0.243CC..PPolyproline II helixtrans-103.4148.3179.367.90000111.3L13 I14 V15 K22 F48 I59L13-T61 HydrophobicContact CD1-CG2 3.39Å; L13-T61 HydrophobicContact CG-CG2 4.23Å; I14-T61 WeakPolarHBondContact O-CB 3.49Å; I14-T61 VanDerWaalsContact O-CG2 3.28Å; I14-T61 WeakPolarHBondContact O-CG2 3.16Å; I14-T61 PolarHBondContact O-N 2.91Å; I14-T61 PolarHBondContact O-OG1 2.93Å; V15-T61 WeakPolarHBondContact CA-OG1 3.35Å; V15-T61 HydrophobicContact CG2-CG2 4.21Å; K22-T61 WeakPolarHBondContact CE-O 3.19Å; F48-T61 HydrophobicContact CD1-CG2 3.8Å; F48-T61 HydrophobicContact CE1-CG2 3.6Å; I59-T61 HydrophobicContact CG2-CG2 4.5Å
62P88.3Confident79.1Confident0 Ų055 Ų550%028%0.275CS..PPolyproline II helixtrans-65.9147.6172.330.8-35.2000110.1A45 F48 F78A45-P62 VanDerWaalsContact O-CA 3.27Å; A45-P62 WeakPolarHBondContact O-CA 3.3Å; A45-P62 WeakPolarHBondContact O-CB 3.25Å; F48-P62 HydrophobicContact CD2-CG 4.23Å; F48-P62 HydrophobicContact CE2-CG 3.94Å; F48-P62 HydrophobicContact CZ-CG 4.23Å; P62-F78 HydrophobicContact CG-CD2 4.3Å; P62-F78 HydrophobicContact CG-CE2 3.85Å
63G86.9Confident78.1Confident2 Ų258.5 Ų58.52%0.02128%0.284CS..PPolyproline II helixtrans-60.2149.7-172.700000114G16 I65 R74G16-G63 WeakPolarHBondContact O-CA 3.34Å; G63-I65 WeakPolarHBondContact O-CG1 3.32Å; G63-I65 PolarHBondContact O-N 2.88Å; G63-R74 PolarHBondContact O-NH2 3.48Å
64I87.1Confident77.8Confident11 Ų1157.9 Ų57.96%0.05628%0.28CS..PPolyproline II helixtrans-70.6116.5179.1-55168.9000110V15 G16 P18 F78 F94 D106 V107 L110V15-I64 HydrophobicContact CG1-CD1 3.99Å; V15-I64 HydrophobicContact CG1-CG1 4.39Å; G16-I64 PolarHBondContact O-N 3.44Å; G16-I64 VanDerWaalsContact O-N 3.11Å; P18-I64 WeakPolarHBondContact CD-O 3.5Å; I64-F78 HydrophobicContact CG1-CE1 3.98Å; I64-F78 HydrophobicContact CG1-CZ 4.27Å; I64-F94 HydrophobicContact CD1-CE1 4.43Å; I64-D106 HydrophobicContact CG2-CB 3.94Å; I64-V107 HydrophobicContact CD1-CG2 3.95Å; I64-V107 HydrophobicContact CG2-CG2 4.36Å; I64-L110 HydrophobicContact CD1-CD2 3.66Å; I64-L110 HydrophobicContact CG1-CD2 4.12Å
65I80.2Confident77.8Confident34 Ų3455.3 Ų55.317%0.17429%0.288CS..  trans-113.5158.2178.2-47.6172.4000107.8P18 G63 K69 Q70P18-I65 HydrophobicContact CG-CG1 4.3Å; G63-I65 WeakPolarHBondContact O-CG1 3.32Å; G63-I65 PolarHBondContact O-N 2.88Å; I65-K69 HydrophobicContact CG2-CB 3.57Å; I65-K69 HydrophobicContact CG2-CD 3.73Å; I65-K69 HydrophobicContact CG2-CG 4.27Å; I65-Q70 HydrophobicContact CB-CG 4.37Å; I65-Q70 VanDerWaalsContact O-CG 3.29Å; I65-Q70 WeakPolarHBondContact O-CG 3.5Å; I65-Q70 PolarHBondContact O-NE2 3.45Å
66S70.1Confident77.8Confident42 Ų4250.7 Ų50.729%0.29427%0.267SS..  trans-53.6144.7174.663.90000113.8E68 K69 Q70 D106S66-E68 PolarHBondContact O-N 2.79Å; S66-E68 VanDerWaalsContact O-N 3.14Å; S66-K69 WeakPolarHBondContact O-CA 3.24Å; S66-K69 PolarHBondContact O-N 3.43Å; S66-Q70 PolarHBondContact O-N 3.5Å; S66-D106 VanDerWaalsContact CA-OD2 3.3Å; S66-D106 WeakPolarHBondContact CA-OD2 3.39Å
67V62.9Low77.6Confident49 Ų4954.2 Ų54.230%0.29729%0.286SS..Hα-helixtrans-45.8-45.1-178.1-1630000114K69 Q70 K71 D106V67-K69 VanDerWaalsContact C-N 3.31Å; V67-K69 PolarHBondContact O-N 3.32Å; V67-Q70 PolarHBondContact O-N 2.84Å; V67-K71 PolarHBondContact O-N 3.19Å; V67-D106 WeakPolarHBondContact CG2-OD1 3.5Å; V67-D106 PolarHBondContact N-OD1 2.87Å
68E60.5Low77.4Confident165 Ų16553 Ų5377%0.77128%0.28SS*.Hα-helixtrans-62.7-42.2-177.9-65.2178.6173.200110.9S66 S72S66-E68 PolarHBondContact O-N 2.79Å; S66-E68 VanDerWaalsContact O-N 3.14Å; E68-S72 PolarHBondContact O-OG 3.39Å
69K63.2Low77.2Confident132 Ų13253.1 Ų53.157%0.57428%0.28SS*.Hα-helixtrans-74.5-33176.5-68-178.4178.8-1790111.6I65 S66 V67 Y73I65-K69 HydrophobicContact CG2-CB 3.57Å; I65-K69 HydrophobicContact CG2-CD 3.73Å; I65-K69 HydrophobicContact CG2-CG 4.27Å; S66-K69 WeakPolarHBondContact O-CA 3.24Å; S66-K69 PolarHBondContact O-N 3.43Å; V67-K69 VanDerWaalsContact C-N 3.31Å; V67-K69 PolarHBondContact O-N 3.32Å; K69-Y73 WeakPolarHBondContact O-CB 3.45Å; K69-Y73 PolarHBondContact O-N 2.92Å
70Q62.2Low77Confident7 Ų756 Ų563%0.03330%0.3CS..Hα-helixtrans-61.4-50.7179.1-76.4-179.7-28.500112I65 S66 V67 S72 Y73 R74 F78I65-Q70 HydrophobicContact CB-CG 4.37Å; I65-Q70 VanDerWaalsContact O-CG 3.29Å; I65-Q70 WeakPolarHBondContact O-CG 3.5Å; I65-Q70 PolarHBondContact O-NE2 3.45Å; S66-Q70 PolarHBondContact O-N 3.5Å; V67-Q70 PolarHBondContact O-N 2.84Å; Q70-S72 PolarHBondContact O-N 3.45Å; Q70-Y73 PolarHBondContact O-N 2.83Å; Q70-R74 VanDerWaalsContact O-CB 3.3Å; Q70-R74 WeakPolarHBondContact O-CB 3.45Å; Q70-R74 PolarHBondContact O-N 3.36Å; Q70-F78 VanDerWaalsContact NE2-CD1 3.29Å
71K60.8Low76.9Confident167 Ų16757 Ų5773%0.72631%0.307SS*.Hα-helixtrans-64.7-41.2-178.5-74.4-174.5177.3-178.70112.3V67V67-K71 PolarHBondContact O-N 3.19Å
72S59.5Low76.9Confident113 Ų11357 Ų5779%0.7931%0.307SS*.Hα-helixtrans-75.1-32.8-179.9-61.40000113.8E68 Q70E68-S72 PolarHBondContact O-OG 3.39Å; Q70-S72 PolarHBondContact O-N 3.45Å
73Y67.1Low77.1Confident149 Ų14958.5 Ų58.558%0.58432%0.316SS*.Hα-helixtrans-94.7-32.1-172.5-169-103.2000113.7K69 Q70K69-Y73 WeakPolarHBondContact O-CB 3.45Å; K69-Y73 PolarHBondContact O-N 2.92Å; Q70-Y73 PolarHBondContact O-N 2.83Å
74R73.6Confident77.3Confident27 Ų2762.3 Ų62.310%0.10233%0.332CS..Hα-helixtrans-103.6-32.4-170.5-67.8-178.9173.3176.73.4114.6G63 Q70 Y76 F78G63-R74 PolarHBondContact O-NH2 3.48Å; Q70-R74 VanDerWaalsContact O-CB 3.3Å; Q70-R74 WeakPolarHBondContact O-CB 3.45Å; Q70-R74 PolarHBondContact O-N 3.36Å; R74-Y76 HydrophobicContact CB-CD1 3.86Å; R74-Y76 HydrophobicContact CB-CE1 3.59Å; R74-Y76 HydrophobicContact CB-CE2 4.35Å; R74-Y76 HydrophobicContact CB-CG 4.36Å; R74-Y76 WeakPolarHBondContact CD-OH 3.44Å; R74-Y76 HydrophobicContact CG-CE1 4.15Å; R74-Y76 WeakPolarHBondContact O-CD1 3.32Å; R74-Y76 PolarHBondContact O-N 2.85Å; R74-F78 VanDerWaalsContact NH1-CE2 3.29Å; R74-F78 VanDerWaalsContact NH1-CG 3.34Å
75G77.7Confident77.6Confident73 Ų7362.7 Ų62.775%0.75333%0.334SS*.SBendtrans70.39.5-176.100000115.2
76Y83.3Confident78.2Confident44 Ų4461.1 Ų61.117%0.17333%0.325CS..SBendtrans-138.3158.8175.761.2-97.3000111.4F48 R74 F78 V81F48-Y76 AromaticContact CE2-CE2 3.75Å; F48-Y76 HydrophobicContact CE2-CE2 3.75Å; F48-Y76 AromaticContact CE2-CZ 3.92Å; R74-Y76 HydrophobicContact CB-CD1 3.86Å; R74-Y76 HydrophobicContact CB-CE1 3.59Å; R74-Y76 HydrophobicContact CB-CE2 4.35Å; R74-Y76 HydrophobicContact CB-CG 4.36Å; R74-Y76 WeakPolarHBondContact CD-OH 3.44Å; R74-Y76 HydrophobicContact CG-CE1 4.15Å; R74-Y76 WeakPolarHBondContact O-CD1 3.32Å; R74-Y76 PolarHBondContact O-N 2.85Å; Y76-F78 HydrophobicContact CE2-CB 4.26Å; Y76-F78 HydrophobicContact CE2-CD2 4.23Å; Y76-F78 PolarHBondContact O-N 3.5Å; Y76-V81 HydrophobicContact CD2-CG2 4.15Å
77D85.1Confident79.2Confident87 Ų8762.5 Ų62.547%0.46533%0.329SS..  trans-79.5103174.6-177.616.8000111D79 S80 V81D77-D79 VanDerWaalsContact C-N 3.32Å; D77-D79 PolarHBondContact O-N 3Å; D77-D79 PolarHBondContact OD1-N 3.28Å; D77-S80 VanDerWaalsContact OD2-CB 3.26Å; D77-S80 WeakPolarHBondContact OD2-CB 3.4Å; D77-S80 PolarHBondContact OD2-OG 2.93Å; D77-V81 WeakPolarHBondContact O-CG2 3.48Å; D77-V81 PolarHBondContact O-N 3.35Å
78F87Confident80.3Confident1 Ų166.9 Ų66.90%0.00434%0.341CS..Hα-helixtrans-61.9-38.4-177.6177.7-103.3000112.7F48 P62 I64 Q70 R74 Y76 V81 V82 L110F48-F78 HydrophobicContact CE1-CE2 4.37Å; F48-F78 HydrophobicContact CE2-CD2 4.26Å; F48-F78 HydrophobicContact CE2-CE2 4.43Å; F48-F78 AromaticContact CZ-CD2 3.76Å; F48-F78 HydrophobicContact CZ-CD2 3.76Å; F48-F78 AromaticContact CZ-CE2 3.69Å; F48-F78 HydrophobicContact CZ-CE2 3.69Å; P62-F78 HydrophobicContact CG-CD2 4.3Å; P62-F78 HydrophobicContact CG-CE2 3.85Å; I64-F78 HydrophobicContact CG1-CE1 3.98Å; I64-F78 HydrophobicContact CG1-CZ 4.27Å; Q70-F78 VanDerWaalsContact NE2-CD1 3.29Å; R74-F78 VanDerWaalsContact NH1-CE2 3.29Å; R74-F78 VanDerWaalsContact NH1-CG 3.34Å; Y76-F78 HydrophobicContact CE2-CB 4.26Å; Y76-F78 HydrophobicContact CE2-CD2 4.23Å; Y76-F78 PolarHBondContact O-N 3.5Å; F78-V81 PolarHBondContact O-N 2.93Å; F78-V82 HydrophobicContact CD1-CG2 4.12Å; F78-V82 HydrophobicContact CD2-CG2 4.07Å; F78-V82 HydrophobicContact CE1-CG2 3.71Å; F78-V82 HydrophobicContact CE2-CG2 3.67Å; F78-V82 HydrophobicContact CG-CG2 4.31Å; F78-V82 HydrophobicContact CZ-CG2 3.49Å; F78-V82 VanDerWaalsContact CZ-CG2 3.49Å; F78-V82 WeakPolarHBondContact O-CG2 3.2Å; F78-V82 PolarHBondContact O-N 3.49Å; F78-L110 HydrophobicContact CE1-CD2 3.98Å
79D88.8Confident81.8Confident5 Ų559 Ų593%0.02730%0.304CS..Hα-helixtrans-68.8-41.8-174.3-664.5000110.2D77 V82 T83 R109 L110 H113D77-D79 VanDerWaalsContact C-N 3.32Å; D77-D79 PolarHBondContact O-N 3Å; D77-D79 PolarHBondContact OD1-N 3.28Å; D79-V82 PolarHBondContact O-N 3.37Å; D79-T83 WeakPolarHBondContact O-CB 3.5Å; D79-T83 PolarHBondContact O-N 3.44Å; D79-T83 PolarHBondContact O-OG1 3.46Å; D79-R109 IonicContact OD1-NH2 2.95Å; D79-R109 PolarHBondContact OD1-NH2 2.96Å; D79-R109 IonicContact OD2-CZ 2.82Å; D79-R109 IonicContact OD2-NE 3.58Å; D79-R109 PolarHBondContact OD2-NE 3.41Å; D79-R109 IonicContact OD2-NH2 3.23Å; D79-R109 PolarHBondContact OD2-NH2 3.24Å; D79-R109 VanDerWaalsContact OD2-NH2 3.13Å; D79-L110 HydrophobicContact CB-CD1 4.22Å; D79-H113 IonicContact OD2-CE1 3.82Å; D79-H113 IonicContact OD2-ND1 3.9Å
80S87.9Confident83.2Confident65 Ų6554 Ų5446%0.45528%0.284SS..Hα-helixtrans-63.2-43174.1-69.30000112.6D77 T83 F84D77-S80 VanDerWaalsContact OD2-CB 3.26Å; D77-S80 WeakPolarHBondContact OD2-CB 3.4Å; D77-S80 PolarHBondContact OD2-OG 2.93Å; S80-T83 PolarHBondContact O-N 2.89Å; S80-F84 WeakPolarHBondContact O-CB 3.41Å; S80-F84 PolarHBondContact O-N 3.42Å
81V90.9Very high84.6Confident23 Ų2355.5 Ų55.514%0.13929%0.29CS..Hα-helixtrans-66.7-42.5179176.10000111.4F48 Y76 D77 F78 T83 F84 F85F48-V81 HydrophobicContact CD2-CG1 4.26Å; F48-V81 HydrophobicContact CE1-CG1 4Å; F48-V81 HydrophobicContact CE2-CB 4.43Å; F48-V81 HydrophobicContact CE2-CG1 3.68Å; F48-V81 HydrophobicContact CZ-CB 4.19Å; F48-V81 HydrophobicContact CZ-CG1 3.53Å; Y76-V81 HydrophobicContact CD2-CG2 4.15Å; D77-V81 WeakPolarHBondContact O-CG2 3.48Å; D77-V81 PolarHBondContact O-N 3.35Å; F78-V81 PolarHBondContact O-N 2.93Å; V81-T83 VanDerWaalsContact C-N 3.3Å; V81-T83 PolarHBondContact O-N 3.2Å; V81-F84 WeakPolarHBondContact O-CB 3.18Å; V81-F84 PolarHBondContact O-N 2.84Å; V81-F85 HydrophobicContact CG1-CD2 3.8Å; V81-F85 HydrophobicContact CG1-CE2 3.59Å; V81-F85 VanDerWaalsContact O-CD2 3.23Å; V81-F85 WeakPolarHBondContact O-CD2 3.37Å; V81-F85 PolarHBondContact O-N 3.01Å
82V92.1Very high86.2Confident0 Ų047.6 Ų47.60%026%0.256CS..Hα-helixtrans-63.3-40.1175.2172.20000110.8L13 V15 F48 F78 D79 F85 A86 L110 L114L13-V82 HydrophobicContact CD2-CG1 4.23Å; V15-V82 HydrophobicContact CG2-CG1 4.19Å; F48-V82 HydrophobicContact CE1-CG2 4.22Å; F48-V82 HydrophobicContact CZ-CG2 4.2Å; F78-V82 HydrophobicContact CD1-CG2 4.12Å; F78-V82 HydrophobicContact CD2-CG2 4.07Å; F78-V82 HydrophobicContact CE1-CG2 3.71Å; F78-V82 HydrophobicContact CE2-CG2 3.67Å; F78-V82 HydrophobicContact CG-CG2 4.31Å; F78-V82 HydrophobicContact CZ-CG2 3.49Å; F78-V82 VanDerWaalsContact CZ-CG2 3.49Å; F78-V82 WeakPolarHBondContact O-CG2 3.2Å; F78-V82 PolarHBondContact O-N 3.49Å; D79-V82 PolarHBondContact O-N 3.37Å; V82-F85 PolarHBondContact O-N 3.5Å; V82-A86 VanDerWaalsContact O-CB 3.3Å; V82-A86 WeakPolarHBondContact O-CB 3.22Å; V82-A86 PolarHBondContact O-N 2.92Å; V82-L110 HydrophobicContact CB-CD1 3.96Å; V82-L110 HydrophobicContact CG1-CD1 3.87Å; V82-L110 HydrophobicContact CG1-CD2 4.32Å; V82-L110 HydrophobicContact CG1-CG 4.44Å; V82-L110 HydrophobicContact CG2-CD1 4.46Å; V82-L114 HydrophobicContact CG1-CD1 4.22Å; V82-L114 HydrophobicContact CG1-CD2 4.39Å
83T92.6Very high87.9Confident33 Ų3342.2 Ų42.220%0.20222%0.218CC..Hα-helixtrans-62-43.3175.6-560000111.3D79 S80 V81 F85 A86 D87 Y117D79-T83 WeakPolarHBondContact O-CB 3.5Å; D79-T83 PolarHBondContact O-N 3.44Å; D79-T83 PolarHBondContact O-OG1 3.46Å; S80-T83 PolarHBondContact O-N 2.89Å; V81-T83 VanDerWaalsContact C-N 3.3Å; V81-T83 PolarHBondContact O-N 3.2Å; T83-F85 VanDerWaalsContact C-N 3.33Å; T83-F85 PolarHBondContact O-N 3.32Å; T83-A86 PolarHBondContact O-N 3.41Å; T83-D87 PolarHBondContact O-N 2.96Å; T83-Y117 HydrophobicContact CG2-CE2 4.21Å
84F91.3Very high89.2Confident81 Ų8135.2 Ų35.236%0.35519%0.191SC..Hα-helixtrans-58.5-41.5175.1174.8-91.1000112.9S80 V81 R88S80-F84 WeakPolarHBondContact O-CB 3.41Å; S80-F84 PolarHBondContact O-N 3.42Å; V81-F84 WeakPolarHBondContact O-CB 3.18Å; V81-F84 PolarHBondContact O-N 2.84Å; F84-R88 PolarHBondContact O-NH1 2.91Å
85F93.4Very high90.2Very high20 Ų2034 Ų349%0.08819%0.186CC..Hα-helixtrans-74.8-36.4176-76.6-62000112.9L13 F48 I50 I59 V81 V82 T83 D87 R88 S89L13-F85 HydrophobicContact CD1-CB 3.85Å; L13-F85 HydrophobicContact CD1-CG 4.44Å; L13-F85 HydrophobicContact CD2-CB 3.88Å; L13-F85 HydrophobicContact CG-CB 4.47Å; F48-F85 HydrophobicContact CB-CE2 4.48Å; F48-F85 AromaticContact CD1-CD2 3.99Å; F48-F85 HydrophobicContact CD1-CD2 3.99Å; F48-F85 AromaticContact CD1-CE2 3.73Å; F48-F85 HydrophobicContact CD1-CE2 3.73Å; F48-F85 HydrophobicContact CE1-CD2 4.03Å; F48-F85 HydrophobicContact CE1-CE2 4.12Å; F48-F85 HydrophobicContact CG-CE2 4.1Å; I50-F85 HydrophobicContact CD1-CE1 4.01Å; I50-F85 HydrophobicContact CD1-CZ 4.41Å; I59-F85 HydrophobicContact CD1-CB 4.49Å; I59-F85 HydrophobicContact CD1-CD1 3.58Å; I59-F85 HydrophobicContact CD1-CE1 4.09Å; I59-F85 HydrophobicContact CD1-CG 4.25Å; V81-F85 HydrophobicContact CG1-CD2 3.8Å; V81-F85 HydrophobicContact CG1-CE2 3.59Å; V81-F85 VanDerWaalsContact O-CD2 3.23Å; V81-F85 WeakPolarHBondContact O-CD2 3.37Å; V81-F85 PolarHBondContact O-N 3.01Å; V82-F85 PolarHBondContact O-N 3.5Å; T83-F85 VanDerWaalsContact C-N 3.33Å; T83-F85 PolarHBondContact O-N 3.32Å; F85-D87 VanDerWaalsContact C-N 3.29Å; F85-D87 PolarHBondContact O-N 3.42Å; F85-R88 PolarHBondContact O-N 3.35Å; F85-S89 VanDerWaalsContact O-CB 3.3Å; F85-S89 WeakPolarHBondContact O-CB 3.49Å; F85-S89 PolarHBondContact O-N 3.44Å; F85-S89 PolarHBondContact O-OG 2.88Å
86A92.9Very high91Very high0 Ų030.6 Ų30.60%015%0.15CC..Hα-helixtrans-65.4-34.1178.600000112.2L13 V82 T83 R88 S89 V92 L114 Y117 K120L13-A86 HydrophobicContact CD2-CB 4.09Å; V82-A86 VanDerWaalsContact O-CB 3.3Å; V82-A86 WeakPolarHBondContact O-CB 3.22Å; V82-A86 PolarHBondContact O-N 2.92Å; T83-A86 PolarHBondContact O-N 3.41Å; A86-R88 VanDerWaalsContact C-N 3.33Å; A86-R88 PolarHBondContact O-N 2.84Å; A86-S89 PolarHBondContact O-N 3.37Å; A86-V92 HydrophobicContact CB-CG2 4.03Å; A86-L114 HydrophobicContact CB-CD2 3.39Å; A86-Y117 HydrophobicContact CB-CD2 4.22Å; A86-K120 PolarHBondContact O-NZ 3.49Å; A86-K120 VanDerWaalsContact O-NZ 3.14Å
87D89.6Confident91.3Very high71 Ų7129.4 Ų29.438%0.3815%0.147SC..Hα-helixtrans-57-47.1172.8-174.545.5000111.7T83 F85 Y117 K120T83-D87 PolarHBondContact O-N 2.96Å; F85-D87 VanDerWaalsContact C-N 3.29Å; F85-D87 PolarHBondContact O-N 3.42Å; D87-Y117 HydrophobicContact CB-CE1 4.21Å; D87-Y117 HydrophobicContact CB-CE2 4.42Å; D87-Y117 VanDerWaalsContact CB-OH 3.3Å; D87-Y117 WeakPolarHBondContact CB-OH 3.27Å; D87-Y117 VanDerWaalsContact CG-OH 3.23Å; D87-Y117 WeakPolarHBondContact OD1-CE1 3.41Å; D87-Y117 PolarHBondContact OD1-OH 2.82Å; D87-K120 PolarHBondContact O-NZ 3.43Å
88R87.6Confident91.6Very high141 Ų14125.4 Ų25.453%0.53213%0.126SC..Hα-helixtrans-85.5-15.2-177.1-72.5163.6179.663.89114.7F84 F85 A86F84-R88 PolarHBondContact O-NH1 2.91Å; F85-R88 PolarHBondContact O-N 3.35Å; A86-R88 VanDerWaalsContact C-N 3.33Å; A86-R88 PolarHBondContact O-N 2.84Å
89S91.6Very high91.6Very high1 Ų134.2 Ų34.21%0.00716%0.16CC..  trans-83.7146.8179.6-59.60000110.8F85 A86 K120F85-S89 VanDerWaalsContact O-CB 3.3Å; F85-S89 WeakPolarHBondContact O-CB 3.49Å; F85-S89 PolarHBondContact O-N 3.44Å; F85-S89 PolarHBondContact O-OG 2.88Å; A86-S89 PolarHBondContact O-N 3.37Å; S89-K120 WeakPolarHBondContact O-CD 3.26Å; S89-K120 PolarHBondContact O-NZ 3.37Å
90D91.2Very high91.3Very high27 Ų2741 Ų4114%0.14419%0.19CC..SBendtrans-83.3-30.9177-60.5-69.5000111.5S10 T11 V196 R200S10-D90 WeakPolarHBondContact CA-OD2 3.17Å; T11-D90 PolarHBondContact N-OD2 3.18Å; T11-D90 PolarHBondContact O-N 2.93Å; D90-V196 HydrophobicContact CB-CG1 4.33Å; D90-V196 HydrophobicContact CB-CG2 3.48Å; D90-V196 VanDerWaalsContact CB-CG2 3.48Å; D90-V196 WeakPolarHBondContact OD1-CG1 3.37Å; D90-R200 IonicContact OD1-NE 2.71Å; D90-R200 IonicContact OD1-NH2 3.25Å; D90-R200 PolarHBondContact OD1-NH2 3.03Å; D90-R200 IonicContact OD2-NH2 3.84Å; D90-R200 PolarHBondContact OD2-NH2 2.86Å
91K92.5Very high91.1Very high38 Ų3840.3 Ų40.317%0.16518%0.181CC..EExtended strand (participates in β ladder)trans-138.4149.9171.1-72.6-68.3-168.3155.80111.3T11 I12 L13 K120 E188 L192T11-K91 PolarHBondContact O-N 3.44Å; I12-K91 WeakPolarHBondContact CA-O 3.42Å; L13-K91 PolarHBondContact N-O 2.88Å; K91-K120 WeakPolarHBondContact CA-O 3.45Å; K91-K120 WeakPolarHBondContact CD-O 3.33Å; K91-E188 IonicContact NZ-OE1 3.97Å; K91-L192 HydrophobicContact CB-CD1 3.9Å; K91-L192 HydrophobicContact CG-CD1 3.34Å; K91-L192 HydrophobicContact CG-CG 4.37Å
92V95Very high90.6Very high1 Ų142 Ų421%0.00619%0.189CC..EExtended strand (participates in β ladder)trans-119.7115173.8-1770000108.3L13 V15 A86 F94 K120 I121 M122L13-V92 HydrophobicContact CB-CG2 4.38Å; L13-V92 HydrophobicContact CD2-CG1 4.31Å; L13-V92 HydrophobicContact CD2-CG2 4.35Å; L13-V92 CarbonylContact O-C 3.57Å; L13-V92 WeakPolarHBondContact O-CA 3.39Å; V15-V92 HydrophobicContact CG2-CG1 4.12Å; A86-V92 HydrophobicContact CB-CG2 4.03Å; V92-F94 HydrophobicContact CG1-CD2 3.94Å; V92-F94 HydrophobicContact CG1-CE2 3.79Å; V92-K120 HydrophobicContact CG2-CB 4.48Å; V92-K120 PolarHBondContact N-O 2.9Å; V92-I121 HydrophobicContact CB-CG1 4.23Å; V92-I121 CarbonylContact O-C 3.58Å; V92-I121 WeakPolarHBondContact O-CA 3.44Å; V92-M122 PolarHBondContact O-N 2.82Å
93I95.4Very high90.2Very high0 Ų042.8 Ų42.80%019%0.192CC..EExtended strand (participates in β ladder)trans-94.9113.2178.5-57.4-175.4000109.1I12 L13 I14 V15 L25 V95 M122 V124 I189I12-I93 HydrophobicContact CG2-CD1 3.5Å; I12-I93 HydrophobicContact CG2-CG1 3.68Å; L13-I93 PolarHBondContact O-N 2.9Å; I14-I93 CarbonylContact C-O 3.54Å; I14-I93 WeakPolarHBondContact CA-O 3.37Å; I14-I93 HydrophobicContact CG1-CB 4.2Å; I14-I93 HydrophobicContact CG1-CD1 4.49Å; V15-I93 PolarHBondContact N-O 3.14Å; L25-I93 HydrophobicContact CD2-CG2 4.28Å; I93-V95 HydrophobicContact CG2-CG2 3.92Å; I93-M122 CarbonylContact C-O 3.55Å; I93-M122 VanDerWaalsContact CA-O 3.3Å; I93-M122 WeakPolarHBondContact CA-O 3.46Å; I93-M122 HydrophobicContact CD1-CE 3.37Å; I93-M122 HydrophobicContact CG1-CE 3.45Å; I93-M122 VanDerWaalsContact CG1-CE 3.45Å; I93-V124 HydrophobicContact CG2-CB 4.16Å; I93-V124 HydrophobicContact CG2-CG2 3.55Å; I93-I189 HydrophobicContact CD1-CD1 4.43Å
94F94.2Very high89.8Confident2 Ų242.8 Ų42.81%0.00919%0.194CC..EExtended strand (participates in β ladder)trans-91.2115.3169.5-92.8-89000110.3V15 I64 V92 F96 L110 I111 L114 I121 M122 I123 V124V15-F94 HydrophobicContact CB-CD1 4.28Å; V15-F94 HydrophobicContact CB-CE1 4.04Å; V15-F94 HydrophobicContact CB-CE2 4.37Å; V15-F94 HydrophobicContact CB-CZ 4.09Å; V15-F94 HydrophobicContact CG1-CD1 4.21Å; V15-F94 HydrophobicContact CG1-CE1 3.58Å; V15-F94 HydrophobicContact CG1-CZ 3.76Å; V15-F94 CarbonylContact O-C 3.52Å; V15-F94 WeakPolarHBondContact O-CA 3.08Å; I64-F94 HydrophobicContact CD1-CE1 4.43Å; V92-F94 HydrophobicContact CG1-CD2 3.94Å; V92-F94 HydrophobicContact CG1-CE2 3.79Å; F94-F96 HydrophobicContact CB-CE2 3.98Å; F94-F96 HydrophobicContact CD1-CE2 4.49Å; F94-F96 HydrophobicContact CD1-CZ 4.47Å; F94-L110 HydrophobicContact CE1-CD2 4.29Å; F94-L110 HydrophobicContact CZ-CD2 4.17Å; F94-L110 HydrophobicContact CZ-CG 4.5Å; F94-I111 HydrophobicContact CE1-CG1 4.3Å; F94-I111 HydrophobicContact CZ-CG1 4.18Å; F94-L114 HydrophobicContact CE2-CD1 3.61Å; F94-L114 HydrophobicContact CZ-CD1 3.64Å; F94-I121 HydrophobicContact CD2-CD1 4.46Å; F94-I121 HydrophobicContact CD2-CG1 4.45Å; F94-I121 HydrophobicContact CD2-CG2 3.83Å; F94-I121 HydrophobicContact CE2-CD1 4.14Å; F94-I121 HydrophobicContact CE2-CG1 4.44Å; F94-M122 PolarHBondContact N-O 3.37Å; F94-I123 HydrophobicContact CB-CG1 4.41Å; F94-I123 CarbonylContact O-C 3.48Å; F94-I123 WeakPolarHBondContact O-CA 3.34Å; F94-V124 PolarHBondContact O-N 2.72Å
95V94.3Very high89.6Confident0 Ų045.2 Ų45.20%021%0.206CC..EExtended strand (participates in β ladder)trans-99.6126.1-178.8-171.60000110.1I14 V15 V20 K22 L25 I93 V124 N126I14-V95 HydrophobicContact CG2-CG2 3.8Å; V15-V95 PolarHBondContact O-N 3.15Å; V20-V95 HydrophobicContact CB-CG1 4.2Å; V20-V95 HydrophobicContact CG2-CB 3.91Å; V20-V95 HydrophobicContact CG2-CG1 3.82Å; V20-V95 WeakPolarHBondContact CG2-O 3.41Å; K22-V95 HydrophobicContact CG-CB 4.25Å; K22-V95 HydrophobicContact CG-CG2 4.29Å; L25-V95 HydrophobicContact CD2-CG2 3.67Å; I93-V95 HydrophobicContact CG2-CG2 3.92Å; V95-V124 WeakPolarHBondContact CA-O 3.23Å; V95-N126 HydrophobicContact CG1-CB 4.02Å
96F93.5Very high89.3Confident2 Ų245.5 Ų45.51%0.00921%0.209CC..EExtended strand (participates in β ladder)trans-118.6151.1173.8-68.2-85.6000110.7F94 L101 D102 F103 V107 I123 V124 L125 N126F94-F96 HydrophobicContact CB-CE2 3.98Å; F94-F96 HydrophobicContact CD1-CE2 4.49Å; F94-F96 HydrophobicContact CD1-CZ 4.47Å; F96-L101 HydrophobicContact CB-CD2 4.22Å; F96-D102 WeakPolarHBondContact CE1-O 3.15Å; F96-F103 HydrophobicContact CE1-CD1 4.09Å; F96-F103 AromaticContact CE1-CE1 3.84Å; F96-F103 HydrophobicContact CE1-CE1 3.84Å; F96-F103 HydrophobicContact CE1-CZ 4.11Å; F96-F103 HydrophobicContact CE2-CE1 4.17Å; F96-F103 HydrophobicContact CE2-CZ 4.36Å; F96-F103 HydrophobicContact CZ-CD1 4.09Å; F96-F103 AromaticContact CZ-CE1 3.54Å; F96-F103 HydrophobicContact CZ-CE1 3.54Å; F96-F103 HydrophobicContact CZ-CZ 4.02Å; F96-V107 HydrophobicContact CE1-CG1 4.19Å; F96-V107 HydrophobicContact CZ-CG1 4.16Å; F96-I123 HydrophobicContact CD2-CG2 3.86Å; F96-I123 HydrophobicContact CE2-CG2 4.14Å; F96-V124 PolarHBondContact N-O 3.04Å; F96-L125 HydrophobicContact CB-CD2 3.89Å; F96-N126 PolarHBondContact O-N 3.34Å
97D91.4Very high89.1Confident19 Ų1945.5 Ų45.510%0.10221%0.209CC..EExtended strand (participates in β ladder)trans-89.2127.7169.7-169.6-32000108.9V20 Y99 K100 L101 K127V20-D97 HydrophobicContact CB-CB 4.47Å; V20-D97 HydrophobicContact CG1-CB 4.23Å; D97-Y99 VanDerWaalsContact C-N 3.28Å; D97-Y99 PolarHBondContact O-N 3.38Å; D97-Y99 PolarHBondContact OD1-N 2.87Å; D97-K100 CarbonylContact O-C 3.6Å; D97-K100 PolarHBondContact O-N 3.34Å; D97-L101 PolarHBondContact O-N 2.97Å; D97-L101 VanDerWaalsContact O-N 3.12Å; D97-K127 WeakPolarHBondContact OD2-CD 3.44Å; D97-K127 VanDerWaalsContact OD2-CE 3.29Å; D97-K127 WeakPolarHBondContact OD2-CE 3.48Å; D97-K127 IonicContact OD2-NZ 3.45Å; D97-K127 PolarHBondContact OD2-NZ 3.49Å
98V91Very high89Confident4 Ų446.3 Ų46.32%0.02421%0.206CC..SBendtrans-61.4-35.6179.7167.20000112.4L125 N126 I128 V131 L136 V139V98-L125 HydrophobicContact CG2-CB 3.8Å; V98-L125 HydrophobicContact CG2-CD2 4.17Å; V98-L125 HydrophobicContact CG2-CG 4.49Å; V98-N126 WeakPolarHBondContact CB-O 3.4Å; V98-N126 WeakPolarHBondContact CG2-O 3.49Å; V98-N126 PolarHBondContact N-O 2.94Å; V98-I128 HydrophobicContact CG2-CB 4.39Å; V98-I128 HydrophobicContact CG2-CG2 3.5Å; V98-V131 HydrophobicContact CG1-CB 4.16Å; V98-V131 HydrophobicContact CG1-CG1 3.74Å; V98-V131 HydrophobicContact CG1-CG2 3.31Å; V98-L136 HydrophobicContact CG1-CD1 4.36Å; V98-V139 HydrophobicContact CG1-CG1 4.02Å
99Y85.9Confident89.1Confident185 Ų18542.9 Ų42.973%0.72519%0.194SC*.SBendtrans-75.3-30.4178.7-176.5-100.8000112.1D97D97-Y99 VanDerWaalsContact C-N 3.28Å; D97-Y99 PolarHBondContact O-N 3.38Å; D97-Y99 PolarHBondContact OD1-N 2.87Å
100K84.1Confident89Confident149 Ų14942.8 Ų42.865%0.64819%0.193SC*.SBendtrans-130.666.8-175.7-158.1179.6-176.7-175.40110.1D97 D102D97-K100 CarbonylContact O-C 3.6Å; D97-K100 PolarHBondContact O-N 3.34Å; K100-D102 PolarHBondContact O-N 2.81Å
101L83.6Confident89Confident50 Ų5041.6 Ų41.626%0.26219%0.187SC..  trans-60.197.1171.9-78.4177.2000109.8F96 D97 F103 L125 V139 M143F96-L101 HydrophobicContact CB-CD2 4.22Å; D97-L101 PolarHBondContact O-N 2.97Å; D97-L101 VanDerWaalsContact O-N 3.12Å; L101-F103 HydrophobicContact CD2-CE2 4.38Å; L101-L125 HydrophobicContact CD2-CD2 3.44Å; L101-L125 VanDerWaalsContact CD2-CD2 3.44Å; L101-V139 HydrophobicContact CD1-CB 4.37Å; L101-V139 HydrophobicContact CD1-CG1 3.51Å; L101-V139 HydrophobicContact CG-CG1 4.14Å; L101-M143 HydrophobicContact CD1-CB 4.14Å; L101-M143 HydrophobicContact CD2-CB 4.41Å; L101-M143 HydrophobicContact CD2-CG 4.21Å
102D80.1Confident88.8Confident58 Ų5843.4 Ų43.431%0.3120%0.198SC..  trans-106.395.1-175.8-172.31.5000110.9P17 F96 K100 S104P17-D102 HydrophobicContact CG-CB 4.44Å; F96-D102 WeakPolarHBondContact CE1-O 3.15Å; K100-D102 PolarHBondContact O-N 2.81Å; D102-S104 VanDerWaalsContact C-N 3.31Å; D102-S104 WeakPolarHBondContact OD1-CA 3.31Å; D102-S104 WeakPolarHBondContact OD1-CB 3.33Å; D102-S104 PolarHBondContact OD1-N 3.01Å; D102-S104 PolarHBondContact OD1-OG 3.29Å
103F84Confident88.6Confident16 Ų1647.7 Ų47.77%0.0722%0.218CC..  trans-97.749.3167.2-67.6-83000110.6F96 L101 R108 M143 S146 L147F96-F103 HydrophobicContact CE1-CD1 4.09Å; F96-F103 AromaticContact CE1-CE1 3.84Å; F96-F103 HydrophobicContact CE1-CE1 3.84Å; F96-F103 HydrophobicContact CE1-CZ 4.11Å; F96-F103 HydrophobicContact CE2-CE1 4.17Å; F96-F103 HydrophobicContact CE2-CZ 4.36Å; F96-F103 HydrophobicContact CZ-CD1 4.09Å; F96-F103 AromaticContact CZ-CE1 3.54Å; F96-F103 HydrophobicContact CZ-CE1 3.54Å; F96-F103 HydrophobicContact CZ-CZ 4.02Å; L101-F103 HydrophobicContact CD2-CE2 4.38Å; F103-R108 PolarHBondContact O-NE 3.18Å; F103-R108 PolarHBondContact O-NH2 3.44Å; F103-M143 HydrophobicContact CE2-CG 3.83Å; F103-M143 HydrophobicContact CZ-CG 3.66Å; F103-S146 VanDerWaalsContact CD2-CB 3.49Å; F103-L147 HydrophobicContact CE1-CD2 3.61Å; F103-L147 HydrophobicContact CE1-CG 4.3Å; F103-L147 HydrophobicContact CZ-CD2 3.87Å; F103-L147 HydrophobicContact CZ-CG 4.14Å
104S83.9Confident88.4Confident34 Ų3447.7 Ų47.724%0.23822%0.218CC..  trans-55.2160.5174.243.30000112.7D102 D106 V107 R108D102-S104 VanDerWaalsContact C-N 3.31Å; D102-S104 WeakPolarHBondContact OD1-CA 3.31Å; D102-S104 WeakPolarHBondContact OD1-CB 3.33Å; D102-S104 PolarHBondContact OD1-N 3.01Å; D102-S104 PolarHBondContact OD1-OG 3.29Å; S104-D106 PolarHBondContact O-N 3.42Å; S104-V107 PolarHBondContact O-N 3.49Å; S104-R108 PolarHBondContact O-N 2.97Å
105E85.6Confident88.1Confident131 Ų13151.3 Ų51.361%0.61224%0.235SC*.Hα-helixtrans-54.8-33.7177-68.8-58.5125.600112.3R108 R109E105-R108 PolarHBondContact O-N 3.33Å; E105-R108 IonicContact OE1-CZ 3.84Å; E105-R108 IonicContact OE1-NH1 3.96Å; E105-R108 PolarHBondContact OE1-NH1 2.96Å; E105-R109 VanDerWaalsContact O-CB 3.22Å; E105-R109 WeakPolarHBondContact O-CB 3.41Å; E105-R109 PolarHBondContact O-N 3.29Å
106D87.4Confident87.7Confident27 Ų2755.7 Ų55.714%0.14426%0.263CS..Hα-helixtrans-65.9-42.4176.3-57.3-65.5000112.3I64 S66 V67 S104 R109 L110I64-D106 HydrophobicContact CG2-CB 3.94Å; S66-D106 VanDerWaalsContact CA-OD2 3.3Å; S66-D106 WeakPolarHBondContact CA-OD2 3.39Å; V67-D106 WeakPolarHBondContact CG2-OD1 3.5Å; V67-D106 PolarHBondContact N-OD1 2.87Å; S104-D106 PolarHBondContact O-N 3.42Å; D106-R109 PolarHBondContact O-N 2.89Å; D106-L110 PolarHBondContact O-N 3Å
107V89.3Confident87.5Confident0 Ų057.8 Ų57.80%027%0.271CS..Hα-helixtrans-66.2-44.1175.7176.60000110.3P17 I64 F96 S104 R109 L110 I111P17-V107 HydrophobicContact CG-CG2 4.03Å; I64-V107 HydrophobicContact CD1-CG2 3.95Å; I64-V107 HydrophobicContact CG2-CG2 4.36Å; F96-V107 HydrophobicContact CE1-CG1 4.19Å; F96-V107 HydrophobicContact CZ-CG1 4.16Å; S104-V107 PolarHBondContact O-N 3.49Å; V107-R109 VanDerWaalsContact C-N 3.34Å; V107-R109 PolarHBondContact O-N 3.45Å; V107-L110 PolarHBondContact O-N 3.31Å; V107-I111 HydrophobicContact CG1-CD1 3.82Å; V107-I111 HydrophobicContact CG1-CG1 4.49Å; V107-I111 WeakPolarHBondContact O-CG1 3.48Å; V107-I111 PolarHBondContact O-N 3.42Å
108R88.3Confident87.3Confident87 Ų8757.4 Ų57.433%0.32827%0.269SS..Hα-helixtrans-61.4-42.9176.1-68.6-177.7179.7144.86.5111.8F103 S104 E105 L110 I111 N112 T150F103-R108 PolarHBondContact O-NE 3.18Å; F103-R108 PolarHBondContact O-NH2 3.44Å; S104-R108 PolarHBondContact O-N 2.97Å; E105-R108 PolarHBondContact O-N 3.33Å; E105-R108 IonicContact OE1-CZ 3.84Å; E105-R108 IonicContact OE1-NH1 3.96Å; E105-R108 PolarHBondContact OE1-NH1 2.96Å; R108-L110 VanDerWaalsContact C-N 3.33Å; R108-L110 PolarHBondContact O-N 2.75Å; R108-I111 PolarHBondContact O-N 3.2Å; R108-N112 WeakPolarHBondContact O-CB 3.28Å; R108-N112 VanDerWaalsContact O-CG 3.27Å; R108-N112 PolarHBondContact O-N 3.04Å; R108-N112 PolarHBondContact O-ND2 3.11Å; R108-T150 HydrophobicContact CB-CG2 4.24Å; R108-T150 HydrophobicContact CG-CG2 3.92Å
109R88.7Confident87Confident69 Ų6960.2 Ų60.226%0.2628%0.284SS..Hα-helixtrans-60.7-43.8176.5-171.7-174.671.8-173.1-5.2111.1D79 E105 D106 V107 N112 H113D79-R109 IonicContact OD1-NH2 2.95Å; D79-R109 PolarHBondContact OD1-NH2 2.96Å; D79-R109 IonicContact OD2-CZ 2.82Å; D79-R109 IonicContact OD2-NE 3.58Å; D79-R109 PolarHBondContact OD2-NE 3.41Å; D79-R109 IonicContact OD2-NH2 3.23Å; D79-R109 PolarHBondContact OD2-NH2 3.24Å; D79-R109 VanDerWaalsContact OD2-NH2 3.13Å; E105-R109 VanDerWaalsContact O-CB 3.22Å; E105-R109 WeakPolarHBondContact O-CB 3.41Å; E105-R109 PolarHBondContact O-N 3.29Å; D106-R109 PolarHBondContact O-N 2.89Å; V107-R109 VanDerWaalsContact C-N 3.34Å; V107-R109 PolarHBondContact O-N 3.45Å; R109-N112 WeakPolarHBondContact O-CB 3.21Å; R109-N112 PolarHBondContact O-N 3.02Å; R109-H113 PolarHBondContact O-N 3.48Å; R109-H113 PolarHBondContact O-ND1 2.98Å
110L90.7Very high87.2Confident0 Ų052.6 Ų52.60%026%0.255CS..Hα-helixtrans-64.6-44.1176.4-175.463.4000112.1V15 I64 F78 D79 V82 F94 D106 V107 R108 N112 H113 L114V15-L110 HydrophobicContact CG1-CD2 3.62Å; I64-L110 HydrophobicContact CD1-CD2 3.66Å; I64-L110 HydrophobicContact CG1-CD2 4.12Å; F78-L110 HydrophobicContact CE1-CD2 3.98Å; D79-L110 HydrophobicContact CB-CD1 4.22Å; V82-L110 HydrophobicContact CB-CD1 3.96Å; V82-L110 HydrophobicContact CG1-CD1 3.87Å; V82-L110 HydrophobicContact CG1-CD2 4.32Å; V82-L110 HydrophobicContact CG1-CG 4.44Å; V82-L110 HydrophobicContact CG2-CD1 4.46Å; F94-L110 HydrophobicContact CE1-CD2 4.29Å; F94-L110 HydrophobicContact CZ-CD2 4.17Å; F94-L110 HydrophobicContact CZ-CG 4.5Å; D106-L110 PolarHBondContact O-N 3Å; V107-L110 PolarHBondContact O-N 3.31Å; R108-L110 VanDerWaalsContact C-N 3.33Å; R108-L110 PolarHBondContact O-N 2.75Å; L110-N112 VanDerWaalsContact C-N 3.27Å; L110-N112 PolarHBondContact O-N 2.81Å; L110-H113 PolarHBondContact O-N 3.19Å; L110-H113 VanDerWaalsContact O-N 3.12Å; L110-L114 HydrophobicContact CG-CD1 4.34Å; L110-L114 WeakPolarHBondContact O-CG 3.43Å; L110-L114 PolarHBondContact O-N 3.11Å
111I89.7Confident87.6Confident1 Ų145.8 Ų45.81%0.00523%0.225CC..Hα-helixtrans-60.8-39.1176.6-67.6165.9000110.8F94 V107 R108 H113 L114 Q115 T150 F151F94-I111 HydrophobicContact CE1-CG1 4.3Å; F94-I111 HydrophobicContact CZ-CG1 4.18Å; V107-I111 HydrophobicContact CG1-CD1 3.82Å; V107-I111 HydrophobicContact CG1-CG1 4.49Å; V107-I111 WeakPolarHBondContact O-CG1 3.48Å; V107-I111 PolarHBondContact O-N 3.42Å; R108-I111 PolarHBondContact O-N 3.2Å; I111-H113 VanDerWaalsContact C-N 3.32Å; I111-H113 PolarHBondContact O-N 3.29Å; I111-L114 CarbonylContact O-C 3.5Å; I111-L114 WeakPolarHBondContact O-CA 3.01Å; I111-L114 PolarHBondContact O-N 3.11Å; I111-Q115 PolarHBondContact O-N 3.28Å; I111-T150 HydrophobicContact CB-CG2 4Å; I111-T150 HydrophobicContact CD1-CG2 3.78Å; I111-T150 HydrophobicContact CG2-CG2 3.84Å; I111-F151 HydrophobicContact CD1-CE2 4.11Å; I111-F151 HydrophobicContact CD1-CZ 4.43Å; I111-F151 HydrophobicContact CG2-CD2 4.35Å; I111-F151 HydrophobicContact CG2-CE1 4.25Å; I111-F151 HydrophobicContact CG2-CE2 4.03Å; I111-F151 HydrophobicContact CG2-CZ 3.98Å
112N89.1Confident88Confident76 Ų7643.4 Ų43.441%0.40621%0.213SC..Hα-helixtrans-61.7-36.7174.9-75.6-34.2000112.9R108 R109 L110 L114 Q115R108-N112 WeakPolarHBondContact O-CB 3.28Å; R108-N112 VanDerWaalsContact O-CG 3.27Å; R108-N112 PolarHBondContact O-N 3.04Å; R108-N112 PolarHBondContact O-ND2 3.11Å; R109-N112 WeakPolarHBondContact O-CB 3.21Å; R109-N112 PolarHBondContact O-N 3.02Å; L110-N112 VanDerWaalsContact C-N 3.27Å; L110-N112 PolarHBondContact O-N 2.81Å; N112-L114 VanDerWaalsContact C-N 3.33Å; N112-Q115 VanDerWaalsContact O-CB 3.3Å; N112-Q115 WeakPolarHBondContact O-CB 3.5Å; N112-Q115 PolarHBondContact O-N 2.8Å
113H89.9Confident88.6Confident92 Ų9240.7 Ų40.743%0.42620%0.198SC..Hα-helixtrans-70.5-31.1172.7-70.193.6000112.1D79 R109 L110 I111 Q115 P116D79-H113 IonicContact OD2-CE1 3.82Å; D79-H113 IonicContact OD2-ND1 3.9Å; R109-H113 PolarHBondContact O-N 3.48Å; R109-H113 PolarHBondContact O-ND1 2.98Å; L110-H113 PolarHBondContact O-N 3.19Å; L110-H113 VanDerWaalsContact O-N 3.12Å; I111-H113 VanDerWaalsContact C-N 3.32Å; I111-H113 PolarHBondContact O-N 3.29Å; H113-Q115 VanDerWaalsContact C-N 3.27Å; H113-Q115 PolarHBondContact O-N 3.47Å; H113-P116 WeakPolarHBondContact O-CD 3.48Å
114L90.9Very high89.1Confident0 Ų039.9 Ų39.90%020%0.195CC..THydrogen-bonded Turntrans-84.26.7176.6-64.4-179.9000114.3V82 A86 F94 L110 I111 N112 P116 Y117 E118 I121V82-L114 HydrophobicContact CG1-CD1 4.22Å; V82-L114 HydrophobicContact CG1-CD2 4.39Å; A86-L114 HydrophobicContact CB-CD2 3.39Å; F94-L114 HydrophobicContact CE2-CD1 3.61Å; F94-L114 HydrophobicContact CZ-CD1 3.64Å; L110-L114 HydrophobicContact CG-CD1 4.34Å; L110-L114 WeakPolarHBondContact O-CG 3.43Å; L110-L114 PolarHBondContact O-N 3.11Å; I111-L114 CarbonylContact O-C 3.5Å; I111-L114 WeakPolarHBondContact O-CA 3.01Å; I111-L114 PolarHBondContact O-N 3.11Å; N112-L114 VanDerWaalsContact C-N 3.33Å; L114-P116 VanDerWaalsContact C-N 3.28Å; L114-P116 VanDerWaalsContact O-N 3.15Å; L114-Y117 HydrophobicContact CD2-CD2 4.32Å; L114-Y117 CarbonylContact O-C 3.51Å; L114-Y117 PolarHBondContact O-N 3.01Å; L114-E118 PolarHBondContact O-N 3.39Å; L114-I121 HydrophobicContact CB-CD1 4.28Å
115Q88.5Confident89.6Confident78 Ų7838.3 Ų38.336%0.36418%0.183SC..G310 helixtrans-48.2-40.3178.9-171-170.9-27.800113.9I111 N112 H113 Y117 E118 K152I111-Q115 PolarHBondContact O-N 3.28Å; N112-Q115 VanDerWaalsContact O-CB 3.3Å; N112-Q115 WeakPolarHBondContact O-CB 3.5Å; N112-Q115 PolarHBondContact O-N 2.8Å; H113-Q115 VanDerWaalsContact C-N 3.27Å; H113-Q115 PolarHBondContact O-N 3.47Å; Q115-Y117 PolarHBondContact O-N 2.95Å; Q115-E118 WeakPolarHBondContact O-CG 3.43Å; Q115-K152 HydrophobicContact CG-CD 4.39Å
116P86.2Confident90Very high91 Ų9132 Ų3259%0.59115%0.154SC*.G310 helixtrans-65.6-20.9177.8-21.734.6000114.4H113 L114H113-P116 WeakPolarHBondContact O-CD 3.48Å; L114-P116 VanDerWaalsContact C-N 3.28Å; L114-P116 VanDerWaalsContact O-N 3.15Å
117Y89.6Confident90.2Very high46 Ų4632.8 Ų32.818%0.1816%0.156CC..G310 helixtrans-112.417.4-172.2-50.8-68.1000112.8T83 A86 D87 L114 Q115 D119 K120T83-Y117 HydrophobicContact CG2-CE2 4.21Å; A86-Y117 HydrophobicContact CB-CD2 4.22Å; D87-Y117 HydrophobicContact CB-CE1 4.21Å; D87-Y117 HydrophobicContact CB-CE2 4.42Å; D87-Y117 VanDerWaalsContact CB-OH 3.3Å; D87-Y117 WeakPolarHBondContact CB-OH 3.27Å; D87-Y117 VanDerWaalsContact CG-OH 3.23Å; D87-Y117 WeakPolarHBondContact OD1-CE1 3.41Å; D87-Y117 PolarHBondContact OD1-OH 2.82Å; L114-Y117 HydrophobicContact CD2-CD2 4.32Å; L114-Y117 CarbonylContact O-C 3.51Å; L114-Y117 PolarHBondContact O-N 3.01Å; Q115-Y117 PolarHBondContact O-N 2.95Å; Y117-D119 PolarHBondContact O-N 3.35Å; Y117-D119 VanDerWaalsContact O-N 3.12Å; Y117-K120 HydrophobicContact CD1-CD 4.45Å; Y117-K120 WeakPolarHBondContact O-CB 3.46Å; Y117-K120 PolarHBondContact O-N 2.83Å
118E86.8Confident90.3Very high11 Ų1132.8 Ų32.85%0.05116%0.156CC..G310 helixtrans-56.5-27.7-177.7-76.7179.7176.300113.5L114 Q115 K120 I121 F151 K152 R153L114-E118 PolarHBondContact O-N 3.39Å; Q115-E118 WeakPolarHBondContact O-CG 3.43Å; E118-K120 VanDerWaalsContact C-N 3.25Å; E118-K120 PolarHBondContact O-N 3.45Å; E118-I121 PolarHBondContact O-N 3.01Å; E118-F151 HydrophobicContact CB-CD1 4.28Å; E118-F151 HydrophobicContact CG-CD1 3.72Å; E118-F151 HydrophobicContact CG-CE1 4.03Å; E118-K152 PolarHBondContact OE1-N 3.41Å; E118-R153 VanDerWaalsContact OE2-CB 3.24Å; E118-R153 WeakPolarHBondContact OE2-CB 3.24Å; E118-R153 PolarHBondContact OE2-N 3.1Å
119D85.5Confident90.4Very high64 Ų6428.6 Ų28.634%0.34214%0.14SC..G310 helixtrans-68.7-23.9175.747.5-62.5000113.3Y117 I121 R153 R199Y117-D119 PolarHBondContact O-N 3.35Å; Y117-D119 VanDerWaalsContact O-N 3.12Å; D119-I121 VanDerWaalsContact C-N 3.31Å; D119-R153 IonicContact OD1-CZ 3.46Å; D119-R153 IonicContact OD1-NH1 3.45Å; D119-R153 PolarHBondContact OD1-NH1 3.49Å; D119-R153 IonicContact OD1-NH2 2.8Å; D119-R199 IonicContact OD2-NH1 3.2Å; D119-R199 IonicContact OD2-NH2 3.13Å; D119-R199 PolarHBondContact OD2-NH2 3.17Å
120K89.8Confident90.3Very high25 Ų2526.5 Ų26.511%0.10914%0.136CC..G310 helixtrans-84.6-13.5179.3-54.7-174-175.7179.90111.5A86 D87 S89 K91 V92 Y117 E118A86-K120 PolarHBondContact O-NZ 3.49Å; A86-K120 VanDerWaalsContact O-NZ 3.14Å; D87-K120 PolarHBondContact O-NZ 3.43Å; S89-K120 WeakPolarHBondContact O-CD 3.26Å; S89-K120 PolarHBondContact O-NZ 3.37Å; K91-K120 WeakPolarHBondContact CA-O 3.45Å; K91-K120 WeakPolarHBondContact CD-O 3.33Å; V92-K120 HydrophobicContact CG2-CB 4.48Å; V92-K120 PolarHBondContact N-O 2.9Å; Y117-K120 HydrophobicContact CD1-CD 4.45Å; Y117-K120 WeakPolarHBondContact O-CB 3.46Å; Y117-K120 PolarHBondContact O-N 2.83Å; E118-K120 VanDerWaalsContact C-N 3.25Å; E118-K120 PolarHBondContact O-N 3.45Å
121I91.9Very high90.1Very high5 Ų526.9 Ų26.93%0.02614%0.138CC..EExtended strand (participates in β ladder)trans-77.5127.2-173.4-65.1177.3000110.6V92 F94 L114 E118 D119 I123 F151 P157V92-I121 HydrophobicContact CB-CG1 4.23Å; V92-I121 CarbonylContact O-C 3.58Å; V92-I121 WeakPolarHBondContact O-CA 3.44Å; F94-I121 HydrophobicContact CD2-CD1 4.46Å; F94-I121 HydrophobicContact CD2-CG1 4.45Å; F94-I121 HydrophobicContact CD2-CG2 3.83Å; F94-I121 HydrophobicContact CE2-CD1 4.14Å; F94-I121 HydrophobicContact CE2-CG1 4.44Å; L114-I121 HydrophobicContact CB-CD1 4.28Å; E118-I121 PolarHBondContact O-N 3.01Å; D119-I121 VanDerWaalsContact C-N 3.31Å; I121-I123 HydrophobicContact CG2-CG1 4.27Å; I121-F151 HydrophobicContact CB-CE1 4.35Å; I121-F151 HydrophobicContact CD1-CE1 3.83Å; I121-F151 HydrophobicContact CD1-CZ 4.23Å; I121-F151 HydrophobicContact CG2-CE1 4.13Å; I121-F151 HydrophobicContact CG2-CZ 4.01Å; I121-P157 HydrophobicContact CG2-CB 4.48Å
122M92.9Very high89.9Confident1 Ų127.3 Ų27.31%0.00514%0.143CC..EExtended strand (participates in β ladder)trans-122.3135.6172.9178.1167.271.500108.2V92 I93 F94 F160 L185 E188V92-M122 PolarHBondContact O-N 2.82Å; I93-M122 CarbonylContact C-O 3.55Å; I93-M122 VanDerWaalsContact CA-O 3.3Å; I93-M122 WeakPolarHBondContact CA-O 3.46Å; I93-M122 HydrophobicContact CD1-CE 3.37Å; I93-M122 HydrophobicContact CG1-CE 3.45Å; I93-M122 VanDerWaalsContact CG1-CE 3.45Å; F94-M122 PolarHBondContact N-O 3.37Å; M122-F160 HydrophobicContact CG-CD2 3.55Å; M122-F160 HydrophobicContact CG-CE2 3.45Å; M122-F160 VanDerWaalsContact CG-CE2 3.45Å; M122-F160 HydrophobicContact SD-CD2 3.61Å; M122-F160 HydrophobicContact SD-CE2 3.17Å; M122-F160 WeakPolarHBondContact SD-CE2 3.48Å; M122-F160 HydrophobicContact SD-CZ 3.91Å; M122-L185 HydrophobicContact CE-CD1 3.49Å; M122-L185 VanDerWaalsContact CE-CD1 3.49Å; M122-L185 HydrophobicContact SD-CD1 3.82Å; M122-E188 HydrophobicContact SD-CG 4.1Å
