A0A061IQZ6_CRIGR Loading...

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 A0A061IQZ6, Species CRIGR (Cricetulus griseus, Chinese hamster), 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
1M90.8Very high97.3Very high40 Ų4038.4 Ų38.420%0.19721%0.209CC..  0146.1061.1164.760.600109.5V132 I233 E234 D236M1-V132 HydrophobicContact SD-CG1 4.38Å; M1-I233 HydrophobicContact CG-CG2 3.86Å; M1-I233 VanDerWaalsContact CG-O 3.31Å; M1-I233 WeakPolarHBondContact CG-O 3.46Å; M1-I233 PolarHBondContact N-O 2.84Å; M1-I233 HydrophobicContact SD-CG2 4.32Å; M1-E234 PolarHBondContact N-O 3.32Å; M1-E234 WeakPolarHBondContact O-CA 3.45Å; M1-D236 PolarHBondContact N-OD1 3.03Å; M1-D236 PolarHBondContact N-OD2 3.43Å
2H93.4Very high97.4Very high164 Ų16436.3 Ų36.376%0.75920%0.204SC*.  trans-72.8136.2174.9-64.3-63.3000111.5K6H2-K6 WeakPolarHBondContact O-CG 3.46Å
3V97.1Very high97.5Very high1 Ų133.5 Ų33.51%0.00619%0.188CC..  trans-74.8-30.9-178-179.90000112.6G5 K6 L25 H28 A30 I230 I233 E234V3-G5 PolarHBondContact O-N 3.49Å; V3-K6 WeakPolarHBondContact O-CB 3.22Å; V3-K6 WeakPolarHBondContact O-CG 3.19Å; V3-K6 PolarHBondContact O-N 3.42Å; V3-L25 HydrophobicContact CG1-CD2 4.04Å; V3-H28 HydrophobicContact CB-CB 3.77Å; V3-H28 HydrophobicContact CG1-CB 3.54Å; V3-H28 HydrophobicContact CG2-CB 4.37Å; V3-A30 HydrophobicContact CG1-CB 3.82Å; V3-I230 HydrophobicContact CG2-CD1 4.45Å; V3-I233 HydrophobicContact CG2-CB 4.37Å; V3-I233 HydrophobicContact CG2-CG2 3.73Å; V3-E234 HydrophobicContact CG2-CG 3.86Å
4N97.9Very high97.5Very high124 Ų12431.5 Ų31.566%0.66318%0.178SC*.THydrogen-bonded Turntrans-58.3128.7-176.4-17633.4000112K6 H28 G29N4-K6 PolarHBondContact O-N 2.85Å; N4-H28 WeakPolarHBondContact CA-O 3.47Å; N4-H28 PolarHBondContact N-O 3.12Å; N4-G29 PolarHBondContact OD1-O 2.69Å
5G97.3Very high97.6Very high44 Ų4435.1 Ų35.145%0.45419%0.193SC..THydrogen-bonded Turntrans77.7-2.7-178.700000115.3V3 G29V3-G5 PolarHBondContact O-N 3.49Å; G5-G29 PolarHBondContact N-O 2.93Å
6K98.6Very high97.6Very high44 Ų4434.3 Ų34.319%0.19120%0.195CC..  trans-75.4153.9176.5-62.5-59.2-165.9173.30112.1H2 V3 N4 A30 K31 D86 I87H2-K6 WeakPolarHBondContact O-CG 3.46Å; V3-K6 WeakPolarHBondContact O-CB 3.22Å; V3-K6 WeakPolarHBondContact O-CG 3.19Å; V3-K6 PolarHBondContact O-N 3.42Å; N4-K6 PolarHBondContact O-N 2.85Å; K6-A30 CarbonylContact O-C 3.59Å; K6-A30 VanDerWaalsContact O-CA 3.26Å; K6-A30 WeakPolarHBondContact O-CA 3.44Å; K6-A30 WeakPolarHBondContact O-CB 3.22Å; K6-K31 PolarHBondContact O-N 3.45Å; K6-D86 HydrophobicContact CB-CB 4.05Å; K6-D86 HydrophobicContact CD-CB 3.8Å; K6-D86 VanDerWaalsContact CD-CG 3.47Å; K6-D86 WeakPolarHBondContact CD-OD1 3.38Å; K6-D86 HydrophobicContact CG-CB 4.4Å; K6-D86 IonicContact NZ-OD1 3.28Å; K6-D86 PolarHBondContact NZ-OD1 2.93Å; K6-I87 HydrophobicContact CB-CD1 3.87Å
7V98.9Very high97.7Very high2 Ų233.6 Ų33.61%0.01219%0.19CC..EExtended strand (participates in β ladder)trans-104.8121.8174.6-179.10000110K31 V78 F82 R84 D86 I87V7-K31 WeakPolarHBondContact CA-O 3.48Å; V7-K31 HydrophobicContact CG2-CB 4.41Å; V7-V78 HydrophobicContact CG1-CG1 4.38Å; V7-F82 HydrophobicContact CB-CB 4.38Å; V7-F82 HydrophobicContact CG1-CB 3.73Å; V7-F82 HydrophobicContact CG1-CD2 3.56Å; V7-F82 HydrophobicContact CG1-CE2 4.4Å; V7-F82 HydrophobicContact CG1-CG 3.87Å; V7-F82 HydrophobicContact CG2-CB 3.71Å; V7-F82 HydrophobicContact CG2-CG 4.25Å; V7-R84 HydrophobicContact CB-CG 4.07Å; V7-R84 WeakPolarHBondContact CB-O 3.33Å; V7-R84 WeakPolarHBondContact CG1-O 3.15Å; V7-R84 HydrophobicContact CG2-CG 3.48Å; V7-R84 VanDerWaalsContact CG2-CG 3.48Å; V7-D86 PolarHBondContact N-OD2 2.74Å; V7-D86 PolarHBondContact O-N 2.99Å; V7-I87 PolarHBondContact O-N 3.05Å
8A98.9Very high97.7Very high0 Ų031.8 Ų31.80%018%0.18CC..EExtended strand (participates in β ladder)trans-110.8137.3178.200000112L25 K31 V32 A33 I87A8-L25 HydrophobicContact CB-CD1 3.67Å; A8-L25 HydrophobicContact CB-CD2 4.38Å; A8-K31 PolarHBondContact N-O 3.05Å; A8-V32 HydrophobicContact CB-CG2 4.44Å; A8-V32 CarbonylContact O-C 3.6Å; A8-V32 WeakPolarHBondContact O-CA 3.45Å; A8-A33 PolarHBondContact O-N 3.32Å; A8-I87 CarbonylContact C-O 3.46Å; A8-I87 VanDerWaalsContact CA-O 3.24Å; A8-I87 WeakPolarHBondContact CA-O 3.46Å; A8-I87 HydrophobicContact CB-CB 3.84Å; A8-I87 HydrophobicContact CB-CD1 4.38Å; A8-I87 HydrophobicContact CB-CG2 4.07Å
9L98.9Very high97.8Very high0 Ų034.6 Ų34.60%019%0.187CC..EExtended strand (participates in β ladder)trans-108.4120.4165.9-171.2166.6000108.1T11 A33 V35 F75 V78 L85 I87 L88 V89L9-T11 HydrophobicContact CD2-CG2 3.73Å; L9-A33 HydrophobicContact CG-CB 4.4Å; L9-V35 HydrophobicContact CD1-CG2 4.48Å; L9-V35 HydrophobicContact CD2-CB 4.3Å; L9-V35 HydrophobicContact CD2-CG2 3.73Å; L9-V35 HydrophobicContact CG-CG2 3.88Å; L9-F75 HydrophobicContact CD1-CD1 4.18Å; L9-F75 HydrophobicContact CD1-CD2 3.97Å; L9-F75 HydrophobicContact CD1-CE1 4.19Å; L9-F75 HydrophobicContact CD1-CE2 4Å; L9-F75 HydrophobicContact CD1-CG 4.09Å; L9-F75 HydrophobicContact CD1-CZ 4.12Å; L9-V78 HydrophobicContact CD1-CB 4.3Å; L9-V78 HydrophobicContact CD1-CG1 4.38Å; L9-V78 HydrophobicContact CD1-CG2 3.92Å; L9-V78 HydrophobicContact CG-CG2 4.35Å; L9-L85 HydrophobicContact CB-CD1 3.77Å; L9-I87 PolarHBondContact N-O 3.24Å; L9-L88 HydrophobicContact CB-CD1 4.25Å; L9-L88 HydrophobicContact CD2-CD1 3.78Å; L9-L88 HydrophobicContact CG-CD1 4.45Å; L9-V89 PolarHBondContact O-N 2.77Å
10V98.9Very high97.8Very high0 Ų033.3 Ų33.30%018%0.181CC..EExtended strand (participates in β ladder)trans-117.6119179.1-175.60000109.1A13 F21 L25 V32 A33 V35 V89V10-A13 HydrophobicContact CB-CB 3.99Å; V10-A13 HydrophobicContact CG1-CB 3.91Å; V10-A13 WeakPolarHBondContact O-CB 3.32Å; V10-F21 HydrophobicContact CG1-CB 4.22Å; V10-F21 HydrophobicContact CG1-CD2 4.44Å; V10-L25 HydrophobicContact CG2-CD1 3.76Å; V10-V32 HydrophobicContact CG2-CG1 4.02Å; V10-A33 PolarHBondContact N-O 3.36Å; V10-V35 WeakPolarHBondContact O-CB 3.39Å; V10-V35 PolarHBondContact O-N 3.4Å; V10-V89 HydrophobicContact CB-CB 4.45Å; V10-V89 HydrophobicContact CG1-CB 4.23Å; V10-V89 HydrophobicContact CG2-CB 4.15Å; V10-V89 HydrophobicContact CG2-CG2 4.13Å
11T98.9Very high97.9Very high3 Ų331.7 Ų31.72%0.01817%0.173CC..EExtended strand (participates in β ladder)trans-86.7145.6174.269.20000111.4L9 A13 V35 V65 V89 N91 A92L9-T11 HydrophobicContact CD2-CG2 3.73Å; T11-A13 VanDerWaalsContact C-N 3.29Å; T11-V35 CarbonylContact C-O 3.44Å; T11-V35 WeakPolarHBondContact CA-O 3.49Å; T11-V35 HydrophobicContact CG2-CB 4.41Å; T11-V35 HydrophobicContact CG2-CG1 4.4Å; T11-V65 HydrophobicContact CG2-CG1 4.01Å; T11-V89 PolarHBondContact N-O 3.37Å; T11-V89 PolarHBondContact OG1-O 2.94Å; T11-N91 CarbonylContact O-C 3.56Å; T11-N91 WeakPolarHBondContact O-CB 3.31Å; T11-N91 PolarHBondContact O-ND2 2.95Å; T11-N91 PolarHBondContact OG1-N 3.3Å; T11-A92 PolarHBondContact O-N 3.09Å; T11-A92 PolarHBondContact OG1-N 3.21Å
12G98.7Very high98.3Very high14 Ų1429.8 Ų29.814%0.14416%0.163CC..THydrogen-bonded Turntrans65.633.4-172.900000112.4A14 G18 V35 D36 N91G12-A14 VanDerWaalsContact C-N 3.34Å; G12-G18 WeakPolarHBondContact O-CA 3.26Å; G12-V35 PolarHBondContact N-O 3.3Å; G12-D36 WeakPolarHBondContact CA-OD2 3.28Å; G12-N91 PolarHBondContact O-ND2 3.47Å
13A98.6Very high98.5Very high0 Ų024.5 Ų24.50%014%0.139CC..THydrogen-bonded Turntrans-81.5-6.2-170.500000114.6V10 T11 Q15 R19 L34 V35 D36V10-A13 HydrophobicContact CB-CB 3.99Å; V10-A13 HydrophobicContact CG1-CB 3.91Å; V10-A13 WeakPolarHBondContact O-CB 3.32Å; T11-A13 VanDerWaalsContact C-N 3.29Å; A13-Q15 VanDerWaalsContact C-N 3.3Å; A13-Q15 PolarHBondContact O-N 3.03Å; A13-R19 VanDerWaalsContact O-CA 3.27Å; A13-R19 WeakPolarHBondContact O-CA 3.32Å; A13-R19 WeakPolarHBondContact O-CB 3.5Å; A13-R19 PolarHBondContact O-N 2.96Å; A13-L34 HydrophobicContact CB-CB 3.9Å; A13-L34 HydrophobicContact CB-CD2 4.16Å; A13-L34 HydrophobicContact CB-CG 4.17Å; A13-V35 PolarHBondContact N-O 3.18Å; A13-D36 PolarHBondContact N-OD2 3.16Å
14A98.3Very high98.6Very high5 Ų525.1 Ų25.14%0.04115%0.145CC..THydrogen-bonded Turntrans-74.8-20.7-17300000113.2G12 D36 V41 C45G12-A14 VanDerWaalsContact C-N 3.34Å; A14-D36 HydrophobicContact CB-CB 3.75Å; A14-D36 VanDerWaalsContact CB-CG 3.44Å; A14-D36 WeakPolarHBondContact CB-OD2 3.3Å; A14-D36 PolarHBondContact N-OD2 3.36Å; A14-V41 HydrophobicContact CB-CB 4.21Å; A14-V41 HydrophobicContact CB-CG1 3.77Å; A14-C45 HydrophobicContact CB-CB 4.46Å
15Q98.1Very high98.7Very high86 Ų8619.2 Ų19.240%0.40211%0.113SC..SBendtrans-155.9173.5-175.362-174.545.300113.2A13 G18 R19A13-Q15 VanDerWaalsContact C-N 3.3Å; A13-Q15 PolarHBondContact O-N 3.03Å; Q15-G18 PolarHBondContact O-N 3.17Å; Q15-R19 PolarHBondContact O-N 3.24Å
16G98.2Very high98.7Very high22 Ų2217.3 Ų17.323%0.2279%0.092CC..Hα-helixtrans56-136.2173.100000113.6G18 R19 A20G16-G18 PolarHBondContact O-N 2.96Å; G16-R19 PolarHBondContact O-N 2.98Å; G16-A20 PolarHBondContact O-N 2.93Å; G16-A20 VanDerWaalsContact O-N 3.16Å
17I98.8Very high98.7Very high23 Ų2321.4 Ų21.412%0.11811%0.112CC..Hα-helixtrans-61.2-41.8-179.7-66.8166000111.8R19 A20 F21 M136 V186 T188 I225I17-R19 VanDerWaalsContact C-N 3.33Å; I17-R19 PolarHBondContact O-N 2.97Å; I17-A20 WeakPolarHBondContact O-CB 3.49Å; I17-A20 PolarHBondContact O-N 3.24Å; I17-A20 VanDerWaalsContact O-N 3.17Å; I17-F21 HydrophobicContact CG2-CD1 4.17Å; I17-F21 HydrophobicContact CG2-CD2 3.86Å; I17-F21 HydrophobicContact CG2-CE1 3.69Å; I17-F21 HydrophobicContact CG2-CE2 3.34Å; I17-F21 HydrophobicContact CG2-CG 4.28Å; I17-F21 HydrophobicContact CG2-CZ 3.25Å; I17-F21 VanDerWaalsContact O-CG 3.28Å; I17-F21 WeakPolarHBondContact O-CG 3.39Å; I17-F21 PolarHBondContact O-N 3.29Å; I17-M136 HydrophobicContact CD1-CE 4.31Å; I17-M136 HydrophobicContact CG2-CE 4.14Å; I17-V186 HydrophobicContact CD1-CB 4.04Å; I17-V186 HydrophobicContact CD1-CG1 4.04Å; I17-V186 HydrophobicContact CD1-CG2 3.98Å; I17-V186 HydrophobicContact CG1-CB 4.41Å; I17-V186 HydrophobicContact CG1-CG1 3.87Å; I17-T188 HydrophobicContact CD1-CG2 4.46Å; I17-T188 HydrophobicContact CG1-CG2 3.99Å; I17-I225 HydrophobicContact CD1-CG1 4.39Å; I17-I225 HydrophobicContact CG1-CG1 4.3Å; I17-I225 HydrophobicContact CG2-CB 4.26Å; I17-I225 HydrophobicContact CG2-CG2 3.91Å
18G98.8Very high98.7Very high1 Ų125 Ų251%0.0113%0.128CC..Hα-helixtrans-64.2-37.7-178.300000112.9G12 Q15 G16 F21 A22 N91G12-G18 WeakPolarHBondContact O-CA 3.26Å; Q15-G18 PolarHBondContact O-N 3.17Å; G16-G18 PolarHBondContact O-N 2.96Å; G18-F21 WeakPolarHBondContact O-CB 3.4Å; G18-F21 PolarHBondContact O-N 3.27Å; G18-A22 PolarHBondContact O-N 3.29Å; G18-N91 VanDerWaalsContact CA-ND2 3.28Å; G18-N91 WeakPolarHBondContact CA-ND2 3.36Å; G18-N91 PolarHBondContact N-ND2 3.33Å
19R98.8Very high98.7Very high84 Ų8425.5 Ų25.532%0.31713%0.133SC..Hα-helixtrans-65.1-44.8172177.7175.3167.8170.10.7111.7A13 Q15 G16 I17 F21 A22 E23A13-R19 VanDerWaalsContact O-CA 3.27Å; A13-R19 WeakPolarHBondContact O-CA 3.32Å; A13-R19 WeakPolarHBondContact O-CB 3.5Å; A13-R19 PolarHBondContact O-N 2.96Å; Q15-R19 PolarHBondContact O-N 3.24Å; G16-R19 PolarHBondContact O-N 2.98Å; I17-R19 VanDerWaalsContact C-N 3.33Å; I17-R19 PolarHBondContact O-N 2.97Å; R19-F21 PolarHBondContact O-N 2.82Å; R19-A22 WeakPolarHBondContact O-CB 3.5Å; R19-A22 PolarHBondContact O-N 3.25Å; R19-A22 VanDerWaalsContact O-N 3.1Å; R19-E23 HydrophobicContact CG-CG 4.46Å; R19-E23 IonicContact CZ-OE1 2.89Å; R19-E23 IonicContact NE-OE1 3.95Å; R19-E23 PolarHBondContact NE-OE1 3.07Å; R19-E23 IonicContact NH2-OE1 2.63Å; R19-E23 PolarHBondContact NH2-OE1 3.4Å; R19-E23 WeakPolarHBondContact O-CG 3.42Å; R19-E23 PolarHBondContact O-N 2.89Å
20A98.8Very high98.6Very high8 Ų825.5 Ų25.57%0.06613%0.133CC..Hα-helixtrans-60.9-34.8176.800000112.2G16 I17 A24 P222 A226G16-A20 PolarHBondContact O-N 2.93Å; G16-A20 VanDerWaalsContact O-N 3.16Å; I17-A20 WeakPolarHBondContact O-CB 3.49Å; I17-A20 PolarHBondContact O-N 3.24Å; I17-A20 VanDerWaalsContact O-N 3.17Å; A20-A24 WeakPolarHBondContact O-CB 3.49Å; A20-A24 PolarHBondContact O-N 3.41Å; A20-P222 HydrophobicContact CB-CB 3.63Å; A20-A226 HydrophobicContact CB-CB 4.3Å; A20-A226 WeakPolarHBondContact O-CB 3.44Å
21F98.9Very high98.6Very high0 Ų029.2 Ų29.20%015%0.15CC..Hα-helixtrans-63.5-47.4171.1-67.7-22.8000112.4V10 I17 G18 R19 E23 A24 L25 V89 N91 M136 I181 I225 A226 L229V10-F21 HydrophobicContact CG1-CB 4.22Å; V10-F21 HydrophobicContact CG1-CD2 4.44Å; I17-F21 HydrophobicContact CG2-CD1 4.17Å; I17-F21 HydrophobicContact CG2-CD2 3.86Å; I17-F21 HydrophobicContact CG2-CE1 3.69Å; I17-F21 HydrophobicContact CG2-CE2 3.34Å; I17-F21 HydrophobicContact CG2-CG 4.28Å; I17-F21 HydrophobicContact CG2-CZ 3.25Å; I17-F21 VanDerWaalsContact O-CG 3.28Å; I17-F21 WeakPolarHBondContact O-CG 3.39Å; I17-F21 PolarHBondContact O-N 3.29Å; G18-F21 WeakPolarHBondContact O-CB 3.4Å; G18-F21 PolarHBondContact O-N 3.27Å; R19-F21 PolarHBondContact O-N 2.82Å; F21-E23 VanDerWaalsContact C-N 3.35Å; F21-E23 PolarHBondContact O-N 3.39Å; F21-A24 PolarHBondContact O-N 3.36Å; F21-L25 WeakPolarHBondContact O-CB 3.24Å; F21-L25 WeakPolarHBondContact O-CD1 3.47Å; F21-L25 VanDerWaalsContact O-CG 3.23Å; F21-L25 WeakPolarHBondContact O-CG 3.23Å; F21-L25 PolarHBondContact O-N 2.7Å; F21-V89 HydrophobicContact CD2-CG1 3.63Å; F21-V89 HydrophobicContact CE2-CG1 3.71Å; F21-N91 HydrophobicContact CD2-CB 4.25Å; F21-N91 HydrophobicContact CE2-CB 4.16Å; F21-M136 HydrophobicContact CE2-CE 4.47Å; F21-M136 HydrophobicContact CE2-CG 4.05Å; F21-M136 HydrophobicContact CE2-SD 3.59Å; F21-M136 VanDerWaalsContact CE2-SD 3.59Å; F21-M136 HydrophobicContact CZ-CE 4.23Å; F21-M136 HydrophobicContact CZ-SD 3.56Å; F21-M136 VanDerWaalsContact CZ-SD 3.56Å; F21-I181 HydrophobicContact CZ-CD1 4.17Å; F21-I225 HydrophobicContact CE1-CB 4.25Å; F21-I225 HydrophobicContact CE1-CG2 3.8Å; F21-I225 HydrophobicContact CZ-CG2 3.75Å; F21-A226 HydrophobicContact CD1-CB 3.89Å; F21-A226 HydrophobicContact CE1-CB 4.38Å; F21-L229 HydrophobicContact CB-CD2 3.58Å; F21-L229 HydrophobicContact CD1-CB 3.86Å; F21-L229 HydrophobicContact CD1-CD2 3.44Å; F21-L229 VanDerWaalsContact CD1-CD2 3.44Å; F21-L229 HydrophobicContact CD1-CG 4.24Å; F21-L229 HydrophobicContact CD2-CD2 4.16Å; F21-L229 HydrophobicContact CE1-CB 3.67Å; F21-L229 HydrophobicContact CE1-CD2 4.04Å; F21-L229 HydrophobicContact CE1-CG 4.4Å; F21-L229 HydrophobicContact CG-CD2 3.49Å; F21-L229 VanDerWaalsContact CG-CD2 3.49Å; F21-L229 HydrophobicContact CZ-CB 4.33Å
