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15-hydroxyprostaglandin dehydrogenase [NAD(+)]

Catalyzes the NAD-dependent dehydrogenation (oxidation) of a broad array of hydroxylated polyunsaturated fatty acids (mainly eicosanoids and docosanoids, including prostaglandins, lipoxins and resolvins), yielding their corresponding keto (oxo) metabolites. Decreases the levels of the pro-proliferative prostaglandins such as prostaglandin E2 (whose activity is increased in cancer because of an increase in the expression of cyclooxygenase 2) and generates oxo-fatty acid products that can profoundly influence cell function by abrogating pro-inflammatory cytokine expression. Converts resolvins E1, D1 and D2 to their oxo products, which represents a mode of resolvin inactivation. Resolvin E1 plays important roles during the resolution phase of acute inflammation, while resolvins D1 and D2 have a unique role in obesity-induced adipose inflammation.

AlphaFold DB , UniProt , Accession A0A096N864, Species PAPAN (Papio anubis, Olive baboon), Gene HPGD, Length 266 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
1M89.9Confident97.3Very high41 Ų4138.4 Ų38.420%0.20221%0.209CC..  0147.9061.7163.959.900109.7K6 I233 E234 D236M1-K6 HydrophobicContact SD-CD 4.22Å; M1-I233 HydrophobicContact CG-CG2 3.85Å; M1-I233 VanDerWaalsContact CG-O 3.28Å; M1-I233 WeakPolarHBondContact CG-O 3.34Å; M1-I233 PolarHBondContact N-O 2.93Å; M1-I233 HydrophobicContact SD-CG2 4.33Å; M1-E234 PolarHBondContact N-O 3.4Å; M1-E234 WeakPolarHBondContact O-CA 3.39Å; M1-D236 PolarHBondContact N-OD1 3.27Å; M1-D236 PolarHBondContact N-OD2 3.19Å
2H93.6Very high97.4Very high165 Ų16536.3 Ų36.376%0.76420%0.203SC*.  trans-72.7136.6174.7-65.6-64.8000111.6K6H2-K6 WeakPolarHBondContact O-CG 3.41Å
3V97.4Very high97.5Very high3 Ų333.5 Ų33.52%0.01819%0.188CC..  trans-77.5-31.7-176.9-179.70000112.8G5 K6 L25 K28 A30 I233 E234V3-G5 PolarHBondContact O-N 3.15Å; V3-K6 WeakPolarHBondContact O-CB 3.29Å; V3-K6 WeakPolarHBondContact O-CG 3.32Å; V3-K6 PolarHBondContact O-N 2.76Å; V3-L25 HydrophobicContact CG1-CD2 4.08Å; V3-K28 HydrophobicContact CB-CB 3.83Å; V3-K28 HydrophobicContact CG1-CB 3.49Å; V3-K28 VanDerWaalsContact CG1-CB 3.49Å; V3-K28 HydrophobicContact CG2-CB 4.44Å; V3-A30 HydrophobicContact CG1-CB 3.9Å; V3-I233 HydrophobicContact CG2-CB 4.37Å; V3-I233 HydrophobicContact CG2-CG2 3.75Å; V3-E234 HydrophobicContact CG2-CG 3.9Å
4N98.2Very high97.6Very high120 Ų12031.6 Ų31.664%0.64218%0.178SC*.THydrogen-bonded Turntrans-58129.4-175.8-176.629.6000111.7K6 K28 G29N4-K6 PolarHBondContact O-N 3.32Å; N4-K28 VanDerWaalsContact CA-O 3.29Å; N4-K28 WeakPolarHBondContact CA-O 3.37Å; N4-K28 PolarHBondContact N-O 3.15Å; N4-G29 PolarHBondContact OD1-O 3.37Å
5G97.7Very high97.6Very high43 Ų4336.2 Ų36.244%0.44320%0.198SC..THydrogen-bonded Turntrans78.7-5.5-179.300000115.5V3 G29V3-G5 PolarHBondContact O-N 3.15Å; G5-G29 PolarHBondContact N-O 3.34Å; G5-G29 VanDerWaalsContact N-O 3.08Å
6K98.7Very high97.7Very high46 Ų4635.7 Ų35.720%0.220%0.203CC..  trans-72.4153175.5-63-72174-178.60111.7M1 H2 V3 N4 A30 K31 D86 I87M1-K6 HydrophobicContact SD-CD 4.22Å; H2-K6 WeakPolarHBondContact O-CG 3.41Å; V3-K6 WeakPolarHBondContact O-CB 3.29Å; V3-K6 WeakPolarHBondContact O-CG 3.32Å; V3-K6 PolarHBondContact O-N 2.76Å; N4-K6 PolarHBondContact O-N 3.32Å; K6-A30 CarbonylContact O-C 3.52Å; K6-A30 VanDerWaalsContact O-CA 3.27Å; K6-A30 WeakPolarHBondContact O-CA 3.14Å; K6-A30 WeakPolarHBondContact O-CB 3.25Å; K6-K31 PolarHBondContact O-N 2.91Å; K6-D86 HydrophobicContact CB-CB 4.02Å; K6-D86 HydrophobicContact CD-CB 3.62Å; K6-D86 VanDerWaalsContact CD-OD1 3.23Å; K6-D86 WeakPolarHBondContact CD-OD1 3.43Å; K6-D86 HydrophobicContact CG-CB 4.38Å; K6-D86 IonicContact NZ-OD1 3.15Å; K6-D86 PolarHBondContact NZ-OD1 3.08Å; K6-I87 HydrophobicContact CB-CD1 3.9Å
7V98.9Very high97.7Very high1 Ų134.9 Ų34.91%0.00620%0.198CC..EExtended strand (participates in β ladder)trans-104.7122.1175.4-179.40000109.9K31 V78 F82 R84 D86 I87V7-K31 WeakPolarHBondContact CA-O 3.36Å; V7-K31 HydrophobicContact CG2-CB 4.39Å; V7-K31 HydrophobicContact CG2-CD 4.41Å; V7-V78 HydrophobicContact CG1-CG1 4.33Å; V7-F82 HydrophobicContact CB-CB 4.38Å; V7-F82 HydrophobicContact CG1-CB 3.73Å; V7-F82 HydrophobicContact CG1-CD2 3.53Å; V7-F82 HydrophobicContact CG1-CE2 4.38Å; V7-F82 HydrophobicContact CG1-CG 3.86Å; V7-F82 HydrophobicContact CG2-CB 3.72Å; V7-F82 HydrophobicContact CG2-CG 4.24Å; V7-R84 HydrophobicContact CB-CG 4.07Å; V7-R84 WeakPolarHBondContact CB-O 3.42Å; V7-R84 WeakPolarHBondContact CG1-O 3.5Å; V7-R84 HydrophobicContact CG2-CG 3.49Å; V7-R84 VanDerWaalsContact CG2-CG 3.49Å; V7-D86 PolarHBondContact N-OD2 2.86Å; V7-D86 PolarHBondContact O-N 3.08Å; V7-I87 PolarHBondContact O-N 2.85Å
8A98.9Very high97.8Very high0 Ų032.9 Ų32.90%019%0.187CC..EExtended strand (participates in β ladder)trans-110.9137.1178.400000111.9L25 K31 V32 A33 I87A8-L25 HydrophobicContact CB-CD1 3.68Å; A8-L25 HydrophobicContact CB-CD2 4.43Å; A8-K31 PolarHBondContact N-O 3.32Å; A8-V32 HydrophobicContact CB-CG2 4.43Å; A8-V32 CarbonylContact O-C 3.56Å; A8-V32 WeakPolarHBondContact O-CA 3.44Å; A8-A33 PolarHBondContact O-N 3.45Å; A8-I87 CarbonylContact C-O 3.54Å; A8-I87 WeakPolarHBondContact CA-O 3.49Å; A8-I87 HydrophobicContact CB-CB 3.86Å; A8-I87 HydrophobicContact CB-CD1 4.41Å; A8-I87 HydrophobicContact CB-CG2 4.1Å
9L98.9Very high97.9Very high0 Ų035.6 Ų35.60%019%0.194CC..EExtended strand (participates in β ladder)trans-107.6119.8165.5-171.3168.9000108.1T11 A33 V35 F75 V78 L85 I87 L88 V89L9-T11 HydrophobicContact CD2-CG2 3.71Å; L9-A33 HydrophobicContact CG-CB 4.41Å; L9-V35 HydrophobicContact CD2-CB 4.31Å; L9-V35 HydrophobicContact CD2-CG2 3.72Å; L9-V35 HydrophobicContact CG-CG2 3.92Å; L9-F75 HydrophobicContact CD1-CD1 4.13Å; L9-F75 HydrophobicContact CD1-CD2 3.94Å; L9-F75 HydrophobicContact CD1-CE1 4.13Å; L9-F75 HydrophobicContact CD1-CE2 3.96Å; L9-F75 HydrophobicContact CD1-CG 4.05Å; L9-F75 HydrophobicContact CD1-CZ 4.06Å; L9-V78 HydrophobicContact CD1-CB 4.35Å; L9-V78 HydrophobicContact CD1-CG1 4.48Å; L9-V78 HydrophobicContact CD1-CG2 3.88Å; L9-V78 HydrophobicContact CG-CG2 4.25Å; L9-L85 HydrophobicContact CB-CD1 3.78Å; L9-I87 PolarHBondContact N-O 2.97Å; L9-L88 HydrophobicContact CB-CD1 4.24Å; L9-L88 HydrophobicContact CD2-CD1 3.8Å; L9-L88 HydrophobicContact CG-CD1 4.42Å; L9-V89 PolarHBondContact O-N 2.9Å
10V98.9Very high97.9Very high0 Ų034.2 Ų34.20%019%0.187CC..EExtended strand (participates in β ladder)trans-117.7118.5179.5-175.60000109.2A13 F21 L25 V32 A33 V35 V89V10-A13 HydrophobicContact CB-CB 4.08Å; V10-A13 HydrophobicContact CG1-CB 3.97Å; V10-A13 WeakPolarHBondContact O-CB 3.28Å; V10-F21 HydrophobicContact CG1-CB 4.19Å; V10-F21 HydrophobicContact CG1-CD2 4.41Å; V10-L25 HydrophobicContact CG2-CD1 3.78Å; V10-V32 HydrophobicContact CG2-CG1 3.98Å; V10-A33 PolarHBondContact N-O 2.91Å; V10-V35 PolarHBondContact O-N 3.49Å; V10-V89 HydrophobicContact CB-CB 4.45Å; V10-V89 HydrophobicContact CG1-CB 4.23Å; V10-V89 HydrophobicContact CG2-CB 4.16Å; V10-V89 HydrophobicContact CG2-CG2 4.11Å
11T98.9Very high98Very high3 Ų332.5 Ų32.52%0.01818%0.178CC..EExtended strand (participates in β ladder)trans-87.2146.4174.769.30000111.6L9 A13 V35 V65 V89 N91 A92L9-T11 HydrophobicContact CD2-CG2 3.71Å; T11-A13 VanDerWaalsContact C-N 3.32Å; T11-V35 CarbonylContact C-O 3.56Å; T11-V35 WeakPolarHBondContact CA-O 3.46Å; T11-V35 HydrophobicContact CG2-CB 4.39Å; T11-V35 HydrophobicContact CG2-CG1 4.42Å; T11-V65 HydrophobicContact CG2-CG1 4.02Å; T11-V89 PolarHBondContact N-O 2.92Å; T11-V89 PolarHBondContact OG1-O 3.15Å; T11-N91 WeakPolarHBondContact O-CB 3.34Å; T11-N91 PolarHBondContact O-ND2 3.24Å; T11-N91 PolarHBondContact OG1-N 3.34Å; T11-A92 PolarHBondContact O-N 2.84Å; T11-A92 PolarHBondContact OG1-N 3.09Å
12G98.7Very high98.4Very high14 Ų1430.6 Ų30.614%0.14417%0.168CC..THydrogen-bonded Turntrans66.534.3-17300000112.5G18 V35 D36 N91G12-G18 WeakPolarHBondContact O-CA 3.23Å; G12-V35 PolarHBondContact N-O 3.02Å; G12-D36 WeakPolarHBondContact CA-OD2 3.21Å; G12-N91 PolarHBondContact O-ND2 3.21Å
13A98.8Very high98.6Very high0 Ų025.4 Ų25.40%015%0.145CC..THydrogen-bonded Turntrans-84.1-5.3-169.900000114.9V10 T11 Q15 R19 L34 V35 D36V10-A13 HydrophobicContact CB-CB 4.08Å; V10-A13 HydrophobicContact CG1-CB 3.97Å; V10-A13 WeakPolarHBondContact O-CB 3.28Å; T11-A13 VanDerWaalsContact C-N 3.32Å; A13-Q15 VanDerWaalsContact C-N 3.27Å; A13-Q15 PolarHBondContact O-N 3.39Å; A13-R19 WeakPolarHBondContact O-CA 3.39Å; A13-R19 WeakPolarHBondContact O-CB 3.48Å; A13-R19 PolarHBondContact O-N 3.15Å; A13-L34 HydrophobicContact CB-CB 3.87Å; A13-L34 HydrophobicContact CB-CD2 4.12Å; A13-L34 HydrophobicContact CB-CG 4.14Å; A13-V35 PolarHBondContact N-O 3.33Å; A13-D36 PolarHBondContact N-OD2 3.47Å
14A98.6Very high98.7Very high7 Ų726.1 Ų26.16%0.05815%0.15CC..THydrogen-bonded Turntrans-70.8-23.6-176.700000113.1D36 A41A14-D36 HydrophobicContact CB-CB 3.81Å; A14-D36 VanDerWaalsContact CB-CG 3.45Å; A14-D36 VanDerWaalsContact CB-OD2 3.25Å; A14-D36 WeakPolarHBondContact CB-OD2 3.21Å; A14-D36 PolarHBondContact N-OD2 2.91Å; A14-A41 HydrophobicContact CB-CB 3.92Å
15Q98.4Very high98.7Very high100 Ų10020.4 Ų20.447%0.46712%0.12SC..SBendtrans-155.1174.6-173.461.6-179.958.900113.4A13 G18 R19A13-Q15 VanDerWaalsContact C-N 3.27Å; A13-Q15 PolarHBondContact O-N 3.39Å; Q15-G18 PolarHBondContact O-N 3.38Å; Q15-R19 PolarHBondContact O-N 2.67Å; Q15-R19 VanDerWaalsContact O-N 3.16Å
16G98.4Very high98.8Very high28 Ų2818.8 Ų18.829%0.28910%0.101SC..Hα-helixtrans55.7-135.9171.300000113.5G18 R19 A20G16-G18 VanDerWaalsContact C-N 3.34Å; G16-G18 PolarHBondContact O-N 3.46Å; G16-R19 PolarHBondContact O-N 2.69Å; G16-A20 PolarHBondContact O-N 3.01Å; G16-A20 VanDerWaalsContact O-N 3.16Å
17I98.8Very high98.8Very high22 Ų2223.3 Ų23.311%0.11313%0.127CC..Hα-helixtrans-61.9-40.1-179.1-64.1169.9000111.6R19 A20 F21 M136 V186 T188 I225I17-R19 PolarHBondContact O-N 2.95Å; I17-A20 PolarHBondContact O-N 3.01Å; I17-F21 HydrophobicContact CG2-CD1 4.2Å; I17-F21 HydrophobicContact CG2-CD2 3.92Å; I17-F21 HydrophobicContact CG2-CE1 3.69Å; I17-F21 HydrophobicContact CG2-CE2 3.37Å; I17-F21 HydrophobicContact CG2-CG 4.33Å; I17-F21 HydrophobicContact CG2-CZ 3.25Å; I17-F21 VanDerWaalsContact O-CG 3.28Å; I17-F21 WeakPolarHBondContact O-CG 3.27Å; I17-F21 PolarHBondContact O-N 3.24Å; I17-M136 HydrophobicContact CD1-CE 4.3Å; I17-M136 HydrophobicContact CG2-CE 4.25Å; I17-V186 HydrophobicContact CD1-CB 4.05Å; I17-V186 HydrophobicContact CD1-CG1 4.01Å; I17-V186 HydrophobicContact CD1-CG2 3.95Å; I17-V186 HydrophobicContact CG1-CB 4.44Å; I17-V186 HydrophobicContact CG1-CG1 3.87Å; I17-T188 HydrophobicContact CG1-CG2 4.09Å; I17-I225 HydrophobicContact CD1-CG1 4.39Å; I17-I225 HydrophobicContact CG1-CG1 4.38Å; I17-I225 HydrophobicContact CG2-CB 4.2Å; I17-I225 HydrophobicContact CG2-CG2 3.86Å
18G98.8Very high98.8Very high0 Ų027.4 Ų27.40%015%0.145CC..Hα-helixtrans-65.2-39-178.500000113G12 Q15 G16 F21 A22 N91G12-G18 WeakPolarHBondContact O-CA 3.23Å; Q15-G18 PolarHBondContact O-N 3.38Å; G16-G18 VanDerWaalsContact C-N 3.34Å; G16-G18 PolarHBondContact O-N 3.46Å; G18-F21 WeakPolarHBondContact O-CB 3.38Å; G18-F21 PolarHBondContact O-N 3.13Å; G18-A22 PolarHBondContact O-N 2.8Å; G18-N91 VanDerWaalsContact CA-ND2 3.29Å; G18-N91 WeakPolarHBondContact CA-ND2 3.36Å; G18-N91 PolarHBondContact N-ND2 2.95Å
19R98.8Very high98.7Very high83 Ų8328.1 Ų28.131%0.31315%0.151SC..Hα-helixtrans-64.1-44.3171.8177.5175168.1167.21.5111.7A13 Q15 G16 I17 F21 A22 E23A13-R19 WeakPolarHBondContact O-CA 3.39Å; A13-R19 WeakPolarHBondContact O-CB 3.48Å; A13-R19 PolarHBondContact O-N 3.15Å; Q15-R19 PolarHBondContact O-N 2.67Å; Q15-R19 VanDerWaalsContact O-N 3.16Å; G16-R19 PolarHBondContact O-N 2.69Å; I17-R19 PolarHBondContact O-N 2.95Å; R19-F21 VanDerWaalsContact C-N 3.25Å; R19-F21 PolarHBondContact O-N 3.04Å; R19-A22 WeakPolarHBondContact O-CB 3.28Å; R19-A22 PolarHBondContact O-N 3.2Å; R19-A22 VanDerWaalsContact O-N 3.09Å; R19-E23 HydrophobicContact CG-CG 4.44Å; R19-E23 IonicContact CZ-OE1 3.94Å; R19-E23 IonicContact NE-OE1 3.59Å; R19-E23 PolarHBondContact NE-OE1 2.94Å; R19-E23 IonicContact NH2-OE1 2.84Å; R19-E23 PolarHBondContact NH2-OE1 2.89Å; R19-E23 WeakPolarHBondContact O-CG 3.22Å; R19-E23 PolarHBondContact O-N 3.26Å
20A98.9Very high98.7Very high7 Ų728.1 Ų28.16%0.05815%0.151CC..Hα-helixtrans-61.5-34.5176.700000112.4G16 I17 A24 P222 A226G16-A20 PolarHBondContact O-N 3.01Å; G16-A20 VanDerWaalsContact O-N 3.16Å; I17-A20 PolarHBondContact O-N 3.01Å; A20-A24 WeakPolarHBondContact O-CB 3.37Å; A20-A24 PolarHBondContact O-N 2.99Å; A20-P222 HydrophobicContact CB-CB 3.62Å; A20-A226 HydrophobicContact CB-CB 4.36Å; A20-A226 WeakPolarHBondContact O-CB 3.39Å
21F98.9Very high98.7Very high0 Ų031.6 Ų31.60%017%0.167CC..Hα-helixtrans-63.6-47.3170.8-67.2-24.4000112.3V10 I17 G18 R19 E23 A24 L25 V89 N91 M136 I181 I225 A226 L229V10-F21 HydrophobicContact CG1-CB 4.19Å; V10-F21 HydrophobicContact CG1-CD2 4.41Å; I17-F21 HydrophobicContact CG2-CD1 4.2Å; I17-F21 HydrophobicContact CG2-CD2 3.92Å; I17-F21 HydrophobicContact CG2-CE1 3.69Å; I17-F21 HydrophobicContact CG2-CE2 3.37Å; I17-F21 HydrophobicContact CG2-CG 4.33Å; I17-F21 HydrophobicContact CG2-CZ 3.25Å; I17-F21 VanDerWaalsContact O-CG 3.28Å; I17-F21 WeakPolarHBondContact O-CG 3.27Å; I17-F21 PolarHBondContact O-N 3.24Å; G18-F21 WeakPolarHBondContact O-CB 3.38Å; G18-F21 PolarHBondContact O-N 3.13Å; R19-F21 VanDerWaalsContact C-N 3.25Å; R19-F21 PolarHBondContact O-N 3.04Å; F21-E23 PolarHBondContact O-N 3.29Å; F21-A24 PolarHBondContact O-N 3.08Å; F21-L25 WeakPolarHBondContact O-CB 3.44Å; F21-L25 WeakPolarHBondContact O-CD1 3.19Å; F21-L25 VanDerWaalsContact O-CG 3.22Å; F21-L25 WeakPolarHBondContact O-CG 3.4Å; F21-L25 PolarHBondContact O-N 2.95Å; F21-V89 HydrophobicContact CD2-CG1 3.63Å; F21-V89 HydrophobicContact CE2-CG1 3.7Å; F21-N91 HydrophobicContact CD2-CB 4.22Å; F21-N91 HydrophobicContact CE2-CB 4.11Å; F21-M136 HydrophobicContact CE2-CG 4.03Å; F21-M136 HydrophobicContact CE2-SD 3.64Å; F21-M136 HydrophobicContact CZ-CE 4.35Å; F21-M136 HydrophobicContact CZ-SD 3.57Å; F21-M136 VanDerWaalsContact CZ-SD 3.57Å; F21-I181 HydrophobicContact CZ-CD1 4.17Å; F21-I225 HydrophobicContact CE1-CB 4.28Å; F21-I225 HydrophobicContact CE1-CG2 3.84Å; F21-I225 HydrophobicContact CZ-CG2 3.79Å; F21-A226 HydrophobicContact CD1-CB 3.85Å; F21-A226 HydrophobicContact CE1-CB 4.35Å; F21-L229 HydrophobicContact CB-CD2 3.6Å; F21-L229 HydrophobicContact CD1-CB 3.88Å; F21-L229 HydrophobicContact CD1-CD2 3.43Å; F21-L229 VanDerWaalsContact CD1-CD2 3.43Å; F21-L229 HydrophobicContact CD1-CG 4.27Å; F21-L229 HydrophobicContact CD2-CD2 4.17Å; F21-L229 HydrophobicContact CE1-CB 3.69Å; F21-L229 HydrophobicContact CE1-CD2 4.03Å; F21-L229 HydrophobicContact CE1-CG 4.44Å; F21-L229 HydrophobicContact CG-CD2 3.49Å; F21-L229 VanDerWaalsContact CG-CD2 3.49Å; F21-L229 HydrophobicContact CZ-CB 4.36Å
22A98.9Very high98.7Very high0 Ų031.5 Ų31.50%017%0.166CC..Hα-helixtrans-58.6-47.317700000111.4G18 R19 L25 L26 V32 L34 L49G18-A22 PolarHBondContact O-N 2.8Å; R19-A22 WeakPolarHBondContact O-CB 3.28Å; R19-A22 PolarHBondContact O-N 3.2Å; R19-A22 VanDerWaalsContact O-N 3.09Å; A22-L25 PolarHBondContact O-N 3.11Å; A22-L26 WeakPolarHBondContact O-CB 3.4Å; A22-L26 WeakPolarHBondContact O-CD1 3.42Å; A22-L26 WeakPolarHBondContact O-CG 3.42Å; A22-L26 PolarHBondContact O-N 3Å; A22-V32 HydrophobicContact CB-CG1 3.95Å; A22-L34 HydrophobicContact CB-CD2 4.12Å; A22-L34 HydrophobicContact CB-CG 4.44Å; A22-L49 HydrophobicContact CB-CD1 4.47Å
23E98.9Very high98.7Very high57 Ų5730.8 Ų30.827%0.26616%0.159SC..Hα-helixtrans-57.9-49.4176.9-72.7169.4176.700112R19 F21 L25 L26 L27 L49R19-E23 HydrophobicContact CG-CG 4.44Å; R19-E23 IonicContact CZ-OE1 3.94Å; R19-E23 IonicContact NE-OE1 3.59Å; R19-E23 PolarHBondContact NE-OE1 2.94Å; R19-E23 IonicContact NH2-OE1 2.84Å; R19-E23 PolarHBondContact NH2-OE1 2.89Å; R19-E23 WeakPolarHBondContact O-CG 3.22Å; R19-E23 PolarHBondContact O-N 3.26Å; F21-E23 PolarHBondContact O-N 3.29Å; E23-L25 PolarHBondContact O-N 2.81Å; E23-L26 PolarHBondContact O-N 3.46Å; E23-L27 WeakPolarHBondContact O-CB 3.5Å; E23-L27 PolarHBondContact O-N 3.45Å; E23-L49 HydrophobicContact CG-CD2 3.54Å
24A98.8Very high98.8Very high17 Ų1730.9 Ų30.914%0.1416%0.16CC..Hα-helixtrans-65.6-38.4-179.400000113A20 F21 K28 A226 I230A20-A24 WeakPolarHBondContact O-CB 3.37Å; A20-A24 PolarHBondContact O-N 2.99Å; F21-A24 PolarHBondContact O-N 3.08Å; A24-K28 WeakPolarHBondContact O-CB 3.29Å; A24-K28 WeakPolarHBondContact O-CG 3.45Å; A24-K28 PolarHBondContact O-N 3.38Å; A24-K28 VanDerWaalsContact O-N 3.13Å; A24-A226 HydrophobicContact CB-CB 3.69Å; A24-I230 HydrophobicContact CB-CD1 4.43Å; A24-I230 HydrophobicContact CB-CG1 4.32Å
25L98.9Very high98.8Very high0 Ų030.6 Ų30.60%016%0.157CC..Hα-helixtrans-66-44.6176.3-75165.6000111.4V3 A8 V10 F21 A22 E23 K28 G29 A30 V32 I87 L229 I230 I233V3-L25 HydrophobicContact CG1-CD2 4.08Å; A8-L25 HydrophobicContact CB-CD1 3.68Å; A8-L25 HydrophobicContact CB-CD2 4.43Å; V10-L25 HydrophobicContact CG2-CD1 3.78Å; F21-L25 WeakPolarHBondContact O-CB 3.44Å; F21-L25 WeakPolarHBondContact O-CD1 3.19Å; F21-L25 VanDerWaalsContact O-CG 3.22Å; F21-L25 WeakPolarHBondContact O-CG 3.4Å; F21-L25 PolarHBondContact O-N 2.95Å; A22-L25 PolarHBondContact O-N 3.11Å; E23-L25 PolarHBondContact O-N 2.81Å; L25-K28 CarbonylContact O-C 3.52Å; L25-K28 PolarHBondContact O-N 3Å; L25-G29 PolarHBondContact O-N 2.7Å; L25-A30 HydrophobicContact CB-CB 4.1Å; L25-A30 VanDerWaalsContact O-CB 3.28Å; L25-A30 WeakPolarHBondContact O-CB 3.41Å; L25-A30 PolarHBondContact O-N 2.85Å; L25-V32 HydrophobicContact CB-CG2 3.73Å; L25-V32 HydrophobicContact CD1-CG2 4.41Å; L25-I87 HydrophobicContact CD2-CD1 4.1Å; L25-L229 HydrophobicContact CD1-CD2 4.1Å; L25-L229 HydrophobicContact CG-CD2 4.23Å; L25-I230 HydrophobicContact CD2-CD1 4.2Å; L25-I233 HydrophobicContact CD2-CD1 3.72Å
26L98.8Very high98.8Very high9 Ų926.4 Ų26.45%0.04714%0.138CC..Hα-helixtrans-62.1-43.6176.2-71.9165.2000111.5A22 E23 K28 G29 V32 L49 F53 K57 T58A22-L26 WeakPolarHBondContact O-CB 3.4Å; A22-L26 WeakPolarHBondContact O-CD1 3.42Å; A22-L26 WeakPolarHBondContact O-CG 3.42Å; A22-L26 PolarHBondContact O-N 3Å; E23-L26 PolarHBondContact O-N 3.46Å; L26-K28 PolarHBondContact O-N 3.46Å; L26-G29 WeakPolarHBondContact O-CA 3.31Å; L26-G29 PolarHBondContact O-N 3.23Å; L26-V32 HydrophobicContact CD2-CB 4.33Å; L26-V32 HydrophobicContact CD2-CG2 3.93Å; L26-V32 HydrophobicContact CG-CB 4.38Å; L26-V32 HydrophobicContact CG-CG2 3.79Å; L26-L49 HydrophobicContact CD1-CB 4.37Å; L26-L49 HydrophobicContact CD1-CD1 3.99Å; L26-L49 HydrophobicContact CD1-CD2 4.04Å; L26-L49 HydrophobicContact CD1-CG 4.37Å; L26-F53 HydrophobicContact CB-CD1 3.9Å; L26-F53 HydrophobicContact CB-CD2 3.9Å; L26-F53 HydrophobicContact CB-CE1 3.8Å; L26-F53 HydrophobicContact CB-CE2 3.81Å; L26-F53 HydrophobicContact CB-CG 3.94Å; L26-F53 HydrophobicContact CB-CZ 3.75Å; L26-F53 HydrophobicContact CD1-CD2 3.72Å; L26-F53 HydrophobicContact CD1-CE2 4.01Å; L26-F53 HydrophobicContact CD1-CG 4.27Å; L26-F53 HydrophobicContact CG-CD2 4.34Å; L26-F53 HydrophobicContact CG-CG 4.49Å; L26-K57 HydrophobicContact CD2-CB 3.64Å; L26-T58 HydrophobicContact CD1-CG2 3.63Å; L26-T58 HydrophobicContact CD2-CG2 3.71Å; L26-T58 HydrophobicContact CG-CG2 4.3Å
27L98.6Very high98.8Very high142 Ų14232.7 Ų32.774%0.74315%0.153SC*.Hα-helixtrans-61.2-31176.6-164.171.3000112.4E23 G29 F53E23-L27 WeakPolarHBondContact O-CB 3.5Å; E23-L27 PolarHBondContact O-N 3.45Å; L27-G29 VanDerWaalsContact C-N 3.28Å; L27-F53 HydrophobicContact CB-CE1 4.5Å; L27-F53 HydrophobicContact CB-CZ 4.45Å; L27-F53 HydrophobicContact CD1-CE1 4.31Å; L27-F53 HydrophobicContact CD1-CZ 4.41Å
28K98.6Very high98.8Very high87 Ų8734.6 Ų34.638%0.37816%0.163SC..THydrogen-bonded Turntrans-84.64.1173.9-74.3-79.5-168.7150.80113.8V3 N4 A24 L25 L26 I230 E234V3-K28 HydrophobicContact CB-CB 3.83Å; V3-K28 HydrophobicContact CG1-CB 3.49Å; V3-K28 VanDerWaalsContact CG1-CB 3.49Å; V3-K28 HydrophobicContact CG2-CB 4.44Å; N4-K28 VanDerWaalsContact CA-O 3.29Å; N4-K28 WeakPolarHBondContact CA-O 3.37Å; N4-K28 PolarHBondContact N-O 3.15Å; A24-K28 WeakPolarHBondContact O-CB 3.29Å; A24-K28 WeakPolarHBondContact O-CG 3.45Å; A24-K28 PolarHBondContact O-N 3.38Å; A24-K28 VanDerWaalsContact O-N 3.13Å; L25-K28 CarbonylContact O-C 3.52Å; L25-K28 PolarHBondContact O-N 3Å; L26-K28 PolarHBondContact O-N 3.46Å; K28-I230 HydrophobicContact CG-CD1 4.07Å; K28-E234 IonicContact NZ-OE1 2.82Å; K28-E234 PolarHBondContact NZ-OE1 3.26Å; K28-E234 IonicContact NZ-OE2 3.86Å; K28-E234 PolarHBondContact NZ-OE2 3.03Å; K28-E234 VanDerWaalsContact NZ-OE2 3.15Å