123I93Very high89.5Confident0 Ų029.4 Ų29.40%015%0.146CC..EExtended strand (participates in β ladder)trans-107.4132.4-176.6-62.3178.5000109.2F94 F96 I121 M143 L147 P157 Q158 V159 F160F94-I123 HydrophobicContact CB-CG1 4.41Å; F94-I123 CarbonylContact O-C 3.48Å; F94-I123 WeakPolarHBondContact O-CA 3.34Å; F96-I123 HydrophobicContact CD2-CG2 3.86Å; F96-I123 HydrophobicContact CE2-CG2 4.14Å; I121-I123 HydrophobicContact CG2-CG1 4.27Å; I123-M143 HydrophobicContact CG2-SD 4.05Å; I123-L147 HydrophobicContact CD1-CD1 3.46Å; I123-L147 VanDerWaalsContact CD1-CD1 3.46Å; I123-L147 HydrophobicContact CD1-CD2 3.34Å; I123-L147 HydrophobicContact CD1-CG 4.04Å; I123-P157 HydrophobicContact CD1-CB 4.14Å; I123-P157 HydrophobicContact CD1-CG 3.59Å; I123-P157 HydrophobicContact CG1-CB 4.37Å; I123-P157 HydrophobicContact CG1-CG 4.35Å; I123-Q158 PolarHBondContact N-O 3.47Å; I123-V159 HydrophobicContact CB-CG2 4.28Å; I123-V159 HydrophobicContact CG2-CG1 4.41Å; I123-V159 CarbonylContact O-C 3.57Å; I123-V159 WeakPolarHBondContact O-CA 3.35Å; I123-F160 PolarHBondContact O-N 3.26Å
124V94.2Very high89.1Confident0 Ų030.5 Ų30.50%016%0.162CC..EExtended strand (participates in β ladder)trans-120.5113.9176.8176.20000109L25 I93 F94 V95 F96 N126 F160 F164 L185L25-V124 HydrophobicContact CD2-CG1 4.42Å; I93-V124 HydrophobicContact CG2-CB 4.16Å; I93-V124 HydrophobicContact CG2-CG2 3.55Å; F94-V124 PolarHBondContact O-N 2.72Å; V95-V124 WeakPolarHBondContact CA-O 3.23Å; F96-V124 PolarHBondContact N-O 3.04Å; V124-N126 PolarHBondContact O-N 3.25Å; V124-F160 CarbonylContact C-O 3.59Å; V124-F160 WeakPolarHBondContact CA-O 3.49Å; V124-F160 HydrophobicContact CG2-CB 4.35Å; V124-F164 HydrophobicContact CG1-CD2 3.8Å; V124-F164 HydrophobicContact CG1-CE2 3.33Å; V124-F164 HydrophobicContact CG1-CZ 4.15Å; V124-L185 HydrophobicContact CG1-CD2 4.31Å; V124-L185 HydrophobicContact CG2-CD1 3.98Å; V124-L185 HydrophobicContact CG2-CD2 3.93Å
125L93.4Very high88.8Confident0 Ų035.6 Ų35.60%019%0.186CC..EExtended strand (participates in β ladder)trans-86.5103170.1-79.5175.1000109.8F96 V98 L101 M143 V159 F160 F161 G162F96-L125 HydrophobicContact CB-CD2 3.89Å; V98-L125 HydrophobicContact CG2-CB 3.8Å; V98-L125 HydrophobicContact CG2-CD2 4.17Å; V98-L125 HydrophobicContact CG2-CG 4.49Å; L101-L125 HydrophobicContact CD2-CD2 3.44Å; L101-L125 VanDerWaalsContact CD2-CD2 3.44Å; L125-M143 HydrophobicContact CD1-CE 3.8Å; L125-M143 HydrophobicContact CD1-SD 3.42Å; L125-M143 WeakPolarHBondContact CD1-SD 3.49Å; L125-M143 HydrophobicContact CD2-SD 3.63Å; L125-M143 HydrophobicContact CG-CE 4.43Å; L125-M143 HydrophobicContact CG-SD 3.58Å; L125-M143 VanDerWaalsContact CG-SD 3.58Å; L125-V159 HydrophobicContact CD1-CG1 4.02Å; L125-V159 HydrophobicContact CG-CG1 4.36Å; L125-F160 PolarHBondContact N-O 3.01Å; L125-F161 HydrophobicContact CB-CD1 4.02Å; L125-F161 HydrophobicContact CB-CE1 4.46Å; L125-F161 HydrophobicContact CD1-CD1 3.61Å; L125-F161 HydrophobicContact CD1-CE1 3.2Å; L125-F161 HydrophobicContact CD1-CZ 3.94Å; L125-F161 HydrophobicContact CG-CD1 4.47Å; L125-F161 HydrophobicContact CG-CE1 4.42Å; L125-G162 PolarHBondContact O-N 3.31Å; L125-G162 VanDerWaalsContact O-O 3.13Å
126N93.9Very high88.7Confident0 Ų032.2 Ų32.20%017%0.171CC..EExtended strand (participates in β ladder)trans-92158.2-177.1-161.919.6000111.8V20 V95 F96 V98 V124 G162 F164V20-N126 PolarHBondContact O-ND2 3.13Å; V95-N126 HydrophobicContact CG1-CB 4.02Å; F96-N126 PolarHBondContact O-N 3.34Å; V98-N126 WeakPolarHBondContact CB-O 3.4Å; V98-N126 WeakPolarHBondContact CG2-O 3.49Å; V98-N126 PolarHBondContact N-O 2.94Å; V124-N126 PolarHBondContact O-N 3.25Å; N126-G162 CarbonylContact C-O 3.57Å; N126-G162 VanDerWaalsContact CA-O 3.25Å; N126-G162 WeakPolarHBondContact CA-O 3.41Å; N126-F164 WeakPolarHBondContact OD1-CD2 3.48Å; N126-F164 PolarHBondContact OD1-N 2.85Å
127K92.1Very high88.5Confident42 Ų4232.2 Ų32.218%0.18317%0.166CC..  trans65.934.5176.8-36.1-167.4-171.7158.90114.7S19 D97 D129 S130 G162 W165S19-K127 PolarHBondContact O-NZ 3.47Å; D97-K127 WeakPolarHBondContact OD2-CD 3.44Å; D97-K127 VanDerWaalsContact OD2-CE 3.29Å; D97-K127 WeakPolarHBondContact OD2-CE 3.48Å; D97-K127 IonicContact OD2-NZ 3.45Å; D97-K127 PolarHBondContact OD2-NZ 3.49Å; K127-D129 PolarHBondContact O-N 2.92Å; K127-D129 VanDerWaalsContact O-N 3.09Å; K127-S130 WeakPolarHBondContact O-CB 3.39Å; K127-S130 PolarHBondContact O-N 3.49Å; K127-S130 PolarHBondContact O-OG 3.29Å; K127-G162 PolarHBondContact N-O 3.37Å; K127-W165 HydrophobicContact CB-CH2 4.02Å; K127-W165 HydrophobicContact CB-CZ3 4.04Å; K127-W165 HydrophobicContact CD-CH2 4.35Å; K127-W165 HydrophobicContact CD-CZ3 3.83Å; K127-W165 HydrophobicContact CG-CH2 4.09Å; K127-W165 HydrophobicContact CG-CZ3 3.58Å
128I91.4Very high88.4Confident0 Ų038.5 Ų38.50%019%0.189CC..G310 helixtrans-59.5-21178.362.8172.1000113.4V98 S130 V131 L136 F161 G162 V178V98-I128 HydrophobicContact CG2-CB 4.39Å; V98-I128 HydrophobicContact CG2-CG2 3.5Å; I128-S130 PolarHBondContact O-N 3.46Å; I128-S130 VanDerWaalsContact O-N 3.16Å; I128-V131 WeakPolarHBondContact O-CG2 3.45Å; I128-V131 PolarHBondContact O-N 3.18Å; I128-L136 HydrophobicContact CB-CD1 4.31Å; I128-L136 HydrophobicContact CG2-CD1 3.98Å; I128-F161 HydrophobicContact CD1-CB 4.4Å; I128-F161 HydrophobicContact CG2-CB 4.17Å; I128-F161 HydrophobicContact CG2-CD1 4.46Å; I128-G162 PolarHBondContact N-O 3.09Å; I128-V178 HydrophobicContact CD1-CB 4.12Å; I128-V178 HydrophobicContact CD1-CG1 4.28Å; I128-V178 HydrophobicContact CD1-CG2 3.51Å; I128-V178 HydrophobicContact CG1-CG2 3.84Å
129D90.5Very high88.4Confident0 Ų039 Ų390%019%0.192CC..G310 helixtrans-64.6-15.8176.276.9-45.4000113.2K127 S163 W165 L169 K170 R171K127-D129 PolarHBondContact O-N 2.92Å; K127-D129 VanDerWaalsContact O-N 3.09Å; D129-S163 PolarHBondContact OD1-OG 3.3Å; D129-W165 VanDerWaalsContact OD1-CH2 3.31Å; D129-W165 WeakPolarHBondContact OD1-CH2 3.3Å; D129-W165 WeakPolarHBondContact OD1-CZ2 3.33Å; D129-W165 VanDerWaalsContact OD2-CZ2 3.26Å; D129-W165 WeakPolarHBondContact OD2-CZ2 3.48Å; D129-L169 HydrophobicContact CB-CB 4.41Å; D129-L169 HydrophobicContact CB-CD2 4.12Å; D129-K170 VanDerWaalsContact OD2-CB 3.26Å; D129-K170 WeakPolarHBondContact OD2-CB 3.42Å; D129-K170 WeakPolarHBondContact OD2-CD 3.45Å; D129-K170 WeakPolarHBondContact OD2-CG 3.41Å; D129-K170 PolarHBondContact OD2-N 3.48Å; D129-R171 PolarHBondContact O-NE 2.91Å
130S87.2Confident88.4Confident24 Ų2439.3 Ų39.317%0.16819%0.192CC..G310 helixtrans-81.6-15.5179.4-57.90000112.9K127 I128 K170 R171K127-S130 WeakPolarHBondContact O-CB 3.39Å; K127-S130 PolarHBondContact O-N 3.49Å; K127-S130 PolarHBondContact O-OG 3.29Å; I128-S130 PolarHBondContact O-N 3.46Å; I128-S130 VanDerWaalsContact O-N 3.16Å; S130-K170 PolarHBondContact OG-NZ 2.98Å; S130-R171 PolarHBondContact O-NH2 3.49Å
131V86.7Confident88.1Confident8 Ų844.5 Ų44.55%0.04822%0.217CC..SBendtrans-119.5156.5178.8-63.90000111.7V98 I128 E135 L136 R171V98-V131 HydrophobicContact CG1-CB 4.16Å; V98-V131 HydrophobicContact CG1-CG1 3.74Å; V98-V131 HydrophobicContact CG1-CG2 3.31Å; I128-V131 WeakPolarHBondContact O-CG2 3.45Å; I128-V131 PolarHBondContact O-N 3.18Å; V131-E135 HydrophobicContact CB-CB 4.09Å; V131-L136 HydrophobicContact CG2-CB 4.19Å; V131-L136 HydrophobicContact CG2-CD1 4.02Å; V131-R171 VanDerWaalsContact C-NH1 3.33Å; V131-R171 VanDerWaalsContact O-CZ 3.3Å
132G84.4Confident87.8Confident11 Ų1148.4 Ų48.411%0.11324%0.238CC..  trans-83.6166.8176.500000112.1C134 E135 L136 R171G132-C134 PolarHBondContact O-N 3.1Å; G132-E135 PolarHBondContact N-OE2 3.46Å; G132-E135 PolarHBondContact O-N 3.44Å; G132-E135 VanDerWaalsContact O-N 3.09Å; G132-L136 WeakPolarHBondContact O-CB 3.44Å; G132-L136 PolarHBondContact O-N 3.38Å; G132-R171 VanDerWaalsContact N-CZ 3.29Å
133W81.9Confident87.6Confident120 Ų12048.4 Ų48.446%0.45524%0.238SC..Hα-helixtrans-48.1-53.8174.5-8399.4000114.1E135 L136 D137 M174 I177W133-E135 VanDerWaalsContact C-N 3.26Å; W133-E135 PolarHBondContact O-N 3.44Å; W133-L136 WeakPolarHBondContact O-CB 3.47Å; W133-L136 PolarHBondContact O-N 3.24Å; W133-L136 VanDerWaalsContact O-N 3.16Å; W133-D137 PolarHBondContact O-N 3.45Å; W133-M174 HydrophobicContact CD2-CE 4.27Å; W133-M174 HydrophobicContact CD2-SD 4.05Å; W133-M174 HydrophobicContact CG-CE 4.28Å; W133-M174 HydrophobicContact CG-SD 3.66Å; W133-M174 PolarHBondContact NE1-SD 3.31Å; W133-I177 HydrophobicContact CE3-CD1 4.32Å; W133-I177 HydrophobicContact CH2-CB 4.32Å; W133-I177 HydrophobicContact CH2-CD1 2.89Å; W133-I177 HydrophobicContact CH2-CG1 3.22Å; W133-I177 HydrophobicContact CZ2-CB 4.1Å; W133-I177 HydrophobicContact CZ2-CD1 3.54Å; W133-I177 HydrophobicContact CZ2-CG1 3.27Å; W133-I177 HydrophobicContact CZ3-CD1 3.31Å; W133-I177 HydrophobicContact CZ3-CG1 4.05Å
134C81.4Confident87.2Confident114 Ų11451.4 Ų51.477%0.7725%0.253SS*.Hα-helixtrans-65.8-29.7-179.1-56.50000113G132G132-C134 PolarHBondContact O-N 3.1Å
135E84.3Confident86.8Confident108 Ų10858.9 Ų58.951%0.50528%0.281SS..Hα-helixtrans-76.2-34.3176.4-66.2174160.700111V131 G132 W133 R138 V139V131-E135 HydrophobicContact CB-CB 4.09Å; G132-E135 PolarHBondContact N-OE2 3.46Å; G132-E135 PolarHBondContact O-N 3.44Å; G132-E135 VanDerWaalsContact O-N 3.09Å; W133-E135 VanDerWaalsContact C-N 3.26Å; W133-E135 PolarHBondContact O-N 3.44Å; E135-R138 PolarHBondContact O-N 2.81Å; E135-V139 VanDerWaalsContact O-CG2 3.29Å; E135-V139 WeakPolarHBondContact O-CG2 3.29Å; E135-V139 PolarHBondContact O-N 3.21Å
136L85.9Confident86.5Confident7 Ų760.3 Ų60.34%0.03729%0.291CS..Hα-helixtrans-62.1-42.8179.7-174.263.4000111.7V98 I128 V131 G132 W133 R138 V139 Q140 F161 M174V98-L136 HydrophobicContact CG1-CD1 4.36Å; I128-L136 HydrophobicContact CB-CD1 4.31Å; I128-L136 HydrophobicContact CG2-CD1 3.98Å; V131-L136 HydrophobicContact CG2-CB 4.19Å; V131-L136 HydrophobicContact CG2-CD1 4.02Å; G132-L136 WeakPolarHBondContact O-CB 3.44Å; G132-L136 PolarHBondContact O-N 3.38Å; W133-L136 WeakPolarHBondContact O-CB 3.47Å; W133-L136 PolarHBondContact O-N 3.24Å; W133-L136 VanDerWaalsContact O-N 3.16Å; L136-R138 VanDerWaalsContact C-N 3.31Å; L136-R138 PolarHBondContact O-N 3.25Å; L136-V139 WeakPolarHBondContact O-CB 3.29Å; L136-V139 PolarHBondContact O-N 3.29Å; L136-Q140 WeakPolarHBondContact O-CB 3.36Å; L136-Q140 PolarHBondContact O-N 3.17Å; L136-F161 HydrophobicContact CD1-CD1 4.13Å; L136-F161 HydrophobicContact CD1-CE1 4.48Å; L136-M174 HydrophobicContact CD2-CE 4.09Å
137D82.6Confident86.1Confident91 Ų9160.5 Ų60.549%0.48729%0.292SS..Hα-helixtrans-59.3-44.2175.4-69.7-21.5000111W133 Q140 E141W133-D137 PolarHBondContact O-N 3.45Å; D137-Q140 WeakPolarHBondContact O-CB 3.49Å; D137-Q140 PolarHBondContact O-N 2.99Å; D137-E141 WeakPolarHBondContact O-CG 3.25Å; D137-E141 PolarHBondContact O-N 2.82Å
138R86.4Confident85.7Confident177 Ų17762.3 Ų62.367%0.66831%0.31SS*.Hα-helixtrans-67.1-38.1178-165.1179.1-176.7-176.91.2112.6E135 L136 Q140 N142E135-R138 PolarHBondContact O-N 2.81Å; L136-R138 VanDerWaalsContact C-N 3.31Å; L136-R138 PolarHBondContact O-N 3.25Å; R138-Q140 VanDerWaalsContact C-N 3.34Å; R138-N142 WeakPolarHBondContact O-CB 3.42Å; R138-N142 VanDerWaalsContact O-CG 3.22Å; R138-N142 PolarHBondContact O-N 3.47Å; R138-N142 PolarHBondContact O-ND2 3.3Å
139V86.6Confident85.3Confident21 Ų2170.7 Ų70.713%0.12734%0.342CS..Hα-helixtrans-62.4-44.8173165.40000109.8V98 L101 E135 L136 N142 M143V98-V139 HydrophobicContact CG1-CG1 4.02Å; L101-V139 HydrophobicContact CD1-CB 4.37Å; L101-V139 HydrophobicContact CD1-CG1 3.51Å; L101-V139 HydrophobicContact CG-CG1 4.14Å; E135-V139 VanDerWaalsContact O-CG2 3.29Å; E135-V139 WeakPolarHBondContact O-CG2 3.29Å; E135-V139 PolarHBondContact O-N 3.21Å; L136-V139 WeakPolarHBondContact O-CB 3.29Å; L136-V139 PolarHBondContact O-N 3.29Å; V139-N142 PolarHBondContact O-N 3.14Å; V139-M143 VanDerWaalsContact O-CB 3.31Å; V139-M143 WeakPolarHBondContact O-CB 3.31Å; V139-M143 PolarHBondContact O-N 3.27Å
140Q85.5Confident85Confident71 Ų7171 Ų7133%0.33234%0.344SS..Hα-helixtrans-61.3-48.4177.9175174.3-12.500111.3L136 D137 R138 N142 M143 M144 F161L136-Q140 WeakPolarHBondContact O-CB 3.36Å; L136-Q140 PolarHBondContact O-N 3.17Å; D137-Q140 WeakPolarHBondContact O-CB 3.49Å; D137-Q140 PolarHBondContact O-N 2.99Å; R138-Q140 VanDerWaalsContact C-N 3.34Å; Q140-N142 PolarHBondContact O-N 2.8Å; Q140-M143 PolarHBondContact O-N 3.01Å; Q140-M144 HydrophobicContact CG-CG 4.38Å; Q140-M144 WeakPolarHBondContact O-CB 3.42Å; Q140-M144 WeakPolarHBondContact O-CG 3.42Å; Q140-M144 PolarHBondContact O-N 3.1Å; Q140-F161 HydrophobicContact CB-CE1 4.15Å; Q140-F161 HydrophobicContact CB-CZ 4.16Å; Q140-F161 HydrophobicContact CG-CE1 4.32Å; Q140-F161 HydrophobicContact CG-CZ 3.82Å
141E83.9Confident84.9Confident134 Ų13470.8 Ų70.863%0.62634%0.34SS*.Hα-helixtrans-57.4-49.7176.2-73.2177177.900112D137 M143 M144 W145D137-E141 WeakPolarHBondContact O-CG 3.25Å; D137-E141 PolarHBondContact O-N 2.82Å; E141-M143 VanDerWaalsContact C-N 3.29Å; E141-M143 PolarHBondContact O-N 2.85Å; E141-M144 PolarHBondContact O-N 2.75Å; E141-W145 WeakPolarHBondContact O-CB 3.19Å; E141-W145 PolarHBondContact O-N 3.42Å
142N86.1Confident84.6Confident88 Ų8876.9 Ų76.947%0.47137%0.365SS..Hα-helixtrans-61.5-38.5178.3-74.5-24.2000112.2R138 V139 Q140 S146R138-N142 WeakPolarHBondContact O-CB 3.42Å; R138-N142 VanDerWaalsContact O-CG 3.22Å; R138-N142 PolarHBondContact O-N 3.47Å; R138-N142 PolarHBondContact O-ND2 3.3Å; V139-N142 PolarHBondContact O-N 3.14Å; Q140-N142 PolarHBondContact O-N 2.8Å; N142-S146 WeakPolarHBondContact O-CB 3.43Å; N142-S146 PolarHBondContact O-N 3.5Å; N142-S146 PolarHBondContact O-OG 3.22Å
143M88.2Confident84.2Confident0 Ų081.9 Ų81.90%038%0.381CS..Hα-helixtrans-65.9-49.4176.4-169.7-163.26200110.5L101 F103 I123 L125 V139 Q140 E141 W145 S146 L147 V159L101-M143 HydrophobicContact CD1-CB 4.14Å; L101-M143 HydrophobicContact CD2-CB 4.41Å; L101-M143 HydrophobicContact CD2-CG 4.21Å; F103-M143 HydrophobicContact CE2-CG 3.83Å; F103-M143 HydrophobicContact CZ-CG 3.66Å; I123-M143 HydrophobicContact CG2-SD 4.05Å; L125-M143 HydrophobicContact CD1-CE 3.8Å; L125-M143 HydrophobicContact CD1-SD 3.42Å; L125-M143 WeakPolarHBondContact CD1-SD 3.49Å; L125-M143 HydrophobicContact CD2-SD 3.63Å; L125-M143 HydrophobicContact CG-CE 4.43Å; L125-M143 HydrophobicContact CG-SD 3.58Å; L125-M143 VanDerWaalsContact CG-SD 3.58Å; V139-M143 VanDerWaalsContact O-CB 3.31Å; V139-M143 WeakPolarHBondContact O-CB 3.31Å; V139-M143 PolarHBondContact O-N 3.27Å; Q140-M143 PolarHBondContact O-N 3.01Å; E141-M143 VanDerWaalsContact C-N 3.29Å; E141-M143 PolarHBondContact O-N 2.85Å; M143-W145 VanDerWaalsContact C-N 3.27Å; M143-W145 PolarHBondContact O-N 3.33Å; M143-S146 CarbonylContact O-C 3.37Å; M143-S146 WeakPolarHBondContact O-CA 3.45Å; M143-S146 WeakPolarHBondContact O-CB 3.5Å; M143-S146 PolarHBondContact O-N 3.41Å; M143-L147 HydrophobicContact CE-CD1 3.74Å; M143-L147 HydrophobicContact CG-CD1 4.1Å; M143-L147 HydrophobicContact CG-CG 4.29Å; M143-L147 VanDerWaalsContact O-CG 3.32Å; M143-L147 WeakPolarHBondContact O-CG 3.4Å; M143-L147 PolarHBondContact O-N 3.47Å; M143-L147 HydrophobicContact SD-CD1 4.19Å; M143-V159 HydrophobicContact CE-CB 4.08Å; M143-V159 HydrophobicContact CE-CG1 3.37Å; M143-V159 HydrophobicContact CE-CG2 3.57Å; M143-V159 HydrophobicContact SD-CG1 4.28Å
144M85.4Confident83.7Confident64 Ų6483.1 Ų83.132%0.31540%0.401SS..Hα-helixtrans-58.9-40.5179.4-69.9-63.5-64.600111.8Q140 E141 S146 L147 S148 V156 V159Q140-M144 HydrophobicContact CG-CG 4.38Å; Q140-M144 WeakPolarHBondContact O-CB 3.42Å; Q140-M144 WeakPolarHBondContact O-CG 3.42Å; Q140-M144 PolarHBondContact O-N 3.1Å; E141-M144 PolarHBondContact O-N 2.75Å; M144-S146 VanDerWaalsContact C-N 3.32Å; M144-S146 PolarHBondContact O-N 3.16Å; M144-L147 PolarHBondContact O-N 2.96Å; M144-L147 HydrophobicContact SD-CD1 4.31Å; M144-S148 WeakPolarHBondContact O-CB 3.3Å; M144-S148 PolarHBondContact O-N 3.33Å; M144-S148 PolarHBondContact O-OG 2.93Å; M144-V156 HydrophobicContact CE-CB 4.41Å; M144-V156 HydrophobicContact CE-CG1 3.42Å; M144-V156 VanDerWaalsContact CE-CG1 3.42Å; M144-V156 HydrophobicContact CE-CG2 4.27Å; M144-V156 HydrophobicContact SD-CG1 4.09Å; M144-V159 HydrophobicContact SD-CG2 4.3Å
145W85.6Confident83.3Confident157 Ų15784.8 Ų84.860%0.59540%0.398SS*.Hα-helixtrans-63.6-35.6173.2-172.3-96.4000113.3E141 M143 S148 R149E141-W145 WeakPolarHBondContact O-CB 3.19Å; E141-W145 PolarHBondContact O-N 3.42Å; M143-W145 VanDerWaalsContact C-N 3.27Å; M143-W145 PolarHBondContact O-N 3.33Å; W145-S148 PolarHBondContact O-OG 3.02Å; W145-R149 VanDerWaalsContact NE1-NE 3.18Å; W145-R149 WeakPolarHBondContact O-CG 3.38Å
146S86.5Confident82.9Confident30 Ų3083.9 Ų83.921%0.2140%0.399CS..Hα-helixtrans-73.8-38.3176.8-59.30000111.6F103 N142 M143 M144 R149 T150F103-S146 VanDerWaalsContact CD2-CB 3.49Å; N142-S146 WeakPolarHBondContact O-CB 3.43Å; N142-S146 PolarHBondContact O-N 3.5Å; N142-S146 PolarHBondContact O-OG 3.22Å; M143-S146 CarbonylContact O-C 3.37Å; M143-S146 WeakPolarHBondContact O-CA 3.45Å; M143-S146 WeakPolarHBondContact O-CB 3.5Å; M143-S146 PolarHBondContact O-N 3.41Å; M144-S146 VanDerWaalsContact C-N 3.32Å; M144-S146 PolarHBondContact O-N 3.16Å; S146-R149 PolarHBondContact O-N 3.39Å; S146-T150 PolarHBondContact O-N 3.42Å; S146-T150 PolarHBondContact O-OG1 3.13Å
147L85.6Confident82.8Confident3 Ų384.3 Ų84.32%0.01640%0.403CS..Hα-helixtrans-65.6-43.8175.8-68174.1000111.6F103 I123 M143 M144 R149 T150 F151 V159F103-L147 HydrophobicContact CE1-CD2 3.61Å; F103-L147 HydrophobicContact CE1-CG 4.3Å; F103-L147 HydrophobicContact CZ-CD2 3.87Å; F103-L147 HydrophobicContact CZ-CG 4.14Å; I123-L147 HydrophobicContact CD1-CD1 3.46Å; I123-L147 VanDerWaalsContact CD1-CD1 3.46Å; I123-L147 HydrophobicContact CD1-CD2 3.34Å; I123-L147 HydrophobicContact CD1-CG 4.04Å; M143-L147 HydrophobicContact CE-CD1 3.74Å; M143-L147 HydrophobicContact CG-CD1 4.1Å; M143-L147 HydrophobicContact CG-CG 4.29Å; M143-L147 VanDerWaalsContact O-CG 3.32Å; M143-L147 WeakPolarHBondContact O-CG 3.4Å; M143-L147 PolarHBondContact O-N 3.47Å; M143-L147 HydrophobicContact SD-CD1 4.19Å; M144-L147 PolarHBondContact O-N 2.96Å; M144-L147 HydrophobicContact SD-CD1 4.31Å; L147-R149 PolarHBondContact O-N 3.38Å; L147-R149 VanDerWaalsContact O-N 3.16Å; L147-T150 PolarHBondContact O-N 3.12Å; L147-F151 HydrophobicContact CB-CD2 4.31Å; L147-F151 HydrophobicContact CD2-CD2 3.88Å; L147-F151 HydrophobicContact CD2-CE2 3.46Å; L147-F151 VanDerWaalsContact CD2-CE2 3.46Å; L147-F151 HydrophobicContact CD2-CZ 4.47Å; L147-F151 PolarHBondContact O-N 3.23Å; L147-V159 HydrophobicContact CD1-CG2 4.35Å
148S82.6Confident83Confident81 Ų8184.7 Ų84.757%0.56640%0.402SS*.Hα-helixtrans-63.6-22.1178.871.50000113.5M144 W145M144-S148 WeakPolarHBondContact O-CB 3.3Å; M144-S148 PolarHBondContact O-N 3.33Å; M144-S148 PolarHBondContact O-OG 2.93Å; W145-S148 PolarHBondContact O-OG 3.02Å
149R84.4Confident83.1Confident176 Ų17677.8 Ų77.866%0.66438%0.379SS*.Hα-helixtrans-87.1-21.2174.3-70.8178.1174.6-160.4-2.9113.4W145 S146 L147W145-R149 VanDerWaalsContact NE1-NE 3.18Å; W145-R149 WeakPolarHBondContact O-CG 3.38Å; S146-R149 PolarHBondContact O-N 3.39Å; L147-R149 PolarHBondContact O-N 3.38Å; L147-R149 VanDerWaalsContact O-N 3.16Å
150T84.2Confident83.4Confident7 Ų777.1 Ų77.14%0.04337%0.374CS..Hα-helixtrans-101.1-41-172.2-50.20000111.9R108 I111 S146 L147R108-T150 HydrophobicContact CB-CG2 4.24Å; R108-T150 HydrophobicContact CG-CG2 3.92Å; I111-T150 HydrophobicContact CB-CG2 4Å; I111-T150 HydrophobicContact CD1-CG2 3.78Å; I111-T150 HydrophobicContact CG2-CG2 3.84Å; S146-T150 PolarHBondContact O-N 3.42Å; S146-T150 PolarHBondContact O-OG1 3.13Å; L147-T150 PolarHBondContact O-N 3.12Å
151F84.6Confident83.6Confident19 Ų1974.3 Ų74.38%0.08336%0.361CS..  trans-84138.8178.3-74.9-102.4000110.4I111 E118 I121 L147 P157I111-F151 HydrophobicContact CD1-CE2 4.11Å; I111-F151 HydrophobicContact CD1-CZ 4.43Å; I111-F151 HydrophobicContact CG2-CD2 4.35Å; I111-F151 HydrophobicContact CG2-CE1 4.25Å; I111-F151 HydrophobicContact CG2-CE2 4.03Å; I111-F151 HydrophobicContact CG2-CZ 3.98Å; E118-F151 HydrophobicContact CB-CD1 4.28Å; E118-F151 HydrophobicContact CG-CD1 3.72Å; E118-F151 HydrophobicContact CG-CE1 4.03Å; I121-F151 HydrophobicContact CB-CE1 4.35Å; I121-F151 HydrophobicContact CD1-CE1 3.83Å; I121-F151 HydrophobicContact CD1-CZ 4.23Å; I121-F151 HydrophobicContact CG2-CE1 4.13Å; I121-F151 HydrophobicContact CG2-CZ 4.01Å; L147-F151 HydrophobicContact CB-CD2 4.31Å; L147-F151 HydrophobicContact CD2-CD2 3.88Å; L147-F151 HydrophobicContact CD2-CE2 3.46Å; L147-F151 VanDerWaalsContact CD2-CE2 3.46Å; L147-F151 HydrophobicContact CD2-CZ 4.47Å; L147-F151 PolarHBondContact O-N 3.23Å; F151-P157 HydrophobicContact CD1-CG 4.43Å; F151-P157 HydrophobicContact CE1-CG 4.2Å; F151-P157 HydrophobicContact CE2-CG 4.43Å; F151-P157 HydrophobicContact CZ-CG 4.22Å
152K80.1Confident83.9Confident135 Ų13567.9 Ų67.959%0.58733%0.331SS*.  trans-93.6-19.5179.1-70.6179-170.6165.30113Q115 E118Q115-K152 HydrophobicContact CG-CD 4.39Å; E118-K152 PolarHBondContact OE1-N 3.41Å
153R76.5Confident84.2Confident116 Ų11663.8 Ų63.844%0.43831%0.309SS..SBendtrans-65.7149.3172.3-101-174.8162.6142.4-2.8112.7E118 D119 E155E118-R153 VanDerWaalsContact OE2-CB 3.24Å; E118-R153 WeakPolarHBondContact OE2-CB 3.24Å; E118-R153 PolarHBondContact OE2-N 3.1Å; D119-R153 IonicContact OD1-CZ 3.46Å; D119-R153 IonicContact OD1-NH1 3.45Å; D119-R153 PolarHBondContact OD1-NH1 3.49Å; D119-R153 IonicContact OD1-NH2 2.8Å; R153-E155 VanDerWaalsContact C-N 3.32Å
154V71.3Confident84.3Confident147 Ų14763.8 Ų63.889%0.89131%0.309SS*.SBendtrans-72.1-28.4172-175.50000111.4
155E73.9Confident84.3Confident148 Ų14863 Ų6369%0.69230%0.303SS*.SBendtrans-82.3125.1178.2-66.1-177.1172.100110.6R153R153-E155 VanDerWaalsContact C-N 3.32Å
156V75.6Confident84.2Confident89 Ų8960.1 Ų60.154%0.53930%0.303SS..PPolyproline II helixtrans-74.9133178-1770000109.6M144M144-V156 HydrophobicContact CE-CB 4.41Å; M144-V156 HydrophobicContact CE-CG1 3.42Å; M144-V156 VanDerWaalsContact CE-CG1 3.42Å; M144-V156 HydrophobicContact CE-CG2 4.27Å; M144-V156 HydrophobicContact SD-CG1 4.09Å
157P82.8Confident84.1Confident16 Ų1666.1 Ų66.110%0.10433%0.325CS..PPolyproline II helixtrans-61.4149.4174.126.4-34.8000111.4I121 I123 F151 V159I121-P157 HydrophobicContact CG2-CB 4.48Å; I123-P157 HydrophobicContact CD1-CB 4.14Å; I123-P157 HydrophobicContact CD1-CG 3.59Å; I123-P157 HydrophobicContact CG1-CB 4.37Å; I123-P157 HydrophobicContact CG1-CG 4.35Å; F151-P157 HydrophobicContact CD1-CG 4.43Å; F151-P157 HydrophobicContact CE1-CG 4.2Å; F151-P157 HydrophobicContact CE2-CG 4.43Å; F151-P157 HydrophobicContact CZ-CG 4.22Å; P157-V159 PolarHBondContact O-N 3.11Å
158Q86.4Confident84.2Confident100 Ų10071.8 Ų71.847%0.46736%0.362SS..EExtended strand (participates in β ladder)trans-67.4134.9176.8-68.3-180-15.600110.8I123 F160I123-Q158 PolarHBondContact N-O 3.47Å; Q158-F160 HydrophobicContact CB-CE2 3.82Å; Q158-F160 HydrophobicContact CB-CZ 4.46Å
159V89.3Confident84.5Confident32 Ų3269.6 Ų69.619%0.19434%0.344CS..EExtended strand (participates in β ladder)trans-117127.6-178.2-177.60000109.5I123 L125 M143 M144 L147 P157 F161I123-V159 HydrophobicContact CB-CG2 4.28Å; I123-V159 HydrophobicContact CG2-CG1 4.41Å; I123-V159 CarbonylContact O-C 3.57Å; I123-V159 WeakPolarHBondContact O-CA 3.35Å; L125-V159 HydrophobicContact CD1-CG1 4.02Å; L125-V159 HydrophobicContact CG-CG1 4.36Å; M143-V159 HydrophobicContact CE-CB 4.08Å; M143-V159 HydrophobicContact CE-CG1 3.37Å; M143-V159 HydrophobicContact CE-CG2 3.57Å; M143-V159 HydrophobicContact SD-CG1 4.28Å; M144-V159 HydrophobicContact SD-CG2 4.3Å; L147-V159 HydrophobicContact CD1-CG2 4.35Å; P157-V159 PolarHBondContact O-N 3.11Å; V159-F161 HydrophobicContact CB-CE2 4.38Å; V159-F161 HydrophobicContact CG1-CD2 4.42Å; V159-F161 HydrophobicContact CG1-CE1 4.37Å; V159-F161 HydrophobicContact CG1-CE2 3.77Å; V159-F161 HydrophobicContact CG1-CZ 3.74Å
160F91.9Very high84.6Confident7 Ų768 Ų683%0.03134%0.341CS..EExtended strand (participates in β ladder)trans-115.8138.4176.9-64-93.8000110.2M122 I123 V124 L125 Q158 Q184 L185 E188M122-F160 HydrophobicContact CG-CD2 3.55Å; M122-F160 HydrophobicContact CG-CE2 3.45Å; M122-F160 VanDerWaalsContact CG-CE2 3.45Å; M122-F160 HydrophobicContact SD-CD2 3.61Å; M122-F160 HydrophobicContact SD-CE2 3.17Å; M122-F160 WeakPolarHBondContact SD-CE2 3.48Å; M122-F160 HydrophobicContact SD-CZ 3.91Å; I123-F160 PolarHBondContact O-N 3.26Å; V124-F160 CarbonylContact C-O 3.59Å; V124-F160 WeakPolarHBondContact CA-O 3.49Å; V124-F160 HydrophobicContact CG2-CB 4.35Å; L125-F160 PolarHBondContact N-O 3.01Å; Q158-F160 HydrophobicContact CB-CE2 3.82Å; Q158-F160 HydrophobicContact CB-CZ 4.46Å; F160-Q184 HydrophobicContact CD1-CB 4.32Å; F160-Q184 HydrophobicContact CD1-CG 4.35Å; F160-Q184 HydrophobicContact CE1-CB 4.3Å; F160-Q184 HydrophobicContact CE1-CG 3.93Å; F160-L185 HydrophobicContact CB-CB 4.25Å; F160-L185 HydrophobicContact CB-CD1 4.19Å; F160-L185 HydrophobicContact CD1-CB 3.85Å; F160-L185 HydrophobicContact CD1-CD1 4.16Å; F160-L185 HydrophobicContact CD2-CD1 4.01Å; F160-L185 HydrophobicContact CE1-CB 4.5Å; F160-L185 HydrophobicContact CE2-CD1 4.48Å; F160-L185 HydrophobicContact CG-CB 4.16Å; F160-L185 HydrophobicContact CG-CD1 3.85Å; F160-E188 HydrophobicContact CE1-CB 4.47Å; F160-E188 HydrophobicContact CZ-CB 4.22Å; F160-E188 HydrophobicContact CZ-CG 4.22Å
161F90.3Very high84.7Confident11 Ų1171.2 Ų71.25%0.04835%0.353CS..EExtended strand (participates in β ladder)trans-108.6141.4-178.7-60.9-94.9000109.2L125 I128 L136 Q140 V159 Y181L125-F161 HydrophobicContact CB-CD1 4.02Å; L125-F161 HydrophobicContact CB-CE1 4.46Å; L125-F161 HydrophobicContact CD1-CD1 3.61Å; L125-F161 HydrophobicContact CD1-CE1 3.2Å; L125-F161 HydrophobicContact CD1-CZ 3.94Å; L125-F161 HydrophobicContact CG-CD1 4.47Å; L125-F161 HydrophobicContact CG-CE1 4.42Å; I128-F161 HydrophobicContact CD1-CB 4.4Å; I128-F161 HydrophobicContact CG2-CB 4.17Å; I128-F161 HydrophobicContact CG2-CD1 4.46Å; L136-F161 HydrophobicContact CD1-CD1 4.13Å; L136-F161 HydrophobicContact CD1-CE1 4.48Å; Q140-F161 HydrophobicContact CB-CE1 4.15Å; Q140-F161 HydrophobicContact CB-CZ 4.16Å; Q140-F161 HydrophobicContact CG-CE1 4.32Å; Q140-F161 HydrophobicContact CG-CZ 3.82Å; V159-F161 HydrophobicContact CB-CE2 4.38Å; V159-F161 HydrophobicContact CG1-CD2 4.42Å; V159-F161 HydrophobicContact CG1-CE1 4.37Å; V159-F161 HydrophobicContact CG1-CE2 3.77Å; V159-F161 HydrophobicContact CG1-CZ 3.74Å; F161-Y181 HydrophobicContact CB-CD1 4.3Å; F161-Y181 HydrophobicContact CB-CD2 4.11Å; F161-Y181 HydrophobicContact CB-CG 3.95Å; F161-Y181 HydrophobicContact CD2-CD1 4.18Å; F161-Y181 HydrophobicContact CD2-CE1 4.1Å; F161-Y181 CarbonylContact O-C 3.12Å; F161-Y181 WeakPolarHBondContact O-CB 3.39Å
162G90.2Very high84.7Confident0 Ų075.1 Ų75.10%038%0.38CS..EExtended strand (participates in β ladder)trans173.7176.1175.700000114.4L125 N126 K127 I128L125-G162 PolarHBondContact O-N 3.31Å; L125-G162 VanDerWaalsContact O-O 3.13Å; N126-G162 CarbonylContact C-O 3.57Å; N126-G162 VanDerWaalsContact CA-O 3.25Å; N126-G162 WeakPolarHBondContact CA-O 3.41Å; K127-G162 PolarHBondContact N-O 3.37Å; I128-G162 PolarHBondContact N-O 3.09Å
163S92.1Very high85Confident1 Ų173.5 Ų73.51%0.00738%0.378CS..  trans-125.880.3175.2-1700000110D129 W165 Q182D129-S163 PolarHBondContact OD1-OG 3.3Å; S163-W165 VanDerWaalsContact C-N 3.32Å; S163-W165 PolarHBondContact O-N 3.29Å; S163-W165 WeakPolarHBondContact OG-CH2 3.49Å; S163-W165 WeakPolarHBondContact OG-CZ2 3.22Å; S163-Q182 PolarHBondContact O-NE2 3.27Å
164F91Very high85.2Confident0 Ų068 Ų680%036%0.357CS..  trans-82.372.4-164.7-55.9-83.6000112.3S24 L25 Y28 V124 N126 Q182 L185S24-F164 CarbonylContact C-O 3.57Å; L25-F164 HydrophobicContact CB-CB 4.31Å; L25-F164 HydrophobicContact CD1-CB 3.47Å; L25-F164 VanDerWaalsContact CD1-CB 3.47Å; L25-F164 HydrophobicContact CD1-CD1 3.77Å; L25-F164 HydrophobicContact CD1-CD2 3.84Å; L25-F164 HydrophobicContact CD1-CE1 4.48Å; L25-F164 HydrophobicContact CD1-CG 3.4Å; Y28-F164 HydrophobicContact CD1-CB 4.03Å; Y28-F164 AromaticContact CD1-CD1 3.77Å; Y28-F164 HydrophobicContact CD1-CD1 3.77Å; Y28-F164 HydrophobicContact CD1-CG 4.4Å; Y28-F164 AromaticContact CE1-CD1 3.71Å; Y28-F164 HydrophobicContact CE1-CD1 3.71Å; Y28-F164 HydrophobicContact CE1-CE1 4.5Å; Y28-F164 HydrophobicContact CG-CB 4.08Å; V124-F164 HydrophobicContact CG1-CD2 3.8Å; V124-F164 HydrophobicContact CG1-CE2 3.33Å; V124-F164 HydrophobicContact CG1-CZ 4.15Å; N126-F164 WeakPolarHBondContact OD1-CD2 3.48Å; N126-F164 PolarHBondContact OD1-N 2.85Å; F164-Q182 HydrophobicContact CD1-CG 4.1Å; F164-Q182 HydrophobicContact CE1-CB 4.12Å; F164-Q182 HydrophobicContact CE1-CG 3.66Å; F164-Q182 HydrophobicContact CZ-CG 4.12Å; F164-L185 HydrophobicContact CD1-CD2 4.08Å; F164-L185 HydrophobicContact CE1-CB 4.15Å; F164-L185 HydrophobicContact CE1-CD2 3.37Å; F164-L185 HydrophobicContact CE1-CG 4.33Å; F164-L185 HydrophobicContact CE2-CD2 4.05Å; F164-L185 HydrophobicContact CZ-CB 4.19Å; F164-L185 HydrophobicContact CZ-CD2 3.36Å; F164-L185 HydrophobicContact CZ-CG 4.39Å
165W85.2Confident85.9Confident48 Ų4865 Ų6518%0.18234%0.336CS..SBendtrans-146.5168.2172.557.648.3000110.8K127 D129 S163 K167K127-W165 HydrophobicContact CB-CH2 4.02Å; K127-W165 HydrophobicContact CB-CZ3 4.04Å; K127-W165 HydrophobicContact CD-CH2 4.35Å; K127-W165 HydrophobicContact CD-CZ3 3.83Å; K127-W165 HydrophobicContact CG-CH2 4.09Å; K127-W165 HydrophobicContact CG-CZ3 3.58Å; D129-W165 VanDerWaalsContact OD1-CH2 3.31Å; D129-W165 WeakPolarHBondContact OD1-CH2 3.3Å; D129-W165 WeakPolarHBondContact OD1-CZ2 3.33Å; D129-W165 VanDerWaalsContact OD2-CZ2 3.26Å; D129-W165 WeakPolarHBondContact OD2-CZ2 3.48Å; S163-W165 VanDerWaalsContact C-N 3.32Å; S163-W165 PolarHBondContact O-N 3.29Å; S163-W165 WeakPolarHBondContact OG-CH2 3.49Å; S163-W165 WeakPolarHBondContact OG-CZ2 3.22Å; W165-K167 HydrophobicContact CG-CB 4.31Å; W165-K167 PolarHBondContact NE1-O 2.89Å
166T83.2Confident86.2Confident97 Ų9760.5 Ų60.560%0.59533%0.329SS*.SBendtrans-87.4-5.5179.2510000114.1
167K85.2Confident86.5Confident156 Ų15657.4 Ų57.468%0.67831%0.309SS*.SBendtrans-76.4152180-63.5-178.6-178-179.70111.7W165W165-K167 HydrophobicContact CG-CB 4.31Å; W165-K167 PolarHBondContact NE1-O 2.89Å
168P86.9Confident86.5Confident121 Ų12156.7 Ų56.779%0.78630%0.304SS*.PPolyproline II helixtrans-57.4144.7172.725-34.3000111
169L89Confident86.5Confident36 Ų3655.2 Ų55.219%0.18830%0.3CS..PPolyproline II helixtrans-63.2138.2176.9-61178.1000109.8D129 R171 L175 V178D129-L169 HydrophobicContact CB-CB 4.41Å; D129-L169 HydrophobicContact CB-CD2 4.12Å; L169-R171 PolarHBondContact O-N 3.39Å; L169-L175 HydrophobicContact CD1-CB 4.12Å; L169-L175 HydrophobicContact CD1-CD1 3.6Å; L169-L175 HydrophobicContact CD1-CG 4.49Å; L169-V178 HydrophobicContact CD1-CB 4.11Å; L169-V178 HydrophobicContact CD1-CG1 4.23Å; L169-V178 HydrophobicContact CD1-CG2 4.09Å; L169-V178 HydrophobicContact CD2-CG1 4.01Å
170K87.7Confident86.1Confident141 Ų14162.3 Ų62.361%0.61332%0.323SS*.SBendtrans-59.5-32.7173.1-69.2171.5-173.4176.20111.9D129 S130D129-K170 VanDerWaalsContact OD2-CB 3.26Å; D129-K170 WeakPolarHBondContact OD2-CB 3.42Å; D129-K170 WeakPolarHBondContact OD2-CD 3.45Å; D129-K170 WeakPolarHBondContact OD2-CG 3.41Å; D129-K170 PolarHBondContact OD2-N 3.48Å; S130-K170 PolarHBondContact OG-NZ 2.98Å
171R85Confident85.7Confident75 Ų7565.3 Ų65.328%0.28334%0.335SS..  trans-12397.5-176.2-96.4-167.7-96.4-159.9-10.4110.7D129 S130 V131 G132 L169 D173 M174D129-R171 PolarHBondContact O-NE 2.91Å; S130-R171 PolarHBondContact O-NH2 3.49Å; V131-R171 VanDerWaalsContact C-NH1 3.33Å; V131-R171 VanDerWaalsContact O-CZ 3.3Å; G132-R171 VanDerWaalsContact N-CZ 3.29Å; L169-R171 PolarHBondContact O-N 3.39Å; R171-D173 VanDerWaalsContact C-OD1 3.23Å; R171-D173 WeakPolarHBondContact CA-OD1 3.31Å; R171-D173 WeakPolarHBondContact CB-OD1 3.43Å; R171-D173 WeakPolarHBondContact CG-OD1 3.43Å; R171-D173 PolarHBondContact O-N 3.18Å; R171-M174 HydrophobicContact CB-CG 4.13Å; R171-M174 PolarHBondContact O-N 3.1Å
172P85.5Confident85.7Confident101 Ų10165.2 Ų65.266%0.65634%0.335SS*.G310 helixtrans-69.6-19.8-177.827.6-33.7000113.1M174 L175P172-M174 PolarHBondContact O-N 3.18Å; P172-L175 WeakPolarHBondContact O-CB 3.4Å; P172-L175 PolarHBondContact O-N 3.39Å; P172-L175 VanDerWaalsContact O-N 3.14Å
173D85.5Confident85.5Confident101 Ų10169.3 Ų69.354%0.5436%0.356SS..G310 helixtrans-59.8-27.2172.157.7-49.3000113.1R171R171-D173 VanDerWaalsContact C-OD1 3.23Å; R171-D173 WeakPolarHBondContact CA-OD1 3.31Å; R171-D173 WeakPolarHBondContact CB-OD1 3.43Å; R171-D173 WeakPolarHBondContact CG-OD1 3.43Å; R171-D173 PolarHBondContact O-N 3.18Å
174M81.6Confident85.3Confident0 Ų074.2 Ų74.20%038%0.379CS..G310 helixtrans-84.1-5.4178.3-63.8-67.3-66.100113.7W133 L136 R171 P172 G176 I177 V178W133-M174 HydrophobicContact CD2-CE 4.27Å; W133-M174 HydrophobicContact CD2-SD 4.05Å; W133-M174 HydrophobicContact CG-CE 4.28Å; W133-M174 HydrophobicContact CG-SD 3.66Å; W133-M174 PolarHBondContact NE1-SD 3.31Å; L136-M174 HydrophobicContact CD2-CE 4.09Å; R171-M174 HydrophobicContact CB-CG 4.13Å; R171-M174 PolarHBondContact O-N 3.1Å; P172-M174 PolarHBondContact O-N 3.18Å; M174-G176 PolarHBondContact O-N 3.02Å; M174-I177 HydrophobicContact CE-CG2 4.06Å; M174-I177 PolarHBondContact O-N 3.34Å; M174-I177 VanDerWaalsContact O-N 3.08Å; M174-V178 HydrophobicContact CB-CG2 3.78Å; M174-V178 WeakPolarHBondContact O-CG2 3.33Å; M174-V178 PolarHBondContact O-N 3.37Å
175L85.3Confident85.2Confident85 Ų8574.2 Ų74.245%0.44538%0.379SS..Hα-helixtrans-54.6-48.6-167.3-179.467.7000113.6L169 P172 I177 V178 N179L169-L175 HydrophobicContact CD1-CB 4.12Å; L169-L175 HydrophobicContact CD1-CD1 3.6Å; L169-L175 HydrophobicContact CD1-CG 4.49Å; P172-L175 WeakPolarHBondContact O-CB 3.4Å; P172-L175 PolarHBondContact O-N 3.39Å; P172-L175 VanDerWaalsContact O-N 3.14Å; L175-I177 PolarHBondContact O-N 2.95Å; L175-V178 PolarHBondContact O-N 3.28Å; L175-N179 WeakPolarHBondContact O-CB 3.41Å; L175-N179 VanDerWaalsContact O-CG 3.22Å; L175-N179 PolarHBondContact O-N 2.96Å
176G81.3Confident85.4Confident54 Ų5473.1 Ų73.156%0.55738%0.377SS*.Hα-helixtrans-62.6-28.9-177.700000113.6M174 R180M174-G176 PolarHBondContact O-N 3.02Å; G176-R180 WeakPolarHBondContact O-CB 3.35Å; G176-R180 PolarHBondContact O-N 2.89Å
177I80.3Confident85.6Confident24 Ų2472.3 Ų72.312%0.12337%0.368CS..Hα-helixtrans-84.8-45.7178.8-85.3-110.1000112W133 M174 L175 N179 R180 Y181W133-I177 HydrophobicContact CE3-CD1 4.32Å; W133-I177 HydrophobicContact CH2-CB 4.32Å; W133-I177 HydrophobicContact CH2-CD1 2.89Å; W133-I177 HydrophobicContact CH2-CG1 3.22Å; W133-I177 HydrophobicContact CZ2-CB 4.1Å; W133-I177 HydrophobicContact CZ2-CD1 3.54Å; W133-I177 HydrophobicContact CZ2-CG1 3.27Å; W133-I177 HydrophobicContact CZ3-CD1 3.31Å; W133-I177 HydrophobicContact CZ3-CG1 4.05Å; M174-I177 HydrophobicContact CE-CG2 4.06Å; M174-I177 PolarHBondContact O-N 3.34Å; M174-I177 VanDerWaalsContact O-N 3.08Å; L175-I177 PolarHBondContact O-N 2.95Å; I177-N179 VanDerWaalsContact C-N 3.28Å; I177-N179 PolarHBondContact O-N 2.79Å; I177-R180 PolarHBondContact O-N 2.97Å; I177-Y181 HydrophobicContact CD1-CE2 4.1Å; I177-Y181 HydrophobicContact CG2-CD2 3.82Å; I177-Y181 HydrophobicContact CG2-CE2 3.8Å; I177-Y181 VanDerWaalsContact O-CD2 3.24Å; I177-Y181 WeakPolarHBondContact O-CD2 3.48Å; I177-Y181 PolarHBondContact O-N 3.18Å
178V84.5Confident85.8Confident0 Ų066.8 Ų66.80%034%0.344CS..Hα-helixtrans-57.3-48.4177.1176.10000109.2I128 L169 M174 L175 R180 Y181 Q182I128-V178 HydrophobicContact CD1-CB 4.12Å; I128-V178 HydrophobicContact CD1-CG1 4.28Å; I128-V178 HydrophobicContact CD1-CG2 3.51Å; I128-V178 HydrophobicContact CG1-CG2 3.84Å; L169-V178 HydrophobicContact CD1-CB 4.11Å; L169-V178 HydrophobicContact CD1-CG1 4.23Å; L169-V178 HydrophobicContact CD1-CG2 4.09Å; L169-V178 HydrophobicContact CD2-CG1 4.01Å; M174-V178 HydrophobicContact CB-CG2 3.78Å; M174-V178 WeakPolarHBondContact O-CG2 3.33Å; M174-V178 PolarHBondContact O-N 3.37Å; L175-V178 PolarHBondContact O-N 3.28Å; V178-R180 PolarHBondContact O-N 3.17Å; V178-Y181 PolarHBondContact O-N 2.87Å; V178-Q182 HydrophobicContact CG1-CG 4.15Å; V178-Q182 VanDerWaalsContact O-CB 3.28Å; V178-Q182 WeakPolarHBondContact O-CB 3.41Å; V178-Q182 WeakPolarHBondContact O-CG 3.47Å; V178-Q182 PolarHBondContact O-N 3.37Å
179N86.3Confident86Confident69 Ų6961.4 Ų61.437%0.36931%0.309SS..Hα-helixtrans-60.5-45.7178.4-70.2-5.5000111.7L175 I177 Y181 Q182 D183L175-N179 WeakPolarHBondContact O-CB 3.41Å; L175-N179 VanDerWaalsContact O-CG 3.22Å; L175-N179 PolarHBondContact O-N 2.96Å; I177-N179 VanDerWaalsContact C-N 3.28Å; I177-N179 PolarHBondContact O-N 2.79Å; N179-Y181 PolarHBondContact O-N 3.23Å; N179-Q182 PolarHBondContact O-N 2.97Å; N179-D183 WeakPolarHBondContact O-CB 3.41Å; N179-D183 VanDerWaalsContact O-CG 3.3Å; N179-D183 PolarHBondContact O-N 3.38Å
180R80Confident85.9Confident182 Ų18266.4 Ų66.469%0.68733%0.325SS*.Hα-helixtrans-59.1-46179.7-173.1-174.2-63.2-169.1-0.4112.4G176 I177 V178 Q184G176-R180 WeakPolarHBondContact O-CB 3.35Å; G176-R180 PolarHBondContact O-N 2.89Å; I177-R180 PolarHBondContact O-N 2.97Å; V178-R180 PolarHBondContact O-N 3.17Å; R180-Q184 PolarHBondContact O-N 3.08Å
181Y84.3Confident85.8Confident70 Ų7064.4 Ų64.428%0.27532%0.318SS..Hα-helixtrans-74.1-34.1179.2-71.5-68.4000112.7F161 I177 V178 N179 Q184 L185F161-Y181 HydrophobicContact CB-CD1 4.3Å; F161-Y181 HydrophobicContact CB-CD2 4.11Å; F161-Y181 HydrophobicContact CB-CG 3.95Å; F161-Y181 HydrophobicContact CD2-CD1 4.18Å; F161-Y181 HydrophobicContact CD2-CE1 4.1Å; F161-Y181 CarbonylContact O-C 3.12Å; F161-Y181 WeakPolarHBondContact O-CB 3.39Å; I177-Y181 HydrophobicContact CD1-CE2 4.1Å; I177-Y181 HydrophobicContact CG2-CD2 3.82Å; I177-Y181 HydrophobicContact CG2-CE2 3.8Å; I177-Y181 VanDerWaalsContact O-CD2 3.24Å; I177-Y181 WeakPolarHBondContact O-CD2 3.48Å; I177-Y181 PolarHBondContact O-N 3.18Å; V178-Y181 PolarHBondContact O-N 2.87Å; N179-Y181 PolarHBondContact O-N 3.23Å; Y181-Q184 WeakPolarHBondContact O-CB 3.32Å; Y181-Q184 PolarHBondContact O-N 2.85Å; Y181-L185 PolarHBondContact O-N 2.98Å
182Q88.7Confident86Confident9 Ų960.9 Ų60.94%0.04231%0.305CS..Hα-helixtrans-62.3-44.5174.4-78.2-179.7-26.600112.2Y28 S163 F164 V178 N179 Q184 L185 L186Y28-Q182 PolarHBondContact OH-OE1 3.37Å; S163-Q182 PolarHBondContact O-NE2 3.27Å; F164-Q182 HydrophobicContact CD1-CG 4.1Å; F164-Q182 HydrophobicContact CE1-CB 4.12Å; F164-Q182 HydrophobicContact CE1-CG 3.66Å; F164-Q182 HydrophobicContact CZ-CG 4.12Å; V178-Q182 HydrophobicContact CG1-CG 4.15Å; V178-Q182 VanDerWaalsContact O-CB 3.28Å; V178-Q182 WeakPolarHBondContact O-CB 3.41Å; V178-Q182 WeakPolarHBondContact O-CG 3.47Å; V178-Q182 PolarHBondContact O-N 3.37Å; N179-Q182 PolarHBondContact O-N 2.97Å; Q182-Q184 PolarHBondContact O-N 3.03Å; Q182-L185 PolarHBondContact O-N 3.03Å; Q182-L186 WeakPolarHBondContact O-CG 3.45Å; Q182-L186 PolarHBondContact O-N 2.83Å
183D86.5Confident86Confident86 Ų8657.6 Ų57.646%0.4628%0.284SS..Hα-helixtrans-58.9-38.3177.2-75.6-27.6000111.3N179 L185 L186 I187N179-D183 WeakPolarHBondContact O-CB 3.41Å; N179-D183 VanDerWaalsContact O-CG 3.3Å; N179-D183 PolarHBondContact O-N 3.38Å; D183-L185 PolarHBondContact O-N 3.21Å; D183-L186 PolarHBondContact O-N 2.9Å; D183-I187 WeakPolarHBondContact O-CB 3.45Å; D183-I187 WeakPolarHBondContact O-CD1 3.41Å; D183-I187 WeakPolarHBondContact O-CG1 2.91Å; D183-I187 PolarHBondContact O-N 3.1Å
184Q87.6Confident86Confident103 Ų10360.1 Ų60.148%0.48129%0.29SS..Hα-helixtrans-61.1-44.3177.9-158.4-174.7-17.400112.2F160 R180 Y181 Q182 I187 E188F160-Q184 HydrophobicContact CD1-CB 4.32Å; F160-Q184 HydrophobicContact CD1-CG 4.35Å; F160-Q184 HydrophobicContact CE1-CB 4.3Å; F160-Q184 HydrophobicContact CE1-CG 3.93Å; R180-Q184 PolarHBondContact O-N 3.08Å; Y181-Q184 WeakPolarHBondContact O-CB 3.32Å; Y181-Q184 PolarHBondContact O-N 2.85Å; Q182-Q184 PolarHBondContact O-N 3.03Å; Q184-I187 PolarHBondContact O-N 3.37Å; Q184-E188 PolarHBondContact O-N 3.29Å; Q184-E188 VanDerWaalsContact O-N 3.15Å