22A98.8Very high98.6Very high0 Ų029.1 Ų29.10%015%0.149CC..Hα-helixtrans-59.2-46.3177.200000111.5G18 R19 L25 L26 V32 L34 L49G18-A22 PolarHBondContact O-N 3.29Å; R19-A22 WeakPolarHBondContact O-CB 3.5Å; R19-A22 PolarHBondContact O-N 3.25Å; R19-A22 VanDerWaalsContact O-N 3.1Å; A22-L25 PolarHBondContact O-N 3.03Å; A22-L26 WeakPolarHBondContact O-CB 3.38Å; A22-L26 WeakPolarHBondContact O-CD1 3.31Å; A22-L26 VanDerWaalsContact O-CG 3.22Å; A22-L26 WeakPolarHBondContact O-CG 3.35Å; A22-L26 PolarHBondContact O-N 2.84Å; A22-V32 HydrophobicContact CB-CG1 3.92Å; A22-L34 HydrophobicContact CB-CD2 4.16Å; A22-L34 HydrophobicContact CB-CG 4.48Å; A22-L49 HydrophobicContact CB-CD1 4.5Å
23E98.8Very high98.7Very high53 Ų5328.4 Ų28.425%0.24814%0.142CC..Hα-helixtrans-58.8-49.5176.5-72.9169.6175.800111.7R19 F21 L25 L26 H27 L49R19-E23 HydrophobicContact CG-CG 4.46Å; R19-E23 IonicContact CZ-OE1 2.89Å; R19-E23 IonicContact NE-OE1 3.95Å; R19-E23 PolarHBondContact NE-OE1 3.07Å; R19-E23 IonicContact NH2-OE1 2.63Å; R19-E23 PolarHBondContact NH2-OE1 3.4Å; R19-E23 WeakPolarHBondContact O-CG 3.42Å; R19-E23 PolarHBondContact O-N 2.89Å; F21-E23 VanDerWaalsContact C-N 3.35Å; F21-E23 PolarHBondContact O-N 3.39Å; E23-L25 PolarHBondContact O-N 2.82Å; E23-L26 PolarHBondContact O-N 3.1Å; E23-H27 PolarHBondContact O-CD2 2.98Å; E23-H27 PolarHBondContact O-N 3.44Å; E23-L49 HydrophobicContact CG-CD2 3.54Å
24A98.8Very high98.7Very high15 Ų1528.5 Ų28.512%0.12414%0.142CC..Hα-helixtrans-62.5-43.5179.400000112.5A20 F21 H27 H28 A226 I230A20-A24 WeakPolarHBondContact O-CB 3.49Å; A20-A24 PolarHBondContact O-N 3.41Å; F21-A24 PolarHBondContact O-N 3.36Å; A24-H27 PolarHBondContact O-N 2.84Å; A24-H28 PolarHBondContact O-N 3.06Å; A24-H28 VanDerWaalsContact O-N 3.09Å; A24-H28 PolarHBondContact O-ND1 2.71Å; A24-A226 HydrophobicContact CB-CB 3.71Å; A24-I230 HydrophobicContact CB-CD1 4.35Å; A24-I230 HydrophobicContact CB-CG1 4.27Å
25L98.9Very high98.7Very high0 Ų028.2 Ų28.20%014%0.14CC..Hα-helixtrans-62.1-43.3177.3-74.6165.2000111.7V3 A8 V10 F21 A22 E23 H28 G29 A30 V32 I87 L229 I230 I233V3-L25 HydrophobicContact CG1-CD2 4.04Å; A8-L25 HydrophobicContact CB-CD1 3.67Å; A8-L25 HydrophobicContact CB-CD2 4.38Å; V10-L25 HydrophobicContact CG2-CD1 3.76Å; F21-L25 WeakPolarHBondContact O-CB 3.24Å; F21-L25 WeakPolarHBondContact O-CD1 3.47Å; F21-L25 VanDerWaalsContact O-CG 3.23Å; F21-L25 WeakPolarHBondContact O-CG 3.23Å; F21-L25 PolarHBondContact O-N 2.7Å; A22-L25 PolarHBondContact O-N 3.03Å; E23-L25 PolarHBondContact O-N 2.82Å; L25-H28 CarbonylContact O-C 3.57Å; L25-H28 PolarHBondContact O-N 2.89Å; L25-G29 PolarHBondContact O-N 3.38Å; L25-A30 HydrophobicContact CB-CB 4.09Å; L25-A30 HydrophobicContact CD2-CB 4.48Å; L25-A30 VanDerWaalsContact O-CB 3.32Å; L25-A30 WeakPolarHBondContact O-CB 3.36Å; L25-A30 PolarHBondContact O-N 2.89Å; L25-V32 HydrophobicContact CB-CG2 3.71Å; L25-V32 HydrophobicContact CD1-CG2 4.4Å; L25-I87 HydrophobicContact CD2-CD1 4.1Å; L25-L229 HydrophobicContact CD1-CD2 4.12Å; L25-L229 HydrophobicContact CG-CD2 4.22Å; L25-I230 HydrophobicContact CD2-CD1 4.22Å; L25-I233 HydrophobicContact CD2-CD1 3.76Å
26L98.8Very high98.7Very high3 Ų324.7 Ų24.72%0.01612%0.124CC..Hα-helixtrans-63.6-42.5176.6-72.1164.7000112A22 E23 H28 G29 V32 L49 F53 K57 T58A22-L26 WeakPolarHBondContact O-CB 3.38Å; A22-L26 WeakPolarHBondContact O-CD1 3.31Å; A22-L26 VanDerWaalsContact O-CG 3.22Å; A22-L26 WeakPolarHBondContact O-CG 3.35Å; A22-L26 PolarHBondContact O-N 2.84Å; E23-L26 PolarHBondContact O-N 3.1Å; L26-H28 PolarHBondContact O-N 3.45Å; L26-G29 PolarHBondContact O-N 3.31Å; L26-V32 HydrophobicContact CD2-CB 4.4Å; L26-V32 HydrophobicContact CD2-CG2 3.98Å; L26-V32 HydrophobicContact CG-CB 4.42Å; L26-V32 HydrophobicContact CG-CG2 3.82Å; L26-L49 HydrophobicContact CD1-CB 4.37Å; L26-L49 HydrophobicContact CD1-CD1 4.03Å; L26-L49 HydrophobicContact CD1-CD2 4.09Å; L26-L49 HydrophobicContact CD1-CG 4.4Å; L26-F53 HydrophobicContact CB-CD1 3.89Å; L26-F53 HydrophobicContact CB-CD2 4Å; L26-F53 HydrophobicContact CB-CE1 3.76Å; L26-F53 HydrophobicContact CB-CE2 3.88Å; L26-F53 HydrophobicContact CB-CG 4Å; L26-F53 HydrophobicContact CB-CZ 3.74Å; L26-F53 HydrophobicContact CD1-CD2 3.73Å; L26-F53 HydrophobicContact CD1-CE2 3.96Å; L26-F53 HydrophobicContact CD1-CG 4.26Å; L26-F53 HydrophobicContact CG-CD2 4.38Å; L26-K57 HydrophobicContact CD2-CB 3.69Å; L26-T58 HydrophobicContact CD1-CG2 3.69Å; L26-T58 HydrophobicContact CD2-CG2 3.76Å; L26-T58 HydrophobicContact CG-CG2 4.36Å
27H98.4Very high98.7Very high130 Ų13032.2 Ų32.260%0.60215%0.146SC*.Hα-helixtrans-60.2-31.5174-82.4-59.6000112.9E23 A24 G29 F53E23-H27 PolarHBondContact O-CD2 2.98Å; E23-H27 PolarHBondContact O-N 3.44Å; A24-H27 PolarHBondContact O-N 2.84Å; H27-G29 VanDerWaalsContact C-N 3.27Å; H27-G29 PolarHBondContact O-N 3.19Å; H27-F53 AromaticContact CD2-CZ 3.8Å; H27-F53 AromaticContact CE1-CE1 3.91Å; H27-F53 AromaticContact CE1-CZ 3.57Å; H27-F53 AromaticContact CG-CZ 3.86Å; H27-F53 AromaticContact ND1-CE1 3.7Å; H27-F53 AromaticContact ND1-CZ 3.73Å; H27-F53 AromaticContact NE2-CZ 3.63Å
28H98.5Very high98.7Very high78 Ų7833.8 Ų33.836%0.36115%0.154SC..THydrogen-bonded Turntrans-88.29.4175.3-68.272.9000113.3V3 N4 A24 L25 L26 E234V3-H28 HydrophobicContact CB-CB 3.77Å; V3-H28 HydrophobicContact CG1-CB 3.54Å; V3-H28 HydrophobicContact CG2-CB 4.37Å; N4-H28 WeakPolarHBondContact CA-O 3.47Å; N4-H28 PolarHBondContact N-O 3.12Å; A24-H28 PolarHBondContact O-N 3.06Å; A24-H28 VanDerWaalsContact O-N 3.09Å; A24-H28 PolarHBondContact O-ND1 2.71Å; L25-H28 CarbonylContact O-C 3.57Å; L25-H28 PolarHBondContact O-N 2.89Å; L26-H28 PolarHBondContact O-N 3.45Å; H28-E234 IonicContact CD2-OE1 3.39Å
29G98.2Very high98.7Very high10 Ų1037.6 Ų37.610%0.10317%0.174CC..THydrogen-bonded Turntrans85.111.4172.100000115.3N4 G5 L25 L26 H27N4-G29 PolarHBondContact OD1-O 2.69Å; G5-G29 PolarHBondContact N-O 2.93Å; L25-G29 PolarHBondContact O-N 3.38Å; L26-G29 PolarHBondContact O-N 3.31Å; H27-G29 VanDerWaalsContact C-N 3.27Å; H27-G29 PolarHBondContact O-N 3.19Å
30A98.7Very high98.7Very high0 Ų039.3 Ų39.30%019%0.185CC..  trans-71.5162.3171.600000111.8V3 K6 L25 V32V3-A30 HydrophobicContact CG1-CB 3.82Å; K6-A30 CarbonylContact O-C 3.59Å; K6-A30 VanDerWaalsContact O-CA 3.26Å; K6-A30 WeakPolarHBondContact O-CA 3.44Å; K6-A30 WeakPolarHBondContact O-CB 3.22Å; L25-A30 HydrophobicContact CB-CB 4.09Å; L25-A30 HydrophobicContact CD2-CB 4.48Å; L25-A30 VanDerWaalsContact O-CB 3.32Å; L25-A30 WeakPolarHBondContact O-CB 3.36Å; L25-A30 PolarHBondContact O-N 2.89Å; A30-V32 HydrophobicContact CB-CG2 4.49Å
31K98.9Very high98.7Very high79 Ų7940.9 Ų40.934%0.34319%0.194SC..EExtended strand (participates in β ladder)trans-97.4139.1159.7-57.1178.4-174.4176.40108K6 V7 A8 K57 F82K6-K31 PolarHBondContact O-N 3.45Å; V7-K31 WeakPolarHBondContact CA-O 3.48Å; V7-K31 HydrophobicContact CG2-CB 4.41Å; A8-K31 PolarHBondContact N-O 3.05Å; K31-K57 CarbonylContact C-O 3.5Å; K31-K57 VanDerWaalsContact CA-O 3.28Å; K31-K57 WeakPolarHBondContact CA-O 3.32Å; K31-F82 HydrophobicContact CB-CD1 4.07Å; K31-F82 HydrophobicContact CB-CE1 3.83Å; K31-F82 HydrophobicContact CB-CZ 4.1Å; K31-F82 HydrophobicContact CD-CD1 3.64Å; K31-F82 HydrophobicContact CD-CE1 3.9Å; K31-F82 HydrophobicContact CD-CG 4.5Å; K31-F82 HydrophobicContact CG-CD1 4.47Å; K31-F82 HydrophobicContact CG-CE1 4.35Å
32V98.9Very high98.6Very high0 Ų040.9 Ų40.90%019%0.194CC..EExtended strand (participates in β ladder)trans-127.3121.3-171.6-1740000111.2A8 V10 A22 L25 L26 A30 L34 K57 T58 L59A8-V32 HydrophobicContact CB-CG2 4.44Å; A8-V32 CarbonylContact O-C 3.6Å; A8-V32 WeakPolarHBondContact O-CA 3.45Å; V10-V32 HydrophobicContact CG2-CG1 4.02Å; A22-V32 HydrophobicContact CB-CG1 3.92Å; L25-V32 HydrophobicContact CB-CG2 3.71Å; L25-V32 HydrophobicContact CD1-CG2 4.4Å; L26-V32 HydrophobicContact CD2-CB 4.4Å; L26-V32 HydrophobicContact CD2-CG2 3.98Å; L26-V32 HydrophobicContact CG-CB 4.42Å; L26-V32 HydrophobicContact CG-CG2 3.82Å; A30-V32 HydrophobicContact CB-CG2 4.49Å; V32-L34 HydrophobicContact CG1-CG 4.46Å; V32-K57 PolarHBondContact N-O 2.73Å; V32-T58 VanDerWaalsContact O-CA 3.3Å; V32-T58 WeakPolarHBondContact O-CA 3.4Å; V32-L59 PolarHBondContact O-N 3.38Å
33A98.9Very high98.6Very high0 Ų045.3 Ų45.30%022%0.217CC..EExtended strand (participates in β ladder)trans-83.2110.3161.200000109.6A8 L9 V10 V35 L59 V78 F82A8-A33 PolarHBondContact O-N 3.32Å; L9-A33 HydrophobicContact CG-CB 4.4Å; V10-A33 PolarHBondContact N-O 3.36Å; A33-V35 PolarHBondContact O-N 3.05Å; A33-L59 CarbonylContact C-O 3.41Å; A33-L59 VanDerWaalsContact CA-O 3.31Å; A33-L59 WeakPolarHBondContact CA-O 3.35Å; A33-V78 HydrophobicContact CB-CB 4.25Å; A33-V78 HydrophobicContact CB-CG1 3.8Å; A33-V78 HydrophobicContact CB-CG2 3.39Å; A33-F82 HydrophobicContact CB-CE2 4.2Å
34L98.9Very high98.6Very high1 Ų148.9 Ų48.91%0.00523%0.232CC..EExtended strand (participates in β ladder)trans-80.7109.7171.1-61.5100.9000108.9A13 A22 V32 L49 T58 L59 F60 V61A13-L34 HydrophobicContact CB-CB 3.9Å; A13-L34 HydrophobicContact CB-CD2 4.16Å; A13-L34 HydrophobicContact CB-CG 4.17Å; A22-L34 HydrophobicContact CB-CD2 4.16Å; A22-L34 HydrophobicContact CB-CG 4.48Å; V32-L34 HydrophobicContact CG1-CG 4.46Å; L34-L49 HydrophobicContact CD1-CD1 4.3Å; L34-L49 HydrophobicContact CD2-CD1 3.55Å; L34-L49 HydrophobicContact CG-CD1 4.5Å; L34-T58 HydrophobicContact CD1-CG2 4.08Å; L34-L59 PolarHBondContact N-O 3.03Å; L34-F60 HydrophobicContact CB-CD2 4.18Å; L34-F60 WeakPolarHBondContact O-CA 3.13Å; L34-F60 VanDerWaalsContact O-CD2 3.27Å; L34-F60 WeakPolarHBondContact O-CD2 3.17Å; L34-V61 PolarHBondContact O-N 3.2Å
35V98.9Very high98.6Very high0 Ų048.3 Ų48.30%023%0.227CC..EExtended strand (participates in β ladder)trans-109.2122.3178.9-179.60000108.9L9 V10 T11 G12 A13 A33 V61 C63 T74L9-V35 HydrophobicContact CD1-CG2 4.48Å; L9-V35 HydrophobicContact CD2-CB 4.3Å; L9-V35 HydrophobicContact CD2-CG2 3.73Å; L9-V35 HydrophobicContact CG-CG2 3.88Å; V10-V35 WeakPolarHBondContact O-CB 3.39Å; V10-V35 PolarHBondContact O-N 3.4Å; T11-V35 CarbonylContact C-O 3.44Å; T11-V35 WeakPolarHBondContact CA-O 3.49Å; T11-V35 HydrophobicContact CG2-CB 4.41Å; T11-V35 HydrophobicContact CG2-CG1 4.4Å; G12-V35 PolarHBondContact N-O 3.3Å; A13-V35 PolarHBondContact N-O 3.18Å; A33-V35 PolarHBondContact O-N 3.05Å; V35-V61 WeakPolarHBondContact CA-O 3.46Å; V35-C63 HydrophobicContact CG1-CB 3.51Å; V35-T74 HydrophobicContact CB-CG2 4.4Å; V35-T74 HydrophobicContact CG1-CG2 3.86Å; V35-T74 HydrophobicContact CG2-CG2 3.57Å
36D98.8Very high98.6Very high12 Ų1250.4 Ų50.46%0.06424%0.236CC..EExtended strand (participates in β ladder)trans-152.8150.8178.7-148.2-67.7000110.9G12 A13 A14 N38 F60 V61 Q62 C63G12-D36 WeakPolarHBondContact CA-OD2 3.28Å; A13-D36 PolarHBondContact N-OD2 3.16Å; A14-D36 HydrophobicContact CB-CB 3.75Å; A14-D36 VanDerWaalsContact CB-CG 3.44Å; A14-D36 WeakPolarHBondContact CB-OD2 3.3Å; A14-D36 PolarHBondContact N-OD2 3.36Å; D36-N38 PolarHBondContact OD1-N 3.08Å; D36-N38 VanDerWaalsContact OD1-N 3.16Å; D36-F60 HydrophobicContact CB-CE2 4.05Å; D36-V61 PolarHBondContact N-O 2.95Å; D36-Q62 CarbonylContact O-C 3.59Å; D36-Q62 VanDerWaalsContact O-CA 3.25Å; D36-Q62 WeakPolarHBondContact O-CA 3.4Å; D36-C63 CarbonylContact C-O 3.52Å; D36-C63 PolarHBondContact O-N 3.48Å
37W98.5Very high98.5Very high180 Ų18052.6 Ų52.668%0.68225%0.254SS*.SBendtrans-77.3-28.3177.872.9-62000111.5L39 Q62 C63W37-L39 PolarHBondContact O-N 3.08Å; W37-Q62 PolarHBondContact O-NE2 3.28Å; W37-Q62 VanDerWaalsContact O-NE2 3.08Å; W37-C63 VanDerWaalsContact CA-O 3.27Å; W37-C63 WeakPolarHBondContact CA-O 3.32Å; W37-C63 WeakPolarHBondContact CB-O 3.13Å; W37-C63 PolarHBondContact N-O 3.39Å
38N98.1Very high98.5Very high56 Ų5647.7 Ų47.730%0.29924%0.236SC..  trans-83.3102-179-169.2-37.1000111D36 E40 V41 G42D36-N38 PolarHBondContact OD1-N 3.08Å; D36-N38 VanDerWaalsContact OD1-N 3.16Å; N38-E40 PolarHBondContact O-N 3.36Å; N38-E40 PolarHBondContact OD1-N 2.91Å; N38-V41 HydrophobicContact CB-CB 4.24Å; N38-V41 HydrophobicContact CB-CG2 4.39Å; N38-V41 VanDerWaalsContact CG-CG2 3.46Å; N38-V41 WeakPolarHBondContact ND2-CG2 3.23Å; N38-V41 WeakPolarHBondContact OD1-CG2 3.49Å; N38-V41 PolarHBondContact OD1-N 2.9Å; N38-V41 VanDerWaalsContact OD1-N 3.09Å; N38-G42 PolarHBondContact O-N 3.13Å
39L98.3Very high98.5Very high80 Ų8044 Ų4442%0.41922%0.219SC..Hα-helixtrans-56.3-49.4-178.8-179.657.7000112.8W37 G42 I43 F60 Q62W37-L39 PolarHBondContact O-N 3.08Å; L39-G42 PolarHBondContact O-N 3.42Å; L39-I43 HydrophobicContact CD1-CD1 3.59Å; L39-I43 HydrophobicContact CD1-CG1 4.16Å; L39-I43 HydrophobicContact CG-CD1 3.96Å; L39-I43 WeakPolarHBondContact O-CG1 3.32Å; L39-I43 PolarHBondContact O-N 3.46Å; L39-F60 HydrophobicContact CD1-CE1 3.86Å; L39-Q62 HydrophobicContact CB-CG 4.42Å; L39-Q62 HydrophobicContact CD1-CB 4.37Å
40E98.4Very high98.4Very high120 Ų12045.9 Ų45.956%0.56123%0.227SC*.Hα-helixtrans-69.7-47-172.5-170.8-173.4159.300111.4N38 G42 I43 K44N38-E40 PolarHBondContact O-N 3.36Å; N38-E40 PolarHBondContact OD1-N 2.91Å; E40-G42 VanDerWaalsContact C-N 3.29Å; E40-G42 PolarHBondContact O-N 2.94Å; E40-I43 PolarHBondContact O-N 3.04Å; E40-K44 HydrophobicContact CG-CD 4.3Å; E40-K44 WeakPolarHBondContact O-CB 3.32Å; E40-K44 WeakPolarHBondContact O-CG 3.25Å; E40-K44 PolarHBondContact O-N 2.93Å; E40-K44 WeakPolarHBondContact OE1-CE 3.45Å; E40-K44 IonicContact OE1-NZ 3.45Å; E40-K44 PolarHBondContact OE1-NZ 2.69Å