29G98.4Very high98.8Very high14 Ų1438.9 Ų38.914%0.14419%0.186CC..THydrogen-bonded Turntrans89.46.7173.400000115.5N4 G5 L25 L26 L27 K57N4-G29 PolarHBondContact OD1-O 3.37Å; G5-G29 PolarHBondContact N-O 3.34Å; G5-G29 VanDerWaalsContact N-O 3.08Å; L25-G29 PolarHBondContact O-N 2.7Å; L26-G29 WeakPolarHBondContact O-CA 3.31Å; L26-G29 PolarHBondContact O-N 3.23Å; L27-G29 VanDerWaalsContact C-N 3.28Å; G29-K57 PolarHBondContact O-NZ 3.32Å; G29-K57 VanDerWaalsContact O-NZ 3.11Å
30A98.8Very high98.8Very high0 Ų041.3 Ų41.30%020%0.201CC..  trans-67.8164.4174.200000111.9V3 K6 L25V3-A30 HydrophobicContact CG1-CB 3.9Å; K6-A30 CarbonylContact O-C 3.52Å; K6-A30 VanDerWaalsContact O-CA 3.27Å; K6-A30 WeakPolarHBondContact O-CA 3.14Å; K6-A30 WeakPolarHBondContact O-CB 3.25Å; L25-A30 HydrophobicContact CB-CB 4.1Å; L25-A30 VanDerWaalsContact O-CB 3.28Å; L25-A30 WeakPolarHBondContact O-CB 3.41Å; L25-A30 PolarHBondContact O-N 2.85Å
31K98.9Very high98.8Very high74 Ų7441.9 Ų41.932%0.32221%0.205SC..EExtended strand (participates in β ladder)trans-100.3139.6161.2-55.7178.4-173.2176.80107.8K6 V7 A8 K57 F82K6-K31 PolarHBondContact O-N 2.91Å; V7-K31 WeakPolarHBondContact CA-O 3.36Å; V7-K31 HydrophobicContact CG2-CB 4.39Å; V7-K31 HydrophobicContact CG2-CD 4.41Å; A8-K31 PolarHBondContact N-O 3.32Å; K31-K57 CarbonylContact C-O 3.57Å; K31-K57 VanDerWaalsContact CA-O 3.26Å; K31-K57 WeakPolarHBondContact CA-O 3.34Å; K31-K57 HydrophobicContact CG-CD 4.09Å; K31-F82 HydrophobicContact CB-CD1 4.07Å; K31-F82 HydrophobicContact CB-CE1 3.81Å; K31-F82 HydrophobicContact CB-CZ 4.05Å; K31-F82 HydrophobicContact CD-CD1 3.6Å; K31-F82 HydrophobicContact CD-CE1 3.87Å; K31-F82 HydrophobicContact CD-CG 4.44Å; K31-F82 HydrophobicContact CG-CD1 4.44Å; K31-F82 HydrophobicContact CG-CE1 4.33Å
32V98.9Very high98.7Very high0 Ų042 Ų420%021%0.206CC..EExtended strand (participates in β ladder)trans-127.9120.6-171.8-1740000111.2A8 V10 A22 L25 L26 L34 K57 T58 L59A8-V32 HydrophobicContact CB-CG2 4.43Å; A8-V32 CarbonylContact O-C 3.56Å; A8-V32 WeakPolarHBondContact O-CA 3.44Å; V10-V32 HydrophobicContact CG2-CG1 3.98Å; A22-V32 HydrophobicContact CB-CG1 3.95Å; L25-V32 HydrophobicContact CB-CG2 3.73Å; L25-V32 HydrophobicContact CD1-CG2 4.41Å; L26-V32 HydrophobicContact CD2-CB 4.33Å; L26-V32 HydrophobicContact CD2-CG2 3.93Å; L26-V32 HydrophobicContact CG-CB 4.38Å; L26-V32 HydrophobicContact CG-CG2 3.79Å; V32-L34 HydrophobicContact CG1-CG 4.41Å; V32-K57 PolarHBondContact N-O 3.46Å; V32-T58 VanDerWaalsContact O-CA 3.3Å; V32-T58 WeakPolarHBondContact O-CA 3.48Å; V32-L59 PolarHBondContact O-N 2.73Å
33A98.9Very high98.7Very high0 Ų045.7 Ų45.70%023%0.228CC..EExtended strand (participates in β ladder)trans-82.6109.7160.800000109.4A8 L9 V10 L59 V78 F82A8-A33 PolarHBondContact O-N 3.45Å; L9-A33 HydrophobicContact CG-CB 4.41Å; V10-A33 PolarHBondContact N-O 2.91Å; A33-L59 CarbonylContact C-O 3.6Å; A33-L59 VanDerWaalsContact CA-O 3.3Å; A33-L59 WeakPolarHBondContact CA-O 3.4Å; A33-V78 HydrophobicContact CB-CB 4.29Å; A33-V78 HydrophobicContact CB-CG1 3.88Å; A33-V78 HydrophobicContact CB-CG2 3.39Å; A33-F82 HydrophobicContact CB-CE2 4.2Å
34L98.9Very high98.7Very high2 Ų248.3 Ų48.31%0.0124%0.241CC..EExtended strand (participates in β ladder)trans-80.9113171.2-61.899.9000108.9A13 A22 V32 L49 T58 L59 F60 I61A13-L34 HydrophobicContact CB-CB 3.87Å; A13-L34 HydrophobicContact CB-CD2 4.12Å; A13-L34 HydrophobicContact CB-CG 4.14Å; A22-L34 HydrophobicContact CB-CD2 4.12Å; A22-L34 HydrophobicContact CB-CG 4.44Å; V32-L34 HydrophobicContact CG1-CG 4.41Å; L34-L49 HydrophobicContact CD1-CD1 4.35Å; L34-L49 HydrophobicContact CD2-CD1 3.59Å; L34-T58 HydrophobicContact CD1-CG2 4.02Å; L34-L59 PolarHBondContact N-O 2.95Å; L34-F60 HydrophobicContact CB-CD2 4.19Å; L34-F60 WeakPolarHBondContact O-CA 3.24Å; L34-F60 VanDerWaalsContact O-CD2 3.26Å; L34-F60 WeakPolarHBondContact O-CD2 3.46Å; L34-I61 PolarHBondContact O-N 2.88Å
35V98.9Very high98.7Very high1 Ų147.7 Ų47.71%0.00624%0.235CC..EExtended strand (participates in β ladder)trans-113.2122.6179.7-178.50000108.8L9 V10 T11 G12 A13 I61 C63 T74L9-V35 HydrophobicContact CD2-CB 4.31Å; L9-V35 HydrophobicContact CD2-CG2 3.72Å; L9-V35 HydrophobicContact CG-CG2 3.92Å; V10-V35 PolarHBondContact O-N 3.49Å; T11-V35 CarbonylContact C-O 3.56Å; T11-V35 WeakPolarHBondContact CA-O 3.46Å; T11-V35 HydrophobicContact CG2-CB 4.39Å; T11-V35 HydrophobicContact CG2-CG1 4.42Å; G12-V35 PolarHBondContact N-O 3.02Å; A13-V35 PolarHBondContact N-O 3.33Å; V35-I61 WeakPolarHBondContact CA-O 3.17Å; V35-C63 HydrophobicContact CG1-CB 3.64Å; V35-T74 HydrophobicContact CB-CG2 4.38Å; V35-T74 HydrophobicContact CG1-CG2 3.81Å; V35-T74 HydrophobicContact CG2-CG2 3.57Å
36D98.9Very high98.7Very high11 Ų1149.7 Ų49.76%0.05924%0.244CC..EExtended strand (participates in β ladder)trans-153.1150.4178.6-150.3-68.5000110.8G12 A13 A14 N38 F60 I61 Q62 C63G12-D36 WeakPolarHBondContact CA-OD2 3.21Å; A13-D36 PolarHBondContact N-OD2 3.47Å; A14-D36 HydrophobicContact CB-CB 3.81Å; A14-D36 VanDerWaalsContact CB-CG 3.45Å; A14-D36 VanDerWaalsContact CB-OD2 3.25Å; A14-D36 WeakPolarHBondContact CB-OD2 3.21Å; A14-D36 PolarHBondContact N-OD2 2.91Å; D36-N38 VanDerWaalsContact C-N 3.34Å; D36-N38 PolarHBondContact OD1-N 2.79Å; D36-F60 HydrophobicContact CB-CE2 4.08Å; D36-I61 PolarHBondContact N-O 2.92Å; D36-Q62 CarbonylContact O-C 3.49Å; D36-Q62 VanDerWaalsContact O-CA 3.23Å; D36-Q62 WeakPolarHBondContact O-CA 3.33Å; D36-C63 CarbonylContact C-O 3.45Å; D36-C63 PolarHBondContact O-N 2.77Å
37W98.6Very high98.7Very high161 Ų16151.9 Ų51.961%0.6126%0.263SS*.SBendtrans-76.8-26.3176.573.5-54.6000111.8L39 Q62 C63W37-L39 PolarHBondContact O-N 3.16Å; W37-Q62 PolarHBondContact O-NE2 3.09Å; W37-C63 VanDerWaalsContact CA-O 3.3Å; W37-C63 WeakPolarHBondContact CA-O 3.15Å; W37-C63 PolarHBondContact N-O 2.84Å
38N98.4Very high98.7Very high62 Ų6246.4 Ų46.433%0.33224%0.238SC..  trans-82102179.3-172-25.2000110.7D36 E40 A41 G42D36-N38 VanDerWaalsContact C-N 3.34Å; D36-N38 PolarHBondContact OD1-N 2.79Å; N38-E40 PolarHBondContact OD1-N 3.16Å; N38-A41 HydrophobicContact CB-CB 4.11Å; N38-A41 PolarHBondContact OD1-N 3.35Å; N38-A41 VanDerWaalsContact OD1-N 3.09Å; N38-G42 PolarHBondContact O-N 3.5Å
39L98.6Very high98.7Very high89 Ų8942.2 Ų42.247%0.46622%0.22SC..Hα-helixtrans-56.8-51.5-179.7178.656.3000112.5W37 G42 V43 F60 Q62W37-L39 PolarHBondContact O-N 3.16Å; L39-G42 PolarHBondContact O-N 3.25Å; L39-V43 HydrophobicContact CD1-CG2 4.02Å; L39-V43 WeakPolarHBondContact O-CB 3.25Å; L39-V43 VanDerWaalsContact O-CG2 3.29Å; L39-V43 WeakPolarHBondContact O-CG2 3.39Å; L39-V43 PolarHBondContact O-N 3.11Å; L39-F60 HydrophobicContact CD1-CE1 3.89Å; L39-Q62 HydrophobicContact CB-CG 4.37Å; L39-Q62 HydrophobicContact CD1-CB 4.4Å
40E98.6Very high98.6Very high135 Ų13543.7 Ų43.763%0.63123%0.225SC*.Hα-helixtrans-66.3-50.9-173.5-177.3177.3-176.900111N38 G42 V43 Q44N38-E40 PolarHBondContact OD1-N 3.16Å; E40-G42 VanDerWaalsContact C-N 3.27Å; E40-G42 PolarHBondContact O-N 3.03Å; E40-V43 PolarHBondContact O-N 3.2Å; E40-Q44 WeakPolarHBondContact O-CB 3.38Å; E40-Q44 VanDerWaalsContact O-CG 3.32Å; E40-Q44 WeakPolarHBondContact O-CG 3.44Å; E40-Q44 PolarHBondContact O-N 3.43Å; E40-Q44 PolarHBondContact OE1-NE2 2.9Å
41A98.6Very high98.5Very high19 Ų1951.7 Ų51.716%0.15726%0.262CS..Hα-helixtrans-62.6-37.2178.700000111.7A14 N38 C45A14-A41 HydrophobicContact CB-CB 3.92Å; N38-A41 HydrophobicContact CB-CB 4.11Å; N38-A41 PolarHBondContact OD1-N 3.35Å; N38-A41 VanDerWaalsContact OD1-N 3.09Å; A41-C45 WeakPolarHBondContact O-CB 3.5Å; A41-C45 PolarHBondContact O-N 2.86Å
42G98.7Very high98.4Very high1 Ų154.2 Ų54.21%0.0128%0.275CS..Hα-helixtrans-65.7-44.5177.300000113.4N38 L39 E40 C45 K46 F60N38-G42 PolarHBondContact O-N 3.5Å; L39-G42 PolarHBondContact O-N 3.25Å; E40-G42 VanDerWaalsContact C-N 3.27Å; E40-G42 PolarHBondContact O-N 3.03Å; G42-C45 PolarHBondContact O-N 3.12Å; G42-K46 PolarHBondContact O-N 3.17Å; G42-F60 VanDerWaalsContact CA-CE2 3.4Å
43V98.7Very high98.4Very high78 Ų7856 Ų5647%0.47328%0.283SS..Hα-helixtrans-63.7-45.2175.4169.50000111L39 E40 K46 A47 F60L39-V43 HydrophobicContact CD1-CG2 4.02Å; L39-V43 WeakPolarHBondContact O-CB 3.25Å; L39-V43 VanDerWaalsContact O-CG2 3.29Å; L39-V43 WeakPolarHBondContact O-CG2 3.39Å; L39-V43 PolarHBondContact O-N 3.11Å; E40-V43 PolarHBondContact O-N 3.2Å; V43-K46 PolarHBondContact O-N 3.44Å; V43-A47 WeakPolarHBondContact O-CB 3.34Å; V43-A47 PolarHBondContact O-N 3.4Å; V43-F60 HydrophobicContact CG2-CD1 3.97Å; V43-F60 HydrophobicContact CG2-CE1 4.04Å
44Q98.7Very high98.3Very high113 Ų11361.4 Ų61.453%0.52831%0.308SS..Hα-helixtrans-63.4-41.9177-71.7173.1-2.200111.9E40 A47 A48E40-Q44 WeakPolarHBondContact O-CB 3.38Å; E40-Q44 VanDerWaalsContact O-CG 3.32Å; E40-Q44 WeakPolarHBondContact O-CG 3.44Å; E40-Q44 PolarHBondContact O-N 3.43Å; E40-Q44 PolarHBondContact OE1-NE2 2.9Å; Q44-A47 PolarHBondContact O-N 2.99Å; Q44-A48 WeakPolarHBondContact O-CB 3.42Å; Q44-A48 PolarHBondContact O-N 3.15Å
45C98.7Very high98.2Very high3 Ų364.7 Ų64.72%0.0233%0.329CS..Hα-helixtrans-60.1-48.6176.4-177.60000111.1A41 G42 A47 A48 L49A41-C45 WeakPolarHBondContact O-CB 3.5Å; A41-C45 PolarHBondContact O-N 2.86Å; G42-C45 PolarHBondContact O-N 3.12Å; C45-A47 PolarHBondContact O-N 2.81Å; C45-A48 PolarHBondContact O-N 3.43Å; C45-L49 WeakPolarHBondContact O-CG 3.48Å; C45-L49 PolarHBondContact O-N 3Å
46K98.7Very high98.1Very high43 Ų4369.8 Ų69.819%0.18735%0.353CS..Hα-helixtrans-59.1-47.4175.5172.3165.7167.446.60111.6G42 V43 A48 L49 D50 P55 T58 F60G42-K46 PolarHBondContact O-N 3.17Å; V43-K46 PolarHBondContact O-N 3.44Å; K46-A48 VanDerWaalsContact C-N 3.31Å; K46-A48 PolarHBondContact O-N 3.09Å; K46-L49 PolarHBondContact O-N 3.36Å; K46-L49 VanDerWaalsContact O-N 3.11Å; K46-D50 VanDerWaalsContact NZ-CG 3.3Å; K46-D50 IonicContact NZ-OD1 3.54Å; K46-D50 PolarHBondContact NZ-OD1 3.19Å; K46-D50 IonicContact NZ-OD2 3.66Å; K46-D50 PolarHBondContact NZ-OD2 3.17Å; K46-D50 VanDerWaalsContact O-CG 3.23Å; K46-D50 PolarHBondContact O-N 3.42Å; K46-P55 PolarHBondContact NZ-O 2.96Å; K46-T58 PolarHBondContact NZ-O 3.38Å; K46-T58 VanDerWaalsContact NZ-O 3.15Å; K46-T58 PolarHBondContact NZ-OG1 2.81Å; K46-F60 HydrophobicContact CB-CB 4.21Å; K46-F60 HydrophobicContact CD-CB 3.91Å
47A98.5Very high98.1Very high54 Ų5471.5 Ų71.545%0.44636%0.36SS..Hα-helixtrans-57.9-43.5179.700000112.2V43 Q44 C45 L49 D50 E51V43-A47 WeakPolarHBondContact O-CB 3.34Å; V43-A47 PolarHBondContact O-N 3.4Å; Q44-A47 PolarHBondContact O-N 2.99Å; C45-A47 PolarHBondContact O-N 2.81Å; A47-L49 VanDerWaalsContact C-N 3.33Å; A47-L49 PolarHBondContact O-N 3.04Å; A47-D50 PolarHBondContact O-N 3.01Å; A47-E51 PolarHBondContact O-N 3.03Å
48A98.5Very high98.1Very high27 Ų2764 Ų6422%0.22333%0.332CS..Hα-helixtrans-67.6-30.3177.300000113.4Q44 C45 K46 Q52Q44-A48 WeakPolarHBondContact O-CB 3.42Å; Q44-A48 PolarHBondContact O-N 3.15Å; C45-A48 PolarHBondContact O-N 3.43Å; K46-A48 VanDerWaalsContact C-N 3.31Å; K46-A48 PolarHBondContact O-N 3.09Å; A48-Q52 PolarHBondContact O-NE2 3.24Å
49L98.3Very high98.1Very high0 Ų062.6 Ų62.60%033%0.325CS..Hα-helixtrans-74.8-34.3173.9-69.4170.8000111.8A22 E23 L26 L34 C45 K46 A47 E51 Q52 F53 T58A22-L49 HydrophobicContact CB-CD1 4.47Å; E23-L49 HydrophobicContact CG-CD2 3.54Å; L26-L49 HydrophobicContact CD1-CB 4.37Å; L26-L49 HydrophobicContact CD1-CD1 3.99Å; L26-L49 HydrophobicContact CD1-CD2 4.04Å; L26-L49 HydrophobicContact CD1-CG 4.37Å; L34-L49 HydrophobicContact CD1-CD1 4.35Å; L34-L49 HydrophobicContact CD2-CD1 3.59Å; C45-L49 WeakPolarHBondContact O-CG 3.48Å; C45-L49 PolarHBondContact O-N 3Å; K46-L49 PolarHBondContact O-N 3.36Å; K46-L49 VanDerWaalsContact O-N 3.11Å; A47-L49 VanDerWaalsContact C-N 3.33Å; A47-L49 PolarHBondContact O-N 3.04Å; L49-E51 PolarHBondContact O-N 2.91Å; L49-Q52 PolarHBondContact O-N 2.82Å; L49-F53 HydrophobicContact CB-CD2 4.42Å; L49-F53 HydrophobicContact CD2-CD2 4.23Å; L49-F53 HydrophobicContact CD2-CE2 4.07Å; L49-F53 WeakPolarHBondContact O-CD2 3.4Å; L49-F53 PolarHBondContact O-N 2.92Å; L49-T58 HydrophobicContact CB-CG2 4.38Å
50D95.9Very high98.1Very high45 Ų4560 Ų6024%0.24131%0.31CS..Hα-helixtrans-66.9-17.1177.7-69.1-8.1000112.6K46 A47 Q52 F53 P55 T58K46-D50 VanDerWaalsContact NZ-CG 3.3Å; K46-D50 IonicContact NZ-OD1 3.54Å; K46-D50 PolarHBondContact NZ-OD1 3.19Å; K46-D50 IonicContact NZ-OD2 3.66Å; K46-D50 PolarHBondContact NZ-OD2 3.17Å; K46-D50 VanDerWaalsContact O-CG 3.23Å; K46-D50 PolarHBondContact O-N 3.42Å; A47-D50 PolarHBondContact O-N 3.01Å; D50-Q52 VanDerWaalsContact C-N 3.33Å; D50-F53 CarbonylContact C-O 3.47Å; D50-F53 WeakPolarHBondContact CA-O 3.38Å; D50-F53 VanDerWaalsContact O-O 3.07Å; D50-P55 HydrophobicContact CB-CB 4.44Å; D50-P55 HydrophobicContact CB-CG 4.23Å; D50-T58 PolarHBondContact OD1-OG1 2.83Å
51E97.6Very high98.2Very high168 Ų16854.2 Ų54.279%0.78528%0.283SS*.THydrogen-bonded Turntrans-73.3-25.1170.1-66.2179.3-174.900113A47 L49A47-E51 PolarHBondContact O-N 3.03Å; L49-E51 PolarHBondContact O-N 2.91Å
52Q97.5Very high98.2Very high126 Ų12658.1 Ų58.159%0.58930%0.298SS*.THydrogen-bonded Turntrans-108.2-25.9-174.9-64.3174.561.200112.6A48 L49 D50A48-Q52 PolarHBondContact O-NE2 3.24Å; L49-Q52 PolarHBondContact O-N 2.82Å; D50-Q52 VanDerWaalsContact C-N 3.33Å
53F98.2Very high98.2Very high37 Ų3758.1 Ų58.116%0.16230%0.298CS..SBendtrans-130.7150.7-175.3-55.2-74.1000110.3L26 L27 L49 D50L26-F53 HydrophobicContact CB-CD1 3.9Å; L26-F53 HydrophobicContact CB-CD2 3.9Å; L26-F53 HydrophobicContact CB-CE1 3.8Å; L26-F53 HydrophobicContact CB-CE2 3.81Å; L26-F53 HydrophobicContact CB-CG 3.94Å; L26-F53 HydrophobicContact CB-CZ 3.75Å; L26-F53 HydrophobicContact CD1-CD2 3.72Å; L26-F53 HydrophobicContact CD1-CE2 4.01Å; L26-F53 HydrophobicContact CD1-CG 4.27Å; L26-F53 HydrophobicContact CG-CD2 4.34Å; L26-F53 HydrophobicContact CG-CG 4.49Å; L27-F53 HydrophobicContact CB-CE1 4.5Å; L27-F53 HydrophobicContact CB-CZ 4.45Å; L27-F53 HydrophobicContact CD1-CE1 4.31Å; L27-F53 HydrophobicContact CD1-CZ 4.41Å; L49-F53 HydrophobicContact CB-CD2 4.42Å; L49-F53 HydrophobicContact CD2-CD2 4.23Å; L49-F53 HydrophobicContact CD2-CE2 4.07Å; L49-F53 WeakPolarHBondContact O-CD2 3.4Å; L49-F53 PolarHBondContact O-N 2.92Å; D50-F53 CarbonylContact C-O 3.47Å; D50-F53 WeakPolarHBondContact CA-O 3.38Å; D50-F53 VanDerWaalsContact O-O 3.07Å
54E97.6Very high98.2Very high114 Ų11456.5 Ų56.553%0.53329%0.286SS..  trans-49.6124.2171.5-89179.3-158.300112.2Q56 K57E54-Q56 VanDerWaalsContact CB-CD 3.48Å; E54-Q56 HydrophobicContact CB-CG 4.24Å; E54-Q56 PolarHBondContact O-N 3Å; E54-Q56 PolarHBondContact OE2-NE2 3.01Å; E54-K57 HydrophobicContact CB-CG 3.83Å; E54-K57 WeakPolarHBondContact O-CB 3.22Å; E54-K57 WeakPolarHBondContact O-CG 3.32Å; E54-K57 PolarHBondContact O-N 3.22Å
55P97.1Very high98.2Very high71 Ų7151.7 Ų51.746%0.46127%0.265SS..G310 helixtrans-56.6-25.7-172.7-29.134.7000115.9K46 D50 K57 T58K46-P55 PolarHBondContact NZ-O 2.96Å; D50-P55 HydrophobicContact CB-CB 4.44Å; D50-P55 HydrophobicContact CB-CG 4.23Å; P55-K57 PolarHBondContact O-N 3.38Å; P55-T58 PolarHBondContact O-N 3.48Å; P55-T58 PolarHBondContact O-OG1 3.38Å
56Q96.7Very high98.2Very high109 Ų10953.1 Ų53.151%0.50928%0.276SS..G310 helixtrans-71.6-11.3174.762.4-87.326.100113.8E54 T58E54-Q56 VanDerWaalsContact CB-CD 3.48Å; E54-Q56 HydrophobicContact CB-CG 4.24Å; E54-Q56 PolarHBondContact O-N 3Å; E54-Q56 PolarHBondContact OE2-NE2 3.01Å; Q56-T58 VanDerWaalsContact C-N 3.3Å
57K98.3Very high98.2Very high47 Ų4753.9 Ų53.920%0.20428%0.283CS..G310 helixtrans-80.7-14.7175.1-64.7-74.1-165156.20111.8L26 G29 K31 V32 E54 P55L26-K57 HydrophobicContact CD2-CB 3.64Å; G29-K57 PolarHBondContact O-NZ 3.32Å; G29-K57 VanDerWaalsContact O-NZ 3.11Å; K31-K57 CarbonylContact C-O 3.57Å; K31-K57 VanDerWaalsContact CA-O 3.26Å; K31-K57 WeakPolarHBondContact CA-O 3.34Å; K31-K57 HydrophobicContact CG-CD 4.09Å; V32-K57 PolarHBondContact N-O 3.46Å; E54-K57 HydrophobicContact CB-CG 3.83Å; E54-K57 WeakPolarHBondContact O-CB 3.22Å; E54-K57 WeakPolarHBondContact O-CG 3.32Å; E54-K57 PolarHBondContact O-N 3.22Å; P55-K57 PolarHBondContact O-N 3.38Å
58T98.6Very high98.1Very high4 Ų456.1 Ų56.13%0.02528%0.284CS..EExtended strand (participates in β ladder)trans-126.4138.1-175.360.40000111.8L26 V32 L34 K46 L49 D50 P55 Q56L26-T58 HydrophobicContact CD1-CG2 3.63Å; L26-T58 HydrophobicContact CD2-CG2 3.71Å; L26-T58 HydrophobicContact CG-CG2 4.3Å; V32-T58 VanDerWaalsContact O-CA 3.3Å; V32-T58 WeakPolarHBondContact O-CA 3.48Å; L34-T58 HydrophobicContact CD1-CG2 4.02Å; K46-T58 PolarHBondContact NZ-O 3.38Å; K46-T58 VanDerWaalsContact NZ-O 3.15Å; K46-T58 PolarHBondContact NZ-OG1 2.81Å; L49-T58 HydrophobicContact CB-CG2 4.38Å; D50-T58 PolarHBondContact OD1-OG1 2.83Å; P55-T58 PolarHBondContact O-N 3.48Å; P55-T58 PolarHBondContact O-OG1 3.38Å; Q56-T58 VanDerWaalsContact C-N 3.3Å
59L98.8Very high98.1Very high32 Ų3259.3 Ų59.317%0.16829%0.294CS..EExtended strand (participates in β ladder)trans-126.4129.5170.7173.466.8000107.9V32 A33 L34 I61 H81 F82V32-L59 PolarHBondContact O-N 2.73Å; A33-L59 CarbonylContact C-O 3.6Å; A33-L59 VanDerWaalsContact CA-O 3.3Å; A33-L59 WeakPolarHBondContact CA-O 3.4Å; L34-L59 PolarHBondContact N-O 2.95Å; L59-I61 HydrophobicContact CD2-CD1 3.83Å; L59-I61 HydrophobicContact CD2-CG1 4.07Å; L59-I61 HydrophobicContact CG-CD1 4.34Å; L59-I61 HydrophobicContact CG-CG1 4.01Å; L59-H81 HydrophobicContact CD2-CB 3.79Å; L59-F82 HydrophobicContact CB-CE2 3.77Å; L59-F82 HydrophobicContact CB-CZ 3.76Å; L59-F82 HydrophobicContact CD2-CE2 4.32Å
60F98.9Very high98.2Very high35 Ų3562.8 Ų62.815%0.15431%0.311CS..EExtended strand (participates in β ladder)trans-101134.5170.9174.8-109.2000110.6L34 D36 L39 G42 V43 K46 Q62L34-F60 HydrophobicContact CB-CD2 4.19Å; L34-F60 WeakPolarHBondContact O-CA 3.24Å; L34-F60 VanDerWaalsContact O-CD2 3.26Å; L34-F60 WeakPolarHBondContact O-CD2 3.46Å; D36-F60 HydrophobicContact CB-CE2 4.08Å; L39-F60 HydrophobicContact CD1-CE1 3.89Å; G42-F60 VanDerWaalsContact CA-CE2 3.4Å; V43-F60 HydrophobicContact CG2-CD1 3.97Å; V43-F60 HydrophobicContact CG2-CE1 4.04Å; K46-F60 HydrophobicContact CB-CB 4.21Å; K46-F60 HydrophobicContact CD-CB 3.91Å; F60-Q62 HydrophobicContact CE1-CB 4.2Å; F60-Q62 HydrophobicContact CZ-CB 4.14Å
61I98.9Very high98.3Very high13 Ų1360.8 Ų60.87%0.06730%0.3CS..EExtended strand (participates in β ladder)trans-132.1121.3173-51.9178.3000108.7L34 V35 D36 L59 C63 T74 K77 V78L34-I61 PolarHBondContact O-N 2.88Å; V35-I61 WeakPolarHBondContact CA-O 3.17Å; D36-I61 PolarHBondContact N-O 2.92Å; L59-I61 HydrophobicContact CD2-CD1 3.83Å; L59-I61 HydrophobicContact CD2-CG1 4.07Å; L59-I61 HydrophobicContact CG-CD1 4.34Å; L59-I61 HydrophobicContact CG-CG1 4.01Å; I61-C63 PolarHBondContact O-N 2.76Å; I61-T74 HydrophobicContact CB-CG2 4.25Å; I61-T74 HydrophobicContact CD1-CG2 4.02Å; I61-T74 HydrophobicContact CG2-CG2 4.04Å; I61-K77 HydrophobicContact CD1-CB 3.75Å; I61-K77 HydrophobicContact CD1-CD 4.46Å; I61-K77 HydrophobicContact CG2-CD 4.31Å; I61-V78 HydrophobicContact CD1-CG2 3.59Å
62Q98.9Very high98.4Very high100 Ų10057.5 Ų57.547%0.46728%0.28SS..EExtended strand (participates in β ladder)trans-70.9125169.9-169.2-173.91100110D36 W37 L39 F60D36-Q62 CarbonylContact O-C 3.49Å; D36-Q62 VanDerWaalsContact O-CA 3.23Å; D36-Q62 WeakPolarHBondContact O-CA 3.33Å; W37-Q62 PolarHBondContact O-NE2 3.09Å; L39-Q62 HydrophobicContact CB-CG 4.37Å; L39-Q62 HydrophobicContact CD1-CB 4.4Å; F60-Q62 HydrophobicContact CE1-CB 4.2Å; F60-Q62 HydrophobicContact CZ-CB 4.14Å
63C98.8Very high98.4Very high1 Ų153.8 Ų53.81%0.00726%0.264CS..  trans-156129.2179.1174.30000111.5V35 D36 W37 I61 T74V35-C63 HydrophobicContact CG1-CB 3.64Å; D36-C63 CarbonylContact C-O 3.45Å; D36-C63 PolarHBondContact O-N 2.77Å; W37-C63 VanDerWaalsContact CA-O 3.3Å; W37-C63 WeakPolarHBondContact CA-O 3.15Å; W37-C63 PolarHBondContact N-O 2.84Å; I61-C63 PolarHBondContact O-N 2.76Å; C63-T74 HydrophobicContact CB-CG2 4.44Å; C63-T74 WeakPolarHBondContact CB-OG1 3.49Å; C63-T74 PolarHBondContact SG-OG1 3.38Å; C63-T74 VanDerWaalsContact SG-OG1 3.39Å
64D98.8Very high98.5Very high45 Ų4552.1 Ų52.124%0.24126%0.257CS..  trans-80.2114.5158.6-172.1-15.9000109A66 D67 Q70D64-A66 PolarHBondContact O-N 2.73Å; D64-A66 WeakPolarHBondContact OD1-CB 3.46Å; D64-A66 PolarHBondContact OD1-N 2.82Å; D64-D67 HydrophobicContact CB-CB 4.37Å; D64-D67 PolarHBondContact O-N 2.73Å; D64-Q70 VanDerWaalsContact N-OE1 3.12Å