185L89.6Confident86.1Confident1 Ų163 Ų631%0.00531%0.308CS..Hα-helixtrans-64.9-44.2175.7-179.866.5000111.2L25 M122 V124 F160 F164 Y181 Q182 D183 I187 E188 I189L25-L185 HydrophobicContact CD1-CD2 4.08Å; M122-L185 HydrophobicContact CE-CD1 3.49Å; M122-L185 VanDerWaalsContact CE-CD1 3.49Å; M122-L185 HydrophobicContact SD-CD1 3.82Å; V124-L185 HydrophobicContact CG1-CD2 4.31Å; V124-L185 HydrophobicContact CG2-CD1 3.98Å; V124-L185 HydrophobicContact CG2-CD2 3.93Å; F160-L185 HydrophobicContact CB-CB 4.25Å; F160-L185 HydrophobicContact CB-CD1 4.19Å; F160-L185 HydrophobicContact CD1-CB 3.85Å; F160-L185 HydrophobicContact CD1-CD1 4.16Å; F160-L185 HydrophobicContact CD2-CD1 4.01Å; F160-L185 HydrophobicContact CE1-CB 4.5Å; F160-L185 HydrophobicContact CE2-CD1 4.48Å; F160-L185 HydrophobicContact CG-CB 4.16Å; F160-L185 HydrophobicContact CG-CD1 3.85Å; F164-L185 HydrophobicContact CD1-CD2 4.08Å; F164-L185 HydrophobicContact CE1-CB 4.15Å; F164-L185 HydrophobicContact CE1-CD2 3.37Å; F164-L185 HydrophobicContact CE1-CG 4.33Å; F164-L185 HydrophobicContact CE2-CD2 4.05Å; F164-L185 HydrophobicContact CZ-CB 4.19Å; F164-L185 HydrophobicContact CZ-CD2 3.36Å; F164-L185 HydrophobicContact CZ-CG 4.39Å; Y181-L185 PolarHBondContact O-N 2.98Å; Q182-L185 PolarHBondContact O-N 3.03Å; D183-L185 PolarHBondContact O-N 3.21Å; L185-I187 VanDerWaalsContact C-N 3.31Å; L185-I187 PolarHBondContact O-N 3.17Å; L185-E188 PolarHBondContact O-N 3.16Å; L185-I189 HydrophobicContact CD1-CD1 4.11Å; L185-I189 HydrophobicContact CD1-CG1 4.38Å; L185-I189 HydrophobicContact CD2-CD1 4.39Å; L185-I189 HydrophobicContact CG-CD1 3.9Å; L185-I189 WeakPolarHBondContact O-CG1 3.3Å; L185-I189 PolarHBondContact O-N 3.47Å
186L89.4Confident86Confident25 Ų2559.3 Ų59.313%0.13129%0.289CS..Hα-helixtrans-64.3-36.6-179.9-68.7176.8000111.9Y28 Q182 D183 R190Y28-L186 HydrophobicContact CE1-CD1 4.11Å; Y28-L186 HydrophobicContact CE1-CD2 4.2Å; Y28-L186 HydrophobicContact CE1-CG 4.43Å; Q182-L186 WeakPolarHBondContact O-CG 3.45Å; Q182-L186 PolarHBondContact O-N 2.83Å; D183-L186 PolarHBondContact O-N 2.9Å; L186-R190 VanDerWaalsContact O-CB 3.32Å; L186-R190 WeakPolarHBondContact O-CB 3.45Å; L186-R190 WeakPolarHBondContact O-CD 3.31Å; L186-R190 WeakPolarHBondContact O-CG 2.99Å; L186-R190 PolarHBondContact O-N 2.83Å
187I88.2Confident85.9Confident80 Ų8060 Ų6041%0.4128%0.277SS..Hα-helixtrans-63.4-48174.5-70.7163.1000110.5D183 Q184 L185 I189 R190 Q191D183-I187 WeakPolarHBondContact O-CB 3.45Å; D183-I187 WeakPolarHBondContact O-CD1 3.41Å; D183-I187 WeakPolarHBondContact O-CG1 2.91Å; D183-I187 PolarHBondContact O-N 3.1Å; Q184-I187 PolarHBondContact O-N 3.37Å; L185-I187 VanDerWaalsContact C-N 3.31Å; L185-I187 PolarHBondContact O-N 3.17Å; I187-I189 PolarHBondContact O-N 2.78Å; I187-R190 PolarHBondContact O-N 2.98Å; I187-Q191 HydrophobicContact CG2-CG 4.41Å; I187-Q191 VanDerWaalsContact O-CG 3.32Å; I187-Q191 WeakPolarHBondContact O-CG 3.44Å; I187-Q191 PolarHBondContact O-N 2.83Å
188E89.2Confident85.9Confident39 Ų3961.6 Ų61.618%0.18229%0.288CS..Hα-helixtrans-58.7-47.3178.3-178.367.2-169.500111.2K91 M122 F160 Q184 L185 R190 Q191 L192K91-E188 IonicContact NZ-OE1 3.97Å; M122-E188 HydrophobicContact SD-CG 4.1Å; F160-E188 HydrophobicContact CE1-CB 4.47Å; F160-E188 HydrophobicContact CZ-CB 4.22Å; F160-E188 HydrophobicContact CZ-CG 4.22Å; Q184-E188 PolarHBondContact O-N 3.29Å; Q184-E188 VanDerWaalsContact O-N 3.15Å; L185-E188 PolarHBondContact O-N 3.16Å; E188-R190 VanDerWaalsContact C-N 3.34Å; E188-R190 PolarHBondContact O-N 3.06Å; E188-Q191 PolarHBondContact O-N 3.49Å; E188-L192 PolarHBondContact O-N 3.07Å
189I89.6Confident85.6Confident9 Ų967.2 Ų67.25%0.04631%0.309CS..Hα-helixtrans-63.7-38.5177.9-65.9172.8000111.4I12 I29 L56 I93 L185 I187 L192I12-I189 HydrophobicContact CD1-CG1 4.45Å; I12-I189 HydrophobicContact CD1-CG2 4.12Å; I29-I189 HydrophobicContact CD1-CD1 3.64Å; I29-I189 HydrophobicContact CG1-CD1 4Å; I29-I189 HydrophobicContact CG2-CG2 4.31Å; L56-I189 HydrophobicContact CD2-CG2 3.89Å; I93-I189 HydrophobicContact CD1-CD1 4.43Å; L185-I189 HydrophobicContact CD1-CD1 4.11Å; L185-I189 HydrophobicContact CD1-CG1 4.38Å; L185-I189 HydrophobicContact CD2-CD1 4.39Å; L185-I189 HydrophobicContact CG-CD1 3.9Å; L185-I189 WeakPolarHBondContact O-CG1 3.3Å; L185-I189 PolarHBondContact O-N 3.47Å; I187-I189 PolarHBondContact O-N 2.78Å; I189-L192 WeakPolarHBondContact O-CB 3.45Å; I189-L192 PolarHBondContact O-N 3.49Å
190R87.6Confident85.3Confident140 Ų14065.1 Ų65.153%0.52830%0.296SS..Hα-helixtrans-67.4-34.7177.5-78.1171.3-176.6154.13.8112.7L186 I187 E188 P193 F336L186-R190 VanDerWaalsContact O-CB 3.32Å; L186-R190 WeakPolarHBondContact O-CB 3.45Å; L186-R190 WeakPolarHBondContact O-CD 3.31Å; L186-R190 WeakPolarHBondContact O-CG 2.99Å; L186-R190 PolarHBondContact O-N 2.83Å; I187-R190 PolarHBondContact O-N 2.98Å; E188-R190 VanDerWaalsContact C-N 3.34Å; E188-R190 PolarHBondContact O-N 3.06Å; R190-P193 WeakPolarHBondContact O-CD 3.43Å; R190-F336 HydrophobicContact CG-CE1 4.06Å; R190-F336 HydrophobicContact CG-CZ 4.02Å
191Q86.8Confident85.2Confident99 Ų9960.9 Ų60.946%0.46329%0.287SS..Hα-helixtrans-80-20.4179.4-69.6177.7-1.800112.7I187 E188 F194 T195I187-Q191 HydrophobicContact CG2-CG 4.41Å; I187-Q191 VanDerWaalsContact O-CG 3.32Å; I187-Q191 WeakPolarHBondContact O-CG 3.44Å; I187-Q191 PolarHBondContact O-N 2.83Å; E188-Q191 PolarHBondContact O-N 3.49Å; Q191-F194 WeakPolarHBondContact O-CA 3.5Å; Q191-F194 WeakPolarHBondContact O-CB 3.27Å; Q191-F194 PolarHBondContact O-N 2.87Å; Q191-T195 HydrophobicContact CB-CG2 4.43Å; Q191-T195 PolarHBondContact O-N 3.04Å
192L88.3Confident84.5Confident2 Ų262 Ų621%0.0130%0.298CS..Hα-helixtrans-51.7-44.7-175.5-167.5145.8000114.8I12 L56 K91 E188 I189 F194 T195 V196I12-L192 HydrophobicContact CD1-CD1 3.92Å; I12-L192 HydrophobicContact CG1-CD1 4.01Å; I12-L192 HydrophobicContact CG1-CD2 4.28Å; L56-L192 HydrophobicContact CD1-CD2 3.94Å; K91-L192 HydrophobicContact CB-CD1 3.9Å; K91-L192 HydrophobicContact CG-CD1 3.34Å; K91-L192 HydrophobicContact CG-CG 4.37Å; E188-L192 PolarHBondContact O-N 3.07Å; I189-L192 WeakPolarHBondContact O-CB 3.45Å; I189-L192 PolarHBondContact O-N 3.49Å; L192-F194 PolarHBondContact O-N 3.05Å; L192-T195 WeakPolarHBondContact CA-OG1 3.36Å; L192-T195 PolarHBondContact O-N 3.46Å; L192-T195 PolarHBondContact O-OG1 3.49Å; L192-T195 VanDerWaalsContact O-OG1 3.12Å; L192-V196 HydrophobicContact CD2-CG2 3.95Å; L192-V196 HydrophobicContact CG-CG2 4.19Å; L192-V196 WeakPolarHBondContact O-CB 3.44Å; L192-V196 WeakPolarHBondContact O-CG2 2.91Å; L192-V196 PolarHBondContact O-N 3.36Å
193P86.5Confident83.4Confident31 Ų3164.4 Ų64.420%0.20131%0.311CS..Hα-helixtrans-59-32.9175.3-24.935.7000113.7S10 K55 R190 Q197S10-P193 WeakPolarHBondContact OG-CA 3.41Å; K55-P193 HydrophobicContact CB-CB 4.48Å; K55-P193 HydrophobicContact CB-CG 4.26Å; R190-P193 WeakPolarHBondContact O-CD 3.43Å; P193-Q197 WeakPolarHBondContact O-CG 2.8Å; P193-Q197 PolarHBondContact O-N 3.16Å
194F84.4Confident82.5Confident154 Ų15463.1 Ų63.168%0.67531%0.306SS*.Hα-helixtrans-77.5-47.2177.7-178.5-98.2000111.3Q191 L192 V196 Q197 V198Q191-F194 WeakPolarHBondContact O-CA 3.5Å; Q191-F194 WeakPolarHBondContact O-CB 3.27Å; Q191-F194 PolarHBondContact O-N 2.87Å; L192-F194 PolarHBondContact O-N 3.05Å; F194-V196 VanDerWaalsContact C-N 3.33Å; F194-V196 PolarHBondContact O-N 3.25Å; F194-Q197 PolarHBondContact O-N 2.99Å; F194-V198 HydrophobicContact CD1-CG2 4.29Å; F194-V198 HydrophobicContact CE1-CG2 3.93Å; F194-V198 HydrophobicContact CE2-CG2 4.48Å; F194-V198 HydrophobicContact CZ-CG2 4.03Å; F194-V198 WeakPolarHBondContact O-CG2 3.25Å; F194-V198 PolarHBondContact O-N 3Å
195T83.7Confident81.5Confident61 Ų6160.9 Ų60.937%0.37430%0.299SS..Hα-helixtrans-64.5-37.8-177.759.80000112.2Q191 L192 V198 R199Q191-T195 HydrophobicContact CB-CG2 4.43Å; Q191-T195 PolarHBondContact O-N 3.04Å; L192-T195 WeakPolarHBondContact CA-OG1 3.36Å; L192-T195 PolarHBondContact O-N 3.46Å; L192-T195 PolarHBondContact O-OG1 3.49Å; L192-T195 VanDerWaalsContact O-OG1 3.12Å; T195-V198 PolarHBondContact O-N 2.76Å; T195-R199 WeakPolarHBondContact O-CB 3.29Å; T195-R199 PolarHBondContact O-N 3.11Å
196V83.5Confident80.1Confident8 Ų868.7 Ų68.75%0.04833%0.329CS..Hα-helixtrans-64.3-44.3175.5169.20000111.7S10 D90 L192 F194 V198 R199 R200S10-V196 WeakPolarHBondContact OG-CB 3.2Å; D90-V196 HydrophobicContact CB-CG1 4.33Å; D90-V196 HydrophobicContact CB-CG2 3.48Å; D90-V196 VanDerWaalsContact CB-CG2 3.48Å; D90-V196 WeakPolarHBondContact OD1-CG1 3.37Å; L192-V196 HydrophobicContact CD2-CG2 3.95Å; L192-V196 HydrophobicContact CG-CG2 4.19Å; L192-V196 WeakPolarHBondContact O-CB 3.44Å; L192-V196 WeakPolarHBondContact O-CG2 2.91Å; L192-V196 PolarHBondContact O-N 3.36Å; F194-V196 VanDerWaalsContact C-N 3.33Å; F194-V196 PolarHBondContact O-N 3.25Å; V196-V198 VanDerWaalsContact C-N 3.35Å; V196-V198 PolarHBondContact O-N 3.45Å; V196-R199 WeakPolarHBondContact O-CB 3.48Å; V196-R199 PolarHBondContact O-N 3.34Å; V196-R200 HydrophobicContact CG1-CG 4.35Å; V196-R200 WeakPolarHBondContact O-CG 3.26Å; V196-R200 PolarHBondContact O-N 3.42Å
197Q79.3Confident78.7Confident67 Ų6772.3 Ų72.331%0.31334%0.34SS..Hα-helixtrans-65.7-39.5179.4-68.2-65.1-14.100111.5P193 F194 R200 L201P193-Q197 WeakPolarHBondContact O-CG 2.8Å; P193-Q197 PolarHBondContact O-N 3.16Å; F194-Q197 PolarHBondContact O-N 2.99Å; Q197-R200 PolarHBondContact O-N 3.26Å; Q197-L201 WeakPolarHBondContact O-CB 3.42Å; Q197-L201 PolarHBondContact O-N 3.45Å
198V80.4Confident77.3Confident58 Ų5871.4 Ų71.435%0.35235%0.345SS..Hα-helixtrans-62.8-42.7172.4173.80000111.4F194 T195 V196 L201 N202F194-V198 HydrophobicContact CD1-CG2 4.29Å; F194-V198 HydrophobicContact CE1-CG2 3.93Å; F194-V198 HydrophobicContact CE2-CG2 4.48Å; F194-V198 HydrophobicContact CZ-CG2 4.03Å; F194-V198 WeakPolarHBondContact O-CG2 3.25Å; F194-V198 PolarHBondContact O-N 3Å; T195-V198 PolarHBondContact O-N 2.76Å; V196-V198 VanDerWaalsContact C-N 3.35Å; V196-V198 PolarHBondContact O-N 3.45Å; V198-L201 PolarHBondContact O-N 3.37Å; V198-N202 WeakPolarHBondContact O-CB 3.26Å; V198-N202 PolarHBondContact O-N 3.05Å; V198-N202 PolarHBondContact O-ND2 3.42Å
199R78.7Confident75.6Confident118 Ų11876.4 Ų76.445%0.44537%0.366SS..Hα-helixtrans-60.7-50.2174.9-178.8-178.6176.4158.34.1111.3D119 T195 V196 L201 N202 D203D119-R199 IonicContact OD2-NH1 3.2Å; D119-R199 IonicContact OD2-NH2 3.13Å; D119-R199 PolarHBondContact OD2-NH2 3.17Å; T195-R199 WeakPolarHBondContact O-CB 3.29Å; T195-R199 PolarHBondContact O-N 3.11Å; V196-R199 WeakPolarHBondContact O-CB 3.48Å; V196-R199 PolarHBondContact O-N 3.34Å; R199-L201 VanDerWaalsContact C-N 3.31Å; R199-L201 PolarHBondContact O-N 2.89Å; R199-N202 CarbonylContact O-C 3.59Å; R199-N202 WeakPolarHBondContact O-CB 3.39Å; R199-N202 PolarHBondContact O-N 2.7Å; R199-N202 VanDerWaalsContact O-N 3.09Å; R199-D203 PolarHBondContact O-N 2.87Å
200R79.4Confident73.7Confident25 Ų2578.7 Ų78.79%0.09438%0.378CS..Hα-helixtrans-59.3-42178-71.5179.8-174.41728.5111.6M1 E5 F6 A8 D90 V196 Q197 D203 V204M1-R200 HydrophobicContact CE-CG 4.18Å; E5-R200 PolarHBondContact O-NH1 3.31Å; E5-R200 VanDerWaalsContact O-NH1 3.12Å; F6-R200 HydrophobicContact CD2-CB 4.49Å; F6-R200 HydrophobicContact CE2-CB 4.29Å; F6-R200 PolarHBondContact O-NH1 3.03Å; A8-R200 PolarHBondContact O-NH1 3.34Å; D90-R200 IonicContact OD1-NE 2.71Å; D90-R200 IonicContact OD1-NH2 3.25Å; D90-R200 PolarHBondContact OD1-NH2 3.03Å; D90-R200 IonicContact OD2-NH2 3.84Å; D90-R200 PolarHBondContact OD2-NH2 2.86Å; V196-R200 HydrophobicContact CG1-CG 4.35Å; V196-R200 WeakPolarHBondContact O-CG 3.26Å; V196-R200 PolarHBondContact O-N 3.42Å; Q197-R200 PolarHBondContact O-N 3.26Å; R200-D203 PolarHBondContact O-N 3.39Å; R200-V204 WeakPolarHBondContact O-CG2 3.3Å; R200-V204 PolarHBondContact O-N 2.81Å
201L77.1Confident72.1Confident93 Ų9378 Ų7849%0.48738%0.381SS..Hα-helixtrans-60-47.7173.3177.564.4000111.2Q197 V198 R199 D203 V204 V205Q197-L201 WeakPolarHBondContact O-CB 3.42Å; Q197-L201 PolarHBondContact O-N 3.45Å; V198-L201 PolarHBondContact O-N 3.37Å; R199-L201 VanDerWaalsContact C-N 3.31Å; R199-L201 PolarHBondContact O-N 2.89Å; L201-D203 VanDerWaalsContact C-N 3.29Å; L201-D203 PolarHBondContact O-N 3.03Å; L201-V204 PolarHBondContact O-N 3.49Å; L201-V205 HydrophobicContact CD1-CG2 4.37Å; L201-V205 VanDerWaalsContact O-CG2 3.31Å; L201-V205 WeakPolarHBondContact O-CG2 3.47Å; L201-V205 PolarHBondContact O-N 3.15Å
202N69.8Low70.9Confident94 Ų9475.1 Ų75.150%0.50337%0.368SS..Hα-helixtrans-62.6-36176.9-76-29.9000112.2V198 R199 V205 R206V198-N202 WeakPolarHBondContact O-CB 3.26Å; V198-N202 PolarHBondContact O-N 3.05Å; V198-N202 PolarHBondContact O-ND2 3.42Å; R199-N202 CarbonylContact O-C 3.59Å; R199-N202 WeakPolarHBondContact O-CB 3.39Å; R199-N202 PolarHBondContact O-N 2.7Å; R199-N202 VanDerWaalsContact O-N 3.09Å; N202-V205 PolarHBondContact O-N 3.17Å; N202-R206 WeakPolarHBondContact O-CB 3.19Å; N202-R206 PolarHBondContact O-N 2.96Å
203D66.4Low70.3Confident59 Ų5976.3 Ų76.332%0.31637%0.373SS..Hα-helixtrans-69.6-34.6175-70.3-26.3000112R199 R200 L201 R207R199-D203 PolarHBondContact O-N 2.87Å; R200-D203 PolarHBondContact O-N 3.39Å; L201-D203 VanDerWaalsContact C-N 3.29Å; L201-D203 PolarHBondContact O-N 3.03Å; D203-R207 VanDerWaalsContact O-CB 3.3Å; D203-R207 WeakPolarHBondContact O-CB 3.18Å; D203-R207 WeakPolarHBondContact O-CG 3.42Å; D203-R207 PolarHBondContact O-N 3.02Å; D203-R207 PolarHBondContact O-NE 3.3Å
204V66.7Low69.5Low59 Ų5978.4 Ų78.436%0.35839%0.387SS..Hα-helixtrans-67.1-46.7170.6171.20000110.4F6 R200 L201 R206 R207 A208F6-V204 HydrophobicContact CD2-CG2 4.3Å; F6-V204 HydrophobicContact CE2-CG2 4.08Å; R200-V204 WeakPolarHBondContact O-CG2 3.3Å; R200-V204 PolarHBondContact O-N 2.81Å; L201-V204 PolarHBondContact O-N 3.49Å; V204-R206 VanDerWaalsContact C-N 3.3Å; V204-R206 PolarHBondContact O-N 3.39Å; V204-R207 PolarHBondContact O-N 3.44Å; V204-A208 VanDerWaalsContact O-CB 3.31Å; V204-A208 WeakPolarHBondContact O-CB 3.41Å; V204-A208 PolarHBondContact O-N 3.15Å
205V67.6Low69.1Low56 Ų5674.7 Ų74.734%0.33938%0.375SS..Hα-helixtrans-62.6-39.4176.3171.40000110.8L201 N202 A208 K209L201-V205 HydrophobicContact CD1-CG2 4.37Å; L201-V205 VanDerWaalsContact O-CG2 3.31Å; L201-V205 WeakPolarHBondContact O-CG2 3.47Å; L201-V205 PolarHBondContact O-N 3.15Å; N202-V205 PolarHBondContact O-N 3.17Å; V205-A208 PolarHBondContact O-N 3.48Å; V205-K209 HydrophobicContact CG1-CD 4.18Å; V205-K209 WeakPolarHBondContact O-CB 3.37Å; V205-K209 VanDerWaalsContact O-CG 3.25Å; V205-K209 WeakPolarHBondContact O-CG 3.49Å; V205-K209 PolarHBondContact O-N 3.06Å
206R59.5Low68.9Low166 Ų16671.8 Ų71.863%0.62636%0.357SS*.Hα-helixtrans-66.2-44.8176.1-170.4-178.6-179.1-172.7-0.3110.3N202 V204 K209 L210N202-R206 WeakPolarHBondContact O-CB 3.19Å; N202-R206 PolarHBondContact O-N 2.96Å; V204-R206 VanDerWaalsContact C-N 3.3Å; V204-R206 PolarHBondContact O-N 3.39Å; R206-K209 CarbonylContact O-C 3.56Å; R206-K209 PolarHBondContact O-N 2.91Å; R206-L210 HydrophobicContact CG-CD1 3.89Å; R206-L210 HydrophobicContact CG-CG 4.42Å; R206-L210 VanDerWaalsContact O-CB 3.22Å; R206-L210 WeakPolarHBondContact O-CB 3.21Å; R206-L210 WeakPolarHBondContact O-CD1 3.34Å; R206-L210 WeakPolarHBondContact O-CG 3.41Å; R206-L210 PolarHBondContact O-N 2.89Å
207R59.4Low68.8Low100 Ų10072.7 Ų72.738%0.37736%0.363SS..Hα-helixtrans-62.9-40.1173.8-80.3-179.3-73.6-169.7-2.1112.9M1 D203 V204 K209 L210 H211M1-R207 PolarHBondContact SD-NH2 3.31Å; D203-R207 VanDerWaalsContact O-CB 3.3Å; D203-R207 WeakPolarHBondContact O-CB 3.18Å; D203-R207 WeakPolarHBondContact O-CG 3.42Å; D203-R207 PolarHBondContact O-N 3.02Å; D203-R207 PolarHBondContact O-NE 3.3Å; V204-R207 PolarHBondContact O-N 3.44Å; R207-K209 VanDerWaalsContact C-N 3.33Å; R207-K209 PolarHBondContact O-N 3.3Å; R207-L210 CarbonylContact O-C 3.51Å; R207-L210 WeakPolarHBondContact O-CA 3.49Å; R207-L210 WeakPolarHBondContact O-CB 3.2Å; R207-L210 PolarHBondContact O-N 2.95Å; R207-L210 VanDerWaalsContact O-N 3.08Å; R207-H211 PolarHBondContact O-CD2 3Å; R207-H211 VanDerWaalsContact O-CD2 3.28Å; R207-H211 PolarHBondContact O-N 3.45Å
208A59.2Low68.8Low62 Ų6274.4 Ų74.451%0.51238%0.375SS..Hα-helixtrans-65.9-36.5174.800000112.1V204 V205 L210V204-A208 VanDerWaalsContact O-CB 3.31Å; V204-A208 WeakPolarHBondContact O-CB 3.41Å; V204-A208 PolarHBondContact O-N 3.15Å; V205-A208 PolarHBondContact O-N 3.48Å; A208-L210 VanDerWaalsContact C-N 3.32Å
209K53.7Low69Low143 Ų14373.5 Ų73.562%0.62237%0.367SS*.Hα-helixtrans-71.3-27.9169.9-73.8174.1-179.3178.70112.5V205 R206 R207V205-K209 HydrophobicContact CG1-CD 4.18Å; V205-K209 WeakPolarHBondContact O-CB 3.37Å; V205-K209 VanDerWaalsContact O-CG 3.25Å; V205-K209 WeakPolarHBondContact O-CG 3.49Å; V205-K209 PolarHBondContact O-N 3.06Å; R206-K209 CarbonylContact O-C 3.56Å; R206-K209 PolarHBondContact O-N 2.91Å; R207-K209 VanDerWaalsContact C-N 3.33Å; R207-K209 PolarHBondContact O-N 3.3Å
210L49.7Very low69.3Low57 Ų5767.9 Ų67.930%0.29835%0.346SS..Hα-helixtrans-79.4-20.8178.2-80.5165.8000111.9R206 R207 A208 D212 P299 P301R206-L210 HydrophobicContact CG-CD1 3.89Å; R206-L210 HydrophobicContact CG-CG 4.42Å; R206-L210 VanDerWaalsContact O-CB 3.22Å; R206-L210 WeakPolarHBondContact O-CB 3.21Å; R206-L210 WeakPolarHBondContact O-CD1 3.34Å; R206-L210 WeakPolarHBondContact O-CG 3.41Å; R206-L210 PolarHBondContact O-N 2.89Å; R207-L210 CarbonylContact O-C 3.51Å; R207-L210 WeakPolarHBondContact O-CA 3.49Å; R207-L210 WeakPolarHBondContact O-CB 3.2Å; R207-L210 PolarHBondContact O-N 2.95Å; R207-L210 VanDerWaalsContact O-N 3.08Å; A208-L210 VanDerWaalsContact C-N 3.32Å; L210-D212 PolarHBondContact O-N 2.92Å; L210-P299 HydrophobicContact CD2-CB 4.17Å; L210-P301 HydrophobicContact CB-CB 4.39Å; L210-P301 HydrophobicContact CB-CG 3.57Å; L210-P301 HydrophobicContact CD2-CG 3.58Å; L210-P301 HydrophobicContact CG-CG 4.09Å; L210-P301 CarbonylContact O-C 3.59Å; L210-P301 WeakPolarHBondContact O-CB 3.43Å; L210-P301 WeakPolarHBondContact O-CG 3.24Å
211H53.1Low69.6Low127 Ų12771 Ų7159%0.58836%0.364SS*.  trans-68.138.8171.3-89.3-73000113.7R207 W213 C214R207-H211 PolarHBondContact O-CD2 3Å; R207-H211 VanDerWaalsContact O-CD2 3.28Å; R207-H211 PolarHBondContact O-N 3.45Å; H211-W213 VanDerWaalsContact C-N 3.32Å; H211-W213 PolarHBondContact O-N 3.45Å; H211-C214 PolarHBondContact O-N 3.13Å
212D63.3Low70Confident37 Ų3774 Ų7420%0.19837%0.373CS..Hα-helixtrans-73.1-18.9-169.3-93.3-22.7000113.2L210 C214 N215 V216 W283 L302L210-D212 PolarHBondContact O-N 2.92Å; D212-C214 VanDerWaalsContact C-N 3.26Å; D212-C214 PolarHBondContact O-N 2.87Å; D212-N215 CarbonylContact O-C 3.59Å; D212-N215 WeakPolarHBondContact O-CA 3.39Å; D212-N215 WeakPolarHBondContact O-CB 3.1Å; D212-N215 PolarHBondContact O-N 3.1Å; D212-N215 PolarHBondContact OD1-ND2 3.35Å; D212-V216 WeakPolarHBondContact O-CB 3.28Å; D212-V216 WeakPolarHBondContact O-CG2 3.45Å; D212-V216 PolarHBondContact O-N 3.44Å; D212-W283 HydrophobicContact CB-CZ2 4.37Å; D212-L302 HydrophobicContact CB-CD1 3.34Å
213W74.1Confident70.9Confident27 Ų2772.3 Ų72.310%0.10237%0.368CS..Hα-helixtrans-59.5-38.3174.3-168.2-104000112.7H211 N215 V216 S217 E276 L280 P301 P304 P305H211-W213 VanDerWaalsContact C-N 3.32Å; H211-W213 PolarHBondContact O-N 3.45Å; W213-N215 VanDerWaalsContact C-N 3.33Å; W213-N215 PolarHBondContact O-N 3.33Å; W213-V216 HydrophobicContact CE3-CB 4.37Å; W213-V216 HydrophobicContact CE3-CG1 4.31Å; W213-V216 HydrophobicContact CZ3-CG1 4.22Å; W213-V216 WeakPolarHBondContact O-CB 3.46Å; W213-V216 PolarHBondContact O-N 3.39Å; W213-S217 WeakPolarHBondContact O-CB 3.45Å; W213-S217 PolarHBondContact O-N 3.46Å; W213-E276 HydrophobicContact CH2-CB 3.67Å; W213-E276 WeakPolarHBondContact CH2-O 3.39Å; W213-E276 HydrophobicContact CZ2-CB 3.66Å; W213-E276 HydrophobicContact CZ2-CG 4.03Å; W213-L280 HydrophobicContact CZ3-CB 4.13Å; W213-P301 PolarHBondContact N-O 3.42Å; W213-P304 HydrophobicContact CH2-CB 3.79Å; W213-P304 HydrophobicContact CH2-CG 3.76Å; W213-P304 HydrophobicContact CZ2-CB 4.22Å; W213-P304 HydrophobicContact CZ3-CB 4.07Å; W213-P304 HydrophobicContact CZ3-CG 3.8Å; W213-P305 HydrophobicContact CG-CG 4.4Å
214C71.5Confident72Confident75 Ų7576.6 Ų76.651%0.50738%0.38SS..Hα-helixtrans-62.9-42174.5-64.30000111.2H211 D212 S217 D218H211-C214 PolarHBondContact O-N 3.13Å; D212-C214 VanDerWaalsContact C-N 3.26Å; D212-C214 PolarHBondContact O-N 2.87Å; C214-S217 PolarHBondContact O-N 2.04Å; C214-D218 WeakPolarHBondContact O-CB 3.27Å; C214-D218 VanDerWaalsContact O-CG 3.28Å; C214-D218 PolarHBondContact O-N 3.14Å
215N74.2Confident73.1Confident77 Ų7774.9 Ų74.941%0.41237%0.367SS..Hα-helixtrans-65.5-38.6175.6-65.6-30.9000112.1D212 W213 E219D212-N215 CarbonylContact O-C 3.59Å; D212-N215 WeakPolarHBondContact O-CA 3.39Å; D212-N215 WeakPolarHBondContact O-CB 3.1Å; D212-N215 PolarHBondContact O-N 3.1Å; D212-N215 PolarHBondContact OD1-ND2 3.35Å; W213-N215 VanDerWaalsContact C-N 3.33Å; W213-N215 PolarHBondContact O-N 3.33Å; N215-E219 VanDerWaalsContact O-CB 3.32Å; N215-E219 WeakPolarHBondContact O-CB 3.33Å; N215-E219 PolarHBondContact O-N 3.27Å
216V80.2Confident74.1Confident0 Ų075.2 Ų75.20%036%0.362CS..Hα-helixtrans-62.8-48.1174.71740000109.2D212 W213 E219 A220 C279 W283 L302D212-V216 WeakPolarHBondContact O-CB 3.28Å; D212-V216 WeakPolarHBondContact O-CG2 3.45Å; D212-V216 PolarHBondContact O-N 3.44Å; W213-V216 HydrophobicContact CE3-CB 4.37Å; W213-V216 HydrophobicContact CE3-CG1 4.31Å; W213-V216 HydrophobicContact CZ3-CG1 4.22Å; W213-V216 WeakPolarHBondContact O-CB 3.46Å; W213-V216 PolarHBondContact O-N 3.39Å; V216-E219 PolarHBondContact O-N 3.46Å; V216-A220 WeakPolarHBondContact O-CB 3.44Å; V216-A220 PolarHBondContact O-N 3.05Å; V216-C279 HydrophobicContact CG1-CB 4.18Å; V216-W283 HydrophobicContact CB-CG 4.39Å; V216-W283 HydrophobicContact CG1-CB 4.13Å; V216-W283 HydrophobicContact CG1-CG 4.4Å; V216-W283 HydrophobicContact CG2-CB 4.13Å; V216-W283 HydrophobicContact CG2-CD2 3.77Å; V216-W283 HydrophobicContact CG2-CG 3.59Å; V216-L302 HydrophobicContact CG2-CD1 3.78Å
217S80.5Confident75.5Confident26 Ų2671.6 Ų71.618%0.18235%0.352CS..Hα-helixtrans-66.2-41.4-179.9-169.30000112.4W213 C214 A220 N221 R226W213-S217 WeakPolarHBondContact O-CB 3.45Å; W213-S217 PolarHBondContact O-N 3.46Å; C214-S217 PolarHBondContact O-N 2.04Å; S217-A220 PolarHBondContact O-N 2.96Å; S217-N221 WeakPolarHBondContact O-CB 3.27Å; S217-N221 PolarHBondContact O-N 3.08Å; S217-N221 PolarHBondContact O-ND2 3.15Å; S217-R226 PolarHBondContact OG-NH2 2.8Å; S217-R226 VanDerWaalsContact OG-NH2 3.1Å
218D81Confident76.9Confident104 Ų10468.2 Ų68.256%0.55634%0.344SS*.Hα-helixtrans-64.6-46.1176.1-78-13000111.5C214 A220 N221 K222C214-D218 WeakPolarHBondContact O-CB 3.27Å; C214-D218 VanDerWaalsContact O-CG 3.28Å; C214-D218 PolarHBondContact O-N 3.14Å; D218-A220 VanDerWaalsContact C-N 3.34Å; D218-N221 PolarHBondContact O-N 3.2Å; D218-K222 WeakPolarHBondContact O-CB 3.48Å; D218-K222 PolarHBondContact O-N 3.01Å
219E83.1Confident78.3Confident39 Ų3965.3 Ų65.318%0.18232%0.32CS..Hα-helixtrans-70.4-32.7176.9-159.584.7157.200111.2N215 V216 N221 K222 C223 W225 M286 R290N215-E219 VanDerWaalsContact O-CB 3.32Å; N215-E219 WeakPolarHBondContact O-CB 3.33Å; N215-E219 PolarHBondContact O-N 3.27Å; V216-E219 PolarHBondContact O-N 3.46Å; E219-N221 VanDerWaalsContact C-N 3.34Å; E219-N221 PolarHBondContact O-N 3.35Å; E219-K222 PolarHBondContact O-N 3.2Å; E219-K222 IonicContact OE2-NZ 2.72Å; E219-C223 VanDerWaalsContact O-CB 3.31Å; E219-C223 WeakPolarHBondContact O-CB 3.19Å; E219-C223 PolarHBondContact O-N 3.37Å; E219-W225 HydrophobicContact CB-CH2 4.06Å; E219-W225 HydrophobicContact CB-CZ3 4.47Å; E219-W225 HydrophobicContact CG-CH2 3.92Å; E219-W225 HydrophobicContact CG-CZ2 4.16Å; E219-M286 HydrophobicContact CG-CE 3.79Å; E219-M286 HydrophobicContact CG-SD 4.31Å; E219-R290 IonicContact OE1-NH2 2.7Å; E219-R290 PolarHBondContact OE1-NH2 2.93Å
220A86.2Confident80Confident0 Ų064.9 Ų64.90%032%0.315CS..Hα-helixtrans-62.7-4017300000112.2V216 S217 D218 R224 W225 C279V216-A220 WeakPolarHBondContact O-CB 3.44Å; V216-A220 PolarHBondContact O-N 3.05Å; S217-A220 PolarHBondContact O-N 2.96Å; D218-A220 VanDerWaalsContact C-N 3.34Å; A220-R224 CarbonylContact O-C 3.52Å; A220-R224 WeakPolarHBondContact O-CA 3.43Å; A220-R224 PolarHBondContact O-N 3.02Å; A220-W225 HydrophobicContact CB-CB 4.25Å; A220-W225 HydrophobicContact CB-CD2 4.12Å; A220-W225 HydrophobicContact CB-CE3 3.43Å; A220-W225 VanDerWaalsContact CB-CE3 3.43Å; A220-W225 HydrophobicContact CB-CG 4.5Å; A220-W225 HydrophobicContact CB-CZ3 4.04Å; A220-W225 PolarHBondContact O-N 2.85Å; A220-C279 HydrophobicContact CB-CB 4.13Å
221N85.7Confident81.9Confident91 Ų9170.2 Ų70.249%0.48733%0.331SS..Hα-helixtrans-66-46.3172.4-78-33.5000111.2S217 D218 E219 R224 R226S217-N221 WeakPolarHBondContact O-CB 3.27Å; S217-N221 PolarHBondContact O-N 3.08Å; S217-N221 PolarHBondContact O-ND2 3.15Å; D218-N221 PolarHBondContact O-N 3.2Å; E219-N221 VanDerWaalsContact C-N 3.34Å; E219-N221 PolarHBondContact O-N 3.35Å; N221-R224 PolarHBondContact O-N 3.22Å; N221-R226 PolarHBondContact ND2-NH1 3.29Å; N221-R226 PolarHBondContact OD1-NH1 3.35Å
222K86.1Confident83.5Confident156 Ų15666.7 Ų66.768%0.67832%0.317SS*.Hα-helixtrans-64.8-41.4-179.3-173.2-179174.7-170.80113.2D218 E219D218-K222 WeakPolarHBondContact O-CB 3.48Å; D218-K222 PolarHBondContact O-N 3.01Å; E219-K222 PolarHBondContact O-N 3.2Å; E219-K222 IonicContact OE2-NZ 2.72Å
223C87.9Confident84.6Confident57 Ų5773.5 Ų73.539%0.38534%0.344SS..THydrogen-bonded Turntrans-93.73.5179.9-68.20000113.5E219 W225E219-C223 VanDerWaalsContact O-CB 3.31Å; E219-C223 WeakPolarHBondContact O-CB 3.19Å; E219-C223 PolarHBondContact O-N 3.37Å; C223-W225 VanDerWaalsContact C-N 3.31Å; C223-W225 HydrophobicContact CB-CD2 4.37Å; C223-W225 HydrophobicContact CB-CG 4.35Å; C223-W225 HydrophobicContact CB-CZ2 4.12Å; C223-W225 PolarHBondContact O-N 3.26Å
224R88.5Confident85.2Confident150 Ų15073.5 Ų73.557%0.56635%0.348SS*.THydrogen-bonded Turntrans53.144.1177.4-56.4178.8179.9-161.93.1113.2A220 N221 R226 E227 S228A220-R224 CarbonylContact O-C 3.52Å; A220-R224 WeakPolarHBondContact O-CA 3.43Å; A220-R224 PolarHBondContact O-N 3.02Å; N221-R224 PolarHBondContact O-N 3.22Å; R224-R226 VanDerWaalsContact C-N 3.33Å; R224-E227 HydrophobicContact CB-CB 4.3Å; R224-E227 HydrophobicContact CB-CG 4.27Å; R224-E227 WeakPolarHBondContact CD-OE1 3.45Å; R224-E227 WeakPolarHBondContact CD-OE2 3.37Å; R224-E227 IonicContact NE-OE1 3.82Å; R224-E227 IonicContact NH1-OE2 3.66Å; R224-E227 PolarHBondContact O-N 2.83Å; R224-S228 PolarHBondContact O-N 3.42Å; R224-S228 PolarHBondContact O-OG 3.14Å
225W89.9Confident85.7Confident22 Ų2280.1 Ų80.18%0.08336%0.362CS..Hα-helixtrans-66.8-36.7178.9-63.1-21.2000111.9E219 A220 C223 E227 S228 F229 F278 C279 N282 W283 M286E219-W225 HydrophobicContact CB-CH2 4.06Å; E219-W225 HydrophobicContact CB-CZ3 4.47Å; E219-W225 HydrophobicContact CG-CH2 3.92Å; E219-W225 HydrophobicContact CG-CZ2 4.16Å; A220-W225 HydrophobicContact CB-CB 4.25Å; A220-W225 HydrophobicContact CB-CD2 4.12Å; A220-W225 HydrophobicContact CB-CE3 3.43Å; A220-W225 VanDerWaalsContact CB-CE3 3.43Å; A220-W225 HydrophobicContact CB-CG 4.5Å; A220-W225 HydrophobicContact CB-CZ3 4.04Å; A220-W225 PolarHBondContact O-N 2.85Å; C223-W225 VanDerWaalsContact C-N 3.31Å; C223-W225 HydrophobicContact CB-CD2 4.37Å; C223-W225 HydrophobicContact CB-CG 4.35Å; C223-W225 HydrophobicContact CB-CZ2 4.12Å; C223-W225 PolarHBondContact O-N 3.26Å; W225-E227 PolarHBondContact O-N 2.91Å; W225-S228 CarbonylContact O-C 3.34Å; W225-S228 WeakPolarHBondContact O-CA 3.33Å; W225-S228 VanDerWaalsContact O-CB 3.32Å; W225-S228 WeakPolarHBondContact O-CB 3.44Å; W225-S228 PolarHBondContact O-N 3Å; W225-F229 PolarHBondContact O-N 3.48Å; W225-F278 WeakPolarHBondContact O-CE1 3.09Å; W225-C279 HydrophobicContact CE3-CB 4.36Å; W225-C279 WeakPolarHBondContact CZ3-O 3.41Å; W225-N282 HydrophobicContact CD2-CB 3.52Å; W225-N282 HydrophobicContact CE3-CB 3.77Å; W225-N282 HydrophobicContact CG-CB 3.91Å; W225-N282 HydrophobicContact CH2-CB 4.44Å; W225-N282 HydrophobicContact CZ2-CB 4.18Å; W225-N282 HydrophobicContact CZ3-CB 4.24Å; W225-W283 HydrophobicContact CH2-CB 3.99Å; W225-W283 HydrophobicContact CZ3-CB 3.85Å; W225-M286 HydrophobicContact CH2-CE 4.25Å; W225-M286 HydrophobicContact CZ2-CE 4.45Å; W225-M286 HydrophobicContact CZ2-SD 4.2Å
226R89.5Confident86Confident63 Ų6385.6 Ų85.624%0.23839%0.385CS..Hα-helixtrans-57.4-46.4174.3-62.7-177165.61125.2111.9S217 N221 R224 S228 F229 Y230 E275S217-R226 PolarHBondContact OG-NH2 2.8Å; S217-R226 VanDerWaalsContact OG-NH2 3.1Å; N221-R226 PolarHBondContact ND2-NH1 3.29Å; N221-R226 PolarHBondContact OD1-NH1 3.35Å; R224-R226 VanDerWaalsContact C-N 3.33Å; R226-S228 PolarHBondContact O-N 3.41Å; R226-F229 WeakPolarHBondContact O-CB 3.43Å; R226-F229 PolarHBondContact O-N 2.95Å; R226-Y230 WeakPolarHBondContact O-CD2 3.22Å; R226-Y230 PolarHBondContact O-N 2.86Å; R226-E275 WeakPolarHBondContact CD-OE1 3.44Å; R226-E275 HydrophobicContact CG-CG 4.41Å; R226-E275 WeakPolarHBondContact CG-OE1 3.5Å; R226-E275 IonicContact NE-OE1 3.28Å; R226-E275 PolarHBondContact NE-OE1 3.03Å
227E88.8Confident86.1Confident91 Ų9187.4 Ų87.443%0.42540%0.403SS..Hα-helixtrans-62.9-31.4174.2-64176.5-159.800112.9R224 W225 R231R224-E227 HydrophobicContact CB-CB 4.3Å; R224-E227 HydrophobicContact CB-CG 4.27Å; R224-E227 WeakPolarHBondContact CD-OE1 3.45Å; R224-E227 WeakPolarHBondContact CD-OE2 3.37Å; R224-E227 IonicContact NE-OE1 3.82Å; R224-E227 IonicContact NH1-OE2 3.66Å; R224-E227 PolarHBondContact O-N 2.83Å; W225-E227 PolarHBondContact O-N 2.91Å; E227-R231 WeakPolarHBondContact O-CB 3.48Å; E227-R231 WeakPolarHBondContact O-CG 3.48Å; E227-R231 PolarHBondContact O-N 3.37Å; E227-R231 VanDerWaalsContact O-N 3.09Å; E227-R231 PolarHBondContact O-NE 3.12Å
228S88Confident86.4Confident28 Ų2889.2 Ų89.220%0.19641%0.41CS..Hα-helixtrans-72-36.1177.4-550000111.2R224 W225 R226 R231 L232R224-S228 PolarHBondContact O-N 3.42Å; R224-S228 PolarHBondContact O-OG 3.14Å; W225-S228 CarbonylContact O-C 3.34Å; W225-S228 WeakPolarHBondContact O-CA 3.33Å; W225-S228 VanDerWaalsContact O-CB 3.32Å; W225-S228 WeakPolarHBondContact O-CB 3.44Å; W225-S228 PolarHBondContact O-N 3Å; R226-S228 PolarHBondContact O-N 3.41Å; S228-R231 PolarHBondContact O-N 3.13Å; S228-R231 PolarHBondContact OG-NH2 2.88Å; S228-L232 WeakPolarHBondContact O-CG 3.39Å; S228-L232 PolarHBondContact O-N 3.4Å
229F90.2Very high86.7Confident1 Ų184.4 Ų84.40%0.00439%0.385CS..Hα-helixtrans-59.2-52.5172.2-177.5-110.3000111.4W225 R226 R231 L232 P234 G237 L239 I273 E275 F278W225-F229 PolarHBondContact O-N 3.48Å; R226-F229 WeakPolarHBondContact O-CB 3.43Å; R226-F229 PolarHBondContact O-N 2.95Å; F229-R231 VanDerWaalsContact C-N 3.28Å; F229-R231 PolarHBondContact O-N 2.83Å; F229-L232 WeakPolarHBondContact O-CB 3.44Å; F229-L232 PolarHBondContact O-N 3.06Å; F229-P234 HydrophobicContact CD1-CG 4.15Å; F229-P234 HydrophobicContact CE1-CB 4.1Å; F229-P234 HydrophobicContact CE1-CG 3.75Å; F229-P234 HydrophobicContact CZ-CB 3.93Å; F229-P234 HydrophobicContact CZ-CG 4.09Å; F229-P234 WeakPolarHBondContact O-CD 3.39Å; F229-G237 WeakPolarHBondContact CZ-O 3.37Å; F229-L239 HydrophobicContact CE2-CB 3.82Å; F229-L239 HydrophobicContact CZ-CB 4.45Å; F229-I273 HydrophobicContact CE2-CG2 4.43Å; F229-E275 HydrophobicContact CD1-CB 4.01Å; F229-E275 HydrophobicContact CD1-CG 4.03Å; F229-E275 HydrophobicContact CE1-CB 3.87Å; F229-E275 HydrophobicContact CE1-CG 4.4Å; F229-E275 HydrophobicContact CZ-CB 4.44Å; F229-F278 HydrophobicContact CB-CD1 3.61Å; F229-F278 HydrophobicContact CB-CE1 3.89Å; F229-F278 HydrophobicContact CB-CG 4.1Å; F229-F278 HydrophobicContact CD2-CB 3.54Å; F229-F278 AromaticContact CD2-CD1 3.91Å; F229-F278 HydrophobicContact CD2-CD1 3.91Å; F229-F278 AromaticContact CD2-CD2 3.81Å; F229-F278 HydrophobicContact CD2-CD2 3.81Å; F229-F278 HydrophobicContact CD2-CE2 4.48Å; F229-F278 AromaticContact CD2-CG 3.47Å; F229-F278 HydrophobicContact CD2-CG 3.47Å; F229-F278 VanDerWaalsContact CD2-CG 3.47Å; F229-F278 HydrophobicContact CE2-CB 3.98Å; F229-F278 HydrophobicContact CE2-CD2 4.49Å; F229-F278 HydrophobicContact CE2-CG 4.3Å; F229-F278 HydrophobicContact CG-CB 4.29Å; F229-F278 HydrophobicContact CG-CD1 4.19Å; F229-F278 HydrophobicContact CG-CG 4.19Å
230Y89.4Confident87Confident134 Ų13487.2 Ų87.253%0.52540%0.398SS..Hα-helixtrans-65-29.3178.5-70.7-71.8000113.3R226 L232 K233 E275R226-Y230 WeakPolarHBondContact O-CD2 3.22Å; R226-Y230 PolarHBondContact O-N 2.86Å; Y230-L232 VanDerWaalsContact C-N 3.26Å; Y230-L232 PolarHBondContact O-N 3.48Å; Y230-K233 PolarHBondContact O-N 2.77Å; Y230-K233 VanDerWaalsContact O-N 3.09Å; Y230-E275 WeakPolarHBondContact CE2-OE2 3.37Å; Y230-E275 PolarHBondContact OH-OE2 2.8Å
231R89Confident86.9Confident169 Ų16987.8 Ų87.864%0.63840%0.402SS*.Hα-helixtrans-64.2-28.2172.7-87.9-175.9-82.9-179-6.8113.6E227 S228 F229 K233E227-R231 WeakPolarHBondContact O-CB 3.48Å; E227-R231 WeakPolarHBondContact O-CG 3.48Å; E227-R231 PolarHBondContact O-N 3.37Å; E227-R231 VanDerWaalsContact O-N 3.09Å; E227-R231 PolarHBondContact O-NE 3.12Å; S228-R231 PolarHBondContact O-N 3.13Å; S228-R231 PolarHBondContact OG-NH2 2.88Å; F229-R231 VanDerWaalsContact C-N 3.28Å; F229-R231 PolarHBondContact O-N 2.83Å; R231-K233 PolarHBondContact O-N 3.19Å
232L87.1Confident86.9Confident54 Ų5486.3 Ų86.328%0.28340%0.398SS..THydrogen-bonded Turntrans-76.30.3175.1-64.7169.9000113S228 F229 Y230 L239 F247 F278S228-L232 WeakPolarHBondContact O-CG 3.39Å; S228-L232 PolarHBondContact O-N 3.4Å; F229-L232 WeakPolarHBondContact O-CB 3.44Å; F229-L232 PolarHBondContact O-N 3.06Å; Y230-L232 VanDerWaalsContact C-N 3.26Å; Y230-L232 PolarHBondContact O-N 3.48Å; L232-L239 HydrophobicContact CB-CD1 4.03Å; L232-L239 HydrophobicContact CB-CD2 4.4Å; L232-L239 HydrophobicContact CD1-CD2 3.82Å; L232-F247 HydrophobicContact CD1-CB 4.42Å; L232-F247 HydrophobicContact CD1-CD2 4.2Å; L232-F247 HydrophobicContact CD1-CG 4.2Å; L232-F247 HydrophobicContact CD2-CD2 4.33Å; L232-F278 HydrophobicContact CD1-CE2 3.69Å; L232-F278 HydrophobicContact CD1-CZ 3.78Å
233K84.9Confident86.9Confident180 Ų18083.8 Ų83.878%0.78339%0.389SS*.  trans52.964178-62.5-177.1178.6179.70112.8Y230 R231Y230-K233 PolarHBondContact O-N 2.77Å; Y230-K233 VanDerWaalsContact O-N 3.09Å; R231-K233 PolarHBondContact O-N 3.19Å
234P86.7Confident86.8Confident26 Ų2681.1 Ų81.117%0.16937%0.371CS..  trans-61.4145.7176.527.7-34.4000110.9F229 L238 L239F229-P234 HydrophobicContact CD1-CG 4.15Å; F229-P234 HydrophobicContact CE1-CB 4.1Å; F229-P234 HydrophobicContact CE1-CG 3.75Å; F229-P234 HydrophobicContact CZ-CB 3.93Å; F229-P234 HydrophobicContact CZ-CG 4.09Å; F229-P234 WeakPolarHBondContact O-CD 3.39Å; P234-L238 WeakPolarHBondContact CA-O 3.32Å; P234-L238 WeakPolarHBondContact CB-O 3.31Å; P234-L239 HydrophobicContact CB-CB 4.48Å
235R82.3Confident86.7Confident215 Ų21577.6 Ų77.681%0.81136%0.359SS*.BIsolated β-bridgetrans-91.4121.8173.9-74.5-173.8176.9-179-0.4108G237 L238R235-G237 PolarHBondContact O-N 3.06Å; R235-L238 PolarHBondContact N-O 3.41Å; R235-L238 PolarHBondContact O-N 3.48Å; R235-L238 VanDerWaalsContact O-N 3.1Å; R235-L238 VanDerWaalsContact O-O 3.09Å
236H81.9Confident86.5Confident192 Ų19281.8 Ų81.889%0.88938%0.38SS*.THydrogen-bonded Turntrans56.431.9-177.8-55-72.8000114.7L238H236-L238 PolarHBondContact O-N 3.48Å
237G81.3Confident86.4Confident38 Ų3881.6 Ų81.639%0.39238%0.381SS..THydrogen-bonded Turntrans78.45.3-178.700000114.6F229 R235F229-G237 WeakPolarHBondContact CZ-O 3.37Å; R235-G237 PolarHBondContact O-N 3.06Å
238L86.2Confident86.4Confident63 Ų6377.6 Ų77.633%0.3336%0.362SS..BIsolated β-bridgetrans-118.5137.6178.4-64.1166.1000110.4P234 R235 H236 L272 I273 N274P234-L238 WeakPolarHBondContact CA-O 3.32Å; P234-L238 WeakPolarHBondContact CB-O 3.31Å; R235-L238 PolarHBondContact N-O 3.41Å; R235-L238 PolarHBondContact O-N 3.48Å; R235-L238 VanDerWaalsContact O-N 3.1Å; R235-L238 VanDerWaalsContact O-O 3.09Å; H236-L238 PolarHBondContact O-N 3.48Å; L238-L272 HydrophobicContact CB-CB 4.41Å; L238-L272 HydrophobicContact CD1-CD1 4.12Å; L238-I273 WeakPolarHBondContact CA-O 3.4Å; L238-N274 HydrophobicContact CD2-CB 3.96Å
239L88.1Confident86.4Confident4 Ų485.7 Ų85.72%0.02139%0.389CS..EExtended strand (participates in β ladder)trans-106.6123.7178.5-173.469.5000110.3F229 L232 P234 H243 A244 L272 I273 F278F229-L239 HydrophobicContact CE2-CB 3.82Å; F229-L239 HydrophobicContact CZ-CB 4.45Å; L232-L239 HydrophobicContact CB-CD1 4.03Å; L232-L239 HydrophobicContact CB-CD2 4.4Å; L232-L239 HydrophobicContact CD1-CD2 3.82Å; P234-L239 HydrophobicContact CB-CB 4.48Å; L239-H243 HydrophobicContact CD1-CB 3.86Å; L239-H243 HydrophobicContact CG-CB 4.28Å; L239-A244 HydrophobicContact CD2-CB 3.93Å; L239-A244 HydrophobicContact CG-CB 4.46Å; L239-L272 CarbonylContact O-C 3.54Å; L239-L272 WeakPolarHBondContact O-CA 3.45Å; L239-I273 HydrophobicContact CB-CB 4.49Å; L239-I273 PolarHBondContact N-O 2.81Å; L239-I273 PolarHBondContact O-N 3.42Å; L239-F278 HydrophobicContact CD2-CD2 4.37Å; L239-F278 HydrophobicContact CD2-CE2 4.36Å
240H88.3Confident86.2Confident98 Ų9894.5 Ų94.545%0.45442%0.423SS..EExtended strand (participates in β ladder)trans-68.3142.5179.2-174.3-98.1000112.4S242 H243 A244 L272H240-S242 WeakPolarHBondContact ND1-CB 3.45Å; H240-S242 PolarHBondContact ND1-N 3.27Å; H240-S242 PolarHBondContact ND1-OG 3.29Å; H240-S242 PolarHBondContact O-N 3.03Å; H240-H243 PolarHBondContact O-N 3.42Å; H240-A244 PolarHBondContact O-N 3.12Å; H240-L272 HydrophobicContact CB-CD2 4.39Å
241S84.4Confident85.9Confident11 Ų1189 Ų898%0.07741%0.405CS..Hα-helixtrans-51.7-32.6-176.9690000115.1H243 A244 K245 W262 D271S241-H243 PolarHBondContact O-N 3.4Å; S241-A244 PolarHBondContact O-N 3.44Å; S241-K245 WeakPolarHBondContact O-CB 3.31Å; S241-K245 WeakPolarHBondContact O-CG 3.18Å; S241-K245 PolarHBondContact O-N 2.65Å; S241-W262 VanDerWaalsContact CA-CH2 3.43Å; S241-W262 VanDerWaalsContact CB-CH2 3.44Å; S241-D271 VanDerWaalsContact CB-O 3.26Å; S241-D271 WeakPolarHBondContact CB-O 3.39Å; S241-D271 PolarHBondContact N-O 3Å
242S86.1Confident85.7Confident60 Ų6084.3 Ų84.342%0.4241%0.409SS..Hα-helixtrans-60.2-44176.664.60000112.8H240 E246H240-S242 WeakPolarHBondContact ND1-CB 3.45Å; H240-S242 PolarHBondContact ND1-N 3.27Å; H240-S242 PolarHBondContact ND1-OG 3.29Å; H240-S242 PolarHBondContact O-N 3.03Å; S242-E246 PolarHBondContact O-N 3.03Å; S242-E246 VanDerWaalsContact O-N 3.09Å
243H86.4Confident85.7Confident104 Ų10483.3 Ų83.348%0.48140%0.404SS..Hα-helixtrans-74.5-39.2-178-6683.1000110.5L239 H240 S241 E246 F247L239-H243 HydrophobicContact CD1-CB 3.86Å; L239-H243 HydrophobicContact CG-CB 4.28Å; H240-H243 PolarHBondContact O-N 3.42Å; S241-H243 PolarHBondContact O-N 3.4Å; H243-E246 PolarHBondContact O-N 2.99Å; H243-F247 PolarHBondContact O-N 2.93Å
244A86.1Confident85.9Confident0 Ų077.5 Ų77.50%039%0.387CS..Hα-helixtrans-66.4-40.6175.500000112.1L239 H240 S241 E246 F247 M248 W262 I273L239-A244 HydrophobicContact CD2-CB 3.93Å; L239-A244 HydrophobicContact CG-CB 4.46Å; H240-A244 PolarHBondContact O-N 3.12Å; S241-A244 PolarHBondContact O-N 3.44Å; A244-E246 VanDerWaalsContact C-N 3.33Å; A244-E246 PolarHBondContact O-N 3.36Å; A244-F247 WeakPolarHBondContact O-CB 3.4Å; A244-F247 PolarHBondContact O-N 3.31Å; A244-M248 WeakPolarHBondContact O-CG 3.35Å; A244-M248 PolarHBondContact O-N 3.49Å; A244-W262 HydrophobicContact CB-CH2 4Å; A244-W262 HydrophobicContact CB-CZ3 3.56Å; A244-I273 HydrophobicContact CB-CD1 4.09Å
245K85.8Confident85.9Confident76 Ų7681.3 Ų81.333%0.3341%0.409SS..Hα-helixtrans-64.6-36.1174.7-74.7168.2-177.1163.50112.6S241 M248 R249S241-K245 WeakPolarHBondContact O-CB 3.31Å; S241-K245 WeakPolarHBondContact O-CG 3.18Å; S241-K245 PolarHBondContact O-N 2.65Å; K245-M248 HydrophobicContact CB-CE 4.14Å; K245-M248 HydrophobicContact CG-CE 3.56Å; K245-M248 PolarHBondContact O-N 3.14Å; K245-R249 WeakPolarHBondContact O-CG 3.38Å; K245-R249 PolarHBondContact O-N 2.98Å
246E85.9Confident86.2Confident110 Ų11077 Ų7751%0.51440%0.401SS..Hα-helixtrans-65.4-44.2172.6-168.2169.8-167.100111.5S242 H243 A244 M248 R249 Y250S242-E246 PolarHBondContact O-N 3.03Å; S242-E246 VanDerWaalsContact O-N 3.09Å; H243-E246 PolarHBondContact O-N 2.99Å; A244-E246 VanDerWaalsContact C-N 3.33Å; A244-E246 PolarHBondContact O-N 3.36Å; E246-M248 PolarHBondContact O-N 3.49Å; E246-R249 PolarHBondContact O-N 3.26Å; E246-Y250 HydrophobicContact CG-CE2 4.36Å; E246-Y250 WeakPolarHBondContact O-CD2 3.34Å; E246-Y250 WeakPolarHBondContact O-CE2 3.4Å