41V98.2Very high98.3Very high42 Ų4253.9 Ų53.926%0.25526%0.264SS..Hα-helixtrans-65.5-38.2178.3-175.20000110.1A14 N38 K44 C45A14-V41 HydrophobicContact CB-CB 4.21Å; A14-V41 HydrophobicContact CB-CG1 3.77Å; N38-V41 HydrophobicContact CB-CB 4.24Å; N38-V41 HydrophobicContact CB-CG2 4.39Å; N38-V41 VanDerWaalsContact CG-CG2 3.46Å; N38-V41 WeakPolarHBondContact ND2-CG2 3.23Å; N38-V41 WeakPolarHBondContact OD1-CG2 3.49Å; N38-V41 PolarHBondContact OD1-N 2.9Å; N38-V41 VanDerWaalsContact OD1-N 3.09Å; V41-K44 PolarHBondContact O-N 3.17Å; V41-C45 VanDerWaalsContact O-CB 3.26Å; V41-C45 WeakPolarHBondContact O-CB 3.5Å; V41-C45 PolarHBondContact O-N 2.75Å
42G98.5Very high98.2Very high0 Ų055.7 Ų55.70%027%0.274CS..Hα-helixtrans-62.8-47176.600000113.8N38 L39 E40 C45 K46N38-G42 PolarHBondContact O-N 3.13Å; L39-G42 PolarHBondContact O-N 3.42Å; E40-G42 VanDerWaalsContact C-N 3.29Å; E40-G42 PolarHBondContact O-N 2.94Å; G42-C45 PolarHBondContact O-N 3.28Å; G42-K46 PolarHBondContact O-N 2.98Å
43I98.4Very high98.2Very high93 Ų9357 Ų5748%0.47728%0.28SS..Hα-helixtrans-61.6-45.9175.6-72169.9000110.7L39 E40 C45 K46 A47 F60L39-I43 HydrophobicContact CD1-CD1 3.59Å; L39-I43 HydrophobicContact CD1-CG1 4.16Å; L39-I43 HydrophobicContact CG-CD1 3.96Å; L39-I43 WeakPolarHBondContact O-CG1 3.32Å; L39-I43 PolarHBondContact O-N 3.46Å; E40-I43 PolarHBondContact O-N 3.04Å; I43-C45 VanDerWaalsContact C-N 3.34Å; I43-C45 PolarHBondContact O-N 3.37Å; I43-K46 PolarHBondContact O-N 3.48Å; I43-A47 WeakPolarHBondContact O-CB 3.32Å; I43-A47 PolarHBondContact O-N 3.1Å; I43-F60 HydrophobicContact CG1-CD1 4.12Å; I43-F60 HydrophobicContact CG1-CE1 4.22Å
44K98.6Very high98Very high128 Ų12862.1 Ų62.156%0.55730%0.304SS*.Hα-helixtrans-61.7-42177.5-74.9173.9173.6173.40112E40 V41 A47 A48E40-K44 HydrophobicContact CG-CD 4.3Å; E40-K44 WeakPolarHBondContact O-CB 3.32Å; E40-K44 WeakPolarHBondContact O-CG 3.25Å; E40-K44 PolarHBondContact O-N 2.93Å; E40-K44 WeakPolarHBondContact OE1-CE 3.45Å; E40-K44 IonicContact OE1-NZ 3.45Å; E40-K44 PolarHBondContact OE1-NZ 2.69Å; V41-K44 PolarHBondContact O-N 3.17Å; K44-A47 PolarHBondContact O-N 3.27Å; K44-A48 PolarHBondContact O-N 3.32Å
45C98.4Very high97.8Very high2 Ų265.4 Ų65.41%0.01433%0.326CS..Hα-helixtrans-61.2-49.6176.7-176.70000111.1A14 V41 G42 I43 A47 A48 L49A14-C45 HydrophobicContact CB-CB 4.46Å; V41-C45 VanDerWaalsContact O-CB 3.26Å; V41-C45 WeakPolarHBondContact O-CB 3.5Å; V41-C45 PolarHBondContact O-N 2.75Å; G42-C45 PolarHBondContact O-N 3.28Å; I43-C45 VanDerWaalsContact C-N 3.34Å; I43-C45 PolarHBondContact O-N 3.37Å; C45-A47 PolarHBondContact O-N 3.05Å; C45-A48 PolarHBondContact O-N 2.82Å; C45-L49 WeakPolarHBondContact O-CG 3.32Å; C45-L49 PolarHBondContact O-N 2.84Å; C45-L49 VanDerWaalsContact O-N 3.07Å
46K98.5Very high97.6Very high45 Ų4570.6 Ų70.620%0.19635%0.351CS..Hα-helixtrans-58.1-46.6176.1171.5165.1168.148.10111.8G42 I43 A48 L49 D50 S55 T58 F60G42-K46 PolarHBondContact O-N 2.98Å; I43-K46 PolarHBondContact O-N 3.48Å; K46-A48 VanDerWaalsContact C-N 3.32Å; K46-A48 PolarHBondContact O-N 2.97Å; K46-L49 PolarHBondContact O-N 3.24Å; K46-L49 VanDerWaalsContact O-N 3.1Å; K46-D50 WeakPolarHBondContact CE-OD2 3.3Å; K46-D50 VanDerWaalsContact NZ-CG 3.29Å; K46-D50 IonicContact NZ-OD1 3.27Å; K46-D50 PolarHBondContact NZ-OD1 3.38Å; K46-D50 IonicContact NZ-OD2 3.03Å; K46-D50 PolarHBondContact NZ-OD2 2.92Å; K46-D50 VanDerWaalsContact O-CG 3.29Å; K46-D50 PolarHBondContact O-N 2.77Å; K46-S55 PolarHBondContact NZ-O 2.97Å; K46-T58 PolarHBondContact NZ-O 2.71Å; K46-T58 VanDerWaalsContact NZ-O 3.1Å; K46-T58 PolarHBondContact NZ-OG1 2.86Å; K46-F60 HydrophobicContact CB-CB 4.2Å; K46-F60 HydrophobicContact CD-CB 3.81Å
47A98.3Very high97.6Very high49 Ų4972.4 Ų72.441%0.40536%0.358SS..Hα-helixtrans-58.2-44.1179.800000112I43 K44 C45 L49 D50 E51I43-A47 WeakPolarHBondContact O-CB 3.32Å; I43-A47 PolarHBondContact O-N 3.1Å; K44-A47 PolarHBondContact O-N 3.27Å; C45-A47 PolarHBondContact O-N 3.05Å; A47-L49 VanDerWaalsContact C-N 3.3Å; A47-L49 PolarHBondContact O-N 2.81Å; A47-D50 PolarHBondContact O-N 3.01Å; A47-E51 PolarHBondContact O-N 3.07Å
48A98.3Very high97.6Very high27 Ų2764 Ų6422%0.22333%0.327CS..Hα-helixtrans-66.8-28.4177.400000113.6K44 C45 K46 Q52K44-A48 PolarHBondContact O-N 3.32Å; C45-A48 PolarHBondContact O-N 2.82Å; K46-A48 VanDerWaalsContact C-N 3.32Å; K46-A48 PolarHBondContact O-N 2.97Å; A48-Q52 PolarHBondContact O-NE2 2.85Å
49L98Very high97.6Very high0 Ų062.9 Ų62.90%032%0.321CS..Hα-helixtrans-77.3-35.8173.6-67.7172.1000111.7A22 E23 L26 L34 C45 K46 A47 E51 Q52 F53 T58A22-L49 HydrophobicContact CB-CD1 4.5Å; E23-L49 HydrophobicContact CG-CD2 3.54Å; L26-L49 HydrophobicContact CD1-CB 4.37Å; L26-L49 HydrophobicContact CD1-CD1 4.03Å; L26-L49 HydrophobicContact CD1-CD2 4.09Å; L26-L49 HydrophobicContact CD1-CG 4.4Å; L34-L49 HydrophobicContact CD1-CD1 4.3Å; L34-L49 HydrophobicContact CD2-CD1 3.55Å; L34-L49 HydrophobicContact CG-CD1 4.5Å; C45-L49 WeakPolarHBondContact O-CG 3.32Å; C45-L49 PolarHBondContact O-N 2.84Å; C45-L49 VanDerWaalsContact O-N 3.07Å; K46-L49 PolarHBondContact O-N 3.24Å; K46-L49 VanDerWaalsContact O-N 3.1Å; A47-L49 VanDerWaalsContact C-N 3.3Å; A47-L49 PolarHBondContact O-N 2.81Å; L49-E51 PolarHBondContact O-N 3.37Å; L49-Q52 PolarHBondContact O-N 3.28Å; L49-F53 HydrophobicContact CB-CD2 4.4Å; L49-F53 HydrophobicContact CD2-CD2 4.28Å; L49-F53 HydrophobicContact CD2-CE2 4.06Å; L49-F53 WeakPolarHBondContact O-CD2 3.46Å; L49-F53 PolarHBondContact O-N 3.34Å; L49-T58 HydrophobicContact CB-CG2 4.35Å
50D94.9Very high97.6Very high50 Ų5060.8 Ų60.827%0.26731%0.308SS..Hα-helixtrans-67.1-18.3177.1-68.9-11.1000112.7K46 A47 Q52 F53 S55 T58K46-D50 WeakPolarHBondContact CE-OD2 3.3Å; K46-D50 VanDerWaalsContact NZ-CG 3.29Å; K46-D50 IonicContact NZ-OD1 3.27Å; K46-D50 PolarHBondContact NZ-OD1 3.38Å; K46-D50 IonicContact NZ-OD2 3.03Å; K46-D50 PolarHBondContact NZ-OD2 2.92Å; K46-D50 VanDerWaalsContact O-CG 3.29Å; K46-D50 PolarHBondContact O-N 2.77Å; A47-D50 PolarHBondContact O-N 3.01Å; D50-Q52 VanDerWaalsContact C-N 3.31Å; D50-F53 CarbonylContact C-O 3.48Å; D50-F53 WeakPolarHBondContact CA-O 3.48Å; D50-F53 VanDerWaalsContact O-O 3.05Å; D50-S55 WeakPolarHBondContact OD1-CA 3.33Å; D50-T58 PolarHBondContact OD1-OG1 2.76Å
51E97.3Very high97.6Very high168 Ų16855.5 Ų55.579%0.78528%0.284SS*.THydrogen-bonded Turntrans-72.5-24.4169.8-70.2176.1-172.600112.9A47 L49A47-E51 PolarHBondContact O-N 3.07Å; L49-E51 PolarHBondContact O-N 3.37Å
52Q97.3Very high97.6Very high117 Ų11758.1 Ų58.155%0.54729%0.293SS..THydrogen-bonded Turntrans-108.5-26.2-174.5-65.3175.768.900112.9A48 L49 D50A48-Q52 PolarHBondContact O-NE2 2.85Å; L49-Q52 PolarHBondContact O-N 3.28Å; D50-Q52 VanDerWaalsContact C-N 3.31Å
53F97.8Very high97.7Very high27 Ų2758.1 Ų58.112%0.11829%0.294CS..SBendtrans-130.6155.8-175.7-54.8-77.1000110.3L26 H27 L49 D50 S55L26-F53 HydrophobicContact CB-CD1 3.89Å; L26-F53 HydrophobicContact CB-CD2 4Å; L26-F53 HydrophobicContact CB-CE1 3.76Å; L26-F53 HydrophobicContact CB-CE2 3.88Å; L26-F53 HydrophobicContact CB-CG 4Å; L26-F53 HydrophobicContact CB-CZ 3.74Å; L26-F53 HydrophobicContact CD1-CD2 3.73Å; L26-F53 HydrophobicContact CD1-CE2 3.96Å; L26-F53 HydrophobicContact CD1-CG 4.26Å; L26-F53 HydrophobicContact CG-CD2 4.38Å; H27-F53 AromaticContact CD2-CZ 3.8Å; H27-F53 AromaticContact CE1-CE1 3.91Å; H27-F53 AromaticContact CE1-CZ 3.57Å; H27-F53 AromaticContact CG-CZ 3.86Å; H27-F53 AromaticContact ND1-CE1 3.7Å; H27-F53 AromaticContact ND1-CZ 3.73Å; H27-F53 AromaticContact NE2-CZ 3.63Å; L49-F53 HydrophobicContact CB-CD2 4.4Å; L49-F53 HydrophobicContact CD2-CD2 4.28Å; L49-F53 HydrophobicContact CD2-CE2 4.06Å; L49-F53 WeakPolarHBondContact O-CD2 3.46Å; L49-F53 PolarHBondContact O-N 3.34Å; D50-F53 CarbonylContact C-O 3.48Å; D50-F53 WeakPolarHBondContact CA-O 3.48Å; D50-F53 VanDerWaalsContact O-O 3.05Å; F53-S55 PolarHBondContact O-N 3.47Å
54E96.1Very high97.7Very high108 Ų10856.3 Ų56.351%0.50529%0.285SS..  trans-60.2131.1176.2-49.8169174.700110.6Q56 K57E54-Q56 VanDerWaalsContact CB-CD 3.4Å; E54-Q56 HydrophobicContact CB-CG 4.36Å; E54-Q56 VanDerWaalsContact CB-NE2 3.27Å; E54-Q56 PolarHBondContact O-N 3.4Å; E54-Q56 PolarHBondContact OE2-NE2 2.96Å; E54-K57 HydrophobicContact CB-CG 4.41Å; E54-K57 WeakPolarHBondContact O-CB 3.37Å; E54-K57 PolarHBondContact O-N 3.42Å
55S94.3Very high97.7Very high69 Ų6950.8 Ų50.848%0.48326%0.262SS..G310 helixtrans-61.9-23.1-170.160.90000114.4K46 D50 F53 K57 T58K46-S55 PolarHBondContact NZ-O 2.97Å; D50-S55 WeakPolarHBondContact OD1-CA 3.33Å; F53-S55 PolarHBondContact O-N 3.47Å; S55-K57 PolarHBondContact O-N 3.37Å; S55-T58 PolarHBondContact O-N 3.1Å
56Q95.1Very high97.7Very high109 Ų10952.3 Ų52.351%0.50928%0.275SS..G310 helixtrans-70.1-12.4172.267.5-89.119.800114.3E54 T58E54-Q56 VanDerWaalsContact CB-CD 3.4Å; E54-Q56 HydrophobicContact CB-CG 4.36Å; E54-Q56 VanDerWaalsContact CB-NE2 3.27Å; E54-Q56 PolarHBondContact O-N 3.4Å; E54-Q56 PolarHBondContact OE2-NE2 2.96Å; Q56-T58 VanDerWaalsContact C-N 3.31Å
57K97.6Very high97.7Very high50 Ų5053.1 Ų53.122%0.21728%0.281CS..G310 helixtrans-82.7-10.8176.8-67.4-169.1176.1-177.80112.5L26 K31 V32 E54 S55L26-K57 HydrophobicContact CD2-CB 3.69Å; K31-K57 CarbonylContact C-O 3.5Å; K31-K57 VanDerWaalsContact CA-O 3.28Å; K31-K57 WeakPolarHBondContact CA-O 3.32Å; V32-K57 PolarHBondContact N-O 2.73Å; E54-K57 HydrophobicContact CB-CG 4.41Å; E54-K57 WeakPolarHBondContact O-CB 3.37Å; E54-K57 PolarHBondContact O-N 3.42Å; S55-K57 PolarHBondContact O-N 3.37Å
58T98.3Very high97.7Very high4 Ų455.3 Ų55.33%0.02528%0.283CS..EExtended strand (participates in β ladder)trans-126.5138-178.768.10000112.1L26 V32 L34 K46 L49 D50 S55 Q56L26-T58 HydrophobicContact CD1-CG2 3.69Å; L26-T58 HydrophobicContact CD2-CG2 3.76Å; L26-T58 HydrophobicContact CG-CG2 4.36Å; V32-T58 VanDerWaalsContact O-CA 3.3Å; V32-T58 WeakPolarHBondContact O-CA 3.4Å; L34-T58 HydrophobicContact CD1-CG2 4.08Å; K46-T58 PolarHBondContact NZ-O 2.71Å; K46-T58 VanDerWaalsContact NZ-O 3.1Å; K46-T58 PolarHBondContact NZ-OG1 2.86Å; L49-T58 HydrophobicContact CB-CG2 4.35Å; D50-T58 PolarHBondContact OD1-OG1 2.76Å; S55-T58 PolarHBondContact O-N 3.1Å; Q56-T58 VanDerWaalsContact C-N 3.31Å
59L98.6Very high97.7Very high33 Ų3360.2 Ų60.217%0.17330%0.299CS..EExtended strand (participates in β ladder)trans-124.9129.6170.1172.667.2000107.9V32 A33 L34 V61 V78 H81 F82V32-L59 PolarHBondContact O-N 3.38Å; A33-L59 CarbonylContact C-O 3.41Å; A33-L59 VanDerWaalsContact CA-O 3.31Å; A33-L59 WeakPolarHBondContact CA-O 3.35Å; L34-L59 PolarHBondContact N-O 3.03Å; L59-V61 HydrophobicContact CD2-CG2 3.88Å; L59-V61 HydrophobicContact CG-CG2 3.9Å; L59-V78 HydrophobicContact CD2-CG2 4.32Å; L59-H81 HydrophobicContact CD2-CB 3.84Å; L59-F82 HydrophobicContact CB-CE2 3.73Å; L59-F82 HydrophobicContact CB-CZ 3.72Å; L59-F82 HydrophobicContact CD2-CE2 4.32Å
60F98.8Very high97.7Very high35 Ų3563.7 Ų63.715%0.15432%0.316CS..EExtended strand (participates in β ladder)trans-98.6133.2169.3175.9-107.4000110.3L34 D36 L39 I43 K46 Q62L34-F60 HydrophobicContact CB-CD2 4.18Å; L34-F60 WeakPolarHBondContact O-CA 3.13Å; L34-F60 VanDerWaalsContact O-CD2 3.27Å; L34-F60 WeakPolarHBondContact O-CD2 3.17Å; D36-F60 HydrophobicContact CB-CE2 4.05Å; L39-F60 HydrophobicContact CD1-CE1 3.86Å; I43-F60 HydrophobicContact CG1-CD1 4.12Å; I43-F60 HydrophobicContact CG1-CE1 4.22Å; K46-F60 HydrophobicContact CB-CB 4.2Å; K46-F60 HydrophobicContact CD-CB 3.81Å; F60-Q62 HydrophobicContact CE1-CB 4.14Å; F60-Q62 HydrophobicContact CZ-CB 4.17Å
61V98.8Very high97.9Very high9 Ų961.4 Ų61.46%0.05530%0.303CS..EExtended strand (participates in β ladder)trans-130.9119172.7-171.40000109.2L34 V35 D36 L59 C63 T74 K77 V78L34-V61 PolarHBondContact O-N 3.2Å; V35-V61 WeakPolarHBondContact CA-O 3.46Å; D36-V61 PolarHBondContact N-O 2.95Å; L59-V61 HydrophobicContact CD2-CG2 3.88Å; L59-V61 HydrophobicContact CG-CG2 3.9Å; V61-C63 PolarHBondContact O-N 3.49Å; V61-T74 HydrophobicContact CB-CG2 4.12Å; V61-T74 HydrophobicContact CG1-CG2 3.88Å; V61-K77 HydrophobicContact CG1-CD 4.05Å; V61-V78 HydrophobicContact CG2-CG2 4.49Å
62Q98.8Very high98Very high97 Ų9759 Ų5945%0.45329%0.287SS..EExtended strand (participates in β ladder)trans-69.6125.7171-168.7-17410.800109.9D36 W37 L39 F60D36-Q62 CarbonylContact O-C 3.59Å; D36-Q62 VanDerWaalsContact O-CA 3.25Å; D36-Q62 WeakPolarHBondContact O-CA 3.4Å; W37-Q62 PolarHBondContact O-NE2 3.28Å; W37-Q62 VanDerWaalsContact O-NE2 3.08Å; L39-Q62 HydrophobicContact CB-CG 4.42Å; L39-Q62 HydrophobicContact CD1-CB 4.37Å; F60-Q62 HydrophobicContact CE1-CB 4.14Å; F60-Q62 HydrophobicContact CZ-CB 4.17Å
63C98.8Very high98.1Very high1 Ų155.5 Ų55.51%0.00727%0.272CS..  trans-154.8128179.7-1740000111.3V35 D36 W37 V61 Q70 T74V35-C63 HydrophobicContact CG1-CB 3.51Å; D36-C63 CarbonylContact C-O 3.52Å; D36-C63 PolarHBondContact O-N 3.48Å; W37-C63 VanDerWaalsContact CA-O 3.27Å; W37-C63 WeakPolarHBondContact CA-O 3.32Å; W37-C63 WeakPolarHBondContact CB-O 3.13Å; W37-C63 PolarHBondContact N-O 3.39Å; V61-C63 PolarHBondContact O-N 3.49Å; C63-Q70 VanDerWaalsContact SG-C 3.59Å; C63-T74 HydrophobicContact CB-CG2 4.39Å; C63-T74 WeakPolarHBondContact CB-OG1 3.38Å; C63-T74 PolarHBondContact SG-OG1 2.94Å
64D98.8Very high98.1Very high55 Ų5554.3 Ų54.329%0.29427%0.267SS..  trans-79.4117.9156.3-174.3-11.8000108.9A66 D67 Q70D64-A66 PolarHBondContact O-N 3.37Å; D64-A66 WeakPolarHBondContact OD1-CB 3.14Å; D64-A66 PolarHBondContact OD1-N 3.36Å; D64-D67 HydrophobicContact CB-CB 4.31Å; D64-D67 PolarHBondContact O-N 3.2Å; D64-Q70 VanDerWaalsContact N-OE1 3.12Å
65V98.8Very high98.2Very high12 Ų1249.2 Ų49.27%0.07324%0.243CC..THydrogen-bonded Turntrans-70-20-178.5-64.90000112.9T11 D67 L71 A92 I106 S110T11-V65 HydrophobicContact CG2-CG1 4.01Å; V65-D67 VanDerWaalsContact C-N 3.33Å; V65-L71 HydrophobicContact CB-CD1 4.48Å; V65-L71 HydrophobicContact CG1-CD1 4.2Å; V65-A92 HydrophobicContact CG1-CB 4.16Å; V65-A92 HydrophobicContact CG2-CB 3.91Å; V65-I106 HydrophobicContact CG2-CG2 4.17Å; V65-S110 VanDerWaalsContact O-CB 3.23Å; V65-S110 WeakPolarHBondContact O-CB 3.4Å