65V98.7Very high98.5Very high12 Ų1246.7 Ų46.77%0.07323%0.232CC..THydrogen-bonded Turntrans-66.2-19.4-178.7-62.20000113.2T11 D67 L71 A92 I106 S110T11-V65 HydrophobicContact CG2-CG1 4.02Å; V65-D67 VanDerWaalsContact C-N 3.32Å; V65-L71 HydrophobicContact CB-CD1 4.42Å; V65-L71 HydrophobicContact CG1-CD1 4.19Å; V65-A92 HydrophobicContact CG1-CB 4.19Å; V65-A92 HydrophobicContact CG2-CB 3.92Å; V65-I106 HydrophobicContact CG2-CG2 4.25Å; V65-S110 WeakPolarHBondContact CG2-OG 3.22Å; V65-S110 WeakPolarHBondContact O-CB 3.24Å
66A98.4Very high98.6Very high32 Ų3248.1 Ų48.126%0.26423%0.228SC..THydrogen-bonded Turntrans-79.1-16.5174.500000112.5D64 Q68 Q105 I106D64-A66 PolarHBondContact O-N 2.73Å; D64-A66 WeakPolarHBondContact OD1-CB 3.46Å; D64-A66 PolarHBondContact OD1-N 2.82Å; A66-Q68 PolarHBondContact O-N 3.36Å; A66-Q105 HydrophobicContact CB-CB 4.27Å; A66-I106 HydrophobicContact CB-CG1 4.08Å
67D98.7Very high98.7Very high60 Ų6047.5 Ų47.532%0.32122%0.224SC..  trans-86.5104.8170.2-177.1-32.4000109.4D64 V65 Q69 Q70 L71D64-D67 HydrophobicContact CB-CB 4.37Å; D64-D67 PolarHBondContact O-N 2.73Å; V65-D67 VanDerWaalsContact C-N 3.32Å; D67-Q69 PolarHBondContact O-N 3.39Å; D67-Q69 PolarHBondContact OD1-N 3.4Å; D67-Q70 HydrophobicContact CB-CB 3.97Å; D67-Q70 HydrophobicContact CB-CG 3.98Å; D67-Q70 PolarHBondContact O-N 3.25Å; D67-Q70 PolarHBondContact OD1-N 3.41Å; D67-Q70 WeakPolarHBondContact OD2-CG 3.44Å; D67-Q70 PolarHBondContact OD2-NE2 3.26Å; D67-L71 WeakPolarHBondContact O-CB 3.21Å; D67-L71 PolarHBondContact O-N 2.9Å
68Q98.1Very high98.7Very high100 Ų10045.3 Ų45.347%0.46721%0.214SC..Hα-helixtrans-62.6-29.5-176-62.4-171.117.200113.7A66 R72A66-Q68 PolarHBondContact O-N 3.36Å; Q68-R72 WeakPolarHBondContact O-CB 3.12Å; Q68-R72 WeakPolarHBondContact O-CG 3.26Å; Q68-R72 PolarHBondContact O-N 3.02Å
69Q98.6Very high98.7Very high94 Ų9446.5 Ų46.544%0.43922%0.222SC..Hα-helixtrans-74.9-44.2179.1-173.754.643.700110.1D67 L71 R72 D73D67-Q69 PolarHBondContact O-N 3.39Å; D67-Q69 PolarHBondContact OD1-N 3.4Å; Q69-L71 VanDerWaalsContact C-N 3.28Å; Q69-L71 PolarHBondContact O-N 3.44Å; Q69-R72 PolarHBondContact O-N 3.2Å; Q69-D73 PolarHBondContact NE2-OD2 3.48Å; Q69-D73 WeakPolarHBondContact O-CB 3.45Å; Q69-D73 PolarHBondContact O-N 3.05Å
70Q98.8Very high98.7Very high74 Ų7450.2 Ų50.235%0.34624%0.241SC..Hα-helixtrans-59-41.5172.3-70.1-177.547.800111.9D64 D67 D73 T74D64-Q70 VanDerWaalsContact N-OE1 3.12Å; D67-Q70 HydrophobicContact CB-CB 3.97Å; D67-Q70 HydrophobicContact CB-CG 3.98Å; D67-Q70 PolarHBondContact O-N 3.25Å; D67-Q70 PolarHBondContact OD1-N 3.41Å; D67-Q70 WeakPolarHBondContact OD2-CG 3.44Å; D67-Q70 PolarHBondContact OD2-NE2 3.26Å; Q70-D73 PolarHBondContact O-N 3.24Å; Q70-T74 WeakPolarHBondContact O-CB 3.34Å; Q70-T74 PolarHBondContact O-N 3.16Å; Q70-T74 PolarHBondContact O-OG1 3.19Å
71L98.8Very high98.7Very high2 Ų253.4 Ų53.41%0.0126%0.257CS..Hα-helixtrans-64.4-45.8178.7-168.261.9000111.1V65 D67 Q69 D73 T74 F75 L117V65-L71 HydrophobicContact CB-CD1 4.42Å; V65-L71 HydrophobicContact CG1-CD1 4.19Å; D67-L71 WeakPolarHBondContact O-CB 3.21Å; D67-L71 PolarHBondContact O-N 2.9Å; Q69-L71 VanDerWaalsContact C-N 3.28Å; Q69-L71 PolarHBondContact O-N 3.44Å; L71-D73 PolarHBondContact O-N 3.11Å; L71-T74 WeakPolarHBondContact O-CB 3.41Å; L71-T74 PolarHBondContact O-N 2.75Å; L71-F75 HydrophobicContact CD1-CD2 4.26Å; L71-F75 HydrophobicContact CD1-CE2 3.86Å; L71-F75 HydrophobicContact CG-CD2 4.3Å; L71-F75 HydrophobicContact CG-CE2 4.05Å; L71-F75 WeakPolarHBondContact O-CD2 3.3Å; L71-F75 PolarHBondContact O-N 3.5Å; L71-F75 VanDerWaalsContact O-N 3.08Å; L71-L117 HydrophobicContact CB-CD1 4.3Å; L71-L117 HydrophobicContact CD2-CD1 3.99Å; L71-L117 HydrophobicContact CG-CD1 3.74Å
72R98.9Very high98.7Very high99 Ų9953.8 Ų53.837%0.37426%0.258SS..Hα-helixtrans-56.2-48.6173.3-81.6-172.8-66.3-90.22.7112.4Q68 Q69 T74 F75 R76 L117Q68-R72 WeakPolarHBondContact O-CB 3.12Å; Q68-R72 WeakPolarHBondContact O-CG 3.26Å; Q68-R72 PolarHBondContact O-N 3.02Å; Q69-R72 PolarHBondContact O-N 3.2Å; R72-T74 PolarHBondContact O-N 3.1Å; R72-F75 PolarHBondContact O-N 2.84Å; R72-R76 PolarHBondContact O-N 3.1Å; R72-R76 VanDerWaalsContact O-N 3.12Å; R72-L117 HydrophobicContact CG-CD1 4.14Å; R72-L117 HydrophobicContact CG-CD2 3.7Å
73D98.8Very high98.7Very high49 Ų4952 Ų5226%0.26227%0.267SS..Hα-helixtrans-64.3-32.1179.3-79.7-47.1000112.4Q69 Q70 L71 R76 K77Q69-D73 PolarHBondContact NE2-OD2 3.48Å; Q69-D73 WeakPolarHBondContact O-CB 3.45Å; Q69-D73 PolarHBondContact O-N 3.05Å; Q70-D73 PolarHBondContact O-N 3.24Å; L71-D73 PolarHBondContact O-N 3.11Å; D73-R76 IonicContact OD1-NE 3.45Å; D73-R76 IonicContact OD1-NH2 3.15Å; D73-K77 WeakPolarHBondContact O-CB 3.32Å; D73-K77 WeakPolarHBondContact O-CG 3.45Å; D73-K77 PolarHBondContact O-N 3.38Å
74T98.9Very high98.7Very high2 Ų255.8 Ų55.81%0.01228%0.281CS..Hα-helixtrans-64.9-51175.1-63.80000111.1V35 I61 C63 Q70 L71 R72 R76 K77 V78V35-T74 HydrophobicContact CB-CG2 4.38Å; V35-T74 HydrophobicContact CG1-CG2 3.81Å; V35-T74 HydrophobicContact CG2-CG2 3.57Å; I61-T74 HydrophobicContact CB-CG2 4.25Å; I61-T74 HydrophobicContact CD1-CG2 4.02Å; I61-T74 HydrophobicContact CG2-CG2 4.04Å; C63-T74 HydrophobicContact CB-CG2 4.44Å; C63-T74 WeakPolarHBondContact CB-OG1 3.49Å; C63-T74 PolarHBondContact SG-OG1 3.38Å; C63-T74 VanDerWaalsContact SG-OG1 3.39Å; Q70-T74 WeakPolarHBondContact O-CB 3.34Å; Q70-T74 PolarHBondContact O-N 3.16Å; Q70-T74 PolarHBondContact O-OG1 3.19Å; L71-T74 WeakPolarHBondContact O-CB 3.41Å; L71-T74 PolarHBondContact O-N 2.75Å; R72-T74 PolarHBondContact O-N 3.1Å; T74-R76 VanDerWaalsContact C-N 3.3Å; T74-R76 PolarHBondContact O-N 2.9Å; T74-K77 PolarHBondContact O-N 3.07Å; T74-V78 WeakPolarHBondContact O-CG2 3.43Å; T74-V78 PolarHBondContact O-N 3.15Å
75F98.9Very high98.7Very high0 Ų054.2 Ų54.20%027%0.272CS..Hα-helixtrans-57.8-44.4177.6-86.1-108.3000111.7L9 L71 R72 K77 V78 V79 L85 L88 G114 L117 Y121L9-F75 HydrophobicContact CD1-CD1 4.13Å; L9-F75 HydrophobicContact CD1-CD2 3.94Å; L9-F75 HydrophobicContact CD1-CE1 4.13Å; L9-F75 HydrophobicContact CD1-CE2 3.96Å; L9-F75 HydrophobicContact CD1-CG 4.05Å; L9-F75 HydrophobicContact CD1-CZ 4.06Å; L71-F75 HydrophobicContact CD1-CD2 4.26Å; L71-F75 HydrophobicContact CD1-CE2 3.86Å; L71-F75 HydrophobicContact CG-CD2 4.3Å; L71-F75 HydrophobicContact CG-CE2 4.05Å; L71-F75 WeakPolarHBondContact O-CD2 3.3Å; L71-F75 PolarHBondContact O-N 3.5Å; L71-F75 VanDerWaalsContact O-N 3.08Å; R72-F75 PolarHBondContact O-N 2.84Å; F75-K77 PolarHBondContact O-N 3.16Å; F75-V78 PolarHBondContact O-N 2.79Å; F75-V79 PolarHBondContact O-N 3.08Å; F75-V79 VanDerWaalsContact O-N 3.07Å; F75-L85 HydrophobicContact CD1-CD2 3.9Å; F75-L85 HydrophobicContact CE1-CD2 3.86Å; F75-L88 HydrophobicContact CE1-CD1 4.15Å; F75-L88 HydrophobicContact CE1-CD2 4.09Å; F75-L88 HydrophobicContact CZ-CD1 3.65Å; F75-L88 HydrophobicContact CZ-CD2 3.83Å; F75-L88 HydrophobicContact CZ-CG 4.39Å; F75-G114 WeakPolarHBondContact CZ-O 3.4Å; F75-L117 HydrophobicContact CD1-CB 3.8Å; F75-L117 HydrophobicContact CD2-CB 4.05Å; F75-L117 HydrophobicContact CD2-CD1 3.88Å; F75-L117 HydrophobicContact CE1-CB 3.75Å; F75-L117 HydrophobicContact CE2-CB 4Å; F75-L117 HydrophobicContact CE2-CD1 4.02Å; F75-L117 HydrophobicContact CG-CB 3.94Å; F75-L117 HydrophobicContact CG-CD1 4.39Å; F75-L117 HydrophobicContact CZ-CB 3.84Å; F75-Y121 HydrophobicContact CB-CD2 4.19Å; F75-Y121 HydrophobicContact CB-CE2 3.69Å; F75-Y121 HydrophobicContact CD1-CD2 4.02Å; F75-Y121 HydrophobicContact CD1-CE2 4.34Å; F75-Y121 HydrophobicContact CG-CE2 4.45Å
76R98.8Very high98.7Very high100 Ų10053.7 Ų53.738%0.37727%0.269SS..Hα-helixtrans-57.1-51.1175.5-175.7-174.558.877.2-5.9111.5R72 D73 T74 V78 V79 D80R72-R76 PolarHBondContact O-N 3.1Å; R72-R76 VanDerWaalsContact O-N 3.12Å; D73-R76 IonicContact OD1-NE 3.45Å; D73-R76 IonicContact OD1-NH2 3.15Å; T74-R76 VanDerWaalsContact C-N 3.3Å; T74-R76 PolarHBondContact O-N 2.9Å; R76-V78 VanDerWaalsContact C-N 3.3Å; R76-V78 PolarHBondContact O-N 3.3Å; R76-V79 PolarHBondContact O-N 3.38Å; R76-D80 IonicContact CZ-OD2 2.71Å; R76-D80 IonicContact NH1-OD2 2.82Å; R76-D80 PolarHBondContact NH1-OD2 3.35Å; R76-D80 WeakPolarHBondContact O-CB 3.31Å; R76-D80 PolarHBondContact O-N 3.23Å
77K98.9Very high98.7Very high96 Ų9652.2 Ų52.242%0.41726%0.257SS..Hα-helixtrans-59.3-37.8178.8-73.9168.5-173.1174.30112.9I61 D73 T74 F75 H81I61-K77 HydrophobicContact CD1-CB 3.75Å; I61-K77 HydrophobicContact CD1-CD 4.46Å; I61-K77 HydrophobicContact CG2-CD 4.31Å; D73-K77 WeakPolarHBondContact O-CB 3.32Å; D73-K77 WeakPolarHBondContact O-CG 3.45Å; D73-K77 PolarHBondContact O-N 3.38Å; T74-K77 PolarHBondContact O-N 3.07Å; F75-K77 PolarHBondContact O-N 3.16Å; K77-H81 VanDerWaalsContact O-CB 3.23Å; K77-H81 WeakPolarHBondContact O-CB 3.23Å; K77-H81 PolarHBondContact O-N 3.45Å
78V98.9Very high98.7Very high1 Ų149.3 Ų49.31%0.00624%0.241CC..Hα-helixtrans-63.6-47.3176.8172.20000110.8V7 L9 A33 I61 T74 F75 R76 H81 F82 L85V7-V78 HydrophobicContact CG1-CG1 4.33Å; L9-V78 HydrophobicContact CD1-CB 4.35Å; L9-V78 HydrophobicContact CD1-CG1 4.48Å; L9-V78 HydrophobicContact CD1-CG2 3.88Å; L9-V78 HydrophobicContact CG-CG2 4.25Å; A33-V78 HydrophobicContact CB-CB 4.29Å; A33-V78 HydrophobicContact CB-CG1 3.88Å; A33-V78 HydrophobicContact CB-CG2 3.39Å; I61-V78 HydrophobicContact CD1-CG2 3.59Å; T74-V78 WeakPolarHBondContact O-CG2 3.43Å; T74-V78 PolarHBondContact O-N 3.15Å; F75-V78 PolarHBondContact O-N 2.79Å; R76-V78 VanDerWaalsContact C-N 3.3Å; R76-V78 PolarHBondContact O-N 3.3Å; V78-H81 PolarHBondContact O-N 3.05Å; V78-F82 HydrophobicContact CG1-CD2 4.19Å; V78-F82 PolarHBondContact O-N 3.45Å; V78-L85 HydrophobicContact CG1-CD1 4.5Å
79V98.7Very high98.8Very high30 Ų3044.6 Ų44.618%0.18222%0.219CC..Hα-helixtrans-69-41179.3175.80000111.3F75 R76 H81 G83 L85 Y121F75-V79 PolarHBondContact O-N 3.08Å; F75-V79 VanDerWaalsContact O-N 3.07Å; R76-V79 PolarHBondContact O-N 3.38Å; V79-H81 VanDerWaalsContact C-N 3.25Å; V79-H81 PolarHBondContact O-N 3.1Å; V79-G83 WeakPolarHBondContact O-CA 3.41Å; V79-G83 PolarHBondContact O-N 3.23Å; V79-L85 HydrophobicContact CG2-CB 4.19Å; V79-Y121 HydrophobicContact CB-CD1 4.3Å; V79-Y121 HydrophobicContact CB-CE1 4.19Å; V79-Y121 HydrophobicContact CG1-CD1 4.29Å; V79-Y121 HydrophobicContact CG1-CE1 4.33Å; V79-Y121 HydrophobicContact CG2-CD1 3.65Å; V79-Y121 HydrophobicContact CG2-CE1 3.92Å; V79-Y121 HydrophobicContact CG2-CG 4.12Å
80D98.8Very high98.8Very high109 Ų10940.3 Ų40.358%0.58320%0.199SC*.Hα-helixtrans-58.8-38.1174.6-70.2-16.8000111.5R76R76-D80 IonicContact CZ-OD2 2.71Å; R76-D80 IonicContact NH1-OD2 2.82Å; R76-D80 PolarHBondContact NH1-OD2 3.35Å; R76-D80 WeakPolarHBondContact O-CB 3.31Å; R76-D80 PolarHBondContact O-N 3.23Å
81H98.8Very high98.8Very high103 Ų10337.8 Ų37.848%0.47719%0.188SC..Hα-helixtrans-80.2-45.9-177.2-176.782.5000113.4L59 K77 V78 V79L59-H81 HydrophobicContact CD2-CB 3.79Å; K77-H81 VanDerWaalsContact O-CB 3.23Å; K77-H81 WeakPolarHBondContact O-CB 3.23Å; K77-H81 PolarHBondContact O-N 3.45Å; V78-H81 PolarHBondContact O-N 3.05Å; V79-H81 VanDerWaalsContact C-N 3.25Å; V79-H81 PolarHBondContact O-N 3.1Å
82F98.7Very high98.8Very high21 Ų2138.4 Ų38.49%0.09219%0.193CC..Hα-helixtrans-100.3-11.4-174.7-69.1-54000114.6V7 K31 A33 L59 V78 R84V7-F82 HydrophobicContact CB-CB 4.38Å; V7-F82 HydrophobicContact CG1-CB 3.73Å; V7-F82 HydrophobicContact CG1-CD2 3.53Å; V7-F82 HydrophobicContact CG1-CE2 4.38Å; V7-F82 HydrophobicContact CG1-CG 3.86Å; V7-F82 HydrophobicContact CG2-CB 3.72Å; V7-F82 HydrophobicContact CG2-CG 4.24Å; K31-F82 HydrophobicContact CB-CD1 4.07Å; K31-F82 HydrophobicContact CB-CE1 3.81Å; K31-F82 HydrophobicContact CB-CZ 4.05Å; K31-F82 HydrophobicContact CD-CD1 3.6Å; K31-F82 HydrophobicContact CD-CE1 3.87Å; K31-F82 HydrophobicContact CD-CG 4.44Å; K31-F82 HydrophobicContact CG-CD1 4.44Å; K31-F82 HydrophobicContact CG-CE1 4.33Å; A33-F82 HydrophobicContact CB-CE2 4.2Å; L59-F82 HydrophobicContact CB-CE2 3.77Å; L59-F82 HydrophobicContact CB-CZ 3.76Å; L59-F82 HydrophobicContact CD2-CE2 4.32Å; V78-F82 HydrophobicContact CG1-CD2 4.19Å; V78-F82 PolarHBondContact O-N 3.45Å; F82-R84 VanDerWaalsContact C-N 3.26Å; F82-R84 PolarHBondContact O-N 3.33Å
83G98.4Very high98.8Very high63 Ų6334.8 Ų34.865%0.64919%0.187SC*.SBendtrans79.5-4.6179.600000115.3V79V79-G83 WeakPolarHBondContact O-CA 3.41Å; V79-G83 PolarHBondContact O-N 3.23Å
84R98.4Very high98.8Very high79 Ų7934.6 Ų34.630%0.29819%0.187SC..  trans-160.8168-179.164.5-171.8-67.2126.83.2111.7V7 F82 D86 E129V7-R84 HydrophobicContact CB-CG 4.07Å; V7-R84 WeakPolarHBondContact CB-O 3.42Å; V7-R84 WeakPolarHBondContact CG1-O 3.5Å; V7-R84 HydrophobicContact CG2-CG 3.49Å; V7-R84 VanDerWaalsContact CG2-CG 3.49Å; F82-R84 VanDerWaalsContact C-N 3.26Å; F82-R84 PolarHBondContact O-N 3.33Å; R84-D86 IonicContact CZ-OD1 3.02Å; R84-D86 IonicContact CZ-OD2 2.82Å; R84-D86 IonicContact NE-OD1 2.75Å; R84-D86 PolarHBondContact NE-OD1 2.92Å; R84-D86 IonicContact NE-OD2 3.38Å; R84-D86 PolarHBondContact NE-OD2 2.97Å; R84-D86 IonicContact NH2-OD1 3.56Å; R84-D86 PolarHBondContact NH2-OD1 3.37Å; R84-D86 IonicContact NH2-OD2 2.76Å; R84-E129 IonicContact CZ-OE2 3.55Å; R84-E129 IonicContact NH1-OE1 2.95Å; R84-E129 IonicContact NH1-OE2 3.35Å; R84-E129 PolarHBondContact NH1-OE2 2.7Å; R84-E129 VanDerWaalsContact NH1-OE2 3.15Å; R84-E129 IonicContact NH2-OE2 3.24Å; R84-E129 PolarHBondContact NH2-OE2 3.01Å
85L98.9Very high98.7Very high12 Ų1234.6 Ų34.66%0.06319%0.188CC..  trans-135.6131166.4-18063.8000108.1L9 F75 V78 V79 M122L9-L85 HydrophobicContact CB-CD1 3.78Å; F75-L85 HydrophobicContact CD1-CD2 3.9Å; F75-L85 HydrophobicContact CE1-CD2 3.86Å; V78-L85 HydrophobicContact CG1-CD1 4.5Å; V79-L85 HydrophobicContact CG2-CB 4.19Å; L85-M122 HydrophobicContact CB-CG 4.27Å; L85-M122 HydrophobicContact CD2-CG 4.17Å; L85-M122 HydrophobicContact CD2-SD 4.28Å; L85-M122 HydrophobicContact CG-CG 4.06Å; L85-M122 HydrophobicContact CG-SD 3.96Å; L85-M122 WeakPolarHBondContact O-CG 3.36Å
86D98.9Very high98.7Very high2 Ų236 Ų361%0.01120%0.195CC..  trans-121.7-34.2-179.1-63.7-87.7000113.1K6 V7 R84 M122 G131 I132K6-D86 HydrophobicContact CB-CB 4.02Å; K6-D86 HydrophobicContact CD-CB 3.62Å; K6-D86 VanDerWaalsContact CD-OD1 3.23Å; K6-D86 WeakPolarHBondContact CD-OD1 3.43Å; K6-D86 HydrophobicContact CG-CB 4.38Å; K6-D86 IonicContact NZ-OD1 3.15Å; K6-D86 PolarHBondContact NZ-OD1 3.08Å; V7-D86 PolarHBondContact N-OD2 2.86Å; V7-D86 PolarHBondContact O-N 3.08Å; R84-D86 IonicContact CZ-OD1 3.02Å; R84-D86 IonicContact CZ-OD2 2.82Å; R84-D86 IonicContact NE-OD1 2.75Å; R84-D86 PolarHBondContact NE-OD1 2.92Å; R84-D86 IonicContact NE-OD2 3.38Å; R84-D86 PolarHBondContact NE-OD2 2.97Å; R84-D86 IonicContact NH2-OD1 3.56Å; R84-D86 PolarHBondContact NH2-OD1 3.37Å; R84-D86 IonicContact NH2-OD2 2.76Å; D86-M122 VanDerWaalsContact C-SD 3.59Å; D86-G131 CarbonylContact O-C 3.46Å; D86-G131 WeakPolarHBondContact O-CA 3.5Å; D86-I132 PolarHBondContact O-N 2.87Å
87I98.9Very high98.7Very high0 Ų031.8 Ų31.80%018%0.18CC..EExtended strand (participates in β ladder)trans-129.8123.3-173.4-59.9159.1000107.7K6 V7 A8 L9 L25 V89 I132 I134 I233K6-I87 HydrophobicContact CB-CD1 3.9Å; V7-I87 PolarHBondContact O-N 2.85Å; A8-I87 CarbonylContact C-O 3.54Å; A8-I87 WeakPolarHBondContact CA-O 3.49Å; A8-I87 HydrophobicContact CB-CB 3.86Å; A8-I87 HydrophobicContact CB-CD1 4.41Å; A8-I87 HydrophobicContact CB-CG2 4.1Å; L9-I87 PolarHBondContact N-O 2.97Å; L25-I87 HydrophobicContact CD2-CD1 4.1Å; I87-V89 HydrophobicContact CG2-CG2 3.97Å; I87-I132 CarbonylContact C-O 3.51Å; I87-I132 WeakPolarHBondContact CA-O 3.3Å; I87-I132 HydrophobicContact CB-CG2 4.24Å; I87-I132 HydrophobicContact CG1-CG2 3.75Å; I87-I132 HydrophobicContact CG2-CG2 4.21Å; I87-I134 HydrophobicContact CG2-CD1 4.02Å; I87-I233 HydrophobicContact CD1-CD1 4.08Å; I87-I233 HydrophobicContact CD1-CG2 4.04Å; I87-I233 HydrophobicContact CG1-CG2 4.41Å; I87-I233 HydrophobicContact CG2-CD1 4.11Å; I87-I233 HydrophobicContact CG2-CG1 4.47Å
88L98.9Very high98.6Very high0 Ų032 Ų320%018%0.18CC..EExtended strand (participates in β ladder)trans-113.4127.2168.917163.2000109L9 F75 G114 M122 I132 I133 I134L9-L88 HydrophobicContact CB-CD1 4.24Å; L9-L88 HydrophobicContact CD2-CD1 3.8Å; L9-L88 HydrophobicContact CG-CD1 4.42Å; F75-L88 HydrophobicContact CE1-CD1 4.15Å; F75-L88 HydrophobicContact CE1-CD2 4.09Å; F75-L88 HydrophobicContact CZ-CD1 3.65Å; F75-L88 HydrophobicContact CZ-CD2 3.83Å; F75-L88 HydrophobicContact CZ-CG 4.39Å; L88-G114 WeakPolarHBondContact CD2-O 3.45Å; L88-M122 HydrophobicContact CB-CE 4.03Å; L88-I132 PolarHBondContact N-O 2.87Å; L88-I133 HydrophobicContact CB-CG1 4.15Å; L88-I133 HydrophobicContact CB-CG2 4.46Å; L88-I133 HydrophobicContact CD2-CD1 4.39Å; L88-I133 HydrophobicContact CD2-CG1 4.21Å; L88-I133 HydrophobicContact CD2-CG2 4.01Å; L88-I133 HydrophobicContact CG-CG2 4.28Å; L88-I133 CarbonylContact O-C 3.38Å; L88-I133 WeakPolarHBondContact O-CA 3.34Å; L88-I134 PolarHBondContact O-N 2.96Å
89V99Very high98.6Very high0 Ų036 Ų360%020%0.202CC..EExtended strand (participates in β ladder)trans-116.9101172.7-168.60000109.2L9 V10 T11 F21 I87 N91 I134 L229L9-V89 PolarHBondContact O-N 2.9Å; V10-V89 HydrophobicContact CB-CB 4.45Å; V10-V89 HydrophobicContact CG1-CB 4.23Å; V10-V89 HydrophobicContact CG2-CB 4.16Å; V10-V89 HydrophobicContact CG2-CG2 4.11Å; T11-V89 PolarHBondContact N-O 2.92Å; T11-V89 PolarHBondContact OG1-O 3.15Å; F21-V89 HydrophobicContact CD2-CG1 3.63Å; F21-V89 HydrophobicContact CE2-CG1 3.7Å; I87-V89 HydrophobicContact CG2-CG2 3.97Å; V89-N91 VanDerWaalsContact C-N 3.35Å; V89-N91 HydrophobicContact CG1-CB 4Å; V89-N91 PolarHBondContact O-N 2.87Å; V89-N91 VanDerWaalsContact O-N 3.07Å; V89-I134 CarbonylContact C-O 3.6Å; V89-I134 WeakPolarHBondContact CA-O 3.35Å; V89-I134 HydrophobicContact CG2-CD1 4.34Å; V89-L229 HydrophobicContact CG2-CD1 3.83Å; V89-L229 HydrophobicContact CG2-CD2 4.14Å
90N98.9Very high98.6Very high5 Ų539.8 Ų39.83%0.02721%0.213CC..EExtended strand (participates in β ladder)trans-79.785.9172.1-64.6-52000108.6V111 T115 I134 N135 M136N90-V111 HydrophobicContact CB-CB 4.46Å; N90-V111 HydrophobicContact CB-CG1 4.14Å; N90-V111 HydrophobicContact CB-CG2 4.19Å; N90-T115 PolarHBondContact ND2-OG1 3.01Å; N90-I134 PolarHBondContact N-O 3.22Å; N90-N135 WeakPolarHBondContact CB-OD1 3.32Å; N90-N135 PolarHBondContact ND2-OD1 2.86Å; N90-M136 PolarHBondContact O-N 2.92Å
91N98.9Very high98.6Very high21 Ų2139.4 Ų39.411%0.11221%0.208CC..  trans-106.4-26.6-175159.888.8000114.2T11 G12 G18 F21 V89 G93 M136T11-N91 WeakPolarHBondContact O-CB 3.34Å; T11-N91 PolarHBondContact O-ND2 3.24Å; T11-N91 PolarHBondContact OG1-N 3.34Å; G12-N91 PolarHBondContact O-ND2 3.21Å; G18-N91 VanDerWaalsContact CA-ND2 3.29Å; G18-N91 WeakPolarHBondContact CA-ND2 3.36Å; G18-N91 PolarHBondContact N-ND2 2.95Å; F21-N91 HydrophobicContact CD2-CB 4.22Å; F21-N91 HydrophobicContact CE2-CB 4.11Å; V89-N91 VanDerWaalsContact C-N 3.35Å; V89-N91 HydrophobicContact CG1-CB 4Å; V89-N91 PolarHBondContact O-N 2.87Å; V89-N91 VanDerWaalsContact O-N 3.07Å; N91-G93 PolarHBondContact O-N 3.45Å; N91-M136 HydrophobicContact CB-CB 4.49Å; N91-M136 HydrophobicContact CB-CG 3.64Å
92A98.6Very high98.6Very high14 Ų1439.4 Ų39.412%0.11621%0.206CC..  trans-50.2132.9179.900000111.9T11 V65T11-A92 PolarHBondContact O-N 2.84Å; T11-A92 PolarHBondContact OG1-N 3.09Å; V65-A92 HydrophobicContact CG1-CB 4.19Å; V65-A92 HydrophobicContact CG2-CB 3.92Å
93G98.2Very high98.6Very high24 Ų2438.4 Ų38.425%0.24720%0.202CC..  trans-168.4155.7-177.600000112.5N91 N107N91-G93 PolarHBondContact O-N 3.45Å; G93-N107 WeakPolarHBondContact CA-OD1 3.38Å
94V98.6Very high98.6Very high44 Ų4437.6 Ų37.627%0.26718%0.183SC..  trans-134.8158179.5-62.20000110.9I106 N107 Y151V94-I106 HydrophobicContact CG1-CD1 4.06Å; V94-I106 HydrophobicContact CG1-CG2 4.45Å; V94-I106 HydrophobicContact CG2-CB 4.3Å; V94-I106 HydrophobicContact CG2-CD1 4Å; V94-I106 HydrophobicContact CG2-CG2 4.41Å; V94-N107 PolarHBondContact N-OD1 3.45Å; V94-N107 PolarHBondContact O-ND2 3.3Å; V94-N107 PolarHBondContact O-OD1 3.35Å; V94-Y151 VanDerWaalsContact O-CD2 3.3Å; V94-Y151 WeakPolarHBondContact O-CD2 3.44Å; V94-Y151 WeakPolarHBondContact O-CE2 3.44Å
95N98.2Very high98.6Very high3 Ų338.1 Ų38.12%0.01619%0.189CC..  trans-113.2105.6164.6171.941.7000108.5Q148 Y151 I190 S193 N199N95-Q148 PolarHBondContact ND2-NE2 3.26Å; N95-Q148 PolarHBondContact OD1-NE2 3.46Å; N95-Y151 HydrophobicContact CB-CD2 4.42Å; N95-I190 HydrophobicContact CB-CG2 4.1Å; N95-S193 WeakPolarHBondContact CB-OG 3.4Å; N95-S193 PolarHBondContact ND2-OG 3.07Å; N95-N199 PolarHBondContact O-ND2 2.58Å