247F88Confident86.5Confident60 Ų6070.6 Ų70.626%0.26337%0.372SS..Hα-helixtrans-59.1-45.1173.5177.8-103.1000112.6L232 H243 A244 R249 Y250 F278 M285L232-F247 HydrophobicContact CD1-CB 4.42Å; L232-F247 HydrophobicContact CD1-CD2 4.2Å; L232-F247 HydrophobicContact CD1-CG 4.2Å; L232-F247 HydrophobicContact CD2-CD2 4.33Å; H243-F247 PolarHBondContact O-N 2.93Å; A244-F247 WeakPolarHBondContact O-CB 3.4Å; A244-F247 PolarHBondContact O-N 3.31Å; F247-R249 VanDerWaalsContact C-N 3.29Å; F247-R249 PolarHBondContact O-N 3.31Å; F247-Y250 PolarHBondContact O-N 3.5Å; F247-F278 HydrophobicContact CD1-CE2 4.05Å; F247-F278 HydrophobicContact CD1-CZ 4.2Å; F247-F278 HydrophobicContact CE1-CE2 4.02Å; F247-F278 AromaticContact CE1-CZ 3.76Å; F247-F278 HydrophobicContact CE1-CZ 3.76Å; F247-F278 HydrophobicContact CZ-CZ 4.04Å; F247-M285 HydrophobicContact CE1-CE 4.04Å
248M88.9Confident86.9Confident6 Ų669.3 Ų69.33%0.0336%0.357CS..Hα-helixtrans-61.8-32.3179.9-77.3-169.9-69.900113.7A244 K245 E246 Y250 A251 L258 W262 L281 M285A244-M248 WeakPolarHBondContact O-CG 3.35Å; A244-M248 PolarHBondContact O-N 3.49Å; K245-M248 HydrophobicContact CB-CE 4.14Å; K245-M248 HydrophobicContact CG-CE 3.56Å; K245-M248 PolarHBondContact O-N 3.14Å; E246-M248 PolarHBondContact O-N 3.49Å; M248-Y250 PolarHBondContact O-N 3.01Å; M248-A251 WeakPolarHBondContact O-CB 3.22Å; M248-A251 PolarHBondContact O-N 3.25Å; M248-L258 HydrophobicContact CB-CD1 4.3Å; M248-L258 HydrophobicContact CB-CD2 4Å; M248-L258 HydrophobicContact CG-CD2 4.42Å; M248-L258 HydrophobicContact SD-CD2 4.35Å; M248-W262 HydrophobicContact CE-CD2 4.26Å; M248-W262 HydrophobicContact CE-CE3 3.31Å; M248-W262 HydrophobicContact CE-CZ3 3.83Å; M248-W262 HydrophobicContact SD-CE3 4.25Å; M248-L281 HydrophobicContact CG-CD1 4.41Å; M248-L281 HydrophobicContact CG-CD2 4.17Å; M248-L281 HydrophobicContact SD-CD1 3.63Å; M248-L281 HydrophobicContact SD-CD2 4.3Å; M248-L281 HydrophobicContact SD-CG 4.41Å; M248-M285 HydrophobicContact CG-SD 3.99Å
249R87.2Confident87Confident199 Ų19971 Ų7175%0.75137%0.366SS*.Hα-helixtrans-61.7-30.3179-76.3174.2-179.6177.21.7112.6K245 E246 F247 A251K245-R249 WeakPolarHBondContact O-CG 3.38Å; K245-R249 PolarHBondContact O-N 2.98Å; E246-R249 PolarHBondContact O-N 3.26Å; F247-R249 VanDerWaalsContact C-N 3.29Å; F247-R249 PolarHBondContact O-N 3.31Å; R249-A251 PolarHBondContact O-N 3.34Å
250Y85.7Confident87.1Confident186 Ų18673.3 Ų73.373%0.72938%0.378SS*.THydrogen-bonded Turntrans-71.4-11.3176.1-64.2-74.9000113.4E246 F247 M248 G252E246-Y250 HydrophobicContact CG-CE2 4.36Å; E246-Y250 WeakPolarHBondContact O-CD2 3.34Å; E246-Y250 WeakPolarHBondContact O-CE2 3.4Å; F247-Y250 PolarHBondContact O-N 3.5Å; M248-Y250 PolarHBondContact O-N 3.01Å; Y250-G252 VanDerWaalsContact C-N 3.28Å; Y250-G252 PolarHBondContact O-N 3.39Å
251A82.9Confident87.2Confident17 Ų1768.7 Ų68.714%0.1436%0.357CS..THydrogen-bonded Turntrans-71.2-20-179.500000113.3M248 R249 L253 M285 K289M248-A251 WeakPolarHBondContact O-CB 3.22Å; M248-A251 PolarHBondContact O-N 3.25Å; R249-A251 PolarHBondContact O-N 3.34Å; A251-L253 VanDerWaalsContact C-N 3.33Å; A251-M285 HydrophobicContact CB-SD 3.85Å; A251-K289 WeakPolarHBondContact O-CE 3.42Å; A251-K289 PolarHBondContact O-NZ 3.47Å
252G84.9Confident87.5Confident71 Ų7169.1 Ų69.173%0.73236%0.357SS*.  trans74.519.6-178.700000114.5Y250Y250-G252 VanDerWaalsContact C-N 3.28Å; Y250-G252 PolarHBondContact O-N 3.39Å
253L87.9Confident87.6Confident33 Ų3373.2 Ų73.217%0.17336%0.363CS..  trans-90.6158.6172.2-67171.6000110.4A251 I257 L258 I261 M285 K289A251-L253 VanDerWaalsContact C-N 3.33Å; L253-I257 HydrophobicContact CB-CG2 4.27Å; L253-I257 HydrophobicContact CD1-CG2 4.27Å; L253-I257 HydrophobicContact CD2-CG2 4.49Å; L253-L258 HydrophobicContact CB-CD2 3.96Å; L253-L258 HydrophobicContact CB-CG 4.04Å; L253-L258 HydrophobicContact CD1-CD2 4.12Å; L253-I261 HydrophobicContact CD1-CD1 4.22Å; L253-M285 HydrophobicContact CD1-CB 4.1Å; L253-M285 HydrophobicContact CD1-CG 4.11Å; L253-K289 HydrophobicContact CD2-CG 3.98Å; L253-K289 HydrophobicContact CG-CG 4.39Å
254S88.9Confident87.7Confident59 Ų5968.9 Ų68.941%0.41334%0.343SS..  trans-66.5150.2176.576.80000111I256 I257 L258S254-I256 PolarHBondContact O-N 3.44Å; S254-I257 PolarHBondContact O-N 3.48Å; S254-I257 WeakPolarHBondContact OG-CD1 3.38Å; S254-I257 VanDerWaalsContact OG-CG1 3.27Å; S254-I257 WeakPolarHBondContact OG-CG1 3.29Å; S254-I257 PolarHBondContact OG-N 3.47Å; S254-L258 WeakPolarHBondContact O-CG 3.46Å; S254-L258 PolarHBondContact O-N 2.99Å
255V86.5Confident87.8Confident106 Ų10668.9 Ų68.964%0.64234%0.343SS*.Hα-helixtrans-60-31.1180-179.50000111.8L258 N259V255-L258 PolarHBondContact O-N 3.37Å; V255-N259 WeakPolarHBondContact O-CB 3.26Å; V255-N259 VanDerWaalsContact O-CG 3.23Å; V255-N259 PolarHBondContact O-N 3.42Å; V255-N259 PolarHBondContact O-ND2 3.15Å
256I88.1Confident87.8Confident124 Ų12465.9 Ų65.964%0.63633%0.331SS*.Hα-helixtrans-64.2-52.6177.5-58.1172.4000110S254 L258 N259 D260S254-I256 PolarHBondContact O-N 3.44Å; I256-L258 VanDerWaalsContact C-N 3.3Å; I256-L258 PolarHBondContact O-N 2.95Å; I256-N259 PolarHBondContact O-N 3.13Å; I256-N259 VanDerWaalsContact O-N 3.14Å; I256-D260 PolarHBondContact O-N 3.01Å
257I88.8Confident87.4Confident57 Ų5763.7 Ų63.729%0.29233%0.328SS..Hα-helixtrans-59.6-42.1178.3-70.2174.1000110.5L253 S254 N259 D260 I261 I294L253-I257 HydrophobicContact CB-CG2 4.27Å; L253-I257 HydrophobicContact CD1-CG2 4.27Å; L253-I257 HydrophobicContact CD2-CG2 4.49Å; S254-I257 PolarHBondContact O-N 3.48Å; S254-I257 WeakPolarHBondContact OG-CD1 3.38Å; S254-I257 VanDerWaalsContact OG-CG1 3.27Å; S254-I257 WeakPolarHBondContact OG-CG1 3.29Å; S254-I257 PolarHBondContact OG-N 3.47Å; I257-N259 PolarHBondContact O-N 3.37Å; I257-D260 PolarHBondContact O-N 2.84Å; I257-I261 HydrophobicContact CG2-CD1 4.03Å; I257-I261 VanDerWaalsContact O-CG1 3.26Å; I257-I261 WeakPolarHBondContact O-CG1 3.41Å; I257-I261 PolarHBondContact O-N 3.09Å; I257-I294 HydrophobicContact CB-CD1 4.2Å; I257-I294 HydrophobicContact CG2-CD1 3.43Å; I257-I294 VanDerWaalsContact CG2-CD1 3.43Å
258L90.6Very high87Confident12 Ų1265 Ų656%0.06334%0.337CS..Hα-helixtrans-64.6-38.1177.8-69.4176.3000112.7M248 L253 S254 V255 I256 I261 W262 M285M248-L258 HydrophobicContact CB-CD1 4.3Å; M248-L258 HydrophobicContact CB-CD2 4Å; M248-L258 HydrophobicContact CG-CD2 4.42Å; M248-L258 HydrophobicContact SD-CD2 4.35Å; L253-L258 HydrophobicContact CB-CD2 3.96Å; L253-L258 HydrophobicContact CB-CG 4.04Å; L253-L258 HydrophobicContact CD1-CD2 4.12Å; S254-L258 WeakPolarHBondContact O-CG 3.46Å; S254-L258 PolarHBondContact O-N 2.99Å; V255-L258 PolarHBondContact O-N 3.37Å; I256-L258 VanDerWaalsContact C-N 3.3Å; I256-L258 PolarHBondContact O-N 2.95Å; L258-I261 PolarHBondContact O-N 3.33Å; L258-W262 PolarHBondContact O-N 2.88Å; L258-M285 HydrophobicContact CD2-SD 4.35Å
259N88.4Confident86.6Confident97 Ų9773.2 Ų73.252%0.51937%0.373SS..Hα-helixtrans-67.6-38.7175.2-73.7-17.1000111.7V255 I256 I257 W262 R263V255-N259 WeakPolarHBondContact O-CB 3.26Å; V255-N259 VanDerWaalsContact O-CG 3.23Å; V255-N259 PolarHBondContact O-N 3.42Å; V255-N259 PolarHBondContact O-ND2 3.15Å; I256-N259 PolarHBondContact O-N 3.13Å; I256-N259 VanDerWaalsContact O-N 3.14Å; I257-N259 PolarHBondContact O-N 3.37Å; N259-W262 PolarHBondContact O-N 3.07Å; N259-R263 WeakPolarHBondContact O-CB 3.45Å; N259-R263 PolarHBondContact O-N 2.88Å
260D89.3Confident86.5Confident54 Ų5466.9 Ų66.929%0.28935%0.354SS..Hα-helixtrans-65.6-41.5175.6-68.3-31.6000111.5I256 I257 R263 L264 I294I256-D260 PolarHBondContact O-N 3.01Å; I257-D260 PolarHBondContact O-N 2.84Å; D260-R263 PolarHBondContact O-N 2.85Å; D260-L264 WeakPolarHBondContact O-CG 3.44Å; D260-L264 PolarHBondContact O-N 3.23Å; D260-I294 HydrophobicContact CB-CD1 4.44Å
261I90.5Very high86.4Confident0 Ų061.9 Ų61.90%034%0.34CS..Hα-helixtrans-62-47.1174.1-67.9170.5000110.6L253 I257 L258 R263 L264 V265 L281 L284 M285 I294L253-I261 HydrophobicContact CD1-CD1 4.22Å; I257-I261 HydrophobicContact CG2-CD1 4.03Å; I257-I261 VanDerWaalsContact O-CG1 3.26Å; I257-I261 WeakPolarHBondContact O-CG1 3.41Å; I257-I261 PolarHBondContact O-N 3.09Å; L258-I261 PolarHBondContact O-N 3.33Å; I261-R263 VanDerWaalsContact C-N 3.3Å; I261-R263 PolarHBondContact O-N 3Å; I261-L264 PolarHBondContact O-N 3.08Å; I261-L264 VanDerWaalsContact O-N 3.11Å; I261-V265 HydrophobicContact CG2-CG2 4.36Å; I261-V265 WeakPolarHBondContact O-CG2 3.42Å; I261-V265 PolarHBondContact O-N 2.9Å; I261-V265 VanDerWaalsContact O-N 3.15Å; I261-L281 HydrophobicContact CG2-CD1 3.59Å; I261-L284 HydrophobicContact CD1-CB 4.45Å; I261-L284 HydrophobicContact CG1-CB 4.25Å; I261-L284 HydrophobicContact CG2-CB 3.9Å; I261-L284 HydrophobicContact CG2-CD1 4.09Å; I261-M285 HydrophobicContact CD1-CG 3.96Å; I261-I294 HydrophobicContact CD1-CD1 4Å; I261-I294 HydrophobicContact CG1-CD1 3.54Å; I261-I294 HydrophobicContact CG1-CG1 4.24Å
262W90.1Very high86.6Confident20 Ų2063.5 Ų63.58%0.07635%0.346CS..Hα-helixtrans-55.6-47.8178.3-176-87.7000111.3S241 A244 M248 L258 N259 L264 V265 D266 I273S241-W262 VanDerWaalsContact CA-CH2 3.43Å; S241-W262 VanDerWaalsContact CB-CH2 3.44Å; A244-W262 HydrophobicContact CB-CH2 4Å; A244-W262 HydrophobicContact CB-CZ3 3.56Å; M248-W262 HydrophobicContact CE-CD2 4.26Å; M248-W262 HydrophobicContact CE-CE3 3.31Å; M248-W262 HydrophobicContact CE-CZ3 3.83Å; M248-W262 HydrophobicContact SD-CE3 4.25Å; L258-W262 PolarHBondContact O-N 2.88Å; N259-W262 PolarHBondContact O-N 3.07Å; W262-L264 PolarHBondContact O-N 3.45Å; W262-V265 PolarHBondContact O-N 2.89Å; W262-V265 VanDerWaalsContact O-N 3.15Å; W262-D266 PolarHBondContact NE1-OD2 3.19Å; W262-D266 WeakPolarHBondContact O-CB 3.2Å; W262-D266 PolarHBondContact O-N 3.38Å; W262-I273 HydrophobicContact CE3-CD1 3.96Å; W262-I273 HydrophobicContact CH2-CD1 3.39Å; W262-I273 HydrophobicContact CH2-CG1 3.66Å; W262-I273 HydrophobicContact CZ2-CD1 4.39Å; W262-I273 HydrophobicContact CZ2-CG1 4.42Å; W262-I273 HydrophobicContact CZ3-CD1 3.16Å; W262-I273 HydrophobicContact CZ3-CG1 3.99Å
263R88.4Confident86.8Confident147 Ų14760.1 Ų60.156%0.55531%0.311SS*.Hα-helixtrans-59.1-28.5179.5-169.2-176.373.1-172.51.3113.5N259 D260 I261N259-R263 WeakPolarHBondContact O-CB 3.45Å; N259-R263 PolarHBondContact O-N 2.88Å; D260-R263 PolarHBondContact O-N 2.85Å; I261-R263 VanDerWaalsContact C-N 3.3Å; I261-R263 PolarHBondContact O-N 3Å
264L88.4Confident86.8Confident12 Ų1260.2 Ų60.26%0.06331%0.312CS..Hα-helixtrans-84.4-29.4179.2-69.8172.1000113.4D260 I261 W262 L284 I294 P295 L298D260-L264 WeakPolarHBondContact O-CG 3.44Å; D260-L264 PolarHBondContact O-N 3.23Å; I261-L264 PolarHBondContact O-N 3.08Å; I261-L264 VanDerWaalsContact O-N 3.11Å; W262-L264 PolarHBondContact O-N 3.45Å; L264-L284 HydrophobicContact CB-CD1 4.31Å; L264-I294 HydrophobicContact CD1-CG2 3.27Å; L264-P295 HydrophobicContact CD1-CG 4.34Å; L264-P295 WeakPolarHBondContact CD1-O 3.47Å; L264-L298 HydrophobicContact CB-CD1 4.45Å; L264-L298 HydrophobicContact CD2-CB 4.4Å
265V88.5Confident86.8Confident0 Ų059.8 Ų59.80%030%0.303CS..Hα-helixtrans-81.6-47.7-179173.80000110.6I261 W262 S267 I273 E277 L280 L281 L284I261-V265 HydrophobicContact CG2-CG2 4.36Å; I261-V265 WeakPolarHBondContact O-CG2 3.42Å; I261-V265 PolarHBondContact O-N 2.9Å; I261-V265 VanDerWaalsContact O-N 3.15Å; W262-V265 PolarHBondContact O-N 2.89Å; W262-V265 VanDerWaalsContact O-N 3.15Å; V265-S267 VanDerWaalsContact C-N 3.26Å; V265-S267 PolarHBondContact O-N 3.33Å; V265-I273 HydrophobicContact CG1-CD1 4.28Å; V265-E277 HydrophobicContact CG1-CB 3.57Å; V265-E277 HydrophobicContact CG1-CG 3.98Å; V265-E277 WeakPolarHBondContact CG1-O 3.42Å; V265-L280 HydrophobicContact CG2-CD2 4.16Å; V265-L280 HydrophobicContact CG2-CG 4.14Å; V265-L281 HydrophobicContact CG1-CB 4.46Å; V265-L281 HydrophobicContact CG2-CB 4.12Å; V265-L281 HydrophobicContact CG2-CD1 4.06Å; V265-L284 HydrophobicContact CG2-CD1 3.91Å
266D86.2Confident86.9Confident14 Ų1456.8 Ų56.88%0.07528%0.282CS..  trans-81.869.8-179.3-176.57000109.9W262 K269 D270W262-D266 PolarHBondContact NE1-OD2 3.19Å; W262-D266 WeakPolarHBondContact O-CB 3.2Å; W262-D266 PolarHBondContact O-N 3.38Å; D266-K269 WeakPolarHBondContact OD1-CA 3.47Å; D266-K269 PolarHBondContact OD1-N 2.9Å; D266-D270 PolarHBondContact OD1-N 3.28Å; D266-D270 VanDerWaalsContact OD1-N 3.08Å
267S76.7Confident86.9Confident64 Ų6451 Ų5145%0.44825%0.253SS..SBendtrans-76.2-27.7-173.679.70000113.1V265 Q307V265-S267 VanDerWaalsContact C-N 3.26Å; V265-S267 PolarHBondContact O-N 3.33Å; S267-Q307 PolarHBondContact OG-NE2 3.41Å; S267-Q307 PolarHBondContact OG-OE1 3.38Å
268D79.4Confident87Confident86 Ų8648.3 Ų48.346%0.4624%0.239SC..SBendtrans-88.3-9.3176.554.5-16.9000113.4D270D268-D270 VanDerWaalsContact C-N 3.28Å; D268-D270 PolarHBondContact O-N 2.98Å
269K81.4Confident87Confident180 Ų18047.8 Ų47.878%0.78324%0.236SC*.  trans6036.9174.2-56.2177.9-179173.90112.3D266D266-K269 WeakPolarHBondContact OD1-CA 3.47Å; D266-K269 PolarHBondContact OD1-N 2.9Å
270D83.9Confident87.1Confident65 Ų6543.2 Ų43.235%0.34821%0.212SC..  trans-92.5-1.4-176.679.7-13.3000113D266 D268 L272D266-D270 PolarHBondContact OD1-N 3.28Å; D266-D270 VanDerWaalsContact OD1-N 3.08Å; D268-D270 VanDerWaalsContact C-N 3.28Å; D268-D270 PolarHBondContact O-N 2.98Å; D270-L272 PolarHBondContact O-N 3.42Å; D270-L272 VanDerWaalsContact O-N 3.17Å; D270-L272 WeakPolarHBondContact OD1-CA 3.25Å; D270-L272 PolarHBondContact OD1-N 3.04Å; D270-L272 VanDerWaalsContact OD1-O 3.1Å
271D84.6Confident87.2Confident82 Ų8240.6 Ų40.644%0.43920%0.198SC..SBendtrans59.115.1-175.7-84.2-51000113.8S241S241-D271 VanDerWaalsContact CB-O 3.26Å; S241-D271 WeakPolarHBondContact CB-O 3.39Å; S241-D271 PolarHBondContact N-O 3Å
272L88Confident87.3Confident51 Ų5141.5 Ų41.527%0.26720%0.203SC..EExtended strand (participates in β ladder)trans-117.7162.4177.3-57.9171.1000109.2L238 L239 H240 D270L238-L272 HydrophobicContact CB-CB 4.41Å; L238-L272 HydrophobicContact CD1-CD1 4.12Å; L239-L272 CarbonylContact O-C 3.54Å; L239-L272 WeakPolarHBondContact O-CA 3.45Å; H240-L272 HydrophobicContact CB-CD2 4.39Å; D270-L272 PolarHBondContact O-N 3.42Å; D270-L272 VanDerWaalsContact O-N 3.17Å; D270-L272 WeakPolarHBondContact OD1-CA 3.25Å; D270-L272 PolarHBondContact OD1-N 3.04Å; D270-L272 VanDerWaalsContact OD1-O 3.1Å
273I88.5Confident87.2Confident0 Ų041.8 Ų41.80%020%0.204CC..EExtended strand (participates in β ladder)trans-133.4125177.2-76-171.8000109F229 L238 L239 A244 W262 V265 E277 F278 L281F229-I273 HydrophobicContact CE2-CG2 4.43Å; L238-I273 WeakPolarHBondContact CA-O 3.4Å; L239-I273 HydrophobicContact CB-CB 4.49Å; L239-I273 PolarHBondContact N-O 2.81Å; L239-I273 PolarHBondContact O-N 3.42Å; A244-I273 HydrophobicContact CB-CD1 4.09Å; W262-I273 HydrophobicContact CE3-CD1 3.96Å; W262-I273 HydrophobicContact CH2-CD1 3.39Å; W262-I273 HydrophobicContact CH2-CG1 3.66Å; W262-I273 HydrophobicContact CZ2-CD1 4.39Å; W262-I273 HydrophobicContact CZ2-CG1 4.42Å; W262-I273 HydrophobicContact CZ3-CD1 3.16Å; W262-I273 HydrophobicContact CZ3-CG1 3.99Å; V265-I273 HydrophobicContact CG1-CD1 4.28Å; I273-E277 WeakPolarHBondContact CA-OE2 3.5Å; I273-E277 HydrophobicContact CG2-CB 3.9Å; I273-F278 HydrophobicContact CG2-CB 3.81Å; I273-F278 HydrophobicContact CG2-CD2 4.41Å; I273-L281 HydrophobicContact CD1-CD2 4.24Å
274N88.3Confident87.3Confident34 Ų3435 Ų3518%0.18218%0.178CC..  trans-82.9175.4170.866.538.8000112.1L238 E276 E277 F278L238-N274 HydrophobicContact CD2-CB 3.96Å; N274-E276 VanDerWaalsContact C-N 3.3Å; N274-E276 PolarHBondContact O-N 3.47Å; N274-E276 PolarHBondContact OD1-N 3.36Å; N274-E276 VanDerWaalsContact OD1-N 3.13Å; N274-E277 PolarHBondContact N-OE2 2.96Å; N274-E277 PolarHBondContact ND2-OE1 3.47Å; N274-E277 PolarHBondContact ND2-OE2 2.85Å; N274-E277 VanDerWaalsContact OD1-CB 3.23Å; N274-E277 WeakPolarHBondContact OD1-CB 3.44Å; N274-E277 VanDerWaalsContact OD1-CG 3.27Å; N274-E277 WeakPolarHBondContact OD1-CG 3.44Å; N274-E277 PolarHBondContact OD1-N 3.41Å; N274-E277 PolarHBondContact OD1-OE2 3.09Å; N274-F278 WeakPolarHBondContact O-CB 3.36Å; N274-F278 PolarHBondContact O-N 3.27Å
275E88.7Confident87.4Confident51 Ų5135 Ų3524%0.23818%0.178CC..Hα-helixtrans-61.5-38-177.9-173.9-177145.700112.5R226 F229 Y230 F278 C279R226-E275 WeakPolarHBondContact CD-OE1 3.44Å; R226-E275 HydrophobicContact CG-CG 4.41Å; R226-E275 WeakPolarHBondContact CG-OE1 3.5Å; R226-E275 IonicContact NE-OE1 3.28Å; R226-E275 PolarHBondContact NE-OE1 3.03Å; F229-E275 HydrophobicContact CD1-CB 4.01Å; F229-E275 HydrophobicContact CD1-CG 4.03Å; F229-E275 HydrophobicContact CE1-CB 3.87Å; F229-E275 HydrophobicContact CE1-CG 4.4Å; F229-E275 HydrophobicContact CZ-CB 4.44Å; Y230-E275 WeakPolarHBondContact CE2-OE2 3.37Å; Y230-E275 PolarHBondContact OH-OE2 2.8Å; E275-F278 PolarHBondContact O-N 3.03Å; E275-C279 PolarHBondContact O-N 3.04Å; E275-C279 VanDerWaalsContact O-N 3.15Å; E275-C279 PolarHBondContact O-SG 3.47Å
276E87.1Confident87.4Confident43 Ų4336.5 Ų36.520%0.20119%0.185CC..Hα-helixtrans-71.4-48.1-177.6-61.6-155.2135.600111.1W213 N274 F278 C279 L280 P304 P305W213-E276 HydrophobicContact CH2-CB 3.67Å; W213-E276 WeakPolarHBondContact CH2-O 3.39Å; W213-E276 HydrophobicContact CZ2-CB 3.66Å; W213-E276 HydrophobicContact CZ2-CG 4.03Å; N274-E276 VanDerWaalsContact C-N 3.3Å; N274-E276 PolarHBondContact O-N 3.47Å; N274-E276 PolarHBondContact OD1-N 3.36Å; N274-E276 VanDerWaalsContact OD1-N 3.13Å; E276-F278 PolarHBondContact O-N 3.42Å; E276-C279 WeakPolarHBondContact O-CA 3.49Å; E276-C279 VanDerWaalsContact O-CB 3.29Å; E276-C279 WeakPolarHBondContact O-CB 3.33Å; E276-C279 PolarHBondContact O-N 3.38Å; E276-L280 PolarHBondContact O-N 3.27Å; E276-P304 HydrophobicContact CB-CB 3.84Å; E276-P304 HydrophobicContact CB-CG 4.24Å; E276-P304 VanDerWaalsContact OE2-CB 3.26Å; E276-P304 WeakPolarHBondContact OE2-CB 3.43Å; E276-P305 VanDerWaalsContact OE2-CD 3.32Å; E276-P305 WeakPolarHBondContact OE2-CD 3.45Å
277E89.5Confident87.5Confident2 Ų236.6 Ų36.61%0.00919%0.186CC..Hα-helixtrans-56.8-36.8171.9-78.5160-17100112V265 I273 N274 C279 L280 L281 P304 Q307V265-E277 HydrophobicContact CG1-CB 3.57Å; V265-E277 HydrophobicContact CG1-CG 3.98Å; V265-E277 WeakPolarHBondContact CG1-O 3.42Å; I273-E277 WeakPolarHBondContact CA-OE2 3.5Å; I273-E277 HydrophobicContact CG2-CB 3.9Å; N274-E277 PolarHBondContact N-OE2 2.96Å; N274-E277 PolarHBondContact ND2-OE1 3.47Å; N274-E277 PolarHBondContact ND2-OE2 2.85Å; N274-E277 VanDerWaalsContact OD1-CB 3.23Å; N274-E277 WeakPolarHBondContact OD1-CB 3.44Å; N274-E277 VanDerWaalsContact OD1-CG 3.27Å; N274-E277 WeakPolarHBondContact OD1-CG 3.44Å; N274-E277 PolarHBondContact OD1-N 3.41Å; N274-E277 PolarHBondContact OD1-OE2 3.09Å; E277-C279 VanDerWaalsContact C-N 3.33Å; E277-C279 PolarHBondContact O-N 3.44Å; E277-L280 WeakPolarHBondContact O-CB 3.47Å; E277-L280 PolarHBondContact O-N 2.83Å; E277-L281 VanDerWaalsContact O-CB 3.25Å; E277-L281 WeakPolarHBondContact O-CB 3.4Å; E277-L281 PolarHBondContact O-N 3.4Å; E277-P304 HydrophobicContact CG-CG 4.38Å; E277-Q307 PolarHBondContact OE1-NE2 3.46Å
278F91.1Very high88Confident0 Ų034.5 Ų34.50%017%0.171CC..Hα-helixtrans-65.8-35.6173.3-171.2-98000112.5W225 F229 L232 L239 F247 I273 N274 E275 E276 L281 N282W225-F278 WeakPolarHBondContact O-CE1 3.09Å; F229-F278 HydrophobicContact CB-CD1 3.61Å; F229-F278 HydrophobicContact CB-CE1 3.89Å; F229-F278 HydrophobicContact CB-CG 4.1Å; F229-F278 HydrophobicContact CD2-CB 3.54Å; F229-F278 AromaticContact CD2-CD1 3.91Å; F229-F278 HydrophobicContact CD2-CD1 3.91Å; F229-F278 AromaticContact CD2-CD2 3.81Å; F229-F278 HydrophobicContact CD2-CD2 3.81Å; F229-F278 HydrophobicContact CD2-CE2 4.48Å; F229-F278 AromaticContact CD2-CG 3.47Å; F229-F278 HydrophobicContact CD2-CG 3.47Å; F229-F278 VanDerWaalsContact CD2-CG 3.47Å; F229-F278 HydrophobicContact CE2-CB 3.98Å; F229-F278 HydrophobicContact CE2-CD2 4.49Å; F229-F278 HydrophobicContact CE2-CG 4.3Å; F229-F278 HydrophobicContact CG-CB 4.29Å; F229-F278 HydrophobicContact CG-CD1 4.19Å; F229-F278 HydrophobicContact CG-CG 4.19Å; L232-F278 HydrophobicContact CD1-CE2 3.69Å; L232-F278 HydrophobicContact CD1-CZ 3.78Å; L239-F278 HydrophobicContact CD2-CD2 4.37Å; L239-F278 HydrophobicContact CD2-CE2 4.36Å; F247-F278 HydrophobicContact CD1-CE2 4.05Å; F247-F278 HydrophobicContact CD1-CZ 4.2Å; F247-F278 HydrophobicContact CE1-CE2 4.02Å; F247-F278 AromaticContact CE1-CZ 3.76Å; F247-F278 HydrophobicContact CE1-CZ 3.76Å; F247-F278 HydrophobicContact CZ-CZ 4.04Å; I273-F278 HydrophobicContact CG2-CB 3.81Å; I273-F278 HydrophobicContact CG2-CD2 4.41Å; N274-F278 WeakPolarHBondContact O-CB 3.36Å; N274-F278 PolarHBondContact O-N 3.27Å; E275-F278 PolarHBondContact O-N 3.03Å; E276-F278 PolarHBondContact O-N 3.42Å; F278-L281 HydrophobicContact CD2-CD2 4.25Å; F278-L281 HydrophobicContact CE2-CD2 4.48Å; F278-N282 WeakPolarHBondContact CD1-ND2 3.32Å; F278-N282 WeakPolarHBondContact CE1-ND2 3.41Å; F278-N282 WeakPolarHBondContact CZ-ND2 3.4Å; F278-N282 PolarHBondContact O-N 2.88Å; F278-N282 VanDerWaalsContact O-N 3.12Å; F278-N282 PolarHBondContact O-ND2 3.13Å
279C90.5Very high88.5Confident1 Ų136.6 Ų36.61%0.00718%0.176CC..Hα-helixtrans-67.3-42.9173.2-65.10000111.1V216 A220 W225 E275 E276 E277 N282 W283V216-C279 HydrophobicContact CG1-CB 4.18Å; A220-C279 HydrophobicContact CB-CB 4.13Å; W225-C279 HydrophobicContact CE3-CB 4.36Å; W225-C279 WeakPolarHBondContact CZ3-O 3.41Å; E275-C279 PolarHBondContact O-N 3.04Å; E275-C279 VanDerWaalsContact O-N 3.15Å; E275-C279 PolarHBondContact O-SG 3.47Å; E276-C279 WeakPolarHBondContact O-CA 3.49Å; E276-C279 VanDerWaalsContact O-CB 3.29Å; E276-C279 WeakPolarHBondContact O-CB 3.33Å; E276-C279 PolarHBondContact O-N 3.38Å; E277-C279 VanDerWaalsContact C-N 3.33Å; E277-C279 PolarHBondContact O-N 3.44Å; C279-N282 PolarHBondContact O-N 3.36Å; C279-W283 WeakPolarHBondContact O-CB 3.45Å; C279-W283 PolarHBondContact O-N 2.93Å
280L89.7Confident88.7Confident1 Ų135 Ų351%0.00517%0.165CC..Hα-helixtrans-60.7-44.8174.7-179.162.5000111.8W213 V265 E276 E277 N282 W283 L284 L298 L302W213-L280 HydrophobicContact CZ3-CB 4.13Å; V265-L280 HydrophobicContact CG2-CD2 4.16Å; V265-L280 HydrophobicContact CG2-CG 4.14Å; E276-L280 PolarHBondContact O-N 3.27Å; E277-L280 WeakPolarHBondContact O-CB 3.47Å; E277-L280 PolarHBondContact O-N 2.83Å; L280-N282 PolarHBondContact O-N 3.46Å; L280-W283 WeakPolarHBondContact O-CB 3.25Å; L280-W283 PolarHBondContact O-N 3.47Å; L280-L284 HydrophobicContact CD1-CD1 4.37Å; L280-L284 HydrophobicContact CD1-CG 4.35Å; L280-L284 HydrophobicContact CG-CD1 4.18Å; L280-L284 WeakPolarHBondContact O-CG 3.44Å; L280-L284 PolarHBondContact O-N 3.02Å; L280-L298 HydrophobicContact CD1-CD1 4.37Å; L280-L298 HydrophobicContact CD1-CD2 4.47Å; L280-L298 HydrophobicContact CD2-CD1 4.44Å; L280-L298 HydrophobicContact CD2-CD2 3.55Å; L280-L302 HydrophobicContact CD1-CD1 4.34Å; L280-L302 HydrophobicContact CD1-CD2 4.16Å; L280-L302 HydrophobicContact CD1-CG 3.81Å
281L91.8Very high88.5Confident0 Ų035.3 Ų35.30%018%0.183CC..Hα-helixtrans-55.1-51.2176.4-178.476.1000111.3M248 I261 V265 I273 E277 F278 W283 L284 M285M248-L281 HydrophobicContact CG-CD1 4.41Å; M248-L281 HydrophobicContact CG-CD2 4.17Å; M248-L281 HydrophobicContact SD-CD1 3.63Å; M248-L281 HydrophobicContact SD-CD2 4.3Å; M248-L281 HydrophobicContact SD-CG 4.41Å; I261-L281 HydrophobicContact CG2-CD1 3.59Å; V265-L281 HydrophobicContact CG1-CB 4.46Å; V265-L281 HydrophobicContact CG2-CB 4.12Å; V265-L281 HydrophobicContact CG2-CD1 4.06Å; I273-L281 HydrophobicContact CD1-CD2 4.24Å; E277-L281 VanDerWaalsContact O-CB 3.25Å; E277-L281 WeakPolarHBondContact O-CB 3.4Å; E277-L281 PolarHBondContact O-N 3.4Å; F278-L281 HydrophobicContact CD2-CD2 4.25Å; F278-L281 HydrophobicContact CE2-CD2 4.48Å; L281-W283 VanDerWaalsContact C-N 3.33Å; L281-W283 PolarHBondContact O-N 2.95Å; L281-L284 PolarHBondContact O-N 3.39Å; L281-M285 HydrophobicContact CD2-CE 4.46Å; L281-M285 HydrophobicContact CG-CE 4.16Å; L281-M285 WeakPolarHBondContact O-CG 3.35Å; L281-M285 PolarHBondContact O-N 3.46Å
282N91.4Very high88.1Confident19 Ų1937.5 Ų37.510%0.10219%0.189CC..Hα-helixtrans-64.4-38.5178.7-81-77.9000112.3W225 F278 C279 L280 M285 M286W225-N282 HydrophobicContact CD2-CB 3.52Å; W225-N282 HydrophobicContact CE3-CB 3.77Å; W225-N282 HydrophobicContact CG-CB 3.91Å; W225-N282 HydrophobicContact CH2-CB 4.44Å; W225-N282 HydrophobicContact CZ2-CB 4.18Å; W225-N282 HydrophobicContact CZ3-CB 4.24Å; F278-N282 WeakPolarHBondContact CD1-ND2 3.32Å; F278-N282 WeakPolarHBondContact CE1-ND2 3.41Å; F278-N282 WeakPolarHBondContact CZ-ND2 3.4Å; F278-N282 PolarHBondContact O-N 2.88Å; F278-N282 VanDerWaalsContact O-N 3.12Å; F278-N282 PolarHBondContact O-ND2 3.13Å; C279-N282 PolarHBondContact O-N 3.36Å; L280-N282 PolarHBondContact O-N 3.46Å; N282-M285 HydrophobicContact CB-CE 4.44Å; N282-M285 PolarHBondContact O-N 3.02Å; N282-M285 WeakPolarHBondContact OD1-CE 3.26Å; N282-M286 WeakPolarHBondContact O-CB 3.46Å; N282-M286 PolarHBondContact O-N 3.34Å
283W89.7Confident87.7Confident25 Ų2538.7 Ų38.710%0.09521%0.213CC..Hα-helixtrans-62.4-47.8176.2-173.593.7000111.9D212 V216 W225 C279 L280 L281 M285 M286 Q287 L302D212-W283 HydrophobicContact CB-CZ2 4.37Å; V216-W283 HydrophobicContact CB-CG 4.39Å; V216-W283 HydrophobicContact CG1-CB 4.13Å; V216-W283 HydrophobicContact CG1-CG 4.4Å; V216-W283 HydrophobicContact CG2-CB 4.13Å; V216-W283 HydrophobicContact CG2-CD2 3.77Å; V216-W283 HydrophobicContact CG2-CG 3.59Å; W225-W283 HydrophobicContact CH2-CB 3.99Å; W225-W283 HydrophobicContact CZ3-CB 3.85Å; C279-W283 WeakPolarHBondContact O-CB 3.45Å; C279-W283 PolarHBondContact O-N 2.93Å; L280-W283 WeakPolarHBondContact O-CB 3.25Å; L280-W283 PolarHBondContact O-N 3.47Å; L281-W283 VanDerWaalsContact C-N 3.33Å; L281-W283 PolarHBondContact O-N 2.95Å; W283-M285 PolarHBondContact O-N 3.44Å; W283-M286 WeakPolarHBondContact O-CB 3.32Å; W283-M286 PolarHBondContact O-N 3.32Å; W283-M286 VanDerWaalsContact O-N 3.13Å; W283-Q287 HydrophobicContact CD2-CG 3.92Å; W283-Q287 HydrophobicContact CE3-CG 3.88Å; W283-Q287 HydrophobicContact CH2-CG 3.96Å; W283-Q287 HydrophobicContact CZ2-CG 3.99Å; W283-Q287 HydrophobicContact CZ3-CG 3.89Å; W283-Q287 WeakPolarHBondContact O-CG 3.38Å; W283-Q287 PolarHBondContact O-N 3.48Å; W283-L302 HydrophobicContact CD2-CD1 4.41Å; W283-L302 HydrophobicContact CE3-CD1 4.05Å; W283-L302 HydrophobicContact CE3-CD2 4.18Å; W283-L302 HydrophobicContact CH2-CD1 3.59Å; W283-L302 HydrophobicContact CH2-CD2 3.91Å; W283-L302 HydrophobicContact CH2-CG 4.46Å; W283-L302 HydrophobicContact CZ2-CD1 3.98Å; W283-L302 HydrophobicContact CZ3-CD1 3.65Å; W283-L302 HydrophobicContact CZ3-CD2 3.44Å; W283-L302 VanDerWaalsContact CZ3-CD2 3.44Å; W283-L302 HydrophobicContact CZ3-CG 4.18Å
284L90.3Very high87.3Confident5 Ų540.8 Ų40.83%0.02622%0.224CC..Hα-helixtrans-63.2-41178.4-72.7173.4000112.3I261 L264 V265 L280 L281 M286 Q287 S288 L298 L302I261-L284 HydrophobicContact CD1-CB 4.45Å; I261-L284 HydrophobicContact CG1-CB 4.25Å; I261-L284 HydrophobicContact CG2-CB 3.9Å; I261-L284 HydrophobicContact CG2-CD1 4.09Å; L264-L284 HydrophobicContact CB-CD1 4.31Å; V265-L284 HydrophobicContact CG2-CD1 3.91Å; L280-L284 HydrophobicContact CD1-CD1 4.37Å; L280-L284 HydrophobicContact CD1-CG 4.35Å; L280-L284 HydrophobicContact CG-CD1 4.18Å; L280-L284 WeakPolarHBondContact O-CG 3.44Å; L280-L284 PolarHBondContact O-N 3.02Å; L281-L284 PolarHBondContact O-N 3.39Å; L284-M286 VanDerWaalsContact C-N 3.31Å; L284-M286 PolarHBondContact O-N 2.91Å; L284-Q287 PolarHBondContact O-N 2.89Å; L284-S288 WeakPolarHBondContact O-CB 3.35Å; L284-S288 PolarHBondContact O-N 3.45Å; L284-S288 PolarHBondContact O-OG 2.86Å; L284-L298 HydrophobicContact CD1-CD1 4.37Å; L284-L302 HydrophobicContact CD2-CD2 4.49Å
285M90.7Very high86.9Confident11 Ų1141.6 Ų41.65%0.05423%0.231CC..Hα-helixtrans-60.8-42.1172.6-72.7-169.3-64.300111.5F247 M248 A251 L253 L258 I261 L281 N282 W283 S288 K289F247-M285 HydrophobicContact CE1-CE 4.04Å; M248-M285 HydrophobicContact CG-SD 3.99Å; A251-M285 HydrophobicContact CB-SD 3.85Å; L253-M285 HydrophobicContact CD1-CB 4.1Å; L253-M285 HydrophobicContact CD1-CG 4.11Å; L258-M285 HydrophobicContact CD2-SD 4.35Å; I261-M285 HydrophobicContact CD1-CG 3.96Å; L281-M285 HydrophobicContact CD2-CE 4.46Å; L281-M285 HydrophobicContact CG-CE 4.16Å; L281-M285 WeakPolarHBondContact O-CG 3.35Å; L281-M285 PolarHBondContact O-N 3.46Å; N282-M285 HydrophobicContact CB-CE 4.44Å; N282-M285 PolarHBondContact O-N 3.02Å; N282-M285 WeakPolarHBondContact OD1-CE 3.26Å; W283-M285 PolarHBondContact O-N 3.44Å; M285-S288 PolarHBondContact O-N 3.04Å; M285-K289 WeakPolarHBondContact O-CG 3.2Å; M285-K289 PolarHBondContact O-N 3.32Å
286M88.7Confident86.4Confident32 Ų3246.4 Ų46.416%0.15826%0.257CS..Hα-helixtrans-66.1-40.5177.9-170.3-177.766.500112.3E219 W225 N282 W283 L284 K289 R290E219-M286 HydrophobicContact CG-CE 3.79Å; E219-M286 HydrophobicContact CG-SD 4.31Å; W225-M286 HydrophobicContact CH2-CE 4.25Å; W225-M286 HydrophobicContact CZ2-CE 4.45Å; W225-M286 HydrophobicContact CZ2-SD 4.2Å; N282-M286 WeakPolarHBondContact O-CB 3.46Å; N282-M286 PolarHBondContact O-N 3.34Å; W283-M286 WeakPolarHBondContact O-CB 3.32Å; W283-M286 PolarHBondContact O-N 3.32Å; W283-M286 VanDerWaalsContact O-N 3.13Å; L284-M286 VanDerWaalsContact C-N 3.31Å; L284-M286 PolarHBondContact O-N 2.91Å; M286-K289 PolarHBondContact O-N 2.91Å; M286-R290 WeakPolarHBondContact O-CG 3.37Å; M286-R290 PolarHBondContact O-N 2.87Å; M286-R290 VanDerWaalsContact O-N 3.15Å; M286-R290 PolarHBondContact SD-NH2 3.33Å
287Q87.2Confident86Confident17 Ų1752.2 Ų52.28%0.07929%0.285CS..Hα-helixtrans-66-40.3175.9-62.9-58.1-28.700111.7W283 L284 K289 R290 G291 K292W283-Q287 HydrophobicContact CD2-CG 3.92Å; W283-Q287 HydrophobicContact CE3-CG 3.88Å; W283-Q287 HydrophobicContact CH2-CG 3.96Å; W283-Q287 HydrophobicContact CZ2-CG 3.99Å; W283-Q287 HydrophobicContact CZ3-CG 3.89Å; W283-Q287 WeakPolarHBondContact O-CG 3.38Å; W283-Q287 PolarHBondContact O-N 3.48Å; L284-Q287 PolarHBondContact O-N 2.89Å; Q287-K289 VanDerWaalsContact C-N 3.34Å; Q287-K289 PolarHBondContact O-N 3.42Å; Q287-R290 CarbonylContact O-C 3.56Å; Q287-R290 WeakPolarHBondContact O-CA 3.31Å; Q287-R290 WeakPolarHBondContact O-CB 3.1Å; Q287-R290 PolarHBondContact O-N 3.46Å; Q287-G291 PolarHBondContact O-N 2.98Å; Q287-K292 HydrophobicContact CB-CB 4.37Å; Q287-K292 PolarHBondContact O-N 3.43Å; Q287-K292 VanDerWaalsContact O-N 3.13Å; Q287-K292 VanDerWaalsContact OE1-CD 3.3Å
288S88.3Confident85.4Confident19 Ų1953.1 Ų53.113%0.13329%0.289CS..Hα-helixtrans-62.7-40.9176.7-58.10000111.5L284 M285 R290 G291 I294L284-S288 WeakPolarHBondContact O-CB 3.35Å; L284-S288 PolarHBondContact O-N 3.45Å; L284-S288 PolarHBondContact O-OG 2.86Å; M285-S288 PolarHBondContact O-N 3.04Å; S288-R290 VanDerWaalsContact C-N 3.27Å; S288-R290 PolarHBondContact O-N 3.45Å; S288-G291 PolarHBondContact O-N 3.36Å; S288-G291 VanDerWaalsContact O-N 3.09Å; S288-I294 WeakPolarHBondContact OG-CG1 3.32Å
289K88.3Confident84.6Confident131 Ų13155.5 Ų55.557%0.5731%0.305SS*.Hα-helixtrans-63.9-29172.5-75-176.5177.7-169.10113.8A251 L253 M285 M286 Q287 G291A251-K289 WeakPolarHBondContact O-CE 3.42Å; A251-K289 PolarHBondContact O-NZ 3.47Å; L253-K289 HydrophobicContact CD2-CG 3.98Å; L253-K289 HydrophobicContact CG-CG 4.39Å; M285-K289 WeakPolarHBondContact O-CG 3.2Å; M285-K289 PolarHBondContact O-N 3.32Å; M286-K289 PolarHBondContact O-N 2.91Å; Q287-K289 VanDerWaalsContact C-N 3.34Å; Q287-K289 PolarHBondContact O-N 3.42Å; K289-G291 PolarHBondContact O-N 3.29Å
290R85.4Confident83.6Confident146 Ų14662.4 Ų62.455%0.55134%0.337SS*.THydrogen-bonded Turntrans-80.84.2175.3-69.8174.3179.8172.32.6112.9E219 M286 Q287 S288E219-R290 IonicContact OE1-NH2 2.7Å; E219-R290 PolarHBondContact OE1-NH2 2.93Å; M286-R290 WeakPolarHBondContact O-CG 3.37Å; M286-R290 PolarHBondContact O-N 2.87Å; M286-R290 VanDerWaalsContact O-N 3.15Å; M286-R290 PolarHBondContact SD-NH2 3.33Å; Q287-R290 CarbonylContact O-C 3.56Å; Q287-R290 WeakPolarHBondContact O-CA 3.31Å; Q287-R290 WeakPolarHBondContact O-CB 3.1Å; Q287-R290 PolarHBondContact O-N 3.46Å; S288-R290 VanDerWaalsContact C-N 3.27Å; S288-R290 PolarHBondContact O-N 3.45Å
291G80.2Confident82.5Confident71 Ų7164.2 Ų64.273%0.73235%0.349SS*.THydrogen-bonded Turntrans80.21417800000114.5Q287 S288 K289Q287-G291 PolarHBondContact O-N 2.98Å; S288-G291 PolarHBondContact O-N 3.36Å; S288-G291 VanDerWaalsContact O-N 3.09Å; K289-G291 PolarHBondContact O-N 3.29Å
292K77.5Confident81.9Confident129 Ų12964.5 Ų64.556%0.56135%0.351SS*.PPolyproline II helixtrans-83.1133.4170.8-66.5-169.6-170.1164.10109.8Q287Q287-K292 HydrophobicContact CB-CB 4.37Å; Q287-K292 PolarHBondContact O-N 3.43Å; Q287-K292 VanDerWaalsContact O-N 3.13Å; Q287-K292 VanDerWaalsContact OE1-CD 3.3Å
293G77.8Confident81.1Confident75 Ų7566.7 Ų66.777%0.77336%0.359SS*.PPolyproline II helixtrans-63.2149.1173.100000111.9
294I81.2Confident80.5Confident45 Ų4565.5 Ų65.523%0.23136%0.355CS..PPolyproline II helixtrans-80.5133.1175.1-65.9163.5000108.5I257 D260 I261 L264 S288I257-I294 HydrophobicContact CB-CD1 4.2Å; I257-I294 HydrophobicContact CG2-CD1 3.43Å; I257-I294 VanDerWaalsContact CG2-CD1 3.43Å; D260-I294 HydrophobicContact CB-CD1 4.44Å; I261-I294 HydrophobicContact CD1-CD1 4Å; I261-I294 HydrophobicContact CG1-CD1 3.54Å; I261-I294 HydrophobicContact CG1-CG1 4.24Å; L264-I294 HydrophobicContact CD1-CG2 3.27Å; S288-I294 WeakPolarHBondContact OG-CG1 3.32Å
295P79Confident79.6Confident50 Ų5068.1 Ų68.133%0.32537%0.372SS..PPolyproline II helixtrans-69.7151.7177.230.7-35.6000111.6L264 E297L264-P295 HydrophobicContact CD1-CG 4.34Å; L264-P295 WeakPolarHBondContact CD1-O 3.47Å; P295-E297 VanDerWaalsContact C-N 3.31Å; P295-E297 WeakPolarHBondContact CB-O 3.46Å; P295-E297 PolarHBondContact O-N 3.38Å
296L78.4Confident78.4Confident152 Ų15273.8 Ų73.880%0.79640%0.402SS*.SBendtrans-67.3-34.5177.2-72.4167.8000112.3
297E78.8Confident77.1Confident165 Ų16574.3 Ų74.377%0.77140%0.404SS*.SBendtrans-133.6142.9176.5-67.4-176.9169.600109.5P295 P299P295-E297 VanDerWaalsContact C-N 3.31Å; P295-E297 WeakPolarHBondContact CB-O 3.46Å; P295-E297 PolarHBondContact O-N 3.38Å; E297-P299 WeakPolarHBondContact O-CD 3.46Å
298L78.2Confident75.8Confident21 Ų2177.7 Ų77.711%0.1142%0.42CS..  trans-72.5121.6-179.3-160.276.8000109.7L264 L280 L284 E300 L302 K303L264-L298 HydrophobicContact CB-CD1 4.45Å; L264-L298 HydrophobicContact CD2-CB 4.4Å; L280-L298 HydrophobicContact CD1-CD1 4.37Å; L280-L298 HydrophobicContact CD1-CD2 4.47Å; L280-L298 HydrophobicContact CD2-CD1 4.44Å; L280-L298 HydrophobicContact CD2-CD2 3.55Å; L284-L298 HydrophobicContact CD1-CD1 4.37Å; L298-E300 PolarHBondContact O-N 2.94Å; L298-L302 HydrophobicContact CD1-CD2 3.47Å; L298-L302 VanDerWaalsContact CD1-CD2 3.47Å; L298-L302 HydrophobicContact CD1-CG 4.17Å; L298-L302 HydrophobicContact CG-CB 4.33Å; L298-L302 HydrophobicContact CG-CD2 4.13Å; L298-L302 HydrophobicContact CG-CG 4.44Å; L298-K303 HydrophobicContact CD2-CG 3.84Å
299P72.5Confident73.7Confident51 Ų5186 Ų8633%0.33145%0.454SS..  trans-56.6137.3175.3-22.633000110.5L210 E297 P301 L302L210-P299 HydrophobicContact CD2-CB 4.17Å; E297-P299 WeakPolarHBondContact O-CD 3.46Å; P299-P301 VanDerWaalsContact C-N 3.27Å; P299-P301 VanDerWaalsContact O-N 3.1Å; P299-L302 WeakPolarHBondContact O-CB 3.43Å; P299-L302 PolarHBondContact O-N 2.94Å
300E69.4Low71.3Confident145 Ų14587.2 Ų87.268%0.67846%0.461SS*.G310 helixtrans-46.1-41.7179.1-69.9-170.4155.200115.1L298 L302 K303L298-E300 PolarHBondContact O-N 2.94Å; E300-L302 VanDerWaalsContact C-N 3.27Å; E300-L302 PolarHBondContact O-N 3.47Å; E300-K303 VanDerWaalsContact O-CB 3.3Å; E300-K303 WeakPolarHBondContact O-CB 3.5Å; E300-K303 PolarHBondContact O-N 2.97Å; E300-K303 VanDerWaalsContact O-N 3.16Å
301P68.2Low68.9Low39 Ų3986.2 Ų86.225%0.25347%0.474SS..G310 helixtrans-86.22.8-174.735.2-34.6000114.3L210 W213 P299L210-P301 HydrophobicContact CB-CB 4.39Å; L210-P301 HydrophobicContact CB-CG 3.57Å; L210-P301 HydrophobicContact CD2-CG 3.58Å; L210-P301 HydrophobicContact CG-CG 4.09Å; L210-P301 CarbonylContact O-C 3.59Å; L210-P301 WeakPolarHBondContact O-CB 3.43Å; L210-P301 WeakPolarHBondContact O-CG 3.24Å; W213-P301 PolarHBondContact N-O 3.42Å; P299-P301 VanDerWaalsContact C-N 3.27Å; P299-P301 VanDerWaalsContact O-N 3.1Å
302L78Confident66.6Low7 Ų788.1 Ų88.14%0.03747%0.474CS..G310 helixtrans-94.8-10.6165.7-168.670.1000111.6D212 V216 L280 W283 L284 L298 P299 E300D212-L302 HydrophobicContact CB-CD1 3.34Å; V216-L302 HydrophobicContact CG2-CD1 3.78Å; L280-L302 HydrophobicContact CD1-CD1 4.34Å; L280-L302 HydrophobicContact CD1-CD2 4.16Å; L280-L302 HydrophobicContact CD1-CG 3.81Å; W283-L302 HydrophobicContact CD2-CD1 4.41Å; W283-L302 HydrophobicContact CE3-CD1 4.05Å; W283-L302 HydrophobicContact CE3-CD2 4.18Å; W283-L302 HydrophobicContact CH2-CD1 3.59Å; W283-L302 HydrophobicContact CH2-CD2 3.91Å; W283-L302 HydrophobicContact CH2-CG 4.46Å; W283-L302 HydrophobicContact CZ2-CD1 3.98Å; W283-L302 HydrophobicContact CZ3-CD1 3.65Å; W283-L302 HydrophobicContact CZ3-CD2 3.44Å; W283-L302 VanDerWaalsContact CZ3-CD2 3.44Å; W283-L302 HydrophobicContact CZ3-CG 4.18Å; L284-L302 HydrophobicContact CD2-CD2 4.49Å; L298-L302 HydrophobicContact CD1-CD2 3.47Å; L298-L302 VanDerWaalsContact CD1-CD2 3.47Å; L298-L302 HydrophobicContact CD1-CG 4.17Å; L298-L302 HydrophobicContact CG-CB 4.33Å; L298-L302 HydrophobicContact CG-CD2 4.13Å; L298-L302 HydrophobicContact CG-CG 4.44Å; P299-L302 WeakPolarHBondContact O-CB 3.43Å; P299-L302 PolarHBondContact O-N 2.94Å; E300-L302 VanDerWaalsContact C-N 3.27Å; E300-L302 PolarHBondContact O-N 3.47Å
303K75.8Confident64.5Low64 Ų6489.2 Ų89.228%0.27849%0.486SS..SBendtrans-66147.4176-70.9178.6178.5-176.80110.3L298 E300 Q307 H308L298-K303 HydrophobicContact CD2-CG 3.84Å; E300-K303 VanDerWaalsContact O-CB 3.3Å; E300-K303 WeakPolarHBondContact O-CB 3.5Å; E300-K303 PolarHBondContact O-N 2.97Å; E300-K303 VanDerWaalsContact O-N 3.16Å; K303-Q307 HydrophobicContact CB-CB 4.24Å; K303-H308 PolarHBondContact O-NE2 3.29Å; K303-H308 VanDerWaalsContact O-NE2 3.08Å
304P77.4Confident62.4Low0 Ų094.5 Ų94.50%049%0.491CS..  trans-53142.7168.2-25.434.2000112W213 E276 E277 D306 Q307 H308W213-P304 HydrophobicContact CH2-CB 3.79Å; W213-P304 HydrophobicContact CH2-CG 3.76Å; W213-P304 HydrophobicContact CZ2-CB 4.22Å; W213-P304 HydrophobicContact CZ3-CB 4.07Å; W213-P304 HydrophobicContact CZ3-CG 3.8Å; E276-P304 HydrophobicContact CB-CB 3.84Å; E276-P304 HydrophobicContact CB-CG 4.24Å; E276-P304 VanDerWaalsContact OE2-CB 3.26Å; E276-P304 WeakPolarHBondContact OE2-CB 3.43Å; E277-P304 HydrophobicContact CG-CG 4.38Å; P304-D306 PolarHBondContact O-N 2.88Å; P304-D306 VanDerWaalsContact O-N 3.08Å; P304-Q307 HydrophobicContact CB-CG 4.46Å; P304-Q307 WeakPolarHBondContact O-CA 3.06Å; P304-Q307 WeakPolarHBondContact O-CB 3.44Å; P304-Q307 PolarHBondContact O-N 3.19Å; P304-H308 PolarHBondContact O-CD2 2.94Å; P304-H308 VanDerWaalsContact O-CD2 3.24Å; P304-H308 PolarHBondContact O-N 3.37Å
305P70.5Confident59.9Low60 Ų60101.4 Ų101.439%0.3953%0.525SS..G310 helixtrans-42.1-41.3173.6-3131.9000113.6W213 E276 Q307 H308W213-P305 HydrophobicContact CG-CG 4.4Å; E276-P305 VanDerWaalsContact OE2-CD 3.32Å; E276-P305 WeakPolarHBondContact OE2-CD 3.45Å; P305-Q307 PolarHBondContact O-N 3.41Å; P305-H308 PolarHBondContact O-N 3.22Å
306D66.5Low57.4Low130 Ų130103.2 Ų103.270%0.69554%0.544SS*.G310 helixtrans-65.5-20.6-179.1-65.7-15.3000113.2P304P304-D306 PolarHBondContact O-N 2.88Å; P304-D306 VanDerWaalsContact O-N 3.08Å
307Q59.8Low55.1Low43 Ų43104 Ų10420%0.20155%0.547CS..G310 helixtrans-102.40.3179.1-63-178.8-100113.6S267 E277 K303 P304 P305 K309S267-Q307 PolarHBondContact OG-NE2 3.41Å; S267-Q307 PolarHBondContact OG-OE1 3.38Å; E277-Q307 PolarHBondContact OE1-NE2 3.46Å; K303-Q307 HydrophobicContact CB-CB 4.24Å; P304-Q307 HydrophobicContact CB-CG 4.46Å; P304-Q307 WeakPolarHBondContact O-CA 3.06Å; P304-Q307 WeakPolarHBondContact O-CB 3.44Å; P304-Q307 PolarHBondContact O-N 3.19Å; P305-Q307 PolarHBondContact O-N 3.41Å; Q307-K309 PolarHBondContact O-N 3.35Å
308H59.7Low52.8Low88 Ų88102 Ų10241%0.40755%0.546SS..  trans-72.8114.1174.2-79.4-104.1000110.1K303 P304 P305 H310K303-H308 PolarHBondContact O-NE2 3.29Å; K303-H308 VanDerWaalsContact O-NE2 3.08Å; P304-H308 PolarHBondContact O-CD2 2.94Å; P304-H308 VanDerWaalsContact O-CD2 3.24Å; P304-H308 PolarHBondContact O-N 3.37Å; P305-H308 PolarHBondContact O-N 3.22Å; H308-H310 PolarHBondContact O-N 3.19Å
309K46Very low50.4Low195 Ų195110.9 Ų110.985%0.84858%0.578SS**  trans-59.5121.8166.7-72.6-176177.2-175.90108.7Q307Q307-K309 PolarHBondContact O-N 3.35Å