66A98.4Very high98.5Very high34 Ų3450.8 Ų50.828%0.28124%0.238SC..THydrogen-bonded Turntrans-78.4-19.1174.300000112.4D64 Q68 Q105 I106D64-A66 PolarHBondContact O-N 3.37Å; D64-A66 WeakPolarHBondContact OD1-CB 3.14Å; D64-A66 PolarHBondContact OD1-N 3.36Å; A66-Q68 PolarHBondContact O-N 3.19Å; A66-Q105 HydrophobicContact CB-CB 4.26Å; A66-I106 HydrophobicContact CB-CG1 4.09Å
67D98.7Very high98.6Very high61 Ų6150.2 Ų50.233%0.32623%0.234SC..  trans-85.1102.3171-177.4-29.4000109.8D64 V65 K69 Q70 L71D64-D67 HydrophobicContact CB-CB 4.31Å; D64-D67 PolarHBondContact O-N 3.2Å; V65-D67 VanDerWaalsContact C-N 3.33Å; D67-K69 PolarHBondContact O-N 3.09Å; D67-K69 VanDerWaalsContact O-N 3.17Å; D67-K69 WeakPolarHBondContact OD1-CA 3.47Å; D67-K69 WeakPolarHBondContact OD1-CB 3.44Å; D67-K69 PolarHBondContact OD1-N 2.88Å; D67-Q70 HydrophobicContact CB-CB 3.98Å; D67-Q70 HydrophobicContact CB-CG 3.99Å; D67-Q70 PolarHBondContact O-N 3.33Å; D67-Q70 VanDerWaalsContact O-N 3.14Å; D67-Q70 PolarHBondContact OD1-N 2.89Å; D67-Q70 WeakPolarHBondContact OD2-CG 3.35Å; D67-Q70 PolarHBondContact OD2-NE2 3.33Å; D67-L71 PolarHBondContact O-N 2.85Å
68Q97.8Very high98.7Very high96 Ų9647.9 Ų47.945%0.44922%0.224SC..Hα-helixtrans-60.6-28.7-177.5-63.6-170.518.600114A66 R72A66-Q68 PolarHBondContact O-N 3.19Å; Q68-R72 WeakPolarHBondContact O-CB 3.39Å; Q68-R72 WeakPolarHBondContact O-CG 3.28Å; Q68-R72 PolarHBondContact O-N 3.39Å
69K98.6Very high98.7Very high130 Ų13049 Ų4957%0.56523%0.231SC*.Hα-helixtrans-72.3-46.4177.5-177.1-174.6175.5-62.40109.4D67 L71 R72 D73D67-K69 PolarHBondContact O-N 3.09Å; D67-K69 VanDerWaalsContact O-N 3.17Å; D67-K69 WeakPolarHBondContact OD1-CA 3.47Å; D67-K69 WeakPolarHBondContact OD1-CB 3.44Å; D67-K69 PolarHBondContact OD1-N 2.88Å; K69-L71 VanDerWaalsContact C-N 3.3Å; K69-L71 PolarHBondContact O-N 3.28Å; K69-R72 PolarHBondContact O-N 3.08Å; K69-D73 IonicContact NZ-OD2 2.83Å; K69-D73 PolarHBondContact NZ-OD2 2.92Å; K69-D73 WeakPolarHBondContact O-CB 3.38Å; K69-D73 PolarHBondContact O-N 3.15Å
70Q98.8Very high98.7Very high73 Ų7352.6 Ų52.634%0.34125%0.25SS..Hα-helixtrans-60.2-41.4174.9-70.2-177.949.600111.8C63 D64 D67 D73 T74C63-Q70 VanDerWaalsContact SG-C 3.59Å; D64-Q70 VanDerWaalsContact N-OE1 3.12Å; D67-Q70 HydrophobicContact CB-CB 3.98Å; D67-Q70 HydrophobicContact CB-CG 3.99Å; D67-Q70 PolarHBondContact O-N 3.33Å; D67-Q70 VanDerWaalsContact O-N 3.14Å; D67-Q70 PolarHBondContact OD1-N 2.89Å; D67-Q70 WeakPolarHBondContact OD2-CG 3.35Å; D67-Q70 PolarHBondContact OD2-NE2 3.33Å; Q70-D73 PolarHBondContact O-N 3.37Å; Q70-T74 WeakPolarHBondContact O-CB 3.17Å; Q70-T74 PolarHBondContact O-N 2.92Å; Q70-T74 PolarHBondContact O-OG1 3.13Å
71L98.8Very high98.7Very high2 Ų256 Ų561%0.0127%0.266CS..Hα-helixtrans-63.6-46.7178.8-168.862.7000111.3V65 D67 K69 D73 T74 F75 L117V65-L71 HydrophobicContact CB-CD1 4.48Å; V65-L71 HydrophobicContact CG1-CD1 4.2Å; D67-L71 PolarHBondContact O-N 2.85Å; K69-L71 VanDerWaalsContact C-N 3.3Å; K69-L71 PolarHBondContact O-N 3.28Å; L71-D73 PolarHBondContact O-N 2.83Å; L71-T74 WeakPolarHBondContact O-CB 3.37Å; L71-T74 PolarHBondContact O-N 3.04Å; L71-T74 VanDerWaalsContact O-N 3.15Å; L71-F75 HydrophobicContact CD1-CD2 4.26Å; L71-F75 HydrophobicContact CD1-CE2 3.87Å; L71-F75 HydrophobicContact CG-CD2 4.31Å; L71-F75 HydrophobicContact CG-CE2 4.07Å; L71-F75 WeakPolarHBondContact O-CD2 3.47Å; L71-F75 PolarHBondContact O-N 2.92Å; L71-L117 HydrophobicContact CB-CD1 4.33Å; L71-L117 HydrophobicContact CD2-CD1 3.99Å; L71-L117 HydrophobicContact CG-CD1 3.74Å
72R98.8Very high98.7Very high117 Ų11756.6 Ų56.644%0.44227%0.268SS..Hα-helixtrans-57.2-48.4172.8-81.3-172.8-66.4-90.50.2112.5Q68 K69 T74 F75 R76 L117Q68-R72 WeakPolarHBondContact O-CB 3.39Å; Q68-R72 WeakPolarHBondContact O-CG 3.28Å; Q68-R72 PolarHBondContact O-N 3.39Å; K69-R72 PolarHBondContact O-N 3.08Å; R72-T74 PolarHBondContact O-N 3.11Å; R72-F75 PolarHBondContact O-N 3.02Å; R72-R76 PolarHBondContact O-N 2.94Å; R72-R76 VanDerWaalsContact O-N 3.12Å; R72-L117 HydrophobicContact CG-CD1 4.03Å; R72-L117 HydrophobicContact CG-CD2 3.62Å; R72-L117 HydrophobicContact CG-CG 4.46Å
73D98.8Very high98.7Very high44 Ų4455 Ų5524%0.23528%0.278CS..Hα-helixtrans-61.1-33178.5-80.2-36.1000111.6K69 Q70 L71 R76 K77K69-D73 IonicContact NZ-OD2 2.83Å; K69-D73 PolarHBondContact NZ-OD2 2.92Å; K69-D73 WeakPolarHBondContact O-CB 3.38Å; K69-D73 PolarHBondContact O-N 3.15Å; Q70-D73 PolarHBondContact O-N 3.37Å; L71-D73 PolarHBondContact O-N 2.83Å; D73-R76 IonicContact OD1-NE 3.66Å; D73-R76 IonicContact OD1-NH2 3.12Å; D73-K77 VanDerWaalsContact O-CG 3.25Å; D73-K77 WeakPolarHBondContact O-CG 3.27Å; D73-K77 PolarHBondContact O-N 3.16Å
74T98.9Very high98.6Very high2 Ų258.8 Ų58.81%0.01229%0.292CS..Hα-helixtrans-68.3-49.5177.1-650000112V35 V61 C63 Q70 L71 R72 R76 K77 V78V35-T74 HydrophobicContact CB-CG2 4.4Å; V35-T74 HydrophobicContact CG1-CG2 3.86Å; V35-T74 HydrophobicContact CG2-CG2 3.57Å; V61-T74 HydrophobicContact CB-CG2 4.12Å; V61-T74 HydrophobicContact CG1-CG2 3.88Å; C63-T74 HydrophobicContact CB-CG2 4.39Å; C63-T74 WeakPolarHBondContact CB-OG1 3.38Å; C63-T74 PolarHBondContact SG-OG1 2.94Å; Q70-T74 WeakPolarHBondContact O-CB 3.17Å; Q70-T74 PolarHBondContact O-N 2.92Å; Q70-T74 PolarHBondContact O-OG1 3.13Å; L71-T74 WeakPolarHBondContact O-CB 3.37Å; L71-T74 PolarHBondContact O-N 3.04Å; L71-T74 VanDerWaalsContact O-N 3.15Å; R72-T74 PolarHBondContact O-N 3.11Å; T74-R76 VanDerWaalsContact C-N 3.29Å; T74-R76 PolarHBondContact O-N 3.17Å; T74-K77 PolarHBondContact O-N 3.4Å; T74-V78 WeakPolarHBondContact O-CG2 3.44Å; T74-V78 PolarHBondContact O-N 3.41Å
75F98.9Very high98.6Very high0 Ų056.8 Ų56.80%028%0.282CS..Hα-helixtrans-57.2-44.9176.3-86.6-108.4000111.5L9 L71 R72 K77 V78 V79 L85 L88 G114 L117 Y121L9-F75 HydrophobicContact CD1-CD1 4.18Å; L9-F75 HydrophobicContact CD1-CD2 3.97Å; L9-F75 HydrophobicContact CD1-CE1 4.19Å; L9-F75 HydrophobicContact CD1-CE2 4Å; L9-F75 HydrophobicContact CD1-CG 4.09Å; L9-F75 HydrophobicContact CD1-CZ 4.12Å; L71-F75 HydrophobicContact CD1-CD2 4.26Å; L71-F75 HydrophobicContact CD1-CE2 3.87Å; L71-F75 HydrophobicContact CG-CD2 4.31Å; L71-F75 HydrophobicContact CG-CE2 4.07Å; L71-F75 WeakPolarHBondContact O-CD2 3.47Å; L71-F75 PolarHBondContact O-N 2.92Å; R72-F75 PolarHBondContact O-N 3.02Å; F75-K77 PolarHBondContact O-N 2.82Å; F75-V78 PolarHBondContact O-N 3.47Å; F75-V79 PolarHBondContact O-N 3.36Å; F75-L85 HydrophobicContact CD1-CD2 3.89Å; F75-L85 HydrophobicContact CE1-CD2 3.83Å; F75-L88 HydrophobicContact CE1-CD1 4.2Å; F75-L88 HydrophobicContact CE1-CD2 4.14Å; F75-L88 HydrophobicContact CZ-CD1 3.67Å; F75-L88 HydrophobicContact CZ-CD2 3.86Å; F75-L88 HydrophobicContact CZ-CG 4.42Å; F75-G114 WeakPolarHBondContact CZ-O 3.5Å; F75-L117 HydrophobicContact CD1-CB 3.8Å; F75-L117 HydrophobicContact CD2-CB 4.07Å; F75-L117 HydrophobicContact CD2-CD1 3.89Å; F75-L117 HydrophobicContact CE1-CB 3.74Å; F75-L117 HydrophobicContact CE2-CB 4.01Å; F75-L117 HydrophobicContact CE2-CD1 4.04Å; F75-L117 HydrophobicContact CG-CB 3.95Å; F75-L117 HydrophobicContact CG-CD1 4.38Å; F75-L117 HydrophobicContact CZ-CB 3.84Å; F75-Y121 HydrophobicContact CB-CD2 4.21Å; F75-Y121 HydrophobicContact CB-CE2 3.7Å; F75-Y121 AromaticContact CD1-CD2 3.99Å; F75-Y121 HydrophobicContact CD1-CD2 3.99Å; F75-Y121 HydrophobicContact CD1-CE2 4.32Å; F75-Y121 HydrophobicContact CG-CE2 4.45Å
76R98.8Very high98.6Very high102 Ų10256.3 Ų56.339%0.38528%0.279SS..Hα-helixtrans-57.2-51175.2-176-175.35875.2-4111.7R72 D73 T74 V78 V79 D80R72-R76 PolarHBondContact O-N 2.94Å; R72-R76 VanDerWaalsContact O-N 3.12Å; D73-R76 IonicContact OD1-NE 3.66Å; D73-R76 IonicContact OD1-NH2 3.12Å; T74-R76 VanDerWaalsContact C-N 3.29Å; T74-R76 PolarHBondContact O-N 3.17Å; R76-V78 VanDerWaalsContact C-N 3.29Å; R76-V78 PolarHBondContact O-N 3.18Å; R76-V79 PolarHBondContact O-N 3.49Å; R76-D80 WeakPolarHBondContact CG-OD2 3.43Å; R76-D80 IonicContact CZ-OD2 3.71Å; R76-D80 IonicContact NH1-OD2 2.68Å; R76-D80 PolarHBondContact NH1-OD2 3Å; R76-D80 WeakPolarHBondContact O-CB 3.28Å; R76-D80 PolarHBondContact O-N 3.39Å
77K98.9Very high98.7Very high97 Ų9754.7 Ų54.742%0.42227%0.265SS..Hα-helixtrans-57.9-39.7178.5-74.2168.1-176175.50112.8V61 D73 T74 F75 H81V61-K77 HydrophobicContact CG1-CD 4.05Å; D73-K77 VanDerWaalsContact O-CG 3.25Å; D73-K77 WeakPolarHBondContact O-CG 3.27Å; D73-K77 PolarHBondContact O-N 3.16Å; T74-K77 PolarHBondContact O-N 3.4Å; F75-K77 PolarHBondContact O-N 2.82Å; K77-H81 VanDerWaalsContact O-CB 3.23Å; K77-H81 WeakPolarHBondContact O-CB 3.24Å; K77-H81 PolarHBondContact O-N 2.83Å
78V98.8Very high98.7Very high1 Ų151.8 Ų51.81%0.00625%0.25CC..Hα-helixtrans-64.6-46.3179.1171.20000110.8V7 L9 A33 L59 V61 T74 F75 R76 H81 F82V7-V78 HydrophobicContact CG1-CG1 4.38Å; L9-V78 HydrophobicContact CD1-CB 4.3Å; L9-V78 HydrophobicContact CD1-CG1 4.38Å; L9-V78 HydrophobicContact CD1-CG2 3.92Å; L9-V78 HydrophobicContact CG-CG2 4.35Å; A33-V78 HydrophobicContact CB-CB 4.25Å; A33-V78 HydrophobicContact CB-CG1 3.8Å; A33-V78 HydrophobicContact CB-CG2 3.39Å; L59-V78 HydrophobicContact CD2-CG2 4.32Å; V61-V78 HydrophobicContact CG2-CG2 4.49Å; T74-V78 WeakPolarHBondContact O-CG2 3.44Å; T74-V78 PolarHBondContact O-N 3.41Å; F75-V78 PolarHBondContact O-N 3.47Å; R76-V78 VanDerWaalsContact C-N 3.29Å; R76-V78 PolarHBondContact O-N 3.18Å; V78-H81 PolarHBondContact O-N 3.39Å; V78-F82 HydrophobicContact CG1-CD2 4.17Å; V78-F82 PolarHBondContact O-N 3.46Å
79V98.6Very high98.7Very high28 Ų2847.2 Ų47.217%0.1723%0.228CC..Hα-helixtrans-69.5-40.8178.2175.90000111.4F75 R76 H81 G83 L85 Y121F75-V79 PolarHBondContact O-N 3.36Å; R76-V79 PolarHBondContact O-N 3.49Å; V79-H81 PolarHBondContact O-N 2.87Å; V79-G83 WeakPolarHBondContact O-CA 3.46Å; V79-G83 PolarHBondContact O-N 2.78Å; V79-L85 HydrophobicContact CG2-CB 4.15Å; V79-Y121 HydrophobicContact CB-CD1 4.31Å; V79-Y121 HydrophobicContact CB-CE1 4.16Å; V79-Y121 HydrophobicContact CG1-CD1 4.26Å; V79-Y121 HydrophobicContact CG1-CE1 4.26Å; V79-Y121 HydrophobicContact CG2-CD1 3.67Å; V79-Y121 HydrophobicContact CG2-CE1 3.91Å; V79-Y121 HydrophobicContact CG2-CG 4.15Å
80D98.7Very high98.8Very high108 Ų10841.2 Ų41.258%0.57820%0.203SC*.Hα-helixtrans-58.7-37.2174.7-69.7-14.8000111.3R76R76-D80 WeakPolarHBondContact CG-OD2 3.43Å; R76-D80 IonicContact CZ-OD2 3.71Å; R76-D80 IonicContact NH1-OD2 2.68Å; R76-D80 PolarHBondContact NH1-OD2 3Å; R76-D80 WeakPolarHBondContact O-CB 3.28Å; R76-D80 PolarHBondContact O-N 3.39Å
81H98.7Very high98.8Very high106 Ų10638.8 Ų38.849%0.49119%0.192SC..Hα-helixtrans-80.8-46.3-177.4-176.683.6000113.4L59 K77 V78 V79L59-H81 HydrophobicContact CD2-CB 3.84Å; K77-H81 VanDerWaalsContact O-CB 3.23Å; K77-H81 WeakPolarHBondContact O-CB 3.24Å; K77-H81 PolarHBondContact O-N 2.83Å; V78-H81 PolarHBondContact O-N 3.39Å; V79-H81 PolarHBondContact O-N 2.87Å
82F98.6Very high98.8Very high22 Ų2239.3 Ų39.310%0.09620%0.196CC..Hα-helixtrans-99.7-11.4-174.9-68.3-55.1000114.6V7 K31 A33 L59 V78 R84V7-F82 HydrophobicContact CB-CB 4.38Å; V7-F82 HydrophobicContact CG1-CB 3.73Å; V7-F82 HydrophobicContact CG1-CD2 3.56Å; V7-F82 HydrophobicContact CG1-CE2 4.4Å; V7-F82 HydrophobicContact CG1-CG 3.87Å; V7-F82 HydrophobicContact CG2-CB 3.71Å; V7-F82 HydrophobicContact CG2-CG 4.25Å; K31-F82 HydrophobicContact CB-CD1 4.07Å; K31-F82 HydrophobicContact CB-CE1 3.83Å; K31-F82 HydrophobicContact CB-CZ 4.1Å; K31-F82 HydrophobicContact CD-CD1 3.64Å; K31-F82 HydrophobicContact CD-CE1 3.9Å; K31-F82 HydrophobicContact CD-CG 4.5Å; K31-F82 HydrophobicContact CG-CD1 4.47Å; K31-F82 HydrophobicContact CG-CE1 4.35Å; A33-F82 HydrophobicContact CB-CE2 4.2Å; L59-F82 HydrophobicContact CB-CE2 3.73Å; L59-F82 HydrophobicContact CB-CZ 3.72Å; L59-F82 HydrophobicContact CD2-CE2 4.32Å; V78-F82 HydrophobicContact CG1-CD2 4.17Å; V78-F82 PolarHBondContact O-N 3.46Å; F82-R84 VanDerWaalsContact C-N 3.27Å; F82-R84 PolarHBondContact O-N 2.86Å
83G98.3Very high98.7Very high64 Ų6434.9 Ų34.966%0.6619%0.187SC*.SBendtrans80.3-5.6179.300000115.4V79V79-G83 WeakPolarHBondContact O-CA 3.46Å; V79-G83 PolarHBondContact O-N 2.78Å
84R98.1Very high98.7Very high81 Ų8135 Ų3531%0.30619%0.189SC..  trans-160.5168-178.364.1-169.8-67.3129.84.3111.7V7 F82 D86 E129V7-R84 HydrophobicContact CB-CG 4.07Å; V7-R84 WeakPolarHBondContact CB-O 3.33Å; V7-R84 WeakPolarHBondContact CG1-O 3.15Å; V7-R84 HydrophobicContact CG2-CG 3.48Å; V7-R84 VanDerWaalsContact CG2-CG 3.48Å; F82-R84 VanDerWaalsContact C-N 3.27Å; F82-R84 PolarHBondContact O-N 2.86Å; R84-D86 IonicContact CZ-OD1 3.81Å; R84-D86 IonicContact CZ-OD2 2.71Å; R84-D86 IonicContact NE-OD1 3.69Å; R84-D86 PolarHBondContact NE-OD1 3.4Å; R84-D86 IonicContact NE-OD2 3.99Å; R84-D86 PolarHBondContact NE-OD2 3.48Å; R84-D86 IonicContact NH2-OD1 3.75Å; R84-D86 PolarHBondContact NH2-OD1 2.97Å; R84-D86 IonicContact NH2-OD2 3.99Å; R84-E129 IonicContact CZ-OE2 3.48Å; R84-E129 IonicContact NH1-OE1 2.81Å; R84-E129 IonicContact NH1-OE2 3.24Å; R84-E129 PolarHBondContact NH1-OE2 3.36Å; R84-E129 IonicContact NH2-OE2 2.84Å; R84-E129 PolarHBondContact NH2-OE2 3.49Å
85L98.8Very high98.7Very high13 Ų1335 Ų357%0.06819%0.19CC..  trans-136.5130.9166.6-179.764.4000107.9L9 F75 V79 I87 M122L9-L85 HydrophobicContact CB-CD1 3.77Å; F75-L85 HydrophobicContact CD1-CD2 3.89Å; F75-L85 HydrophobicContact CE1-CD2 3.83Å; V79-L85 HydrophobicContact CG2-CB 4.15Å; L85-I87 WeakPolarHBondContact CD1-O 3.35Å; L85-M122 HydrophobicContact CB-CG 4.3Å; L85-M122 HydrophobicContact CD2-CG 4.2Å; L85-M122 HydrophobicContact CD2-SD 4.26Å; L85-M122 HydrophobicContact CG-CG 4.08Å; L85-M122 HydrophobicContact CG-SD 3.94Å; L85-M122 WeakPolarHBondContact O-CG 3.45Å