96N98.3Very high98.6Very high30 Ų3038.3 Ų38.316%0.1619%0.19CC..  trans-152.197.4174-164.1-35.1000110.3K98 N99 W100 T103 E198 N199N96-K98 WeakPolarHBondContact OD1-CB 3.33Å; N96-K98 PolarHBondContact OD1-N 2.92Å; N96-N99 CarbonylContact O-C 3.54Å; N96-N99 PolarHBondContact OD1-N 3.29Å; N96-W100 WeakPolarHBondContact O-CA 2.99Å; N96-W100 PolarHBondContact O-N 2.85Å; N96-T103 PolarHBondContact N-OG1 2.84Å; N96-T103 PolarHBondContact O-OG1 2.83Å; N96-E198 PolarHBondContact ND2-O 3.31Å; N96-E198 PolarHBondContact OD1-O 3.18Å; N96-N199 CarbonylContact C-O 3.44Å; N96-N199 WeakPolarHBondContact CA-O 3.36Å
97E98.4Very high98.6Very high11 Ų1138.2 Ų38.25%0.05119%0.189CC..SBendtrans-79.3-18.3175.4-65.9-64.314300112.8Q148 P149 V150 Y151 N199 Y203E97-Q148 HydrophobicContact CG-CB 4.46Å; E97-Q148 VanDerWaalsContact OE1-CA 3.29Å; E97-Q148 WeakPolarHBondContact OE1-CA 3.33Å; E97-P149 WeakPolarHBondContact OE2-CD 3.46Å; E97-V150 PolarHBondContact OE1-N 3.3Å; E97-V150 WeakPolarHBondContact OE2-CB 3.38Å; E97-V150 PolarHBondContact OE2-N 3.11Å; E97-Y151 WeakPolarHBondContact OE1-CB 3.39Å; E97-Y151 PolarHBondContact OE1-N 3.47Å; E97-N199 PolarHBondContact N-O 2.69Å; E97-Y203 HydrophobicContact CB-CD2 3.61Å; E97-Y203 HydrophobicContact CB-CE2 3.77Å; E97-Y203 HydrophobicContact CG-CD2 3.81Å; E97-Y203 HydrophobicContact CG-CE2 4.04Å
98K98Very high98.6Very high99 Ų9940 Ų4043%0.4320%0.198SC..THydrogen-bonded Turntrans-74.1-46.8174.1-167.5169.1-173.2164.10111.1N96 E197 N199N96-K98 WeakPolarHBondContact OD1-CB 3.33Å; N96-K98 PolarHBondContact OD1-N 2.92Å; K98-E197 IonicContact NZ-OE1 2.72Å; K98-E197 PolarHBondContact NZ-OE1 3.01Å; K98-N199 PolarHBondContact N-O 2.8Å
99N98.1Very high98.6Very high86 Ų8642.4 Ų42.446%0.4621%0.213SC..THydrogen-bonded Turntrans-103.655.9176.2-61.81.6000110N96 E101 K102 T103N96-N99 CarbonylContact O-C 3.54Å; N96-N99 PolarHBondContact OD1-N 3.29Å; N99-E101 VanDerWaalsContact C-N 3.33Å; N99-E101 PolarHBondContact O-N 2.8Å; N99-K102 WeakPolarHBondContact O-CB 3.41Å; N99-K102 PolarHBondContact O-N 2.89Å; N99-T103 PolarHBondContact O-N 2.96Å
100W98.6Very high98.6Very high109 Ų10942.7 Ų42.741%0.41322%0.215SC..Hα-helixtrans-68.5-27.1-165.764.8-96.8000114N96 K102 T103 L104 V150N96-W100 WeakPolarHBondContact O-CA 2.99Å; N96-W100 PolarHBondContact O-N 2.85Å; W100-K102 VanDerWaalsContact C-N 3.3Å; W100-K102 PolarHBondContact O-N 2.97Å; W100-T103 WeakPolarHBondContact O-CA 3.31Å; W100-T103 VanDerWaalsContact O-CB 3.31Å; W100-T103 WeakPolarHBondContact O-CB 3.43Å; W100-T103 PolarHBondContact O-N 3.43Å; W100-T103 VanDerWaalsContact O-N 3.16Å; W100-L104 HydrophobicContact CE3-CD1 3.87Å; W100-L104 HydrophobicContact CZ3-CD1 3.81Å; W100-L104 PolarHBondContact O-N 2.85Å; W100-V150 HydrophobicContact CB-CB 3.94Å; W100-V150 HydrophobicContact CB-CG1 3.88Å; W100-V150 HydrophobicContact CB-CG2 3.83Å; W100-V150 HydrophobicContact CD2-CG2 4.42Å; W100-V150 HydrophobicContact CE3-CG1 4.19Å; W100-V150 HydrophobicContact CE3-CG2 4.46Å; W100-V150 HydrophobicContact CG-CG2 4.17Å
101E98.8Very high98.6Very high101 Ų10142.6 Ų42.647%0.47221%0.214SC..Hα-helixtrans-61.6-43.4173.9-64.186.4159.400110.2N99 T103 L104 Q105N99-E101 VanDerWaalsContact C-N 3.33Å; N99-E101 PolarHBondContact O-N 2.8Å; E101-T103 VanDerWaalsContact C-N 3.29Å; E101-T103 PolarHBondContact O-N 2.95Å; E101-L104 PolarHBondContact O-N 3.01Å; E101-L104 VanDerWaalsContact O-N 3.16Å; E101-Q105 WeakPolarHBondContact O-CG 3.49Å; E101-Q105 PolarHBondContact O-N 3.33Å
102K98.4Very high98.6Very high103 Ų10343.8 Ų43.845%0.44822%0.22SC..Hα-helixtrans-65.1-36.3176.3-171.5171.1-177.6173.40110.9N99 W100 L104 Q105 I106N99-K102 WeakPolarHBondContact O-CB 3.41Å; N99-K102 PolarHBondContact O-N 2.89Å; W100-K102 VanDerWaalsContact C-N 3.3Å; W100-K102 PolarHBondContact O-N 2.97Å; K102-L104 VanDerWaalsContact C-N 3.35Å; K102-L104 PolarHBondContact O-N 2.88Å; K102-Q105 PolarHBondContact O-N 2.87Å; K102-I106 HydrophobicContact CD-CD1 4.43Å; K102-I106 HydrophobicContact CG-CD1 3.85Å; K102-I106 HydrophobicContact CG-CG1 4.44Å; K102-I106 WeakPolarHBondContact O-CG1 3.38Å; K102-I106 PolarHBondContact O-N 3.48Å
103T98.7Very high98.6Very high1 Ų144 Ų441%0.00622%0.221CC..Hα-helixtrans-59.7-43.1171.8-66.80000111.7N96 N99 W100 E101 N107N96-T103 PolarHBondContact N-OG1 2.84Å; N96-T103 PolarHBondContact O-OG1 2.83Å; N99-T103 PolarHBondContact O-N 2.96Å; W100-T103 WeakPolarHBondContact O-CA 3.31Å; W100-T103 VanDerWaalsContact O-CB 3.31Å; W100-T103 WeakPolarHBondContact O-CB 3.43Å; W100-T103 PolarHBondContact O-N 3.43Å; W100-T103 VanDerWaalsContact O-N 3.16Å; E101-T103 VanDerWaalsContact C-N 3.29Å; E101-T103 PolarHBondContact O-N 2.95Å; T103-N107 WeakPolarHBondContact O-CB 3.2Å; T103-N107 PolarHBondContact O-N 2.84Å
104L98.9Very high98.7Very high46 Ų4642.9 Ų42.924%0.24121%0.209CC..Hα-helixtrans-67.3-41.7175-70.2175000112.7W100 E101 K102 I106 L108 V109 V150W100-L104 HydrophobicContact CE3-CD1 3.87Å; W100-L104 HydrophobicContact CZ3-CD1 3.81Å; W100-L104 PolarHBondContact O-N 2.85Å; E101-L104 PolarHBondContact O-N 3.01Å; E101-L104 VanDerWaalsContact O-N 3.16Å; K102-L104 VanDerWaalsContact C-N 3.35Å; K102-L104 PolarHBondContact O-N 2.88Å; L104-I106 VanDerWaalsContact C-N 3.34Å; L104-I106 PolarHBondContact O-N 3.34Å; L104-L108 WeakPolarHBondContact O-CB 3.38Å; L104-L108 PolarHBondContact O-N 3.2Å; L104-V109 PolarHBondContact O-N 3.07Å; L104-V150 HydrophobicContact CD1-CG1 4.09Å; L104-V150 HydrophobicContact CD2-CG1 3.82Å; L104-V150 HydrophobicContact CG-CG1 3.64Å
105Q98.9Very high98.7Very high90 Ų9040.8 Ų40.842%0.42120%0.197SC..Iπ-helixtrans-58.9-46.3177.5-70.8-59.6-34.200111.5A66 E101 K102 V109 S110A66-Q105 HydrophobicContact CB-CB 4.27Å; E101-Q105 WeakPolarHBondContact O-CG 3.49Å; E101-Q105 PolarHBondContact O-N 3.33Å; K102-Q105 PolarHBondContact O-N 2.87Å; Q105-V109 WeakPolarHBondContact O-CB 3.17Å; Q105-S110 PolarHBondContact O-N 3.35Å
106I98.8Very high98.7Very high16 Ų1646.7 Ų46.78%0.08222%0.22CC..Iπ-helixtrans-75-54.6179-65.1168.1000110.7V65 A66 V94 K102 L104 L108 S110V65-I106 HydrophobicContact CG2-CG2 4.25Å; A66-I106 HydrophobicContact CB-CG1 4.08Å; V94-I106 HydrophobicContact CG1-CD1 4.06Å; V94-I106 HydrophobicContact CG1-CG2 4.45Å; V94-I106 HydrophobicContact CG2-CB 4.3Å; V94-I106 HydrophobicContact CG2-CD1 4Å; V94-I106 HydrophobicContact CG2-CG2 4.41Å; K102-I106 HydrophobicContact CD-CD1 4.43Å; K102-I106 HydrophobicContact CG-CD1 3.85Å; K102-I106 HydrophobicContact CG-CG1 4.44Å; K102-I106 WeakPolarHBondContact O-CG1 3.38Å; K102-I106 PolarHBondContact O-N 3.48Å; L104-I106 VanDerWaalsContact C-N 3.34Å; L104-I106 PolarHBondContact O-N 3.34Å; I106-L108 PolarHBondContact O-N 3.46Å; I106-S110 WeakPolarHBondContact O-CB 3.45Å; I106-S110 PolarHBondContact O-OG 3.16Å
107N98.9Very high98.7Very high0 Ų046.1 Ų46.10%022%0.216CC..Iπ-helixtrans-76.4-27.3-167.4-675.8000113.4G93 V94 T103 V111 Y151 S154 I158G93-N107 WeakPolarHBondContact CA-OD1 3.38Å; V94-N107 PolarHBondContact N-OD1 3.45Å; V94-N107 PolarHBondContact O-ND2 3.3Å; V94-N107 PolarHBondContact O-OD1 3.35Å; T103-N107 WeakPolarHBondContact O-CB 3.2Å; T103-N107 PolarHBondContact O-N 2.84Å; N107-V111 WeakPolarHBondContact O-CG2 3.35Å; N107-Y151 WeakPolarHBondContact ND2-CD2 3.21Å; N107-S154 WeakPolarHBondContact CB-OG 3.44Å; N107-S154 PolarHBondContact ND2-OG 2.87Å; N107-I158 WeakPolarHBondContact O-CD1 3.08Å
108L98.9Very high98.8Very high37 Ų3745.6 Ų45.619%0.19421%0.214CC..Iπ-helixtrans-118.2-56.4-174.2-179.659.3000112.4L104 I106 S110 V111 I112 I158L104-L108 WeakPolarHBondContact O-CB 3.38Å; L104-L108 PolarHBondContact O-N 3.2Å; I106-L108 PolarHBondContact O-N 3.46Å; L108-S110 PolarHBondContact O-N 2.98Å; L108-V111 PolarHBondContact O-N 2.77Å; L108-I112 HydrophobicContact CD1-CD1 3.99Å; L108-I112 HydrophobicContact CD1-CG1 4.44Å; L108-I112 HydrophobicContact CG-CD1 4.17Å; L108-I112 WeakPolarHBondContact O-CG1 3.4Å; L108-I112 PolarHBondContact O-N 3.43Å; L108-I112 VanDerWaalsContact O-N 3.08Å; L108-I158 HydrophobicContact CD1-CG1 4.15Å
109V98.9Very high98.8Very high50 Ų5042.3 Ų42.330%0.30320%0.201SC..Iπ-helixtrans-62.6-44.6-175.7-177.10000110.5L104 Q105 V111 I112 S113L104-V109 PolarHBondContact O-N 3.07Å; Q105-V109 WeakPolarHBondContact O-CB 3.17Å; V109-V111 VanDerWaalsContact C-N 3.32Å; V109-V111 PolarHBondContact O-N 3.21Å; V109-I112 PolarHBondContact O-N 3.09Å; V109-S113 WeakPolarHBondContact O-CB 3.47Å; V109-S113 PolarHBondContact O-N 3.47Å
110S98.9Very high98.8Very high7 Ų742.6 Ų42.65%0.04920%0.202CC..Hα-helixtrans-65.7-32.8178.7900000113.1V65 Q105 I106 L108 S113 G114V65-S110 WeakPolarHBondContact CG2-OG 3.22Å; V65-S110 WeakPolarHBondContact O-CB 3.24Å; Q105-S110 PolarHBondContact O-N 3.35Å; I106-S110 WeakPolarHBondContact O-CB 3.45Å; I106-S110 PolarHBondContact O-OG 3.16Å; L108-S110 PolarHBondContact O-N 2.98Å; S110-S113 PolarHBondContact O-N 3.04Å; S110-G114 PolarHBondContact O-N 2.73Å
111V98.9Very high98.9Very high2 Ų241.5 Ų41.51%0.01220%0.199CC..Hα-helixtrans-66.4-42.9175.71740000110.6N90 N107 L108 V109 T115 N135 I158N90-V111 HydrophobicContact CB-CB 4.46Å; N90-V111 HydrophobicContact CB-CG1 4.14Å; N90-V111 HydrophobicContact CB-CG2 4.19Å; N107-V111 WeakPolarHBondContact O-CG2 3.35Å; L108-V111 PolarHBondContact O-N 2.77Å; V109-V111 VanDerWaalsContact C-N 3.32Å; V109-V111 PolarHBondContact O-N 3.21Å; V111-T115 WeakPolarHBondContact O-CB 3.4Å; V111-T115 PolarHBondContact O-N 2.99Å; V111-T115 PolarHBondContact O-OG1 2.82Å; V111-N135 HydrophobicContact CG1-CB 3.89Å; V111-I158 HydrophobicContact CG1-CG1 4.32Å; V111-I158 HydrophobicContact CG1-CG2 4.4Å; V111-I158 HydrophobicContact CG2-CD1 4.23Å; V111-I158 HydrophobicContact CG2-CG1 4.45Å
112I98.9Very high98.9Very high47 Ų4736.8 Ų36.824%0.24118%0.177CC..Hα-helixtrans-63.7-48.5175.3-65.1167.8000109.8L108 V109 T115 Y116 F161L108-I112 HydrophobicContact CD1-CD1 3.99Å; L108-I112 HydrophobicContact CD1-CG1 4.44Å; L108-I112 HydrophobicContact CG-CD1 4.17Å; L108-I112 WeakPolarHBondContact O-CG1 3.4Å; L108-I112 PolarHBondContact O-N 3.43Å; L108-I112 VanDerWaalsContact O-N 3.08Å; V109-I112 PolarHBondContact O-N 3.09Å; I112-T115 PolarHBondContact O-N 2.94Å; I112-Y116 HydrophobicContact CG2-CD2 3.89Å; I112-Y116 HydrophobicContact CG2-CE2 3.45Å; I112-Y116 VanDerWaalsContact CG2-CE2 3.45Å; I112-Y116 PolarHBondContact O-N 3.16Å; I112-F161 HydrophobicContact CB-CE1 4.37Å; I112-F161 HydrophobicContact CB-CE2 4.35Å; I112-F161 HydrophobicContact CB-CZ 4.14Å; I112-F161 HydrophobicContact CD1-CD2 4.49Å; I112-F161 HydrophobicContact CG1-CD1 3.93Å; I112-F161 HydrophobicContact CG1-CD2 3.93Å; I112-F161 HydrophobicContact CG1-CE1 3.97Å; I112-F161 HydrophobicContact CG1-CE2 3.98Å; I112-F161 HydrophobicContact CG1-CG 3.9Å; I112-F161 HydrophobicContact CG1-CZ 3.99Å; I112-F161 HydrophobicContact CG2-CE2 3.96Å; I112-F161 HydrophobicContact CG2-CZ 4.03Å
113S98.9Very high98.9Very high19 Ų1932.2 Ų32.213%0.13316%0.158CC..Hα-helixtrans-61.3-48179.7-175.90000112.2V109 S110 T115 Y116 L117V109-S113 WeakPolarHBondContact O-CB 3.47Å; V109-S113 PolarHBondContact O-N 3.47Å; S110-S113 PolarHBondContact O-N 3.04Å; S113-T115 VanDerWaalsContact C-N 3.34Å; S113-T115 PolarHBondContact O-N 3.33Å; S113-Y116 PolarHBondContact O-N 3.34Å; S113-L117 WeakPolarHBondContact O-CG 3.4Å; S113-L117 PolarHBondContact O-N 3.05Å
114G98.9Very high98.9Very high0 Ų037.5 Ų37.50%018%0.181CC..Hα-helixtrans-62.2-40.6176.200000111.9F75 L88 S110 L117 G118F75-G114 WeakPolarHBondContact CZ-O 3.4Å; L88-G114 WeakPolarHBondContact CD2-O 3.45Å; S110-G114 PolarHBondContact O-N 2.73Å; G114-L117 PolarHBondContact O-N 3.15Å; G114-G118 PolarHBondContact O-N 3.36Å
115T98.9Very high98.8Very high0 Ų041 Ų410%020%0.196CC..Hα-helixtrans-61-45.5175.1-64.80000112N90 V111 I112 S113 G118 L119 I133 N135 F161 L178N90-T115 PolarHBondContact ND2-OG1 3.01Å; V111-T115 WeakPolarHBondContact O-CB 3.4Å; V111-T115 PolarHBondContact O-N 2.99Å; V111-T115 PolarHBondContact O-OG1 2.82Å; I112-T115 PolarHBondContact O-N 2.94Å; S113-T115 VanDerWaalsContact C-N 3.34Å; S113-T115 PolarHBondContact O-N 3.33Å; T115-G118 PolarHBondContact O-N 3.36Å; T115-L119 HydrophobicContact CG2-CD1 4.48Å; T115-L119 WeakPolarHBondContact O-CG 3.39Å; T115-L119 PolarHBondContact O-N 3.33Å; T115-I133 HydrophobicContact CG2-CD1 3.89Å; T115-I133 HydrophobicContact CG2-CG2 4.29Å; T115-I133 WeakPolarHBondContact O-CD1 3.42Å; T115-N135 PolarHBondContact OG1-OD1 3.23Å; T115-F161 HydrophobicContact CG2-CE1 3.73Å; T115-F161 HydrophobicContact CG2-CZ 3.62Å; T115-L178 HydrophobicContact CG2-CD2 3.47Å; T115-L178 VanDerWaalsContact CG2-CD2 3.47Å
116Y98.9Very high98.7Very high127 Ų12741.3 Ų41.350%0.49820%0.201SC..Hα-helixtrans-64.8-41.4176.9-67.9-28000112.3I112 S113 G118 L119 D120 F161I112-Y116 HydrophobicContact CG2-CD2 3.89Å; I112-Y116 HydrophobicContact CG2-CE2 3.45Å; I112-Y116 VanDerWaalsContact CG2-CE2 3.45Å; I112-Y116 PolarHBondContact O-N 3.16Å; S113-Y116 PolarHBondContact O-N 3.34Å; Y116-G118 VanDerWaalsContact C-N 3.3Å; Y116-G118 PolarHBondContact O-N 3.47Å; Y116-L119 HydrophobicContact CD1-CD1 4.26Å; Y116-L119 WeakPolarHBondContact O-CB 3.45Å; Y116-L119 PolarHBondContact O-N 2.97Å; Y116-L119 VanDerWaalsContact O-N 3.11Å; Y116-D120 PolarHBondContact O-N 3.1Å; Y116-F161 HydrophobicContact CE1-CE2 4.07Å; Y116-F161 HydrophobicContact CE1-CZ 4.21Å
117L98.9Very high98.7Very high17 Ų1744 Ų449%0.08923%0.232CC..Hα-helixtrans-61.4-39.5171.7-68.2169.3000111.8L71 R72 F75 S113 G114 L119 D120 Y121L71-L117 HydrophobicContact CB-CD1 4.3Å; L71-L117 HydrophobicContact CD2-CD1 3.99Å; L71-L117 HydrophobicContact CG-CD1 3.74Å; R72-L117 HydrophobicContact CG-CD1 4.14Å; R72-L117 HydrophobicContact CG-CD2 3.7Å; F75-L117 HydrophobicContact CD1-CB 3.8Å; F75-L117 HydrophobicContact CD2-CB 4.05Å; F75-L117 HydrophobicContact CD2-CD1 3.88Å; F75-L117 HydrophobicContact CE1-CB 3.75Å; F75-L117 HydrophobicContact CE2-CB 4Å; F75-L117 HydrophobicContact CE2-CD1 4.02Å; F75-L117 HydrophobicContact CG-CB 3.94Å; F75-L117 HydrophobicContact CG-CD1 4.39Å; F75-L117 HydrophobicContact CZ-CB 3.84Å; S113-L117 WeakPolarHBondContact O-CG 3.4Å; S113-L117 PolarHBondContact O-N 3.05Å; G114-L117 PolarHBondContact O-N 3.15Å; L117-L119 VanDerWaalsContact C-N 3.31Å; L117-L119 PolarHBondContact O-N 3.4Å; L117-D120 WeakPolarHBondContact O-CB 3.28Å; L117-D120 PolarHBondContact O-N 3.49Å; L117-Y121 VanDerWaalsContact O-CD2 3.3Å; L117-Y121 WeakPolarHBondContact O-CD2 3.43Å; L117-Y121 PolarHBondContact O-N 3.17Å
118G98.9Very high98.7Very high0 Ų044.9 Ų44.90%024%0.241CC..Hα-helixtrans-57.8-44.1172.700000112.2G114 T115 Y116 Y121 M122G114-G118 PolarHBondContact O-N 3.36Å; T115-G118 PolarHBondContact O-N 3.36Å; Y116-G118 VanDerWaalsContact C-N 3.3Å; Y116-G118 PolarHBondContact O-N 3.47Å; G118-Y121 PolarHBondContact O-N 2.99Å; G118-M122 WeakPolarHBondContact O-CB 3.44Å; G118-M122 WeakPolarHBondContact O-CE 3.45Å; G118-M122 VanDerWaalsContact O-CG 3.25Å; G118-M122 WeakPolarHBondContact O-CG 3.22Å; G118-M122 PolarHBondContact O-N 3.42Å
119L98.9Very high98.6Very high31 Ų3149.6 Ų49.616%0.16226%0.262CS..Hα-helixtrans-66.6-36.6175.5-69.2171.9000112.4T115 Y116 L117 Y121 S123 N126 I133 V176T115-L119 HydrophobicContact CG2-CD1 4.48Å; T115-L119 WeakPolarHBondContact O-CG 3.39Å; T115-L119 PolarHBondContact O-N 3.33Å; Y116-L119 HydrophobicContact CD1-CD1 4.26Å; Y116-L119 WeakPolarHBondContact O-CB 3.45Å; Y116-L119 PolarHBondContact O-N 2.97Å; Y116-L119 VanDerWaalsContact O-N 3.11Å; L117-L119 VanDerWaalsContact C-N 3.31Å; L117-L119 PolarHBondContact O-N 3.4Å; L119-Y121 VanDerWaalsContact C-N 3.3Å; L119-Y121 PolarHBondContact O-N 3.33Å; L119-S123 WeakPolarHBondContact O-CB 3.49Å; L119-S123 PolarHBondContact O-N 3.31Å; L119-N126 PolarHBondContact O-ND2 2.96Å; L119-I133 HydrophobicContact CD2-CD1 4.23Å; L119-I133 HydrophobicContact CG-CD1 4.04Å; L119-V176 HydrophobicContact CD2-CB 3.8Å; L119-V176 HydrophobicContact CD2-CG1 3.86Å; L119-V176 HydrophobicContact CD2-CG2 4.03Å
120D98.8Very high98.6Very high91 Ų9147.5 Ų47.549%0.48725%0.251SS..Hα-helixtrans-56.6-44.3176.5-69.8-22.1000111.5Y116 L117 N126Y116-D120 PolarHBondContact O-N 3.1Å; L117-D120 WeakPolarHBondContact O-CB 3.28Å; L117-D120 PolarHBondContact O-N 3.49Å; D120-N126 WeakPolarHBondContact CA-ND2 3.35Å; D120-N126 WeakPolarHBondContact O-CB 3.29Å; D120-N126 PolarHBondContact O-ND2 3.2Å
121Y98.8Very high98.6Very high87 Ų8747.3 Ų47.334%0.34125%0.25SC..Hα-helixtrans-87.9-33.2-179-72.8-82.1000114.6F75 V79 L117 G118 L119F75-Y121 HydrophobicContact CB-CD2 4.19Å; F75-Y121 HydrophobicContact CB-CE2 3.69Å; F75-Y121 HydrophobicContact CD1-CD2 4.02Å; F75-Y121 HydrophobicContact CD1-CE2 4.34Å; F75-Y121 HydrophobicContact CG-CE2 4.45Å; V79-Y121 HydrophobicContact CB-CD1 4.3Å; V79-Y121 HydrophobicContact CB-CE1 4.19Å; V79-Y121 HydrophobicContact CG1-CD1 4.29Å; V79-Y121 HydrophobicContact CG1-CE1 4.33Å; V79-Y121 HydrophobicContact CG2-CD1 3.65Å; V79-Y121 HydrophobicContact CG2-CE1 3.92Å; V79-Y121 HydrophobicContact CG2-CG 4.12Å; L117-Y121 VanDerWaalsContact O-CD2 3.3Å; L117-Y121 WeakPolarHBondContact O-CD2 3.43Å; L117-Y121 PolarHBondContact O-N 3.17Å; G118-Y121 PolarHBondContact O-N 2.99Å; L119-Y121 VanDerWaalsContact C-N 3.3Å; L119-Y121 PolarHBondContact O-N 3.33Å
122M98.8Very high98.6Very high1 Ų147.2 Ų47.21%0.00525%0.249CC..Hα-helixtrans-96.3-24.4-171.4-61.3-170.6-72.500113.7L85 D86 L88 G118 K124 G130 I133 V176L85-M122 HydrophobicContact CB-CG 4.27Å; L85-M122 HydrophobicContact CD2-CG 4.17Å; L85-M122 HydrophobicContact CD2-SD 4.28Å; L85-M122 HydrophobicContact CG-CG 4.06Å; L85-M122 HydrophobicContact CG-SD 3.96Å; L85-M122 WeakPolarHBondContact O-CG 3.36Å; D86-M122 VanDerWaalsContact C-SD 3.59Å; L88-M122 HydrophobicContact CB-CE 4.03Å; G118-M122 WeakPolarHBondContact O-CB 3.44Å; G118-M122 WeakPolarHBondContact O-CE 3.45Å; G118-M122 VanDerWaalsContact O-CG 3.25Å; G118-M122 WeakPolarHBondContact O-CG 3.22Å; G118-M122 PolarHBondContact O-N 3.42Å; M122-K124 PolarHBondContact O-N 3.49Å; M122-G130 CarbonylContact O-C 3.58Å; M122-G130 WeakPolarHBondContact O-CA 3.16Å; M122-G130 PolarHBondContact O-N 3.48Å; M122-I133 HydrophobicContact CE-CD1 3.78Å; M122-I133 HydrophobicContact CE-CG1 3.33Å; M122-V176 HydrophobicContact CB-CG2 3.75Å; M122-V176 HydrophobicContact CE-CG1 4.26Å
123S98.8Very high98.6Very high8 Ų845 Ų456%0.05624%0.238CC..  trans-63.8134.6-175.6-179.70000112L119 Q125 N126 G127 G128 S174L119-S123 WeakPolarHBondContact O-CB 3.49Å; L119-S123 PolarHBondContact O-N 3.31Å; S123-Q125 PolarHBondContact O-N 3.31Å; S123-Q125 PolarHBondContact OG-N 3.26Å; S123-N126 PolarHBondContact O-N 2.83Å; S123-G127 PolarHBondContact O-N 3.46Å; S123-G128 WeakPolarHBondContact O-CA 3.23Å; S123-G128 PolarHBondContact O-N 3Å; S123-S174 WeakPolarHBondContact OG-CB 3.32Å
124K98.4Very high98.6Very high111 Ų11144 Ų4448%0.48323%0.231SC..G310 helixtrans-58-28.9171.5-69.2178.8-179.9178.60113M122 N126 G127 G128 E129 S174M122-K124 PolarHBondContact O-N 3.49Å; K124-N126 PolarHBondContact O-N 2.93Å; K124-G127 PolarHBondContact O-N 2.85Å; K124-G128 WeakPolarHBondContact CA-O 3.35Å; K124-E129 VanDerWaalsContact CE-O 3.25Å; K124-E129 WeakPolarHBondContact CE-O 3.3Å; K124-S174 WeakPolarHBondContact CG-O 3.3Å; K124-S174 PolarHBondContact N-O 3.04Å
125Q97.4Very high98.6Very high121 Ų12144 Ų4457%0.56523%0.231SC*.G310 helixtrans-69.3-20.8176.6-54.8-53.2-39.900112.6S123 M172 N173S123-Q125 PolarHBondContact O-N 3.31Å; S123-Q125 PolarHBondContact OG-N 3.26Å; Q125-M172 WeakPolarHBondContact CG-O 3.41Å; Q125-M172 PolarHBondContact NE2-O 2.92Å; Q125-M172 VanDerWaalsContact NE2-O 3.08Å; Q125-N173 PolarHBondContact NE2-O 2.85Å
126N97.9Very high98.6Very high96 Ų9644.4 Ų44.451%0.51323%0.233SC..G310 helixtrans-105.512.9179.1-62.8-22.6000112.3L119 D120 S123 K124L119-N126 PolarHBondContact O-ND2 2.96Å; D120-N126 WeakPolarHBondContact CA-ND2 3.35Å; D120-N126 WeakPolarHBondContact O-CB 3.29Å; D120-N126 PolarHBondContact O-ND2 3.2Å; S123-N126 PolarHBondContact O-N 2.83Å; K124-N126 PolarHBondContact O-N 2.93Å
127G97.8Very high98.6Very high71 Ų7138.6 Ų38.673%0.73221%0.211SC*.THydrogen-bonded Turntrans84.84.8-178.400000115.1S123 K124S123-G127 PolarHBondContact O-N 3.46Å; K124-G127 PolarHBondContact O-N 2.85Å
128G98.1Very high98.6Very high20 Ų2038.6 Ų38.621%0.20621%0.213CC..  trans-74.9179.2169.200000112.9S123 K124S123-G128 WeakPolarHBondContact O-CA 3.23Å; S123-G128 PolarHBondContact O-N 3Å; K124-G128 WeakPolarHBondContact CA-O 3.35Å
129E97.8Very high98.5Very high135 Ų13540.6 Ų40.663%0.63122%0.223SC*.  trans-103.61.7-178-67.6176.4-16700113.4R84 K124R84-E129 IonicContact CZ-OE2 3.55Å; R84-E129 IonicContact NH1-OE1 2.95Å; R84-E129 IonicContact NH1-OE2 3.35Å; R84-E129 PolarHBondContact NH1-OE2 2.7Å; R84-E129 VanDerWaalsContact NH1-OE2 3.15Å; R84-E129 IonicContact NH2-OE2 3.24Å; R84-E129 PolarHBondContact NH2-OE2 3.01Å; K124-E129 VanDerWaalsContact CE-O 3.25Å; K124-E129 WeakPolarHBondContact CE-O 3.3Å