310H37.7Very low48.6Very low156 Ų156113.6 Ų113.672%0.72260%0.596SS**  trans-58.3129.7175.1-90.8-72.7000109.9H308 C312H308-H310 PolarHBondContact O-N 3.19Å; H310-C312 PolarHBondContact O-N 3Å
311P34.4Very low47.1Very low125 Ų125114.7 Ų114.781%0.81260%0.601SS**THydrogen-bonded Turntrans-6814.8179-18.530.9000115.3
312C31.9Very low45.7Very low110 Ų110119.6 Ų119.674%0.74363%0.625SS**THydrogen-bonded Turntrans-93.1-7.7-171.6-66.70000114.5H310H310-C312 PolarHBondContact O-N 3Å
313D32.5Very low43.7Very low152 Ų152123.8 Ų123.881%0.81365%0.647SS**SBendtrans-1050.8-169.2-71.6-30.7000116.1
314E33.6Very low41.9Very low186 Ų186122.8 Ų122.887%0.86965%0.647SS**SBendtrans-136.112.2-169.9-124.2169.4-169.400118.1
315M28.9Very low39.8Very low191 Ų191131.6 Ų131.694%0.94169%0.688SS**  trans-137.764.2172.1-74.2177.272.400112.6
316A26.6Very low38.2Very low88 Ų88130.3 Ų130.373%0.72768%0.679SS**  trans-93.7147.4152.200000108.2
317I29.9Very low36.8Very low167 Ų167127.2 Ų127.286%0.85666%0.662SS**  trans100.279.9175.5-46.5153.7000114
318T30.5Very low35.4Very low124 Ų124131.5 Ų131.576%0.76168%0.68SS**  -164.6125.89838.40000107.5
319R29.8Very low34.2Very low207 Ų207132.6 Ų132.678%0.78168%0.681SS**  trans-69.9147-179.7-61.8179.8-156.9-175.96109.4E321R319-E321 PolarHBondContact O-N 2.98Å
320P33.3Very low33.5Very low109 Ų109128.6 Ų128.671%0.70867%0.674SS**THydrogen-bonded Turntrans-69.47.4-175.5-14.729.8000115.4
321E39Very low33.2Very low168 Ų168131.6 Ų131.679%0.78568%0.679SS**THydrogen-bonded Turntrans-98.3-5.1-164.2-63.9-179-179.900114.1R319R319-E321 PolarHBondContact O-N 2.98Å
322D38.6Very low33.3Very low142 Ų142136.1 Ų136.176%0.75968%0.68SS**SBendtrans-104.915.9179.5-68.6-40.2000114
323I35.8Very low33.3Very low94 Ų94142 Ų14248%0.48269%0.687SS.*  trans-84122.3-177.9-54.1172000109.1
324P37.9Very low33.3Very low43 Ų43137.8 Ų137.828%0.27967%0.666SS.*  trans-61.5143.8176.324.2-31.8000110.8V326P324-V326 WeakPolarHBondContact O-CG2 3.38Å; P324-V326 PolarHBondContact O-N 3.28Å
325E33.6Very low33.5Very low186 Ų186129.9 Ų129.987%0.86963%0.63SS**  trans-53.8105.8-177.7-150.5178.4-158.200111.1
326V36.2Very low34Very low32 Ų32127.3 Ų127.319%0.19461%0.614CS.*PPolyproline II helixtrans-84117.4178.3178.50000108.7I50 P324 F328I50-V326 HydrophobicContact CB-CG1 4.26Å; I50-V326 HydrophobicContact CD1-CG1 3.53Å; I50-V326 HydrophobicContact CG1-CG1 3.67Å; P324-V326 WeakPolarHBondContact O-CG2 3.38Å; P324-V326 PolarHBondContact O-N 3.28Å; V326-F328 HydrophobicContact CB-CE2 4.16Å; V326-F328 HydrophobicContact CG1-CD2 4.42Å; V326-F328 HydrophobicContact CG1-CE2 4.05Å; V326-F328 HydrophobicContact CG1-CZ 4.19Å; V326-F328 WeakPolarHBondContact O-CD2 3.5Å; V326-F328 PolarHBondContact O-N 3.5Å
327I37.1Very low34.4Very low65 Ų65129.5 Ų129.533%0.33361%0.609SS.*EExtended strand (participates in β ladder)trans-79.5116.1176.5-59.2174.2000109.1W329I327-W329 HydrophobicContact CG2-CD2 4.34Å; I327-W329 HydrophobicContact CG2-CZ2 3.9Å
328F29.7Very low34.4Very low134 Ų134126.7 Ų126.759%0.58860%0.602SS**EExtended strand (participates in β ladder)trans-91.9125.4174.1-70.8-87.5000110.7M52 V326M52-F328 HydrophobicContact CE-CB 4.17Å; M52-F328 HydrophobicContact CE-CD1 3.63Å; M52-F328 HydrophobicContact CE-CG 4.4Å; M52-F328 HydrophobicContact SD-CD1 3.74Å; M52-F328 HydrophobicContact SD-CE1 4.13Å; V326-F328 HydrophobicContact CB-CE2 4.16Å; V326-F328 HydrophobicContact CG1-CD2 4.42Å; V326-F328 HydrophobicContact CG1-CE2 4.05Å; V326-F328 HydrophobicContact CG1-CZ 4.19Å; V326-F328 WeakPolarHBondContact O-CD2 3.5Å; V326-F328 PolarHBondContact O-N 3.5Å
329W35.4Very low34.5Very low111 Ų111127.6 Ų127.642%0.4260%0.601SS.*  trans-105.2136.9174.9-65.6102.2000111.9P35 M52 I327P35-W329 HydrophobicContact CB-CD2 3.75Å; P35-W329 HydrophobicContact CB-CE3 3.93Å; P35-W329 HydrophobicContact CB-CG 4.3Å; P35-W329 HydrophobicContact CB-CH2 4.14Å; P35-W329 HydrophobicContact CB-CZ2 3.96Å; P35-W329 HydrophobicContact CB-CZ3 4.13Å; P35-W329 HydrophobicContact CG-CD2 4.28Å; P35-W329 HydrophobicContact CG-CE3 4.32Å; M52-W329 WeakPolarHBondContact CE-O 3.43Å; I327-W329 HydrophobicContact CG2-CD2 4.34Å; I327-W329 HydrophobicContact CG2-CZ2 3.9Å
330P31.6Very low34.5Very low110 Ų110124.5 Ų124.571%0.71460%0.599SS**  trans-78154.9-176.330.3-33000113.4R332P330-R332 PolarHBondContact O-N 3.15Å
331R31.5Very low34.3Very low219 Ų219127.6 Ų127.683%0.82660%0.604SS**  trans-46.6118.4-175.5-69.8179175.9173.2-2.2113.5
332R35.3Very low34Very low221 Ų221125.8 Ų125.883%0.83460%0.6SS**  trans-115.7132.5157-77.8-171.3179.8-163.30.5109.9P330 V334P330-R332 PolarHBondContact O-N 3.15Å; R332-V334 PolarHBondContact O-N 3.15Å
333R32.8Very low33.5Very low234 Ų234127.7 Ų127.788%0.88360%0.604SS**  trans-72.694.1171.5-106.7-176.4-87.4-171.9-8.3108.4
334V31.5Very low33.2Very low62 Ų62130.5 Ų130.538%0.37662%0.619SS.*  trans-164.2105.8143.1-166.80000108.2R332 Q337R332-V334 PolarHBondContact O-N 3.15Å; V334-Q337 HydrophobicContact CG1-CB 3.99Å
335L38.5Very low32.9Very low21 Ų21134.3 Ų134.311%0.1164%0.641CS.*SBendtrans-147.7108.4156-137.2149.7000101.3L30 H53L30-L335 HydrophobicContact CD2-CD1 3.27Å; L30-L335 HydrophobicContact CD2-CG 3.92Å; H53-L335 HydrophobicContact CB-CD1 3.77Å; H53-L335 VanDerWaalsContact CE1-CB 3.41Å; H53-L335 WeakPolarHBondContact CE1-CB 3.42Å; H53-L335 VanDerWaalsContact CG-CD1 3.43Å; H53-L335 VanDerWaalsContact NE2-CB 3.34Å; H53-L335 WeakPolarHBondContact NE2-CB 3.45Å
336F38.6Very low32.7Very low137 Ų137134.2 Ų134.260%0.60164%0.641SS**  trans82.570.5-165.5-39.6-64.8000115.7R190R190-F336 HydrophobicContact CG-CE1 4.06Å; R190-F336 HydrophobicContact CG-CZ 4.02Å
337Q35.5Very low32.6Very low134 Ų134137.4 Ų137.463%0.62667%0.671SS**  trans-101.4129.5149-161.4157.11.300107.2V334 L339V334-Q337 HydrophobicContact CG1-CB 3.99Å; Q337-L339 PolarHBondContact O-N 3.11Å
338P30.4Very low32.5Very low108 Ų108141.7 Ų141.770%0.70169%0.69SS**  trans-68.6123.8176.628-29.5000108.1L340P338-L340 PolarHBondContact O-N 3.18Å
339L32.5Very low33Very low142 Ų142140.6 Ų140.674%0.74369%0.69SS**  trans-59.3106.1146.4-74.2150.2000103.9Q337Q337-L339 PolarHBondContact O-N 3.11Å
340L30.2Very low33.2Very low142 Ų142144.8 Ų144.874%0.74371%0.711SS**  56.266.653.6-131.1155.3000110.8P338P338-L340 PolarHBondContact O-N 3.18Å
341Q29.5Very low33.6Very low175 Ų175149.7 Ų149.782%0.81872%0.721SS**  -127.9120.8126.7-99.8153.2-20.200106
342D31.5Very low34.1Very low130 Ų130145.5 Ų145.570%0.69571%0.711SS**  trans32.8100.8134.6-56.8-25.4000112.9L344D342-L344 PolarHBondContact O-N 2.99Å
343E28Very low34.3Very low182 Ų182145.9 Ų145.985%0.8571%0.712SS**  26.790.290.5-82.9-167.7166.600110.4
344L29.4Very low34.9Very low153 Ų153139.1 Ų139.180%0.80169%0.693SS**  trans159.1120.3131.6-80.9159.7000107.8D342D342-L344 PolarHBondContact O-N 2.99Å
345V31.6Very low35.6Very low122 Ų122140.8 Ų140.874%0.73970%0.699SS**  trans80.3137.4134.9179.90000115.3
346E30.2Very low36.1Very low184 Ų184145.6 Ų145.686%0.8673%0.732SS**  trans85.965.4174.1-60173.8-17000119.3
347A35Very low36.9Very low100 Ų100142.8 Ų142.883%0.82673%0.734SS**  trans-152.928.4143.300000114D349A347-D349 PolarHBondContact O-N 2.94Å
348E34.9Very low37.8Very low155 Ų155141.9 Ų141.972%0.72473%0.733SS**SBendtrans-85.862.1148.4-83.2-177.9159.700107.5
349D39.2Very low39Very low111 Ų111145.2 Ų145.259%0.59474%0.742SS**  trans-16086.2170.8-112.1-13.5000112.3A347A347-D349 PolarHBondContact O-N 2.94Å
350K39.6Very low40.1Very low199 Ų199146.1 Ų146.187%0.86575%0.747SS**SBendtrans-1762.2150.4-101.2172.4-169.3-1790112.4
351K39.3Very low41.7Very low213 Ų213144.2 Ų144.293%0.92674%0.741SS**SBendtrans-100.71.5155.5-92.2-177.8175.7179.80114.1
352H42.6Very low42.5Very low131 Ų131143.1 Ų143.161%0.60673%0.734SS**  trans-11071.2154.2-72.5-49.2000108.3I354H352-I354 VanDerWaalsContact C-N 3.29Å; H352-I354 HydrophobicContact CB-CG1 4.5Å; H352-I354 PolarHBondContact O-N 3.42Å
353W40.3Very low43.8Very low228 Ų228143.7 Ų143.786%0.86474%0.737SS**  trans-7399.3160.2-169.8-19.7000106.4
354I44.1Very low45.5Very low93 Ų93144 Ų14448%0.47774%0.735SS.*  trans-81.6115.6169.4-63.4163.2000106.4H352 F362H352-I354 VanDerWaalsContact C-N 3.29Å; H352-I354 HydrophobicContact CB-CG1 4.5Å; H352-I354 PolarHBondContact O-N 3.42Å; I354-F362 HydrophobicContact CD1-CE2 3.93Å
355D47.5Very low46.8Very low96 Ų96144.2 Ų144.251%0.51373%0.733SS.*  trans-51.7123.8174.3-173.3-11.8000109.3A357 N358D355-A357 PolarHBondContact O-N 3.23Å; D355-A357 VanDerWaalsContact OD1-CB 3.3Å; D355-A357 WeakPolarHBondContact OD1-CB 3.5Å; D355-A357 PolarHBondContact OD1-N 3.24Å; D355-N358 PolarHBondContact O-N 2.92Å; D355-N358 VanDerWaalsContact O-N 3.08Å
356P47.6Very low47.8Very low122 Ų122145.9 Ų145.979%0.79273%0.73SS**THydrogen-bonded Turntrans-58.1-4.1174.821.2-30.3000113.6
357A56.7Low49.1Very low79 Ų79141 Ų14165%0.65372%0.716SS**THydrogen-bonded Turntrans-85.7-3.4172.700000116.5D355D355-A357 PolarHBondContact O-N 3.23Å; D355-A357 VanDerWaalsContact OD1-CB 3.3Å; D355-A357 WeakPolarHBondContact OD1-CB 3.5Å; D355-A357 PolarHBondContact OD1-N 3.24Å
358N54Low50.3Low114 Ų114139.5 Ų139.561%0.6170%0.704SS**  trans-131.780.1-170.2-123.5-6.3000114.7D355D355-N358 PolarHBondContact O-N 2.92Å; D355-N358 VanDerWaalsContact O-N 3.08Å
359M54.5Low51.4Low178 Ų178137.1 Ų137.188%0.87770%0.7SS**  trans-96.912.5-174-109.3-161.882.900116.2
360L56.8Low52.1Low161 Ų161135.7 Ų135.784%0.84370%0.695SS**SBendtrans-111.6-1.2-164.1-69.3170.2000117.3
361T62.5Low52.9Low102 Ų102132.3 Ų132.363%0.62669%0.686SS**  trans-133.218.1-172.551.50000116.6D363T361-D363 PolarHBondContact O-N 2.79Å
362F48.2Very low53.8Low152 Ų152129.4 Ų129.467%0.66768%0.676SS**THydrogen-bonded Turntrans-59.6-36-167.5-155.1-96.6000116.3I354I354-F362 HydrophobicContact CD1-CE2 3.93Å
363D57.2Low54.2Low143 Ų143129.6 Ų129.677%0.76568%0.675SS**THydrogen-bonded Turntrans-84.9-14.2-165.5-69.5-25.2000116.1T361T361-D363 PolarHBondContact O-N 2.79Å
364K63.3Low54.6Low187 Ų187124.3 Ų124.381%0.81366%0.664SS**THydrogen-bonded Turntrans-92.8-23.7-171.4-75.5-177.9178.6175.90114.9
365E57.1Low55.2Low159 Ų159129.9 Ų129.974%0.74368%0.679SS**THydrogen-bonded Turntrans-92.1-23.1-175.6-73.4-176.7158.400113.3
366F53.3Low55.4Low157 Ų157132.1 Ų132.169%0.68969%0.686SS**Hα-helixtrans-73-29.8-175-162.9-103.6000114A368 T370F366-A368 PolarHBondContact O-N 3.31Å; F366-T370 PolarHBondContact O-OG1 3.48Å
367S56.4Low55.6Low80 Ų80132.9 Ų132.956%0.55968%0.679SS**Hα-helixtrans-79.6-14.1-175.359.40000115.3
368A62.2Low55.3Low69 Ų69133.5 Ų133.557%0.5768%0.679SS**Hα-helixtrans-83.7-32.3-176.200000113.2F366F366-A368 PolarHBondContact O-N 3.31Å
369V57Low55.5Low106 Ų106135.2 Ų135.264%0.64268%0.683SS**Hα-helixtrans-79.9-27-170.5-179.10000112.6N371V369-N371 PolarHBondContact O-N 3.3Å
370T54.4Low55.7Low81 Ų81131.8 Ų131.850%0.49767%0.668SS.*Hα-helixtrans-74.7-24.6-172-32.50000113.9F366F366-T370 PolarHBondContact O-OG1 3.48Å
371N56.2Low55.9Low128 Ų128130.1 Ų130.168%0.68466%0.659SS**Hα-helixtrans-82.7-16.4-176.2-81.7-30.3000114.3V369V369-N371 PolarHBondContact O-N 3.3Å
372E58Low56.1Low152 Ų152128.8 Ų128.871%0.7166%0.658SS**Hα-helixtrans-91-31.2-173.1-143.4152.3-155.300112.4
373K50.2Low57.1Low134 Ų134128.5 Ų128.558%0.58366%0.657SS**Hα-helixtrans-69.7-34.9-177.6-156.8174.2-178.1178.90113.6R375K373-R375 VanDerWaalsContact C-N 3.29Å; K373-R375 PolarHBondContact O-N 3.09Å
374N49.6Very low57.5Low118 Ų118128.8 Ų128.863%0.63165%0.651SS**THydrogen-bonded Turntrans-72.6-14.6-177-74.9-18.6000114.6
375R55.9Low57.9Low210 Ų210125.1 Ų125.179%0.79264%0.641SS**THydrogen-bonded Turntrans-84.8-24.1-179.7-81.5-179.6171163.5-1.4113.9K373K373-R375 VanDerWaalsContact C-N 3.29Å; K373-R375 PolarHBondContact O-N 3.09Å
376Q53.3Low58.7Low142 Ų142124.7 Ų124.766%0.66464%0.636SS**THydrogen-bonded Turntrans-86.6-30.2-173.9-82.6162.2-27.800113.8S378Q376-S378 PolarHBondContact O-N 3.38Å
377E50Low59.6Low139 Ų139121 Ų12165%0.6562%0.624SS**Hα-helixtrans-70.2-25-176.6-73.5-175.6154.900114.7
378S51.4Low60.3Low91 Ų91121.2 Ų121.264%0.63662%0.618SS**Hα-helixtrans-76.9-23.3-177.560.30000114.3Q376Q376-S378 PolarHBondContact O-N 3.38Å
379H58.5Low61Low151 Ų151125.9 Ų125.970%0.69963%0.625SS**Hα-helixtrans-87.1-26.1-175-155.5-87.8000112.8
380D57.7Low61.9Low106 Ų106126.9 Ų126.957%0.56762%0.623SS**Hα-helixtrans-80.2-24.8-178-76.5-22.7000113.8
381L61.3Low62.5Low126 Ų126127.2 Ų127.266%0.6662%0.621SS**Hα-helixtrans-73.7-30.9-179.4-153.380.3000112.8
382A66.8Low63.5Low73 Ų73130 Ų13060%0.60362%0.622SS**Hα-helixtrans-74.2-32.1179.300000112.6
383K69.1Low64.4Low146 Ų146125.8 Ų125.864%0.63561%0.613SS**Hα-helixtrans-71.1-45.3-178.9-162.8174.4-179.9-176.20111.7N385 K386K383-N385 VanDerWaalsContact C-N 3.28Å; K383-N385 PolarHBondContact O-N 3.31Å; K383-K386 PolarHBondContact O-N 3.06Å; K383-K386 VanDerWaalsContact O-N 3.17Å
384K66.2Low65.4Low149 Ų149123 Ų12365%0.64861%0.611SS**Hα-helixtrans-59.6-32.6179-77.1180176171.70114.2I388K384-I388 WeakPolarHBondContact O-CD1 3.49Å; K384-I388 WeakPolarHBondContact O-CG1 3.41Å
385N70.5Confident66.4Low111 Ų111120.3 Ų120.359%0.59460%0.596SS**Hα-helixtrans-75.6-22-179.2-82.3-32.6000114K383K383-N385 VanDerWaalsContact C-N 3.28Å; K383-N385 PolarHBondContact O-N 3.31Å
386K74.3Confident67.3Low150 Ų150112.9 Ų112.965%0.65258%0.58SS**Hα-helixtrans-78.6-42.7178.2-161.2178.2178.9-174.20110.9K383 I388 K389 E390K383-K386 PolarHBondContact O-N 3.06Å; K383-K386 VanDerWaalsContact O-N 3.17Å; K386-I388 VanDerWaalsContact C-N 3.32Å; K386-I388 PolarHBondContact O-N 3.33Å; K386-K389 PolarHBondContact O-N 3.21Å; K386-K389 VanDerWaalsContact O-N 3.11Å; K386-E390 PolarHBondContact O-N 3.3Å
387D72.6Confident68.3Low79 Ų79112.6 Ų112.642%0.42258%0.578SS.*Hα-helixtrans-65.3-34.4-178.2-56.9-18.4000112K389 E390 L391D387-K389 VanDerWaalsContact C-N 3.29Å; D387-K389 PolarHBondContact O-N 3.37Å; D387-E390 PolarHBondContact O-N 3.16Å; D387-L391 PolarHBondContact O-N 3.31Å
388I71Confident69.2Low85 Ų85107.8 Ų107.844%0.43656%0.559SS.*Hα-helixtrans-66.4-28.8176.2-68.3169.6000112.5K384 K386K384-I388 WeakPolarHBondContact O-CD1 3.49Å; K384-I388 WeakPolarHBondContact O-CG1 3.41Å; K386-I388 VanDerWaalsContact C-N 3.32Å; K386-I388 PolarHBondContact O-N 3.33Å
389K76.1Confident70.3Confident166 Ų166111.8 Ų111.872%0.72256%0.561SS**Hα-helixtrans-76.8-38.1179.8-112.5-179.9178.8179.90112K386 D387K386-K389 PolarHBondContact O-N 3.21Å; K386-K389 VanDerWaalsContact O-N 3.11Å; D387-K389 VanDerWaalsContact C-N 3.29Å; D387-K389 PolarHBondContact O-N 3.37Å
390E75.8Confident71.1Confident128 Ų128110 Ų11060%0.59856%0.556SS**Hα-helixtrans-69.5-42.2176.6-89.8173.3165.200111.9K386 D387 R392 A393 S394K386-E390 PolarHBondContact O-N 3.3Å; D387-E390 PolarHBondContact O-N 3.16Å; E390-R392 VanDerWaalsContact C-N 3.26Å; E390-R392 PolarHBondContact O-N 2.98Å; E390-A393 PolarHBondContact O-N 3.46Å; E390-A393 VanDerWaalsContact O-N 3.1Å; E390-S394 PolarHBondContact O-N 2.92Å; E390-S394 PolarHBondContact O-OG 2.9Å; E390-S394 VanDerWaalsContact O-OG 3.05Å
391L69Low71.7Confident87 Ų87108.7 Ų108.746%0.45555%0.549SS..Hα-helixtrans-59.6-31.4176.9-92151.6000113.8D387 L395D387-L391 PolarHBondContact O-N 3.31Å; L391-L395 PolarHBondContact O-N 3.18Å
392R76Confident72Confident187 Ų187105.2 Ų105.271%0.70653%0.531SS*.Hα-helixtrans-73.4-31.1176.5-79.6-178.2175.6156.40.8113.5E390E390-R392 VanDerWaalsContact C-N 3.26Å; E390-R392 PolarHBondContact O-N 2.98Å
393A76.6Confident72.2Confident63 Ų63104.5 Ų104.552%0.52153%0.525SS..Hα-helixtrans-72.3-42177.900000111.2E390 L395 A396 Q397E390-A393 PolarHBondContact O-N 3.46Å; E390-A393 VanDerWaalsContact O-N 3.1Å; A393-L395 VanDerWaalsContact C-N 3.31Å; A393-L395 PolarHBondContact O-N 2.99Å; A393-A396 PolarHBondContact O-N 3.39Å; A393-Q397 PolarHBondContact O-N 3.12Å
394S71.7Confident72.2Confident76 Ų76103.8 Ų103.853%0.53152%0.524SS..Hα-helixtrans-63.4-34.8177.9-39.80000112.8E390 A396 Q397 C398E390-S394 PolarHBondContact O-N 2.92Å; E390-S394 PolarHBondContact O-OG 2.9Å; E390-S394 VanDerWaalsContact O-OG 3.05Å; S394-A396 PolarHBondContact O-N 2.84Å; S394-Q397 PolarHBondContact O-N 3.15Å; S394-C398 PolarHBondContact O-N 2.94Å
395L70.8Confident72.1Confident61 Ų61103.3 Ų103.332%0.31952%0.518SS..Hα-helixtrans-71.2-24.7177-106.8162.5000113.9L391 A393 K476L391-L395 PolarHBondContact O-N 3.18Å; A393-L395 VanDerWaalsContact C-N 3.31Å; A393-L395 PolarHBondContact O-N 2.99Å; L395-K476 HydrophobicContact CD2-CB 4.08Å; L395-K476 HydrophobicContact CD2-CD 3.84Å; L395-K476 HydrophobicContact CD2-CG 3.86Å
396A74.9Confident71.6Confident55 Ų55100.4 Ų100.446%0.45551%0.509SS..Hα-helixtrans-76-38174.900000111.5A393 S394 R399 N400A393-A396 PolarHBondContact O-N 3.39Å; S394-A396 PolarHBondContact O-N 2.84Å; A396-R399 PolarHBondContact O-N 3.21Å; A396-N400 PolarHBondContact O-N 3.29Å
397Q74.9Confident71Confident135 Ų13598.8 Ų98.863%0.63151%0.507SS*.Hα-helixtrans-70.1-42.8179.2-163.6159.7-4.100112A393 S394 R399 N400 D401A393-Q397 PolarHBondContact O-N 3.12Å; S394-Q397 PolarHBondContact O-N 3.15Å; Q397-R399 PolarHBondContact O-N 3.43Å; Q397-N400 PolarHBondContact O-N 3.41Å; Q397-N400 VanDerWaalsContact O-N 3.16Å; Q397-D401 PolarHBondContact O-N 3.34Å
398C67.8Low70.5Confident38 Ų3899 Ų9926%0.25751%0.511SS..Hα-helixtrans-60.5-28.9174.4-175.60000113.2S394 L402S394-C398 PolarHBondContact O-N 2.94Å; C398-L402 WeakPolarHBondContact O-CD1 3.39Å; C398-L402 PolarHBondContact O-N 3.09Å
399R74.6Confident69.6Low175 Ų175102.2 Ų102.266%0.6652%0.524SS*.Hα-helixtrans-74.2-30.4178.9-158.5176.9-174.5166.1-1112.9A396 Q397 A403A396-R399 PolarHBondContact O-N 3.21Å; Q397-R399 PolarHBondContact O-N 3.43Å; R399-A403 PolarHBondContact O-N 2.95Å
400N76.3Confident68.2Low113 Ų113102 Ų10260%0.60452%0.523SS*.Hα-helixtrans-77.7-41.5179.3-69.5-16.4000111.5A396 Q397 L402 A403 E404A396-N400 PolarHBondContact O-N 3.29Å; Q397-N400 PolarHBondContact O-N 3.41Å; Q397-N400 VanDerWaalsContact O-N 3.16Å; N400-L402 PolarHBondContact O-N 3.18Å; N400-A403 PolarHBondContact O-N 2.94Å; N400-A403 VanDerWaalsContact O-N 3.08Å; N400-E404 PolarHBondContact O-N 2.78Å; N400-E404 VanDerWaalsContact O-N 3.11Å
401D70.5Confident66.8Low79 Ų79104 Ų10442%0.42253%0.533SS..Hα-helixtrans-61-31.6175.9-73.8-1.9000112.4Q397 R405Q397-D401 PolarHBondContact O-N 3.34Å; D401-R405 WeakPolarHBondContact O-CG 3.5Å; D401-R405 PolarHBondContact O-N 3.37Å; D401-R405 VanDerWaalsContact O-N 3.15Å
402L67.2Low65.5Low54 Ų54108.5 Ų108.528%0.28355%0.548SS..Hα-helixtrans-78.1-27.1176.7-103.5133.3000114.6C398 N400 A406 I477C398-L402 WeakPolarHBondContact O-CD1 3.39Å; C398-L402 PolarHBondContact O-N 3.09Å; N400-L402 PolarHBondContact O-N 3.18Å; L402-A406 PolarHBondContact O-N 3.18Å; L402-I477 HydrophobicContact CB-CD1 4.36Å; L402-I477 HydrophobicContact CD1-CB 3.49Å; L402-I477 VanDerWaalsContact CD1-CB 3.49Å; L402-I477 HydrophobicContact CD1-CD1 3.39Å; L402-I477 HydrophobicContact CD1-CG1 3.74Å; L402-I477 HydrophobicContact CD1-CG2 3.76Å; L402-I477 HydrophobicContact CD2-CB 4.49Å; L402-I477 HydrophobicContact CD2-CD1 3.24Å; L402-I477 HydrophobicContact CD2-CG1 4.33Å; L402-I477 HydrophobicContact CD2-CG2 4.06Å; L402-I477 HydrophobicContact CG-CD1 3.73Å; L402-I477 HydrophobicContact CG-CG2 4.42Å
403A70.2Confident63.5Low57 Ų57102 Ų10247%0.47153%0.532SS..Hα-helixtrans-72.3-35.3170.600000111.5R399 N400 A406 L407R399-A403 PolarHBondContact O-N 2.95Å; N400-A403 PolarHBondContact O-N 2.94Å; N400-A403 VanDerWaalsContact O-N 3.08Å; A403-A406 PolarHBondContact O-N 3.22Å; A403-L407 PolarHBondContact O-N 3.37Å
404E69.9Low61.4Low132 Ų132104.3 Ų104.362%0.61754%0.544SS*.Hα-helixtrans-71.7-41.5179.3-162.8171-168.600112.2N400 A406 L407 V408N400-E404 PolarHBondContact O-N 2.78Å; N400-E404 VanDerWaalsContact O-N 3.11Å; E404-A406 VanDerWaalsContact C-N 3.27Å; E404-A406 PolarHBondContact O-N 2.99Å; E404-L407 PolarHBondContact O-N 2.79Å; E404-V408 PolarHBondContact O-N 3.27Å
405R63.7Low59.4Low139 Ų139109.5 Ų109.553%0.52556%0.557SS.*Hα-helixtrans-63.5-30.7174.2-70.7173.6-175.1-177.80.4113D401 Q409 E479D401-R405 WeakPolarHBondContact O-CG 3.5Å; D401-R405 PolarHBondContact O-N 3.37Å; D401-R405 VanDerWaalsContact O-N 3.15Å; R405-Q409 PolarHBondContact O-N 3.08Å; R405-E479 IonicContact CZ-OE1 3.94Å; R405-E479 IonicContact NH1-OE1 3.73Å; R405-E479 PolarHBondContact NH1-OE1 3.3Å; R405-E479 IonicContact NH2-OE1 3.72Å
406A60.2Low57.5Low49 Ų49114.4 Ų114.441%0.40558%0.584SS.*Hα-helixtrans-72.8-25.6176.200000113.7L402 A403 E404 K410L402-A406 PolarHBondContact O-N 3.18Å; A403-A406 PolarHBondContact O-N 3.22Å; E404-A406 VanDerWaalsContact C-N 3.27Å; E404-A406 PolarHBondContact O-N 2.99Å; A406-K410 PolarHBondContact O-N 3.4Å
407L60.5Low55.4Low117 Ų117116.4 Ų116.461%0.61359%0.591SS**Hα-helixtrans-79.6-37175.7-79.6162.1000112.2A403 E404 Q409 K410 Q411A403-L407 PolarHBondContact O-N 3.37Å; E404-L407 PolarHBondContact O-N 2.79Å; L407-Q409 VanDerWaalsContact C-N 3.34Å; L407-Q409 PolarHBondContact O-N 2.94Å; L407-K410 PolarHBondContact O-N 2.9Å; L407-Q411 PolarHBondContact O-N 2.88Å
408V62.4Low53.3Low83 Ų83119.2 Ų119.250%0.50360%0.601SS.*Hα-helixtrans-69-31.6177.3178.30000112E404E404-V408 PolarHBondContact O-N 3.27Å
409Q52.2Low51.4Low152 Ų152125.6 Ų125.671%0.7163%0.632SS**Hα-helixtrans-73.6-29.3173.8-81.1-178.9-22.900113.4R405 L407R405-Q409 PolarHBondContact O-N 3.08Å; L407-Q409 VanDerWaalsContact C-N 3.34Å; L407-Q409 PolarHBondContact O-N 2.94Å
410K46.3Very low49.4Very low161 Ų161126.2 Ų126.270%0.764%0.642SS**Hα-helixtrans-69.6-32.4175.8-85.6179.6174.5178.60113A406 L407 S413A406-K410 PolarHBondContact O-N 3.4Å; L407-K410 PolarHBondContact O-N 2.9Å; K410-S413 PolarHBondContact O-OG 3.37Å
411Q47.1Very low47.5Very low171 Ų171124 Ų12480%0.79965%0.646SS**Hα-helixtrans-78.9-19-178.8-70.9-176.8-1100114.7L407L407-Q411 PolarHBondContact O-N 2.88Å
412K42.2Very low46Very low181 Ų181126.4 Ų126.479%0.78766%0.664SS**THydrogen-bonded Turntrans-88.82.1177.1-82.4178.6174.5175.70114.6
413S33.4Very low44.6Very low52 Ų52129.4 Ų129.436%0.36468%0.68SS.*  trans-106.712.6-168.869.30000115.8K410K410-S413 PolarHBondContact O-OG 3.37Å
414S32.2Very low43.2Very low110 Ų110131 Ų13177%0.76969%0.687SS**SBendtrans-101.611.5-171.4-159.20000116.5
415K30.5Very low42.2Very low185 Ų185132 Ų13280%0.80469%0.691SS**SBendtrans-140.7116.4165.1-85.4178.8174.7175.20106.9
416D29.7Very low41.6Very low164 Ų164129 Ų12988%0.87769%0.691SS**SBendtrans68.196.3176.1-47.9-32000116
417T31.9Very low41.3Very low98 Ų98130.1 Ų130.160%0.60169%0.688SS**  trans-134.3135.1-176.314.30000109.6
418K30.8Very low40.9Very low194 Ų194127.6 Ų127.684%0.84368%0.678SS**  cis-146.210727.8-69.3175.9174.9169.30112.3
419D28.7Very low40.7Very low171 Ų171126.4 Ų126.491%0.91468%0.676SS**  trans-11381.4160-124.8-9.5000106.9
420Q32Very low40.8Very low188 Ų188122.2 Ų122.288%0.87966%0.658SS**  trans-157.8131175.4-67.5-170.2-1300108.9
421G36.8Very low41.3Very low66 Ų66119.9 Ų119.968%0.6865%0.649SS**  cis-156.21211400000112.7L423G421-L423 PolarHBondContact O-N 2.91Å
422T39.1Very low41.8Very low130 Ų130117.3 Ų117.380%0.79864%0.635SS**  trans-61.541.7171.412.70000114.1
423L36.5Very low42.7Very low118 Ų118114.2 Ų114.262%0.61862%0.623SS**  trans-90.8-15-177.4-142.489.3000114.3G421G421-L423 PolarHBondContact O-N 2.91Å
424C41.7Very low43.8Very low91 Ų91112.8 Ų112.862%0.61561%0.611SS**Hα-helixtrans-85-17.3-173.5-154.40000113.8V428C424-V428 VanDerWaalsContact O-CB 3.26Å; C424-V428 WeakPolarHBondContact O-CB 3.35Å; C424-V428 WeakPolarHBondContact O-CG2 3.29Å; C424-V428 PolarHBondContact O-N 3.34Å
425Q48.8Very low45Very low153 Ų153112.5 Ų112.572%0.71560%0.596SS**Hα-helixtrans-80-33-176-73.7-174.1-4.900113.8A429Q425-A429 WeakPolarHBondContact O-CB 3.31Å; Q425-A429 PolarHBondContact O-N 3.1Å
426S51.2Low46.5Very low74 Ų74112.1 Ų112.152%0.51759%0.589SS.*Hα-helixtrans-74.4-41179.351.40000112.1A429 L430S426-A429 PolarHBondContact O-N 3.15Å; S426-L430 WeakPolarHBondContact O-CB 3.49Å; S426-L430 PolarHBondContact O-N 3.44Å
427E53.2Low47.9Very low73 Ų73107.8 Ų107.834%0.34156%0.563SS.*Hα-helixtrans-69-39.5177.6-64.7179.2171.900111.9L430 F431E427-L430 PolarHBondContact O-N 3.01Å; E427-F431 WeakPolarHBondContact O-CB 3.45Å; E427-F431 PolarHBondContact O-N 3.07Å
428V52.5Low49.2Very low65 Ų65104.9 Ų104.939%0.39454%0.543SS..Hα-helixtrans-68.6-34.8173.1172.30000111.7C424 K432C424-V428 VanDerWaalsContact O-CB 3.26Å; C424-V428 WeakPolarHBondContact O-CB 3.35Å; C424-V428 WeakPolarHBondContact O-CG2 3.29Å; C424-V428 PolarHBondContact O-N 3.34Å; V428-K432 HydrophobicContact CG1-CD 4.29Å; V428-K432 VanDerWaalsContact O-CB 3.26Å; V428-K432 WeakPolarHBondContact O-CB 3.32Å; V428-K432 WeakPolarHBondContact O-CG 3.24Å; V428-K432 PolarHBondContact O-N 3.34Å
429A58Low50.5Low57 Ų57100.4 Ų100.447%0.47153%0.528SS..Hα-helixtrans-66.8-41.4173.400000111.7Q425 S426 K432 H433Q425-A429 WeakPolarHBondContact O-CB 3.31Å; Q425-A429 PolarHBondContact O-N 3.1Å; S426-A429 PolarHBondContact O-N 3.15Å; A429-K432 PolarHBondContact O-N 3.07Å; A429-H433 VanDerWaalsContact O-CB 3.31Å; A429-H433 WeakPolarHBondContact O-CB 3.27Å; A429-H433 PolarHBondContact O-N 2.98Å
430L54.5Low52.2Low65 Ų6596.3 Ų96.334%0.3451%0.513SS..Hα-helixtrans-66.2-44.2177.6-158.987.2000111.4S426 E427 H433 L434 A484 L487S426-L430 WeakPolarHBondContact O-CB 3.49Å; S426-L430 PolarHBondContact O-N 3.44Å; E427-L430 PolarHBondContact O-N 3.01Å; L430-H433 PolarHBondContact O-N 3.42Å; L430-L434 PolarHBondContact O-N 3.47Å; L430-A484 HydrophobicContact CD2-CB 3.88Å; L430-L487 HydrophobicContact CD2-CB 4.38Å; L430-L487 HydrophobicContact CD2-CD1 3.35Å; L430-L487 HydrophobicContact CD2-CG 4.49Å; L430-L487 HydrophobicContact CG-CD1 4.27Å
431F57.1Low53.6Low112 Ų11295.5 Ų95.549%0.49150%0.502SS..Hα-helixtrans-63.5-45174.4-171.1-95.9000111.8E427 H433 L434 F435E427-F431 WeakPolarHBondContact O-CB 3.45Å; E427-F431 PolarHBondContact O-N 3.07Å; F431-H433 VanDerWaalsContact C-N 3.31Å; F431-H433 PolarHBondContact O-N 2.97Å; F431-L434 PolarHBondContact O-N 3.45Å; F431-F435 HydrophobicContact CD1-CD2 4.17Å; F431-F435 AromaticContact CE1-CD2 3.53Å; F431-F435 HydrophobicContact CE1-CD2 3.53Å; F431-F435 AromaticContact CE1-CE2 3.75Å; F431-F435 HydrophobicContact CE1-CE2 3.75Å; F431-F435 HydrophobicContact CE1-CG 4.37Å; F431-F435 HydrophobicContact CE2-CD2 4.17Å; F431-F435 HydrophobicContact CE2-CE2 4.2Å; F431-F435 AromaticContact CZ-CD2 3.54Å; F431-F435 HydrophobicContact CZ-CD2 3.54Å; F431-F435 AromaticContact CZ-CE2 3.41Å; F431-F435 HydrophobicContact CZ-CE2 3.41Å; F431-F435 VanDerWaalsContact CZ-CE2 3.41Å; F431-F435 WeakPolarHBondContact O-CB 3.23Å; F431-F435 PolarHBondContact O-N 3.07Å
432K56.2Low54.6Low117 Ų11795 Ų9551%0.50948%0.483SS..Hα-helixtrans-60.9-39173.8-84.4178.7177.7173.30112.3V428 A429 R436V428-K432 HydrophobicContact CG1-CD 4.29Å; V428-K432 VanDerWaalsContact O-CB 3.26Å; V428-K432 WeakPolarHBondContact O-CB 3.32Å; V428-K432 WeakPolarHBondContact O-CG 3.24Å; V428-K432 PolarHBondContact O-N 3.34Å; A429-K432 PolarHBondContact O-N 3.07Å; K432-R436 WeakPolarHBondContact O-CB 3.45Å; K432-R436 WeakPolarHBondContact O-CG 3.42Å; K432-R436 PolarHBondContact O-N 2.9Å
433H62Low55.4Low115 Ų11591.1 Ų91.153%0.53246%0.46SS..Hα-helixtrans-65.5-46.5176.9-174.978.2000111A429 L430 F431 R436 K437A429-H433 VanDerWaalsContact O-CB 3.31Å; A429-H433 WeakPolarHBondContact O-CB 3.27Å; A429-H433 PolarHBondContact O-N 2.98Å; L430-H433 PolarHBondContact O-N 3.42Å; F431-H433 VanDerWaalsContact C-N 3.31Å; F431-H433 PolarHBondContact O-N 2.97Å; H433-R436 PolarHBondContact O-N 3.25Å; H433-K437 WeakPolarHBondContact O-CB 3.47Å; H433-K437 PolarHBondContact O-N 3.42Å
434L56.6Low56.2Low22 Ų2291.1 Ų91.112%0.11546%0.464CS..Hα-helixtrans-59.6-51.4175.2-170.689.4000111.7L430 F431 R436 K437 L438 L487 A491L430-L434 PolarHBondContact O-N 3.47Å; F431-L434 PolarHBondContact O-N 3.45Å; L434-R436 VanDerWaalsContact C-N 3.32Å; L434-R436 PolarHBondContact O-N 3.17Å; L434-K437 PolarHBondContact O-N 3.08Å; L434-K437 VanDerWaalsContact O-N 3.08Å; L434-L438 HydrophobicContact CD2-CD1 3.89Å; L434-L438 HydrophobicContact CG-CD1 3.9Å; L434-L438 HydrophobicContact CG-CG 4.33Å; L434-L438 WeakPolarHBondContact O-CG 3.32Å; L434-L438 PolarHBondContact O-N 2.96Å; L434-L487 HydrophobicContact CD1-CB 4.25Å; L434-L487 WeakPolarHBondContact CD1-O 3.38Å; L434-L487 HydrophobicContact CD2-CD2 3.71Å; L434-A491 HydrophobicContact CD1-CB 3.65Å
435F56.5Low56.6Low104 Ų10493.2 Ų93.246%0.45647%0.465SS..Hα-helixtrans-60.3-40.9-178.7-121.3-95.8000111.9F431 L439F431-F435 HydrophobicContact CD1-CD2 4.17Å; F431-F435 AromaticContact CE1-CD2 3.53Å; F431-F435 HydrophobicContact CE1-CD2 3.53Å; F431-F435 AromaticContact CE1-CE2 3.75Å; F431-F435 HydrophobicContact CE1-CE2 3.75Å; F431-F435 HydrophobicContact CE1-CG 4.37Å; F431-F435 HydrophobicContact CE2-CD2 4.17Å; F431-F435 HydrophobicContact CE2-CE2 4.2Å; F431-F435 AromaticContact CZ-CD2 3.54Å; F431-F435 HydrophobicContact CZ-CD2 3.54Å; F431-F435 AromaticContact CZ-CE2 3.41Å; F431-F435 HydrophobicContact CZ-CE2 3.41Å; F431-F435 VanDerWaalsContact CZ-CE2 3.41Å; F431-F435 WeakPolarHBondContact O-CB 3.23Å; F431-F435 PolarHBondContact O-N 3.07Å; F435-L439 HydrophobicContact CD1-CD1 3.79Å; F435-L439 HydrophobicContact CD1-CG 4.32Å; F435-L439 HydrophobicContact CE1-CD1 4.48Å; F435-L439 WeakPolarHBondContact O-CB 3.29Å; F435-L439 WeakPolarHBondContact O-CD1 3.19Å; F435-L439 WeakPolarHBondContact O-CG 3.09Å; F435-L439 PolarHBondContact O-N 2.87Å
436R62.1Low56.4Low177 Ų17795.7 Ų95.767%0.66847%0.474SS*.Hα-helixtrans-64.5-41173.8-78.7179.5-168152.52.4112.2K432 H433 L434 S440K432-R436 WeakPolarHBondContact O-CB 3.45Å; K432-R436 WeakPolarHBondContact O-CG 3.42Å; K432-R436 PolarHBondContact O-N 2.9Å; H433-R436 PolarHBondContact O-N 3.25Å; L434-R436 VanDerWaalsContact C-N 3.32Å; L434-R436 PolarHBondContact O-N 3.17Å; R436-S440 WeakPolarHBondContact O-CB 3.17Å; R436-S440 PolarHBondContact O-N 3.24Å; R436-S440 PolarHBondContact O-OG 3.33Å
437K60.5Low56.2Low74 Ų7493.7 Ų93.732%0.32246%0.464SS..Hα-helixtrans-67.7-41.4-179.6-154.7172.9-178.1-175.50111.1H433 L434 S440 R441H433-K437 WeakPolarHBondContact O-CB 3.47Å; H433-K437 PolarHBondContact O-N 3.42Å; L434-K437 PolarHBondContact O-N 3.08Å; L434-K437 VanDerWaalsContact O-N 3.08Å; K437-S440 PolarHBondContact O-OG 2.82Å; K437-R441 VanDerWaalsContact O-CG 3.29Å; K437-R441 WeakPolarHBondContact O-CG 3.41Å; K437-R441 PolarHBondContact O-N 3.04Å
438L58.8Low55.9Low37 Ų3796 Ų9619%0.19449%0.486CS..Hα-helixtrans-64-50.9172.7-68.4172.8000111.9L434 S440 R441 I442 F494L434-L438 HydrophobicContact CD2-CD1 3.89Å; L434-L438 HydrophobicContact CG-CD1 3.9Å; L434-L438 HydrophobicContact CG-CG 4.33Å; L434-L438 WeakPolarHBondContact O-CG 3.32Å; L434-L438 PolarHBondContact O-N 2.96Å; L438-S440 VanDerWaalsContact C-N 3.28Å; L438-S440 PolarHBondContact O-N 2.94Å; L438-R441 PolarHBondContact O-N 3.27Å; L438-I442 PolarHBondContact O-N 3.37Å; L438-I442 VanDerWaalsContact O-N 3.12Å; L438-F494 HydrophobicContact CD1-CD2 4.5Å; L438-F494 HydrophobicContact CD2-CB 3.24Å; L438-F494 HydrophobicContact CD2-CD1 4.04Å; L438-F494 HydrophobicContact CD2-CD2 3.43Å; L438-F494 VanDerWaalsContact CD2-CD2 3.43Å; L438-F494 HydrophobicContact CD2-CE2 4.27Å; L438-F494 HydrophobicContact CD2-CG 3.3Å
439L58.8Low55.6Low99 Ų9997 Ų9752%0.51849%0.492SS..Hα-helixtrans-64.4-30.5179.2-75.6168.4000113.1F435 R441F435-L439 HydrophobicContact CD1-CD1 3.79Å; F435-L439 HydrophobicContact CD1-CG 4.32Å; F435-L439 HydrophobicContact CE1-CD1 4.48Å; F435-L439 WeakPolarHBondContact O-CB 3.29Å; F435-L439 WeakPolarHBondContact O-CD1 3.19Å; F435-L439 WeakPolarHBondContact O-CG 3.09Å; F435-L439 PolarHBondContact O-N 2.87Å; L439-R441 PolarHBondContact O-N 3.38Å
440S63.6Low54.9Low85 Ų85100 Ų10059%0.59451%0.51SS*.THydrogen-bonded Turntrans-72.3-15.1175.670.20000113.8R436 K437 L438R436-S440 WeakPolarHBondContact O-CB 3.17Å; R436-S440 PolarHBondContact O-N 3.24Å; R436-S440 PolarHBondContact O-OG 3.33Å; K437-S440 PolarHBondContact O-OG 2.82Å; L438-S440 VanDerWaalsContact C-N 3.28Å; L438-S440 PolarHBondContact O-N 2.94Å
441R60.7Low54.3Low171 Ų171108.2 Ų108.265%0.64554%0.536SS*.THydrogen-bonded Turntrans-108-20.8-175.5-69.5-69.6-176.5167.30.7113.5K437 L438 L439 P443K437-R441 VanDerWaalsContact O-CG 3.29Å; K437-R441 WeakPolarHBondContact O-CG 3.41Å; K437-R441 PolarHBondContact O-N 3.04Å; L438-R441 PolarHBondContact O-N 3.27Å; L439-R441 PolarHBondContact O-N 3.38Å; R441-P443 WeakPolarHBondContact O-CD 3.17Å
442I58.1Low53.8Low55 Ų55110.3 Ų110.328%0.28255%0.548SS..SBendtrans-68.5118.4165.9-62.3165.1000106.8L438 V444 Y455 F499L438-I442 PolarHBondContact O-N 3.37Å; L438-I442 VanDerWaalsContact O-N 3.12Å; I442-V444 PolarHBondContact O-N 3.16Å; I442-Y455 HydrophobicContact CG2-CE2 4.47Å; I442-F499 HydrophobicContact CG1-CE1 4.36Å; I442-F499 HydrophobicContact CG1-CE2 4.17Å; I442-F499 HydrophobicContact CG1-CZ 3.93Å
443P56.2Low53.5Low49 Ų49109.9 Ų109.932%0.31855%0.55SS.*  trans-63.5102.1175.526-31.6000107.9R441 Q445 Y455 F499R441-P443 WeakPolarHBondContact O-CD 3.17Å; P443-Q445 HydrophobicContact CB-CG 4.48Å; P443-Q445 PolarHBondContact O-N 3Å; P443-Y455 HydrophobicContact CG-CE1 4.29Å; P443-Y455 PolarHBondContact O-OH 3.47Å; P443-F499 HydrophobicContact CG-CB 4.12Å
444V52.9Low52.9Low118 Ų118112.6 Ų112.672%0.71556%0.556SS**  trans-7668.7170.8-172.90000107.1I442 K446I442-V444 PolarHBondContact O-N 3.16Å; V444-K446 PolarHBondContact O-N 3.49Å
445Q49.9Very low52.8Low136 Ų136114.6 Ų114.664%0.63656%0.562SS**  trans-71.9127.6165.8-71.4-169.911.600107.5P443 G447P443-Q445 HydrophobicContact CB-CG 4.48Å; P443-Q445 PolarHBondContact O-N 3Å; Q445-G447 VanDerWaalsContact C-N 3.26Å; Q445-G447 PolarHBondContact O-N 2.93Å
446K46Very low52.5Low205 Ų205112.9 Ų112.989%0.89156%0.557SS**  trans-67.291.8168.8-73.6178.5178.1176.70107V444V444-K446 PolarHBondContact O-N 3.49Å
447G46.1Very low52.3Low31 Ų31106 Ų10632%0.3254%0.542SS..  trans-57.8147.1171.900000110.4Q445 T449Q445-G447 VanDerWaalsContact C-N 3.26Å; Q445-G447 PolarHBondContact O-N 2.93Å; G447-T449 PolarHBondContact O-N 3.36Å; G447-T449 VanDerWaalsContact O-N 3.14Å
448P46Very low52Low123 Ų123108.5 Ų108.580%0.79956%0.558SS**SBendtrans-72.5-3.5-174.329-32.8000113.5
449T46.1Very low52.1Low84 Ų84110.2 Ų110.252%0.51557%0.568SS.*SBendtrans-135.4124.1-172.144.90000111.9G447 R451G447-T449 PolarHBondContact O-N 3.36Å; G447-T449 VanDerWaalsContact O-N 3.14Å; T449-R451 PolarHBondContact O-N 2.83Å
450S43.2Very low52.1Low121 Ų121113.3 Ų113.385%0.84658%0.579SS**SBendtrans-68.6109.3176.2-63.70000111
451R43.3Very low52.3Low238 Ų238112 Ų11290%0.89857%0.565SS**SBend162.1-10.9113.7-87.8-179.2179.4170.80.8115.8T449T449-R451 PolarHBondContact O-N 2.83Å
452E47.1Very low52.9Low155 Ų155106.6 Ų106.672%0.72455%0.554SS**  trans-145.6112.9169-69.6-171.9177.100111.3R454E452-R454 IonicContact OE2-NH2 3.44Å
453L49.9Very low53.6Low109 Ų109111 Ų11157%0.57157%0.573SS**  trans-90.4105.8167.7-81152.3000108Y455L453-Y455 HydrophobicContact CB-CD2 4.32Å; L453-Y455 HydrophobicContact CB-CE2 3.72Å; L453-Y455 HydrophobicContact CD2-CE2 4.39Å; L453-Y455 HydrophobicContact CG-CE2 4.44Å
454R48.1Very low54.4Low171 Ų171118.4 Ų118.465%0.64559%0.594SS**  trans-89.9109.6169.5-77.1-173-167.4-177.34.8109.6E452 N502E452-R454 IonicContact OE2-NH2 3.44Å; R454-N502 HydrophobicContact CB-CB 4.28Å; R454-N502 PolarHBondContact O-N 3.28Å
455Y54.4Low55.1Low64 Ų64114.8 Ų114.825%0.25157%0.571SS.*EExtended strand (participates in β ladder)trans-94.3134.3166.6-63.7-84.1000109.1I442 P443 L453 F499I442-Y455 HydrophobicContact CG2-CE2 4.47Å; P443-Y455 HydrophobicContact CG-CE1 4.29Å; P443-Y455 PolarHBondContact O-OH 3.47Å; L453-Y455 HydrophobicContact CB-CD2 4.32Å; L453-Y455 HydrophobicContact CB-CE2 3.72Å; L453-Y455 HydrophobicContact CD2-CE2 4.39Å; L453-Y455 HydrophobicContact CG-CE2 4.44Å; Y455-F499 HydrophobicContact CD1-CB 4.03Å; Y455-F499 HydrophobicContact CG-CD1 4.47Å
456I51.8Low55.8Low69 Ų69111 Ų11135%0.35456%0.557SS.*EExtended strand (participates in β ladder)trans-93.6120.2161-62.8179.4000106.3V500 N502I456-V500 PolarHBondContact N-O 3.29Å; I456-V500 VanDerWaalsContact N-O 3.13Å; I456-V500 PolarHBondContact O-N 3.27Å; I456-N502 WeakPolarHBondContact CD1-OD1 3.34Å; I456-N502 VanDerWaalsContact CG1-OD1 3.25Å; I456-N502 WeakPolarHBondContact CG1-OD1 3.31Å
457G57.2Low57Low33 Ų33105.1 Ų105.134%0.3453%0.534SS..EExtended strand (participates in β ladder)trans-108.6123170.900000109.9L459G457-L459 PolarHBondContact O-N 2.98Å
458N53.9Low58.3Low125 Ų125105.6 Ų105.667%0.66853%0.528SS*.EExtended strand (participates in β ladder)trans-81.6113.2167.5-73.6-26.4000108.4V497N458-V497 WeakPolarHBondContact O-CA 3.38Å
459L61.2Low59.2Low74 Ų74101.1 Ų101.139%0.38750%0.497SS..  trans-98.2103.6-178-178.364.3000109.6G457 I461 A493 F494 V497G457-L459 PolarHBondContact O-N 2.98Å; L459-I461 HydrophobicContact CD1-CD1 4.36Å; L459-I461 HydrophobicContact CD1-CG1 4.2Å; L459-I461 HydrophobicContact CD2-CD1 3.39Å; L459-I461 HydrophobicContact CD2-CG1 4.11Å; L459-I461 HydrophobicContact CG-CD1 3.63Å; L459-I461 HydrophobicContact CG-CG1 3.77Å; L459-I461 PolarHBondContact O-N 2.88Å; L459-A493 VanDerWaalsContact CD1-C 3.46Å; L459-A493 HydrophobicContact CD1-CB 3.74Å; L459-A493 VanDerWaalsContact CD1-O 3.3Å; L459-A493 WeakPolarHBondContact CD1-O 3.17Å; L459-F494 HydrophobicContact CD1-CD1 4.31Å; L459-V497 HydrophobicContact CB-CG2 4.16Å; L459-V497 HydrophobicContact CD1-CG2 3.46Å; L459-V497 VanDerWaalsContact CD1-CG2 3.46Å; L459-V497 HydrophobicContact CG-CG2 4.42Å
460E57.5Low60.2Low164 Ų164103.2 Ų103.277%0.76650%0.501SS*.  trans-82.5104.4171.4-117.8-175.217300109.5
461I68.1Low61.4Low56 Ų56102 Ų10229%0.28748%0.482SS..  trans-110.9131.4171.6-64.6157.9000108.3L459 D465 V466 A493L459-I461 HydrophobicContact CD1-CD1 4.36Å; L459-I461 HydrophobicContact CD1-CG1 4.2Å; L459-I461 HydrophobicContact CD2-CD1 3.39Å; L459-I461 HydrophobicContact CD2-CG1 4.11Å; L459-I461 HydrophobicContact CG-CD1 3.63Å; L459-I461 HydrophobicContact CG-CG1 3.77Å; L459-I461 PolarHBondContact O-N 2.88Å; I461-D465 HydrophobicContact CG2-CB 3.68Å; I461-V466 HydrophobicContact CB-CG2 4.01Å; I461-V466 HydrophobicContact CG2-CG2 3.49Å; I461-V466 VanDerWaalsContact CG2-CG2 3.49Å; I461-A493 HydrophobicContact CD1-CB 4.4Å; I461-A493 HydrophobicContact CG1-CB 3.51Å
462S73.8Confident62.5Low59 Ų5991.3 Ų91.341%0.41344%0.443SS..  trans-60.4140.5172177.60000110.9R464 D465 V466S462-R464 PolarHBondContact O-N 2.99Å; S462-R464 PolarHBondContact OG-N 3.27Å; S462-D465 WeakPolarHBondContact CB-OD2 3.15Å; S462-D465 WeakPolarHBondContact O-CA 3.45Å; S462-D465 PolarHBondContact O-N 3.03Å; S462-V466 PolarHBondContact O-N 3.32Å
463H73.5Confident63.1Low148 Ų14891.2 Ų91.269%0.68545%0.446SS*.Hα-helixtrans-52.6-30.5174.1-170.4-84.3000112.8D465 I467H463-D465 VanDerWaalsContact C-N 3.34Å; H463-I467 VanDerWaalsContact CE1-CD1 3.43Å; H463-I467 WeakPolarHBondContact CE1-CD1 3.22Å; H463-I467 VanDerWaalsContact ND1-CD1 3.33Å; H463-I467 WeakPolarHBondContact ND1-CD1 3.14Å; H463-I467 VanDerWaalsContact O-CG1 3.29Å; H463-I467 WeakPolarHBondContact O-CG1 3.48Å; H463-I467 PolarHBondContact O-N 2.86Å
464R73Confident63.6Low204 Ų20488.3 Ų88.377%0.7744%0.435SS*.Hα-helixtrans-68.7-31.7174.9-64.1-175.4-171.8179.73113.1S462 F468S462-R464 PolarHBondContact O-N 2.99Å; S462-R464 PolarHBondContact OG-N 3.27Å; R464-F468 WeakPolarHBondContact O-CB 3.44Å; R464-F468 PolarHBondContact O-N 2.99Å
465D67.7Low64.5Low42 Ų4285 Ų8523%0.22542%0.422CS..Hα-helixtrans-84.5-31.8-179.1-63.8-34.3000111.5I461 S462 H463 F468 L469 K489I461-D465 HydrophobicContact CG2-CB 3.68Å; S462-D465 WeakPolarHBondContact CB-OD2 3.15Å; S462-D465 WeakPolarHBondContact O-CA 3.45Å; S462-D465 PolarHBondContact O-N 3.03Å; H463-D465 VanDerWaalsContact C-N 3.34Å; D465-F468 PolarHBondContact O-N 2.98Å; D465-L469 WeakPolarHBondContact O-CB 3.48Å; D465-L469 VanDerWaalsContact O-CG 3.22Å; D465-L469 WeakPolarHBondContact O-CG 3.13Å; D465-L469 PolarHBondContact O-N 2.95Å; D465-K489 VanDerWaalsContact OD1-CD 3.27Å; D465-K489 WeakPolarHBondContact OD1-CD 3.46Å; D465-K489 VanDerWaalsContact OD1-CE 3.27Å; D465-K489 WeakPolarHBondContact OD1-CE 3.15Å; D465-K489 IonicContact OD1-NZ 3.63Å; D465-K489 PolarHBondContact OD1-NZ 3.04Å
466V64.9Low64.4Low56 Ų5689 Ų8934%0.33944%0.441SS..Hα-helixtrans-62.7-49169.7-1790000110.7I461 S462 F468 L469 E470I461-V466 HydrophobicContact CB-CG2 4.01Å; I461-V466 HydrophobicContact CG2-CG2 3.49Å; I461-V466 VanDerWaalsContact CG2-CG2 3.49Å; S462-V466 PolarHBondContact O-N 3.32Å; V466-F468 VanDerWaalsContact C-N 3.29Å; V466-F468 PolarHBondContact O-N 2.89Å; V466-L469 PolarHBondContact O-N 3.26Å; V466-E470 HydrophobicContact CG1-CG 4.38Å; V466-E470 WeakPolarHBondContact O-CG 3.43Å; V466-E470 PolarHBondContact O-N 3.4Å