86D98.9Very high98.6Very high2 Ų236 Ų361%0.01120%0.195CC..  trans-122.8-33.7-178.3-62.1-91.2000112.6K6 V7 R84 G131 V132K6-D86 HydrophobicContact CB-CB 4.05Å; K6-D86 HydrophobicContact CD-CB 3.8Å; K6-D86 VanDerWaalsContact CD-CG 3.47Å; K6-D86 WeakPolarHBondContact CD-OD1 3.38Å; K6-D86 HydrophobicContact CG-CB 4.4Å; K6-D86 IonicContact NZ-OD1 3.28Å; K6-D86 PolarHBondContact NZ-OD1 2.93Å; V7-D86 PolarHBondContact N-OD2 2.74Å; V7-D86 PolarHBondContact O-N 2.99Å; R84-D86 IonicContact CZ-OD1 3.81Å; R84-D86 IonicContact CZ-OD2 2.71Å; R84-D86 IonicContact NE-OD1 3.69Å; R84-D86 PolarHBondContact NE-OD1 3.4Å; R84-D86 IonicContact NE-OD2 3.99Å; R84-D86 PolarHBondContact NE-OD2 3.48Å; R84-D86 IonicContact NH2-OD1 3.75Å; R84-D86 PolarHBondContact NH2-OD1 2.97Å; R84-D86 IonicContact NH2-OD2 3.99Å; D86-G131 CarbonylContact O-C 3.42Å; D86-G131 WeakPolarHBondContact O-CA 3.44Å; D86-V132 PolarHBondContact O-N 3.45Å
87I98.9Very high98.6Very high0 Ų031.8 Ų31.80%018%0.179CC..EExtended strand (participates in β ladder)trans-128.7125.9-174.8-60.5157000108.1K6 V7 A8 L9 L25 L85 V89 V132 I233K6-I87 HydrophobicContact CB-CD1 3.87Å; V7-I87 PolarHBondContact O-N 3.05Å; A8-I87 CarbonylContact C-O 3.46Å; A8-I87 VanDerWaalsContact CA-O 3.24Å; A8-I87 WeakPolarHBondContact CA-O 3.46Å; A8-I87 HydrophobicContact CB-CB 3.84Å; A8-I87 HydrophobicContact CB-CD1 4.38Å; A8-I87 HydrophobicContact CB-CG2 4.07Å; L9-I87 PolarHBondContact N-O 3.24Å; L25-I87 HydrophobicContact CD2-CD1 4.1Å; L85-I87 WeakPolarHBondContact CD1-O 3.35Å; I87-V89 HydrophobicContact CG2-CG2 3.99Å; I87-V132 WeakPolarHBondContact CA-O 3.22Å; I87-V132 HydrophobicContact CB-CG1 4.28Å; I87-V132 HydrophobicContact CG1-CG1 3.76Å; I87-V132 HydrophobicContact CG2-CG1 4.23Å; I87-I233 HydrophobicContact CD1-CD1 4.17Å; I87-I233 HydrophobicContact CD1-CG2 4.03Å; I87-I233 HydrophobicContact CG1-CG2 4.34Å; I87-I233 HydrophobicContact CG2-CD1 4.04Å; I87-I233 HydrophobicContact CG2-CG1 4.49Å
88L98.9Very high98.5Very high0 Ų031.9 Ų31.90%018%0.18CC..EExtended strand (participates in β ladder)trans-116.3127.5169.417163.2000109.1L9 F75 G114 M122 V132 I133 I134L9-L88 HydrophobicContact CB-CD1 4.25Å; L9-L88 HydrophobicContact CD2-CD1 3.78Å; L9-L88 HydrophobicContact CG-CD1 4.45Å; F75-L88 HydrophobicContact CE1-CD1 4.2Å; F75-L88 HydrophobicContact CE1-CD2 4.14Å; F75-L88 HydrophobicContact CZ-CD1 3.67Å; F75-L88 HydrophobicContact CZ-CD2 3.86Å; F75-L88 HydrophobicContact CZ-CG 4.42Å; L88-G114 WeakPolarHBondContact CD2-O 3.35Å; L88-M122 HydrophobicContact CB-CE 4.05Å; L88-V132 PolarHBondContact N-O 3.16Å; L88-I133 HydrophobicContact CB-CG1 4.19Å; L88-I133 HydrophobicContact CB-CG2 4.47Å; L88-I133 HydrophobicContact CD2-CD1 4.37Å; L88-I133 HydrophobicContact CD2-CG1 4.29Å; L88-I133 HydrophobicContact CD2-CG2 4.07Å; L88-I133 HydrophobicContact CG-CG2 4.32Å; L88-I133 CarbonylContact O-C 3.39Å; L88-I133 WeakPolarHBondContact O-CA 3.21Å; L88-I134 PolarHBondContact O-N 2.94Å
89V99Very high98.5Very high0 Ų035.7 Ų35.70%020%0.2CC..EExtended strand (participates in β ladder)trans-117.4101.8172.8-169.20000109.1L9 V10 T11 F21 I87 N91 I134 L229L9-V89 PolarHBondContact O-N 2.77Å; V10-V89 HydrophobicContact CB-CB 4.45Å; V10-V89 HydrophobicContact CG1-CB 4.23Å; V10-V89 HydrophobicContact CG2-CB 4.15Å; V10-V89 HydrophobicContact CG2-CG2 4.13Å; T11-V89 PolarHBondContact N-O 3.37Å; T11-V89 PolarHBondContact OG1-O 2.94Å; F21-V89 HydrophobicContact CD2-CG1 3.63Å; F21-V89 HydrophobicContact CE2-CG1 3.71Å; I87-V89 HydrophobicContact CG2-CG2 3.99Å; V89-N91 VanDerWaalsContact C-N 3.35Å; V89-N91 HydrophobicContact CG1-CB 3.99Å; V89-N91 PolarHBondContact O-N 3.44Å; V89-N91 VanDerWaalsContact O-N 3.08Å; V89-I134 CarbonylContact C-O 3.47Å; V89-I134 WeakPolarHBondContact CA-O 3.1Å; V89-I134 HydrophobicContact CG1-CB 4.42Å; V89-I134 HydrophobicContact CG2-CB 4.46Å; V89-L229 HydrophobicContact CG1-CD1 4.48Å; V89-L229 HydrophobicContact CG2-CD1 3.84Å; V89-L229 HydrophobicContact CG2-CD2 4.2Å
90N98.9Very high98.5Very high4 Ų439.6 Ų39.62%0.02121%0.212CC..EExtended strand (participates in β ladder)trans-79.986.2172.3-64.3-53.3000108.4V111 T115 I134 N135 M136N90-V111 HydrophobicContact CB-CB 4.45Å; N90-V111 HydrophobicContact CB-CG1 4.16Å; N90-V111 HydrophobicContact CB-CG2 4.16Å; N90-T115 PolarHBondContact ND2-OG1 3.39Å; N90-T115 VanDerWaalsContact ND2-OG1 3.15Å; N90-I134 PolarHBondContact N-O 3.33Å; N90-N135 WeakPolarHBondContact CB-OD1 3.43Å; N90-N135 PolarHBondContact ND2-OD1 3.41Å; N90-M136 WeakPolarHBondContact O-CB 3.3Å; N90-M136 PolarHBondContact O-N 3.32Å
91N98.9Very high98.5Very high21 Ų2139.4 Ų39.411%0.11221%0.207CC..  trans-107.1-27.5-174.8159.689.4000114.4T11 G12 G18 F21 V89 G93 M136T11-N91 CarbonylContact O-C 3.56Å; T11-N91 WeakPolarHBondContact O-CB 3.31Å; T11-N91 PolarHBondContact O-ND2 2.95Å; T11-N91 PolarHBondContact OG1-N 3.3Å; G12-N91 PolarHBondContact O-ND2 3.47Å; G18-N91 VanDerWaalsContact CA-ND2 3.28Å; G18-N91 WeakPolarHBondContact CA-ND2 3.36Å; G18-N91 PolarHBondContact N-ND2 3.33Å; F21-N91 HydrophobicContact CD2-CB 4.25Å; F21-N91 HydrophobicContact CE2-CB 4.16Å; V89-N91 VanDerWaalsContact C-N 3.35Å; V89-N91 HydrophobicContact CG1-CB 3.99Å; V89-N91 PolarHBondContact O-N 3.44Å; V89-N91 VanDerWaalsContact O-N 3.08Å; N91-G93 PolarHBondContact O-N 3.46Å; N91-M136 HydrophobicContact CB-CB 4.5Å; N91-M136 HydrophobicContact CB-CG 3.63Å
92A98.6Very high98.5Very high13 Ų1339 Ų3911%0.10721%0.206CC..  trans-50.2132.8179.700000111.7T11 V65T11-A92 PolarHBondContact O-N 3.09Å; T11-A92 PolarHBondContact OG1-N 3.21Å; V65-A92 HydrophobicContact CG1-CB 4.16Å; V65-A92 HydrophobicContact CG2-CB 3.91Å
93G98.2Very high98.5Very high24 Ų2438 Ų3825%0.24720%0.201CC..  trans-168.4156.2-17900000112.4N91 N107N91-G93 PolarHBondContact O-N 3.46Å; G93-N107 WeakPolarHBondContact CA-OD1 3.26Å
94V98.4Very high98.5Very high46 Ų4637.2 Ų37.228%0.27918%0.182SC..  trans-132.7158.6-179.9-62.60000110.8I106 N107 Y151V94-I106 HydrophobicContact CG1-CD1 4.03Å; V94-I106 HydrophobicContact CG1-CG2 4.42Å; V94-I106 HydrophobicContact CG2-CB 4.27Å; V94-I106 HydrophobicContact CG2-CD1 3.98Å; V94-I106 HydrophobicContact CG2-CG2 4.38Å; V94-N107 PolarHBondContact N-OD1 2.94Å; V94-N107 PolarHBondContact O-ND2 3.43Å; V94-N107 PolarHBondContact O-OD1 3Å; V94-Y151 VanDerWaalsContact O-CD2 3.3Å; V94-Y151 WeakPolarHBondContact O-CD2 3.36Å; V94-Y151 WeakPolarHBondContact O-CE2 3.25Å
95N97.8Very high98.5Very high4 Ų437.6 Ų37.62%0.02119%0.187CC..  trans-113.6107.2164.3171.252.7000108.2Q148 Y151 I190 S193 N199 M200N95-Q148 PolarHBondContact OD1-NE2 3.48Å; N95-Y151 HydrophobicContact CB-CD2 4.46Å; N95-I190 HydrophobicContact CB-CG2 4.18Å; N95-S193 WeakPolarHBondContact CB-OG 3.21Å; N95-S193 PolarHBondContact ND2-OG 3.09Å; N95-N199 PolarHBondContact O-ND2 3.32Å; N95-M200 PolarHBondContact ND2-SD 2.99Å
96N98Very high98.5Very high21 Ų2137.9 Ų37.911%0.11219%0.188CC..  trans-152.498.1174-163.8-28.8000110K98 N99 W100 T103 E198 N199N96-K98 WeakPolarHBondContact OD1-CA 3.41Å; N96-K98 WeakPolarHBondContact OD1-CB 3.47Å; N96-K98 PolarHBondContact OD1-N 3.46Å; N96-N99 CarbonylContact O-C 3.59Å; N96-N99 PolarHBondContact OD1-N 2.81Å; N96-W100 WeakPolarHBondContact O-CA 3.27Å; N96-T103 PolarHBondContact N-OG1 2.89Å; N96-T103 PolarHBondContact O-OG1 2.73Å; N96-E198 PolarHBondContact OD1-O 3.42Å; N96-N199 CarbonylContact C-O 3.56Å; N96-N199 WeakPolarHBondContact CA-O 3.03Å; N96-N199 PolarHBondContact OD1-O 3.11Å
97E98.1Very high98.5Very high12 Ų1237.8 Ų37.86%0.05619%0.188CC..SBendtrans-80.2-17.7174.6-65.4-64.9144.100112.6Q148 P149 V150 Y151 N199 Y203E97-Q148 VanDerWaalsContact OE1-CA 3.29Å; E97-Q148 WeakPolarHBondContact OE1-CA 3.33Å; E97-P149 WeakPolarHBondContact OE2-CD 3.43Å; E97-V150 PolarHBondContact OE1-N 2.63Å; E97-V150 WeakPolarHBondContact OE2-CB 3.42Å; E97-V150 WeakPolarHBondContact OE2-CG2 3.36Å; E97-V150 PolarHBondContact OE2-N 2.93Å; E97-Y151 WeakPolarHBondContact OE1-CB 3.37Å; E97-Y151 PolarHBondContact OE1-N 3.05Å; E97-N199 PolarHBondContact N-O 3.21Å; E97-Y203 HydrophobicContact CB-CD2 3.62Å; E97-Y203 HydrophobicContact CB-CE2 3.79Å; E97-Y203 HydrophobicContact CG-CD2 3.84Å; E97-Y203 HydrophobicContact CG-CE2 4.09Å
98K97.6Very high98.5Very high99 Ų9939.5 Ų39.543%0.4320%0.197SC..THydrogen-bonded Turntrans-75.1-48.3174.1-165.4168.1-172163.70111N96 E197 N199N96-K98 WeakPolarHBondContact OD1-CA 3.41Å; N96-K98 WeakPolarHBondContact OD1-CB 3.47Å; N96-K98 PolarHBondContact OD1-N 3.46Å; K98-E197 IonicContact NZ-OE1 2.85Å; K98-E197 PolarHBondContact NZ-OE1 3.14Å; K98-N199 PolarHBondContact N-O 3.45Å
99N97.8Very high98.5Very high82 Ų8242 Ų4244%0.43921%0.212SC..THydrogen-bonded Turntrans-101.359.2173.6-62.3-7.1000110.1N96 E101 Q102 T103N96-N99 CarbonylContact O-C 3.59Å; N96-N99 PolarHBondContact OD1-N 2.81Å; N99-E101 VanDerWaalsContact C-N 3.35Å; N99-E101 PolarHBondContact O-N 3.26Å; N99-Q102 WeakPolarHBondContact O-CB 3.47Å; N99-Q102 PolarHBondContact O-N 2.96Å; N99-T103 PolarHBondContact O-N 3.11Å
100W98.6Very high98.5Very high110 Ų11042.3 Ų42.342%0.41721%0.214SC..Hα-helixtrans-69.3-27.8-16764.2-95000114.1N96 Q102 T103 L104 V150N96-W100 WeakPolarHBondContact O-CA 3.27Å; W100-Q102 VanDerWaalsContact C-N 3.29Å; W100-Q102 PolarHBondContact O-N 3.4Å; W100-T103 VanDerWaalsContact O-CB 3.32Å; W100-T103 WeakPolarHBondContact O-CB 3.25Å; W100-T103 PolarHBondContact O-N 2.87Å; W100-T103 VanDerWaalsContact O-N 3.16Å; W100-L104 HydrophobicContact CE3-CD1 3.87Å; W100-L104 HydrophobicContact CZ3-CD1 3.77Å; W100-L104 PolarHBondContact O-N 2.84Å; W100-V150 HydrophobicContact CB-CB 3.94Å; W100-V150 HydrophobicContact CB-CG1 3.74Å; W100-V150 HydrophobicContact CB-CG2 3.79Å; W100-V150 HydrophobicContact CD2-CG2 4.49Å; W100-V150 HydrophobicContact CE3-CG1 4.13Å; W100-V150 HydrophobicContact CG-CG2 4.2Å
101E98.7Very high98.5Very high103 Ų10342.2 Ų42.248%0.48121%0.214SC..Hα-helixtrans-61.7-42.5174.6-64.987158.400110.4N99 T103 L104 Q105N99-E101 VanDerWaalsContact C-N 3.35Å; N99-E101 PolarHBondContact O-N 3.26Å; E101-T103 VanDerWaalsContact C-N 3.3Å; E101-T103 PolarHBondContact O-N 3.26Å; E101-L104 PolarHBondContact O-N 2.9Å; E101-L104 VanDerWaalsContact O-N 3.16Å; E101-Q105 WeakPolarHBondContact O-CG 3.32Å; E101-Q105 PolarHBondContact O-N 3.2Å
102Q98.3Very high98.5Very high99 Ų9943.4 Ų43.446%0.46322%0.22SC..Hα-helixtrans-64.5-38176.3-170.4177.629.400110.9N99 W100 L104 Q105 I106N99-Q102 WeakPolarHBondContact O-CB 3.47Å; N99-Q102 PolarHBondContact O-N 2.96Å; W100-Q102 VanDerWaalsContact C-N 3.29Å; W100-Q102 PolarHBondContact O-N 3.4Å; Q102-L104 VanDerWaalsContact C-N 3.32Å; Q102-L104 PolarHBondContact O-N 2.84Å; Q102-Q105 PolarHBondContact O-N 2.69Å; Q102-I106 HydrophobicContact CG-CD1 3.82Å; Q102-I106 HydrophobicContact CG-CG1 4.4Å; Q102-I106 WeakPolarHBondContact O-CG1 3.16Å; Q102-I106 PolarHBondContact O-N 2.85Å
103T98.7Very high98.5Very high0 Ų043.7 Ų43.70%022%0.221CC..Hα-helixtrans-57.9-43.2172.1-68.80000111.5N96 N99 W100 E101 N107N96-T103 PolarHBondContact N-OG1 2.89Å; N96-T103 PolarHBondContact O-OG1 2.73Å; N99-T103 PolarHBondContact O-N 3.11Å; W100-T103 VanDerWaalsContact O-CB 3.32Å; W100-T103 WeakPolarHBondContact O-CB 3.25Å; W100-T103 PolarHBondContact O-N 2.87Å; W100-T103 VanDerWaalsContact O-N 3.16Å; E101-T103 VanDerWaalsContact C-N 3.3Å; E101-T103 PolarHBondContact O-N 3.26Å; T103-N107 WeakPolarHBondContact O-CB 3.31Å; T103-N107 PolarHBondContact O-N 2.76Å
104L98.9Very high98.6Very high47 Ų4742.5 Ų42.525%0.24621%0.209CC..Hα-helixtrans-68-40.7175.8-68.5175.5000112.7W100 E101 Q102 I106 L108 V109 V150W100-L104 HydrophobicContact CE3-CD1 3.87Å; W100-L104 HydrophobicContact CZ3-CD1 3.77Å; W100-L104 PolarHBondContact O-N 2.84Å; E101-L104 PolarHBondContact O-N 2.9Å; E101-L104 VanDerWaalsContact O-N 3.16Å; Q102-L104 VanDerWaalsContact C-N 3.32Å; Q102-L104 PolarHBondContact O-N 2.84Å; L104-I106 PolarHBondContact O-N 2.94Å; L104-L108 WeakPolarHBondContact O-CB 3.42Å; L104-L108 PolarHBondContact O-N 2.93Å; L104-V109 PolarHBondContact O-N 2.93Å; L104-V150 HydrophobicContact CD1-CG1 4.19Å; L104-V150 HydrophobicContact CD2-CG1 3.89Å; L104-V150 HydrophobicContact CG-CG1 3.72Å
105Q98.8Very high98.6Very high89 Ų8940.3 Ų40.342%0.41620%0.196SC..Iπ-helixtrans-60.2-47.1177.6-70.6-59.5-32.500111.4A66 E101 Q102 V109 S110A66-Q105 HydrophobicContact CB-CB 4.26Å; E101-Q105 WeakPolarHBondContact O-CG 3.32Å; E101-Q105 PolarHBondContact O-N 3.2Å; Q102-Q105 PolarHBondContact O-N 2.69Å; Q105-V109 WeakPolarHBondContact O-CB 3.37Å; Q105-S110 PolarHBondContact O-N 2.96Å
106I98.8Very high98.6Very high19 Ų1946.3 Ų46.310%0.09722%0.219CC..Iπ-helixtrans-74.6-54.1179.9-63.6170.7000110.5V65 A66 V94 Q102 L104 L108 S110V65-I106 HydrophobicContact CG2-CG2 4.17Å; A66-I106 HydrophobicContact CB-CG1 4.09Å; V94-I106 HydrophobicContact CG1-CD1 4.03Å; V94-I106 HydrophobicContact CG1-CG2 4.42Å; V94-I106 HydrophobicContact CG2-CB 4.27Å; V94-I106 HydrophobicContact CG2-CD1 3.98Å; V94-I106 HydrophobicContact CG2-CG2 4.38Å; Q102-I106 HydrophobicContact CG-CD1 3.82Å; Q102-I106 HydrophobicContact CG-CG1 4.4Å; Q102-I106 WeakPolarHBondContact O-CG1 3.16Å; Q102-I106 PolarHBondContact O-N 2.85Å; L104-I106 PolarHBondContact O-N 2.94Å; I106-L108 PolarHBondContact O-N 2.87Å; I106-S110 WeakPolarHBondContact O-CB 3.39Å; I106-S110 PolarHBondContact O-OG 3.14Å
107N98.9Very high98.7Very high0 Ų046 Ų460%022%0.217CC..Iπ-helixtrans-77-27-167.9-66.74.3000113.7G93 V94 T103 V111 Y151 S154 I158G93-N107 WeakPolarHBondContact CA-OD1 3.26Å; V94-N107 PolarHBondContact N-OD1 2.94Å; V94-N107 PolarHBondContact O-ND2 3.43Å; V94-N107 PolarHBondContact O-OD1 3Å; T103-N107 WeakPolarHBondContact O-CB 3.31Å; T103-N107 PolarHBondContact O-N 2.76Å; N107-V111 WeakPolarHBondContact O-CG2 3.49Å; N107-Y151 WeakPolarHBondContact ND2-CD2 3.37Å; N107-Y151 WeakPolarHBondContact ND2-CE2 3.42Å; N107-S154 WeakPolarHBondContact CB-OG 3.35Å; N107-S154 PolarHBondContact ND2-OG 3.24Å; N107-I158 WeakPolarHBondContact O-CD1 3.36Å