130G98.4Very high98.5Very high7 Ų739.3 Ų39.37%0.07222%0.217CC..  trans90.8-176.5-161.700000111.8M122 G175M122-G130 CarbonylContact O-C 3.58Å; M122-G130 WeakPolarHBondContact O-CA 3.16Å; M122-G130 PolarHBondContact O-N 3.48Å; G130-G175 WeakPolarHBondContact CA-O 3.49Å
131G98.8Very high98.5Very high2 Ų235.1 Ų35.12%0.02120%0.195CC..EExtended strand (participates in β ladder)trans169.7-164.4-175.500000112.9D86 G175 V176 R177D86-G131 CarbonylContact O-C 3.46Å; D86-G131 WeakPolarHBondContact O-CA 3.5Å; G131-G175 PolarHBondContact N-O 3.29Å; G131-G175 VanDerWaalsContact N-O 3.09Å; G131-V176 WeakPolarHBondContact O-CA 3.29Å; G131-R177 PolarHBondContact O-N 2.89Å
132I98.9Very high98.5Very high0 Ų033.4 Ų33.40%019%0.192CC..EExtended strand (participates in β ladder)trans-137.8134.8173.8-174.2179.3000111.2D86 I87 L88 I134 R177 L232 I233D86-I132 PolarHBondContact O-N 2.87Å; I87-I132 CarbonylContact C-O 3.51Å; I87-I132 WeakPolarHBondContact CA-O 3.3Å; I87-I132 HydrophobicContact CB-CG2 4.24Å; I87-I132 HydrophobicContact CG1-CG2 3.75Å; I87-I132 HydrophobicContact CG2-CG2 4.21Å; L88-I132 PolarHBondContact N-O 2.87Å; I132-I134 HydrophobicContact CB-CD1 4.34Å; I132-I134 HydrophobicContact CD1-CD1 3.76Å; I132-I134 HydrophobicContact CD1-CG1 3.98Å; I132-I134 HydrophobicContact CG1-CD1 3.68Å; I132-I134 HydrophobicContact CG1-CG1 4.09Å; I132-I134 HydrophobicContact CG2-CD1 3.95Å; I132-R177 CarbonylContact C-O 3.58Å; I132-R177 WeakPolarHBondContact CA-O 3.49Å; I132-R177 HydrophobicContact CG1-CB 4.22Å; I132-L232 HydrophobicContact CD1-CB 4.22Å; I132-L232 WeakPolarHBondContact CD1-O 3.23Å; I132-I233 HydrophobicContact CD1-CG1 4.21Å; I132-I233 HydrophobicContact CG2-CG1 4.08Å; I132-I233 HydrophobicContact CG2-CG2 4.45Å
133I98.9Very high98.4Very high0 Ų037.3 Ų37.30%021%0.211CC..EExtended strand (participates in β ladder)trans-111.4125.5171.7-57.6174.5000108.2L88 T115 L119 M122 V176 R177 L178 N179L88-I133 HydrophobicContact CB-CG1 4.15Å; L88-I133 HydrophobicContact CB-CG2 4.46Å; L88-I133 HydrophobicContact CD2-CD1 4.39Å; L88-I133 HydrophobicContact CD2-CG1 4.21Å; L88-I133 HydrophobicContact CD2-CG2 4.01Å; L88-I133 HydrophobicContact CG-CG2 4.28Å; L88-I133 CarbonylContact O-C 3.38Å; L88-I133 WeakPolarHBondContact O-CA 3.34Å; T115-I133 HydrophobicContact CG2-CD1 3.89Å; T115-I133 HydrophobicContact CG2-CG2 4.29Å; T115-I133 WeakPolarHBondContact O-CD1 3.42Å; L119-I133 HydrophobicContact CD2-CD1 4.23Å; L119-I133 HydrophobicContact CG-CD1 4.04Å; M122-I133 HydrophobicContact CE-CD1 3.78Å; M122-I133 HydrophobicContact CE-CG1 3.33Å; I133-V176 HydrophobicContact CD1-CG1 3.9Å; I133-V176 HydrophobicContact CG1-CG1 3.87Å; I133-R177 PolarHBondContact N-O 3.42Å; I133-L178 HydrophobicContact CB-CD2 4.21Å; I133-L178 HydrophobicContact CB-CG 4.12Å; I133-L178 HydrophobicContact CD1-CD2 4Å; I133-L178 HydrophobicContact CD1-CG 4.37Å; I133-L178 WeakPolarHBondContact O-CA 3.17Å; I133-N179 PolarHBondContact O-N 3.27Å
134I98.9Very high98.3Very high0 Ų042 Ų420%024%0.241CC..EExtended strand (participates in β ladder)trans-116.6121.7176.3-5591.3000108.6I87 L88 V89 N90 I132 N179 I181 L229 L232 I233I87-I134 HydrophobicContact CG2-CD1 4.02Å; L88-I134 PolarHBondContact O-N 2.96Å; V89-I134 CarbonylContact C-O 3.6Å; V89-I134 WeakPolarHBondContact CA-O 3.35Å; V89-I134 HydrophobicContact CG2-CD1 4.34Å; N90-I134 PolarHBondContact N-O 3.22Å; I132-I134 HydrophobicContact CB-CD1 4.34Å; I132-I134 HydrophobicContact CD1-CD1 3.76Å; I132-I134 HydrophobicContact CD1-CG1 3.98Å; I132-I134 HydrophobicContact CG1-CD1 3.68Å; I132-I134 HydrophobicContact CG1-CG1 4.09Å; I132-I134 HydrophobicContact CG2-CD1 3.95Å; I134-N179 WeakPolarHBondContact CA-O 3.49Å; I134-I181 HydrophobicContact CG2-CD1 3.84Å; I134-I181 HydrophobicContact CG2-CG1 3.86Å; I134-L229 HydrophobicContact CB-CD1 4.01Å; I134-L229 HydrophobicContact CD1-CD1 3.67Å; I134-L229 HydrophobicContact CG1-CD1 3.71Å; I134-L229 HydrophobicContact CG2-CD1 4.08Å; I134-L232 HydrophobicContact CG1-CD1 4.32Å; I134-L232 HydrophobicContact CG2-CD1 3.92Å; I134-I233 HydrophobicContact CD1-CG1 4.19Å
135N98.9Very high98.3Very high0 Ų038.1 Ų38.10%023%0.227CC..EExtended strand (participates in β ladder)trans-106.1129.1-179.8-65-30.1000111N90 V111 T115 S137 I158 T162 N179 A180 I181N90-N135 WeakPolarHBondContact CB-OD1 3.32Å; N90-N135 PolarHBondContact ND2-OD1 2.86Å; V111-N135 HydrophobicContact CG1-CB 3.89Å; T115-N135 PolarHBondContact OG1-OD1 3.23Å; N135-S137 PolarHBondContact O-N 2.82Å; N135-I158 HydrophobicContact CB-CG2 3.68Å; N135-T162 PolarHBondContact ND2-OG1 3Å; N135-N179 PolarHBondContact N-O 3.08Å; N135-A180 WeakPolarHBondContact O-CA 3.47Å; N135-A180 WeakPolarHBondContact O-CB 3.47Å; N135-I181 PolarHBondContact O-N 2.98Å; N135-I181 VanDerWaalsContact O-N 3.11Å
136M98.9Very high98.3Very high8 Ų836.1 Ų36.14%0.03923%0.231CC..EExtended strand (participates in β ladder)trans-81.2103.2177-72.3-56.1-59.900111.8I17 F21 N90 N91 K155 I158 I181 P183 I225I17-M136 HydrophobicContact CD1-CE 4.3Å; I17-M136 HydrophobicContact CG2-CE 4.25Å; F21-M136 HydrophobicContact CE2-CG 4.03Å; F21-M136 HydrophobicContact CE2-SD 3.64Å; F21-M136 HydrophobicContact CZ-CE 4.35Å; F21-M136 HydrophobicContact CZ-SD 3.57Å; F21-M136 VanDerWaalsContact CZ-SD 3.57Å; N90-M136 PolarHBondContact O-N 2.92Å; N91-M136 HydrophobicContact CB-CB 4.49Å; N91-M136 HydrophobicContact CB-CG 3.64Å; M136-K155 PolarHBondContact O-NZ 2.94Å; M136-I158 VanDerWaalsContact O-CD1 3.25Å; M136-I158 WeakPolarHBondContact O-CD1 3.42Å; M136-I181 HydrophobicContact CE-CB 4.28Å; M136-I181 HydrophobicContact CE-CG2 4.41Å; M136-I181 HydrophobicContact SD-CB 3.84Å; M136-I181 HydrophobicContact SD-CD1 4.22Å; M136-I181 HydrophobicContact SD-CG1 4.43Å; M136-I181 HydrophobicContact SD-CG2 4.47Å; M136-P183 HydrophobicContact CE-CG 3.88Å; M136-I225 HydrophobicContact CE-CG2 4.17Å
137S98.8Very high98.3Very high4 Ų432.5 Ų32.53%0.02821%0.211CC..  trans-91.1-142.1166.2-169.40000110.5N135 K155 V159 I181N135-S137 PolarHBondContact O-N 2.82Å; S137-K155 PolarHBondContact OG-O 3.42Å; S137-V159 WeakPolarHBondContact OG-CG2 3.41Å; S137-I181 CarbonylContact C-O 3.4Å; S137-I181 WeakPolarHBondContact CA-O 3.18Å; S137-I181 PolarHBondContact N-O 3.36Å
138S98.8Very high98.3Very high18 Ų1830 Ų3013%0.12618%0.18CC..  trans-165.9164.6178.8177.20000108.1A140 G141 C182S138-A140 PolarHBondContact O-N 3.34Å; S138-A140 WeakPolarHBondContact OG-CB 3.47Å; S138-A140 PolarHBondContact OG-N 2.93Å; S138-G141 WeakPolarHBondContact O-CA 3.32Å; S138-G141 PolarHBondContact O-N 3.43Å; S138-C182 WeakPolarHBondContact O-CB 3.2Å
139L98.4Very high98.4Very high41 Ų4131.3 Ų31.322%0.21519%0.186CC..G310 helixtrans-54-29.6158.9-71.8-173.7000111.8G141 L142 M143 P183 K244 T246L139-G141 PolarHBondContact O-N 2.74Å; L139-L142 PolarHBondContact O-N 3.17Å; L139-M143 HydrophobicContact CB-CG 4.46Å; L139-M143 HydrophobicContact CB-SD 4.4Å; L139-M143 WeakPolarHBondContact O-CG 3.3Å; L139-M143 PolarHBondContact O-N 3.47Å; L139-P183 PolarHBondContact N-O 3.4Å; L139-K244 HydrophobicContact CD2-CB 4.39Å; L139-K244 HydrophobicContact CD2-CD 4.12Å; L139-K244 HydrophobicContact CD2-CG 4Å; L139-T246 HydrophobicContact CD1-CG2 3.93Å; L139-T246 HydrophobicContact CD2-CG2 4.48Å
140A98.2Very high98.4Very high5 Ų526.3 Ų26.34%0.04116%0.164CC..G310 helixtrans-61.5-8170.600000114.1S138 V145 Y151 C152 H156S138-A140 PolarHBondContact O-N 3.34Å; S138-A140 WeakPolarHBondContact OG-CB 3.47Å; S138-A140 PolarHBondContact OG-N 2.93Å; A140-V145 HydrophobicContact CB-CG2 3.67Å; A140-Y151 HydrophobicContact CB-CD1 4.02Å; A140-Y151 HydrophobicContact CB-CE1 3.92Å; A140-C152 WeakPolarHBondContact O-CA 3.25Å; A140-C152 PolarHBondContact O-SG 3.11Å; A140-H156 PolarHBondContact O-CE1 2.94Å; A140-H156 PolarHBondContact O-ND1 2.76Å
141G98.6Very high98.4Very high3 Ų327.1 Ų27.13%0.03117%0.165CC..G310 helixtrans-89.1-3.2169.800000114.6S138 L139 K155 H156S138-G141 WeakPolarHBondContact O-CA 3.32Å; S138-G141 PolarHBondContact O-N 3.43Å; L139-G141 PolarHBondContact O-N 2.74Å; G141-K155 VanDerWaalsContact CA-C 3.42Å; G141-H156 VanDerWaalsContact C-CE1 3.46Å; G141-H156 WeakPolarHBondContact CA-ND1 3.43Å; G141-H156 PolarHBondContact O-CD2 3.33Å; G141-H156 VanDerWaalsContact O-CD2 3.28Å; G141-H156 PolarHBondContact O-NE2 3.36Å
142L98.4Very high98.4Very high50 Ų5027.7 Ų27.726%0.26217%0.168SC..THydrogen-bonded Turntrans-130.2-12.2-175.6-59.2176.8000113.1L139 V159 C182 I242 K244 Q254L139-L142 PolarHBondContact O-N 3.17Å; L142-V159 HydrophobicContact CD2-CG1 4.01Å; L142-V159 HydrophobicContact CD2-CG2 4.12Å; L142-C182 HydrophobicContact CD1-CB 4.18Å; L142-I242 HydrophobicContact CD1-CG2 4.25Å; L142-I242 HydrophobicContact CD2-CG2 4.3Å; L142-K244 HydrophobicContact CD1-CD 3.84Å; L142-K244 HydrophobicContact CD1-CG 3.87Å; L142-Q254 HydrophobicContact CD1-CB 4.41Å; L142-Q254 HydrophobicContact CD1-CG 4.47Å; L142-Q254 HydrophobicContact CD2-CG 4.48Å
143M97.4Very high98.4Very high83 Ų8330.2 Ų30.241%0.40919%0.189SC..SBendtrans-146.4154.1178.556.8173.4-72.600110.1L139L139-M143 HydrophobicContact CB-CG 4.46Å; L139-M143 HydrophobicContact CB-SD 4.4Å; L139-M143 WeakPolarHBondContact O-CG 3.3Å; L139-M143 PolarHBondContact O-N 3.47Å
144P97.6Very high98.4Very high107 Ų10730.2 Ų30.270%0.69519%0.189SC*.  trans-68.9148.6178.328.7-35.3000111.9
145V97.1Very high98.4Very high29 Ų2930.5 Ų30.518%0.17619%0.191CC..  trans-128.3104.1167.7-1760000107.7A140 Q147 Q148A140-V145 HydrophobicContact CB-CG2 3.67Å; V145-Q147 PolarHBondContact O-N 3.2Å; V145-Q147 VanDerWaalsContact O-N 3.15Å; V145-Q148 HydrophobicContact CB-CB 4.37Å; V145-Q148 HydrophobicContact CG1-CB 3.93Å; V145-Q148 HydrophobicContact CG1-CG 4.09Å; V145-Q148 CarbonylContact O-C 3.53Å; V145-Q148 PolarHBondContact O-N 3.33Å
146A97.6Very high98.4Very high80 Ų8034.2 Ų34.266%0.66121%0.208SC*.THydrogen-bonded Turntrans-59.9-30.6-170.200000113.4
147Q98.1Very high98.4Very high20 Ų2035 Ų359%0.09322%0.219CC..THydrogen-bonded Turntrans-89.7-5.3-177.3-54.878.66.500113.3V145 M200 Y203 Y206 I210V145-Q147 PolarHBondContact O-N 3.2Å; V145-Q147 VanDerWaalsContact O-N 3.15Å; Q147-M200 HydrophobicContact CB-CE 4.01Å; Q147-M200 WeakPolarHBondContact O-CE 3.4Å; Q147-Y203 VanDerWaalsContact O-CB 3.25Å; Q147-Y203 WeakPolarHBondContact O-CB 3.28Å; Q147-Y206 WeakPolarHBondContact CG-O 3.47Å; Q147-I210 HydrophobicContact CB-CD1 3.58Å; Q147-I210 HydrophobicContact CB-CG1 4.16Å; Q147-I210 HydrophobicContact CG-CD1 4.04Å; Q147-I210 HydrophobicContact CG-CG1 4.12Å
148Q98.3Very high98.4Very high17 Ų1734.9 Ų34.98%0.07922%0.217CC..  trans-142.155.7-176.1-54.2178.1-89.800111.4N95 E97 V145 V150 Y151 C152 M200 I210N95-Q148 PolarHBondContact ND2-NE2 3.26Å; N95-Q148 PolarHBondContact OD1-NE2 3.46Å; E97-Q148 HydrophobicContact CG-CB 4.46Å; E97-Q148 VanDerWaalsContact OE1-CA 3.29Å; E97-Q148 WeakPolarHBondContact OE1-CA 3.33Å; V145-Q148 HydrophobicContact CB-CB 4.37Å; V145-Q148 HydrophobicContact CG1-CB 3.93Å; V145-Q148 HydrophobicContact CG1-CG 4.09Å; V145-Q148 CarbonylContact O-C 3.53Å; V145-Q148 PolarHBondContact O-N 3.33Å; Q148-V150 PolarHBondContact O-N 3.19Å; Q148-Y151 PolarHBondContact O-N 2.88Å; Q148-C152 WeakPolarHBondContact O-CB 3.49Å; Q148-C152 PolarHBondContact O-N 3.37Å; Q148-M200 HydrophobicContact CG-CE 4.14Å; Q148-I210 HydrophobicContact CG-CD1 4.14Å
149P98.6Very high98.4Very high49 Ų4934.4 Ų34.432%0.31821%0.214SC..Hα-helixtrans-65.2-35.5-172.124.8-33.1000113.4E97 C152 A153 Y203E97-P149 WeakPolarHBondContact OE2-CD 3.46Å; P149-C152 WeakPolarHBondContact O-CB 3.25Å; P149-C152 PolarHBondContact O-N 2.85Å; P149-A153 WeakPolarHBondContact O-CB 3.21Å; P149-A153 PolarHBondContact O-N 3.43Å; P149-Y203 HydrophobicContact CG-CE1 3.99Å; P149-Y203 HydrophobicContact CG-CE2 3.88Å; P149-Y203 VanDerWaalsContact CG-CZ 3.41Å; P149-Y203 WeakPolarHBondContact CG-OH 3.34Å
150V98.8Very high98.4Very high29 Ų2934.2 Ų34.218%0.17622%0.221CC..Hα-helixtrans-77.3-39179.4-178.40000111.4E97 W100 L104 Q148 C152 A153 S154E97-V150 PolarHBondContact OE1-N 3.3Å; E97-V150 WeakPolarHBondContact OE2-CB 3.38Å; E97-V150 PolarHBondContact OE2-N 3.11Å; W100-V150 HydrophobicContact CB-CB 3.94Å; W100-V150 HydrophobicContact CB-CG1 3.88Å; W100-V150 HydrophobicContact CB-CG2 3.83Å; W100-V150 HydrophobicContact CD2-CG2 4.42Å; W100-V150 HydrophobicContact CE3-CG1 4.19Å; W100-V150 HydrophobicContact CE3-CG2 4.46Å; W100-V150 HydrophobicContact CG-CG2 4.17Å; L104-V150 HydrophobicContact CD1-CG1 4.09Å; L104-V150 HydrophobicContact CD2-CG1 3.82Å; L104-V150 HydrophobicContact CG-CG1 3.64Å; Q148-V150 PolarHBondContact O-N 3.19Å; V150-C152 VanDerWaalsContact C-N 3.32Å; V150-C152 PolarHBondContact O-N 2.91Å; V150-A153 PolarHBondContact O-N 3.03Å; V150-S154 PolarHBondContact O-N 2.89Å
151Y98.8Very high98.5Very high25 Ų2535.3 Ų35.310%0.09823%0.225CC..Hα-helixtrans-56.5-48.9168.4-177.7-89.9000110.4V94 N95 E97 N107 A140 Q148 A153 S154 K155V94-Y151 VanDerWaalsContact O-CD2 3.3Å; V94-Y151 WeakPolarHBondContact O-CD2 3.44Å; V94-Y151 WeakPolarHBondContact O-CE2 3.44Å; N95-Y151 HydrophobicContact CB-CD2 4.42Å; E97-Y151 WeakPolarHBondContact OE1-CB 3.39Å; E97-Y151 PolarHBondContact OE1-N 3.47Å; N107-Y151 WeakPolarHBondContact ND2-CD2 3.21Å; A140-Y151 HydrophobicContact CB-CD1 4.02Å; A140-Y151 HydrophobicContact CB-CE1 3.92Å; Q148-Y151 PolarHBondContact O-N 2.88Å; Y151-A153 PolarHBondContact O-N 2.81Å; Y151-S154 WeakPolarHBondContact O-CB 3.25Å; Y151-S154 PolarHBondContact O-N 3.31Å; Y151-S154 VanDerWaalsContact O-N 3.13Å; Y151-S154 PolarHBondContact O-OG 2.88Å; Y151-K155 HydrophobicContact CD1-CG 4.04Å; Y151-K155 HydrophobicContact CE1-CG 3.66Å; Y151-K155 VanDerWaalsContact CZ-CE 3.48Å; Y151-K155 WeakPolarHBondContact O-CG 3.43Å; Y151-K155 PolarHBondContact O-N 3.27Å; Y151-K155 WeakPolarHBondContact OH-CE 3.48Å
152C98.8Very high98.5Very high13 Ų1335.1 Ų35.19%0.08822%0.224CC..Hα-helixtrans-54.9-47.9175.6178.60000111.7A140 Q148 P149 V150 S154 K155 H156A140-C152 WeakPolarHBondContact O-CA 3.25Å; A140-C152 PolarHBondContact O-SG 3.11Å; Q148-C152 WeakPolarHBondContact O-CB 3.49Å; Q148-C152 PolarHBondContact O-N 3.37Å; P149-C152 WeakPolarHBondContact O-CB 3.25Å; P149-C152 PolarHBondContact O-N 2.85Å; V150-C152 VanDerWaalsContact C-N 3.32Å; V150-C152 PolarHBondContact O-N 2.91Å; C152-S154 PolarHBondContact O-N 3.07Å; C152-K155 PolarHBondContact O-N 2.99Å; C152-H156 PolarHBondContact O-N 3.22Å; C152-H156 PolarHBondContact O-ND1 3.06Å; C152-H156 PolarHBondContact SG-CE1 3.12Å; C152-H156 PolarHBondContact SG-ND1 3.23Å
153A98.9Very high98.5Very high53 Ų5336.6 Ų36.644%0.43823%0.226SC..Hα-helixtrans-60.4-43.2176.100000112.2P149 V150 Y151 K155 H156 G157P149-A153 WeakPolarHBondContact O-CB 3.21Å; P149-A153 PolarHBondContact O-N 3.43Å; V150-A153 PolarHBondContact O-N 3.03Å; Y151-A153 PolarHBondContact O-N 2.81Å; A153-K155 VanDerWaalsContact C-N 3.3Å; A153-K155 PolarHBondContact O-N 3.22Å; A153-H156 PolarHBondContact O-N 2.86Å; A153-G157 PolarHBondContact O-N 3.27Å
154S98.9Very high98.6Very high0 Ų036.3 Ų36.30%023%0.232CC..Hα-helixtrans-59.2-42.5176.980.80000111.6N107 V150 Y151 C152 G157 I158N107-S154 WeakPolarHBondContact CB-OG 3.44Å; N107-S154 PolarHBondContact ND2-OG 2.87Å; V150-S154 PolarHBondContact O-N 2.89Å; Y151-S154 WeakPolarHBondContact O-CB 3.25Å; Y151-S154 PolarHBondContact O-N 3.31Å; Y151-S154 VanDerWaalsContact O-N 3.13Å; Y151-S154 PolarHBondContact O-OG 2.88Å; C152-S154 PolarHBondContact O-N 3.07Å; S154-G157 PolarHBondContact O-N 3.49Å; S154-I158 WeakPolarHBondContact O-CG1 3.31Å; S154-I158 PolarHBondContact O-N 3.37Å; S154-I158 VanDerWaalsContact O-N 3.14Å
155K98.8Very high98.6Very high7 Ų731.8 Ų31.83%0.0320%0.203CC..Hα-helixtrans-75.2-34.1-178-61.7-45.8-168.7175.10112.4M136 S137 G141 Y151 C152 A153 G157 I158 V159M136-K155 PolarHBondContact O-NZ 2.94Å; S137-K155 PolarHBondContact OG-O 3.42Å; G141-K155 VanDerWaalsContact CA-C 3.42Å; Y151-K155 HydrophobicContact CD1-CG 4.04Å; Y151-K155 HydrophobicContact CE1-CG 3.66Å; Y151-K155 VanDerWaalsContact CZ-CE 3.48Å; Y151-K155 WeakPolarHBondContact O-CG 3.43Å; Y151-K155 PolarHBondContact O-N 3.27Å; Y151-K155 WeakPolarHBondContact OH-CE 3.48Å; C152-K155 PolarHBondContact O-N 2.99Å; A153-K155 VanDerWaalsContact C-N 3.3Å; A153-K155 PolarHBondContact O-N 3.22Å; K155-G157 VanDerWaalsContact C-N 3.33Å; K155-I158 HydrophobicContact CD-CD1 3.68Å; K155-I158 PolarHBondContact O-N 3.22Å; K155-V159 PolarHBondContact O-N 3.23Å
156H98.9Very high98.7Very high77 Ų7730.5 Ų30.536%0.35620%0.196SC..Hα-helixtrans-62.8-42.3169.3-81.677.1000111A140 G141 C152 A153 I158 V159 G160A140-H156 PolarHBondContact O-CE1 2.94Å; A140-H156 PolarHBondContact O-ND1 2.76Å; G141-H156 VanDerWaalsContact C-CE1 3.46Å; G141-H156 WeakPolarHBondContact CA-ND1 3.43Å; G141-H156 PolarHBondContact O-CD2 3.33Å; G141-H156 VanDerWaalsContact O-CD2 3.28Å; G141-H156 PolarHBondContact O-NE2 3.36Å; C152-H156 PolarHBondContact O-N 3.22Å; C152-H156 PolarHBondContact O-ND1 3.06Å; C152-H156 PolarHBondContact SG-CE1 3.12Å; C152-H156 PolarHBondContact SG-ND1 3.23Å; A153-H156 PolarHBondContact O-N 2.86Å; H156-I158 VanDerWaalsContact C-N 3.31Å; H156-I158 PolarHBondContact O-N 3.01Å; H156-V159 PolarHBondContact O-N 2.95Å; H156-V159 VanDerWaalsContact O-N 3.16Å; H156-G160 PolarHBondContact O-N 3.19Å
157G98.9Very high98.7Very high26 Ų2632.3 Ų32.327%0.26819%0.194SC..Hα-helixtrans-56-44.4175.100000112.4A153 S154 K155 V159 G160 F161A153-G157 PolarHBondContact O-N 3.27Å; S154-G157 PolarHBondContact O-N 3.49Å; K155-G157 VanDerWaalsContact C-N 3.33Å; G157-V159 PolarHBondContact O-N 2.98Å; G157-G160 PolarHBondContact O-N 3.33Å; G157-F161 WeakPolarHBondContact O-CB 3.22Å; G157-F161 PolarHBondContact O-N 3Å
158I98.9Very high98.7Very high0 Ų032.9 Ų32.90%020%0.202CC..Hα-helixtrans-62-41.7176.9-63.2166.8000111.8N107 L108 V111 N135 M136 S154 K155 H156 T162N107-I158 WeakPolarHBondContact O-CD1 3.08Å; L108-I158 HydrophobicContact CD1-CG1 4.15Å; V111-I158 HydrophobicContact CG1-CG1 4.32Å; V111-I158 HydrophobicContact CG1-CG2 4.4Å; V111-I158 HydrophobicContact CG2-CD1 4.23Å; V111-I158 HydrophobicContact CG2-CG1 4.45Å; N135-I158 HydrophobicContact CB-CG2 3.68Å; M136-I158 VanDerWaalsContact O-CD1 3.25Å; M136-I158 WeakPolarHBondContact O-CD1 3.42Å; S154-I158 WeakPolarHBondContact O-CG1 3.31Å; S154-I158 PolarHBondContact O-N 3.37Å; S154-I158 VanDerWaalsContact O-N 3.14Å; K155-I158 HydrophobicContact CD-CD1 3.68Å; K155-I158 PolarHBondContact O-N 3.22Å; H156-I158 VanDerWaalsContact C-N 3.31Å; H156-I158 PolarHBondContact O-N 3.01Å; I158-T162 VanDerWaalsContact O-CB 3.25Å; I158-T162 WeakPolarHBondContact O-CB 3.4Å; I158-T162 PolarHBondContact O-N 2.84Å; I158-T162 PolarHBondContact O-OG1 2.96Å
159V98.9Very high98.6Very high9 Ų932.3 Ų32.36%0.05520%0.2CC..Hα-helixtrans-62.7-50.6178.9171.30000110.5S137 L142 K155 H156 G157 T162 R163 I242 Y256S137-V159 WeakPolarHBondContact OG-CG2 3.41Å; L142-V159 HydrophobicContact CD2-CG1 4.01Å; L142-V159 HydrophobicContact CD2-CG2 4.12Å; K155-V159 PolarHBondContact O-N 3.23Å; H156-V159 PolarHBondContact O-N 2.95Å; H156-V159 VanDerWaalsContact O-N 3.16Å; G157-V159 PolarHBondContact O-N 2.98Å; V159-T162 PolarHBondContact O-N 3.42Å; V159-R163 WeakPolarHBondContact O-CG 3.37Å; V159-R163 PolarHBondContact O-N 3.42Å; V159-I242 HydrophobicContact CG1-CD1 4.27Å; V159-I242 HydrophobicContact CG1-CG1 4.35Å; V159-Y256 VanDerWaalsContact CG1-OH 3.3Å; V159-Y256 WeakPolarHBondContact CG1-OH 3.42Å
160G98.8Very high98.5Very high36 Ų3635 Ų3537%0.37121%0.212SC..Hα-helixtrans-61.2-45.8178.400000112.4H156 G157 S164H156-G160 PolarHBondContact O-N 3.19Å; G157-G160 PolarHBondContact O-N 3.33Å; G160-S164 WeakPolarHBondContact O-CB 3.3Å; G160-S164 PolarHBondContact O-N 2.85Å; G160-S164 VanDerWaalsContact O-N 3.1Å; G160-S164 PolarHBondContact O-OG 3.26Å
161F98.9Very high98.4Very high28 Ų2841 Ų4112%0.12324%0.242CC..Hα-helixtrans-60.3-50.6177.7171.4-111.8000112.1I112 T115 Y116 G157 R163 S164 A165I112-F161 HydrophobicContact CB-CE1 4.37Å; I112-F161 HydrophobicContact CB-CE2 4.35Å; I112-F161 HydrophobicContact CB-CZ 4.14Å; I112-F161 HydrophobicContact CD1-CD2 4.49Å; I112-F161 HydrophobicContact CG1-CD1 3.93Å; I112-F161 HydrophobicContact CG1-CD2 3.93Å; I112-F161 HydrophobicContact CG1-CE1 3.97Å; I112-F161 HydrophobicContact CG1-CE2 3.98Å; I112-F161 HydrophobicContact CG1-CG 3.9Å; I112-F161 HydrophobicContact CG1-CZ 3.99Å; I112-F161 HydrophobicContact CG2-CE2 3.96Å; I112-F161 HydrophobicContact CG2-CZ 4.03Å; T115-F161 HydrophobicContact CG2-CE1 3.73Å; T115-F161 HydrophobicContact CG2-CZ 3.62Å; Y116-F161 HydrophobicContact CE1-CE2 4.07Å; Y116-F161 HydrophobicContact CE1-CZ 4.21Å; G157-F161 WeakPolarHBondContact O-CB 3.22Å; G157-F161 PolarHBondContact O-N 3Å; F161-R163 PolarHBondContact O-N 3.35Å; F161-S164 PolarHBondContact O-N 2.96Å; F161-A165 HydrophobicContact CE2-CB 4.33Å; F161-A165 HydrophobicContact CZ-CB 4.39Å; F161-A165 WeakPolarHBondContact O-CB 3.2Å; F161-A165 PolarHBondContact O-N 3.49Å