467I70.3Confident64.4Low81 Ų8190 Ų9042%0.41545%0.446SS..Hα-helixtrans-56.5-46.1175.7-71169.4000110.7H463 L469 E470 E471H463-I467 VanDerWaalsContact CE1-CD1 3.43Å; H463-I467 WeakPolarHBondContact CE1-CD1 3.22Å; H463-I467 VanDerWaalsContact ND1-CD1 3.33Å; H463-I467 WeakPolarHBondContact ND1-CD1 3.14Å; H463-I467 VanDerWaalsContact O-CG1 3.29Å; H463-I467 WeakPolarHBondContact O-CG1 3.48Å; H463-I467 PolarHBondContact O-N 2.86Å; I467-L469 PolarHBondContact O-N 3.1Å; I467-E470 PolarHBondContact O-N 2.88Å; I467-E471 VanDerWaalsContact O-CB 3.24Å; I467-E471 WeakPolarHBondContact O-CB 3.09Å; I467-E471 PolarHBondContact O-N 2.86Å
468F73.4Confident64.6Low41 Ų4192.2 Ų92.218%0.1845%0.449CS..Hα-helixtrans-62.5-41178.9176.5-105.9000112.8R464 D465 V466 E471 L472 D485 A486 K489R464-F468 WeakPolarHBondContact O-CB 3.44Å; R464-F468 PolarHBondContact O-N 2.99Å; D465-F468 PolarHBondContact O-N 2.98Å; V466-F468 VanDerWaalsContact C-N 3.29Å; V466-F468 PolarHBondContact O-N 2.89Å; F468-E471 PolarHBondContact O-N 3.41Å; F468-L472 HydrophobicContact CD1-CD1 3.66Å; F468-L472 HydrophobicContact CD2-CD1 4.14Å; F468-L472 HydrophobicContact CE1-CD1 3.22Å; F468-L472 HydrophobicContact CE2-CD1 3.73Å; F468-L472 HydrophobicContact CG-CD1 4.12Å; F468-L472 HydrophobicContact CZ-CD1 3.26Å; F468-L472 WeakPolarHBondContact O-CB 3.2Å; F468-L472 WeakPolarHBondContact O-CD1 3.24Å; F468-L472 PolarHBondContact O-N 3.25Å; F468-D485 HydrophobicContact CE1-CB 4.25Å; F468-D485 HydrophobicContact CZ-CB 3.8Å; F468-A486 HydrophobicContact CE1-CB 4.11Å; F468-K489 HydrophobicContact CD1-CD 3.38Å; F468-K489 HydrophobicContact CE1-CD 3.56Å; F468-K489 HydrophobicContact CG-CD 4.2Å
469L65.3Low65.1Low30 Ų3090.4 Ų90.416%0.15744%0.437CS..Hα-helixtrans-69.7-40.1177.6-72.1167.2000112.4D465 V466 I467 E471 L472 L473 A486 L490D465-L469 WeakPolarHBondContact O-CB 3.48Å; D465-L469 VanDerWaalsContact O-CG 3.22Å; D465-L469 WeakPolarHBondContact O-CG 3.13Å; D465-L469 PolarHBondContact O-N 2.95Å; V466-L469 PolarHBondContact O-N 3.26Å; I467-L469 PolarHBondContact O-N 3.1Å; L469-E471 VanDerWaalsContact C-N 3.32Å; L469-L472 PolarHBondContact O-N 3.03Å; L469-L473 WeakPolarHBondContact O-CB 3.34Å; L469-L473 VanDerWaalsContact O-CG 3.26Å; L469-L473 WeakPolarHBondContact O-CG 3.17Å; L469-L473 PolarHBondContact O-N 3.26Å; L469-A486 HydrophobicContact CD2-CB 4.15Å; L469-L490 HydrophobicContact CD1-CD2 3.94Å; L469-L490 HydrophobicContact CD1-CG 4.03Å; L469-L490 HydrophobicContact CD2-CD1 3.73Å; L469-L490 HydrophobicContact CD2-CG 3.87Å
470E65.9Low65Low127 Ų12790.3 Ų90.359%0.59344%0.443SS*.Hα-helixtrans-65.2-36.2173.4-73.1-175.5157.500111.9V466 I467 L473 S474V466-E470 HydrophobicContact CG1-CG 4.38Å; V466-E470 WeakPolarHBondContact O-CG 3.43Å; V466-E470 PolarHBondContact O-N 3.4Å; I467-E470 PolarHBondContact O-N 2.88Å; E470-L473 PolarHBondContact O-N 2.87Å; E470-S474 WeakPolarHBondContact O-CB 3.49Å; E470-S474 PolarHBondContact O-N 3.25Å; E470-S474 PolarHBondContact O-OG 2.85Å
471E69.1Low65.4Low97 Ų9789.3 Ų89.345%0.45344%0.436SS..Hα-helixtrans-69.4-34.6175.4-162.6-175.1157.700112.2I467 F468 L469 S474 R475I467-E471 VanDerWaalsContact O-CB 3.24Å; I467-E471 WeakPolarHBondContact O-CB 3.09Å; I467-E471 PolarHBondContact O-N 2.86Å; F468-E471 PolarHBondContact O-N 3.41Å; L469-E471 VanDerWaalsContact C-N 3.32Å; E471-S474 WeakPolarHBondContact CA-OG 3.48Å; E471-S474 PolarHBondContact O-OG 3.43Å; E471-R475 WeakPolarHBondContact O-CG 3.38Å; E471-R475 IonicContact OE1-NH2 2.7Å; E471-R475 PolarHBondContact OE1-NH2 3.43Å
472L65.4Low65.2Low13 Ų1388.1 Ų88.17%0.06843%0.43CS..Hα-helixtrans-70.9-40.4173.4-101.7141.8000113.2F468 L469 S474 R475 I478 D482 A486F468-L472 HydrophobicContact CD1-CD1 3.66Å; F468-L472 HydrophobicContact CD2-CD1 4.14Å; F468-L472 HydrophobicContact CE1-CD1 3.22Å; F468-L472 HydrophobicContact CE2-CD1 3.73Å; F468-L472 HydrophobicContact CG-CD1 4.12Å; F468-L472 HydrophobicContact CZ-CD1 3.26Å; F468-L472 WeakPolarHBondContact O-CB 3.2Å; F468-L472 WeakPolarHBondContact O-CD1 3.24Å; F468-L472 PolarHBondContact O-N 3.25Å; L469-L472 PolarHBondContact O-N 3.03Å; L472-S474 VanDerWaalsContact C-N 3.27Å; L472-S474 PolarHBondContact O-N 3.48Å; L472-R475 PolarHBondContact O-N 3Å; L472-I478 HydrophobicContact CD2-CG2 3.85Å; L472-D482 HydrophobicContact CD2-CB 3.92Å; L472-A486 HydrophobicContact CD1-CB 3.54Å; L472-A486 HydrophobicContact CD2-CB 4.27Å; L472-A486 HydrophobicContact CG-CB 4.47Å
473L59.6Low64.9Low153 Ų15387.8 Ų87.880%0.80142%0.423SS*.Hα-helixtrans-71.5-20.1179.6-72.6168.4000113.3L469 E470L469-L473 WeakPolarHBondContact O-CB 3.34Å; L469-L473 VanDerWaalsContact O-CG 3.26Å; L469-L473 WeakPolarHBondContact O-CG 3.17Å; L469-L473 PolarHBondContact O-N 3.26Å; E470-L473 PolarHBondContact O-N 2.87Å
474S62.2Low64.5Low47 Ų4782.2 Ų82.233%0.32940%0.403SS..THydrogen-bonded Turntrans-89.8-5.8178.555.50000114.2E470 E471 L472E470-S474 WeakPolarHBondContact O-CB 3.49Å; E470-S474 PolarHBondContact O-N 3.25Å; E470-S474 PolarHBondContact O-OG 2.85Å; E471-S474 WeakPolarHBondContact CA-OG 3.48Å; E471-S474 PolarHBondContact O-OG 3.43Å; L472-S474 VanDerWaalsContact C-N 3.27Å; L472-S474 PolarHBondContact O-N 3.48Å
475R66Low64.3Low101 Ų10176.1 Ų76.138%0.38139%0.386SS..  trans-85.6133.4177.1-74178.3-175.1-168.53.4112.1E471 L472 I477 D482E471-R475 WeakPolarHBondContact O-CG 3.38Å; E471-R475 IonicContact OE1-NH2 2.7Å; E471-R475 PolarHBondContact OE1-NH2 3.43Å; L472-R475 PolarHBondContact O-N 3Å; R475-I477 VanDerWaalsContact C-N 3.32Å; R475-I477 PolarHBondContact O-N 3.45Å; R475-D482 IonicContact NH1-OD2 3.21Å; R475-D482 PolarHBondContact NH1-OD2 3.38Å
476K51.9Low64.4Low149 Ų14974.5 Ų74.565%0.64838%0.378SS*.SBendtrans-70.3-25.2176.2-101.8-177.5179.9177.30114L395L395-K476 HydrophobicContact CD2-CB 4.08Å; L395-K476 HydrophobicContact CD2-CD 3.84Å; L395-K476 HydrophobicContact CD2-CG 3.86Å
477I52.6Low64.7Low89 Ų8973.2 Ų73.246%0.45637%0.369SS..SBendtrans-140.5125.5-177.7-59.9-167.8000106.8L402 R475L402-I477 HydrophobicContact CB-CD1 4.36Å; L402-I477 HydrophobicContact CD1-CB 3.49Å; L402-I477 VanDerWaalsContact CD1-CB 3.49Å; L402-I477 HydrophobicContact CD1-CD1 3.39Å; L402-I477 HydrophobicContact CD1-CG1 3.74Å; L402-I477 HydrophobicContact CD1-CG2 3.76Å; L402-I477 HydrophobicContact CD2-CB 4.49Å; L402-I477 HydrophobicContact CD2-CD1 3.24Å; L402-I477 HydrophobicContact CD2-CG1 4.33Å; L402-I477 HydrophobicContact CD2-CG2 4.06Å; L402-I477 HydrophobicContact CG-CD1 3.73Å; L402-I477 HydrophobicContact CG-CG2 4.42Å; R475-I477 VanDerWaalsContact C-N 3.32Å; R475-I477 PolarHBondContact O-N 3.45Å
478I62.3Low64.8Low81 Ų8175.4 Ų75.442%0.41538%0.376SS..  trans-110.1125.9-172.8-58.9170.4000107.6L472 L483L472-I478 HydrophobicContact CD2-CG2 3.85Å; I478-L483 HydrophobicContact CG2-CB 3.99Å; I478-L483 HydrophobicContact CG2-CD1 4.42Å
479E64.2Low64.7Low86 Ų8676.4 Ų76.440%0.40238%0.38SS..  trans-76.5144.7173.9-64-172.7172.100110.3R405 K481 D482 L483R405-E479 IonicContact CZ-OE1 3.94Å; R405-E479 IonicContact NH1-OE1 3.73Å; R405-E479 PolarHBondContact NH1-OE1 3.3Å; R405-E479 IonicContact NH2-OE1 3.72Å; E479-K481 PolarHBondContact O-N 2.76Å; E479-K481 VanDerWaalsContact O-N 3.07Å; E479-D482 PolarHBondContact O-N 3.13Å; E479-L483 PolarHBondContact O-N 3.01Å
480S57.4Low65Low73 Ų7377.3 Ų77.351%0.5139%0.385SS..Hα-helixtrans-59.3-24.2-176.557.10000114A484S480-A484 WeakPolarHBondContact O-CB 3.28Å; S480-A484 PolarHBondContact O-N 3.09Å; S480-A484 VanDerWaalsContact O-N 3.15Å
481K66Low65.1Low143 Ų14371.7 Ų71.762%0.62236%0.36SS*.Hα-helixtrans-73.2-46.8174.4-175.4-174.2173.1-169.70112.4E479 L483 A484 D485E479-K481 PolarHBondContact O-N 2.76Å; E479-K481 VanDerWaalsContact O-N 3.07Å; K481-L483 VanDerWaalsContact C-N 3.27Å; K481-L483 PolarHBondContact O-N 2.84Å; K481-A484 WeakPolarHBondContact O-CB 3.4Å; K481-A484 PolarHBondContact O-N 3.49Å; K481-A484 VanDerWaalsContact O-N 3.1Å; K481-D485 PolarHBondContact O-N 2.82Å
482D65.6Low65.1Low30 Ų3070.8 Ų70.816%0.1636%0.358CS..Hα-helixtrans-66.9-34.9179.3-64.7-17.8000110.6L472 R475 E479 D485 A486L472-D482 HydrophobicContact CD2-CB 3.92Å; R475-D482 IonicContact NH1-OD2 3.21Å; R475-D482 PolarHBondContact NH1-OD2 3.38Å; E479-D482 PolarHBondContact O-N 3.13Å; D482-D485 PolarHBondContact O-N 3Å; D482-A486 WeakPolarHBondContact O-CB 3.47Å; D482-A486 PolarHBondContact O-N 3.35Å
483L67Low65.1Low52 Ų5270.6 Ų70.627%0.27236%0.358SS..Hα-helixtrans-62.6-43.1170.8-171.867.9000111.4I478 E479 K481 A486 L487I478-L483 HydrophobicContact CG2-CB 3.99Å; I478-L483 HydrophobicContact CG2-CD1 4.42Å; E479-L483 PolarHBondContact O-N 3.01Å; K481-L483 VanDerWaalsContact C-N 3.27Å; K481-L483 PolarHBondContact O-N 2.84Å; L483-A486 PolarHBondContact O-N 3.16Å; L483-L487 HydrophobicContact CD1-CD1 4.27Å; L483-L487 HydrophobicContact CG-CD1 3.83Å; L483-L487 WeakPolarHBondContact O-CB 3.44Å; L483-L487 VanDerWaalsContact O-CD1 3.31Å; L483-L487 WeakPolarHBondContact O-CD1 3.32Å; L483-L487 WeakPolarHBondContact O-CG 3.31Å; L483-L487 PolarHBondContact O-N 3.27Å
484A64.4Low65.2Low32 Ų3266.8 Ų66.826%0.26434%0.336SS..Hα-helixtrans-64.3-41.4177.500000112.8L430 S480 K481 L487 F488L430-A484 HydrophobicContact CD2-CB 3.88Å; S480-A484 WeakPolarHBondContact O-CB 3.28Å; S480-A484 PolarHBondContact O-N 3.09Å; S480-A484 VanDerWaalsContact O-N 3.15Å; K481-A484 WeakPolarHBondContact O-CB 3.4Å; K481-A484 PolarHBondContact O-N 3.49Å; K481-A484 VanDerWaalsContact O-N 3.1Å; A484-L487 PolarHBondContact O-N 3.23Å; A484-F488 WeakPolarHBondContact O-CB 3.21Å; A484-F488 PolarHBondContact O-N 2.81Å
485D69.8Low65.1Low76 Ų7668 Ų6841%0.40634%0.341SS..Hα-helixtrans-68-38.3176.6-77.5-18.1000112.1F468 K481 D482 F488 K489F468-D485 HydrophobicContact CE1-CB 4.25Å; F468-D485 HydrophobicContact CZ-CB 3.8Å; K481-D485 PolarHBondContact O-N 2.82Å; D482-D485 PolarHBondContact O-N 3Å; D485-F488 PolarHBondContact O-N 2.84Å; D485-K489 WeakPolarHBondContact O-CG 2.98Å; D485-K489 PolarHBondContact O-N 3.25Å
486A69.4Low64.6Low8 Ų865.7 Ų65.77%0.06634%0.344CS..Hα-helixtrans-61.1-46.1173.300000112.1F468 L469 L472 D482 L483 F488 K489 L490F468-A486 HydrophobicContact CE1-CB 4.11Å; L469-A486 HydrophobicContact CD2-CB 4.15Å; L472-A486 HydrophobicContact CD1-CB 3.54Å; L472-A486 HydrophobicContact CD2-CB 4.27Å; L472-A486 HydrophobicContact CG-CB 4.47Å; D482-A486 WeakPolarHBondContact O-CB 3.47Å; D482-A486 PolarHBondContact O-N 3.35Å; L483-A486 PolarHBondContact O-N 3.16Å; A486-F488 VanDerWaalsContact C-N 3.33Å; A486-K489 PolarHBondContact O-N 2.76Å; A486-L490 WeakPolarHBondContact O-CB 3.35Å; A486-L490 PolarHBondContact O-N 2.75Å
487L70.2Confident64.9Low29 Ų2959.4 Ų59.415%0.15232%0.318CS..Hα-helixtrans-68.2-35.5-179.8-68.8167.1000111L430 L434 L483 A484 A491L430-L487 HydrophobicContact CD2-CB 4.38Å; L430-L487 HydrophobicContact CD2-CD1 3.35Å; L430-L487 HydrophobicContact CD2-CG 4.49Å; L430-L487 HydrophobicContact CG-CD1 4.27Å; L434-L487 HydrophobicContact CD1-CB 4.25Å; L434-L487 WeakPolarHBondContact CD1-O 3.38Å; L434-L487 HydrophobicContact CD2-CD2 3.71Å; L483-L487 HydrophobicContact CD1-CD1 4.27Å; L483-L487 HydrophobicContact CG-CD1 3.83Å; L483-L487 WeakPolarHBondContact O-CB 3.44Å; L483-L487 VanDerWaalsContact O-CD1 3.31Å; L483-L487 WeakPolarHBondContact O-CD1 3.32Å; L483-L487 WeakPolarHBondContact O-CG 3.31Å; L483-L487 PolarHBondContact O-N 3.27Å; A484-L487 PolarHBondContact O-N 3.23Å; L487-A491 VanDerWaalsContact O-CB 3.28Å; L487-A491 WeakPolarHBondContact O-CB 3.46Å; L487-A491 PolarHBondContact O-N 2.85Å
488F73.1Confident65.1Low126 Ų12661.5 Ų61.555%0.55333%0.33SS*.Hα-helixtrans-69.1-40.6176-148.8-88.1000112.4A484 D485 A486 A491 N492A484-F488 WeakPolarHBondContact O-CB 3.21Å; A484-F488 PolarHBondContact O-N 2.81Å; D485-F488 PolarHBondContact O-N 2.84Å; A486-F488 VanDerWaalsContact C-N 3.33Å; F488-A491 WeakPolarHBondContact O-CB 3.42Å; F488-A491 PolarHBondContact O-N 3.29Å; F488-N492 VanDerWaalsContact O-CG 3.28Å; F488-N492 PolarHBondContact O-N 3.04Å
489K72.3Confident64.8Low63 Ų6360.2 Ų60.227%0.27432%0.321SS..Hα-helixtrans-67.8-41.8175.8-74.5172.9171.8-142.30112.7D465 F468 D485 A486 N492 A493D465-K489 VanDerWaalsContact OD1-CD 3.27Å; D465-K489 WeakPolarHBondContact OD1-CD 3.46Å; D465-K489 VanDerWaalsContact OD1-CE 3.27Å; D465-K489 WeakPolarHBondContact OD1-CE 3.15Å; D465-K489 IonicContact OD1-NZ 3.63Å; D465-K489 PolarHBondContact OD1-NZ 3.04Å; F468-K489 HydrophobicContact CD1-CD 3.38Å; F468-K489 HydrophobicContact CE1-CD 3.56Å; F468-K489 HydrophobicContact CG-CD 4.2Å; D485-K489 WeakPolarHBondContact O-CG 2.98Å; D485-K489 PolarHBondContact O-N 3.25Å; A486-K489 PolarHBondContact O-N 2.76Å; K489-N492 PolarHBondContact O-N 2.75Å; K489-A493 PolarHBondContact O-N 3.4Å
490L71.1Confident64.4Low49 Ų4958.4 Ų58.426%0.25732%0.316SS..Hα-helixtrans-61.7-44.4171.2-83162.9000111.1L469 A486 N492 A493 F494L469-L490 HydrophobicContact CD1-CD2 3.94Å; L469-L490 HydrophobicContact CD1-CG 4.03Å; L469-L490 HydrophobicContact CD2-CD1 3.73Å; L469-L490 HydrophobicContact CD2-CG 3.87Å; A486-L490 WeakPolarHBondContact O-CB 3.35Å; A486-L490 PolarHBondContact O-N 2.75Å; L490-N492 VanDerWaalsContact C-N 3.27Å; L490-N492 PolarHBondContact O-N 3.08Å; L490-A493 PolarHBondContact O-N 3.33Å; L490-F494 HydrophobicContact CD2-CE2 4.16Å; L490-F494 WeakPolarHBondContact O-CD2 3.44Å; L490-F494 PolarHBondContact O-N 3.34Å
491A67Low64.3Low8 Ų857.3 Ų57.37%0.06631%0.307CS..Hα-helixtrans-56.7-42.5175.400000112L434 L487 F488 F494 T495L434-A491 HydrophobicContact CD1-CB 3.65Å; L487-A491 VanDerWaalsContact O-CB 3.28Å; L487-A491 WeakPolarHBondContact O-CB 3.46Å; L487-A491 PolarHBondContact O-N 2.85Å; F488-A491 WeakPolarHBondContact O-CB 3.42Å; F488-A491 PolarHBondContact O-N 3.29Å; A491-F494 PolarHBondContact O-N 3.48Å; A491-T495 WeakPolarHBondContact O-CG2 3.32Å; A491-T495 PolarHBondContact O-N 3.25Å; A491-T495 PolarHBondContact O-OG1 3.35Å
492N69.3Low63.6Low78 Ų7853.6 Ų53.642%0.41729%0.294SS..Hα-helixtrans-69.7-36.9178.2-71.1-13.3000112.5F488 K489 L490 T495F488-N492 VanDerWaalsContact O-CG 3.28Å; F488-N492 PolarHBondContact O-N 3.04Å; K489-N492 PolarHBondContact O-N 2.75Å; L490-N492 VanDerWaalsContact C-N 3.27Å; L490-N492 PolarHBondContact O-N 3.08Å; N492-T495 VanDerWaalsContact C-OG1 3.28Å; N492-T495 VanDerWaalsContact CA-OG1 3.26Å; N492-T495 WeakPolarHBondContact CA-OG1 3.39Å; N492-T495 PolarHBondContact O-N 3.46Å; N492-T495 PolarHBondContact O-OG1 2.69Å
493A65.6Low63Low9 Ų959.5 Ų59.57%0.07433%0.326CS..Hα-helixtrans-64.7-41.5173.400000111.6L459 I461 K489 L490 T495 A496L459-A493 VanDerWaalsContact CD1-C 3.46Å; L459-A493 HydrophobicContact CD1-CB 3.74Å; L459-A493 VanDerWaalsContact CD1-O 3.3Å; L459-A493 WeakPolarHBondContact CD1-O 3.17Å; I461-A493 HydrophobicContact CD1-CB 4.4Å; I461-A493 HydrophobicContact CG1-CB 3.51Å; K489-A493 PolarHBondContact O-N 3.4Å; L490-A493 PolarHBondContact O-N 3.33Å; A493-T495 VanDerWaalsContact C-N 3.29Å; A493-T495 PolarHBondContact O-N 2.79Å; A493-A496 PolarHBondContact O-N 2.92Å; A493-A496 VanDerWaalsContact O-N 3.12Å
494F63Low62.2Low73 Ų7362.9 Ų62.932%0.3234%0.34SS..Hα-helixtrans-68.7-24.4174.8-79-69.2000113.7L438 L459 L490 A491 A496 V497L438-F494 HydrophobicContact CD1-CD2 4.5Å; L438-F494 HydrophobicContact CD2-CB 3.24Å; L438-F494 HydrophobicContact CD2-CD1 4.04Å; L438-F494 HydrophobicContact CD2-CD2 3.43Å; L438-F494 VanDerWaalsContact CD2-CD2 3.43Å; L438-F494 HydrophobicContact CD2-CE2 4.27Å; L438-F494 HydrophobicContact CD2-CG 3.3Å; L459-F494 HydrophobicContact CD1-CD1 4.31Å; L490-F494 HydrophobicContact CD2-CE2 4.16Å; L490-F494 WeakPolarHBondContact O-CD2 3.44Å; L490-F494 PolarHBondContact O-N 3.34Å; A491-F494 PolarHBondContact O-N 3.48Å; F494-A496 PolarHBondContact O-N 3.36Å; F494-V497 HydrophobicContact CD1-CG2 4.24Å; F494-V497 PolarHBondContact O-N 3.49Å
495T58.1Low61.4Low74 Ų7466.1 Ų66.145%0.45435%0.353SS..THydrogen-bonded Turntrans-72.3-13.2171.748.80000113.9A491 N492 A493A491-T495 WeakPolarHBondContact O-CG2 3.32Å; A491-T495 PolarHBondContact O-N 3.25Å; A491-T495 PolarHBondContact O-OG1 3.35Å; N492-T495 VanDerWaalsContact C-OG1 3.28Å; N492-T495 VanDerWaalsContact CA-OG1 3.26Å; N492-T495 WeakPolarHBondContact CA-OG1 3.39Å; N492-T495 PolarHBondContact O-N 3.46Å; N492-T495 PolarHBondContact O-OG1 2.69Å; A493-T495 VanDerWaalsContact C-N 3.29Å; A493-T495 PolarHBondContact O-N 2.79Å
496A57.6Low60.4Low52 Ų5272 Ų7243%0.4337%0.374SS..THydrogen-bonded Turntrans-97.18.4175.500000113.3A493 F494A493-A496 PolarHBondContact O-N 2.92Å; A493-A496 VanDerWaalsContact O-N 3.12Å; F494-A496 PolarHBondContact O-N 3.36Å
497V58.1Low59.4Low17 Ų1780.5 Ų80.510%0.10341%0.413CS..  trans-91.1114.9-177.5-179.70000111.1N458 L459 F494 F499N458-V497 WeakPolarHBondContact O-CA 3.38Å; L459-V497 HydrophobicContact CB-CG2 4.16Å; L459-V497 HydrophobicContact CD1-CG2 3.46Å; L459-V497 VanDerWaalsContact CD1-CG2 3.46Å; L459-V497 HydrophobicContact CG-CG2 4.42Å; F494-V497 HydrophobicContact CD1-CG2 4.24Å; F494-V497 PolarHBondContact O-N 3.49Å; V497-F499 HydrophobicContact CB-CD2 4.42Å; V497-F499 HydrophobicContact CB-CE2 3.91Å; V497-F499 HydrophobicContact CB-CZ 4.07Å; V497-F499 HydrophobicContact CG1-CD1 4.01Å; V497-F499 HydrophobicContact CG1-CD2 3.96Å; V497-F499 HydrophobicContact CG1-CE1 3.77Å; V497-F499 HydrophobicContact CG1-CE2 3.71Å; V497-F499 HydrophobicContact CG1-CG 4.11Å; V497-F499 HydrophobicContact CG1-CZ 3.61Å; V497-F499 PolarHBondContact O-N 3.23Å
498D55.7Low58Low132 Ų13284.5 Ų84.571%0.70644%0.439SS*.EExtended strand (participates in β ladder)trans-77.4114.2161.4-74.3-32.5000108.9
499F57.2Low56.6Low54 Ų5484.1 Ų84.124%0.23745%0.452CS..EExtended strand (participates in β ladder)trans-89.6108.4174.7-68.3-82.5000109.4I442 P443 Y455 V497I442-F499 HydrophobicContact CG1-CE1 4.36Å; I442-F499 HydrophobicContact CG1-CE2 4.17Å; I442-F499 HydrophobicContact CG1-CZ 3.93Å; P443-F499 HydrophobicContact CG-CB 4.12Å; Y455-F499 HydrophobicContact CD1-CB 4.03Å; Y455-F499 HydrophobicContact CG-CD1 4.47Å; V497-F499 HydrophobicContact CB-CD2 4.42Å; V497-F499 HydrophobicContact CB-CE2 3.91Å; V497-F499 HydrophobicContact CB-CZ 4.07Å; V497-F499 HydrophobicContact CG1-CD1 4.01Å; V497-F499 HydrophobicContact CG1-CD2 3.96Å; V497-F499 HydrophobicContact CG1-CE1 3.77Å; V497-F499 HydrophobicContact CG1-CE2 3.71Å; V497-F499 HydrophobicContact CG1-CG 4.11Å; V497-F499 HydrophobicContact CG1-CZ 3.61Å; V497-F499 PolarHBondContact O-N 3.23Å
500V54.3Low55.3Low49 Ų4991.9 Ų91.930%0.29748%0.479SS..EExtended strand (participates in β ladder)trans-105.6134.8178.8-171.70000109.7I456 E504 L505I456-V500 PolarHBondContact N-O 3.29Å; I456-V500 VanDerWaalsContact N-O 3.13Å; I456-V500 PolarHBondContact O-N 3.27Å; V500-E504 HydrophobicContact CG1-CB 4.23Å; V500-L505 HydrophobicContact CB-CD1 3.93Å; V500-L505 HydrophobicContact CG1-CD1 3.69Å
501P56.5Low54.1Low49 Ų4995.3 Ų95.332%0.31850%0.497SS..EExtended strand (participates in β ladder)trans-60.6134.9171.7-1729.2000110.4D503 E504P501-D503 PolarHBondContact O-N 3.37Å; P501-E504 HydrophobicContact CB-CG 4.5Å; P501-E504 HydrophobicContact CG-CG 4.44Å; P501-E504 PolarHBondContact O-N 2.89Å
502N50.4Low53.2Low65 Ų65101.1 Ų101.135%0.34853%0.534SS..THydrogen-bonded Turntrans-55-23.6-176.7-129.31.8000114.3R454 I456R454-N502 HydrophobicContact CB-CB 4.28Å; R454-N502 PolarHBondContact O-N 3.28Å; I456-N502 WeakPolarHBondContact CD1-OD1 3.34Å; I456-N502 VanDerWaalsContact CG1-OD1 3.25Å; I456-N502 WeakPolarHBondContact CG1-OD1 3.31Å
503D52.5Low52.6Low154 Ų154100.3 Ų100.382%0.82455%0.545SS*.THydrogen-bonded Turntrans-84.4-19.5-177.6-62.5-33.3000113.6P501P501-D503 PolarHBondContact O-N 3.37Å
504E51.1Low52.1Low123 Ų123106.7 Ų106.758%0.57557%0.573SS**G310 helixtrans-84.1-11.5179.9-72.1-162.6154.700114V500 P501 K506 T508V500-E504 HydrophobicContact CG1-CB 4.23Å; P501-E504 HydrophobicContact CB-CG 4.5Å; P501-E504 HydrophobicContact CG-CG 4.44Å; P501-E504 PolarHBondContact O-N 2.89Å; E504-K506 VanDerWaalsContact C-N 3.34Å; E504-K506 PolarHBondContact O-N 3.45Å; E504-T508 PolarHBondContact O-OG1 2.88Å; E504-T508 VanDerWaalsContact O-OG1 3.1Å
505L48.3Very low51.6Low101 Ų101106.1 Ų106.153%0.52958%0.582SS.*G310 helixtrans-81.9-4.6-176.9-112.9112.2000114.7V500V500-L505 HydrophobicContact CB-CD1 3.93Å; V500-L505 HydrophobicContact CG1-CD1 3.69Å
506K47.8Very low51.5Low198 Ų198106.2 Ų106.286%0.86159%0.59SS**G310 helixtrans-91.8-11.8-179.8-93.9-178.5176.6177.60115.2E504E504-K506 VanDerWaalsContact C-N 3.34Å; E504-K506 PolarHBondContact O-N 3.45Å
507E47.6Very low51.4Low188 Ų188109.6 Ų109.688%0.87960%0.599SS**THydrogen-bonded Turntrans-119.3-5.5-176.1-81.5-169.7149.500116.1
508T42.5Very low51.3Low113 Ų113114.8 Ų114.869%0.69363%0.626SS**  trans-10617.8-16545.70000116.4E504 R510E504-T508 PolarHBondContact O-OG1 2.88Å; E504-T508 VanDerWaalsContact O-OG1 3.1Å; T508-R510 PolarHBondContact O-N 3.38Å
509S42.8Very low51.5Low118 Ų118111.3 Ų111.383%0.82562%0.615SS**  trans-88.620.3-176.460.30000116.3
510R44.3Very low51.8Low225 Ų225111.3 Ų111.385%0.84962%0.622SS**SBendtrans-120.6105178.6-76.9-172.6-179.61761.7113.1T508T508-R510 PolarHBondContact O-N 3.38Å
511L46Very low52.3Low121 Ų121112.8 Ų112.863%0.63463%0.628SS**  trans79.792.5161-70.599.6000119.2G513L511-G513 VanDerWaalsContact C-N 3.32Å; L511-G513 PolarHBondContact O-N 3.39Å
512P49.2Very low53Low130 Ų130114 Ų11484%0.84464%0.636SS**THydrogen-bonded Turntrans-80.31.7177.331.7-33000115.3
513G56.9Low54.2Low62 Ų62118.7 Ų118.764%0.63965%0.65SS**THydrogen-bonded Turntrans-89.8-23.5-174.200000116.1L511L511-G513 VanDerWaalsContact C-N 3.32Å; L511-G513 PolarHBondContact O-N 3.39Å
514Q54.6Low55.2Low143 Ų143116.3 Ų116.367%0.66864%0.636SS**SBendtrans-95.3-17.1-174.8-65.8-178.3-5.900113.2A516 L518Q514-A516 PolarHBondContact O-N 3.21Å; Q514-L518 PolarHBondContact O-N 3.41Å
515A52.4Low56.4Low61 Ų61115.2 Ų115.250%0.50464%0.635SS.*Hα-helixtrans-68.5-31.2-175.300000114L518 A519A515-L518 PolarHBondContact O-N 3.01Å; A515-A519 WeakPolarHBondContact O-CB 3.05Å; A515-A519 PolarHBondContact O-N 3.28Å
516A55.5Low57.9Low75 Ų75114.7 Ų114.762%0.6263%0.632SS**Hα-helixtrans-70.1-35.2-179.400000113.1Q514Q514-A516 PolarHBondContact O-N 3.21Å
517I56.4Low59.5Low123 Ų123110.8 Ų110.863%0.63162%0.619SS**Hα-helixtrans-74.6-38.5176.9-58.4174.3000109.7S520I517-S520 PolarHBondContact O-OG 3.34Å; I517-S520 VanDerWaalsContact O-OG 3.1Å
518L55.9Low61.2Low126 Ų126105.9 Ų105.966%0.6660%0.602SS**Hα-helixtrans-68.3-32.3175.2-122.281.4000113.7Q514 A515 S520 L521 P522Q514-L518 PolarHBondContact O-N 3.41Å; A515-L518 PolarHBondContact O-N 3.01Å; L518-S520 VanDerWaalsContact C-N 3.35Å; L518-S520 PolarHBondContact O-N 3.3Å; L518-L521 HydrophobicContact CD1-CD1 4.38Å; L518-P522 VanDerWaalsContact O-CD 3.26Å; L518-P522 WeakPolarHBondContact O-CD 3.48Å
519A59.6Low63Low59 Ų59105 Ų10549%0.48859%0.592SS.*Hα-helixtrans-73.9-21.2-179.400000114.1A515 P522 Y523A515-A519 WeakPolarHBondContact O-CB 3.05Å; A515-A519 PolarHBondContact O-N 3.28Å; A519-P522 WeakPolarHBondContact O-CD 3.48Å; A519-P522 WeakPolarHBondContact O-CG 3.26Å; A519-Y523 WeakPolarHBondContact O-CD2 3.45Å
520S63.2Low65Low55 Ų55104.2 Ų104.239%0.38558%0.578SS.*Hα-helixtrans-90.8-22.3178.359.50000113.9I517 L518 Y523 L524I517-S520 PolarHBondContact O-OG 3.34Å; I517-S520 VanDerWaalsContact O-OG 3.1Å; L518-S520 VanDerWaalsContact C-N 3.35Å; L518-S520 PolarHBondContact O-N 3.3Å; S520-Y523 PolarHBondContact O-N 3.4Å; S520-L524 PolarHBondContact O-N 3.2Å
521L64.9Low66.8Low79 Ų7996.2 Ų96.241%0.41456%0.56SS.*Hα-helixtrans-55-41.8175.4-85.4159.9000115L518 Y523 L524 N525L518-L521 HydrophobicContact CD1-CD1 4.38Å; L521-Y523 VanDerWaalsContact C-N 3.34Å; L521-Y523 PolarHBondContact O-N 3.47Å; L521-L524 PolarHBondContact O-N 3.31Å; L521-N525 WeakPolarHBondContact O-CB 3.35Å; L521-N525 VanDerWaalsContact O-CG 3.3Å; L521-N525 PolarHBondContact O-N 2.72Å; L521-N525 PolarHBondContact O-ND2 3.09Å
522P71Confident68.6Low74 Ų7494 Ų9448%0.48155%0.551SS.*Hα-helixtrans-66.4-33.2177.723.6-33.2000113.2L518 A519 N525 L526L518-P522 VanDerWaalsContact O-CD 3.26Å; L518-P522 WeakPolarHBondContact O-CD 3.48Å; A519-P522 WeakPolarHBondContact O-CD 3.48Å; A519-P522 WeakPolarHBondContact O-CG 3.26Å; P522-N525 PolarHBondContact O-N 3.4Å; P522-L526 WeakPolarHBondContact O-CB 3.26Å; P522-L526 PolarHBondContact O-N 2.9Å
523Y75.3Confident70.1Confident164 Ų16492.2 Ų92.264%0.64353%0.534SS*.Hα-helixtrans-72.6-39.8177.8-66.2-79.2000112.1A519 S520 L521 L526 I527A519-Y523 WeakPolarHBondContact O-CD2 3.45Å; S520-Y523 PolarHBondContact O-N 3.4Å; L521-Y523 VanDerWaalsContact C-N 3.34Å; L521-Y523 PolarHBondContact O-N 3.47Å; Y523-L526 PolarHBondContact O-N 3.42Å; Y523-I527 WeakPolarHBondContact O-CG1 3.48Å; Y523-I527 PolarHBondContact O-N 2.86Å
524L74.7Confident71.2Confident104 Ų10492 Ų9255%0.54553%0.526SS..Hα-helixtrans-63.2-43.3171.7-87.7160.7000111.3S520 L521 L526 I527 V528S520-L524 PolarHBondContact O-N 3.2Å; L521-L524 PolarHBondContact O-N 3.31Å; L524-L526 VanDerWaalsContact C-N 3.31Å; L524-L526 PolarHBondContact O-N 3.44Å; L524-I527 PolarHBondContact O-N 2.81Å; L524-V528 WeakPolarHBondContact O-CG2 3.45Å; L524-V528 PolarHBondContact O-N 2.83Å
525N75.2Confident72.5Confident101 Ų10192.5 Ų92.554%0.5452%0.523SS..Hα-helixtrans-63.1-35.7174.4-75.9-23.8000112.3L521 P522 L529L521-N525 WeakPolarHBondContact O-CB 3.35Å; L521-N525 VanDerWaalsContact O-CG 3.3Å; L521-N525 PolarHBondContact O-N 2.72Å; L521-N525 PolarHBondContact O-ND2 3.09Å; P522-N525 PolarHBondContact O-N 3.4Å; N525-L529 WeakPolarHBondContact O-CB 3.3Å; N525-L529 PolarHBondContact O-N 2.91Å
526L80.5Confident73.6Confident90 Ų9094 Ų9447%0.47152%0.519SS..Hα-helixtrans-66.7-42175.6-173.369000111.7P522 Y523 L524 L529 I530P522-L526 WeakPolarHBondContact O-CB 3.26Å; P522-L526 PolarHBondContact O-N 2.9Å; Y523-L526 PolarHBondContact O-N 3.42Å; L524-L526 VanDerWaalsContact C-N 3.31Å; L524-L526 PolarHBondContact O-N 3.44Å; L526-L529 PolarHBondContact O-N 3.41Å; L526-I530 HydrophobicContact CG-CD1 4.05Å; L526-I530 WeakPolarHBondContact O-CB 3.42Å; L526-I530 WeakPolarHBondContact O-CD1 3.42Å; L526-I530 WeakPolarHBondContact O-CG1 3.46Å; L526-I530 PolarHBondContact O-N 3.47Å
527I81.2Confident74.4Confident115 Ų11593.9 Ų93.959%0.5951%0.511SS*.Hα-helixtrans-65.3-43.3176.5-66.8166.7000110.6Y523 L524 I530 A531Y523-I527 WeakPolarHBondContact O-CG1 3.48Å; Y523-I527 PolarHBondContact O-N 2.86Å; L524-I527 PolarHBondContact O-N 2.81Å; I527-I530 PolarHBondContact O-N 2.86Å; I527-A531 WeakPolarHBondContact O-CB 3.36Å; I527-A531 PolarHBondContact O-N 3.43Å
528V82.3Confident75.2Confident85 Ų8592.7 Ų92.752%0.51551%0.506SS..Hα-helixtrans-63.3-42.3174.8174.60000110.7L524 I530 A531 V532L524-V528 WeakPolarHBondContact O-CG2 3.45Å; L524-V528 PolarHBondContact O-N 2.83Å; V528-I530 PolarHBondContact O-N 3.14Å; V528-A531 PolarHBondContact O-N 2.95Å; V528-V532 HydrophobicContact CG1-CG2 4.27Å; V528-V532 WeakPolarHBondContact O-CB 3.08Å; V528-V532 VanDerWaalsContact O-CG2 3.24Å; V528-V532 WeakPolarHBondContact O-CG2 3.41Å; V528-V532 PolarHBondContact O-N 3.15Å
529L81.6Confident75.8Confident95 Ų9590.5 Ų90.550%0.49749%0.494SS..Hα-helixtrans-61.6-44.5176.5-176.967.5000111.5N525 L526 V532 I533N525-L529 WeakPolarHBondContact O-CB 3.3Å; N525-L529 PolarHBondContact O-N 2.91Å; L526-L529 PolarHBondContact O-N 3.41Å; L529-V532 PolarHBondContact O-N 3.32Å; L529-I533 HydrophobicContact CD1-CD1 4.17Å; L529-I533 HydrophobicContact CD1-CG1 4.46Å; L529-I533 HydrophobicContact CD2-CD1 4.49Å; L529-I533 HydrophobicContact CG-CD1 3.85Å; L529-I533 HydrophobicContact CG-CG1 4.49Å; L529-I533 WeakPolarHBondContact O-CB 3.26Å; L529-I533 WeakPolarHBondContact O-CG1 3.32Å; L529-I533 PolarHBondContact O-N 3.28Å
530I84.8Confident76.1Confident101 Ų10189.5 Ų89.552%0.51848%0.48SS..Hα-helixtrans-63.3-42.8176.4-68.4164.2000110.7L526 I527 V528 I533 A534L526-I530 HydrophobicContact CG-CD1 4.05Å; L526-I530 WeakPolarHBondContact O-CB 3.42Å; L526-I530 WeakPolarHBondContact O-CD1 3.42Å; L526-I530 WeakPolarHBondContact O-CG1 3.46Å; L526-I530 PolarHBondContact O-N 3.47Å; I527-I530 PolarHBondContact O-N 2.86Å; V528-I530 PolarHBondContact O-N 3.14Å; I530-I533 PolarHBondContact O-N 3.3Å; I530-A534 VanDerWaalsContact O-CB 3.31Å; I530-A534 WeakPolarHBondContact O-CB 3.42Å; I530-A534 PolarHBondContact O-N 2.96Å
531A82Confident76.1Confident58 Ų5892.8 Ų92.848%0.47949%0.493SS..Hα-helixtrans-64.5-41177.300000112.2I527 V528 A534 Y535I527-A531 WeakPolarHBondContact O-CB 3.36Å; I527-A531 PolarHBondContact O-N 3.43Å; V528-A531 PolarHBondContact O-N 2.95Å; A531-A534 PolarHBondContact O-N 3.2Å; A531-Y535 WeakPolarHBondContact O-CB 3.41Å; A531-Y535 PolarHBondContact O-N 3.45Å
532V83.7Confident76.2Confident73 Ų7399.4 Ų99.444%0.44251%0.512SS..Hα-helixtrans-66-44.5175.1171.50000110.7V528 L529 A534 Y535 Q536V528-V532 HydrophobicContact CG1-CG2 4.27Å; V528-V532 WeakPolarHBondContact O-CB 3.08Å; V528-V532 VanDerWaalsContact O-CG2 3.24Å; V528-V532 WeakPolarHBondContact O-CG2 3.41Å; V528-V532 PolarHBondContact O-N 3.15Å; L529-V532 PolarHBondContact O-N 3.32Å; V532-A534 PolarHBondContact O-N 3.45Å; V532-Y535 PolarHBondContact O-N 2.91Å; V532-Q536 HydrophobicContact CG1-CG 4.23Å; V532-Q536 WeakPolarHBondContact O-CB 3.34Å; V532-Q536 WeakPolarHBondContact O-CG 3.41Å; V532-Q536 PolarHBondContact O-N 3.42Å
533I81.2Confident75.8Confident93 Ų93101.4 Ų101.448%0.47751%0.514SS..Hα-helixtrans-61.6-45.5175.7-69.4167.2000110.3L529 I530 Y535 Q536 V537L529-I533 HydrophobicContact CD1-CD1 4.17Å; L529-I533 HydrophobicContact CD1-CG1 4.46Å; L529-I533 HydrophobicContact CD2-CD1 4.49Å; L529-I533 HydrophobicContact CG-CD1 3.85Å; L529-I533 HydrophobicContact CG-CG1 4.49Å; L529-I533 WeakPolarHBondContact O-CB 3.26Å; L529-I533 WeakPolarHBondContact O-CG1 3.32Å; L529-I533 PolarHBondContact O-N 3.28Å; I530-I533 PolarHBondContact O-N 3.3Å; I533-Y535 VanDerWaalsContact C-N 3.34Å; I533-Y535 PolarHBondContact O-N 3.22Å; I533-Q536 PolarHBondContact O-N 3.3Å; I533-V537 HydrophobicContact CG2-CG2 4.09Å; I533-V537 WeakPolarHBondContact O-CB 3.12Å; I533-V537 WeakPolarHBondContact O-CG2 3.25Å; I533-V537 PolarHBondContact O-N 3.42Å
534A79.1Confident75.7Confident58 Ų5897.8 Ų97.848%0.47951%0.51SS..Hα-helixtrans-62-40.917800000112.1I530 A531 V532 N538I530-A534 VanDerWaalsContact O-CB 3.31Å; I530-A534 WeakPolarHBondContact O-CB 3.42Å; I530-A534 PolarHBondContact O-N 2.96Å; A531-A534 PolarHBondContact O-N 3.2Å; V532-A534 PolarHBondContact O-N 3.45Å; A534-N538 WeakPolarHBondContact O-CB 3.43Å; A534-N538 PolarHBondContact O-N 3.5Å
535Y81.1Confident75.4Confident153 Ų153101.1 Ų101.160%0.652%0.521SS*.Hα-helixtrans-64-46.1174.4-178.7-103.3000111.9A531 V532 I533 N538 L539A531-Y535 WeakPolarHBondContact O-CB 3.41Å; A531-Y535 PolarHBondContact O-N 3.45Å; V532-Y535 PolarHBondContact O-N 2.91Å; I533-Y535 VanDerWaalsContact C-N 3.34Å; I533-Y535 PolarHBondContact O-N 3.22Å; Y535-N538 PolarHBondContact O-N 2.96Å; Y535-L539 HydrophobicContact CD1-CD1 3.88Å; Y535-L539 HydrophobicContact CD2-CD1 4.19Å; Y535-L539 HydrophobicContact CE1-CD1 3.43Å; Y535-L539 VanDerWaalsContact CE1-CD1 3.43Å; Y535-L539 HydrophobicContact CE2-CD1 3.76Å; Y535-L539 HydrophobicContact CG-CD1 4.25Å; Y535-L539 WeakPolarHBondContact O-CD1 3.3Å; Y535-L539 PolarHBondContact O-N 2.95Å
536Q76Confident75.1Confident92 Ų9299.5 Ų99.543%0.4352%0.522SS..Hα-helixtrans-65.3-42.3178.1-68.8-67.43.300111.8V532 I533 N538 L539 I540V532-Q536 HydrophobicContact CG1-CG 4.23Å; V532-Q536 WeakPolarHBondContact O-CB 3.34Å; V532-Q536 WeakPolarHBondContact O-CG 3.41Å; V532-Q536 PolarHBondContact O-N 3.42Å; I533-Q536 PolarHBondContact O-N 3.3Å; Q536-N538 VanDerWaalsContact C-N 3.33Å; Q536-N538 PolarHBondContact O-N 3.33Å; Q536-L539 PolarHBondContact O-N 3.43Å; Q536-I540 HydrophobicContact CB-CD1 4.46Å; Q536-I540 WeakPolarHBondContact O-CB 3.42Å; Q536-I540 WeakPolarHBondContact O-CD1 3.32Å; Q536-I540 WeakPolarHBondContact O-CG1 3.46Å; Q536-I540 PolarHBondContact O-N 3.21Å
537V72.8Confident74.8Confident73 Ų7399.5 Ų99.544%0.44252%0.519SS..Hα-helixtrans-61.4-41.6175.8168.50000110.9I533 L539 I540 L541I533-V537 HydrophobicContact CG2-CG2 4.09Å; I533-V537 WeakPolarHBondContact O-CB 3.12Å; I533-V537 WeakPolarHBondContact O-CG2 3.25Å; I533-V537 PolarHBondContact O-N 3.42Å; V537-L539 PolarHBondContact O-N 3.03Å; V537-I540 PolarHBondContact O-N 3.23Å; V537-L541 HydrophobicContact CG1-CD1 3.79Å; V537-L541 HydrophobicContact CG1-CG 4.39Å; V537-L541 WeakPolarHBondContact O-CB 3.03Å; V537-L541 WeakPolarHBondContact O-CD1 3.32Å; V537-L541 VanDerWaalsContact O-CG 3.3Å; V537-L541 WeakPolarHBondContact O-CG 3.38Å; V537-L541 PolarHBondContact O-N 3.17Å
538N72.5Confident74.3Confident99 Ų9996.5 Ų96.553%0.52950%0.503SS..Hα-helixtrans-66.6-35.5176.7-160.9-4.3000112.3A534 Y535 Q536A534-N538 WeakPolarHBondContact O-CB 3.43Å; A534-N538 PolarHBondContact O-N 3.5Å; Y535-N538 PolarHBondContact O-N 2.96Å; Q536-N538 VanDerWaalsContact C-N 3.33Å; Q536-N538 PolarHBondContact O-N 3.33Å
539L70Confident74Confident79 Ų7994.2 Ų94.241%0.41449%0.493SS..Hα-helixtrans-68.2-41.5171-101.8101.2000112.8Y535 Q536 V537 R542Y535-L539 HydrophobicContact CD1-CD1 3.88Å; Y535-L539 HydrophobicContact CD2-CD1 4.19Å; Y535-L539 HydrophobicContact CE1-CD1 3.43Å; Y535-L539 VanDerWaalsContact CE1-CD1 3.43Å; Y535-L539 HydrophobicContact CE2-CD1 3.76Å; Y535-L539 HydrophobicContact CG-CD1 4.25Å; Y535-L539 WeakPolarHBondContact O-CD1 3.3Å; Y535-L539 PolarHBondContact O-N 2.95Å; Q536-L539 PolarHBondContact O-N 3.43Å; V537-L539 PolarHBondContact O-N 3.03Å; L539-R542 PolarHBondContact O-N 2.72Å
540I64.7Low73.9Confident38 Ų3893.4 Ų93.420%0.19549%0.492CS..Hα-helixtrans-69.2-37.1-177-71.5164.6000110.8Q536 V537 R542 K543 I548 W551Q536-I540 HydrophobicContact CB-CD1 4.46Å; Q536-I540 WeakPolarHBondContact O-CB 3.42Å; Q536-I540 WeakPolarHBondContact O-CD1 3.32Å; Q536-I540 WeakPolarHBondContact O-CG1 3.46Å; Q536-I540 PolarHBondContact O-N 3.21Å; V537-I540 PolarHBondContact O-N 3.23Å; I540-R542 PolarHBondContact O-N 3.37Å; I540-R542 VanDerWaalsContact O-N 3.1Å; I540-K543 PolarHBondContact O-N 3.2Å; I540-I548 HydrophobicContact CG2-CB 4.13Å; I540-I548 HydrophobicContact CG2-CG1 3.81Å; I540-I548 HydrophobicContact CG2-CG2 4Å; I540-I548 WeakPolarHBondContact O-CG1 3.46Å; I540-W551 HydrophobicContact CD1-CB 4.2Å; I540-W551 HydrophobicContact CD1-CG 4.35Å
541L63.7Low73.7Confident124 Ų12494.9 Ų94.965%0.64949%0.491SS*.THydrogen-bonded Turntrans-61.8-16.2175.8-78.7162000114.2V537V537-L541 HydrophobicContact CG1-CD1 3.79Å; V537-L541 HydrophobicContact CG1-CG 4.39Å; V537-L541 WeakPolarHBondContact O-CB 3.03Å; V537-L541 WeakPolarHBondContact O-CD1 3.32Å; V537-L541 VanDerWaalsContact O-CG 3.3Å; V537-L541 WeakPolarHBondContact O-CG 3.38Å; V537-L541 PolarHBondContact O-N 3.17Å
542R66.6Low73.8Confident218 Ų21898.4 Ų98.482%0.82350%0.496SS*.THydrogen-bonded Turntrans-90.1-7.2174.6-68.8-174.5177.2-172.6-1.4114.1L539 I540L539-R542 PolarHBondContact O-N 2.72Å; I540-R542 PolarHBondContact O-N 3.37Å; I540-R542 VanDerWaalsContact O-N 3.1Å
543K63Low73.8Confident117 Ų11799.4 Ų99.451%0.50950%0.499SS..SBendtrans-94.6151-176.7-66.4-88.8-177.7172.80110.6I540 H547I540-K543 PolarHBondContact O-N 3.2Å; K543-H547 HydrophobicContact CB-CB 3.77Å
544P73.7Confident74.1Confident88 Ų8899.5 Ų99.557%0.57150%0.5SS*.  trans-56146.4177.124-34.2000110.7A546 H547P544-A546 PolarHBondContact O-N 3.46Å; P544-H547 PolarHBondContact O-N 3.25Å
545F67.7Low74.5Confident173 Ų173100.3 Ų100.376%0.75950%0.498SS*.Hα-helixtrans-46.1-33.2-172-177.6-99.7000114.6H547 I548 A549F545-H547 PolarHBondContact O-N 3.25Å; F545-I548 WeakPolarHBondContact O-CB 3.21Å; F545-I548 PolarHBondContact O-N 3.08Å; F545-A549 PolarHBondContact O-N 3.37Å
546A69.3Low74.8Confident68 Ų6895 Ų9556%0.56248%0.483SS*.Hα-helixtrans-60-41.5175.200000113.6P544 I548 A549 V550P544-A546 PolarHBondContact O-N 3.46Å; A546-I548 VanDerWaalsContact C-N 3.35Å; A546-A549 PolarHBondContact O-N 3.45Å; A546-V550 VanDerWaalsContact O-CG2 3.32Å; A546-V550 WeakPolarHBondContact O-CG2 3.3Å; A546-V550 PolarHBondContact O-N 2.77Å
547H73.3Confident75.6Confident89 Ų8993 Ų9341%0.41247%0.473SS..Hα-helixtrans-67.2-38.3175.4-86.1-58.6000111.5K543 P544 F545 A549 V550 W551K543-H547 HydrophobicContact CB-CB 3.77Å; P544-H547 PolarHBondContact O-N 3.25Å; F545-H547 PolarHBondContact O-N 3.25Å; H547-A549 VanDerWaalsContact C-N 3.34Å; H547-A549 PolarHBondContact O-N 3.24Å; H547-V550 PolarHBondContact O-N 3.46Å; H547-W551 WeakPolarHBondContact O-CB 3.5Å; H547-W551 PolarHBondContact O-N 3.24Å
548I71.5Confident76.4Confident52 Ų5292.1 Ų92.127%0.26747%0.474SS..Hα-helixtrans-61-46.5176.5-54.9-177.8000110.1I540 F545 A546 W551 F552I540-I548 HydrophobicContact CG2-CB 4.13Å; I540-I548 HydrophobicContact CG2-CG1 3.81Å; I540-I548 HydrophobicContact CG2-CG2 4Å; I540-I548 WeakPolarHBondContact O-CG1 3.46Å; F545-I548 WeakPolarHBondContact O-CB 3.21Å; F545-I548 PolarHBondContact O-N 3.08Å; A546-I548 VanDerWaalsContact C-N 3.35Å; I548-W551 PolarHBondContact O-N 2.82Å; I548-F552 VanDerWaalsContact O-CB 3.26Å; I548-F552 WeakPolarHBondContact O-CB 3.45Å; I548-F552 PolarHBondContact O-N 2.77Å
549A75.5Confident77.3Confident37 Ų3792.2 Ų92.231%0.30648%0.477SS..Hα-helixtrans-63.4-41.6178.700000112.9F545 A546 H547 F552 L553F545-A549 PolarHBondContact O-N 3.37Å; A546-A549 PolarHBondContact O-N 3.45Å; H547-A549 VanDerWaalsContact C-N 3.34Å; H547-A549 PolarHBondContact O-N 3.24Å; A549-F552 PolarHBondContact O-N 3.25Å; A549-L553 WeakPolarHBondContact O-CB 3.49Å; A549-L553 WeakPolarHBondContact O-CG 3.16Å; A549-L553 PolarHBondContact O-N 3.12Å
550V80Confident78.3Confident78 Ų7890.4 Ų90.447%0.47347%0.471SS..Hα-helixtrans-65.4-46.6177.4170.80000111.3A546 H547 F552 L553 L554A546-V550 VanDerWaalsContact O-CG2 3.32Å; A546-V550 WeakPolarHBondContact O-CG2 3.3Å; A546-V550 PolarHBondContact O-N 2.77Å; H547-V550 PolarHBondContact O-N 3.46Å; V550-F552 VanDerWaalsContact C-N 3.33Å; V550-F552 PolarHBondContact O-N 3.37Å; V550-L553 PolarHBondContact O-N 3.44Å; V550-L554 HydrophobicContact CG1-CD1 4.05Å; V550-L554 WeakPolarHBondContact O-CB 3.32Å; V550-L554 WeakPolarHBondContact O-CG 3.32Å; V550-L554 PolarHBondContact O-N 3.08Å
551W80.9Confident79.6Confident132 Ų13291.2 Ų91.250%0.547%0.474SS..Hα-helixtrans-64.6-38.7177.1-82102.6000111.8I540 H547 I548 L554 T555I540-W551 HydrophobicContact CD1-CB 4.2Å; I540-W551 HydrophobicContact CD1-CG 4.35Å; H547-W551 WeakPolarHBondContact O-CB 3.5Å; H547-W551 PolarHBondContact O-N 3.24Å; I548-W551 PolarHBondContact O-N 2.82Å; W551-L554 PolarHBondContact O-N 3.4Å; W551-T555 VanDerWaalsContact O-CG2 3.32Å; W551-T555 WeakPolarHBondContact O-CG2 3.44Å; W551-T555 PolarHBondContact O-N 3.28Å; W551-T555 PolarHBondContact O-OG1 3.22Å
552F83.9Confident81Confident132 Ų13290.1 Ų90.158%0.57947%0.472SS*.Hα-helixtrans-59.7-51.3173.3179.4-99.9000111.7I548 A549 V550 L554 T555 C556I548-F552 VanDerWaalsContact O-CB 3.26Å; I548-F552 WeakPolarHBondContact O-CB 3.45Å; I548-F552 PolarHBondContact O-N 2.77Å; A549-F552 PolarHBondContact O-N 3.25Å; V550-F552 VanDerWaalsContact C-N 3.33Å; V550-F552 PolarHBondContact O-N 3.37Å; F552-L554 VanDerWaalsContact C-N 3.32Å; F552-L554 PolarHBondContact O-N 2.63Å; F552-T555 WeakPolarHBondContact CA-OG1 3.33Å; F552-T555 PolarHBondContact O-N 3.22Å; F552-T555 VanDerWaalsContact O-N 3.14Å; F552-T555 PolarHBondContact O-OG1 2.94Å; F552-C556 VanDerWaalsContact CZ-SG 3.56Å; F552-C556 PolarHBondContact O-N 3.16Å; F552-C556 PolarHBondContact O-SG 3.36Å; F552-C556 VanDerWaalsContact O-SG 3.37Å
553L84.4Confident82.3Confident95 Ų9588.9 Ų88.950%0.49747%0.467SS..Hα-helixtrans-59.1-41.1177-79.3166.3000112.4A549 V550 C556 F557 F644A549-L553 WeakPolarHBondContact O-CB 3.49Å; A549-L553 WeakPolarHBondContact O-CG 3.16Å; A549-L553 PolarHBondContact O-N 3.12Å; V550-L553 PolarHBondContact O-N 3.44Å; L553-C556 PolarHBondContact O-N 3.04Å; L553-F557 VanDerWaalsContact O-CB 3.32Å; L553-F557 WeakPolarHBondContact O-CB 3.43Å; L553-F557 PolarHBondContact O-N 3.4Å; L553-F644 HydrophobicContact CD2-CE1 4.24Å; L553-F644 HydrophobicContact CD2-CZ 4.05Å