108L98.9Very high98.7Very high37 Ų3745.4 Ų45.419%0.19421%0.214CC..Iπ-helixtrans-118.1-56.6-174.1-18059.8000112.3L104 I106 S110 V111 I112 I158L104-L108 WeakPolarHBondContact O-CB 3.42Å; L104-L108 PolarHBondContact O-N 2.93Å; I106-L108 PolarHBondContact O-N 2.87Å; L108-S110 VanDerWaalsContact C-N 3.35Å; L108-S110 PolarHBondContact O-N 2.89Å; L108-V111 PolarHBondContact O-N 3.17Å; L108-I112 HydrophobicContact CD1-CD1 4.01Å; L108-I112 HydrophobicContact CD1-CG1 4.46Å; L108-I112 HydrophobicContact CG-CD1 4.18Å; L108-I112 WeakPolarHBondContact O-CG1 3.47Å; L108-I112 PolarHBondContact O-N 3.1Å; L108-I112 VanDerWaalsContact O-N 3.08Å; L108-I158 HydrophobicContact CD1-CG1 4.11Å
109V98.9Very high98.8Very high51 Ų5141.6 Ų41.631%0.30920%0.199SC..Iπ-helixtrans-63-43.1-175.7-179.60000110.8L104 Q105 V111 I112 S113L104-V109 PolarHBondContact O-N 2.93Å; Q105-V109 WeakPolarHBondContact O-CB 3.37Å; V109-V111 VanDerWaalsContact C-N 3.33Å; V109-V111 PolarHBondContact O-N 2.79Å; V109-I112 PolarHBondContact O-N 3.13Å; V109-S113 WeakPolarHBondContact O-CB 3.5Å; V109-S113 PolarHBondContact O-N 3.34Å
110S98.9Very high98.8Very high7 Ų742 Ų425%0.04920%0.201CC..Hα-helixtrans-66-33.217890.60000113.2V65 Q105 I106 L108 S113 G114V65-S110 VanDerWaalsContact O-CB 3.23Å; V65-S110 WeakPolarHBondContact O-CB 3.4Å; Q105-S110 PolarHBondContact O-N 2.96Å; I106-S110 WeakPolarHBondContact O-CB 3.39Å; I106-S110 PolarHBondContact O-OG 3.14Å; L108-S110 VanDerWaalsContact C-N 3.35Å; L108-S110 PolarHBondContact O-N 2.89Å; S110-S113 PolarHBondContact O-N 3.25Å; S110-G114 PolarHBondContact O-N 2.86Å
111V98.9Very high98.8Very high2 Ų240.8 Ų40.81%0.01220%0.197CC..Hα-helixtrans-65.8-43.5175.7173.30000110.5N90 N107 L108 V109 T115 N135 I158N90-V111 HydrophobicContact CB-CB 4.45Å; N90-V111 HydrophobicContact CB-CG1 4.16Å; N90-V111 HydrophobicContact CB-CG2 4.16Å; N107-V111 WeakPolarHBondContact O-CG2 3.49Å; L108-V111 PolarHBondContact O-N 3.17Å; V109-V111 VanDerWaalsContact C-N 3.33Å; V109-V111 PolarHBondContact O-N 2.79Å; V111-T115 WeakPolarHBondContact O-CB 3.46Å; V111-T115 PolarHBondContact O-N 3.14Å; V111-T115 PolarHBondContact O-OG1 2.85Å; V111-N135 HydrophobicContact CG1-CB 3.94Å; V111-I158 HydrophobicContact CG1-CG1 4.33Å; V111-I158 HydrophobicContact CG1-CG2 4.4Å; V111-I158 HydrophobicContact CG2-CD1 4.22Å; V111-I158 HydrophobicContact CG2-CG1 4.43Å
112I98.9Very high98.8Very high47 Ų4736 Ų3624%0.24117%0.174CC..Hα-helixtrans-63.3-48.9175.6-65.1168.2000109.9L108 V109 T115 Y116 F161L108-I112 HydrophobicContact CD1-CD1 4.01Å; L108-I112 HydrophobicContact CD1-CG1 4.46Å; L108-I112 HydrophobicContact CG-CD1 4.18Å; L108-I112 WeakPolarHBondContact O-CG1 3.47Å; L108-I112 PolarHBondContact O-N 3.1Å; L108-I112 VanDerWaalsContact O-N 3.08Å; V109-I112 PolarHBondContact O-N 3.13Å; I112-T115 PolarHBondContact O-N 2.85Å; I112-Y116 HydrophobicContact CG2-CD2 3.88Å; I112-Y116 HydrophobicContact CG2-CE2 3.45Å; I112-Y116 VanDerWaalsContact CG2-CE2 3.45Å; I112-Y116 PolarHBondContact O-N 3.21Å; I112-F161 HydrophobicContact CB-CE1 4.38Å; I112-F161 HydrophobicContact CB-CE2 4.33Å; I112-F161 HydrophobicContact CB-CZ 4.14Å; I112-F161 HydrophobicContact CD1-CD2 4.48Å; I112-F161 HydrophobicContact CG1-CD1 3.92Å; I112-F161 HydrophobicContact CG1-CD2 3.9Å; I112-F161 HydrophobicContact CG1-CE1 3.99Å; I112-F161 HydrophobicContact CG1-CE2 3.97Å; I112-F161 HydrophobicContact CG1-CG 3.87Å; I112-F161 HydrophobicContact CG1-CZ 4.01Å; I112-F161 HydrophobicContact CG2-CE2 3.95Å; I112-F161 HydrophobicContact CG2-CZ 4.05Å
113S98.9Very high98.9Very high18 Ų1831.5 Ų31.513%0.12615%0.154CC..Hα-helixtrans-61.8-47.3-179.9-173.80000112.1V109 S110 T115 Y116 L117V109-S113 WeakPolarHBondContact O-CB 3.5Å; V109-S113 PolarHBondContact O-N 3.34Å; S110-S113 PolarHBondContact O-N 3.25Å; S113-T115 VanDerWaalsContact C-N 3.35Å; S113-T115 PolarHBondContact O-N 2.9Å; S113-Y116 PolarHBondContact O-N 2.98Å; S113-L117 WeakPolarHBondContact O-CG 3.36Å; S113-L117 PolarHBondContact O-N 3.38Å
114G98.9Very high98.9Very high0 Ų037.2 Ų37.20%018%0.179CC..Hα-helixtrans-62.6-40.9176.500000111.9F75 L88 S110 L117 G118F75-G114 WeakPolarHBondContact CZ-O 3.5Å; L88-G114 WeakPolarHBondContact CD2-O 3.35Å; S110-G114 PolarHBondContact O-N 2.86Å; G114-L117 PolarHBondContact O-N 3.2Å; G114-G118 PolarHBondContact O-N 3.08Å
115T98.9Very high98.8Very high0 Ų040.9 Ų40.90%020%0.195CC..Hα-helixtrans-60.9-45.4175.2-64.40000112N90 V111 I112 S113 G118 L119 I133 N135 F161 L178N90-T115 PolarHBondContact ND2-OG1 3.39Å; N90-T115 VanDerWaalsContact ND2-OG1 3.15Å; V111-T115 WeakPolarHBondContact O-CB 3.46Å; V111-T115 PolarHBondContact O-N 3.14Å; V111-T115 PolarHBondContact O-OG1 2.85Å; I112-T115 PolarHBondContact O-N 2.85Å; S113-T115 VanDerWaalsContact C-N 3.35Å; S113-T115 PolarHBondContact O-N 2.9Å; T115-G118 PolarHBondContact O-N 2.81Å; T115-L119 HydrophobicContact CG2-CD1 4.49Å; T115-L119 WeakPolarHBondContact O-CG 3.48Å; T115-L119 PolarHBondContact O-N 3.21Å; T115-I133 HydrophobicContact CG2-CD1 3.9Å; T115-I133 HydrophobicContact CG2-CG2 4.33Å; T115-N135 PolarHBondContact OG1-OD1 2.84Å; T115-F161 HydrophobicContact CG2-CE1 3.74Å; T115-F161 HydrophobicContact CG2-CZ 3.63Å; T115-L178 HydrophobicContact CG2-CD2 3.46Å; T115-L178 VanDerWaalsContact CG2-CD2 3.46Å
116Y98.9Very high98.7Very high129 Ų12941.2 Ų41.251%0.50620%0.199SC..Hα-helixtrans-64.5-41.5176.7-68.8-31.1000112.3I112 S113 G118 L119 D120 F161I112-Y116 HydrophobicContact CG2-CD2 3.88Å; I112-Y116 HydrophobicContact CG2-CE2 3.45Å; I112-Y116 VanDerWaalsContact CG2-CE2 3.45Å; I112-Y116 PolarHBondContact O-N 3.21Å; S113-Y116 PolarHBondContact O-N 2.98Å; Y116-G118 VanDerWaalsContact C-N 3.3Å; Y116-G118 PolarHBondContact O-N 3.39Å; Y116-L119 HydrophobicContact CD1-CD1 4.26Å; Y116-L119 WeakPolarHBondContact O-CB 3.3Å; Y116-L119 PolarHBondContact O-N 2.95Å; Y116-L119 VanDerWaalsContact O-N 3.12Å; Y116-D120 PolarHBondContact O-N 3.24Å; Y116-F161 HydrophobicContact CE1-CE2 4.17Å; Y116-F161 HydrophobicContact CE1-CZ 4.34Å
117L98.9Very high98.7Very high15 Ų1543.8 Ų43.88%0.07923%0.231CC..Hα-helixtrans-61.8-39.6172.1-67.6170.1000111.8L71 R72 F75 S113 G114 L119 D120 Y121L71-L117 HydrophobicContact CB-CD1 4.33Å; L71-L117 HydrophobicContact CD2-CD1 3.99Å; L71-L117 HydrophobicContact CG-CD1 3.74Å; R72-L117 HydrophobicContact CG-CD1 4.03Å; R72-L117 HydrophobicContact CG-CD2 3.62Å; R72-L117 HydrophobicContact CG-CG 4.46Å; F75-L117 HydrophobicContact CD1-CB 3.8Å; F75-L117 HydrophobicContact CD2-CB 4.07Å; F75-L117 HydrophobicContact CD2-CD1 3.89Å; F75-L117 HydrophobicContact CE1-CB 3.74Å; F75-L117 HydrophobicContact CE2-CB 4.01Å; F75-L117 HydrophobicContact CE2-CD1 4.04Å; F75-L117 HydrophobicContact CG-CB 3.95Å; F75-L117 HydrophobicContact CG-CD1 4.38Å; F75-L117 HydrophobicContact CZ-CB 3.84Å; S113-L117 WeakPolarHBondContact O-CG 3.36Å; S113-L117 PolarHBondContact O-N 3.38Å; G114-L117 PolarHBondContact O-N 3.2Å; L117-L119 VanDerWaalsContact C-N 3.33Å; L117-L119 PolarHBondContact O-N 3.03Å; L117-D120 WeakPolarHBondContact O-CB 3.3Å; L117-D120 PolarHBondContact O-N 3.34Å; L117-Y121 VanDerWaalsContact O-CD2 3.3Å; L117-Y121 WeakPolarHBondContact O-CD2 3.26Å; L117-Y121 PolarHBondContact O-N 3.18Å
118G98.9Very high98.6Very high0 Ų044.8 Ų44.80%024%0.241CC..Hα-helixtrans-56.8-46.3171.900000112.1G114 T115 Y116 D120 Y121 M122G114-G118 PolarHBondContact O-N 3.08Å; T115-G118 PolarHBondContact O-N 2.81Å; Y116-G118 VanDerWaalsContact C-N 3.3Å; Y116-G118 PolarHBondContact O-N 3.39Å; G118-D120 VanDerWaalsContact C-N 3.35Å; G118-Y121 PolarHBondContact O-N 3.37Å; G118-M122 WeakPolarHBondContact O-CB 3.28Å; G118-M122 WeakPolarHBondContact O-CE 3.4Å; G118-M122 VanDerWaalsContact O-CG 3.25Å; G118-M122 WeakPolarHBondContact O-CG 3.2Å; G118-M122 PolarHBondContact O-N 2.94Å
119L98.9Very high98.6Very high19 Ų1949.3 Ų49.310%0.09926%0.261CS..Hα-helixtrans-64.8-36.8176.1-69.6172.5000112.5T115 Y116 L117 Y121 S123 N126 I133 V176T115-L119 HydrophobicContact CG2-CD1 4.49Å; T115-L119 WeakPolarHBondContact O-CG 3.48Å; T115-L119 PolarHBondContact O-N 3.21Å; Y116-L119 HydrophobicContact CD1-CD1 4.26Å; Y116-L119 WeakPolarHBondContact O-CB 3.3Å; Y116-L119 PolarHBondContact O-N 2.95Å; Y116-L119 VanDerWaalsContact O-N 3.12Å; L117-L119 VanDerWaalsContact C-N 3.33Å; L117-L119 PolarHBondContact O-N 3.03Å; L119-Y121 VanDerWaalsContact C-N 3.3Å; L119-Y121 PolarHBondContact O-N 2.85Å; L119-S123 WeakPolarHBondContact O-CB 3.37Å; L119-S123 PolarHBondContact O-N 2.98Å; L119-N126 PolarHBondContact O-ND2 3.18Å; L119-I133 HydrophobicContact CD2-CD1 4.3Å; L119-I133 HydrophobicContact CG-CD1 4.14Å; L119-V176 HydrophobicContact CD2-CB 3.78Å; L119-V176 HydrophobicContact CD2-CG1 3.85Å; L119-V176 HydrophobicContact CD2-CG2 4.02Å
120D98.8Very high98.5Very high89 Ų8947.2 Ų47.248%0.47625%0.249SC..Hα-helixtrans-57-43.7176.5-70-21.4000111.6Y116 L117 G118 N126Y116-D120 PolarHBondContact O-N 3.24Å; L117-D120 WeakPolarHBondContact O-CB 3.3Å; L117-D120 PolarHBondContact O-N 3.34Å; G118-D120 VanDerWaalsContact C-N 3.35Å; D120-N126 WeakPolarHBondContact CA-ND2 3.34Å; D120-N126 VanDerWaalsContact O-CB 3.22Å; D120-N126 WeakPolarHBondContact O-CB 3.02Å; D120-N126 PolarHBondContact O-ND2 3.22Å
121Y98.8Very high98.5Very high86 Ų8647 Ų4734%0.33725%0.248SC..Hα-helixtrans-87.7-33.3-179-74.2-81000114.5F75 V79 L117 G118 L119F75-Y121 HydrophobicContact CB-CD2 4.21Å; F75-Y121 HydrophobicContact CB-CE2 3.7Å; F75-Y121 AromaticContact CD1-CD2 3.99Å; F75-Y121 HydrophobicContact CD1-CD2 3.99Å; F75-Y121 HydrophobicContact CD1-CE2 4.32Å; F75-Y121 HydrophobicContact CG-CE2 4.45Å; V79-Y121 HydrophobicContact CB-CD1 4.31Å; V79-Y121 HydrophobicContact CB-CE1 4.16Å; V79-Y121 HydrophobicContact CG1-CD1 4.26Å; V79-Y121 HydrophobicContact CG1-CE1 4.26Å; V79-Y121 HydrophobicContact CG2-CD1 3.67Å; V79-Y121 HydrophobicContact CG2-CE1 3.91Å; V79-Y121 HydrophobicContact CG2-CG 4.15Å; L117-Y121 VanDerWaalsContact O-CD2 3.3Å; L117-Y121 WeakPolarHBondContact O-CD2 3.26Å; L117-Y121 PolarHBondContact O-N 3.18Å; G118-Y121 PolarHBondContact O-N 3.37Å; L119-Y121 VanDerWaalsContact C-N 3.3Å; L119-Y121 PolarHBondContact O-N 2.85Å
122M98.8Very high98.5Very high1 Ų146.9 Ų46.91%0.00525%0.247CC..Hα-helixtrans-97.1-24.2-170.7-61.2-171.4-68.700113.7L85 L88 G118 K124 G130 I133 V176L85-M122 HydrophobicContact CB-CG 4.3Å; L85-M122 HydrophobicContact CD2-CG 4.2Å; L85-M122 HydrophobicContact CD2-SD 4.26Å; L85-M122 HydrophobicContact CG-CG 4.08Å; L85-M122 HydrophobicContact CG-SD 3.94Å; L85-M122 WeakPolarHBondContact O-CG 3.45Å; L88-M122 HydrophobicContact CB-CE 4.05Å; G118-M122 WeakPolarHBondContact O-CB 3.28Å; G118-M122 WeakPolarHBondContact O-CE 3.4Å; G118-M122 VanDerWaalsContact O-CG 3.25Å; G118-M122 WeakPolarHBondContact O-CG 3.2Å; G118-M122 PolarHBondContact O-N 2.94Å; M122-K124 PolarHBondContact O-N 3.08Å; M122-G130 CarbonylContact O-C 3.57Å; M122-G130 WeakPolarHBondContact O-CA 3.25Å; M122-G130 PolarHBondContact O-N 3.26Å; M122-I133 HydrophobicContact CE-CD1 3.7Å; M122-I133 HydrophobicContact CE-CG1 3.33Å; M122-V176 HydrophobicContact CB-CG2 3.75Å; M122-V176 HydrophobicContact CE-CG1 4.23Å
123S98.8Very high98.5Very high6 Ų644.6 Ų44.64%0.04224%0.236CC..  trans-64.7135-175.2-179.80000112.1L119 Q125 N126 G127 G128 S174L119-S123 WeakPolarHBondContact O-CB 3.37Å; L119-S123 PolarHBondContact O-N 2.98Å; S123-Q125 PolarHBondContact O-N 3.02Å; S123-Q125 PolarHBondContact OG-N 3.45Å; S123-N126 CarbonylContact O-C 3.5Å; S123-N126 PolarHBondContact O-N 3.21Å; S123-G127 PolarHBondContact O-N 2.76Å; S123-G128 WeakPolarHBondContact O-CA 3.39Å; S123-G128 PolarHBondContact O-N 3.12Å; S123-S174 WeakPolarHBondContact OG-CB 3.21Å
124K98.4Very high98.5Very high120 Ų12043.8 Ų43.852%0.52223%0.23SC..G310 helixtrans-58.5-27.9170.8-69-180178.8-178.70113.1M122 N126 G127 G128 E129 S174M122-K124 PolarHBondContact O-N 3.08Å; K124-N126 PolarHBondContact O-N 3.25Å; K124-G127 PolarHBondContact O-N 2.94Å; K124-G128 WeakPolarHBondContact CA-O 3.38Å; K124-E129 WeakPolarHBondContact CE-O 3.42Å; K124-S174 WeakPolarHBondContact CG-O 3.38Å; K124-S174 PolarHBondContact N-O 2.88Å
125Q97.4Very high98.5Very high124 Ų12443.8 Ų43.858%0.57923%0.23SC*.G310 helixtrans-69.2-21.5175.7-56.1-53.6-44.500112.5S123 M172S123-Q125 PolarHBondContact O-N 3.02Å; S123-Q125 PolarHBondContact OG-N 3.45Å; Q125-M172 WeakPolarHBondContact CG-O 3.19Å; Q125-M172 PolarHBondContact NE2-O 3.04Å; Q125-M172 VanDerWaalsContact NE2-O 3.08Å
126N97.8Very high98.5Very high95 Ų9544.2 Ų44.251%0.50823%0.232SC..G310 helixtrans-106.113.2179.7-62-23.6000112.3L119 D120 S123 K124L119-N126 PolarHBondContact O-ND2 3.18Å; D120-N126 WeakPolarHBondContact CA-ND2 3.34Å; D120-N126 VanDerWaalsContact O-CB 3.22Å; D120-N126 WeakPolarHBondContact O-CB 3.02Å; D120-N126 PolarHBondContact O-ND2 3.22Å; S123-N126 CarbonylContact O-C 3.5Å; S123-N126 PolarHBondContact O-N 3.21Å; K124-N126 PolarHBondContact O-N 3.25Å
127G97.8Very high98.5Very high74 Ų7438.2 Ų38.276%0.76321%0.209SC*.THydrogen-bonded Turntrans84.35.3-178.700000115.3S123 K124S123-G127 PolarHBondContact O-N 2.76Å; K124-G127 PolarHBondContact O-N 2.94Å
128G97.9Very high98.5Very high20 Ų2038.4 Ų38.421%0.20621%0.211CC..  trans-75.5178.4169.600000112.9S123 K124S123-G128 WeakPolarHBondContact O-CA 3.39Å; S123-G128 PolarHBondContact O-N 3.12Å; K124-G128 WeakPolarHBondContact CA-O 3.38Å
129E97.4Very high98.5Very high133 Ų13340.2 Ų40.262%0.62122%0.221SC*.  trans-102.31.2-177.7-67.3178.7-172.100113.4R84 K124R84-E129 IonicContact CZ-OE2 3.48Å; R84-E129 IonicContact NH1-OE1 2.81Å; R84-E129 IonicContact NH1-OE2 3.24Å; R84-E129 PolarHBondContact NH1-OE2 3.36Å; R84-E129 IonicContact NH2-OE2 2.84Å; R84-E129 PolarHBondContact NH2-OE2 3.49Å; K124-E129 WeakPolarHBondContact CE-O 3.42Å
130G98.4Very high98.4Very high6 Ų639.5 Ų39.56%0.06222%0.218CC..  trans92-178.2-162.100000111.6M122 G175M122-G130 CarbonylContact O-C 3.57Å; M122-G130 WeakPolarHBondContact O-CA 3.25Å; M122-G130 PolarHBondContact O-N 3.26Å; G130-G175 WeakPolarHBondContact CA-O 3.48Å