162T98.9Very high98.3Very high0 Ų045.3 Ų45.30%026%0.264CS..Hα-helixtrans-63.1-43.4-175.4-560000111.6N135 I158 V159 S164 A165 A166 L178 N179 A180N135-T162 PolarHBondContact ND2-OG1 3Å; I158-T162 VanDerWaalsContact O-CB 3.25Å; I158-T162 WeakPolarHBondContact O-CB 3.4Å; I158-T162 PolarHBondContact O-N 2.84Å; I158-T162 PolarHBondContact O-OG1 2.96Å; V159-T162 PolarHBondContact O-N 3.42Å; T162-S164 VanDerWaalsContact C-N 3.35Å; T162-S164 PolarHBondContact O-N 3.32Å; T162-A165 PolarHBondContact O-N 3.28Å; T162-A166 WeakPolarHBondContact O-CB 3.26Å; T162-A166 PolarHBondContact O-N 2.74Å; T162-L178 HydrophobicContact CG2-CB 4.26Å; T162-N179 VanDerWaalsContact CG2-C 3.44Å; T162-A180 HydrophobicContact CG2-CB 4.13Å
163R98.7Very high98.2Very high81 Ų8150.1 Ų50.131%0.30629%0.289SS..Hα-helixtrans-62.8-42.1176.2-67.9178.369.7-1541.6111.9V159 F161 L167 I242 Y256V159-R163 WeakPolarHBondContact O-CG 3.37Å; V159-R163 PolarHBondContact O-N 3.42Å; F161-R163 PolarHBondContact O-N 3.35Å; R163-L167 PolarHBondContact O-N 3.05Å; R163-I242 HydrophobicContact CG-CD1 3.64Å; R163-I242 HydrophobicContact CG-CG1 3.86Å; R163-Y256 VanDerWaalsContact NH2-CG 3.29Å
164S98.7Very high98.2Very high76 Ų7647.7 Ų47.753%0.53127%0.269SS..Hα-helixtrans-66.7-45179.1-55.20000111.5G160 F161 T162 A166 L167 A168G160-S164 WeakPolarHBondContact O-CB 3.3Å; G160-S164 PolarHBondContact O-N 2.85Å; G160-S164 VanDerWaalsContact O-N 3.1Å; G160-S164 PolarHBondContact O-OG 3.26Å; F161-S164 PolarHBondContact O-N 2.96Å; T162-S164 VanDerWaalsContact C-N 3.35Å; T162-S164 PolarHBondContact O-N 3.32Å; S164-A166 PolarHBondContact O-N 3.05Å; S164-L167 PolarHBondContact O-N 3.44Å; S164-A168 PolarHBondContact O-N 2.96Å
165A98.6Very high98.2Very high12 Ų1249.2 Ų49.210%0.09929%0.285CS..Hα-helixtrans-67.5-34.3179.400000112.3F161 T162 A168 A169 L178F161-A165 HydrophobicContact CE2-CB 4.33Å; F161-A165 HydrophobicContact CZ-CB 4.39Å; F161-A165 WeakPolarHBondContact O-CB 3.2Å; F161-A165 PolarHBondContact O-N 3.49Å; T162-A165 PolarHBondContact O-N 3.28Å; A165-A168 PolarHBondContact O-N 3.06Å; A165-A169 WeakPolarHBondContact O-CB 3.47Å; A165-A169 PolarHBondContact O-N 3.43Å; A165-L178 HydrophobicContact CB-CD2 3.77Å
166A98.6Very high98.2Very high2 Ų249 Ų492%0.01729%0.285CS..Hα-helixtrans-61.5-43.6172.200000112.8T162 S164 A169 N170 L178 N239T162-A166 WeakPolarHBondContact O-CB 3.26Å; T162-A166 PolarHBondContact O-N 2.74Å; S164-A166 PolarHBondContact O-N 3.05Å; A166-A169 PolarHBondContact O-N 2.86Å; A166-N170 PolarHBondContact O-N 3Å; A166-L178 HydrophobicContact CB-CB 4.2Å; A166-N239 VanDerWaalsContact CB-OD1 3.31Å; A166-N239 WeakPolarHBondContact CB-OD1 3.38Å; A166-N239 PolarHBondContact O-ND2 2.95Å; A166-N239 VanDerWaalsContact O-ND2 3.1Å
167L98.1Very high98.2Very high118 Ų11846.5 Ų46.562%0.61827%0.272SS*.Hα-helixtrans-64.4-42.4173.9-69173.2000111.3R163 S164 A169 N170 L171R163-L167 PolarHBondContact O-N 3.05Å; S164-L167 PolarHBondContact O-N 3.44Å; L167-A169 VanDerWaalsContact C-N 3.32Å; L167-A169 PolarHBondContact O-N 2.88Å; L167-N170 WeakPolarHBondContact O-CB 3.46Å; L167-N170 PolarHBondContact O-N 3.22Å; L167-L171 PolarHBondContact O-N 3.39Å
168A97.9Very high98.2Very high33 Ų3345.2 Ų45.227%0.27326%0.259SS..Hα-helixtrans-61.4-40175.900000112.1S164 A165 N170 L171 M172S164-A168 PolarHBondContact O-N 2.96Å; A165-A168 PolarHBondContact O-N 3.06Å; A168-N170 VanDerWaalsContact C-N 3.28Å; A168-N170 PolarHBondContact O-N 3.16Å; A168-L171 PolarHBondContact O-N 3.36Å; A168-L171 VanDerWaalsContact O-N 3.15Å; A168-M172 HydrophobicContact CB-CE 4.49Å; A168-M172 VanDerWaalsContact O-CG 3.32Å; A168-M172 WeakPolarHBondContact O-CG 3.37Å; A168-M172 PolarHBondContact O-N 3.37Å
169A96.9Very high98.2Very high5 Ų545.2 Ų45.24%0.04126%0.259CS..Hα-helixtrans-60.3-36.1176.500000112.9A165 A166 L167 N173 S174 V176 L178A165-A169 WeakPolarHBondContact O-CB 3.47Å; A165-A169 PolarHBondContact O-N 3.43Å; A166-A169 PolarHBondContact O-N 2.86Å; L167-A169 VanDerWaalsContact C-N 3.32Å; L167-A169 PolarHBondContact O-N 2.88Å; A169-N173 PolarHBondContact O-N 2.9Å; A169-N173 VanDerWaalsContact O-N 3.1Å; A169-S174 WeakPolarHBondContact CB-OG 3.46Å; A169-S174 PolarHBondContact O-N 3.48Å; A169-S174 PolarHBondContact O-OG 2.85Å; A169-V176 WeakPolarHBondContact CB-O 3.39Å; A169-L178 HydrophobicContact CB-CD1 3.57Å
170N96.9Very high98.2Very high104 Ų10444.8 Ų44.856%0.55626%0.256SS*.Hα-helixtrans-65.8-46.7172.8-68-20.7000111.5A166 L167 A168 M172 N173 N239A166-N170 PolarHBondContact O-N 3Å; L167-N170 WeakPolarHBondContact O-CB 3.46Å; L167-N170 PolarHBondContact O-N 3.22Å; A168-N170 VanDerWaalsContact C-N 3.28Å; A168-N170 PolarHBondContact O-N 3.16Å; N170-M172 VanDerWaalsContact C-N 3.28Å; N170-M172 PolarHBondContact O-N 3.23Å; N170-N173 PolarHBondContact O-N 3.46Å; N170-N173 VanDerWaalsContact O-N 3.08Å; N170-N239 PolarHBondContact OD1-ND2 3.29Å
171L96.1Very high98.2Very high156 Ų15643.1 Ų43.182%0.81724%0.239SC*.Hα-helixtrans-61-38.1178.4-66175.1000112.2L167 A168 N173L167-L171 PolarHBondContact O-N 3.39Å; A168-L171 PolarHBondContact O-N 3.36Å; A168-L171 VanDerWaalsContact O-N 3.15Å; L171-N173 VanDerWaalsContact C-N 3.27Å; L171-N173 PolarHBondContact O-N 3.14Å
172M96.4Very high98.2Very high115 Ų11541.8 Ų41.857%0.56723%0.233SC*.THydrogen-bonded Turntrans-79.3-9.9178-66.2174.1-176.700113.3Q125 A168 N170 S174Q125-M172 WeakPolarHBondContact CG-O 3.41Å; Q125-M172 PolarHBondContact NE2-O 2.92Å; Q125-M172 VanDerWaalsContact NE2-O 3.08Å; A168-M172 HydrophobicContact CB-CE 4.49Å; A168-M172 VanDerWaalsContact O-CG 3.32Å; A168-M172 WeakPolarHBondContact O-CG 3.37Å; A168-M172 PolarHBondContact O-N 3.37Å; N170-M172 VanDerWaalsContact C-N 3.28Å; N170-M172 PolarHBondContact O-N 3.23Å; M172-S174 PolarHBondContact O-N 3.15Å
173N97.4Very high98.2Very high114 Ų11442.1 Ų42.161%0.6124%0.235SC*.THydrogen-bonded Turntrans45.846.3-167.4-17025.7000111.5Q125 A169 N170 L171 G175Q125-N173 PolarHBondContact NE2-O 2.85Å; A169-N173 PolarHBondContact O-N 2.9Å; A169-N173 VanDerWaalsContact O-N 3.1Å; N170-N173 PolarHBondContact O-N 3.46Å; N170-N173 VanDerWaalsContact O-N 3.08Å; L171-N173 VanDerWaalsContact C-N 3.27Å; L171-N173 PolarHBondContact O-N 3.14Å; N173-G175 PolarHBondContact O-N 2.88Å
174S98.3Very high98.1Very high2 Ų239.2 Ų39.21%0.01423%0.23CC..  trans-70.9-20-173.167.50000112.7S123 K124 A169 M172 V176S123-S174 WeakPolarHBondContact OG-CB 3.32Å; K124-S174 WeakPolarHBondContact CG-O 3.3Å; K124-S174 PolarHBondContact N-O 3.04Å; A169-S174 WeakPolarHBondContact CB-OG 3.46Å; A169-S174 PolarHBondContact O-N 3.48Å; A169-S174 PolarHBondContact O-OG 2.85Å; M172-S174 PolarHBondContact O-N 3.15Å; S174-V176 PolarHBondContact O-N 2.9Å; S174-V176 PolarHBondContact OG-N 3.47Å; S174-V176 VanDerWaalsContact OG-N 3.15Å
175G98.3Very high98.1Very high32 Ų3238.1 Ų38.133%0.3322%0.216SC..  trans70.87.8-170.600000114G130 G131 N173G130-G175 WeakPolarHBondContact CA-O 3.49Å; G131-G175 PolarHBondContact N-O 3.29Å; G131-G175 VanDerWaalsContact N-O 3.09Å; N173-G175 PolarHBondContact O-N 2.88Å
176V98.8Very high98Very high4 Ų438 Ų382%0.02421%0.214CC..EExtended strand (participates in β ladder)trans-103.1125179-176.30000109.8L119 M122 G131 I133 A169 S174 L178L119-V176 HydrophobicContact CD2-CB 3.8Å; L119-V176 HydrophobicContact CD2-CG1 3.86Å; L119-V176 HydrophobicContact CD2-CG2 4.03Å; M122-V176 HydrophobicContact CB-CG2 3.75Å; M122-V176 HydrophobicContact CE-CG1 4.26Å; G131-V176 WeakPolarHBondContact O-CA 3.29Å; I133-V176 HydrophobicContact CD1-CG1 3.9Å; I133-V176 HydrophobicContact CG1-CG1 3.87Å; A169-V176 WeakPolarHBondContact CB-O 3.39Å; S174-V176 PolarHBondContact O-N 2.9Å; S174-V176 PolarHBondContact OG-N 3.47Å; S174-V176 VanDerWaalsContact OG-N 3.15Å; V176-L178 HydrophobicContact CG1-CD1 4.33Å
177R98.8Very high97.8Very high23 Ų2342.3 Ų42.39%0.08724%0.237CC..EExtended strand (participates in β ladder)trans-89.7141.5172.9-60.5-173.9-64.7107.6-9.2110.1G131 I132 I133 L232 I233 D235 D236 L238 N239G131-R177 PolarHBondContact O-N 2.89Å; I132-R177 CarbonylContact C-O 3.58Å; I132-R177 WeakPolarHBondContact CA-O 3.49Å; I132-R177 HydrophobicContact CG1-CB 4.22Å; I133-R177 PolarHBondContact N-O 3.42Å; R177-L232 PolarHBondContact NH1-O 2.96Å; R177-L232 PolarHBondContact NH2-O 2.83Å; R177-L232 VanDerWaalsContact NH2-O 3.11Å; R177-I233 PolarHBondContact NH2-O 3.05Å; R177-D235 VanDerWaalsContact CZ-O 3.26Å; R177-D235 PolarHBondContact NH1-O 2.92Å; R177-D235 VanDerWaalsContact NH1-O 3.08Å; R177-D235 PolarHBondContact NH2-O 3.46Å; R177-D236 WeakPolarHBondContact CD-O 3.47Å; R177-D236 IonicContact NE-OD1 2.8Å; R177-D236 IonicContact NH2-OD1 3.73Å; R177-L238 WeakPolarHBondContact CD-O 3.48Å; R177-L238 PolarHBondContact NH1-O 3.03Å; R177-N239 WeakPolarHBondContact CA-OD1 3.36Å; R177-N239 HydrophobicContact CB-CB 4.33Å; R177-N239 HydrophobicContact CG-CB 4.23Å
178L98.9Very high97.7Very high0 Ų037.9 Ų37.90%021%0.214CC..EExtended strand (participates in β ladder)trans-126.4122.9177.7-60.695.7000110.3T115 I133 T162 A165 A166 A169 V176 N239 G240T115-L178 HydrophobicContact CG2-CD2 3.47Å; T115-L178 VanDerWaalsContact CG2-CD2 3.47Å; I133-L178 HydrophobicContact CB-CD2 4.21Å; I133-L178 HydrophobicContact CB-CG 4.12Å; I133-L178 HydrophobicContact CD1-CD2 4Å; I133-L178 HydrophobicContact CD1-CG 4.37Å; I133-L178 WeakPolarHBondContact O-CA 3.17Å; T162-L178 HydrophobicContact CG2-CB 4.26Å; A165-L178 HydrophobicContact CB-CD2 3.77Å; A166-L178 HydrophobicContact CB-CB 4.2Å; A169-L178 HydrophobicContact CB-CD1 3.57Å; V176-L178 HydrophobicContact CG1-CD1 4.33Å; L178-N239 PolarHBondContact N-OD1 2.66Å; L178-G240 VanDerWaalsContact O-CA 3.3Å; L178-G240 WeakPolarHBondContact O-CA 3.15Å; L178-G240 PolarHBondContact O-N 3.35Å
179N98.9Very high97.5Very high0 Ų038.4 Ų38.40%022%0.219CC..EExtended strand (participates in β ladder)trans-137.7160-177-60.8-64.8000110.8I133 I134 N135 T162 L232 L238 N239 G240 A241I133-N179 PolarHBondContact O-N 3.27Å; I134-N179 WeakPolarHBondContact CA-O 3.49Å; N135-N179 PolarHBondContact N-O 3.08Å; T162-N179 VanDerWaalsContact CG2-C 3.44Å; N179-L232 HydrophobicContact CB-CD1 3.94Å; N179-L232 HydrophobicContact CB-CD2 3.94Å; N179-L232 HydrophobicContact CB-CG 4.45Å; N179-L238 PolarHBondContact ND2-O 3.26Å; N179-L238 PolarHBondContact OD1-O 3.21Å; N179-N239 WeakPolarHBondContact OD1-CA 3.4Å; N179-G240 PolarHBondContact OD1-N 2.7Å; N179-G240 VanDerWaalsContact OD1-N 3.16Å; N179-A241 WeakPolarHBondContact CA-O 3.39Å; N179-A241 VanDerWaalsContact OD1-CB 3.29Å; N179-A241 WeakPolarHBondContact OD1-CB 3.42Å; N179-A241 PolarHBondContact OD1-N 3.49Å
180A98.9Very high97.3Very high0 Ų041 Ų410%023%0.231CC..EExtended strand (participates in β ladder)trans-125.2147.3175.300000112.2N135 T162 A241 I242 M243N135-A180 WeakPolarHBondContact O-CA 3.47Å; N135-A180 WeakPolarHBondContact O-CB 3.47Å; T162-A180 HydrophobicContact CG2-CB 4.13Å; A180-A241 PolarHBondContact N-O 3.5Å; A180-I242 HydrophobicContact CB-CD1 3.9Å; A180-M243 PolarHBondContact O-N 2.98Å
181I98.9Very high97.1Very high0 Ų037.4 Ų37.40%021%0.212CC..EExtended strand (participates in β ladder)trans-108.2129.9170.8-53.2175.2000108.6F21 I134 N135 M136 S137 P183 I225 L229 L232 M243 I245F21-I181 HydrophobicContact CZ-CD1 4.17Å; I134-I181 HydrophobicContact CG2-CD1 3.84Å; I134-I181 HydrophobicContact CG2-CG1 3.86Å; N135-I181 PolarHBondContact O-N 2.98Å; N135-I181 VanDerWaalsContact O-N 3.11Å; M136-I181 HydrophobicContact CE-CB 4.28Å; M136-I181 HydrophobicContact CE-CG2 4.41Å; M136-I181 HydrophobicContact SD-CB 3.84Å; M136-I181 HydrophobicContact SD-CD1 4.22Å; M136-I181 HydrophobicContact SD-CG1 4.43Å; M136-I181 HydrophobicContact SD-CG2 4.47Å; S137-I181 CarbonylContact C-O 3.4Å; S137-I181 WeakPolarHBondContact CA-O 3.18Å; S137-I181 PolarHBondContact N-O 3.36Å; I181-P183 WeakPolarHBondContact O-CD 3.39Å; I181-I225 HydrophobicContact CG2-CG2 4.08Å; I181-L229 HydrophobicContact CD1-CB 4.14Å; I181-L232 HydrophobicContact CD1-CD1 3.98Å; I181-L232 HydrophobicContact CG1-CD1 3.56Å; I181-M243 CarbonylContact C-O 3.45Å; I181-M243 WeakPolarHBondContact CA-O 3.25Å; I181-M243 HydrophobicContact CG1-SD 4.44Å; I181-I245 HydrophobicContact CG2-CD1 3.69Å; I181-I245 HydrophobicContact CG2-CG1 4.11Å
182C98.8Very high97Very high0 Ų035.7 Ų35.70%020%0.2CC..EExtended strand (participates in β ladder)trans-119.175.7-177.8-59.80000109S138 L142 I242 M243 K244 I245S138-C182 WeakPolarHBondContact O-CB 3.2Å; L142-C182 HydrophobicContact CD1-CB 4.18Å; C182-I242 VanDerWaalsContact SG-CG2 3.54Å; C182-M243 WeakPolarHBondContact CA-O 3.27Å; C182-M243 WeakPolarHBondContact CB-O 3.34Å; C182-M243 PolarHBondContact N-O 3.16Å; C182-K244 HydrophobicContact CB-CG 4.21Å; C182-K244 WeakPolarHBondContact O-CA 3.49Å; C182-I245 PolarHBondContact O-N 3.16Å
183P98.6Very high97Very high8 Ų830.7 Ų30.75%0.05218%0.176CC..EExtended strand (participates in β ladder)trans-69.7154.3178.431-36.1000111.6M136 L139 I181 V186 I225 I245M136-P183 HydrophobicContact CE-CG 3.88Å; L139-P183 PolarHBondContact N-O 3.4Å; I181-P183 WeakPolarHBondContact O-CD 3.39Å; P183-V186 HydrophobicContact CB-CG2 3.79Å; P183-V186 HydrophobicContact CG-CG2 4.37Å; P183-I225 HydrophobicContact CB-CD1 3.83Å; P183-I245 CarbonylContact C-O 3.53Å
184G98.1Very high96.9Very high19 Ų1925.6 Ų25.620%0.19615%0.149CC..  trans-71.2-151158.300000111.6I245G184-I245 PolarHBondContact N-O 3.28Å
185F97.5Very high96.8Very high53 Ų5329.7 Ų29.723%0.23217%0.168CC..  trans-69.1132.8176.8-56-64.7000111L191 I210 M213 I214 L220F185-L191 HydrophobicContact CB-CD1 4.25Å; F185-L191 HydrophobicContact CD1-CD1 3.79Å; F185-L191 HydrophobicContact CG-CD1 4.39Å; F185-I210 HydrophobicContact CE1-CG2 4.13Å; F185-I210 HydrophobicContact CZ-CG2 4.49Å; F185-M213 HydrophobicContact CE2-CB 3.93Å; F185-M213 HydrophobicContact CZ-CB 3.92Å; F185-I214 HydrophobicContact CB-CG1 4.37Å; F185-I214 HydrophobicContact CD1-CD1 4.42Å; F185-I214 HydrophobicContact CD1-CG1 3.77Å; F185-I214 HydrophobicContact CD2-CB 4.46Å; F185-I214 HydrophobicContact CD2-CG1 3.84Å; F185-I214 HydrophobicContact CE1-CG1 3.94Å; F185-I214 HydrophobicContact CE2-CG1 4.01Å; F185-I214 HydrophobicContact CG-CG1 3.72Å; F185-I214 HydrophobicContact CZ-CG1 4.05Å; F185-L220 WeakPolarHBondContact O-CB 3.46Å; F185-L220 PolarHBondContact O-N 2.87Å
186V97.1Very high96.8Very high9 Ų933 Ų336%0.05517%0.173CC..BIsolated β-bridgetrans-128.2137.8-180-168.90000109.4I17 P183 T188 L220 P222 I225I17-V186 HydrophobicContact CD1-CB 4.05Å; I17-V186 HydrophobicContact CD1-CG1 4.01Å; I17-V186 HydrophobicContact CD1-CG2 3.95Å; I17-V186 HydrophobicContact CG1-CB 4.44Å; I17-V186 HydrophobicContact CG1-CG1 3.87Å; P183-V186 HydrophobicContact CB-CG2 3.79Å; P183-V186 HydrophobicContact CG-CG2 4.37Å; V186-T188 HydrophobicContact CB-CG2 4.39Å; V186-T188 HydrophobicContact CG1-CG2 4.07Å; V186-T188 PolarHBondContact O-N 3.21Å; V186-T188 PolarHBondContact O-OG1 3.3Å; V186-L220 WeakPolarHBondContact CA-O 3.43Å; V186-L220 WeakPolarHBondContact CG1-O 3.3Å; V186-L220 HydrophobicContact CG2-CB 4.3Å; V186-P222 HydrophobicContact CG1-CB 4.49Å; V186-P222 HydrophobicContact CG1-CG 4.01Å; V186-I225 HydrophobicContact CG1-CG1 4.12Å; V186-I225 HydrophobicContact CG2-CD1 3.93Å; V186-I225 HydrophobicContact CG2-CG1 3.97Å
187N95.1Very high96.7Very high93 Ų9337.3 Ų37.350%0.49719%0.193SC..SBendtrans-68.689.8-177.1-167.419000111.3I219 L220N187-I219 HydrophobicContact CB-CG2 3.62Å; N187-L220 PolarHBondContact N-O 3.4Å
188T95.1Very high96.7Very high25 Ų2541.8 Ų41.815%0.15322%0.215CC..SBendtrans-149.5165.9-176.564.90000110.7I17 V186 I190 L191 P222I17-T188 HydrophobicContact CG1-CG2 4.09Å; V186-T188 HydrophobicContact CB-CG2 4.39Å; V186-T188 HydrophobicContact CG1-CG2 4.07Å; V186-T188 PolarHBondContact O-N 3.21Å; V186-T188 PolarHBondContact O-OG1 3.3Å; T188-I190 PolarHBondContact O-N 2.87Å; T188-L191 WeakPolarHBondContact O-CB 3.48Å; T188-L191 PolarHBondContact O-N 2.54Å; T188-P222 HydrophobicContact CG2-CG 4.33Å
189A93.6Very high96.6Very high44 Ų4443.3 Ų43.336%0.36422%0.223SC..Hα-helixtrans-57-22.4176.900000114.9L191 E192 S193A189-L191 VanDerWaalsContact C-N 3.27Å; A189-L191 PolarHBondContact O-N 2.77Å; A189-E192 PolarHBondContact O-N 3.47Å; A189-S193 PolarHBondContact O-N 3.48Å
190I93.4Very high96.6Very high60 Ų6043.3 Ų43.331%0.30822%0.223SC..Hα-helixtrans-64.1-36173.2-76.2178.7000110.9N95 T188 E192 S193N95-I190 HydrophobicContact CB-CG2 4.1Å; T188-I190 PolarHBondContact O-N 2.87Å; I190-E192 VanDerWaalsContact C-N 3.33Å; I190-S193 PolarHBondContact O-N 3.15Å; I190-S193 PolarHBondContact O-OG 3.17Å; I190-S193 VanDerWaalsContact O-OG 3.07Å
191L93.1Very high96.5Very high28 Ų2843.9 Ų43.915%0.14723%0.229CC..Hα-helixtrans-69.9-35.4-179-155.566.1000111.1F185 T188 A189 S193 I194 I214 I219F185-L191 HydrophobicContact CB-CD1 4.25Å; F185-L191 HydrophobicContact CD1-CD1 3.79Å; F185-L191 HydrophobicContact CG-CD1 4.39Å; T188-L191 WeakPolarHBondContact O-CB 3.48Å; T188-L191 PolarHBondContact O-N 2.54Å; A189-L191 VanDerWaalsContact C-N 3.27Å; A189-L191 PolarHBondContact O-N 2.77Å; L191-S193 PolarHBondContact O-N 3.38Å; L191-I194 VanDerWaalsContact O-CG1 3.28Å; L191-I194 WeakPolarHBondContact O-CG1 3.39Å; L191-I214 HydrophobicContact CD1-CD1 3.58Å; L191-I214 HydrophobicContact CD1-CG1 4.19Å; L191-I214 HydrophobicContact CD2-CD1 4.15Å; L191-I214 HydrophobicContact CG-CD1 3.86Å; L191-I219 HydrophobicContact CD2-CD1 3.85Å; L191-I219 HydrophobicContact CD2-CG1 4.16Å; L191-I219 HydrophobicContact CD2-CG2 4.29Å
192E94.1Very high96.5Very high120 Ų12051.1 Ų51.156%0.56126%0.262SS*.Hα-helixtrans-67.8-24.2175.3-62172.6-170.100112.8A189 I190 I194 E195A189-E192 PolarHBondContact O-N 3.47Å; I190-E192 VanDerWaalsContact C-N 3.33Å; E192-I194 PolarHBondContact O-N 3.27Å; E192-E195 PolarHBondContact O-N 3.06Å
193S95.4Very high96.4Very high10 Ų1053.2 Ų53.27%0.0727%0.271CS..G310 helixtrans-71.7-10.6-176.694.60000113.2N95 A189 I190 L191 E195 K196 N199N95-S193 WeakPolarHBondContact CB-OG 3.4Å; N95-S193 PolarHBondContact ND2-OG 3.07Å; A189-S193 PolarHBondContact O-N 3.48Å; I190-S193 PolarHBondContact O-N 3.15Å; I190-S193 PolarHBondContact O-OG 3.17Å; I190-S193 VanDerWaalsContact O-OG 3.07Å; L191-S193 PolarHBondContact O-N 3.38Å; S193-E195 PolarHBondContact O-N 3.08Å; S193-K196 PolarHBondContact O-N 2.9Å; S193-N199 VanDerWaalsContact O-CB 3.26Å; S193-N199 WeakPolarHBondContact O-CB 3.16Å
194I95.7Very high96.4Very high8 Ų854 Ų544%0.04127%0.274CS..G310 helixtrans-69.9-17.2175.775.9-175.6000112.7L191 E192 K196 M200 K207 I210 K211 I214L191-I194 VanDerWaalsContact O-CG1 3.28Å; L191-I194 WeakPolarHBondContact O-CG1 3.39Å; E192-I194 PolarHBondContact O-N 3.27Å; I194-K196 VanDerWaalsContact C-N 3.31Å; I194-M200 HydrophobicContact CB-SD 4.32Å; I194-M200 HydrophobicContact CG2-SD 4.47Å; I194-M200 WeakPolarHBondContact O-CG 3.19Å; I194-K207 WeakPolarHBondContact O-CB 3.37Å; I194-I210 HydrophobicContact CD1-CB 4.3Å; I194-I210 HydrophobicContact CD1-CG2 3.82Å; I194-I210 HydrophobicContact CG2-CD1 4.37Å; I194-K211 HydrophobicContact CD1-CG 3.96Å; I194-I214 HydrophobicContact CD1-CD1 3.8Å
195E96.8Very high96.4Very high87 Ų8760.6 Ų60.641%0.40730%0.3SS..G310 helixtrans-87.1-0.4-179.8-60.4-70.6-179.600112.9E192 S193 K207 K211E192-E195 PolarHBondContact O-N 3.06Å; S193-E195 PolarHBondContact O-N 3.08Å; E195-K207 WeakPolarHBondContact OE2-CE 3.5Å; E195-K207 IonicContact OE2-NZ 3.55Å; E195-K207 PolarHBondContact OE2-NZ 2.87Å; E195-K211 WeakPolarHBondContact OE1-CD 3.22Å; E195-K211 WeakPolarHBondContact OE1-CE 3.12Å; E195-K211 IonicContact OE1-NZ 2.67Å; E195-K211 PolarHBondContact OE1-NZ 2.92Å; E195-K211 IonicContact OE2-NZ 3.81Å
196K97.6Very high96.4Very high102 Ų10264.5 Ų64.544%0.44331%0.314SS..  trans-115.2123.4-169.3-65.5179.8-174.5174.40111.4S193 I194 E198 N199 M200S193-K196 PolarHBondContact O-N 2.9Å; I194-K196 VanDerWaalsContact C-N 3.31Å; K196-E198 WeakPolarHBondContact CB-OE2 3.4Å; K196-E198 PolarHBondContact O-N 3.34Å; K196-N199 HydrophobicContact CB-CB 4.29Å; K196-N199 WeakPolarHBondContact CB-OD1 3.45Å; K196-N199 PolarHBondContact O-N 3.44Å; K196-M200 PolarHBondContact O-N 3.38Å