554L87Confident83.7Confident95 Ų9583.6 Ų83.650%0.49745%0.445SS..Hα-helixtrans-63.5-42.3175.2-75.7171.7000112.1V550 W551 F552 F557 A558V550-L554 HydrophobicContact CG1-CD1 4.05Å; V550-L554 WeakPolarHBondContact O-CB 3.32Å; V550-L554 WeakPolarHBondContact O-CG 3.32Å; V550-L554 PolarHBondContact O-N 3.08Å; W551-L554 PolarHBondContact O-N 3.4Å; F552-L554 VanDerWaalsContact C-N 3.32Å; F552-L554 PolarHBondContact O-N 2.63Å; L554-F557 PolarHBondContact O-N 2.97Å; L554-A558 WeakPolarHBondContact O-CB 3.38Å; L554-A558 PolarHBondContact O-N 3.48Å
555T87.2Confident84.7Confident74 Ų7481.9 Ų81.945%0.45443%0.427SS..Hα-helixtrans-66.6-41.7176.855.50000112.2W551 F552 A558 V559W551-T555 VanDerWaalsContact O-CG2 3.32Å; W551-T555 WeakPolarHBondContact O-CG2 3.44Å; W551-T555 PolarHBondContact O-N 3.28Å; W551-T555 PolarHBondContact O-OG1 3.22Å; F552-T555 WeakPolarHBondContact CA-OG1 3.33Å; F552-T555 PolarHBondContact O-N 3.22Å; F552-T555 VanDerWaalsContact O-N 3.14Å; F552-T555 PolarHBondContact O-OG1 2.94Å; T555-A558 PolarHBondContact O-N 2.8Å; T555-V559 WeakPolarHBondContact O-CG2 3.4Å; T555-V559 PolarHBondContact O-N 3.28Å
556C88Confident85.9Confident41 Ų4180.5 Ų80.528%0.27742%0.418SS..Hα-helixtrans-62.7-44.7174.9-68.40000111.1F552 L553 A558 V559 S560 F644F552-C556 VanDerWaalsContact CZ-SG 3.56Å; F552-C556 PolarHBondContact O-N 3.16Å; F552-C556 PolarHBondContact O-SG 3.36Å; F552-C556 VanDerWaalsContact O-SG 3.37Å; L553-C556 PolarHBondContact O-N 3.04Å; C556-A558 VanDerWaalsContact C-N 3.33Å; C556-A558 PolarHBondContact O-N 2.89Å; C556-V559 PolarHBondContact O-N 3.09Å; C556-S560 WeakPolarHBondContact O-CB 3.47Å; C556-S560 PolarHBondContact O-N 3.5Å; C556-S560 PolarHBondContact O-OG 3.42Å; C556-S560 VanDerWaalsContact O-OG 3.13Å; C556-F644 HydrophobicContact CB-CE2 3.81Å; C556-F644 HydrophobicContact CB-CZ 4.13Å
557F91.4Very high87Confident52 Ų5281.2 Ų81.223%0.22841%0.412CS..Hα-helixtrans-61.4-40.5177.1-176.3-95.1000112.1L553 L554 S560 F561 L637 T640 I641 F644L553-F557 VanDerWaalsContact O-CB 3.32Å; L553-F557 WeakPolarHBondContact O-CB 3.43Å; L553-F557 PolarHBondContact O-N 3.4Å; L554-F557 PolarHBondContact O-N 2.97Å; F557-S560 PolarHBondContact O-N 2.96Å; F557-F561 WeakPolarHBondContact O-CB 3.38Å; F557-F561 PolarHBondContact O-N 2.78Å; F557-L637 HydrophobicContact CE1-CD1 4.23Å; F557-L637 HydrophobicContact CZ-CD1 3.88Å; F557-T640 HydrophobicContact CD2-CG2 4.42Å; F557-T640 HydrophobicContact CE2-CG2 4.01Å; F557-T640 HydrophobicContact CZ-CG2 4.31Å; F557-I641 HydrophobicContact CE2-CG1 3.85Å; F557-I641 HydrophobicContact CZ-CG1 3.87Å; F557-F644 HydrophobicContact CB-CE1 4.47Å; F557-F644 HydrophobicContact CB-CE2 4.15Å; F557-F644 HydrophobicContact CB-CZ 4.12Å; F557-F644 HydrophobicContact CD2-CB 4.31Å; F557-F644 AromaticContact CD2-CD1 3.98Å; F557-F644 HydrophobicContact CD2-CD1 3.98Å; F557-F644 HydrophobicContact CD2-CD2 4.28Å; F557-F644 HydrophobicContact CD2-CE1 4.36Å; F557-F644 AromaticContact CD2-CG 3.94Å; F557-F644 HydrophobicContact CD2-CG 3.94Å
558A90.6Very high87.9Confident54 Ų5478 Ų7845%0.44640%0.399SS..Hα-helixtrans-64.7-42.6176.800000112.4L554 T555 C556 F561 V562L554-A558 WeakPolarHBondContact O-CB 3.38Å; L554-A558 PolarHBondContact O-N 3.48Å; T555-A558 PolarHBondContact O-N 2.8Å; C556-A558 VanDerWaalsContact C-N 3.33Å; C556-A558 PolarHBondContact O-N 2.89Å; A558-F561 PolarHBondContact O-N 2.83Å; A558-V562 WeakPolarHBondContact O-CG2 3.35Å; A558-V562 PolarHBondContact O-N 2.92Å; A558-V562 VanDerWaalsContact O-N 3.15Å
559V90.2Very high89Confident100 Ų10079.2 Ų79.261%0.60640%0.4SS*.Hα-helixtrans-64.4-44.2174.5173.80000110.6T555 C556 F561 V562 W563T555-V559 WeakPolarHBondContact O-CG2 3.4Å; T555-V559 PolarHBondContact O-N 3.28Å; C556-V559 PolarHBondContact O-N 3.09Å; V559-F561 VanDerWaalsContact C-N 3.32Å; V559-F561 PolarHBondContact O-N 3.39Å; V559-V562 PolarHBondContact O-N 3.18Å; V559-W563 WeakPolarHBondContact O-CB 3.41Å; V559-W563 PolarHBondContact O-N 3.2Å
560S91Very high89.7Confident41 Ų4179.8 Ų79.829%0.28740%0.4SS..Hα-helixtrans-60-40.4175.3-67.60000112C556 F557 W563 T564C556-S560 WeakPolarHBondContact O-CB 3.47Å; C556-S560 PolarHBondContact O-N 3.5Å; C556-S560 PolarHBondContact O-OG 3.42Å; C556-S560 VanDerWaalsContact O-OG 3.13Å; F557-S560 PolarHBondContact O-N 2.96Å; S560-W563 PolarHBondContact O-N 3.1Å; S560-T564 PolarHBondContact O-N 3.26Å; S560-T564 PolarHBondContact O-OG1 3Å
561F93.7Very high90.2Very high56 Ų5680 Ų8025%0.24640%0.402CS..Hα-helixtrans-62.9-44.3176.9-177.1-96.4000112.4F557 A558 V559 W563 W565 V636 L637 T640F557-F561 WeakPolarHBondContact O-CB 3.38Å; F557-F561 PolarHBondContact O-N 2.78Å; A558-F561 PolarHBondContact O-N 2.83Å; V559-F561 VanDerWaalsContact C-N 3.32Å; V559-F561 PolarHBondContact O-N 3.39Å; F561-W563 VanDerWaalsContact C-N 3.31Å; F561-W563 PolarHBondContact O-N 2.82Å; F561-W565 AromaticContact CE1-CE3 3.78Å; F561-W565 HydrophobicContact CE1-CE3 3.78Å; F561-W565 HydrophobicContact CE1-CZ3 4.22Å; F561-W565 AromaticContact CZ-CE3 3.64Å; F561-W565 HydrophobicContact CZ-CE3 3.64Å; F561-W565 AromaticContact CZ-CZ3 3.88Å; F561-W565 HydrophobicContact CZ-CZ3 3.88Å; F561-W565 VanDerWaalsContact O-CB 3.27Å; F561-W565 WeakPolarHBondContact O-CB 3.11Å; F561-W565 PolarHBondContact O-N 2.89Å; F561-V636 HydrophobicContact CD2-CG1 4.24Å; F561-V636 HydrophobicContact CE2-CB 4.31Å; F561-V636 HydrophobicContact CE2-CG1 3.91Å; F561-V636 HydrophobicContact CZ-CG1 4.31Å; F561-L637 HydrophobicContact CD2-CD1 4.16Å; F561-L637 HydrophobicContact CE2-CB 3.99Å; F561-L637 HydrophobicContact CE2-CD1 4.09Å; F561-T640 HydrophobicContact CB-CG2 4.05Å; F561-T640 HydrophobicContact CD2-CG2 4.46Å
562V92.4Very high90.7Very high101 Ų10176.5 Ų76.561%0.61239%0.39SS*.Hα-helixtrans-65.1-38.3175.91760000110.9A558 V559 W565 Y566A558-V562 WeakPolarHBondContact O-CG2 3.35Å; A558-V562 PolarHBondContact O-N 2.92Å; A558-V562 VanDerWaalsContact O-N 3.15Å; V559-V562 PolarHBondContact O-N 3.18Å; V562-W565 PolarHBondContact O-N 3.28Å; V562-Y566 WeakPolarHBondContact O-CB 3.33Å; V562-Y566 PolarHBondContact O-N 2.78Å
563W93.1Very high91.1Very high192 Ų19272.5 Ų72.573%0.72738%0.376SS*.Hα-helixtrans-66-50.8177.2-168-87.4000112.3V559 S560 F561 W565 Y566 D567V559-W563 WeakPolarHBondContact O-CB 3.41Å; V559-W563 PolarHBondContact O-N 3.2Å; S560-W563 PolarHBondContact O-N 3.1Å; F561-W563 VanDerWaalsContact C-N 3.31Å; F561-W563 PolarHBondContact O-N 2.82Å; W563-W565 VanDerWaalsContact C-N 3.29Å; W563-W565 PolarHBondContact O-N 3.4Å; W563-Y566 PolarHBondContact O-N 2.87Å; W563-D567 PolarHBondContact O-N 3.26Å
564T92.5Very high91.2Very high5 Ų570.8 Ų70.83%0.03138%0.376CS..Hα-helixtrans-61-38.9175.4-52.50000110.9S560 D567 V568 V636 I639 T640 E643S560-T564 PolarHBondContact O-N 3.26Å; S560-T564 PolarHBondContact O-OG1 3Å; T564-D567 PolarHBondContact O-N 3.29Å; T564-V568 HydrophobicContact CG2-CG2 4.38Å; T564-V568 VanDerWaalsContact O-CG2 3.31Å; T564-V568 WeakPolarHBondContact O-CG2 3.3Å; T564-V568 PolarHBondContact O-N 3Å; T564-V636 HydrophobicContact CG2-CG1 4.11Å; T564-I639 HydrophobicContact CG2-CB 4.03Å; T564-I639 HydrophobicContact CG2-CG2 3.56Å; T564-T640 WeakPolarHBondContact CB-OG1 3.3Å; T564-T640 WeakPolarHBondContact CG2-OG1 3.5Å; T564-T640 PolarHBondContact OG1-OG1 2.88Å; T564-E643 PolarHBondContact OG1-OE2 3.44Å; T564-E643 VanDerWaalsContact OG1-OE2 3.11Å
565W94.2Very high91.2Very high52 Ų5269.6 Ų69.620%0.19737%0.367CS..Hα-helixtrans-60.3-47.7175-170.1-69.2000111.4F561 V562 W563 V568 Y569 F628 V631 P633 V636F561-W565 AromaticContact CE1-CE3 3.78Å; F561-W565 HydrophobicContact CE1-CE3 3.78Å; F561-W565 HydrophobicContact CE1-CZ3 4.22Å; F561-W565 AromaticContact CZ-CE3 3.64Å; F561-W565 HydrophobicContact CZ-CE3 3.64Å; F561-W565 AromaticContact CZ-CZ3 3.88Å; F561-W565 HydrophobicContact CZ-CZ3 3.88Å; F561-W565 VanDerWaalsContact O-CB 3.27Å; F561-W565 WeakPolarHBondContact O-CB 3.11Å; F561-W565 PolarHBondContact O-N 2.89Å; V562-W565 PolarHBondContact O-N 3.28Å; W563-W565 VanDerWaalsContact C-N 3.29Å; W563-W565 PolarHBondContact O-N 3.4Å; W565-V568 PolarHBondContact O-N 3.27Å; W565-Y569 VanDerWaalsContact O-CB 3.25Å; W565-Y569 WeakPolarHBondContact O-CB 3.47Å; W565-Y569 PolarHBondContact O-N 3.42Å; W565-F628 HydrophobicContact CZ2-CE2 4.22Å; W565-F628 HydrophobicContact CZ2-CZ 4.13Å; W565-F628 AromaticContact NE1-CE2 3.56Å; W565-V631 HydrophobicContact CD2-CG1 4.34Å; W565-V631 HydrophobicContact CZ2-CB 4.49Å; W565-V631 HydrophobicContact CZ2-CG1 4.26Å; W565-P633 HydrophobicContact CH2-CB 3.94Å; W565-P633 HydrophobicContact CH2-CG 3.85Å; W565-P633 HydrophobicContact CZ3-CB 3.75Å; W565-P633 HydrophobicContact CZ3-CG 4.19Å; W565-V636 HydrophobicContact CB-CG1 3.91Å; W565-V636 HydrophobicContact CD2-CG1 4.42Å; W565-V636 HydrophobicContact CD2-CG2 4.31Å; W565-V636 HydrophobicContact CE3-CB 4.02Å; W565-V636 HydrophobicContact CE3-CG1 3.9Å; W565-V636 HydrophobicContact CE3-CG2 3.99Å; W565-V636 HydrophobicContact CG-CG1 4.49Å; W565-V636 HydrophobicContact CZ3-CG2 4.48Å
566Y93.4Very high91.1Very high144 Ų14466.3 Ų66.357%0.56535%0.347SS*.Hα-helixtrans-61.1-44.7178.4-178-99.3000111.3V562 W563 Y569 T570V562-Y566 WeakPolarHBondContact O-CB 3.33Å; V562-Y566 PolarHBondContact O-N 2.78Å; W563-Y566 PolarHBondContact O-N 2.87Å; Y566-Y569 WeakPolarHBondContact O-CB 3.48Å; Y566-Y569 PolarHBondContact O-N 3.42Å; Y566-T570 HydrophobicContact CD1-CG2 4.06Å; Y566-T570 HydrophobicContact CD2-CG2 4.46Å; Y566-T570 HydrophobicContact CE1-CG2 3.65Å; Y566-T570 HydrophobicContact CE2-CG2 4.08Å; Y566-T570 HydrophobicContact CG-CG2 4.45Å; Y566-T570 VanDerWaalsContact O-CG2 3.31Å; Y566-T570 WeakPolarHBondContact O-CG2 3.5Å; Y566-T570 PolarHBondContact O-N 3.12Å; Y566-T570 PolarHBondContact O-OG1 3.23Å
567D92.3Very high91Very high83 Ų8366.8 Ų66.844%0.44435%0.349SS..Hα-helixtrans-58.1-53.9176.9-172.363.9000111.5W563 T564 Y569 T570 V571W563-D567 PolarHBondContact O-N 3.26Å; T564-D567 PolarHBondContact O-N 3.29Å; D567-Y569 VanDerWaalsContact C-N 3.29Å; D567-Y569 PolarHBondContact O-N 3.06Å; D567-T570 PolarHBondContact O-N 3.06Å; D567-T570 VanDerWaalsContact O-N 3.11Å; D567-T570 PolarHBondContact O-OG1 2.96Å; D567-V571 WeakPolarHBondContact O-CG2 3.45Å; D567-V571 PolarHBondContact O-N 2.96Å
568V93Very high90.6Very high22 Ų2266.9 Ų66.913%0.13336%0.359CS..Hα-helixtrans-60.4-38.3178.3177.50000111.9T564 W565 V571 K572 V631 V636 I639T564-V568 HydrophobicContact CG2-CG2 4.38Å; T564-V568 VanDerWaalsContact O-CG2 3.31Å; T564-V568 WeakPolarHBondContact O-CG2 3.3Å; T564-V568 PolarHBondContact O-N 3Å; W565-V568 PolarHBondContact O-N 3.27Å; V568-V571 PolarHBondContact O-N 3.31Å; V568-K572 WeakPolarHBondContact O-CG 3.46Å; V568-K572 PolarHBondContact O-N 3.27Å; V568-V631 HydrophobicContact CB-CG1 4.41Å; V568-V631 HydrophobicContact CG1-CG1 3.88Å; V568-V631 HydrophobicContact CG1-CG2 4.23Å; V568-V636 HydrophobicContact CB-CG2 4.46Å; V568-V636 HydrophobicContact CG1-CG2 4.47Å; V568-I639 HydrophobicContact CG2-CD1 4.29Å
569Y93.7Very high90.3Very high77 Ų7767.9 Ų67.930%0.30235%0.354SS..Hα-helixtrans-62.1-48.4174.3166.9-104.9000111.9W565 Y566 D567 V571 K572 V573 P627 F628W565-Y569 VanDerWaalsContact O-CB 3.25Å; W565-Y569 WeakPolarHBondContact O-CB 3.47Å; W565-Y569 PolarHBondContact O-N 3.42Å; Y566-Y569 WeakPolarHBondContact O-CB 3.48Å; Y566-Y569 PolarHBondContact O-N 3.42Å; D567-Y569 VanDerWaalsContact C-N 3.29Å; D567-Y569 PolarHBondContact O-N 3.06Å; Y569-V571 VanDerWaalsContact C-N 3.28Å; Y569-V571 PolarHBondContact O-N 2.92Å; Y569-K572 PolarHBondContact O-N 3.49Å; Y569-V573 HydrophobicContact CD1-CG2 4.37Å; Y569-V573 HydrophobicContact CD2-CG2 4.2Å; Y569-V573 HydrophobicContact CE1-CG2 3.89Å; Y569-V573 HydrophobicContact CE2-CG2 3.71Å; Y569-V573 WeakPolarHBondContact O-CG2 3.29Å; Y569-V573 PolarHBondContact O-N 2.89Å; Y569-P627 HydrophobicContact CE2-CB 4.2Å; Y569-F628 HydrophobicContact CD2-CB 4.25Å; Y569-F628 HydrophobicContact CD2-CD2 4.39Å; Y569-F628 HydrophobicContact CE2-CB 3.98Å
570T90.7Very high89.7Confident49 Ų4966.2 Ų66.230%0.30134%0.34SS..Hα-helixtrans-62.3-36.5178.962.10000112.1Y566 D567 V573 A574Y566-T570 HydrophobicContact CD1-CG2 4.06Å; Y566-T570 HydrophobicContact CD2-CG2 4.46Å; Y566-T570 HydrophobicContact CE1-CG2 3.65Å; Y566-T570 HydrophobicContact CE2-CG2 4.08Å; Y566-T570 HydrophobicContact CG-CG2 4.45Å; Y566-T570 VanDerWaalsContact O-CG2 3.31Å; Y566-T570 WeakPolarHBondContact O-CG2 3.5Å; Y566-T570 PolarHBondContact O-N 3.12Å; Y566-T570 PolarHBondContact O-OG1 3.23Å; D567-T570 PolarHBondContact O-N 3.06Å; D567-T570 VanDerWaalsContact O-N 3.11Å; D567-T570 PolarHBondContact O-OG1 2.96Å; T570-V573 PolarHBondContact O-N 2.88Å; T570-A574 PolarHBondContact O-N 3.49Å
571V91.1Very high89Confident83 Ų8370.1 Ų70.150%0.50335%0.354SS..Hα-helixtrans-63-40.8172.31750000111.3D567 V568 Y569 A574 E575D567-V571 WeakPolarHBondContact O-CG2 3.45Å; D567-V571 PolarHBondContact O-N 2.96Å; V568-V571 PolarHBondContact O-N 3.31Å; Y569-V571 VanDerWaalsContact C-N 3.28Å; Y569-V571 PolarHBondContact O-N 2.92Å; V571-A574 PolarHBondContact O-N 3Å; V571-E575 PolarHBondContact O-N 3.38Å
572K91.6Very high88.1Confident58 Ų5876 Ų7625%0.25238%0.379SS..Hα-helixtrans-69.4-33.2176.1-72.5-68.1171.1-166.50113.7V568 Y569 E575 S576 P627 Q630 V631V568-K572 WeakPolarHBondContact O-CG 3.46Å; V568-K572 PolarHBondContact O-N 3.27Å; Y569-K572 PolarHBondContact O-N 3.49Å; K572-E575 IonicContact NZ-OE2 3.51Å; K572-E575 PolarHBondContact NZ-OE2 3.1Å; K572-E575 PolarHBondContact O-N 3.41Å; K572-S576 PolarHBondContact O-N 3.05Å; K572-S576 PolarHBondContact O-OG 3.49Å; K572-P627 HydrophobicContact CB-CB 4.12Å; K572-Q630 HydrophobicContact CD-CB 4.4Å; K572-V631 HydrophobicContact CB-CG2 4.46Å; K572-V631 HydrophobicContact CG-CG2 4.1Å
573V90.8Very high86.9Confident48 Ų4872.4 Ų72.429%0.29136%0.357SS..Hα-helixtrans-63.3-47.9169.6173.90000109.8Y569 T570 E575 S576 V577 P627Y569-V573 HydrophobicContact CD1-CG2 4.37Å; Y569-V573 HydrophobicContact CD2-CG2 4.2Å; Y569-V573 HydrophobicContact CE1-CG2 3.89Å; Y569-V573 HydrophobicContact CE2-CG2 3.71Å; Y569-V573 WeakPolarHBondContact O-CG2 3.29Å; Y569-V573 PolarHBondContact O-N 2.89Å; T570-V573 PolarHBondContact O-N 2.88Å; V573-E575 VanDerWaalsContact C-N 3.33Å; V573-E575 PolarHBondContact O-N 3.38Å; V573-S576 PolarHBondContact O-N 3.18Å; V573-S576 VanDerWaalsContact O-N 3.15Å; V573-V577 HydrophobicContact CG1-CG2 4.5Å; V573-V577 WeakPolarHBondContact O-CG2 3.49Å; V573-V577 PolarHBondContact O-N 3.44Å; V573-P627 HydrophobicContact CG2-CB 3.81Å; V573-P627 HydrophobicContact CG2-CG 3.94Å
574A86.5Confident85.4Confident59 Ų5966.5 Ų66.549%0.48835%0.345SS..Hα-helixtrans-60.2-40177.200000112.5T570 V571 S576 V577 A578T570-A574 PolarHBondContact O-N 3.49Å; V571-A574 PolarHBondContact O-N 3Å; A574-S576 VanDerWaalsContact C-N 3.35Å; A574-S576 PolarHBondContact O-N 3.45Å; A574-V577 PolarHBondContact O-N 3.22Å; A574-A578 WeakPolarHBondContact O-CB 3.35Å; A574-A578 PolarHBondContact O-N 3.11Å
575E87.6Confident83.9Confident70 Ų7071.4 Ų71.433%0.32738%0.375SS..Hα-helixtrans-63.3-39.8175.2-164.2-170.5154.600112.1V571 K572 V573 A578 K579V571-E575 PolarHBondContact O-N 3.38Å; K572-E575 IonicContact NZ-OE2 3.51Å; K572-E575 PolarHBondContact NZ-OE2 3.1Å; K572-E575 PolarHBondContact O-N 3.41Å; V573-E575 VanDerWaalsContact C-N 3.33Å; V573-E575 PolarHBondContact O-N 3.38Å; E575-A578 PolarHBondContact O-N 3.05Å; E575-K579 WeakPolarHBondContact O-CG 3.41Å; E575-K579 PolarHBondContact O-N 3.29Å; E575-K579 WeakPolarHBondContact OE1-CE 3.37Å; E575-K579 IonicContact OE1-NZ 2.78Å; E575-K579 PolarHBondContact OE1-NZ 3.42Å
576S86.2Confident82.3Confident5 Ų576.3 Ų76.34%0.03541%0.405CS..Hα-helixtrans-68.3-42.8178.2-57.30000111.2K572 V573 A574 K579 M580K572-S576 PolarHBondContact O-N 3.05Å; K572-S576 PolarHBondContact O-OG 3.49Å; V573-S576 PolarHBondContact O-N 3.18Å; V573-S576 VanDerWaalsContact O-N 3.15Å; A574-S576 VanDerWaalsContact C-N 3.35Å; A574-S576 PolarHBondContact O-N 3.45Å; S576-K579 PolarHBondContact O-N 3.29Å; S576-M580 WeakPolarHBondContact O-CG 3.41Å; S576-M580 PolarHBondContact O-N 3.5Å; S576-M580 VanDerWaalsContact O-N 3.15Å
577V84.8Confident80.8Confident51 Ų5173.7 Ų73.731%0.30941%0.408SS..Hα-helixtrans-63.7-42.3174174.90000111.7V573 A574 K579 M580 H581V573-V577 HydrophobicContact CG1-CG2 4.5Å; V573-V577 WeakPolarHBondContact O-CG2 3.49Å; V573-V577 PolarHBondContact O-N 3.44Å; A574-V577 PolarHBondContact O-N 3.22Å; V577-K579 VanDerWaalsContact C-N 3.32Å; V577-K579 PolarHBondContact O-N 3.22Å; V577-M580 HydrophobicContact CB-CE 4.33Å; V577-M580 HydrophobicContact CG2-CE 3.94Å; V577-M580 WeakPolarHBondContact O-CB 3.45Å; V577-M580 PolarHBondContact O-N 2.97Å; V577-M580 VanDerWaalsContact O-N 3.14Å; V577-H581 PolarHBondContact O-CD2 3.31Å; V577-H581 VanDerWaalsContact O-CD2 3.27Å; V577-H581 PolarHBondContact O-N 3.48Å; V577-H581 VanDerWaalsContact O-N 3.15Å
578A84.2Confident79.6Confident54 Ų5470.6 Ų70.645%0.44639%0.392SS..Hα-helixtrans-62.8-36.2176.900000112.9A574 E575 H581A574-A578 WeakPolarHBondContact O-CB 3.35Å; A574-A578 PolarHBondContact O-N 3.11Å; E575-A578 PolarHBondContact O-N 3.05Å; A578-H581 PolarHBondContact O-N 2.72Å
579K82.2Confident78Confident76 Ų7676.5 Ų76.533%0.3342%0.416SS..Hα-helixtrans-67.7-34.8174-74.2172.7-172.6167.60112.1E575 S576 V577 K582 A622E575-K579 WeakPolarHBondContact O-CG 3.41Å; E575-K579 PolarHBondContact O-N 3.29Å; E575-K579 WeakPolarHBondContact OE1-CE 3.37Å; E575-K579 IonicContact OE1-NZ 2.78Å; E575-K579 PolarHBondContact OE1-NZ 3.42Å; S576-K579 PolarHBondContact O-N 3.29Å; V577-K579 VanDerWaalsContact C-N 3.32Å; V577-K579 PolarHBondContact O-N 3.22Å; K579-K582 PolarHBondContact O-N 2.96Å; K579-A622 HydrophobicContact CB-CB 3.9Å
580M77.9Confident76.3Confident64 Ų6479.8 Ų79.832%0.31543%0.434SS..Hα-helixtrans-66.7-35.2175.4-69.5-173.5-7300112.8S576 V577 K582 F619 A622S576-M580 WeakPolarHBondContact O-CG 3.41Å; S576-M580 PolarHBondContact O-N 3.5Å; S576-M580 VanDerWaalsContact O-N 3.15Å; V577-M580 HydrophobicContact CB-CE 4.33Å; V577-M580 HydrophobicContact CG2-CE 3.94Å; V577-M580 WeakPolarHBondContact O-CB 3.45Å; V577-M580 PolarHBondContact O-N 2.97Å; V577-M580 VanDerWaalsContact O-N 3.14Å; M580-K582 VanDerWaalsContact C-N 3.3Å; M580-K582 PolarHBondContact O-N 2.89Å; M580-F619 HydrophobicContact CB-CD2 4.39Å; M580-F619 HydrophobicContact CB-CE2 4.15Å; M580-F619 HydrophobicContact CG-CD2 4.44Å; M580-F619 HydrophobicContact CG-CE2 4.35Å; M580-F619 WeakPolarHBondContact O-CE2 3.36Å; M580-A622 HydrophobicContact CG-CB 4.02Å
581H76.9Confident74.6Confident124 Ų12480.5 Ų80.557%0.57444%0.44SS*.Hα-helixtrans-71.8-16.6178.9-81-69.7000115.2V577 A578V577-H581 PolarHBondContact O-CD2 3.31Å; V577-H581 VanDerWaalsContact O-CD2 3.27Å; V577-H581 PolarHBondContact O-N 3.48Å; V577-H581 VanDerWaalsContact O-N 3.15Å; A578-H581 PolarHBondContact O-N 2.72Å
582K74.7Confident73.1Confident179 Ų17981.6 Ų81.678%0.77845%0.451SS*.THydrogen-bonded Turntrans-76.6-19.3-177.5-74.6-176.1179.1-1770114.1K579 M580K579-K582 PolarHBondContact O-N 2.96Å; M580-K582 VanDerWaalsContact C-N 3.3Å; M580-K582 PolarHBondContact O-N 2.89Å
583V67.3Low71.4Confident25 Ų2585.2 Ų85.215%0.15247%0.469CS..SBendtrans-129.2122.6-174.3-174.70000108.8P615 F619V583-P615 HydrophobicContact CG2-CB 3.86Å; V583-F619 HydrophobicContact CB-CB 4.38Å; V583-F619 HydrophobicContact CB-CD2 4.16Å; V583-F619 HydrophobicContact CB-CG 4.45Å
584S62Low69.8Low68 Ų6886.6 Ų86.648%0.47647%0.474SS..  trans-69.1139.9174.358.80000110D586 S587S584-D586 PolarHBondContact O-N 3.28Å; S584-S587 WeakPolarHBondContact O-CB 3.39Å; S584-S587 PolarHBondContact O-N 3.48Å; S584-S587 PolarHBondContact OG-OG 3.45Å
585V61.4Low68.6Low108 Ų10886.8 Ų86.866%0.65547%0.472SS*.G310 helixtrans-51.6-30.2-178.5178.70000111.9S587 F619V585-S587 VanDerWaalsContact C-N 3.32Å; V585-S587 PolarHBondContact O-N 2.93Å; V585-F619 HydrophobicContact CG2-CZ 4.22Å
586D60Low67.6Low155 Ų15588.3 Ų88.383%0.82949%0.49SS*.G310 helixtrans-74.4-18.4-178.6-54.3-30.3000113.9S584S584-D586 PolarHBondContact O-N 3.28Å
587S61.3Low66.5Low89 Ų8997.9 Ų97.962%0.62253%0.526SS*.G310 helixtrans-84.1-13.4-178-56.20000113.3S584 V585S584-S587 WeakPolarHBondContact O-CB 3.39Å; S584-S587 PolarHBondContact O-N 3.48Å; S584-S587 PolarHBondContact OG-OG 3.45Å; V585-S587 VanDerWaalsContact C-N 3.32Å; V585-S587 PolarHBondContact O-N 2.93Å
588C66.6Low65.5Low18 Ų1898.2 Ų98.212%0.12253%0.53CS..SBendtrans-104.8127.9-175.4-91.80000111C616C588-C616 WeakPolarHBondContact CA-SG 3.36Å; C588-C616 HydrophobicContact CB-CB 4.37Å; C588-C616 WeakPolarHBondContact CB-SG 3.46Å; C588-C616 WeakPolarHBondContact SG-CA 3.48Å; C588-C616 WeakPolarHBondContact SG-CB 3.4Å; C588-C616 CovalentContact SG-SG 2.04Å; C588-C616 PolarHBondContact SG-SG 3.05Å
589K60.7Low64.4Low146 Ų14698.7 Ų98.764%0.63553%0.525SS*.  trans-59.7140.9174.5-74.1-173.9168.3-155.20110.8E593K589-E593 IonicContact NZ-OE2 2.72Å; K589-E593 PolarHBondContact NZ-OE2 2.9Å
590H56.8Low63.7Low146 Ų14699.7 Ų99.768%0.67653%0.533SS*.  trans-58.3140.7-178.6-145.2-95.2000110.4S592 E593H590-S592 PolarHBondContact O-N 3.38Å; H590-E593 PolarHBondContact O-N 3.35Å; H590-E593 VanDerWaalsContact O-N 3.13Å
591P55.1Low63.2Low65 Ų65104.8 Ų104.842%0.42255%0.553SS.*G310 helixtrans-56.4-16.9-172.3-2733.1000115.9E593P591-E593 VanDerWaalsContact C-N 3.29Å; P591-E593 PolarHBondContact O-N 3.12Å
592S59.8Low62.5Low105 Ų105100.7 Ų100.773%0.73454%0.539SS*.G310 helixtrans-74.2-11.7-179.946.70000114.5H590H590-S592 PolarHBondContact O-N 3.38Å
593E57.4Low61.9Low134 Ų13497.3 Ų97.363%0.62652%0.522SS*.G310 helixtrans-96.1-6.4175.5-68.3-166.9174.500114K589 H590 P591 S595K589-E593 IonicContact NZ-OE2 2.72Å; K589-E593 PolarHBondContact NZ-OE2 2.9Å; H590-E593 PolarHBondContact O-N 3.35Å; H590-E593 VanDerWaalsContact O-N 3.13Å; P591-E593 VanDerWaalsContact C-N 3.29Å; P591-E593 PolarHBondContact O-N 3.12Å; E593-S595 PolarHBondContact O-N 3.21Å
594L56.8Low61.9Low77 Ų7799.6 Ų99.640%0.40354%0.536SS..  trans-81.5108-179.7-80.895.8000111S596 I599L594-S596 PolarHBondContact O-N 3.06Å; L594-I599 HydrophobicContact CB-CD1 4.13Å; L594-I599 HydrophobicContact CB-CG1 4.38Å; L594-I599 HydrophobicContact CD2-CD1 4.3Å; L594-I599 HydrophobicContact CD2-CG1 3.98Å
595S61.6Low61.9Low64 Ų6497.2 Ų97.245%0.44852%0.522SS..  trans-59.4136.5169.684.10000110.3E593 W597 S598 I599E593-S595 PolarHBondContact O-N 3.21Å; S595-W597 PolarHBondContact O-N 3.44Å; S595-W597 VanDerWaalsContact O-N 3.1Å; S595-S598 PolarHBondContact O-N 2.88Å; S595-S598 PolarHBondContact O-OG 3.02Å; S595-S598 WeakPolarHBondContact OG-CB 3.31Å; S595-S598 PolarHBondContact OG-N 3.05Å; S595-S598 VanDerWaalsContact OG-N 3.16Å; S595-S598 PolarHBondContact OG-OG 3.27Å; S595-I599 PolarHBondContact O-N 3.18Å
596S65Low61.8Low102 Ų10294.7 Ų94.771%0.71351%0.505SS*.Hα-helixtrans-57.2-29.6178.5-51.30000112.9L594 L600L594-S596 PolarHBondContact O-N 3.06Å; S596-L600 PolarHBondContact O-N 2.95Å
597W63.7Low61.8Low206 Ų20693.6 Ų93.678%0.7850%0.498SS*.Hα-helixtrans-71.4-31.4177.6-79.7101.4000113.9S595 L600 K601S595-W597 PolarHBondContact O-N 3.44Å; S595-W597 VanDerWaalsContact O-N 3.1Å; W597-L600 HydrophobicContact CE3-CD2 4.29Å; W597-L600 HydrophobicContact CZ3-CD2 4.15Å; W597-L600 PolarHBondContact O-N 3.44Å; W597-K601 PolarHBondContact O-N 2.99Å; W597-K601 VanDerWaalsContact O-N 3.1Å
598S63.5Low61.7Low57 Ų5797.2 Ų97.240%0.39950%0.503SS..Hα-helixtrans-72.6-33.2176.853.20000112.1S595 K601 S602S595-S598 PolarHBondContact O-N 2.88Å; S595-S598 PolarHBondContact O-OG 3.02Å; S595-S598 WeakPolarHBondContact OG-CB 3.31Å; S595-S598 PolarHBondContact OG-N 3.05Å; S595-S598 VanDerWaalsContact OG-N 3.16Å; S595-S598 PolarHBondContact OG-OG 3.27Å; S598-K601 PolarHBondContact O-N 2.7Å; S598-S602 PolarHBondContact O-N 2.83Å; S598-S602 VanDerWaalsContact O-N 3.17Å
599I62.4Low61Low64 Ų6499.9 Ų99.933%0.32853%0.533SS..Hα-helixtrans-66.5-40.5173.4-60170.6000110.9L594 S595 K601 S602 Y603L594-I599 HydrophobicContact CB-CD1 4.13Å; L594-I599 HydrophobicContact CB-CG1 4.38Å; L594-I599 HydrophobicContact CD2-CD1 4.3Å; L594-I599 HydrophobicContact CD2-CG1 3.98Å; S595-I599 PolarHBondContact O-N 3.18Å; I599-K601 VanDerWaalsContact C-N 3.35Å; I599-S602 PolarHBondContact O-OG 3.18Å; I599-Y603 HydrophobicContact CG2-CD2 4.25Å; I599-Y603 PolarHBondContact O-N 2.89Å; I599-Y603 VanDerWaalsContact O-N 3.13Å
600L66.3Low60.3Low98 Ų9897.1 Ų97.151%0.51354%0.537SS..Hα-helixtrans-65.3-40.4177-160.784.7000111.2S596 W597 S602 Y603 V604S596-L600 PolarHBondContact O-N 2.95Å; W597-L600 HydrophobicContact CE3-CD2 4.29Å; W597-L600 HydrophobicContact CZ3-CD2 4.15Å; W597-L600 PolarHBondContact O-N 3.44Å; L600-S602 PolarHBondContact O-N 3.38Å; L600-Y603 PolarHBondContact O-N 2.87Å; L600-V604 WeakPolarHBondContact O-CG2 3.49Å; L600-V604 PolarHBondContact O-N 2.82Å
601K67.9Low60Low170 Ų17094.7 Ų94.774%0.73953%0.533SS*.Hα-helixtrans-65.5-37.7-179.9-162.8176.7-177-179.30112.5W597 S598 I599 G605W597-K601 PolarHBondContact O-N 2.99Å; W597-K601 VanDerWaalsContact O-N 3.1Å; S598-K601 PolarHBondContact O-N 2.7Å; I599-K601 VanDerWaalsContact C-N 3.35Å; K601-G605 PolarHBondContact O-N 3.02Å
602S61.4Low60Low38 Ų38100.4 Ų100.427%0.26655%0.554SS.*Hα-helixtrans-70.9-40.9175.665.50000112S598 I599 L600 V604 G605 D606S598-S602 PolarHBondContact O-N 2.83Å; S598-S602 VanDerWaalsContact O-N 3.17Å; I599-S602 PolarHBondContact O-OG 3.18Å; L600-S602 PolarHBondContact O-N 3.38Å; S602-V604 VanDerWaalsContact C-N 3.32Å; S602-V604 PolarHBondContact O-N 2.79Å; S602-G605 WeakPolarHBondContact O-CA 3.45Å; S602-G605 PolarHBondContact O-N 2.91Å; S602-G605 VanDerWaalsContact O-N 3.1Å; S602-D606 PolarHBondContact O-N 2.82Å
603Y62.6Low59.9Low108 Ų108100.7 Ų100.742%0.42455%0.547SS..Hα-helixtrans-60.6-39.8175-107-84.8000112.9I599 L600 I607 F617I599-Y603 HydrophobicContact CG2-CD2 4.25Å; I599-Y603 PolarHBondContact O-N 2.89Å; I599-Y603 VanDerWaalsContact O-N 3.13Å; L600-Y603 PolarHBondContact O-N 2.87Å; Y603-I607 WeakPolarHBondContact O-CG1 3.47Å; Y603-I607 PolarHBondContact O-N 2.75Å; Y603-F617 HydrophobicContact CD2-CE2 4.08Å; Y603-F617 AromaticContact CD2-CZ 3.94Å; Y603-F617 HydrophobicContact CD2-CZ 3.94Å; Y603-F617 AromaticContact CE2-CE2 3.89Å; Y603-F617 HydrophobicContact CE2-CE2 3.89Å; Y603-F617 AromaticContact CE2-CZ 3.7Å; Y603-F617 HydrophobicContact CE2-CZ 3.7Å
604V67.6Low60.4Low73 Ų7399.4 Ų99.444%0.44254%0.544SS..Hα-helixtrans-70.2-36.3174.8176.10000110.9L600 S602 I607 F608L600-V604 WeakPolarHBondContact O-CG2 3.49Å; L600-V604 PolarHBondContact O-N 2.82Å; S602-V604 VanDerWaalsContact C-N 3.32Å; S602-V604 PolarHBondContact O-N 2.79Å; V604-I607 PolarHBondContact O-N 2.9Å; V604-F608 HydrophobicContact CG1-CD2 4.16Å; V604-F608 HydrophobicContact CG1-CE2 4.15Å; V604-F608 WeakPolarHBondContact O-CD2 3.38Å; V604-F608 PolarHBondContact O-N 3.48Å
605G62.7Low61.1Low19 Ų1999.8 Ų99.820%0.19655%0.551CS.*Hα-helixtrans-60.8-42.1174.800000113.8K601 S602 I607 F608 G609K601-G605 PolarHBondContact O-N 3.02Å; S602-G605 WeakPolarHBondContact O-CA 3.45Å; S602-G605 PolarHBondContact O-N 2.91Å; S602-G605 VanDerWaalsContact O-N 3.1Å; G605-I607 VanDerWaalsContact C-N 3.3Å; G605-I607 PolarHBondContact O-N 3Å; G605-F608 CarbonylContact O-C 3.58Å; G605-F608 PolarHBondContact O-N 3.42Å; G605-F608 VanDerWaalsContact O-N 3.16Å; G605-G609 PolarHBondContact O-N 2.93Å; G605-G609 VanDerWaalsContact O-N 3.14Å
606D57.8Low61.8Low55 Ų5598.4 Ų98.429%0.29454%0.541SS..Hα-helixtrans-63.2-35.1177-83.46.2000112.4S602 F608 G609 F617S602-D606 PolarHBondContact O-N 2.82Å; D606-F608 VanDerWaalsContact C-N 3.26Å; D606-F608 PolarHBondContact O-N 2.91Å; D606-G609 PolarHBondContact O-N 3.46Å; D606-F617 WeakPolarHBondContact OD2-CE1 3.39Å
607I60.3Low62.3Low132 Ų13295.3 Ų95.368%0.67752%0.515SS*.Hα-helixtrans-66.2-32177.3-66.2168.5000111Y603 V604 G605Y603-I607 WeakPolarHBondContact O-CG1 3.47Å; Y603-I607 PolarHBondContact O-N 2.75Å; V604-I607 PolarHBondContact O-N 2.9Å; G605-I607 VanDerWaalsContact C-N 3.3Å; G605-I607 PolarHBondContact O-N 3Å
608F59.6Low62.9Low165 Ų16586.8 Ų86.872%0.72449%0.489SS*.THydrogen-bonded Turntrans-95.46.5178.5-71.6-74.9000114.1V604 G605 D606 A610V604-F608 HydrophobicContact CG1-CD2 4.16Å; V604-F608 HydrophobicContact CG1-CE2 4.15Å; V604-F608 WeakPolarHBondContact O-CD2 3.38Å; V604-F608 PolarHBondContact O-N 3.48Å; G605-F608 CarbonylContact O-C 3.58Å; G605-F608 PolarHBondContact O-N 3.42Å; G605-F608 VanDerWaalsContact O-N 3.16Å; D606-F608 VanDerWaalsContact C-N 3.26Å; D606-F608 PolarHBondContact O-N 2.91Å; F608-A610 VanDerWaalsContact C-N 3.35Å; F608-A610 PolarHBondContact O-N 3.14Å
609G51.3Low63.7Low73 Ų7384.7 Ų84.775%0.75347%0.473SS*.THydrogen-bonded Turntrans67.820.4163.800000116.8G605 D606G605-G609 PolarHBondContact O-N 2.93Å; G605-G609 VanDerWaalsContact O-N 3.14Å; D606-G609 PolarHBondContact O-N 3.46Å
610A47.6Very low64.5Low88 Ų8883 Ų8373%0.72746%0.464SS*.  trans-119.29.6-166.700000116.4F608F608-A610 VanDerWaalsContact C-N 3.35Å; F608-A610 PolarHBondContact O-N 3.14Å
611V49.6Very low65.3Low95 Ų9582.6 Ų82.658%0.57646%0.458SS*.SBendtrans-130.1129-177.2-174.60000110.5D613V611-D613 PolarHBondContact O-N 3.23Å
612Q55.2Low65.9Low185 Ų18575 Ų7586%0.86443%0.427SS*.  trans-55.8123.1172.2-115.5160.5-20.600109D614Q612-D614 PolarHBondContact O-N 3.47Å
613D57.3Low66.8Low112 Ų11278.2 Ų78.260%0.59944%0.439SS*.  trans-51.5112.5178.9-74.1-51.4000110.1V611 P615V611-D613 PolarHBondContact O-N 3.23Å; D613-P615 WeakPolarHBondContact O-CD 3.05Å; D613-P615 VanDerWaalsContact O-N 3.15Å
614D67.7Low67.6Low106 Ų10680.5 Ų80.557%0.56745%0.451SS*.  trans-57121.8170.5-86.1-33.5000107.7Q612 C616 F617 A618Q612-D614 PolarHBondContact O-N 3.47Å; D614-C616 PolarHBondContact O-N 2.91Å; D614-F617 HydrophobicContact CB-CB 3.94Å; D614-F617 WeakPolarHBondContact O-CA 3.14Å; D614-F617 WeakPolarHBondContact O-CB 3.26Å; D614-F617 PolarHBondContact O-N 2.73Å; D614-A618 PolarHBondContact O-N 2.83Å
615P72.4Confident68.3Low85 Ų8579.4 Ų79.455%0.55244%0.444SS*.Hα-helixtrans-58-29.6-176.321.2-32000111.4V583 D613 F619V583-P615 HydrophobicContact CG2-CB 3.86Å; D613-P615 WeakPolarHBondContact O-CD 3.05Å; D613-P615 VanDerWaalsContact O-N 3.15Å; P615-F619 WeakPolarHBondContact O-CB 3.26Å; P615-F619 PolarHBondContact O-N 3.12Å
616C76Confident69.3Low35 Ų3583.7 Ų83.724%0.23646%0.463CS..Hα-helixtrans-72.8-34.4175.5-158.60000113.7C588 D614 F619 H620C588-C616 WeakPolarHBondContact CA-SG 3.36Å; C588-C616 HydrophobicContact CB-CB 4.37Å; C588-C616 WeakPolarHBondContact CB-SG 3.46Å; C588-C616 WeakPolarHBondContact SG-CA 3.48Å; C588-C616 WeakPolarHBondContact SG-CB 3.4Å; C588-C616 CovalentContact SG-SG 2.04Å; C588-C616 PolarHBondContact SG-SG 3.05Å; D614-C616 PolarHBondContact O-N 2.91Å; C616-F619 PolarHBondContact O-N 2.81Å; C616-H620 PolarHBondContact O-CD2 3.21Å; C616-H620 PolarHBondContact O-N 3.28Å
617F75.4Confident70.7Confident37 Ų3782 Ų8216%0.16245%0.454CS..Hα-helixtrans-67-43.4172.2177.7-105.8000110.8Y603 D606 D614 F619 H620 K621Y603-F617 HydrophobicContact CD2-CE2 4.08Å; Y603-F617 AromaticContact CD2-CZ 3.94Å; Y603-F617 HydrophobicContact CD2-CZ 3.94Å; Y603-F617 AromaticContact CE2-CE2 3.89Å; Y603-F617 HydrophobicContact CE2-CE2 3.89Å; Y603-F617 AromaticContact CE2-CZ 3.7Å; Y603-F617 HydrophobicContact CE2-CZ 3.7Å; D606-F617 WeakPolarHBondContact OD2-CE1 3.39Å; D614-F617 HydrophobicContact CB-CB 3.94Å; D614-F617 WeakPolarHBondContact O-CA 3.14Å; D614-F617 WeakPolarHBondContact O-CB 3.26Å; D614-F617 PolarHBondContact O-N 2.73Å; F617-F619 VanDerWaalsContact C-N 3.29Å; F617-F619 PolarHBondContact O-N 3.3Å; F617-H620 PolarHBondContact O-N 3.33Å; F617-K621 HydrophobicContact CE1-CD 4.13Å; F617-K621 WeakPolarHBondContact O-CB 3.28Å; F617-K621 PolarHBondContact O-N 3.3Å
618A76.2Confident72Confident28 Ų2880 Ų8023%0.23144%0.441CS..Hα-helixtrans-59.7-40.317500000111.9D614 A622D614-A618 PolarHBondContact O-N 2.83Å; A618-A622 WeakPolarHBondContact O-CB 3.12Å; A618-A622 PolarHBondContact O-N 2.89Å
619F81.4Confident73.3Confident13 Ų1381.7 Ų81.76%0.05744%0.443CS..Hα-helixtrans-62.5-51174.3-179-99.7000112.1M580 V583 V585 P615 C616 F617 K621 A622 M623M580-F619 HydrophobicContact CB-CD2 4.39Å; M580-F619 HydrophobicContact CB-CE2 4.15Å; M580-F619 HydrophobicContact CG-CD2 4.44Å; M580-F619 HydrophobicContact CG-CE2 4.35Å; M580-F619 WeakPolarHBondContact O-CE2 3.36Å; V583-F619 HydrophobicContact CB-CB 4.38Å; V583-F619 HydrophobicContact CB-CD2 4.16Å; V583-F619 HydrophobicContact CB-CG 4.45Å; V585-F619 HydrophobicContact CG2-CZ 4.22Å; P615-F619 WeakPolarHBondContact O-CB 3.26Å; P615-F619 PolarHBondContact O-N 3.12Å; C616-F619 PolarHBondContact O-N 2.81Å; F617-F619 VanDerWaalsContact C-N 3.29Å; F617-F619 PolarHBondContact O-N 3.3Å; F619-K621 PolarHBondContact O-N 3.26Å; F619-A622 PolarHBondContact O-N 3.44Å; F619-M623 HydrophobicContact CD1-CE 4.05Å; F619-M623 HydrophobicContact CE1-CE 3.2Å; F619-M623 HydrophobicContact CZ-CE 3.47Å; F619-M623 VanDerWaalsContact CZ-CE 3.47Å; F619-M623 WeakPolarHBondContact O-CB 3.16Å; F619-M623 PolarHBondContact O-N 3.33Å
620H78.6Confident74.8Confident29 Ų2980.9 Ų80.913%0.13442%0.419CS..Hα-helixtrans-67.7-33179.1-75.4-56.2000113.6C616 F617 M623 K624C616-H620 PolarHBondContact O-CD2 3.21Å; C616-H620 PolarHBondContact O-N 3.28Å; F617-H620 PolarHBondContact O-N 3.33Å; H620-M623 PolarHBondContact O-N 2.77Å; H620-K624 WeakPolarHBondContact O-CB 3.47Å; H620-K624 PolarHBondContact O-N 3.22Å
621K82Confident76.8Confident89 Ų8977 Ų7739%0.38739%0.387SS..Hα-helixtrans-64.9-44.1173.5-177.6177.2-177.7173.40111F617 F619 M623 V625F617-K621 HydrophobicContact CE1-CD 4.13Å; F617-K621 WeakPolarHBondContact O-CB 3.28Å; F617-K621 PolarHBondContact O-N 3.3Å; F619-K621 PolarHBondContact O-N 3.26Å; K621-M623 VanDerWaalsContact C-N 3.28Å; K621-M623 PolarHBondContact O-N 3.12Å; K621-V625 HydrophobicContact CG-CG2 4.33Å; K621-V625 WeakPolarHBondContact O-CB 3.24Å; K621-V625 WeakPolarHBondContact O-CG2 3.45Å; K621-V625 PolarHBondContact O-N 3.32Å; K621-V625 VanDerWaalsContact O-N 3.16Å
622A82Confident78.8Confident11 Ų1179.3 Ų79.39%0.09139%0.389CS..Hα-helixtrans-65.9-30.8175.900000112.7K579 M580 A618 F619K579-A622 HydrophobicContact CB-CB 3.9Å; M580-A622 HydrophobicContact CG-CB 4.02Å; A618-A622 WeakPolarHBondContact O-CB 3.12Å; A618-A622 PolarHBondContact O-N 2.89Å; F619-A622 PolarHBondContact O-N 3.44Å
623M79.8Confident80.5Confident105 Ų10574.2 Ų74.252%0.51737%0.372SS..Hα-helixtrans-78.8-37.3178.8-172.1-170.2-69.600113.5F619 H620 K621F619-M623 HydrophobicContact CD1-CE 4.05Å; F619-M623 HydrophobicContact CE1-CE 3.2Å; F619-M623 HydrophobicContact CZ-CE 3.47Å; F619-M623 VanDerWaalsContact CZ-CE 3.47Å; F619-M623 WeakPolarHBondContact O-CB 3.16Å; F619-M623 PolarHBondContact O-N 3.33Å; H620-M623 PolarHBondContact O-N 2.77Å; K621-M623 VanDerWaalsContact C-N 3.28Å; K621-M623 PolarHBondContact O-N 3.12Å
624K78.7Confident82.2Confident156 Ų15675.6 Ų75.668%0.67838%0.378SS*.Hα-helixtrans-94.9-25.3-172.4-72.5-172.2176.2-177.30115.1H620H620-K624 WeakPolarHBondContact O-CB 3.47Å; H620-K624 PolarHBondContact O-N 3.22Å
625V82.3Confident83.3Confident50 Ų5075.4 Ų75.430%0.30337%0.374SS..SBendtrans-97.5113.6-173.7-177.90000109.7K621 P627 Q630K621-V625 HydrophobicContact CG-CG2 4.33Å; K621-V625 WeakPolarHBondContact O-CB 3.24Å; K621-V625 WeakPolarHBondContact O-CG2 3.45Å; K621-V625 PolarHBondContact O-N 3.32Å; K621-V625 VanDerWaalsContact O-N 3.16Å; V625-P627 WeakPolarHBondContact O-CD 3.36Å; V625-Q630 HydrophobicContact CG1-CG 4.12Å
626D84Confident84.4Confident109 Ų10971.4 Ų71.458%0.58335%0.348SS*.  trans-55.5124.3173.1-81.5-50.6000110.9F628 W629D626-F628 PolarHBondContact O-N 3.38Å; D626-W629 PolarHBondContact O-N 3.22Å
627P87.5Confident85.2Confident18 Ų1872.8 Ų72.812%0.11735%0.353CS..G310 helixtrans-57.4-22.6-179-28.236.4000114Y569 K572 V573 V625 W629 Q630Y569-P627 HydrophobicContact CE2-CB 4.2Å; K572-P627 HydrophobicContact CB-CB 4.12Å; V573-P627 HydrophobicContact CG2-CB 3.81Å; V573-P627 HydrophobicContact CG2-CG 3.94Å; V625-P627 WeakPolarHBondContact O-CD 3.36Å; P627-W629 VanDerWaalsContact C-N 3.32Å; P627-W629 PolarHBondContact O-N 3.45Å; P627-Q630 WeakPolarHBondContact O-CB 3.32Å; P627-Q630 PolarHBondContact O-N 3.23Å; P627-Q630 VanDerWaalsContact O-N 3.09Å
628F87.8Confident86Confident92 Ų9273.9 Ų73.940%0.40437%0.369SS..G310 helixtrans-56.1-43.3177.3-176.2-96.6000112.6W565 Y569 D626 Q630 V631W565-F628 HydrophobicContact CZ2-CE2 4.22Å; W565-F628 HydrophobicContact CZ2-CZ 4.13Å; W565-F628 AromaticContact NE1-CE2 3.56Å; Y569-F628 HydrophobicContact CD2-CB 4.25Å; Y569-F628 HydrophobicContact CD2-CD2 4.39Å; Y569-F628 HydrophobicContact CE2-CB 3.98Å; D626-F628 PolarHBondContact O-N 3.38Å; F628-Q630 VanDerWaalsContact C-N 3.25Å; F628-Q630 PolarHBondContact O-N 3.15Å; F628-V631 PolarHBondContact O-N 3.4Å
629W85.9Confident86.8Confident199 Ų19974.9 Ų74.975%0.75437%0.37SS*.G310 helixtrans-77.6-10.4-179.8-61.2111.2000113.5D626 P627 V631D626-W629 PolarHBondContact O-N 3.22Å; P627-W629 VanDerWaalsContact C-N 3.32Å; P627-W629 PolarHBondContact O-N 3.45Å; W629-V631 VanDerWaalsContact C-N 3.32Å
630Q83.8Confident87.4Confident56 Ų5674.2 Ų74.226%0.26237%0.367SS..G310 helixtrans-81.4-15.5173.7-58-17525.800112.3K572 V625 P627 F628 K632K572-Q630 HydrophobicContact CD-CB 4.4Å; V625-Q630 HydrophobicContact CG1-CG 4.12Å; P627-Q630 WeakPolarHBondContact O-CB 3.32Å; P627-Q630 PolarHBondContact O-N 3.23Å; P627-Q630 VanDerWaalsContact O-N 3.09Å; F628-Q630 VanDerWaalsContact C-N 3.25Å; F628-Q630 PolarHBondContact O-N 3.15Å; Q630-K632 PolarHBondContact O-N 3.4Å
631V90.3Very high88Confident8 Ų876.5 Ų76.55%0.04838%0.379CS..SBendtrans-81.5112.9178-177.90000109.5W565 V568 K572 F628 W629 P633 V636W565-V631 HydrophobicContact CD2-CG1 4.34Å; W565-V631 HydrophobicContact CZ2-CB 4.49Å; W565-V631 HydrophobicContact CZ2-CG1 4.26Å; V568-V631 HydrophobicContact CB-CG1 4.41Å; V568-V631 HydrophobicContact CG1-CG1 3.88Å; V568-V631 HydrophobicContact CG1-CG2 4.23Å; K572-V631 HydrophobicContact CB-CG2 4.46Å; K572-V631 HydrophobicContact CG-CG2 4.1Å; F628-V631 PolarHBondContact O-N 3.4Å; W629-V631 VanDerWaalsContact C-N 3.32Å; V631-P633 WeakPolarHBondContact O-CD 3.48Å; V631-V636 HydrophobicContact CG1-CG2 3.31Å
632K91.1Very high88.3Confident142 Ų14274.3 Ų74.362%0.61738%0.378SS*.  trans-79.3118.9179.3-66.3179.1-177.6177.20110.1Q630 L634 Q635 V636Q630-K632 PolarHBondContact O-N 3.4Å; K632-L634 VanDerWaalsContact C-N 3.28Å; K632-L634 PolarHBondContact O-N 3.16Å; K632-Q635 HydrophobicContact CB-CB 3.96Å; K632-Q635 WeakPolarHBondContact O-CB 3.22Å; K632-Q635 PolarHBondContact O-N 3.18Å; K632-V636 PolarHBondContact O-N 2.8Å; K632-V636 VanDerWaalsContact O-N 3.11Å
633P91.3Very high88.7Confident78 Ų7877.3 Ų77.351%0.50639%0.39SS..Hα-helixtrans-56.3-39.9-176.3-20.124.3000113.9W565 V631 Q635 V636 L637W565-P633 HydrophobicContact CH2-CB 3.94Å; W565-P633 HydrophobicContact CH2-CG 3.85Å; W565-P633 HydrophobicContact CZ3-CB 3.75Å; W565-P633 HydrophobicContact CZ3-CG 4.19Å; V631-P633 WeakPolarHBondContact O-CD 3.48Å; P633-Q635 VanDerWaalsContact C-N 3.32Å; P633-Q635 PolarHBondContact O-N 3.19Å; P633-V636 PolarHBondContact O-N 3.5Å; P633-L637 WeakPolarHBondContact O-CB 3.07Å; P633-L637 PolarHBondContact O-N 3.32Å
634L91.7Very high89.1Confident141 Ų14174.3 Ų74.374%0.73837%0.374SS*.Hα-helixtrans-67.2-33.9-179.9-16188000112.2K632 L637 A638K632-L634 VanDerWaalsContact C-N 3.28Å; K632-L634 PolarHBondContact O-N 3.16Å; L634-L637 PolarHBondContact O-N 3Å; L634-A638 WeakPolarHBondContact O-CB 3.38Å; L634-A638 PolarHBondContact O-N 3.04Å
635Q92.2Very high89.4Confident103 Ų10372.6 Ų72.648%0.48137%0.367SS..Hα-helixtrans-68.9-44.3175.6-177.8-178.7-6.700110.2K632 P633 L637 A638 I639K632-Q635 HydrophobicContact CB-CB 3.96Å; K632-Q635 WeakPolarHBondContact O-CB 3.22Å; K632-Q635 PolarHBondContact O-N 3.18Å; P633-Q635 VanDerWaalsContact C-N 3.32Å; P633-Q635 PolarHBondContact O-N 3.19Å; Q635-L637 VanDerWaalsContact C-N 3.32Å; Q635-L637 PolarHBondContact O-N 3.17Å; Q635-A638 PolarHBondContact O-N 3.4Å; Q635-I639 HydrophobicContact CG-CD1 3.96Å; Q635-I639 VanDerWaalsContact O-CG1 3.28Å; Q635-I639 WeakPolarHBondContact O-CG1 3.45Å; Q635-I639 PolarHBondContact O-N 2.77Å