131G98.7Very high98.4Very high2 Ų235.4 Ų35.42%0.02120%0.197CC..EExtended strand (participates in β ladder)trans173.6-170-174.300000113D86 G175 V176 R177D86-G131 CarbonylContact O-C 3.42Å; D86-G131 WeakPolarHBondContact O-CA 3.44Å; G131-G175 PolarHBondContact N-O 3.34Å; G131-G175 VanDerWaalsContact N-O 3.11Å; G131-V176 CarbonylContact O-C 3.53Å; G131-V176 WeakPolarHBondContact O-CA 3.19Å; G131-R177 PolarHBondContact O-N 3.07Å
132V98.9Very high98.4Very high0 Ų033.6 Ų33.60%019%0.192CC..EExtended strand (participates in β ladder)trans-135.3131.9172.962.40000111M1 D86 I87 L88 I134 R177 I233M1-V132 HydrophobicContact SD-CG1 4.38Å; D86-V132 PolarHBondContact O-N 3.45Å; I87-V132 WeakPolarHBondContact CA-O 3.22Å; I87-V132 HydrophobicContact CB-CG1 4.28Å; I87-V132 HydrophobicContact CG1-CG1 3.76Å; I87-V132 HydrophobicContact CG2-CG1 4.23Å; L88-V132 PolarHBondContact N-O 3.16Å; V132-I134 HydrophobicContact CG2-CD1 3.74Å; V132-I134 HydrophobicContact CG2-CG1 4.17Å; V132-R177 CarbonylContact C-O 3.55Å; V132-R177 WeakPolarHBondContact CA-O 2.99Å; V132-R177 HydrophobicContact CG2-CB 4.26Å; V132-I233 HydrophobicContact CG1-CB 4.43Å; V132-I233 HydrophobicContact CG1-CG1 3.93Å; V132-I233 HydrophobicContact CG1-CG2 4.21Å
133I98.9Very high98.2Very high0 Ų037.4 Ų37.40%021%0.211CC..EExtended strand (participates in β ladder)trans-110.5126.4174.4-57.8178.5000108.2L88 T115 L119 M122 V176 R177 L178 N179L88-I133 HydrophobicContact CB-CG1 4.19Å; L88-I133 HydrophobicContact CB-CG2 4.47Å; L88-I133 HydrophobicContact CD2-CD1 4.37Å; L88-I133 HydrophobicContact CD2-CG1 4.29Å; L88-I133 HydrophobicContact CD2-CG2 4.07Å; L88-I133 HydrophobicContact CG-CG2 4.32Å; L88-I133 CarbonylContact O-C 3.39Å; L88-I133 WeakPolarHBondContact O-CA 3.21Å; T115-I133 HydrophobicContact CG2-CD1 3.9Å; T115-I133 HydrophobicContact CG2-CG2 4.33Å; L119-I133 HydrophobicContact CD2-CD1 4.3Å; L119-I133 HydrophobicContact CG-CD1 4.14Å; M122-I133 HydrophobicContact CE-CD1 3.7Å; M122-I133 HydrophobicContact CE-CG1 3.33Å; I133-V176 HydrophobicContact CD1-CG1 3.86Å; I133-V176 HydrophobicContact CG1-CG1 3.82Å; I133-R177 PolarHBondContact N-O 3.38Å; I133-L178 HydrophobicContact CB-CD2 4.21Å; I133-L178 HydrophobicContact CB-CG 4.09Å; I133-L178 HydrophobicContact CD1-CD2 3.99Å; I133-L178 HydrophobicContact CD1-CG 4.34Å; I133-L178 HydrophobicContact CG2-CD2 4.49Å; I133-L178 WeakPolarHBondContact O-CA 3.49Å; I133-N179 PolarHBondContact O-N 3.21Å
134I98.9Very high98.1Very high0 Ų042.2 Ų42.20%024%0.243CC..EExtended strand (participates in β ladder)trans-118118.8178.4-53.7-68.3000108.5L88 V89 N90 V132 N179 I181 L229 L232L88-I134 PolarHBondContact O-N 2.94Å; V89-I134 CarbonylContact C-O 3.47Å; V89-I134 WeakPolarHBondContact CA-O 3.1Å; V89-I134 HydrophobicContact CG1-CB 4.42Å; V89-I134 HydrophobicContact CG2-CB 4.46Å; N90-I134 PolarHBondContact N-O 3.33Å; V132-I134 HydrophobicContact CG2-CD1 3.74Å; V132-I134 HydrophobicContact CG2-CG1 4.17Å; I134-N179 WeakPolarHBondContact CA-O 3.23Å; I134-N179 HydrophobicContact CD1-CB 4.01Å; I134-I181 HydrophobicContact CG2-CD1 3.73Å; I134-I181 HydrophobicContact CG2-CG1 3.91Å; I134-L229 HydrophobicContact CB-CD1 3.95Å; I134-L229 HydrophobicContact CG1-CD1 3.67Å; I134-L229 HydrophobicContact CG2-CD1 3.87Å; I134-L232 HydrophobicContact CD1-CB 3.65Å; I134-L232 HydrophobicContact CD1-CD1 3.82Å; I134-L232 HydrophobicContact CD1-CG 4.35Å; I134-L232 HydrophobicContact CG2-CD1 4.46Å
135N98.9Very high98Very high0 Ų037.4 Ų37.40%022%0.222CC..EExtended strand (participates in β ladder)trans-104.6128.9-179.6-66-29000110.8N90 V111 T115 S137 I158 T162 N179 A180 I181N90-N135 WeakPolarHBondContact CB-OD1 3.43Å; N90-N135 PolarHBondContact ND2-OD1 3.41Å; V111-N135 HydrophobicContact CG1-CB 3.94Å; T115-N135 PolarHBondContact OG1-OD1 2.84Å; N135-S137 PolarHBondContact O-N 3.18Å; N135-I158 HydrophobicContact CB-CG2 3.73Å; N135-T162 PolarHBondContact ND2-OG1 3.15Å; N135-N179 PolarHBondContact N-O 2.86Å; N135-A180 WeakPolarHBondContact O-CA 3.4Å; N135-A180 WeakPolarHBondContact O-CB 3.15Å; N135-I181 PolarHBondContact O-N 3.3Å; N135-I181 VanDerWaalsContact O-N 3.1Å
136M98.9Very high98Very high9 Ų935.1 Ų35.14%0.04423%0.225CC..EExtended strand (participates in β ladder)trans-82103.1177.3-70.7-55.9-61.500111.8I17 F21 N90 N91 K155 I158 I181 P183 I225I17-M136 HydrophobicContact CD1-CE 4.31Å; I17-M136 HydrophobicContact CG2-CE 4.14Å; F21-M136 HydrophobicContact CE2-CE 4.47Å; F21-M136 HydrophobicContact CE2-CG 4.05Å; F21-M136 HydrophobicContact CE2-SD 3.59Å; F21-M136 VanDerWaalsContact CE2-SD 3.59Å; F21-M136 HydrophobicContact CZ-CE 4.23Å; F21-M136 HydrophobicContact CZ-SD 3.56Å; F21-M136 VanDerWaalsContact CZ-SD 3.56Å; N90-M136 WeakPolarHBondContact O-CB 3.3Å; N90-M136 PolarHBondContact O-N 3.32Å; N91-M136 HydrophobicContact CB-CB 4.5Å; N91-M136 HydrophobicContact CB-CG 3.63Å; M136-K155 PolarHBondContact O-NZ 3.04Å; M136-I158 VanDerWaalsContact O-CD1 3.25Å; M136-I158 WeakPolarHBondContact O-CD1 3.21Å; M136-I181 HydrophobicContact CE-CB 4.31Å; M136-I181 HydrophobicContact CE-CG2 4.33Å; M136-I181 HydrophobicContact SD-CB 3.85Å; M136-I181 HydrophobicContact SD-CD1 4.27Å; M136-I181 HydrophobicContact SD-CG1 4.49Å; M136-I181 HydrophobicContact SD-CG2 4.41Å; M136-P183 HydrophobicContact CE-CG 3.6Å; M136-I225 HydrophobicContact CE-CG2 4.16Å
137S98.8Very high97.9Very high4 Ų431 Ų313%0.02820%0.202CC..  trans-91.8-145.4165.6-168.90000110.4N135 K155 I159 I181N135-S137 PolarHBondContact O-N 3.18Å; S137-K155 PolarHBondContact OG-O 3.03Å; S137-I159 WeakPolarHBondContact OG-CD1 3.37Å; S137-I181 CarbonylContact C-O 3.5Å; S137-I181 WeakPolarHBondContact CA-O 3.38Å; S137-I181 PolarHBondContact N-O 2.88Å
138S98.7Very high97.9Very high18 Ų1828.3 Ų28.313%0.12617%0.17CC..  trans-163.3164.4178.7177.20000108.3A140 G141S138-A140 PolarHBondContact O-N 3.09Å; S138-A140 PolarHBondContact OG-N 3.28Å; S138-G141 WeakPolarHBondContact O-CA 3.18Å; S138-G141 PolarHBondContact O-N 3.25Å
139L98.1Very high98Very high38 Ų3829.7 Ų29.720%0.19918%0.175CC..G310 helixtrans-54.9-29.1159.6-69.2-177.3000111.8G141 L142 M143 P183 K244 T246L139-G141 PolarHBondContact O-N 3.17Å; L139-L142 PolarHBondContact O-N 3.27Å; L139-M143 HydrophobicContact CB-SD 4.5Å; L139-M143 VanDerWaalsContact O-CG 3.23Å; L139-M143 WeakPolarHBondContact O-CG 3.49Å; L139-M143 PolarHBondContact O-N 3.48Å; L139-P183 PolarHBondContact N-O 3.45Å; L139-K244 HydrophobicContact CD2-CB 4.32Å; L139-K244 HydrophobicContact CD2-CD 4.11Å; L139-K244 HydrophobicContact CD2-CG 3.94Å; L139-T246 HydrophobicContact CD1-CG2 3.79Å
140A97.6Very high98Very high4 Ų424.8 Ų24.83%0.03315%0.154CC..G310 helixtrans-62-7170.300000114S138 I145 Y151 C152 H156S138-A140 PolarHBondContact O-N 3.09Å; S138-A140 PolarHBondContact OG-N 3.28Å; A140-I145 HydrophobicContact CB-CG1 3.78Å; A140-Y151 HydrophobicContact CB-CD1 4.01Å; A140-Y151 HydrophobicContact CB-CE1 3.95Å; A140-C152 WeakPolarHBondContact O-CA 3.42Å; A140-C152 PolarHBondContact O-SG 3.12Å; A140-H156 PolarHBondContact O-CE1 3.37Å; A140-H156 PolarHBondContact O-ND1 2.89Å
141G98.3Very high98Very high3 Ų325.7 Ų25.73%0.03116%0.156CC..G310 helixtrans-89.1-7.7169.100000114.5S138 L139 K155 H156 I159S138-G141 WeakPolarHBondContact O-CA 3.18Å; S138-G141 PolarHBondContact O-N 3.25Å; L139-G141 PolarHBondContact O-N 3.17Å; G141-K155 VanDerWaalsContact CA-C 3.5Å; G141-H156 WeakPolarHBondContact CA-ND1 3.5Å; G141-H156 PolarHBondContact O-CD2 3.42Å; G141-H156 VanDerWaalsContact O-CG 3.27Å; G141-H156 PolarHBondContact O-NE2 3.4Å; G141-I159 WeakPolarHBondContact O-CD1 3.42Å
142L97.9Very high98Very high48 Ų4826.3 Ų26.325%0.25116%0.16SC..THydrogen-bonded Turntrans-123.4-12.7-176-64.3175000113.1L139 I159 C182 I242 K244 Q254 Y256L139-L142 PolarHBondContact O-N 3.27Å; L142-I159 HydrophobicContact CD2-CD1 3.65Å; L142-I159 HydrophobicContact CG-CD1 3.78Å; L142-C182 HydrophobicContact CD1-CB 4.28Å; L142-I242 HydrophobicContact CD1-CG2 4.28Å; L142-I242 HydrophobicContact CD2-CG2 4.43Å; L142-K244 HydrophobicContact CD1-CD 3.76Å; L142-K244 HydrophobicContact CD1-CG 3.79Å; L142-Q254 HydrophobicContact CD1-CB 4.27Å; L142-Q254 HydrophobicContact CD1-CG 4.3Å; L142-Q254 HydrophobicContact CD2-CG 4.1Å; L142-Y256 WeakPolarHBondContact CD2-OH 3.31Å
143M96Very high98Very high81 Ų8128.8 Ų28.840%0.39918%0.18SC..SBendtrans-146.7153.4178.759.2178.3-75.100110L139 I145L139-M143 HydrophobicContact CB-SD 4.5Å; L139-M143 VanDerWaalsContact O-CG 3.23Å; L139-M143 WeakPolarHBondContact O-CG 3.49Å; L139-M143 PolarHBondContact O-N 3.48Å; M143-I145 HydrophobicContact CE-CD1 4.27Å
144P96.5Very high98Very high108 Ų10828.8 Ų28.870%0.70118%0.18SC*.  trans-70.4144.417829.2-35000111.5
145I96.1Very high98Very high19 Ų1929.1 Ų29.110%0.09718%0.182CC..  trans-124.7106.2166.2-56.1-64.9000107.1A140 M143 Q147 Q148 M213A140-I145 HydrophobicContact CB-CG1 3.78Å; M143-I145 HydrophobicContact CE-CD1 4.27Å; I145-Q147 PolarHBondContact O-N 3.42Å; I145-Q147 VanDerWaalsContact O-N 3.14Å; I145-Q148 HydrophobicContact CB-CB 4.45Å; I145-Q148 HydrophobicContact CG2-CB 4.03Å; I145-Q148 HydrophobicContact CG2-CG 4.14Å; I145-Q148 CarbonylContact O-C 3.55Å; I145-Q148 PolarHBondContact O-N 3.19Å; I145-Q148 VanDerWaalsContact O-N 3.07Å; I145-M213 HydrophobicContact CD1-CE 4.37Å
146A96.5Very high98Very high76 Ų7632.8 Ų32.863%0.62820%0.199SC*.THydrogen-bonded Turntrans-60.3-28.7-170.600000113.3
147Q97.4Very high98Very high8 Ų833.6 Ų33.64%0.03721%0.209CC..THydrogen-bonded Turntrans-88.9-5.5-177-52.478.812.300113.1I145 M200 Y203 I210I145-Q147 PolarHBondContact O-N 3.42Å; I145-Q147 VanDerWaalsContact O-N 3.14Å; Q147-M200 HydrophobicContact CB-CE 4.08Å; Q147-M200 VanDerWaalsContact O-CE 3.29Å; Q147-M200 WeakPolarHBondContact O-CE 3.42Å; Q147-Y203 VanDerWaalsContact O-CB 3.26Å; Q147-Y203 WeakPolarHBondContact O-CB 3.46Å; Q147-I210 HydrophobicContact CB-CD1 3.58Å; Q147-I210 HydrophobicContact CB-CG1 4.11Å; Q147-I210 HydrophobicContact CG-CD1 4.06Å; Q147-I210 HydrophobicContact CG-CG1 4.08Å
148Q97.9Very high98Very high18 Ų1833.4 Ų33.48%0.08421%0.208CC..  trans-141.355.2-176.2-55.8178.2-85.800111.7N95 E97 I145 V150 Y151 C152 M200 I210N95-Q148 PolarHBondContact OD1-NE2 3.48Å; E97-Q148 VanDerWaalsContact OE1-CA 3.29Å; E97-Q148 WeakPolarHBondContact OE1-CA 3.33Å; I145-Q148 HydrophobicContact CB-CB 4.45Å; I145-Q148 HydrophobicContact CG2-CB 4.03Å; I145-Q148 HydrophobicContact CG2-CG 4.14Å; I145-Q148 CarbonylContact O-C 3.55Å; I145-Q148 PolarHBondContact O-N 3.19Å; I145-Q148 VanDerWaalsContact O-N 3.07Å; Q148-V150 PolarHBondContact O-N 3.11Å; Q148-Y151 PolarHBondContact O-N 3.44Å; Q148-C152 WeakPolarHBondContact O-CB 3.39Å; Q148-C152 PolarHBondContact O-N 2.83Å; Q148-M200 HydrophobicContact CG-CE 4.03Å; Q148-I210 HydrophobicContact CG-CD1 4.27Å
149P98.5Very high98.1Very high48 Ų4833 Ų3331%0.31220%0.204SC..Hα-helixtrans-65-35.9-171.824.4-33000113.7E97 C152 A153 Y203E97-P149 WeakPolarHBondContact OE2-CD 3.43Å; P149-C152 WeakPolarHBondContact O-CB 3.2Å; P149-A153 WeakPolarHBondContact O-CB 3.36Å; P149-A153 PolarHBondContact O-N 3.17Å; P149-Y203 HydrophobicContact CG-CE1 4.08Å; P149-Y203 HydrophobicContact CG-CE2 3.9Å; P149-Y203 VanDerWaalsContact CG-CZ 3.47Å; P149-Y203 WeakPolarHBondContact CG-OH 3.24Å
150V98.8Very high98.1Very high30 Ų3033 Ų3318%0.18221%0.213CC..Hα-helixtrans-77.2-40.7179.7-178.60000110.6E97 W100 L104 Q148 C152 A153 S154E97-V150 PolarHBondContact OE1-N 2.63Å; E97-V150 WeakPolarHBondContact OE2-CB 3.42Å; E97-V150 WeakPolarHBondContact OE2-CG2 3.36Å; E97-V150 PolarHBondContact OE2-N 2.93Å; W100-V150 HydrophobicContact CB-CB 3.94Å; W100-V150 HydrophobicContact CB-CG1 3.74Å; W100-V150 HydrophobicContact CB-CG2 3.79Å; W100-V150 HydrophobicContact CD2-CG2 4.49Å; W100-V150 HydrophobicContact CE3-CG1 4.13Å; W100-V150 HydrophobicContact CG-CG2 4.2Å; L104-V150 HydrophobicContact CD1-CG1 4.19Å; L104-V150 HydrophobicContact CD2-CG1 3.89Å; L104-V150 HydrophobicContact CG-CG1 3.72Å; Q148-V150 PolarHBondContact O-N 3.11Å; V150-C152 VanDerWaalsContact C-N 3.3Å; V150-C152 PolarHBondContact O-N 3.32Å; V150-A153 PolarHBondContact O-N 3.23Å; V150-S154 PolarHBondContact O-N 3.45Å
151Y98.7Very high98.1Very high26 Ų2634.1 Ų34.110%0.10222%0.218CC..Hα-helixtrans-55.9-48.3169.4-176.8-90.2000110.6V94 N95 E97 N107 A140 Q148 A153 S154 K155V94-Y151 VanDerWaalsContact O-CD2 3.3Å; V94-Y151 WeakPolarHBondContact O-CD2 3.36Å; V94-Y151 WeakPolarHBondContact O-CE2 3.25Å; N95-Y151 HydrophobicContact CB-CD2 4.46Å; E97-Y151 WeakPolarHBondContact OE1-CB 3.37Å; E97-Y151 PolarHBondContact OE1-N 3.05Å; N107-Y151 WeakPolarHBondContact ND2-CD2 3.37Å; N107-Y151 WeakPolarHBondContact ND2-CE2 3.42Å; A140-Y151 HydrophobicContact CB-CD1 4.01Å; A140-Y151 HydrophobicContact CB-CE1 3.95Å; Q148-Y151 PolarHBondContact O-N 3.44Å; Y151-A153 PolarHBondContact O-N 3.3Å; Y151-S154 WeakPolarHBondContact O-CB 3.25Å; Y151-S154 PolarHBondContact O-N 3.36Å; Y151-S154 VanDerWaalsContact O-N 3.13Å; Y151-S154 PolarHBondContact O-OG 3.42Å; Y151-K155 HydrophobicContact CD1-CG 4Å; Y151-K155 HydrophobicContact CE1-CD 4.47Å; Y151-K155 HydrophobicContact CE1-CG 3.61Å; Y151-K155 VanDerWaalsContact CZ-CE 3.47Å; Y151-K155 WeakPolarHBondContact O-CG 3.33Å; Y151-K155 PolarHBondContact O-N 2.91Å; Y151-K155 WeakPolarHBondContact OH-CE 3.45Å
152C98.7Very high98.2Very high14 Ų1434 Ų3410%0.09522%0.216CC..Hα-helixtrans-55.4-48.2175.5178.70000111.4A140 Q148 P149 V150 S154 K155 H156A140-C152 WeakPolarHBondContact O-CA 3.42Å; A140-C152 PolarHBondContact O-SG 3.12Å; Q148-C152 WeakPolarHBondContact O-CB 3.39Å; Q148-C152 PolarHBondContact O-N 2.83Å; P149-C152 WeakPolarHBondContact O-CB 3.2Å; V150-C152 VanDerWaalsContact C-N 3.3Å; V150-C152 PolarHBondContact O-N 3.32Å; C152-S154 PolarHBondContact O-N 2.97Å; C152-K155 PolarHBondContact O-N 3.16Å; C152-H156 PolarHBondContact O-N 3.05Å; C152-H156 PolarHBondContact O-ND1 3.11Å; C152-H156 PolarHBondContact SG-CE1 2.97Å; C152-H156 PolarHBondContact SG-ND1 3.03Å; C152-H156 VanDerWaalsContact SG-ND1 3.43Å