197E97.1Very high96.4Very high95 Ų9566 Ų6644%0.44432%0.32SS..Hα-helixtrans-63.1-30.4176.9-168.5-12112800111.3K98 N199 M200 G201 I204K98-E197 IonicContact NZ-OE1 2.72Å; K98-E197 PolarHBondContact NZ-OE1 3.01Å; E197-N199 PolarHBondContact O-N 2.95Å; E197-N199 VanDerWaalsContact O-N 3.16Å; E197-M200 PolarHBondContact O-N 3.37Å; E197-G201 WeakPolarHBondContact O-CA 3.4Å; E197-G201 PolarHBondContact O-N 3.19Å; E197-I204 HydrophobicContact CB-CG1 4.22Å; E197-I204 HydrophobicContact CG-CB 4.42Å; E197-I204 HydrophobicContact CG-CG2 4.08Å
198E97.6Very high96.5Very high117 Ų11765.4 Ų65.455%0.54732%0.317SS..Hα-helixtrans-62.7-22175.5-56.282.7-177.200113.2N96 K196N96-E198 PolarHBondContact ND2-O 3.31Å; N96-E198 PolarHBondContact OD1-O 3.18Å; K196-E198 WeakPolarHBondContact CB-OE2 3.4Å; K196-E198 PolarHBondContact O-N 3.34Å
199N98.2Very high96.5Very high32 Ų3269.7 Ų69.717%0.17134%0.335CS..Hα-helixtrans-101.3-40.2176.2-66.996.5000111.7N95 N96 E97 K98 S193 K196 E197N95-N199 PolarHBondContact O-ND2 2.58Å; N96-N199 CarbonylContact C-O 3.44Å; N96-N199 WeakPolarHBondContact CA-O 3.36Å; E97-N199 PolarHBondContact N-O 2.69Å; K98-N199 PolarHBondContact N-O 2.8Å; S193-N199 VanDerWaalsContact O-CB 3.26Å; S193-N199 WeakPolarHBondContact O-CB 3.16Å; K196-N199 HydrophobicContact CB-CB 4.29Å; K196-N199 WeakPolarHBondContact CB-OD1 3.45Å; K196-N199 PolarHBondContact O-N 3.44Å; E197-N199 PolarHBondContact O-N 2.95Å; E197-N199 VanDerWaalsContact O-N 3.16Å
200M98.1Very high96.6Very high0 Ų067.9 Ų67.90%032%0.319CS..Hα-helixtrans-92.5-19.8-171.3-62.1-60.7-71.300113.7Q147 Q148 I194 K196 E197 Q202 Y203 I204 I210Q147-M200 HydrophobicContact CB-CE 4.01Å; Q147-M200 WeakPolarHBondContact O-CE 3.4Å; Q148-M200 HydrophobicContact CG-CE 4.14Å; I194-M200 HydrophobicContact CB-SD 4.32Å; I194-M200 HydrophobicContact CG2-SD 4.47Å; I194-M200 WeakPolarHBondContact O-CG 3.19Å; K196-M200 PolarHBondContact O-N 3.38Å; E197-M200 PolarHBondContact O-N 3.37Å; M200-Q202 PolarHBondContact O-N 3.42Å; M200-Y203 WeakPolarHBondContact O-CB 3.36Å; M200-Y203 VanDerWaalsContact O-CD2 3.27Å; M200-Y203 WeakPolarHBondContact O-CD2 3.32Å; M200-Y203 PolarHBondContact O-N 3.33Å; M200-I204 HydrophobicContact CB-CB 3.95Å; M200-I204 HydrophobicContact CB-CD1 3.9Å; M200-I204 HydrophobicContact CG-CD1 4.04Å; M200-I210 HydrophobicContact CE-CD1 3.98Å
201G97.8Very high96.7Very high11 Ų1168.6 Ų68.611%0.11332%0.32CS..G310 helixtrans50.4-128-177.600000111.8E197 Y203 I204E197-G201 WeakPolarHBondContact O-CA 3.4Å; E197-G201 PolarHBondContact O-N 3.19Å; G201-Y203 PolarHBondContact O-N 3.06Å; G201-I204 VanDerWaalsContact O-CG2 3.28Å; G201-I204 WeakPolarHBondContact O-CG2 3.03Å; G201-I204 PolarHBondContact O-N 3.39Å
202Q97.2Very high96.8Very high152 Ų15272.2 Ų72.271%0.7134%0.339SS*.G310 helixtrans-61.1-15.3179.171.3-175.5-64.800114.7M200M200-Q202 PolarHBondContact O-N 3.42Å
203Y98.2Very high96.7Very high45 Ų4570 Ų7018%0.17633%0.33CS..G310 helixtrans-89.9-4.5-177.3-51-67.8000113.5E97 Q147 P149 M200 G201 E205 Y206E97-Y203 HydrophobicContact CB-CD2 3.61Å; E97-Y203 HydrophobicContact CB-CE2 3.77Å; E97-Y203 HydrophobicContact CG-CD2 3.81Å; E97-Y203 HydrophobicContact CG-CE2 4.04Å; Q147-Y203 VanDerWaalsContact O-CB 3.25Å; Q147-Y203 WeakPolarHBondContact O-CB 3.28Å; P149-Y203 HydrophobicContact CG-CE1 3.99Å; P149-Y203 HydrophobicContact CG-CE2 3.88Å; P149-Y203 VanDerWaalsContact CG-CZ 3.41Å; P149-Y203 WeakPolarHBondContact CG-OH 3.34Å; M200-Y203 WeakPolarHBondContact O-CB 3.36Å; M200-Y203 VanDerWaalsContact O-CD2 3.27Å; M200-Y203 WeakPolarHBondContact O-CD2 3.32Å; M200-Y203 PolarHBondContact O-N 3.33Å; G201-Y203 PolarHBondContact O-N 3.06Å; Y203-E205 VanDerWaalsContact C-N 3.26Å; Y203-E205 PolarHBondContact O-N 3.43Å; Y203-Y206 PolarHBondContact O-N 2.95Å
204I98.3Very high96.7Very high25 Ų2570.6 Ų70.613%0.12833%0.332CS..G310 helixtrans-57.9-37.6-175.3-17063.9000112.8E197 M200 G201 Y206 K207E197-I204 HydrophobicContact CB-CG1 4.22Å; E197-I204 HydrophobicContact CG-CB 4.42Å; E197-I204 HydrophobicContact CG-CG2 4.08Å; M200-I204 HydrophobicContact CB-CB 3.95Å; M200-I204 HydrophobicContact CB-CD1 3.9Å; M200-I204 HydrophobicContact CG-CD1 4.04Å; G201-I204 VanDerWaalsContact O-CG2 3.28Å; G201-I204 WeakPolarHBondContact O-CG2 3.03Å; G201-I204 PolarHBondContact O-N 3.39Å; I204-Y206 PolarHBondContact O-N 3.32Å; I204-Y206 VanDerWaalsContact O-N 3.16Å; I204-K207 HydrophobicContact CD1-CD 3.77Å; I204-K207 HydrophobicContact CG1-CD 4.4Å; I204-K207 WeakPolarHBondContact O-CB 3.48Å; I204-K207 WeakPolarHBondContact O-CD 3.25Å; I204-K207 VanDerWaalsContact O-CG 3.23Å; I204-K207 WeakPolarHBondContact O-CG 3.3Å; I204-K207 PolarHBondContact O-N 2.77Å
205E97.4Very high96.6Very high156 Ų15678.9 Ų78.973%0.72937%0.368SS*.G310 helixtrans-64.7-19.1179.6-61.1-58.6141.100112.9Y203Y203-E205 VanDerWaalsContact C-N 3.26Å; Y203-E205 PolarHBondContact O-N 3.43Å
206Y97.4Very high96.5Very high135 Ų13583.4 Ų83.453%0.52938%0.382SS..G310 helixtrans-104.85.9-178.3-49.5-70.7000113.3Q147 Y203 I204 D208 H209Q147-Y206 WeakPolarHBondContact CG-O 3.47Å; Y203-Y206 PolarHBondContact O-N 2.95Å; I204-Y206 PolarHBondContact O-N 3.32Å; I204-Y206 VanDerWaalsContact O-N 3.16Å; Y206-D208 PolarHBondContact O-N 3.09Å; Y206-H209 PolarHBondContact O-N 3.26Å
207K96.5Very high96.3Very high41 Ų4183.9 Ų83.918%0.17838%0.382CS..Hα-helixtrans-58.6-29.8-175.372.1-172.1175.764.50113.3I194 E195 I204 H209 I210 K211I194-K207 WeakPolarHBondContact O-CB 3.37Å; E195-K207 WeakPolarHBondContact OE2-CE 3.5Å; E195-K207 IonicContact OE2-NZ 3.55Å; E195-K207 PolarHBondContact OE2-NZ 2.87Å; I204-K207 HydrophobicContact CD1-CD 3.77Å; I204-K207 HydrophobicContact CG1-CD 4.4Å; I204-K207 WeakPolarHBondContact O-CB 3.48Å; I204-K207 WeakPolarHBondContact O-CD 3.25Å; I204-K207 VanDerWaalsContact O-CG 3.23Å; I204-K207 WeakPolarHBondContact O-CG 3.3Å; I204-K207 PolarHBondContact O-N 2.77Å; K207-H209 PolarHBondContact O-N 3.28Å; K207-I210 WeakPolarHBondContact O-CA 3.23Å; K207-I210 WeakPolarHBondContact O-CB 3.36Å; K207-I210 PolarHBondContact O-N 3.41Å; K207-K211 PolarHBondContact O-N 3.24Å
208D97.2Very high96.3Very high81 Ų8180.6 Ų80.643%0.43337%0.374SS..Hα-helixtrans-65.8-25.3-175.4-69.4-10.9000112Y206 I210 K211 D212Y206-D208 PolarHBondContact O-N 3.09Å; D208-I210 VanDerWaalsContact C-N 3.34Å; D208-I210 PolarHBondContact O-N 3.28Å; D208-K211 WeakPolarHBondContact O-CB 3.32Å; D208-K211 PolarHBondContact O-N 3.45Å; D208-K211 VanDerWaalsContact O-N 3.15Å; D208-K211 WeakPolarHBondContact OD1-CD 3.45Å; D208-D212 PolarHBondContact O-N 3.33Å
209H96.4Very high96.3Very high114 Ų11478.5 Ų78.553%0.52837%0.366SS..Hα-helixtrans-63.6-37.9169.8-67.8-174.3000112.4Y206 K207 K211 M213Y206-H209 PolarHBondContact O-N 3.26Å; K207-H209 PolarHBondContact O-N 3.28Å; H209-K211 VanDerWaalsContact C-N 3.32Å; H209-M213 WeakPolarHBondContact O-CG 3.29Å; H209-M213 PolarHBondContact O-N 2.87Å; H209-M213 VanDerWaalsContact O-N 3.15Å
210I94.6Very high96.3Very high6 Ų677.5 Ų77.53%0.03136%0.36CS..Hα-helixtrans-66.6-40.3173.8-63.7167.1000109.4Q147 Q148 F185 I194 M200 K207 D208 D212 M213 I214Q147-I210 HydrophobicContact CB-CD1 3.58Å; Q147-I210 HydrophobicContact CB-CG1 4.16Å; Q147-I210 HydrophobicContact CG-CD1 4.04Å; Q147-I210 HydrophobicContact CG-CG1 4.12Å; Q148-I210 HydrophobicContact CG-CD1 4.14Å; F185-I210 HydrophobicContact CE1-CG2 4.13Å; F185-I210 HydrophobicContact CZ-CG2 4.49Å; I194-I210 HydrophobicContact CD1-CB 4.3Å; I194-I210 HydrophobicContact CD1-CG2 3.82Å; I194-I210 HydrophobicContact CG2-CD1 4.37Å; M200-I210 HydrophobicContact CE-CD1 3.98Å; K207-I210 WeakPolarHBondContact O-CA 3.23Å; K207-I210 WeakPolarHBondContact O-CB 3.36Å; K207-I210 PolarHBondContact O-N 3.41Å; D208-I210 VanDerWaalsContact C-N 3.34Å; D208-I210 PolarHBondContact O-N 3.28Å; I210-D212 PolarHBondContact O-N 3.38Å; I210-M213 WeakPolarHBondContact O-CB 3.42Å; I210-M213 PolarHBondContact O-N 3.15Å; I210-I214 HydrophobicContact CG2-CD1 3.81Å; I210-I214 HydrophobicContact CG2-CG1 4.27Å; I210-I214 VanDerWaalsContact O-CG1 3.31Å; I210-I214 WeakPolarHBondContact O-CG1 3.45Å; I210-I214 PolarHBondContact O-N 3.43Å
211K95.3Very high96.3Very high75 Ų7582.5 Ų82.533%0.32639%0.387SS..Hα-helixtrans-64.7-39.8179.9-62.617467.9161.90112.3I194 E195 K207 D208 H209 M213 I214 K215I194-K211 HydrophobicContact CD1-CG 3.96Å; E195-K211 WeakPolarHBondContact OE1-CD 3.22Å; E195-K211 WeakPolarHBondContact OE1-CE 3.12Å; E195-K211 IonicContact OE1-NZ 2.67Å; E195-K211 PolarHBondContact OE1-NZ 2.92Å; E195-K211 IonicContact OE2-NZ 3.81Å; K207-K211 PolarHBondContact O-N 3.24Å; D208-K211 WeakPolarHBondContact O-CB 3.32Å; D208-K211 PolarHBondContact O-N 3.45Å; D208-K211 VanDerWaalsContact O-N 3.15Å; D208-K211 WeakPolarHBondContact OD1-CD 3.45Å; H209-K211 VanDerWaalsContact C-N 3.32Å; K211-M213 VanDerWaalsContact C-N 3.33Å; K211-I214 PolarHBondContact O-N 2.83Å; K211-K215 WeakPolarHBondContact O-CB 3.35Å; K211-K215 PolarHBondContact O-N 3.49Å
212D95.9Very high96.3Very high104 Ų10483 Ų8356%0.55639%0.388SS*.Hα-helixtrans-63.8-41.1174.2-72.9-20.6000111.3D208 I210 K215 Y216D208-D212 PolarHBondContact O-N 3.33Å; I210-D212 PolarHBondContact O-N 3.38Å; D212-K215 PolarHBondContact O-N 3.07Å; D212-Y216 WeakPolarHBondContact O-CB 3.35Å; D212-Y216 PolarHBondContact O-N 3.49Å
213M93Very high96.4Very high73 Ų7379.3 Ų79.336%0.3638%0.377SS..Hα-helixtrans-62-43.9173-68-76.1-67.700111.7F185 H209 I210 K211 K215 Y216 Y217F185-M213 HydrophobicContact CE2-CB 3.93Å; F185-M213 HydrophobicContact CZ-CB 3.92Å; H209-M213 WeakPolarHBondContact O-CG 3.29Å; H209-M213 PolarHBondContact O-N 2.87Å; H209-M213 VanDerWaalsContact O-N 3.15Å; I210-M213 WeakPolarHBondContact O-CB 3.42Å; I210-M213 PolarHBondContact O-N 3.15Å; K211-M213 VanDerWaalsContact C-N 3.33Å; M213-K215 VanDerWaalsContact C-N 3.33Å; M213-K215 PolarHBondContact O-N 3.48Å; M213-Y216 PolarHBondContact O-N 3.01Å; M213-Y217 HydrophobicContact CB-CD2 4.39Å; M213-Y217 HydrophobicContact CE-CD2 3.78Å; M213-Y217 HydrophobicContact CE-CE2 3.28Å; M213-Y217 WeakPolarHBondContact O-CB 3.43Å; M213-Y217 VanDerWaalsContact O-CD2 3.3Å; M213-Y217 WeakPolarHBondContact O-CD2 3.46Å; M213-Y217 PolarHBondContact O-N 3.13Å; M213-Y217 HydrophobicContact SD-CD2 4.17Å; M213-Y217 HydrophobicContact SD-CE2 3.61Å
214I94.6Very high96.4Very high23 Ų2379.9 Ų79.912%0.11838%0.383CS..Hα-helixtrans-60.3-44.8175.7-70.5164.1000110.5F185 L191 I194 I210 K211 Y216 G218 I219F185-I214 HydrophobicContact CB-CG1 4.37Å; F185-I214 HydrophobicContact CD1-CD1 4.42Å; F185-I214 HydrophobicContact CD1-CG1 3.77Å; F185-I214 HydrophobicContact CD2-CB 4.46Å; F185-I214 HydrophobicContact CD2-CG1 3.84Å; F185-I214 HydrophobicContact CE1-CG1 3.94Å; F185-I214 HydrophobicContact CE2-CG1 4.01Å; F185-I214 HydrophobicContact CG-CG1 3.72Å; F185-I214 HydrophobicContact CZ-CG1 4.05Å; L191-I214 HydrophobicContact CD1-CD1 3.58Å; L191-I214 HydrophobicContact CD1-CG1 4.19Å; L191-I214 HydrophobicContact CD2-CD1 4.15Å; L191-I214 HydrophobicContact CG-CD1 3.86Å; I194-I214 HydrophobicContact CD1-CD1 3.8Å; I210-I214 HydrophobicContact CG2-CD1 3.81Å; I210-I214 HydrophobicContact CG2-CG1 4.27Å; I210-I214 VanDerWaalsContact O-CG1 3.31Å; I210-I214 WeakPolarHBondContact O-CG1 3.45Å; I210-I214 PolarHBondContact O-N 3.43Å; K211-I214 PolarHBondContact O-N 2.83Å; I214-Y216 VanDerWaalsContact C-N 3.32Å; I214-Y216 PolarHBondContact O-N 2.65Å; I214-G218 VanDerWaalsContact O-CA 3.24Å; I214-G218 WeakPolarHBondContact O-CA 3.47Å; I214-G218 PolarHBondContact O-N 2.8Å; I214-I219 HydrophobicContact CG2-CD1 3.63Å; I214-I219 HydrophobicContact CG2-CG1 3.56Å
215K94.4Very high96.4Very high182 Ų18278.7 Ų78.779%0.79138%0.377SS*.Hα-helixtrans-64.6-37.3178.8-174.1177.4178.9-177.90112.2K211 D212 M213K211-K215 WeakPolarHBondContact O-CB 3.35Å; K211-K215 PolarHBondContact O-N 3.49Å; D212-K215 PolarHBondContact O-N 3.07Å; M213-K215 VanDerWaalsContact C-N 3.33Å; M213-K215 PolarHBondContact O-N 3.48Å
216Y94.3Very high96.5Very high182 Ų18271.3 Ų71.371%0.71434%0.343SS*.Hα-helixtrans-77.1-48.1-178.5-174.9-93.3000112.7D212 M213 I214D212-Y216 WeakPolarHBondContact O-CB 3.35Å; D212-Y216 PolarHBondContact O-N 3.49Å; M213-Y216 PolarHBondContact O-N 3.01Å; I214-Y216 VanDerWaalsContact C-N 3.32Å; I214-Y216 PolarHBondContact O-N 2.65Å
217Y93.6Very high96.5Very high112 Ų11269.2 Ų69.244%0.43934%0.341SS..Hα-helixtrans-86.8-20.7-176.1-69.7-73.3000113.1M213 T247M213-Y217 HydrophobicContact CB-CD2 4.39Å; M213-Y217 HydrophobicContact CE-CD2 3.78Å; M213-Y217 HydrophobicContact CE-CE2 3.28Å; M213-Y217 WeakPolarHBondContact O-CB 3.43Å; M213-Y217 VanDerWaalsContact O-CD2 3.3Å; M213-Y217 WeakPolarHBondContact O-CD2 3.46Å; M213-Y217 PolarHBondContact O-N 3.13Å; M213-Y217 HydrophobicContact SD-CD2 4.17Å; M213-Y217 HydrophobicContact SD-CE2 3.61Å; Y217-T247 VanDerWaalsContact O-CB 3.25Å; Y217-T247 WeakPolarHBondContact O-CB 3.47Å; Y217-T247 WeakPolarHBondContact O-CG2 3.45Å; Y217-T247 PolarHBondContact O-OG1 3.45Å
218G96.4Very high96.6Very high26 Ų2667.3 Ų67.327%0.26833%0.332SS..  trans81.5177.6-175.400000113.5I214I214-G218 VanDerWaalsContact O-CA 3.24Å; I214-G218 WeakPolarHBondContact O-CA 3.47Å; I214-G218 PolarHBondContact O-N 2.8Å
219I97.4Very high96.7Very high74 Ų7463.4 Ų63.438%0.37931%0.312SS..  trans-119.9135.7-175.6-56.9173.1000108.7N187 L191 I214N187-I219 HydrophobicContact CB-CG2 3.62Å; L191-I219 HydrophobicContact CD2-CD1 3.85Å; L191-I219 HydrophobicContact CD2-CG1 4.16Å; L191-I219 HydrophobicContact CD2-CG2 4.29Å; I214-I219 HydrophobicContact CG2-CD1 3.63Å; I214-I219 HydrophobicContact CG2-CG1 3.56Å
220L98Very high96.8Very high10 Ų1058.6 Ų58.65%0.05229%0.29CS..BIsolated β-bridgetrans-86.9148.3174.1-62.4167.7000111F185 V186 N187 L224 I225 I245 T247F185-L220 WeakPolarHBondContact O-CB 3.46Å; F185-L220 PolarHBondContact O-N 2.87Å; V186-L220 WeakPolarHBondContact CA-O 3.43Å; V186-L220 WeakPolarHBondContact CG1-O 3.3Å; V186-L220 HydrophobicContact CG2-CB 4.3Å; N187-L220 PolarHBondContact N-O 3.4Å; L220-L224 HydrophobicContact CD2-CD2 3.39Å; L220-L224 HydrophobicContact CG-CD2 4.41Å; L220-I225 HydrophobicContact CB-CD1 4.36Å; L220-I225 HydrophobicContact CD1-CD1 3.94Å; L220-I245 HydrophobicContact CD1-CB 4.48Å; L220-I245 HydrophobicContact CD1-CG2 4.05Å; L220-I245 VanDerWaalsContact CD1-O 3.31Å; L220-I245 WeakPolarHBondContact CD1-O 3.45Å; L220-T247 HydrophobicContact CD2-CG2 3.72Å; L220-T247 HydrophobicContact CG-CG2 4.16Å
221D97.9Very high97Very high106 Ų10661 Ų6157%0.56731%0.305SS*.  trans-82.9140.7169.6-61.9-49.1000111P223 L224D221-P223 VanDerWaalsContact C-N 3.32Å; D221-L224 WeakPolarHBondContact O-CB 3.19Å; D221-L224 PolarHBondContact O-N 3.03Å
222P98.4Very high97.2Very high22 Ų2257.4 Ų57.414%0.14329%0.289CS..Hα-helixtrans-49.8-39177.8-28.134.5000115.8A20 V186 T188 L224 I225 A226A20-P222 HydrophobicContact CB-CB 3.62Å; V186-P222 HydrophobicContact CG1-CB 4.49Å; V186-P222 HydrophobicContact CG1-CG 4.01Å; T188-P222 HydrophobicContact CG2-CG 4.33Å; P222-L224 PolarHBondContact O-N 3.22Å; P222-I225 WeakPolarHBondContact O-CB 3.15Å; P222-I225 PolarHBondContact O-N 2.98Å; P222-A226 PolarHBondContact O-N 3.45Å; P222-A226 VanDerWaalsContact O-N 3.17Å
223P98.4Very high97.3Very high73 Ų7352.5 Ų52.547%0.47426%0.263SS..Hα-helixtrans-59.4-29.1176.5-26.937.3000114.3D221 I225 A226 N227D221-P223 VanDerWaalsContact C-N 3.32Å; P223-I225 VanDerWaalsContact C-N 3.28Å; P223-I225 PolarHBondContact O-N 3.41Å; P223-A226 WeakPolarHBondContact O-CB 3.41Å; P223-A226 PolarHBondContact O-N 2.93Å; P223-N227 PolarHBondContact O-N 3.22Å
224L98.3Very high97.6Very high57 Ų5752.7 Ų52.730%0.29826%0.263SS..Hα-helixtrans-66.2-35.1175.3-174.367.5000111.5L220 D221 P222 A226 N227 G228 I245L220-L224 HydrophobicContact CD2-CD2 3.39Å; L220-L224 HydrophobicContact CG-CD2 4.41Å; D221-L224 WeakPolarHBondContact O-CB 3.19Å; D221-L224 PolarHBondContact O-N 3.03Å; P222-L224 PolarHBondContact O-N 3.22Å; L224-A226 VanDerWaalsContact C-N 3.31Å; L224-N227 PolarHBondContact O-N 3.43Å; L224-G228 PolarHBondContact O-N 3.45Å; L224-I245 HydrophobicContact CD2-CG2 3.89Å; L224-I245 HydrophobicContact CG-CG2 4Å
225I98.8Very high97.8Very high0 Ų055 Ų550%028%0.275CS..Hα-helixtrans-68.2-38.9175.4-44.9-49.2000109.6I17 F21 M136 I181 P183 V186 L220 P222 P223 N227 G228 L229 I245I17-I225 HydrophobicContact CD1-CG1 4.39Å; I17-I225 HydrophobicContact CG1-CG1 4.38Å; I17-I225 HydrophobicContact CG2-CB 4.2Å; I17-I225 HydrophobicContact CG2-CG2 3.86Å; F21-I225 HydrophobicContact CE1-CB 4.28Å; F21-I225 HydrophobicContact CE1-CG2 3.84Å; F21-I225 HydrophobicContact CZ-CG2 3.79Å; M136-I225 HydrophobicContact CE-CG2 4.17Å; I181-I225 HydrophobicContact CG2-CG2 4.08Å; P183-I225 HydrophobicContact CB-CD1 3.83Å; V186-I225 HydrophobicContact CG1-CG1 4.12Å; V186-I225 HydrophobicContact CG2-CD1 3.93Å; V186-I225 HydrophobicContact CG2-CG1 3.97Å; L220-I225 HydrophobicContact CB-CD1 4.36Å; L220-I225 HydrophobicContact CD1-CD1 3.94Å; P222-I225 WeakPolarHBondContact O-CB 3.15Å; P222-I225 PolarHBondContact O-N 2.98Å; P223-I225 VanDerWaalsContact C-N 3.28Å; P223-I225 PolarHBondContact O-N 3.41Å; I225-N227 VanDerWaalsContact C-N 3.32Å; I225-N227 PolarHBondContact O-N 3.24Å; I225-G228 WeakPolarHBondContact O-CA 3.21Å; I225-G228 PolarHBondContact O-N 2.84Å; I225-L229 PolarHBondContact O-N 2.79Å; I225-L229 VanDerWaalsContact O-N 3.09Å; I225-I245 HydrophobicContact CD1-CB 4.05Å; I225-I245 HydrophobicContact CD1-CD1 4.14Å; I225-I245 HydrophobicContact CD1-CG2 3.85Å; I225-I245 HydrophobicContact CG2-CD1 4.22Å
226A98.8Very high97.9Very high2 Ų250.9 Ų50.92%0.01726%0.262CS..Hα-helixtrans-62.4-35.4175.900000113.1A20 F21 A24 P222 P223 L224 G228 L229 I230A20-A226 HydrophobicContact CB-CB 4.36Å; A20-A226 WeakPolarHBondContact O-CB 3.39Å; F21-A226 HydrophobicContact CD1-CB 3.85Å; F21-A226 HydrophobicContact CE1-CB 4.35Å; A24-A226 HydrophobicContact CB-CB 3.69Å; P222-A226 PolarHBondContact O-N 3.45Å; P222-A226 VanDerWaalsContact O-N 3.17Å; P223-A226 WeakPolarHBondContact O-CB 3.41Å; P223-A226 PolarHBondContact O-N 2.93Å; L224-A226 VanDerWaalsContact C-N 3.31Å; A226-G228 VanDerWaalsContact C-N 3.26Å; A226-G228 PolarHBondContact O-N 3.26Å; A226-L229 WeakPolarHBondContact O-CB 3.37Å; A226-L229 PolarHBondContact O-N 3.46Å; A226-L229 VanDerWaalsContact O-N 3.15Å; A226-I230 WeakPolarHBondContact O-CG1 3.37Å; A226-I230 PolarHBondContact O-N 2.94Å
227N98.7Very high98Very high91 Ų9146.4 Ų46.449%0.48726%0.263SS..Hα-helixtrans-60.1-37.4171.1-66.9-19.9000112.3P223 L224 I225 I230 T231 I251P223-N227 PolarHBondContact O-N 3.22Å; L224-N227 PolarHBondContact O-N 3.43Å; I225-N227 VanDerWaalsContact C-N 3.32Å; I225-N227 PolarHBondContact O-N 3.24Å; N227-I230 PolarHBondContact O-N 3.17Å; N227-T231 PolarHBondContact O-N 2.91Å; N227-T231 PolarHBondContact O-OG1 3.31Å; N227-I251 HydrophobicContact CB-CD1 4.1Å
228G98.8Very high98.2Very high0 Ų042.4 Ų42.40%025%0.249CC..Hα-helixtrans-64.3-42.7173.300000112.8L224 I225 A226 I230 T231 L232 M243L224-G228 PolarHBondContact O-N 3.45Å; I225-G228 WeakPolarHBondContact O-CA 3.21Å; I225-G228 PolarHBondContact O-N 2.84Å; A226-G228 VanDerWaalsContact C-N 3.26Å; A226-G228 PolarHBondContact O-N 3.26Å; G228-I230 PolarHBondContact O-N 3.47Å; G228-T231 WeakPolarHBondContact O-CB 3.18Å; G228-T231 PolarHBondContact O-N 2.88Å; G228-L232 PolarHBondContact O-N 2.84Å; G228-M243 WeakPolarHBondContact CA-SD 3.31Å
229L98.9Very high98.3Very high0 Ų043.3 Ų43.30%025%0.247CC..Hα-helixtrans-57.1-50.2173.5172.567.1000111.5F21 L25 V89 I134 I181 I225 A226 T231 L232 I233F21-L229 HydrophobicContact CB-CD2 3.6Å; F21-L229 HydrophobicContact CD1-CB 3.88Å; F21-L229 HydrophobicContact CD1-CD2 3.43Å; F21-L229 VanDerWaalsContact CD1-CD2 3.43Å; F21-L229 HydrophobicContact CD1-CG 4.27Å; F21-L229 HydrophobicContact CD2-CD2 4.17Å; F21-L229 HydrophobicContact CE1-CB 3.69Å; F21-L229 HydrophobicContact CE1-CD2 4.03Å; F21-L229 HydrophobicContact CE1-CG 4.44Å; F21-L229 HydrophobicContact CG-CD2 3.49Å; F21-L229 VanDerWaalsContact CG-CD2 3.49Å; F21-L229 HydrophobicContact CZ-CB 4.36Å; L25-L229 HydrophobicContact CD1-CD2 4.1Å; L25-L229 HydrophobicContact CG-CD2 4.23Å; V89-L229 HydrophobicContact CG2-CD1 3.83Å; V89-L229 HydrophobicContact CG2-CD2 4.14Å; I134-L229 HydrophobicContact CB-CD1 4.01Å; I134-L229 HydrophobicContact CD1-CD1 3.67Å; I134-L229 HydrophobicContact CG1-CD1 3.71Å; I134-L229 HydrophobicContact CG2-CD1 4.08Å; I181-L229 HydrophobicContact CD1-CB 4.14Å; I225-L229 PolarHBondContact O-N 2.79Å; I225-L229 VanDerWaalsContact O-N 3.09Å; A226-L229 WeakPolarHBondContact O-CB 3.37Å; A226-L229 PolarHBondContact O-N 3.46Å; A226-L229 VanDerWaalsContact O-N 3.15Å; L229-T231 VanDerWaalsContact C-N 3.29Å; L229-T231 PolarHBondContact O-N 2.71Å; L229-L232 PolarHBondContact O-N 3.35Å; L229-I233 HydrophobicContact CD1-CD1 3.86Å; L229-I233 HydrophobicContact CD1-CG1 4.34Å; L229-I233 HydrophobicContact CG-CD1 3.8Å; L229-I233 WeakPolarHBondContact O-CD1 3.38Å; L229-I233 WeakPolarHBondContact O-CG1 3.5Å; L229-I233 PolarHBondContact O-N 3.41Å; L229-I233 VanDerWaalsContact O-N 3.12Å