636V93.5Very high89.6Confident1 Ų175.5 Ų75.51%0.00638%0.38CS..Hα-helixtrans-59.3-45.6174.5-179.80000110.2F561 T564 W565 V568 V631 K632 P633 A638 I639 T640F561-V636 HydrophobicContact CD2-CG1 4.24Å; F561-V636 HydrophobicContact CE2-CB 4.31Å; F561-V636 HydrophobicContact CE2-CG1 3.91Å; F561-V636 HydrophobicContact CZ-CG1 4.31Å; T564-V636 HydrophobicContact CG2-CG1 4.11Å; W565-V636 HydrophobicContact CB-CG1 3.91Å; W565-V636 HydrophobicContact CD2-CG1 4.42Å; W565-V636 HydrophobicContact CD2-CG2 4.31Å; W565-V636 HydrophobicContact CE3-CB 4.02Å; W565-V636 HydrophobicContact CE3-CG1 3.9Å; W565-V636 HydrophobicContact CE3-CG2 3.99Å; W565-V636 HydrophobicContact CG-CG1 4.49Å; W565-V636 HydrophobicContact CZ3-CG2 4.48Å; V568-V636 HydrophobicContact CB-CG2 4.46Å; V568-V636 HydrophobicContact CG1-CG2 4.47Å; V631-V636 HydrophobicContact CG1-CG2 3.31Å; K632-V636 PolarHBondContact O-N 2.8Å; K632-V636 VanDerWaalsContact O-N 3.11Å; P633-V636 PolarHBondContact O-N 3.5Å; V636-A638 PolarHBondContact O-N 2.71Å; V636-I639 PolarHBondContact O-N 3.43Å; V636-T640 WeakPolarHBondContact O-CB 3.38Å; V636-T640 PolarHBondContact O-N 3.01Å; V636-T640 PolarHBondContact O-OG1 2.79Å
637L93.7Very high89.6Confident64 Ų6476 Ų7634%0.33538%0.379SS..Hα-helixtrans-58.6-44.8177.4-176.166000112.4F557 F561 P633 L634 Q635 T640 I641F557-L637 HydrophobicContact CE1-CD1 4.23Å; F557-L637 HydrophobicContact CZ-CD1 3.88Å; F561-L637 HydrophobicContact CD2-CD1 4.16Å; F561-L637 HydrophobicContact CE2-CB 3.99Å; F561-L637 HydrophobicContact CE2-CD1 4.09Å; P633-L637 WeakPolarHBondContact O-CB 3.07Å; P633-L637 PolarHBondContact O-N 3.32Å; L634-L637 PolarHBondContact O-N 3Å; Q635-L637 VanDerWaalsContact C-N 3.32Å; Q635-L637 PolarHBondContact O-N 3.17Å; L637-T640 PolarHBondContact O-N 3.45Å; L637-I641 HydrophobicContact CD1-CD1 4.2Å; L637-I641 HydrophobicContact CD1-CG1 4.47Å; L637-I641 HydrophobicContact CG-CD1 3.95Å; L637-I641 WeakPolarHBondContact O-CB 3.33Å; L637-I641 VanDerWaalsContact O-CG1 3.24Å; L637-I641 WeakPolarHBondContact O-CG1 3.24Å; L637-I641 PolarHBondContact O-N 3.12Å
638A93.3Very high89.5Confident60 Ų6078.9 Ų78.950%0.49640%0.397SS..Hα-helixtrans-63.8-41.6178.500000112.2L634 Q635 V636 A642L634-A638 WeakPolarHBondContact O-CB 3.38Å; L634-A638 PolarHBondContact O-N 3.04Å; Q635-A638 PolarHBondContact O-N 3.4Å; V636-A638 PolarHBondContact O-N 2.71Å; A638-A642 WeakPolarHBondContact O-CB 3.5Å; A638-A642 PolarHBondContact O-N 2.87Å
639I92.2Very high89.3Confident48 Ų4880.5 Ų80.525%0.24641%0.408CS..Hα-helixtrans-65-47.9175.7-64.9166.3000109.9T564 V568 Q635 V636 I641 A642 E643T564-I639 HydrophobicContact CG2-CB 4.03Å; T564-I639 HydrophobicContact CG2-CG2 3.56Å; V568-I639 HydrophobicContact CG2-CD1 4.29Å; Q635-I639 HydrophobicContact CG-CD1 3.96Å; Q635-I639 VanDerWaalsContact O-CG1 3.28Å; Q635-I639 WeakPolarHBondContact O-CG1 3.45Å; Q635-I639 PolarHBondContact O-N 2.77Å; V636-I639 PolarHBondContact O-N 3.43Å; I639-I641 VanDerWaalsContact C-N 3.33Å; I639-I641 PolarHBondContact O-N 2.93Å; I639-A642 WeakPolarHBondContact O-CB 3.37Å; I639-A642 PolarHBondContact O-N 3.24Å; I639-A642 VanDerWaalsContact O-N 3.11Å; I639-E643 VanDerWaalsContact CG2-CD 3.5Å; I639-E643 HydrophobicContact CG2-CG 4.13Å; I639-E643 VanDerWaalsContact CG2-OE1 3.29Å; I639-E643 WeakPolarHBondContact CG2-OE1 3.28Å; I639-E643 WeakPolarHBondContact O-CB 3.3Å; I639-E643 WeakPolarHBondContact O-CG 3.3Å; I639-E643 PolarHBondContact O-N 2.75Å
640T93Very high89.3Confident0 Ų078.1 Ų78.10%041%0.405CS..Hα-helixtrans-59.9-41.4178.1-55.90000111.9F557 F561 T564 V636 L637 F644F557-T640 HydrophobicContact CD2-CG2 4.42Å; F557-T640 HydrophobicContact CE2-CG2 4.01Å; F557-T640 HydrophobicContact CZ-CG2 4.31Å; F561-T640 HydrophobicContact CB-CG2 4.05Å; F561-T640 HydrophobicContact CD2-CG2 4.46Å; T564-T640 WeakPolarHBondContact CB-OG1 3.3Å; T564-T640 WeakPolarHBondContact CG2-OG1 3.5Å; T564-T640 PolarHBondContact OG1-OG1 2.88Å; V636-T640 WeakPolarHBondContact O-CB 3.38Å; V636-T640 PolarHBondContact O-N 3.01Å; V636-T640 PolarHBondContact O-OG1 2.79Å; L637-T640 PolarHBondContact O-N 3.45Å; T640-F644 WeakPolarHBondContact O-CB 3.37Å; T640-F644 PolarHBondContact O-N 3.02Å
641I91.2Very high89.3Confident76 Ų7679.3 Ų79.339%0.3942%0.416SS..Hα-helixtrans-63.3-45.6175.6-69.5167.1000110.2F557 L637 I639 F645F557-I641 HydrophobicContact CE2-CG1 3.85Å; F557-I641 HydrophobicContact CZ-CG1 3.87Å; L637-I641 HydrophobicContact CD1-CD1 4.2Å; L637-I641 HydrophobicContact CD1-CG1 4.47Å; L637-I641 HydrophobicContact CG-CD1 3.95Å; L637-I641 WeakPolarHBondContact O-CB 3.33Å; L637-I641 VanDerWaalsContact O-CG1 3.24Å; L637-I641 WeakPolarHBondContact O-CG1 3.24Å; L637-I641 PolarHBondContact O-N 3.12Å; I639-I641 VanDerWaalsContact C-N 3.33Å; I639-I641 PolarHBondContact O-N 2.93Å; I641-F645 HydrophobicContact CG2-CD2 4.02Å; I641-F645 HydrophobicContact CG2-CE2 4.37Å; I641-F645 WeakPolarHBondContact O-CD2 3.39Å; I641-F645 PolarHBondContact O-N 2.82Å
642A90Very high88.9Confident43 Ų4384.7 Ų84.736%0.35544%0.444SS..Hα-helixtrans-61.1-49.817800000111.5A638 I639 L646A638-A642 WeakPolarHBondContact O-CB 3.5Å; A638-A642 PolarHBondContact O-N 2.87Å; I639-A642 WeakPolarHBondContact O-CB 3.37Å; I639-A642 PolarHBondContact O-N 3.24Å; I639-A642 VanDerWaalsContact O-N 3.11Å; A642-L646 HydrophobicContact CB-CD1 4.22Å; A642-L646 WeakPolarHBondContact O-CA 3.43Å; A642-L646 WeakPolarHBondContact O-CB 3.27Å; A642-L646 WeakPolarHBondContact O-CG 3.43Å; A642-L646 PolarHBondContact O-N 3.28Å
643E88.7Confident88.7Confident75 Ų7579.7 Ų79.735%0.3543%0.433SS..Hα-helixtrans-65.2-47.2179.8-70.8174172.200111.7T564 I639 F645 E647 P648T564-E643 PolarHBondContact OG1-OE2 3.44Å; T564-E643 VanDerWaalsContact OG1-OE2 3.11Å; I639-E643 VanDerWaalsContact CG2-CD 3.5Å; I639-E643 HydrophobicContact CG2-CG 4.13Å; I639-E643 VanDerWaalsContact CG2-OE1 3.29Å; I639-E643 WeakPolarHBondContact CG2-OE1 3.28Å; I639-E643 WeakPolarHBondContact O-CB 3.3Å; I639-E643 WeakPolarHBondContact O-CG 3.3Å; I639-E643 PolarHBondContact O-N 2.75Å; E643-F645 VanDerWaalsContact C-N 3.31Å; E643-F645 PolarHBondContact O-N 3.39Å; E643-E647 WeakPolarHBondContact O-CB 3.39Å; E643-E647 PolarHBondContact O-N 3.01Å; E643-E647 VanDerWaalsContact O-N 3.11Å; E643-P648 VanDerWaalsContact O-CD 3.31Å; E643-P648 WeakPolarHBondContact O-CD 3.15Å
644F88.3Confident88.4Confident41 Ų4181.7 Ų81.718%0.1844%0.435CS..Hα-helixtrans-61.5-37.2-176.9-173.4-96.6000113L553 C556 F557 T640 P648L553-F644 HydrophobicContact CD2-CE1 4.24Å; L553-F644 HydrophobicContact CD2-CZ 4.05Å; C556-F644 HydrophobicContact CB-CE2 3.81Å; C556-F644 HydrophobicContact CB-CZ 4.13Å; F557-F644 HydrophobicContact CB-CE1 4.47Å; F557-F644 HydrophobicContact CB-CE2 4.15Å; F557-F644 HydrophobicContact CB-CZ 4.12Å; F557-F644 HydrophobicContact CD2-CB 4.31Å; F557-F644 AromaticContact CD2-CD1 3.98Å; F557-F644 HydrophobicContact CD2-CD1 3.98Å; F557-F644 HydrophobicContact CD2-CD2 4.28Å; F557-F644 HydrophobicContact CD2-CE1 4.36Å; F557-F644 AromaticContact CD2-CG 3.94Å; F557-F644 HydrophobicContact CD2-CG 3.94Å; T640-F644 WeakPolarHBondContact O-CB 3.37Å; T640-F644 PolarHBondContact O-N 3.02Å; F644-P648 WeakPolarHBondContact O-CG 3.47Å
645F85.7Confident88.1Confident121 Ų12180.1 Ų80.153%0.53142%0.423SS..Hα-helixtrans-94.8-43-179.9-72.3-75000113.3I641 E643 M649I641-F645 HydrophobicContact CG2-CD2 4.02Å; I641-F645 HydrophobicContact CG2-CE2 4.37Å; I641-F645 WeakPolarHBondContact O-CD2 3.39Å; I641-F645 PolarHBondContact O-N 2.82Å; E643-F645 VanDerWaalsContact C-N 3.31Å; E643-F645 PolarHBondContact O-N 3.39Å; F645-M649 VanDerWaalsContact O-CG 3.23Å; F645-M649 WeakPolarHBondContact O-CG 3.15Å
646L86.2Confident87.7Confident111 Ų11181.4 Ų81.458%0.58143%0.427SS*.Hα-helixtrans-86.4-34.8-170.9-58.7169.6000113.3A642 M649 E650A642-L646 HydrophobicContact CB-CD1 4.22Å; A642-L646 WeakPolarHBondContact O-CA 3.43Å; A642-L646 WeakPolarHBondContact O-CB 3.27Å; A642-L646 WeakPolarHBondContact O-CG 3.43Å; A642-L646 PolarHBondContact O-N 3.28Å; L646-M649 CarbonylContact O-C 3.56Å; L646-M649 WeakPolarHBondContact O-CA 3.39Å; L646-M649 WeakPolarHBondContact O-CB 3.33Å; L646-M649 PolarHBondContact O-N 2.93Å; L646-M649 VanDerWaalsContact O-N 3.12Å; L646-E650 PolarHBondContact O-N 3.25Å
647E84Confident87.2Confident119 Ų11984.7 Ų84.756%0.55644%0.444SS*.Hα-helixtrans-66.6-44.1-176.5-164.4-175.4-177.700112.2E643 M649 E650 V651E643-E647 WeakPolarHBondContact O-CB 3.39Å; E643-E647 PolarHBondContact O-N 3.01Å; E643-E647 VanDerWaalsContact O-N 3.11Å; E647-M649 PolarHBondContact O-N 2.67Å; E647-E650 PolarHBondContact O-N 3.14Å; E647-V651 PolarHBondContact O-N 3.35Å
648P85.1Confident86.9Confident78 Ų7890.6 Ų90.651%0.50646%0.462SS..Hα-helixtrans-61.9-33.8170.7-22.734.5000112.7E643 F644 L652E643-P648 VanDerWaalsContact O-CD 3.31Å; E643-P648 WeakPolarHBondContact O-CD 3.15Å; F644-P648 WeakPolarHBondContact O-CG 3.47Å; P648-L652 VanDerWaalsContact O-CB 3.29Å; P648-L652 WeakPolarHBondContact O-CB 3.3Å; P648-L652 PolarHBondContact O-N 3.4Å
649M85.1Confident86.6Confident126 Ų12692.1 Ų92.162%0.62146%0.458SS*.Hα-helixtrans-70.2-30.4176.7-73.4-172.778.100112.5F645 L646 E647 G653F645-M649 VanDerWaalsContact O-CG 3.23Å; F645-M649 WeakPolarHBondContact O-CG 3.15Å; L646-M649 CarbonylContact O-C 3.56Å; L646-M649 WeakPolarHBondContact O-CA 3.39Å; L646-M649 WeakPolarHBondContact O-CB 3.33Å; L646-M649 PolarHBondContact O-N 2.93Å; L646-M649 VanDerWaalsContact O-N 3.12Å; E647-M649 PolarHBondContact O-N 2.67Å; M649-G653 WeakPolarHBondContact O-CA 3.4Å; M649-G653 PolarHBondContact O-N 2.9Å
650E85.2Confident86.1Confident149 Ų14994 Ų9470%0.69646%0.462SS*.Hα-helixtrans-66.9-47.5173.6-174.2176.6175.100110.9L646 E647 L652 G653 E654L646-E650 PolarHBondContact O-N 3.25Å; E647-E650 PolarHBondContact O-N 3.14Å; E650-L652 PolarHBondContact O-N 2.83Å; E650-G653 PolarHBondContact O-N 3.33Å; E650-E654 PolarHBondContact O-N 2.87Å
651V83.1Confident85.7Confident82 Ų82102.2 Ų102.250%0.49749%0.493SS..Hα-helixtrans-61.9-44.5175.5-179.20000110.6E647 G653 E654 K655E647-V651 PolarHBondContact O-N 3.35Å; V651-G653 VanDerWaalsContact C-N 3.34Å; V651-G653 PolarHBondContact O-N 3.33Å; V651-E654 PolarHBondContact O-N 3.41Å; V651-K655 WeakPolarHBondContact O-CG 3.4Å; V651-K655 PolarHBondContact O-N 2.99Å; V651-K655 VanDerWaalsContact O-N 3.1Å
652L83Confident85.4Confident121 Ų121102 Ų10263%0.63450%0.503SS*.Hα-helixtrans-62.8-41.5176.2-173.167.6000111.4P648 E650 K655 F656P648-L652 VanDerWaalsContact O-CB 3.29Å; P648-L652 WeakPolarHBondContact O-CB 3.3Å; P648-L652 PolarHBondContact O-N 3.4Å; E650-L652 PolarHBondContact O-N 2.83Å; L652-K655 PolarHBondContact O-N 3.49Å; L652-F656 WeakPolarHBondContact O-CB 3.45Å; L652-F656 PolarHBondContact O-N 2.8Å
653G85.3Confident85Confident37 Ų37102.6 Ų102.638%0.38150%0.5SS..Hα-helixtrans-63.9-40.417700000112.4M649 E650 V651 F656 N657M649-G653 WeakPolarHBondContact O-CA 3.4Å; M649-G653 PolarHBondContact O-N 2.9Å; E650-G653 PolarHBondContact O-N 3.33Å; V651-G653 VanDerWaalsContact C-N 3.34Å; V651-G653 PolarHBondContact O-N 3.33Å; G653-F656 PolarHBondContact O-N 2.99Å; G653-N657 VanDerWaalsContact O-CB 3.24Å; G653-N657 WeakPolarHBondContact O-CB 3.34Å; G653-N657 PolarHBondContact O-N 3.26Å
654E85.8Confident84.9Confident120 Ų12099.6 Ų99.656%0.56149%0.486SS*.Hα-helixtrans-61.7-44.8173.9-164.4-153-163.800110.9E650 V651 R658E650-E654 PolarHBondContact O-N 2.87Å; V651-E654 PolarHBondContact O-N 3.41Å; E654-R658 WeakPolarHBondContact O-CB 3.5Å; E654-R658 PolarHBondContact O-N 2.86Å
655K85.8Confident84.4Confident108 Ų108107.3 Ų107.347%0.4751%0.514SS..Hα-helixtrans-67.6-40.6176.3-59.2-40.7174.1-146.10112.2V651 L652 R658 F659V651-K655 WeakPolarHBondContact O-CG 3.4Å; V651-K655 PolarHBondContact O-N 2.99Å; V651-K655 VanDerWaalsContact O-N 3.1Å; L652-K655 PolarHBondContact O-N 3.49Å; K655-R658 WeakPolarHBondContact O-CB 3.41Å; K655-R658 PolarHBondContact O-N 2.85Å; K655-F659 PolarHBondContact O-N 3.03Å
656F84.2Confident84.2Confident130 Ų130108.1 Ų108.157%0.5752%0.524SS*.Hα-helixtrans-65-41.2177.4-169.2-93.7000111.6L652 G653 R658 F659 Y660L652-F656 WeakPolarHBondContact O-CB 3.45Å; L652-F656 PolarHBondContact O-N 2.8Å; G653-F656 PolarHBondContact O-N 2.99Å; F656-R658 VanDerWaalsContact C-N 3.34Å; F656-R658 PolarHBondContact O-N 2.83Å; F656-F659 WeakPolarHBondContact O-CB 3.3Å; F656-F659 PolarHBondContact O-N 3.5Å; F656-Y660 HydrophobicContact CE1-CD2 4.45Å; F656-Y660 WeakPolarHBondContact O-CB 3.29Å; F656-Y660 PolarHBondContact O-N 3.17Å
657N83.3Confident83.9Confident70 Ų70105.5 Ų105.537%0.37451%0.51SS..Hα-helixtrans-62.9-41.3174.5-174.11.8000111.3G653 Y660 R661G653-N657 VanDerWaalsContact O-CB 3.24Å; G653-N657 WeakPolarHBondContact O-CB 3.34Å; G653-N657 PolarHBondContact O-N 3.26Å; N657-Y660 PolarHBondContact O-N 3.18Å; N657-R661 PolarHBondContact ND2-NH2 3.38Å; N657-R661 WeakPolarHBondContact O-CB 3.08Å; N657-R661 PolarHBondContact O-N 3.42Å; N657-R661 PolarHBondContact OD1-NE 2.91Å
658R87Confident83.9Confident188 Ų188102.9 Ų102.971%0.70951%0.505SS*.Hα-helixtrans-62.6-43.2174.4-164.4-178.8-138.4-173.47.3111.9E654 K655 F656 A662E654-R658 WeakPolarHBondContact O-CB 3.5Å; E654-R658 PolarHBondContact O-N 2.86Å; K655-R658 WeakPolarHBondContact O-CB 3.41Å; K655-R658 PolarHBondContact O-N 2.85Å; F656-R658 VanDerWaalsContact C-N 3.34Å; F656-R658 PolarHBondContact O-N 2.83Å; R658-A662 WeakPolarHBondContact O-CB 3.06Å; R658-A662 PolarHBondContact O-N 2.74Å
659F85.8Confident83.7Confident92 Ų92105.8 Ų105.840%0.40452%0.515SS..Hα-helixtrans-60.4-49.3173.9168.6-101.9000111.3K655 F656 A662 L663 F679K655-F659 PolarHBondContact O-N 3.03Å; F656-F659 WeakPolarHBondContact O-CB 3.3Å; F656-F659 PolarHBondContact O-N 3.5Å; F659-A662 PolarHBondContact O-N 2.88Å; F659-L663 HydrophobicContact CE1-CD2 4.12Å; F659-L663 HydrophobicContact CZ-CD2 4.05Å; F659-L663 WeakPolarHBondContact O-CB 3.32Å; F659-L663 PolarHBondContact O-N 3.08Å; F659-F679 HydrophobicContact CE1-CE1 4.19Å; F659-F679 HydrophobicContact CE1-CZ 4.22Å; F659-F679 AromaticContact CZ-CE1 3.99Å; F659-F679 HydrophobicContact CZ-CE1 3.99Å; F659-F679 HydrophobicContact CZ-CE2 4.48Å; F659-F679 AromaticContact CZ-CZ 3.67Å; F659-F679 HydrophobicContact CZ-CZ 3.67Å
660Y82.8Confident83.7Confident87 Ų87110 Ų11034%0.34152%0.524SS..Hα-helixtrans-61.4-47.2180-166.1-84.1000111.6F656 N657 A662 L663 F664 F676F656-Y660 HydrophobicContact CE1-CD2 4.45Å; F656-Y660 WeakPolarHBondContact O-CB 3.29Å; F656-Y660 PolarHBondContact O-N 3.17Å; N657-Y660 PolarHBondContact O-N 3.18Å; Y660-A662 VanDerWaalsContact C-N 3.3Å; Y660-A662 PolarHBondContact O-N 3.03Å; Y660-L663 PolarHBondContact O-N 3.32Å; Y660-F664 AromaticContact CD1-CD2 3.62Å; Y660-F664 HydrophobicContact CD1-CD2 3.62Å; Y660-F664 HydrophobicContact CD1-CE2 4.12Å; Y660-F664 AromaticContact CD2-CD2 3.91Å; Y660-F664 HydrophobicContact CD2-CD2 3.91Å; Y660-F664 AromaticContact CD2-CE2 3.57Å; Y660-F664 HydrophobicContact CD2-CE2 3.57Å; Y660-F664 AromaticContact CE1-CD2 3.39Å; Y660-F664 HydrophobicContact CE1-CD2 3.39Å; Y660-F664 AromaticContact CE1-CE2 3.78Å; Y660-F664 HydrophobicContact CE1-CE2 3.78Å; Y660-F664 HydrophobicContact CE1-CG 4.24Å; Y660-F664 AromaticContact CE2-CD2 3.73Å; Y660-F664 HydrophobicContact CE2-CD2 3.73Å; Y660-F664 AromaticContact CE2-CE2 3.19Å; Y660-F664 HydrophobicContact CE2-CE2 3.19Å; Y660-F664 HydrophobicContact CE2-CZ 4.09Å; Y660-F664 AromaticContact CG-CD2 3.85Å; Y660-F664 HydrophobicContact CG-CD2 3.85Å; Y660-F664 HydrophobicContact CG-CE2 4.02Å; Y660-F664 AromaticContact CZ-CD2 3.44Å; Y660-F664 VanDerWaalsContact CZ-CD2 3.44Å; Y660-F664 AromaticContact CZ-CE2 3.27Å; Y660-F664 VanDerWaalsContact O-CD2 3.3Å; Y660-F664 WeakPolarHBondContact O-CD2 3.48Å; Y660-F664 PolarHBondContact O-N 3.27Å; Y660-F664 VanDerWaalsContact O-N 3.08Å; Y660-F676 HydrophobicContact CE2-CD2 4Å; Y660-F676 HydrophobicContact CE2-CE2 4.24Å
661R84.1Confident83.6Confident172 Ų172108.6 Ų108.665%0.64952%0.517SS*.Hα-helixtrans-60.7-38.3175.5-81.8-169.6-113175-2.8112.6N657 R665N657-R661 PolarHBondContact ND2-NH2 3.38Å; N657-R661 WeakPolarHBondContact O-CB 3.08Å; N657-R661 PolarHBondContact O-N 3.42Å; N657-R661 PolarHBondContact OD1-NE 2.91Å; R661-R665 WeakPolarHBondContact O-CB 3.27Å; R661-R665 PolarHBondContact O-N 3.33Å
662A84Confident83.7Confident73 Ų73107.3 Ų107.360%0.60351%0.506SS*.Hα-helixtrans-69.1-40.5176.300000112.1R658 F659 Y660R658-A662 WeakPolarHBondContact O-CB 3.06Å; R658-A662 PolarHBondContact O-N 2.74Å; F659-A662 PolarHBondContact O-N 2.88Å; Y660-A662 VanDerWaalsContact C-N 3.3Å; Y660-A662 PolarHBondContact O-N 3.03Å
663L83Confident83.8Confident55 Ų55107.2 Ų107.229%0.28851%0.506SS..Hα-helixtrans-66.5-36.8-178.4-173.169.2000112.7F659 Y660 V675 F679F659-L663 HydrophobicContact CE1-CD2 4.12Å; F659-L663 HydrophobicContact CZ-CD2 4.05Å; F659-L663 WeakPolarHBondContact O-CB 3.32Å; F659-L663 PolarHBondContact O-N 3.08Å; Y660-L663 PolarHBondContact O-N 3.32Å; L663-V675 HydrophobicContact CD2-CG1 4.27Å; L663-F679 HydrophobicContact CD1-CE2 4.3Å; L663-F679 HydrophobicContact CD2-CD2 3.84Å; L663-F679 HydrophobicContact CD2-CE2 3.45Å; L663-F679 VanDerWaalsContact CD2-CE2 3.45Å; L663-F679 HydrophobicContact CD2-CZ 4.08Å
664F85.3Confident83.9Confident12 Ų12109.7 Ų109.75%0.05351%0.513CS..Hα-helixtrans-103.21-173.7-68.3-71.4000115.2Y660 D666 L667 Q672 V675 F676Y660-F664 AromaticContact CD1-CD2 3.62Å; Y660-F664 HydrophobicContact CD1-CD2 3.62Å; Y660-F664 HydrophobicContact CD1-CE2 4.12Å; Y660-F664 AromaticContact CD2-CD2 3.91Å; Y660-F664 HydrophobicContact CD2-CD2 3.91Å; Y660-F664 AromaticContact CD2-CE2 3.57Å; Y660-F664 HydrophobicContact CD2-CE2 3.57Å; Y660-F664 AromaticContact CE1-CD2 3.39Å; Y660-F664 HydrophobicContact CE1-CD2 3.39Å; Y660-F664 AromaticContact CE1-CE2 3.78Å; Y660-F664 HydrophobicContact CE1-CE2 3.78Å; Y660-F664 HydrophobicContact CE1-CG 4.24Å; Y660-F664 AromaticContact CE2-CD2 3.73Å; Y660-F664 HydrophobicContact CE2-CD2 3.73Å; Y660-F664 AromaticContact CE2-CE2 3.19Å; Y660-F664 HydrophobicContact CE2-CE2 3.19Å; Y660-F664 HydrophobicContact CE2-CZ 4.09Å; Y660-F664 AromaticContact CG-CD2 3.85Å; Y660-F664 HydrophobicContact CG-CD2 3.85Å; Y660-F664 HydrophobicContact CG-CE2 4.02Å; Y660-F664 AromaticContact CZ-CD2 3.44Å; Y660-F664 VanDerWaalsContact CZ-CD2 3.44Å; Y660-F664 AromaticContact CZ-CE2 3.27Å; Y660-F664 VanDerWaalsContact O-CD2 3.3Å; Y660-F664 WeakPolarHBondContact O-CD2 3.48Å; Y660-F664 PolarHBondContact O-N 3.27Å; Y660-F664 VanDerWaalsContact O-N 3.08Å; F664-D666 VanDerWaalsContact C-N 3.27Å; F664-D666 PolarHBondContact O-N 3.16Å; F664-D666 VanDerWaalsContact O-N 3.17Å; F664-L667 HydrophobicContact CD1-CD2 4.42Å; F664-L667 PolarHBondContact O-N 3.15Å; F664-Q672 HydrophobicContact CB-CG 4.35Å; F664-Q672 HydrophobicContact CD1-CB 3.74Å; F664-Q672 HydrophobicContact CD1-CG 3.7Å; F664-Q672 HydrophobicContact CE1-CB 4.01Å; F664-Q672 HydrophobicContact CE1-CG 4.46Å; F664-Q672 WeakPolarHBondContact CE1-O 3.08Å; F664-Q672 HydrophobicContact CG-CG 4.4Å; F664-Q672 PolarHBondContact O-NE2 3.35Å; F664-V675 HydrophobicContact CE1-CB 3.9Å; F664-V675 HydrophobicContact CE1-CG1 3.87Å; F664-V675 HydrophobicContact CZ-CB 4.44Å; F664-V675 HydrophobicContact CZ-CG1 4.06Å; F664-F676 HydrophobicContact CZ-CB 4.13Å
665R79.4Confident84Confident202 Ų202106.1 Ų106.176%0.76250%0.499SS*.THydrogen-bonded Turntrans-52.7-39.9-173.6-174.5179.4143.4-176.8-3.9113.9R661R661-R665 WeakPolarHBondContact O-CB 3.27Å; R661-R665 PolarHBondContact O-N 3.33Å
666D80.7Confident84Confident139 Ų139105.4 Ų105.474%0.74350%0.496SS*.THydrogen-bonded Turntrans-112.29.6-172.9-56.8-40.5000113.3F664F664-D666 VanDerWaalsContact C-N 3.27Å; F664-D666 PolarHBondContact O-N 3.16Å; F664-D666 VanDerWaalsContact O-N 3.17Å
667L80.8Confident84.1Confident55 Ų55102.1 Ų102.129%0.28849%0.489SS..  trans-96.4128.1179.8-8676.5000111F664 H671 Q672 V675F664-L667 HydrophobicContact CD1-CD2 4.42Å; F664-L667 PolarHBondContact O-N 3.15Å; L667-H671 HydrophobicContact CB-CB 4.11Å; L667-H671 HydrophobicContact CD2-CB 3.81Å; L667-H671 HydrophobicContact CG-CB 4Å; L667-Q672 HydrophobicContact CB-CG 3.73Å; L667-Q672 VanDerWaalsContact O-CG 3.3Å; L667-Q672 WeakPolarHBondContact O-CG 3.4Å; L667-Q672 PolarHBondContact O-NE2 3.08Å; L667-V675 HydrophobicContact CD2-CB 4.1Å; L667-V675 HydrophobicContact CD2-CG2 3.54Å
668S82.7Confident84.3Confident64 Ų64102.4 Ų102.445%0.44850%0.496SS..  trans-59.4151167.368.70000110.9R670 H671 Q672S668-R670 PolarHBondContact O-N 3.18Å; S668-H671 WeakPolarHBondContact O-CA 3.43Å; S668-H671 PolarHBondContact O-N 3.5Å; S668-H671 PolarHBondContact OG-ND1 3.29Å; S668-Q672 WeakPolarHBondContact O-CG 3.23Å; S668-Q672 PolarHBondContact O-N 3.49Å
669L82.1Confident84.3Confident139 Ų13997.6 Ų97.673%0.72848%0.48SS*.Hα-helixtrans-45.1-37.5179.6-78.6166.2000114.6Q672 L673L669-Q672 PolarHBondContact O-N 3.44Å; L669-L673 PolarHBondContact O-N 3.46Å
670R83.3Confident84.3Confident216 Ų21695.9 Ų95.982%0.81548%0.477SS*.Hα-helixtrans-62-45.9176.1-120.6-174.9-69.2175.7-1.8112.7S668 V674S668-R670 PolarHBondContact O-N 3.18Å; R670-V674 PolarHBondContact O-N 3.11Å
671H83.7Confident84.5Confident118 Ų11896.6 Ų96.655%0.54649%0.486SS..Hα-helixtrans-72.8-32.5177.8-66.699.9000111.7L667 S668 L673 V674 V675L667-H671 HydrophobicContact CB-CB 4.11Å; L667-H671 HydrophobicContact CD2-CB 3.81Å; L667-H671 HydrophobicContact CG-CB 4Å; S668-H671 WeakPolarHBondContact O-CA 3.43Å; S668-H671 PolarHBondContact O-N 3.5Å; S668-H671 PolarHBondContact OG-ND1 3.29Å; H671-L673 VanDerWaalsContact C-N 3.34Å; H671-L673 PolarHBondContact O-N 3.33Å; H671-V674 PolarHBondContact O-N 3.41Å; H671-V675 WeakPolarHBondContact O-CG2 2.96Å; H671-V675 PolarHBondContact O-N 3.22Å
672Q85.9Confident84.7Confident56 Ų5692.6 Ų92.626%0.26248%0.477SS..Hα-helixtrans-60.3-44.1175.7-60.1-171.9-1600111.3F664 L667 S668 L669 V674 V675 F676F664-Q672 HydrophobicContact CB-CG 4.35Å; F664-Q672 HydrophobicContact CD1-CB 3.74Å; F664-Q672 HydrophobicContact CD1-CG 3.7Å; F664-Q672 HydrophobicContact CE1-CB 4.01Å; F664-Q672 HydrophobicContact CE1-CG 4.46Å; F664-Q672 WeakPolarHBondContact CE1-O 3.08Å; F664-Q672 HydrophobicContact CG-CG 4.4Å; F664-Q672 PolarHBondContact O-NE2 3.35Å; L667-Q672 HydrophobicContact CB-CG 3.73Å; L667-Q672 VanDerWaalsContact O-CG 3.3Å; L667-Q672 WeakPolarHBondContact O-CG 3.4Å; L667-Q672 PolarHBondContact O-NE2 3.08Å; S668-Q672 WeakPolarHBondContact O-CG 3.23Å; S668-Q672 PolarHBondContact O-N 3.49Å; L669-Q672 PolarHBondContact O-N 3.44Å; Q672-V674 PolarHBondContact O-N 3.3Å; Q672-V675 PolarHBondContact O-N 3.26Å; Q672-F676 WeakPolarHBondContact O-CB 3.2Å; Q672-F676 PolarHBondContact O-N 3.13Å
673L85.6Confident84.7Confident119 Ų11995.1 Ų95.162%0.62348%0.475SS*.Hα-helixtrans-63.2-38.8177.6-70.7172.8000113.1L669 H671 S677L669-L673 PolarHBondContact O-N 3.46Å; H671-L673 VanDerWaalsContact C-N 3.34Å; H671-L673 PolarHBondContact O-N 3.33Å; L673-S677 WeakPolarHBondContact O-CB 3.48Å; L673-S677 PolarHBondContact O-N 3.11Å; L673-S677 PolarHBondContact O-OG 3.41Å
674V87.6Confident84.8Confident89 Ų8998.6 Ų98.654%0.53949%0.488SS..Hα-helixtrans-68.2-49.6178.2176.60000110.8R670 H671 Q672 F676 S677 C678R670-V674 PolarHBondContact O-N 3.11Å; H671-V674 PolarHBondContact O-N 3.41Å; Q672-V674 PolarHBondContact O-N 3.3Å; V674-F676 VanDerWaalsContact C-N 3.33Å; V674-F676 PolarHBondContact O-N 3.45Å; V674-S677 PolarHBondContact O-N 3.35Å; V674-C678 PolarHBondContact O-N 2.94Å; V674-C678 PolarHBondContact O-SG 3.18Å; V674-C678 VanDerWaalsContact O-SG 3.41Å
675V86.1Confident84.6Confident44 Ų44101.7 Ų101.727%0.26750%0.504SS..Hα-helixtrans-65.3-38.6-179.7171.40000111.3L663 F664 L667 H671 Q672 C678 F679L663-V675 HydrophobicContact CD2-CG1 4.27Å; F664-V675 HydrophobicContact CE1-CB 3.9Å; F664-V675 HydrophobicContact CE1-CG1 3.87Å; F664-V675 HydrophobicContact CZ-CB 4.44Å; F664-V675 HydrophobicContact CZ-CG1 4.06Å; L667-V675 HydrophobicContact CD2-CB 4.1Å; L667-V675 HydrophobicContact CD2-CG2 3.54Å; H671-V675 WeakPolarHBondContact O-CG2 2.96Å; H671-V675 PolarHBondContact O-N 3.22Å; Q672-V675 PolarHBondContact O-N 3.26Å; V675-C678 PolarHBondContact O-N 2.89Å; V675-F679 HydrophobicContact CG1-CD2 4.15Å; V675-F679 PolarHBondContact O-N 2.69Å
676F86.6Confident84.7Confident93 Ų9396.3 Ų96.341%0.40849%0.489SS..Hα-helixtrans-59.4-47173.1-177.5-98.5000111.5Y660 F664 Q672 V674 C678 F679 V680Y660-F676 HydrophobicContact CE2-CD2 4Å; Y660-F676 HydrophobicContact CE2-CE2 4.24Å; F664-F676 HydrophobicContact CZ-CB 4.13Å; Q672-F676 WeakPolarHBondContact O-CB 3.2Å; Q672-F676 PolarHBondContact O-N 3.13Å; V674-F676 VanDerWaalsContact C-N 3.33Å; V674-F676 PolarHBondContact O-N 3.45Å; F676-C678 VanDerWaalsContact C-N 3.34Å; F676-C678 PolarHBondContact O-N 3.3Å; F676-F679 PolarHBondContact O-N 2.71Å; F676-V680 HydrophobicContact CD1-CG2 4.17Å; F676-V680 HydrophobicContact CE1-CG2 3.77Å; F676-V680 HydrophobicContact CE2-CG2 4.4Å; F676-V680 HydrophobicContact CZ-CG2 3.9Å; F676-V680 WeakPolarHBondContact O-CG2 3.46Å; F676-V680 PolarHBondContact O-N 3.26Å
677S86.7Confident84.5Confident61 Ų6192.2 Ų92.243%0.42747%0.467SS..Hα-helixtrans-60.5-42.5177.5-57.80000111.9L673 V674 F679 V680 I681L673-S677 WeakPolarHBondContact O-CB 3.48Å; L673-S677 PolarHBondContact O-N 3.11Å; L673-S677 PolarHBondContact O-OG 3.41Å; V674-S677 PolarHBondContact O-N 3.35Å; S677-F679 PolarHBondContact O-N 3.2Å; S677-V680 PolarHBondContact O-N 2.95Å; S677-I681 WeakPolarHBondContact O-CD1 3.46Å; S677-I681 VanDerWaalsContact O-CG1 3.26Å; S677-I681 WeakPolarHBondContact O-CG1 3.49Å; S677-I681 PolarHBondContact O-N 3.49Å
678C87.3Confident84.4Confident76 Ų7692.7 Ų92.751%0.51447%0.47SS..Hα-helixtrans-61.7-42.3174.8-69.40000112.4V674 V675 F676 I681 L682V674-C678 PolarHBondContact O-N 2.94Å; V674-C678 PolarHBondContact O-SG 3.18Å; V674-C678 VanDerWaalsContact O-SG 3.41Å; V675-C678 PolarHBondContact O-N 2.89Å; F676-C678 VanDerWaalsContact C-N 3.34Å; F676-C678 PolarHBondContact O-N 3.3Å; C678-I681 PolarHBondContact O-N 3.06Å; C678-L682 VanDerWaalsContact O-CB 3.3Å; C678-L682 WeakPolarHBondContact O-CB 3.5Å; C678-L682 PolarHBondContact O-N 2.93Å
679F86.3Confident84.1Confident87 Ų8796.9 Ų96.938%0.38248%0.48SS..Hα-helixtrans-64.1-42177.4-107.6-81.6000112.2F659 L663 V675 F676 S677 L682 F683F659-F679 HydrophobicContact CE1-CE1 4.19Å; F659-F679 HydrophobicContact CE1-CZ 4.22Å; F659-F679 AromaticContact CZ-CE1 3.99Å; F659-F679 HydrophobicContact CZ-CE1 3.99Å; F659-F679 HydrophobicContact CZ-CE2 4.48Å; F659-F679 AromaticContact CZ-CZ 3.67Å; F659-F679 HydrophobicContact CZ-CZ 3.67Å; L663-F679 HydrophobicContact CD1-CE2 4.3Å; L663-F679 HydrophobicContact CD2-CD2 3.84Å; L663-F679 HydrophobicContact CD2-CE2 3.45Å; L663-F679 VanDerWaalsContact CD2-CE2 3.45Å; L663-F679 HydrophobicContact CD2-CZ 4.08Å; V675-F679 HydrophobicContact CG1-CD2 4.15Å; V675-F679 PolarHBondContact O-N 2.69Å; F676-F679 PolarHBondContact O-N 2.71Å; S677-F679 PolarHBondContact O-N 3.2Å; F679-L682 PolarHBondContact O-N 3.28Å; F679-F683 WeakPolarHBondContact O-CB 3.26Å; F679-F683 PolarHBondContact O-N 2.66Å
680V85.9Confident83.8Confident56 Ų5695.3 Ų95.334%0.33948%0.476SS..Hα-helixtrans-63.9-44.8176.8173.90000110.6F676 S677 F683 F684F676-V680 HydrophobicContact CD1-CG2 4.17Å; F676-V680 HydrophobicContact CE1-CG2 3.77Å; F676-V680 HydrophobicContact CE2-CG2 4.4Å; F676-V680 HydrophobicContact CZ-CG2 3.9Å; F676-V680 WeakPolarHBondContact O-CG2 3.46Å; F676-V680 PolarHBondContact O-N 3.26Å; S677-V680 PolarHBondContact O-N 2.95Å; V680-F683 PolarHBondContact O-N 2.6Å; V680-F684 HydrophobicContact CG1-CD2 3.93Å; V680-F684 HydrophobicContact CG1-CE2 4.11Å; V680-F684 WeakPolarHBondContact O-CD2 3.1Å; V680-F684 PolarHBondContact O-N 3.47Å
681I88.1Confident83.5Confident102 Ų10291.4 Ų91.452%0.52347%0.465SS..Hα-helixtrans-62.6-47177.1-67164.7000110.7S677 C678 F683 F684 I685S677-I681 WeakPolarHBondContact O-CD1 3.46Å; S677-I681 VanDerWaalsContact O-CG1 3.26Å; S677-I681 WeakPolarHBondContact O-CG1 3.49Å; S677-I681 PolarHBondContact O-N 3.49Å; C678-I681 PolarHBondContact O-N 3.06Å; I681-F683 VanDerWaalsContact C-N 3.32Å; I681-F683 PolarHBondContact O-N 3.29Å; I681-F684 PolarHBondContact O-N 3.32Å; I681-I685 HydrophobicContact CG2-CD1 3.8Å; I681-I685 HydrophobicContact CG2-CG1 4.43Å; I681-I685 VanDerWaalsContact O-CG1 3.31Å; I681-I685 WeakPolarHBondContact O-CG1 3.3Å; I681-I685 PolarHBondContact O-N 3.13Å
682L86.6Confident82.4Confident89 Ų8995.5 Ų95.547%0.46648%0.476SS..Hα-helixtrans-61-42.5177.8-176.966.7000111.3C678 F679 I685 I686C678-L682 VanDerWaalsContact O-CB 3.3Å; C678-L682 WeakPolarHBondContact O-CB 3.5Å; C678-L682 PolarHBondContact O-N 2.93Å; F679-L682 PolarHBondContact O-N 3.28Å; L682-I685 PolarHBondContact O-N 2.78Å; L682-I686 HydrophobicContact CD1-CD1 4.31Å; L682-I686 HydrophobicContact CG-CD1 3.92Å; L682-I686 WeakPolarHBondContact O-CB 3.34Å; L682-I686 VanDerWaalsContact O-CG1 3.25Å; L682-I686 WeakPolarHBondContact O-CG1 3.46Å; L682-I686 PolarHBondContact O-N 2.91Å
683F85.8Confident81.2Confident126 Ų126100.5 Ų100.555%0.55349%0.493SS*.Hα-helixtrans-61.5-43.3176.4-179.3-105.2000111.8F679 V680 I681 I686 L687F679-F683 WeakPolarHBondContact O-CB 3.26Å; F679-F683 PolarHBondContact O-N 2.66Å; V680-F683 PolarHBondContact O-N 2.6Å; I681-F683 VanDerWaalsContact C-N 3.32Å; I681-F683 PolarHBondContact O-N 3.29Å; F683-I686 PolarHBondContact O-N 2.83Å; F683-L687 HydrophobicContact CD1-CD1 3.63Å; F683-L687 HydrophobicContact CE1-CD1 3.22Å; F683-L687 HydrophobicContact CE1-CG 4.27Å; F683-L687 HydrophobicContact CE2-CD1 4.4Å; F683-L687 HydrophobicContact CG-CD1 4.38Å; F683-L687 HydrophobicContact CZ-CD1 3.66Å; F683-L687 HydrophobicContact CZ-CG 4.31Å; F683-L687 WeakPolarHBondContact O-CB 3.13Å; F683-L687 PolarHBondContact O-N 2.83Å
684F84.2Confident79.7Confident127 Ų127103.1 Ų103.156%0.55750%0.495SS*.Hα-helixtrans-64.2-42.3174.2-96.1-80.7000112.6V680 I681 L687 L688V680-F684 HydrophobicContact CG1-CD2 3.93Å; V680-F684 HydrophobicContact CG1-CE2 4.11Å; V680-F684 WeakPolarHBondContact O-CD2 3.1Å; V680-F684 PolarHBondContact O-N 3.47Å; I681-F684 PolarHBondContact O-N 3.32Å; F684-L687 WeakPolarHBondContact O-CB 3.44Å; F684-L687 PolarHBondContact O-N 3.14Å; F684-L688 VanDerWaalsContact O-CG 3.25Å; F684-L688 WeakPolarHBondContact O-CG 2.97Å; F684-L688 PolarHBondContact O-N 2.97Å
685I81.5Confident78.2Confident77 Ų77107.1 Ų107.140%0.39551%0.506SS..Hα-helixtrans-61.2-46.9176-69.4168.6000110.2I681 L682 L687 L688 F689I681-I685 HydrophobicContact CG2-CD1 3.8Å; I681-I685 HydrophobicContact CG2-CG1 4.43Å; I681-I685 VanDerWaalsContact O-CG1 3.31Å; I681-I685 WeakPolarHBondContact O-CG1 3.3Å; I681-I685 PolarHBondContact O-N 3.13Å; L682-I685 PolarHBondContact O-N 2.78Å; I685-L687 PolarHBondContact O-N 3.23Å; I685-L688 PolarHBondContact O-N 3.19Å; I685-F689 HydrophobicContact CG2-CD2 3.67Å; I685-F689 HydrophobicContact CG2-CE2 3.54Å; I685-F689 WeakPolarHBondContact O-CD2 3.38Å; I685-F689 PolarHBondContact O-N 2.67Å
686I80.6Confident76.4Confident89 Ų89116.4 Ų116.446%0.45654%0.536SS..Hα-helixtrans-60.9-44.5177-68.1166.7000110.7L682 F683 L688 F689 V690L682-I686 HydrophobicContact CD1-CD1 4.31Å; L682-I686 HydrophobicContact CG-CD1 3.92Å; L682-I686 WeakPolarHBondContact O-CB 3.34Å; L682-I686 VanDerWaalsContact O-CG1 3.25Å; L682-I686 WeakPolarHBondContact O-CG1 3.46Å; L682-I686 PolarHBondContact O-N 2.91Å; F683-I686 PolarHBondContact O-N 2.83Å; I686-L688 VanDerWaalsContact C-N 3.33Å; I686-L688 PolarHBondContact O-N 2.56Å; I686-F689 PolarHBondContact O-N 3.29Å; I686-V690 HydrophobicContact CG2-CG2 4.14Å; I686-V690 VanDerWaalsContact O-CG2 3.3Å; I686-V690 WeakPolarHBondContact O-CG2 3.14Å; I686-V690 PolarHBondContact O-N 3.26Å
687L77.6Confident75Confident53 Ų53116.2 Ų116.228%0.27754%0.542SS..Hα-helixtrans-57.2-44.9174.9-91.6164.5000112F683 F684 I685 F689 V690 F691F683-L687 HydrophobicContact CD1-CD1 3.63Å; F683-L687 HydrophobicContact CE1-CD1 3.22Å; F683-L687 HydrophobicContact CE1-CG 4.27Å; F683-L687 HydrophobicContact CE2-CD1 4.4Å; F683-L687 HydrophobicContact CG-CD1 4.38Å; F683-L687 HydrophobicContact CZ-CD1 3.66Å; F683-L687 HydrophobicContact CZ-CG 4.31Å; F683-L687 WeakPolarHBondContact O-CB 3.13Å; F683-L687 PolarHBondContact O-N 2.83Å; F684-L687 WeakPolarHBondContact O-CB 3.44Å; F684-L687 PolarHBondContact O-N 3.14Å; I685-L687 PolarHBondContact O-N 3.23Å; L687-F689 VanDerWaalsContact C-N 3.34Å; L687-F689 PolarHBondContact O-N 2.9Å; L687-V690 PolarHBondContact O-N 3.46Å; L687-F691 HydrophobicContact CD2-CD2 3.79Å; L687-F691 HydrophobicContact CD2-CE2 3.38Å; L687-F691 WeakPolarHBondContact O-CB 3.3Å; L687-F691 VanDerWaalsContact O-CD2 3.28Å; L687-F691 WeakPolarHBondContact O-CD2 3.33Å; L687-F691 PolarHBondContact O-N 3.45Å
688L78.9Confident73.7Confident65 Ų65119.9 Ų119.934%0.3457%0.565SS.*Hα-helixtrans-62.4-41177.1-69.9169.3000111.6F684 I685 I686 R692 Y693F684-L688 VanDerWaalsContact O-CG 3.25Å; F684-L688 WeakPolarHBondContact O-CG 2.97Å; F684-L688 PolarHBondContact O-N 2.97Å; I685-L688 PolarHBondContact O-N 3.19Å; I686-L688 VanDerWaalsContact C-N 3.33Å; I686-L688 PolarHBondContact O-N 2.56Å; L688-R692 PolarHBondContact O-N 3.02Å; L688-Y693 HydrophobicContact CD2-CD2 4.45Å; L688-Y693 HydrophobicContact CD2-CG 4.42Å; L688-Y693 PolarHBondContact O-N 3.19Å
689F76.8Confident72.3Confident153 Ų153122 Ų12267%0.67158%0.575SS**Hα-helixtrans-65.8-43.6174.4-83.5-71.7000112.8I685 I686 L687 R692I685-F689 HydrophobicContact CG2-CD2 3.67Å; I685-F689 HydrophobicContact CG2-CE2 3.54Å; I685-F689 WeakPolarHBondContact O-CD2 3.38Å; I685-F689 PolarHBondContact O-N 2.67Å; I686-F689 PolarHBondContact O-N 3.29Å; L687-F689 VanDerWaalsContact C-N 3.34Å; L687-F689 PolarHBondContact O-N 2.9Å; F689-R692 PolarHBondContact O-N 3.49Å
690V74.9Confident70.3Confident105 Ų105121.1 Ų121.164%0.63659%0.59SS**Hα-helixtrans-65.7-43.1180170.10000111.3I686 L687 R692I686-V690 HydrophobicContact CG2-CG2 4.14Å; I686-V690 VanDerWaalsContact O-CG2 3.3Å; I686-V690 WeakPolarHBondContact O-CG2 3.14Å; I686-V690 PolarHBondContact O-N 3.26Å; L687-V690 PolarHBondContact O-N 3.46Å; V690-R692 PolarHBondContact O-N 3.4Å
691F76Confident68.2Low135 Ų135123 Ų12359%0.59261%0.612SS**THydrogen-bonded Turntrans-78.38.4176.7-75.5-66.3000113.8L687 Y693L687-F691 HydrophobicContact CD2-CD2 3.79Å; L687-F691 HydrophobicContact CD2-CE2 3.38Å; L687-F691 WeakPolarHBondContact O-CB 3.3Å; L687-F691 VanDerWaalsContact O-CD2 3.28Å; L687-F691 WeakPolarHBondContact O-CD2 3.33Å; L687-F691 PolarHBondContact O-N 3.45Å; F691-Y693 HydrophobicContact CB-CD2 3.52Å; F691-Y693 HydrophobicContact CB-CE2 3.67Å; F691-Y693 HydrophobicContact CG-CE2 4.47Å; F691-Y693 PolarHBondContact O-N 3.3Å
692R61.4Low66Low204 Ų204125.4 Ų125.477%0.7763%0.625SS**THydrogen-bonded Turntrans54.431.5178.9-58.4-177.1116.1144.92.5113.4L688 F689 V690 R694L688-R692 PolarHBondContact O-N 3.02Å; F689-R692 PolarHBondContact O-N 3.49Å; V690-R692 PolarHBondContact O-N 3.4Å; R692-R694 PolarHBondContact O-N 3.43Å
693Y60Low64Low160 Ų160128.7 Ų128.763%0.62764%0.643SS**  trans-78.2110.8170.9-76.7-76.4000109.3L688 F691 F695L688-Y693 HydrophobicContact CD2-CD2 4.45Å; L688-Y693 HydrophobicContact CD2-CG 4.42Å; L688-Y693 PolarHBondContact O-N 3.19Å; F691-Y693 HydrophobicContact CB-CD2 3.52Å; F691-Y693 HydrophobicContact CB-CE2 3.67Å; F691-Y693 HydrophobicContact CG-CE2 4.47Å; F691-Y693 PolarHBondContact O-N 3.3Å; Y693-F695 PolarHBondContact O-N 3.37Å
694R54.2Low62.1Low174 Ų174127.2 Ų127.266%0.65765%0.647SS**  trans-74.5110.9169.7-85.4-178.5168.6-175.6-6.4109.2R692 C704R692-R694 PolarHBondContact O-N 3.43Å; R694-C704 PolarHBondContact NH2-O 3.32Å
695F56Low60.4Low173 Ų173125.2 Ų125.276%0.75966%0.655SS**  trans-102.7123.1165.6-122.8-87.4000109.8Y693 T697Y693-F695 PolarHBondContact O-N 3.37Å; F695-T697 PolarHBondContact O-N 3.47Å
696R49.7Very low58.9Low239 Ų239125.5 Ų125.590%0.90266%0.661SS**  trans-84.9105.8173-157.4177.8-161.5174.84.6107.1
697T56.8Low57.2Low89 Ų89127.1 Ų127.155%0.54668%0.677SS.*  trans-65.1142.7169.745.20000109.3F695 V699F695-T697 PolarHBondContact O-N 3.47Å; T697-V699 PolarHBondContact O-N 2.88Å; T697-V699 PolarHBondContact OG1-O 2.96Å
698P58.1Low55.5Low139 Ų139133.9 Ų133.990%0.90371%0.708SS**SBendtrans-66.9-1.2177.823.7-29.8000113.6
699V58.1Low53.6Low120 Ų120139.6 Ų139.673%0.72773%0.733SS**SBendtrans-120.1113.4171.4-167.70000106T697T697-V699 PolarHBondContact O-N 2.88Å; T697-V699 PolarHBondContact OG1-O 2.96Å
700G45.1Very low51.7Low68 Ų68141.9 Ų141.970%0.70174%0.742SS**  trans-67.2170.8-161.300000117
701A42.3Very low49.9Very low96 Ų96143 Ų14379%0.79375%0.749SS**  trans90.487.1170.600000117.4
702L41.9Very low48Very low152 Ų152145.2 Ų145.280%0.79676%0.762SS**  trans-163.680.7142.7-105.4150.4000108.7
703D43.1Very low46.8Very low158 Ų158142.2 Ų142.285%0.84576%0.76SS**  trans-84.3111.7168.4-87.1-38.9000109.1
704C46.9Very low45.5Very low95 Ų95140.4 Ų140.464%0.64277%0.768SS**  trans-117.7107.9162.6-65.70000108.1R694R694-C704 PolarHBondContact NH2-O 3.32Å
705A49.5Very low44.6Very low86 Ų86139.3 Ų139.371%0.71178%0.775SS**PPolyproline II helixtrans-80.6138.9175.200000110.9
706P49.8Very low43.6Very low83 Ų83139.7 Ų139.754%0.53978%0.779SS.*PPolyproline II helixtrans-72.2157.1166.232.1-32000110.2E708P706-E708 PolarHBondContact O-N 3.48Å
707P43.9Very low42.8Very low122 Ų122137.1 Ų137.179%0.79278%0.777SS**PPolyproline II helixtrans-64.4136.6178.727.2-31.8000110.6Q709P707-Q709 PolarHBondContact O-N 3.31Å
708E41.8Very low41.7Very low195 Ų195142 Ų14291%0.91179%0.794SS**PPolyproline II helixtrans-52.1126.5179.1-72.1173.2143.700112.4P706P706-E708 PolarHBondContact O-N 3.48Å
709Q38.6Very low40.6Very low186 Ų186139.8 Ų139.887%0.86979%0.787SS**  trans-89.5113.6160.2-141.6172.2-12.900106.5P707 T711P707-Q709 PolarHBondContact O-N 3.31Å; Q709-T711 PolarHBondContact O-N 2.93Å
710K38.1Very low39.4Very low201 Ų201142.7 Ų142.787%0.87480%0.798SS**  trans-48.5114.7174.6-76.9178.9175.6-179.60109.3E712K710-E712 PolarHBondContact O-N 2.97Å
711T35.7Very low39Very low127 Ų127143.6 Ų143.678%0.77979%0.794SS**  trans-75.6111.9162.6-55.70000105.9Q709 L713Q709-T711 PolarHBondContact O-N 2.93Å; T711-L713 PolarHBondContact O-N 3.39Å
712E37.5Very low38.8Very low182 Ų182146.1 Ų146.185%0.8579%0.794SS**  trans-63.9119164.6-74.4-178.9160.900107.7K710K710-E712 PolarHBondContact O-N 2.97Å
713L36.2Very low38.4Very low141 Ų141144.5 Ų144.574%0.73880%0.795SS**  trans-61.2142.2168.5-88.195.3000109.6T711T711-L713 PolarHBondContact O-N 3.39Å
714P32.5Very low38.1Very low123 Ų123141.5 Ų141.580%0.79979%0.793SS**  trans-83.8114.8168.731.8-26.5000109.5
715L34.5Very low37.8Very low151 Ų151143.7 Ų143.779%0.79180%0.796SS**  trans-148.7144.4167.1-85174.4000110.5
716Q35Very low37.3Very low181 Ų181147.8 Ų147.885%0.84680%0.801SS**  trans88.496.7-179.4-54.4-174.3-49.800112.4
717E34.2Very low36.7Very low185 Ų185154.1 Ų154.186%0.86482%0.82SS**  cis38.981.946.2-101.1-173.5173.700111.4
718E32.3Very low36.4Very low192 Ų192152.2 Ų152.290%0.89782%0.822SS**  174.3150.5124.5-94.5174.5171.900110.3
719A36.2Very low36.4Very low92 Ų92152.4 Ų152.476%0.7682%0.823SS**  trans78.464.8173.700000117.5
720N32.6Very low36.5Very low180 Ų180151.2 Ų151.296%0.96382%0.823SS**  trans-72.7110.4134.9-98.3-17.1000107.8
721S36.6Very low36.8Very low88 Ų88147 Ų14762%0.61582%0.818SS**  trans-143.2113.9156.459.90000108.8
722D37.4Very low37.5Very low149 Ų149149.8 Ų149.880%0.79782%0.82SS**  trans78.6114.5145.9-52.4-27.6000119.4
723S34.8Very low37.6Very low117 Ų117152.2 Ų152.282%0.81884%0.839SS**  trans121.577.5133.371.90000118.2
724A35.9Very low37.7Very low96 Ų96152.8 Ų152.879%0.79384%0.844SS**  trans-17482.7143.600000107.5
725I40.4Very low38Very low140 Ų140154.3 Ų154.372%0.71885%0.846SS**  42100.476.6-58.6-174.2000113.3
726Q39.3Very low38.1Very low173 Ų173154.5 Ų154.581%0.80885%0.849SS**  trans70.6101.9143.9-68.6166.2-23.200118.8
727K37.5Very low38.3Very low216 Ų216152.9 Ų152.994%0.93985%0.849SS**  -169.7108.8105.8-99.7170.8-177.4-176.40110.1
728G36.7Very low38.6Very low81 Ų81150.9 Ų150.984%0.83585%0.848SS**  trans-157.391.7170.400000107.4
729E42.8Very low39Very low199 Ų199148.2 Ų148.293%0.9385%0.845SS**  trans-84.1141.1159.7-105.5172.5152.100108.1
730D41Very low39.2Very low161 Ų161152.2 Ų152.286%0.86185%0.851SS**  trans-48.8149.9179.7-70.5-52.5000114.9
731S43.8Very low39.7Very low112 Ų112150.1 Ų150.178%0.78384%0.842SS**  -176.3139.2108.6-173.40000111.3
732K50.2Low40Very low187 Ų187155.3 Ų155.381%0.81386%0.861SS**  trans-33135.7148.3-60.8169176.3175.80109.8
733D39.9Very low40.2Very low232 Ų232155.8 Ų155.8100%1.24187%0.867SS**  cis-141.2039.7-74.1-50.3000112.6

Retrieved 733 of 733 residues in 713.4 ms (Link to these results)

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