230I98.8Very high98.4Very high13 Ų1340.7 Ų40.77%0.06724%0.239CC..Hα-helixtrans-59.6-41.9178.5-63.8-51.4000111A24 L25 K28 A226 N227 G228 L232 I233 E234A24-I230 HydrophobicContact CB-CD1 4.43Å; A24-I230 HydrophobicContact CB-CG1 4.32Å; L25-I230 HydrophobicContact CD2-CD1 4.2Å; K28-I230 HydrophobicContact CG-CD1 4.07Å; A226-I230 WeakPolarHBondContact O-CG1 3.37Å; A226-I230 PolarHBondContact O-N 2.94Å; N227-I230 PolarHBondContact O-N 3.17Å; G228-I230 PolarHBondContact O-N 3.47Å; I230-L232 PolarHBondContact O-N 3.2Å; I230-I233 HydrophobicContact CD1-CD1 4.44Å; I230-I233 PolarHBondContact O-N 2.85Å; I230-I233 VanDerWaalsContact O-N 3.17Å; I230-E234 HydrophobicContact CG2-CG 4.16Å; I230-E234 WeakPolarHBondContact CG2-OE2 3.26Å; I230-E234 WeakPolarHBondContact O-CB 3.41Å; I230-E234 PolarHBondContact O-N 3.24Å
231T98.8Very high98.4Very high56 Ų5641 Ų4134%0.34424%0.243SC..Hα-helixtrans-57.7-46.3176.4-57.90000111.6N227 G228 L229 I233 E234 D235 M243N227-T231 PolarHBondContact O-N 2.91Å; N227-T231 PolarHBondContact O-OG1 3.31Å; G228-T231 WeakPolarHBondContact O-CB 3.18Å; G228-T231 PolarHBondContact O-N 2.88Å; L229-T231 VanDerWaalsContact C-N 3.29Å; L229-T231 PolarHBondContact O-N 2.71Å; T231-I233 VanDerWaalsContact C-N 3.3Å; T231-I233 PolarHBondContact O-N 2.82Å; T231-E234 PolarHBondContact O-N 2.9Å; T231-D235 WeakPolarHBondContact O-CB 3.42Å; T231-D235 PolarHBondContact O-N 3.23Å; T231-D235 VanDerWaalsContact O-N 3.09Å; T231-M243 HydrophobicContact CG2-CE 4.01Å
232L98.8Very high98.4Very high0 Ų036.1 Ų36.10%022%0.217CC..Hα-helixtrans-62.5-35.8177.6-69.9177.5000112.9I132 I134 R177 N179 I181 G228 L229 I230 L238 A241 M243 F253I132-L232 HydrophobicContact CD1-CB 4.22Å; I132-L232 WeakPolarHBondContact CD1-O 3.23Å; I134-L232 HydrophobicContact CG1-CD1 4.32Å; I134-L232 HydrophobicContact CG2-CD1 3.92Å; R177-L232 PolarHBondContact NH1-O 2.96Å; R177-L232 PolarHBondContact NH2-O 2.83Å; R177-L232 VanDerWaalsContact NH2-O 3.11Å; N179-L232 HydrophobicContact CB-CD1 3.94Å; N179-L232 HydrophobicContact CB-CD2 3.94Å; N179-L232 HydrophobicContact CB-CG 4.45Å; I181-L232 HydrophobicContact CD1-CD1 3.98Å; I181-L232 HydrophobicContact CG1-CD1 3.56Å; G228-L232 PolarHBondContact O-N 2.84Å; L229-L232 PolarHBondContact O-N 3.35Å; I230-L232 PolarHBondContact O-N 3.2Å; L232-L238 HydrophobicContact CD2-CB 4.45Å; L232-L238 HydrophobicContact CD2-CD1 3.78Å; L232-A241 HydrophobicContact CD2-CB 4.42Å; L232-M243 HydrophobicContact CD1-CE 4.44Å; L232-M243 HydrophobicContact CD1-SD 4.38Å; L232-M243 HydrophobicContact CD2-CB 4.48Å; L232-M243 HydrophobicContact CD2-CE 3.65Å; L232-M243 HydrophobicContact CG-CE 3.65Å; L232-M243 HydrophobicContact CG-SD 4.17Å; L232-F253 HydrophobicContact CD2-CE1 4.14Å
233I98.8Very high98.4Very high0 Ų035 Ų350%021%0.21CC..Hα-helixtrans-74.4-44.4-179.6-62.5159.9000111M1 V3 L25 I87 I132 I134 R177 L229 I230 T231M1-I233 HydrophobicContact CG-CG2 3.85Å; M1-I233 VanDerWaalsContact CG-O 3.28Å; M1-I233 WeakPolarHBondContact CG-O 3.34Å; M1-I233 PolarHBondContact N-O 2.93Å; M1-I233 HydrophobicContact SD-CG2 4.33Å; V3-I233 HydrophobicContact CG2-CB 4.37Å; V3-I233 HydrophobicContact CG2-CG2 3.75Å; L25-I233 HydrophobicContact CD2-CD1 3.72Å; I87-I233 HydrophobicContact CD1-CD1 4.08Å; I87-I233 HydrophobicContact CD1-CG2 4.04Å; I87-I233 HydrophobicContact CG1-CG2 4.41Å; I87-I233 HydrophobicContact CG2-CD1 4.11Å; I87-I233 HydrophobicContact CG2-CG1 4.47Å; I132-I233 HydrophobicContact CD1-CG1 4.21Å; I132-I233 HydrophobicContact CG2-CG1 4.08Å; I132-I233 HydrophobicContact CG2-CG2 4.45Å; I134-I233 HydrophobicContact CD1-CG1 4.19Å; R177-I233 PolarHBondContact NH2-O 3.05Å; L229-I233 HydrophobicContact CD1-CD1 3.86Å; L229-I233 HydrophobicContact CD1-CG1 4.34Å; L229-I233 HydrophobicContact CG-CD1 3.8Å; L229-I233 WeakPolarHBondContact O-CD1 3.38Å; L229-I233 WeakPolarHBondContact O-CG1 3.5Å; L229-I233 PolarHBondContact O-N 3.41Å; L229-I233 VanDerWaalsContact O-N 3.12Å; I230-I233 HydrophobicContact CD1-CD1 4.44Å; I230-I233 PolarHBondContact O-N 2.85Å; I230-I233 VanDerWaalsContact O-N 3.17Å; T231-I233 VanDerWaalsContact C-N 3.3Å; T231-I233 PolarHBondContact O-N 2.82Å
234E98.5Very high98.5Very high77 Ų7733.1 Ų33.136%0.3619%0.194SC..Hα-helixtrans-75.2-32-173.6-69.8-176.8157.100112.4M1 V3 K28 I230 T231 D236M1-E234 PolarHBondContact N-O 3.4Å; M1-E234 WeakPolarHBondContact O-CA 3.39Å; V3-E234 HydrophobicContact CG2-CG 3.9Å; K28-E234 IonicContact NZ-OE1 2.82Å; K28-E234 PolarHBondContact NZ-OE1 3.26Å; K28-E234 IonicContact NZ-OE2 3.86Å; K28-E234 PolarHBondContact NZ-OE2 3.03Å; K28-E234 VanDerWaalsContact NZ-OE2 3.15Å; I230-E234 HydrophobicContact CG2-CG 4.16Å; I230-E234 WeakPolarHBondContact CG2-OE2 3.26Å; I230-E234 WeakPolarHBondContact O-CB 3.41Å; I230-E234 PolarHBondContact O-N 3.24Å; T231-E234 PolarHBondContact O-N 2.9Å; E234-D236 PolarHBondContact O-N 3.02Å
235D98.3Very high98.5Very high71 Ų7130.4 Ų30.438%0.3818%0.18SC..  trans-85.7109.4176.1-169.2-18.1000112.4R177 T231 A237 L238R177-D235 VanDerWaalsContact CZ-O 3.26Å; R177-D235 PolarHBondContact NH1-O 2.92Å; R177-D235 VanDerWaalsContact NH1-O 3.08Å; R177-D235 PolarHBondContact NH2-O 3.46Å; T231-D235 WeakPolarHBondContact O-CB 3.42Å; T231-D235 PolarHBondContact O-N 3.23Å; T231-D235 VanDerWaalsContact O-N 3.09Å; D235-A237 VanDerWaalsContact C-N 3.3Å; D235-A237 PolarHBondContact O-N 2.98Å; D235-A237 WeakPolarHBondContact OD1-CB 3.49Å; D235-A237 PolarHBondContact OD1-N 3.05Å; D235-L238 HydrophobicContact CB-CD1 3.77Å; D235-L238 HydrophobicContact CB-CG 3.93Å
236D96.7Very high98.5Very high97 Ų9731.3 Ų31.352%0.51919%0.185SC..THydrogen-bonded Turntrans-75.9-13.8-179-71-40.9000114.1M1 R177 E234 L238M1-D236 PolarHBondContact N-OD1 3.27Å; M1-D236 PolarHBondContact N-OD2 3.19Å; R177-D236 WeakPolarHBondContact CD-O 3.47Å; R177-D236 IonicContact NE-OD1 2.8Å; R177-D236 IonicContact NH2-OD1 3.73Å; E234-D236 PolarHBondContact O-N 3.02Å; D236-L238 VanDerWaalsContact C-N 3.29Å
237A97.3Very high98.4Very high88 Ų8834.5 Ų34.573%0.72721%0.205SC*.THydrogen-bonded Turntrans-76.6-18.3176.500000112.6D235 N239D235-A237 VanDerWaalsContact C-N 3.3Å; D235-A237 PolarHBondContact O-N 2.98Å; D235-A237 WeakPolarHBondContact OD1-CB 3.49Å; D235-A237 PolarHBondContact OD1-N 3.05Å; A237-N239 PolarHBondContact O-N 3.16Å
238L98.2Very high98.2Very high28 Ų2834.6 Ų34.615%0.14721%0.213CC..  trans-83.3101.8-174-60.2-179.7000111.8R177 N179 L232 D235 D236 A241 F253R177-L238 WeakPolarHBondContact CD-O 3.48Å; R177-L238 PolarHBondContact NH1-O 3.03Å; N179-L238 PolarHBondContact ND2-O 3.26Å; N179-L238 PolarHBondContact OD1-O 3.21Å; L232-L238 HydrophobicContact CD2-CB 4.45Å; L232-L238 HydrophobicContact CD2-CD1 3.78Å; D235-L238 HydrophobicContact CB-CD1 3.77Å; D235-L238 HydrophobicContact CB-CG 3.93Å; D236-L238 VanDerWaalsContact C-N 3.29Å; L238-A241 HydrophobicContact CB-CB 4.2Å; L238-A241 HydrophobicContact CD2-CB 4.14Å; L238-F253 HydrophobicContact CD1-CE1 4.13Å; L238-F253 HydrophobicContact CD1-CZ 3.79Å; L238-F253 HydrophobicContact CD2-CE1 4.39Å; L238-F253 HydrophobicContact CD2-CZ 4.31Å
239N98.4Very high98.2Very high44 Ų4441.7 Ų41.724%0.23524%0.244CC..SBendtrans-132.9127.4166.5-174.431.1000109.6A166 N170 R177 L178 N179 A237 A241A166-N239 VanDerWaalsContact CB-OD1 3.31Å; A166-N239 WeakPolarHBondContact CB-OD1 3.38Å; A166-N239 PolarHBondContact O-ND2 2.95Å; A166-N239 VanDerWaalsContact O-ND2 3.1Å; N170-N239 PolarHBondContact OD1-ND2 3.29Å; R177-N239 WeakPolarHBondContact CA-OD1 3.36Å; R177-N239 HydrophobicContact CB-CB 4.33Å; R177-N239 HydrophobicContact CG-CB 4.23Å; L178-N239 PolarHBondContact N-OD1 2.66Å; N179-N239 WeakPolarHBondContact OD1-CA 3.4Å; A237-N239 PolarHBondContact O-N 3.16Å; N239-A241 VanDerWaalsContact C-N 3.28Å
240G98.3Very high98.1Very high20 Ų2042.9 Ų42.921%0.20626%0.255CS..SBendtrans78.110.7-173.300000114.1L178 N179L178-G240 VanDerWaalsContact O-CA 3.3Å; L178-G240 WeakPolarHBondContact O-CA 3.15Å; L178-G240 PolarHBondContact O-N 3.35Å; N179-G240 PolarHBondContact OD1-N 2.7Å; N179-G240 VanDerWaalsContact OD1-N 3.16Å
241A98.6Very high98.1Very high16 Ų1645 Ų4513%0.13227%0.266CS..  trans-70.6135-179.800000111N179 A180 L232 L238 N239 F253N179-A241 WeakPolarHBondContact CA-O 3.39Å; N179-A241 VanDerWaalsContact OD1-CB 3.29Å; N179-A241 WeakPolarHBondContact OD1-CB 3.42Å; N179-A241 PolarHBondContact OD1-N 3.49Å; A180-A241 PolarHBondContact N-O 3.5Å; L232-A241 HydrophobicContact CD2-CB 4.42Å; L238-A241 HydrophobicContact CB-CB 4.2Å; L238-A241 HydrophobicContact CD2-CB 4.14Å; N239-A241 VanDerWaalsContact C-N 3.28Å; A241-F253 HydrophobicContact CB-CD1 3.96Å; A241-F253 HydrophobicContact CB-CE1 3.88Å
242I98.8Very high98.1Very high3 Ų344.2 Ų44.22%0.01526%0.259CS..EExtended strand (participates in β ladder)trans-109.992.5174.3-53.1-55.7000107.7L142 V159 R163 A180 C182 F253 Q254 Y256L142-I242 HydrophobicContact CD1-CG2 4.25Å; L142-I242 HydrophobicContact CD2-CG2 4.3Å; V159-I242 HydrophobicContact CG1-CD1 4.27Å; V159-I242 HydrophobicContact CG1-CG1 4.35Å; R163-I242 HydrophobicContact CG-CD1 3.64Å; R163-I242 HydrophobicContact CG-CG1 3.86Å; A180-I242 HydrophobicContact CB-CD1 3.9Å; C182-I242 VanDerWaalsContact SG-CG2 3.54Å; I242-F253 WeakPolarHBondContact O-CA 3.46Å; I242-Q254 HydrophobicContact CB-CB 4.02Å; I242-Q254 HydrophobicContact CG2-CB 4.05Å; I242-Q254 PolarHBondContact O-N 3.31Å; I242-Y256 HydrophobicContact CB-CE2 4.13Å; I242-Y256 HydrophobicContact CG1-CE2 3.69Å
243M98.8Very high98.1Very high0 Ų048.2 Ų48.20%028%0.276CS..EExtended strand (participates in β ladder)trans-79.4127.8-177.7179.3178-77.800110A180 I181 C182 G228 T231 L232 I245 I251 H252 F253A180-M243 PolarHBondContact O-N 2.98Å; I181-M243 CarbonylContact C-O 3.45Å; I181-M243 WeakPolarHBondContact CA-O 3.25Å; I181-M243 HydrophobicContact CG1-SD 4.44Å; C182-M243 WeakPolarHBondContact CA-O 3.27Å; C182-M243 WeakPolarHBondContact CB-O 3.34Å; C182-M243 PolarHBondContact N-O 3.16Å; G228-M243 WeakPolarHBondContact CA-SD 3.31Å; T231-M243 HydrophobicContact CG2-CE 4.01Å; L232-M243 HydrophobicContact CD1-CE 4.44Å; L232-M243 HydrophobicContact CD1-SD 4.38Å; L232-M243 HydrophobicContact CD2-CB 4.48Å; L232-M243 HydrophobicContact CD2-CE 3.65Å; L232-M243 HydrophobicContact CG-CE 3.65Å; L232-M243 HydrophobicContact CG-SD 4.17Å; M243-I245 HydrophobicContact CG-CG1 4.15Å; M243-I245 HydrophobicContact SD-CD1 4.16Å; M243-I245 HydrophobicContact SD-CG1 4.36Å; M243-I251 HydrophobicContact CE-CG2 3.63Å; M243-I251 HydrophobicContact CG-CG2 3.98Å; M243-I251 HydrophobicContact SD-CG2 3.72Å; M243-H252 CarbonylContact C-O 3.55Å; M243-F253 HydrophobicContact CB-CD1 4.04Å; M243-F253 HydrophobicContact CB-CE1 3.82Å; M243-F253 HydrophobicContact CE-CE1 3.67Å; M243-F253 HydrophobicContact CE-CE2 4.43Å; M243-F253 HydrophobicContact CE-CZ 3.45Å; M243-F253 VanDerWaalsContact CE-CZ 3.45Å; M243-F253 HydrophobicContact CG-CE1 4.23Å
244K98.8Very high98.1Very high33 Ų3351.3 Ų51.314%0.14329%0.291CS..EExtended strand (participates in β ladder)trans-102.8141170.1-68.3174.5-69.6-1760109.6L139 L142 C182 H252 F253 Q254L139-K244 HydrophobicContact CD2-CB 4.39Å; L139-K244 HydrophobicContact CD2-CD 4.12Å; L139-K244 HydrophobicContact CD2-CG 4Å; L142-K244 HydrophobicContact CD1-CD 3.84Å; L142-K244 HydrophobicContact CD1-CG 3.87Å; C182-K244 HydrophobicContact CB-CG 4.21Å; C182-K244 WeakPolarHBondContact O-CA 3.49Å; K244-H252 VanDerWaalsContact CB-CE1 3.42Å; K244-H252 WeakPolarHBondContact CB-CE1 3.48Å; K244-H252 VanDerWaalsContact CE-CD2 3.42Å; K244-H252 WeakPolarHBondContact CE-CD2 3.36Å; K244-H252 WeakPolarHBondContact CE-NE2 3.36Å; K244-H252 PolarHBondContact N-O 3.38Å; K244-H252 PolarHBondContact O-N 2.89Å; K244-H252 PolarHBondContact O-ND1 3.05Å; K244-F253 VanDerWaalsContact CE-C 3.48Å; K244-F253 VanDerWaalsContact CE-O 3.31Å; K244-F253 WeakPolarHBondContact CE-O 3.28Å; K244-F253 PolarHBondContact NZ-O 3.26Å; K244-Q254 HydrophobicContact CD-CB 4.44Å
245I98.7Very high97.9Very high0 Ų053.9 Ų53.90%031%0.307CS..EExtended strand (participates in β ladder)trans-129.2118.3174.3-49.8-178.6000108.1I181 C182 P183 G184 L220 L224 I225 M243 G250 I251I181-I245 HydrophobicContact CG2-CD1 3.69Å; I181-I245 HydrophobicContact CG2-CG1 4.11Å; C182-I245 PolarHBondContact O-N 3.16Å; P183-I245 CarbonylContact C-O 3.53Å; G184-I245 PolarHBondContact N-O 3.28Å; L220-I245 HydrophobicContact CD1-CB 4.48Å; L220-I245 HydrophobicContact CD1-CG2 4.05Å; L220-I245 VanDerWaalsContact CD1-O 3.31Å; L220-I245 WeakPolarHBondContact CD1-O 3.45Å; L224-I245 HydrophobicContact CD2-CG2 3.89Å; L224-I245 HydrophobicContact CG-CG2 4Å; I225-I245 HydrophobicContact CD1-CB 4.05Å; I225-I245 HydrophobicContact CD1-CD1 4.14Å; I225-I245 HydrophobicContact CD1-CG2 3.85Å; I225-I245 HydrophobicContact CG2-CD1 4.22Å; M243-I245 HydrophobicContact CG-CG1 4.15Å; M243-I245 HydrophobicContact SD-CD1 4.16Å; M243-I245 HydrophobicContact SD-CG1 4.36Å; I245-G250 WeakPolarHBondContact CA-O 3.42Å; I245-I251 HydrophobicContact CD1-CG1 4.11Å; I245-I251 HydrophobicContact CG1-CG1 4.07Å; I245-I251 HydrophobicContact CG2-CG1 4.33Å
246T98.4Very high97.5Very high18 Ų1853.9 Ų53.911%0.1130%0.302CS..EExtended strand (participates in β ladder)trans-136.8154.6-173.957.90000110.4L139 S248 K249 G250 H252L139-T246 HydrophobicContact CD1-CG2 3.93Å; L139-T246 HydrophobicContact CD2-CG2 4.48Å; T246-S248 PolarHBondContact O-N 3.32Å; T246-S248 PolarHBondContact OG1-OG 3.46Å; T246-K249 PolarHBondContact OG1-N 3.17Å; T246-K249 VanDerWaalsContact OG1-N 3.16Å; T246-G250 PolarHBondContact N-O 2.92Å; T246-G250 VanDerWaalsContact N-O 3.16Å; T246-G250 VanDerWaalsContact O-CA 3.24Å; T246-G250 WeakPolarHBondContact O-CA 3.39Å; T246-G250 PolarHBondContact O-N 3.35Å; T246-H252 PolarHBondContact OG1-CE1 3.28Å
247T96.9Very high96.7Very high69 Ų6956.4 Ų56.442%0.42332%0.315SS..THydrogen-bonded Turntrans-58.4-35.2171.6470000112.4Y217 L220Y217-T247 VanDerWaalsContact O-CB 3.25Å; Y217-T247 WeakPolarHBondContact O-CB 3.47Å; Y217-T247 WeakPolarHBondContact O-CG2 3.45Å; Y217-T247 PolarHBondContact O-OG1 3.45Å; L220-T247 HydrophobicContact CD2-CG2 3.72Å; L220-T247 HydrophobicContact CG-CG2 4.16Å
248S95.4Very high94.8Very high94 Ų9458.8 Ų58.866%0.65732%0.321SS*.THydrogen-bonded Turntrans-79.2-34.4-174.857.90000114.6T246T246-S248 PolarHBondContact O-N 3.32Å; T246-S248 PolarHBondContact OG1-OG 3.46Å
249K97.6Very high92.8Very high149 Ų14961.5 Ų61.565%0.64834%0.339SS*.THydrogen-bonded Turntrans-121.6-2.7-174.6-66.3-175177.1-176.90114.7T246T246-K249 PolarHBondContact OG1-N 3.17Å; T246-K249 VanDerWaalsContact OG1-N 3.16Å
250G98.2Very high90.6Very high24 Ų2465.2 Ų65.225%0.24737%0.366CS..EExtended strand (participates in β ladder)trans57.6-140.9-168.400000111.2I245 T246 H252I245-G250 WeakPolarHBondContact CA-O 3.42Å; T246-G250 PolarHBondContact N-O 2.92Å; T246-G250 VanDerWaalsContact N-O 3.16Å; T246-G250 VanDerWaalsContact O-CA 3.24Å; T246-G250 WeakPolarHBondContact O-CA 3.39Å; T246-G250 PolarHBondContact O-N 3.35Å; G250-H252 PolarHBondContact O-ND1 3.16Å; G250-H252 VanDerWaalsContact O-ND1 3.15Å
251I98.6Very high88.5Confident58 Ų5872.5 Ų72.530%0.29739%0.392SS..EExtended strand (participates in β ladder)trans-76.9122.2177.1-63.1163.9000109.6N227 M243 I245N227-I251 HydrophobicContact CB-CD1 4.1Å; M243-I251 HydrophobicContact CE-CG2 3.63Å; M243-I251 HydrophobicContact CG-CG2 3.98Å; M243-I251 HydrophobicContact SD-CG2 3.72Å; I245-I251 HydrophobicContact CD1-CG1 4.11Å; I245-I251 HydrophobicContact CG1-CG1 4.07Å; I245-I251 HydrophobicContact CG2-CG1 4.33Å
252H98.4Very high85.9Confident40 Ų4080.5 Ų80.519%0.18543%0.427CS..EExtended strand (participates in β ladder)trans-152.4176.8173.864.5-68.5000109.7M243 K244 T246 G250M243-H252 CarbonylContact C-O 3.55Å; K244-H252 VanDerWaalsContact CB-CE1 3.42Å; K244-H252 WeakPolarHBondContact CB-CE1 3.48Å; K244-H252 VanDerWaalsContact CE-CD2 3.42Å; K244-H252 WeakPolarHBondContact CE-CD2 3.36Å; K244-H252 WeakPolarHBondContact CE-NE2 3.36Å; K244-H252 PolarHBondContact N-O 3.38Å; K244-H252 PolarHBondContact O-N 2.89Å; K244-H252 PolarHBondContact O-ND1 3.05Å; T246-H252 PolarHBondContact OG1-CE1 3.28Å; G250-H252 PolarHBondContact O-ND1 3.16Å; G250-H252 VanDerWaalsContact O-ND1 3.15Å
253F98.4Very high83.5Confident84 Ų8485 Ų8537%0.36847%0.465SS..EExtended strand (participates in β ladder)trans-115.9152.8-176.2-63.4-87000112.3L232 L238 A241 I242 M243 K244L232-F253 HydrophobicContact CD2-CE1 4.14Å; L238-F253 HydrophobicContact CD1-CE1 4.13Å; L238-F253 HydrophobicContact CD1-CZ 3.79Å; L238-F253 HydrophobicContact CD2-CE1 4.39Å; L238-F253 HydrophobicContact CD2-CZ 4.31Å; A241-F253 HydrophobicContact CB-CD1 3.96Å; A241-F253 HydrophobicContact CB-CE1 3.88Å; I242-F253 WeakPolarHBondContact O-CA 3.46Å; M243-F253 HydrophobicContact CB-CD1 4.04Å; M243-F253 HydrophobicContact CB-CE1 3.82Å; M243-F253 HydrophobicContact CE-CE1 3.67Å; M243-F253 HydrophobicContact CE-CE2 4.43Å; M243-F253 HydrophobicContact CE-CZ 3.45Å; M243-F253 VanDerWaalsContact CE-CZ 3.45Å; M243-F253 HydrophobicContact CG-CE1 4.23Å; K244-F253 VanDerWaalsContact CE-C 3.48Å; K244-F253 VanDerWaalsContact CE-O 3.31Å; K244-F253 WeakPolarHBondContact CE-O 3.28Å; K244-F253 PolarHBondContact NZ-O 3.26Å
254Q97.9Very high80.7Confident64 Ų6494.5 Ų94.530%0.29951%0.506SS..  trans-75.1123.8166-178.160.326.400108.2L142 I242 K244 Y256L142-Q254 HydrophobicContact CD1-CB 4.41Å; L142-Q254 HydrophobicContact CD1-CG 4.47Å; L142-Q254 HydrophobicContact CD2-CG 4.48Å; I242-Q254 HydrophobicContact CB-CB 4.02Å; I242-Q254 HydrophobicContact CG2-CB 4.05Å; I242-Q254 PolarHBondContact O-N 3.31Å; K244-Q254 HydrophobicContact CD-CB 4.44Å; Q254-Y256 HydrophobicContact CB-CE2 4.07Å; Q254-Y256 HydrophobicContact CG-CD2 4.23Å; Q254-Y256 HydrophobicContact CG-CE1 4.05Å; Q254-Y256 HydrophobicContact CG-CE2 3.68Å
255D94.6Very high78Confident131 Ų13198.6 Ų98.670%0.70154%0.538SS*.  trans-83.9135.8170.4-158.1-8.6000108.9
256Y90.2Very high75.2Confident72 Ų72111.4 Ų111.428%0.28260%0.598SS.*  trans-122.8118.6171.9-67.5-78.4000105.9V159 R163 I242 Q254V159-Y256 VanDerWaalsContact CG1-OH 3.3Å; V159-Y256 WeakPolarHBondContact CG1-OH 3.42Å; R163-Y256 VanDerWaalsContact NH2-CG 3.29Å; I242-Y256 HydrophobicContact CB-CE2 4.13Å; I242-Y256 HydrophobicContact CG1-CE2 3.69Å; Q254-Y256 HydrophobicContact CB-CE2 4.07Å; Q254-Y256 HydrophobicContact CG-CD2 4.23Å; Q254-Y256 HydrophobicContact CG-CE1 4.05Å; Q254-Y256 HydrophobicContact CG-CE2 3.68Å
257D79.3Confident74.1Confident149 Ų149116.1 Ų116.180%0.79762%0.623SS**PPolyproline II helixtrans-49.3146.3170.8-64.5-42.5000109.7T259D257-T259 PolarHBondContact O-N 2.79Å
258T58.8Low72.9Confident138 Ų138118.5 Ų118.585%0.84763%0.633SS**PPolyproline II helixtrans-47.1122.8174.443.80000108.9
259T55.2Low71.6Confident86 Ų86119.9 Ų119.953%0.52863%0.632SS.*PPolyproline II helixtrans-47.1140-176.536.60000110.8D257 F261D257-T259 PolarHBondContact O-N 2.79Å; T259-F261 CarbonylContact O-C 3.41Å; T259-F261 PolarHBondContact O-N 2.82Å
260P51.8Low70.1Confident122 Ų122118.2 Ų118.279%0.79263%0.631SS**SBendtrans-61.8-13.9178.624.6-33.2000112.7Q262P260-Q262 PolarHBondContact O-N 3.04Å
261F54.4Low68.3Low173 Ų173124.1 Ų124.176%0.75966%0.655SS**  trans-8592.2170.9-53-70.5000109.7T259 A263T259-F261 CarbonylContact O-C 3.41Å; T259-F261 PolarHBondContact O-N 2.82Å; F261-A263 PolarHBondContact O-N 3.06Å
262Q44.7Very low66.3Low184 Ų184128.5 Ų128.586%0.8668%0.678SS**  trans-63.9116.8162-74.3-178.5-14.100108.1P260 K264P260-Q262 PolarHBondContact O-N 3.04Å; Q262-K264 PolarHBondContact O-N 2.72Å; Q262-K264 VanDerWaalsContact O-N 3.1Å
263A48.3Very low64Low98 Ų98134.8 Ų134.881%0.8171%0.714SS**  trans-60.9115.2168.300000107.8F261 S265F261-A263 PolarHBondContact O-N 3.06Å; A263-S265 PolarHBondContact O-N 3.44Å
264K40.4Very low61.4Low199 Ų199138.7 Ų138.787%0.86574%0.74SS**  trans-63110.6164.9-77.7-175176.6-1790106.3Q262 Q266Q262-K264 PolarHBondContact O-N 2.72Å; Q262-K264 VanDerWaalsContact O-N 3.1Å; K264-Q266 PolarHBondContact O-N 2.83Å; K264-Q266 VanDerWaalsContact O-N 3.16Å
265S41.7Very low58.3Low119 Ų119144.9 Ų144.983%0.83278%0.777SS**  trans-52.5118.2165.451.20000108.4A263A263-S265 PolarHBondContact O-N 3.44Å
266Q41Very low55.1Low268 Ų268146.2 Ų146.2100%1.25278%0.784SS**  trans-103.10158.7-76.5-168.2-6.600108.1K264K264-Q266 PolarHBondContact O-N 2.83Å; K264-Q266 VanDerWaalsContact O-N 3.16Å

Retrieved 266 of 266 residues in 209.5 ms (Link to these results)

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