153A98.9Very high98.2Very high53 Ų5335.1 Ų35.144%0.43822%0.217SC..Hα-helixtrans-59.3-43.5175.600000112.3P149 V150 Y151 K155 H156 G157P149-A153 WeakPolarHBondContact O-CB 3.36Å; P149-A153 PolarHBondContact O-N 3.17Å; V150-A153 PolarHBondContact O-N 3.23Å; Y151-A153 PolarHBondContact O-N 3.3Å; A153-K155 VanDerWaalsContact C-N 3.33Å; A153-K155 PolarHBondContact O-N 3.09Å; A153-H156 PolarHBondContact O-N 3.39Å; A153-G157 PolarHBondContact O-N 3.05Å
154S98.9Very high98.3Very high0 Ų034.9 Ų34.90%022%0.223CC..Hα-helixtrans-59.7-43.2177.281.80000111.7N107 V150 Y151 C152 G157 I158N107-S154 WeakPolarHBondContact CB-OG 3.35Å; N107-S154 PolarHBondContact ND2-OG 3.24Å; V150-S154 PolarHBondContact O-N 3.45Å; Y151-S154 WeakPolarHBondContact O-CB 3.25Å; Y151-S154 PolarHBondContact O-N 3.36Å; Y151-S154 VanDerWaalsContact O-N 3.13Å; Y151-S154 PolarHBondContact O-OG 3.42Å; C152-S154 PolarHBondContact O-N 2.97Å; S154-G157 PolarHBondContact O-N 2.85Å; S154-I158 WeakPolarHBondContact O-CG1 3.47Å; S154-I158 PolarHBondContact O-N 3.24Å; S154-I158 VanDerWaalsContact O-N 3.14Å
155K98.8Very high98.4Very high6 Ų630.2 Ų30.23%0.02619%0.194CC..Hα-helixtrans-75.9-33.2-177.5-61.8-44.4-167.6174.20112.6M136 S137 G141 Y151 C152 A153 G157 I158 I159M136-K155 PolarHBondContact O-NZ 3.04Å; S137-K155 PolarHBondContact OG-O 3.03Å; G141-K155 VanDerWaalsContact CA-C 3.5Å; Y151-K155 HydrophobicContact CD1-CG 4Å; Y151-K155 HydrophobicContact CE1-CD 4.47Å; Y151-K155 HydrophobicContact CE1-CG 3.61Å; Y151-K155 VanDerWaalsContact CZ-CE 3.47Å; Y151-K155 WeakPolarHBondContact O-CG 3.33Å; Y151-K155 PolarHBondContact O-N 2.91Å; Y151-K155 WeakPolarHBondContact OH-CE 3.45Å; C152-K155 PolarHBondContact O-N 3.16Å; A153-K155 VanDerWaalsContact C-N 3.33Å; A153-K155 PolarHBondContact O-N 3.09Å; K155-G157 VanDerWaalsContact C-N 3.35Å; K155-I158 HydrophobicContact CD-CD1 3.62Å; K155-I158 PolarHBondContact O-N 3.35Å; K155-I159 PolarHBondContact O-N 3.42Å
156H98.9Very high98.5Very high77 Ų7729.5 Ų29.536%0.35619%0.191SC..Hα-helixtrans-62.8-43.2168.5-80.677.2000111A140 G141 C152 A153 I158 I159 G160A140-H156 PolarHBondContact O-CE1 3.37Å; A140-H156 PolarHBondContact O-ND1 2.89Å; G141-H156 WeakPolarHBondContact CA-ND1 3.5Å; G141-H156 PolarHBondContact O-CD2 3.42Å; G141-H156 VanDerWaalsContact O-CG 3.27Å; G141-H156 PolarHBondContact O-NE2 3.4Å; C152-H156 PolarHBondContact O-N 3.05Å; C152-H156 PolarHBondContact O-ND1 3.11Å; C152-H156 PolarHBondContact SG-CE1 2.97Å; C152-H156 PolarHBondContact SG-ND1 3.03Å; C152-H156 VanDerWaalsContact SG-ND1 3.43Å; A153-H156 PolarHBondContact O-N 3.39Å; H156-I158 VanDerWaalsContact C-N 3.32Å; H156-I158 PolarHBondContact O-N 3Å; H156-I159 PolarHBondContact O-N 3.31Å; H156-I159 VanDerWaalsContact O-N 3.13Å; H156-G160 PolarHBondContact O-N 2.99Å; H156-G160 VanDerWaalsContact O-N 3.14Å
157G98.9Very high98.6Very high26 Ų2631.2 Ų31.227%0.26819%0.187SC..Hα-helixtrans-56.9-43.1176.300000112.8A153 S154 K155 I159 G160 F161A153-G157 PolarHBondContact O-N 3.05Å; S154-G157 PolarHBondContact O-N 2.85Å; K155-G157 VanDerWaalsContact C-N 3.35Å; G157-I159 VanDerWaalsContact C-N 3.31Å; G157-I159 PolarHBondContact O-N 2.83Å; G157-G160 PolarHBondContact O-N 2.91Å; G157-F161 VanDerWaalsContact O-CB 3.24Å; G157-F161 WeakPolarHBondContact O-CB 3.37Å; G157-F161 PolarHBondContact O-N 2.95Å
158I98.9Very high98.6Very high0 Ų032.6 Ų32.60%020%0.2CC..Hα-helixtrans-60.4-39.6176.6-65.1166.9000111.8N107 L108 V111 N135 M136 S154 K155 H156 T162N107-I158 WeakPolarHBondContact O-CD1 3.36Å; L108-I158 HydrophobicContact CD1-CG1 4.11Å; V111-I158 HydrophobicContact CG1-CG1 4.33Å; V111-I158 HydrophobicContact CG1-CG2 4.4Å; V111-I158 HydrophobicContact CG2-CD1 4.22Å; V111-I158 HydrophobicContact CG2-CG1 4.43Å; N135-I158 HydrophobicContact CB-CG2 3.73Å; M136-I158 VanDerWaalsContact O-CD1 3.25Å; M136-I158 WeakPolarHBondContact O-CD1 3.21Å; S154-I158 WeakPolarHBondContact O-CG1 3.47Å; S154-I158 PolarHBondContact O-N 3.24Å; S154-I158 VanDerWaalsContact O-N 3.14Å; K155-I158 HydrophobicContact CD-CD1 3.62Å; K155-I158 PolarHBondContact O-N 3.35Å; H156-I158 VanDerWaalsContact C-N 3.32Å; H156-I158 PolarHBondContact O-N 3Å; I158-T162 VanDerWaalsContact O-CB 3.24Å; I158-T162 WeakPolarHBondContact O-CB 3.37Å; I158-T162 PolarHBondContact O-N 2.85Å; I158-T162 PolarHBondContact O-OG1 2.9Å
159I98.8Very high98.6Very high9 Ų931.8 Ų31.85%0.04620%0.197CC..Hα-helixtrans-67.6-48.9-179.4-75.2157000110.8S137 G141 L142 K155 H156 G157 F161 T162 R163 I242 Y256S137-I159 WeakPolarHBondContact OG-CD1 3.37Å; G141-I159 WeakPolarHBondContact O-CD1 3.42Å; L142-I159 HydrophobicContact CD2-CD1 3.65Å; L142-I159 HydrophobicContact CG-CD1 3.78Å; K155-I159 PolarHBondContact O-N 3.42Å; H156-I159 PolarHBondContact O-N 3.31Å; H156-I159 VanDerWaalsContact O-N 3.13Å; G157-I159 VanDerWaalsContact C-N 3.31Å; G157-I159 PolarHBondContact O-N 2.83Å; I159-F161 VanDerWaalsContact C-N 3.34Å; I159-F161 PolarHBondContact O-N 3.24Å; I159-T162 PolarHBondContact O-N 2.69Å; I159-R163 WeakPolarHBondContact O-CG 3.49Å; I159-R163 PolarHBondContact O-N 3.3Å; I159-R163 VanDerWaalsContact O-N 3.11Å; I159-I242 HydrophobicContact CG1-CD1 4.37Å; I159-I242 HydrophobicContact CG1-CG2 4.41Å; I159-I242 HydrophobicContact CG2-CD1 4.23Å; I159-I242 HydrophobicContact CG2-CG1 4.36Å; I159-Y256 WeakPolarHBondContact CG2-OH 3.46Å
160G98.7Very high98.5Very high38 Ų3834.6 Ų34.639%0.39221%0.209SC..Hα-helixtrans-58-47.6175.900000111.8H156 G157 S164H156-G160 PolarHBondContact O-N 2.99Å; H156-G160 VanDerWaalsContact O-N 3.14Å; G157-G160 PolarHBondContact O-N 2.91Å; G160-S164 WeakPolarHBondContact O-CB 3.41Å; G160-S164 PolarHBondContact O-N 3.44Å; G160-S164 VanDerWaalsContact O-N 3.11Å; G160-S164 PolarHBondContact O-OG 3.33Å
161F98.9Very high98.4Very high28 Ų2839.9 Ų39.912%0.12324%0.236CC..Hα-helixtrans-59.5-51.7176.9172.5-111.5000112.7I112 T115 Y116 G157 I159 R163 S164 A165I112-F161 HydrophobicContact CB-CE1 4.38Å; I112-F161 HydrophobicContact CB-CE2 4.33Å; I112-F161 HydrophobicContact CB-CZ 4.14Å; I112-F161 HydrophobicContact CD1-CD2 4.48Å; I112-F161 HydrophobicContact CG1-CD1 3.92Å; I112-F161 HydrophobicContact CG1-CD2 3.9Å; I112-F161 HydrophobicContact CG1-CE1 3.99Å; I112-F161 HydrophobicContact CG1-CE2 3.97Å; I112-F161 HydrophobicContact CG1-CG 3.87Å; I112-F161 HydrophobicContact CG1-CZ 4.01Å; I112-F161 HydrophobicContact CG2-CE2 3.95Å; I112-F161 HydrophobicContact CG2-CZ 4.05Å; T115-F161 HydrophobicContact CG2-CE1 3.74Å; T115-F161 HydrophobicContact CG2-CZ 3.63Å; Y116-F161 HydrophobicContact CE1-CE2 4.17Å; Y116-F161 HydrophobicContact CE1-CZ 4.34Å; G157-F161 VanDerWaalsContact O-CB 3.24Å; G157-F161 WeakPolarHBondContact O-CB 3.37Å; G157-F161 PolarHBondContact O-N 2.95Å; I159-F161 VanDerWaalsContact C-N 3.34Å; I159-F161 PolarHBondContact O-N 3.24Å; F161-R163 PolarHBondContact O-N 3.5Å; F161-S164 PolarHBondContact O-N 3.12Å; F161-A165 HydrophobicContact CE2-CB 4.31Å; F161-A165 HydrophobicContact CZ-CB 4.37Å; F161-A165 VanDerWaalsContact O-CB 3.32Å; F161-A165 WeakPolarHBondContact O-CB 3.41Å; F161-A165 PolarHBondContact O-N 2.97Å
162T98.9Very high98.3Very high0 Ų043.2 Ų43.20%025%0.253CS..Hα-helixtrans-62.6-44.2-175-57.20000111.7N135 I158 I159 S164 A165 A166 L178 N179 A180N135-T162 PolarHBondContact ND2-OG1 3.15Å; I158-T162 VanDerWaalsContact O-CB 3.24Å; I158-T162 WeakPolarHBondContact O-CB 3.37Å; I158-T162 PolarHBondContact O-N 2.85Å; I158-T162 PolarHBondContact O-OG1 2.9Å; I159-T162 PolarHBondContact O-N 2.69Å; T162-S164 VanDerWaalsContact C-N 3.34Å; T162-S164 PolarHBondContact O-N 3.36Å; T162-A165 PolarHBondContact O-N 2.83Å; T162-A166 WeakPolarHBondContact O-CB 3.47Å; T162-A166 PolarHBondContact O-N 2.74Å; T162-L178 HydrophobicContact CG2-CB 4.27Å; T162-N179 VanDerWaalsContact CG2-C 3.49Å; T162-A180 HydrophobicContact CG2-CB 4.14Å
163R98.5Very high98.3Very high72 Ų7250.5 Ų50.527%0.27228%0.283SS..Hα-helixtrans-62.9-42.3176.8-67.2179.467.2-151.8-1.4111.7I159 F161 M167 I242 Y256I159-R163 WeakPolarHBondContact O-CG 3.49Å; I159-R163 PolarHBondContact O-N 3.3Å; I159-R163 VanDerWaalsContact O-N 3.11Å; F161-R163 PolarHBondContact O-N 3.5Å; R163-M167 WeakPolarHBondContact O-CG 3.39Å; R163-M167 PolarHBondContact O-N 2.92Å; R163-I242 HydrophobicContact CG-CD1 3.89Å; R163-I242 HydrophobicContact CG-CG1 3.98Å; R163-Y256 VanDerWaalsContact NH1-CE1 3.31Å; R163-Y256 VanDerWaalsContact NH1-CG 3.35Å; R163-Y256 VanDerWaalsContact NH2-CB 3.29Å
164S98.6Very high98.2Very high76 Ų7648 Ų4853%0.53126%0.263SS..Hα-helixtrans-66.6-44.3179.1-54.80000111.6G160 F161 T162 M167 A168G160-S164 WeakPolarHBondContact O-CB 3.41Å; G160-S164 PolarHBondContact O-N 3.44Å; G160-S164 VanDerWaalsContact O-N 3.11Å; G160-S164 PolarHBondContact O-OG 3.33Å; F161-S164 PolarHBondContact O-N 3.12Å; T162-S164 VanDerWaalsContact C-N 3.34Å; T162-S164 PolarHBondContact O-N 3.36Å; S164-M167 PolarHBondContact O-N 3.38Å; S164-A168 PolarHBondContact O-N 3.21Å
165A98.6Very high98.2Very high11 Ų1149.8 Ų49.89%0.09128%0.281CS..Hα-helixtrans-67.3-35.3178.900000112.3F161 T162 A168 A169 L178F161-A165 HydrophobicContact CE2-CB 4.31Å; F161-A165 HydrophobicContact CZ-CB 4.37Å; F161-A165 VanDerWaalsContact O-CB 3.32Å; F161-A165 WeakPolarHBondContact O-CB 3.41Å; F161-A165 PolarHBondContact O-N 2.97Å; T162-A165 PolarHBondContact O-N 2.83Å; A165-A168 PolarHBondContact O-N 3.32Å; A165-A169 WeakPolarHBondContact O-CB 3.35Å; A165-A169 PolarHBondContact O-N 3.26Å; A165-L178 HydrophobicContact CB-CD2 3.77Å
166A98.5Very high98.2Very high3 Ų349.7 Ų49.73%0.02528%0.281CS..Hα-helixtrans-61-44.3171.800000112.6T162 A169 N170 L178 N239T162-A166 WeakPolarHBondContact O-CB 3.47Å; T162-A166 PolarHBondContact O-N 2.74Å; A166-A169 WeakPolarHBondContact O-CB 3.33Å; A166-A169 PolarHBondContact O-N 3.42Å; A166-N170 PolarHBondContact O-N 3.21Å; A166-L178 HydrophobicContact CB-CB 4.21Å; A166-N239 VanDerWaalsContact CB-OD1 3.26Å; A166-N239 WeakPolarHBondContact CB-OD1 3.29Å; A166-N239 PolarHBondContact O-ND2 3.29Å
167M97.8Very high98.2Very high112 Ų11247.1 Ų47.155%0.55227%0.268SS*.Hα-helixtrans-62.9-43.8174-68175.165.200111.3R163 S164 A169 N170 L171R163-M167 WeakPolarHBondContact O-CG 3.39Å; R163-M167 PolarHBondContact O-N 2.92Å; S164-M167 PolarHBondContact O-N 3.38Å; M167-A169 VanDerWaalsContact C-N 3.33Å; M167-A169 PolarHBondContact O-N 3.35Å; M167-N170 WeakPolarHBondContact O-CB 3.48Å; M167-N170 PolarHBondContact O-N 2.68Å; M167-L171 PolarHBondContact O-N 3.28Å
168A98.1Very high98.2Very high37 Ų3745.9 Ų45.931%0.30626%0.255SS..Hα-helixtrans-61.9-40.2176.600000112.1S164 A165 N170 L171 M172S164-A168 PolarHBondContact O-N 3.21Å; A165-A168 PolarHBondContact O-N 3.32Å; A168-N170 VanDerWaalsContact C-N 3.28Å; A168-N170 PolarHBondContact O-N 3.32Å; A168-L171 PolarHBondContact O-N 3.34Å; A168-L171 VanDerWaalsContact O-N 3.16Å; A168-M172 HydrophobicContact CB-CE 4.06Å; A168-M172 WeakPolarHBondContact O-CB 3.42Å; A168-M172 WeakPolarHBondContact O-CE 3.32Å; A168-M172 WeakPolarHBondContact O-CG 3.24Å; A168-M172 PolarHBondContact O-N 2.76Å
169A97.4Very high98.2Very high2 Ų245.9 Ų45.92%0.01726%0.255CS..Hα-helixtrans-59.5-37.1176.100000112.7A165 A166 M167 K173 S174 V176 L178A165-A169 WeakPolarHBondContact O-CB 3.35Å; A165-A169 PolarHBondContact O-N 3.26Å; A166-A169 WeakPolarHBondContact O-CB 3.33Å; A166-A169 PolarHBondContact O-N 3.42Å; M167-A169 VanDerWaalsContact C-N 3.33Å; M167-A169 PolarHBondContact O-N 3.35Å; A169-K173 PolarHBondContact O-N 3.33Å; A169-S174 WeakPolarHBondContact CB-OG 3.25Å; A169-S174 PolarHBondContact O-N 3.46Å; A169-S174 PolarHBondContact O-OG 2.58Å; A169-V176 WeakPolarHBondContact CB-O 3.49Å; A169-L178 HydrophobicContact CB-CD1 3.56Å
170N97.2Very high98.2Very high106 Ų10645.4 Ų45.457%0.56725%0.253SS*.Hα-helixtrans-65.5-46.6173-70.8-20.3000111.8A166 M167 A168 M172 K173 N239A166-N170 PolarHBondContact O-N 3.21Å; M167-N170 WeakPolarHBondContact O-CB 3.48Å; M167-N170 PolarHBondContact O-N 2.68Å; A168-N170 VanDerWaalsContact C-N 3.28Å; A168-N170 PolarHBondContact O-N 3.32Å; N170-M172 VanDerWaalsContact C-N 3.31Å; N170-M172 PolarHBondContact O-N 3.41Å; N170-K173 PolarHBondContact O-N 2.8Å; N170-K173 VanDerWaalsContact O-N 3.09Å; N170-N239 PolarHBondContact OD1-ND2 3.44Å
171L96.6Very high98.2Very high142 Ų14243.6 Ų43.674%0.74323%0.234SC*.Hα-helixtrans-60.3-42177.9-66.3174.4000111.8M167 A168 K173M167-L171 PolarHBondContact O-N 3.28Å; A168-L171 PolarHBondContact O-N 3.34Å; A168-L171 VanDerWaalsContact O-N 3.16Å; L171-K173 PolarHBondContact O-N 3.2Å
172M96.1Very high98.2Very high95 Ų9542.3 Ų42.347%0.46823%0.228SC..THydrogen-bonded Turntrans-76.1-9.4178.1-67-175.6-71.800113.5Q125 A168 N170 S174Q125-M172 WeakPolarHBondContact CG-O 3.19Å; Q125-M172 PolarHBondContact NE2-O 3.04Å; Q125-M172 VanDerWaalsContact NE2-O 3.08Å; A168-M172 HydrophobicContact CB-CE 4.06Å; A168-M172 WeakPolarHBondContact O-CB 3.42Å; A168-M172 WeakPolarHBondContact O-CE 3.32Å; A168-M172 WeakPolarHBondContact O-CG 3.24Å; A168-M172 PolarHBondContact O-N 2.76Å; N170-M172 VanDerWaalsContact C-N 3.31Å; N170-M172 PolarHBondContact O-N 3.41Å; M172-S174 PolarHBondContact O-N 3Å
173K97.5Very high98.2Very high168 Ų16842.5 Ų42.573%0.7323%0.23SC*.THydrogen-bonded Turntrans47.942.9-169.9-56.9178.5-177.9177.40111.2A169 N170 L171 G175A169-K173 PolarHBondContact O-N 3.33Å; N170-K173 PolarHBondContact O-N 2.8Å; N170-K173 VanDerWaalsContact O-N 3.09Å; L171-K173 PolarHBondContact O-N 3.2Å; K173-G175 PolarHBondContact O-N 3.15Å
174S98.2Very high98.1Very high0 Ų040.1 Ų40.10%023%0.227CC..  trans-67.7-21.4-173.466.80000112.8S123 K124 A169 M172 V176S123-S174 WeakPolarHBondContact OG-CB 3.21Å; K124-S174 WeakPolarHBondContact CG-O 3.38Å; K124-S174 PolarHBondContact N-O 2.88Å; A169-S174 WeakPolarHBondContact CB-OG 3.25Å; A169-S174 PolarHBondContact O-N 3.46Å; A169-S174 PolarHBondContact O-OG 2.58Å; M172-S174 PolarHBondContact O-N 3Å; S174-V176 PolarHBondContact O-N 3.46Å; S174-V176 PolarHBondContact OG-N 3.05Å; S174-V176 VanDerWaalsContact OG-N 3.13Å
175G98.3Very high98Very high38 Ų3838.4 Ų38.439%0.39221%0.21SC..  trans71.38.1-170.800000113.7G130 G131 K173G130-G175 WeakPolarHBondContact CA-O 3.48Å; G131-G175 PolarHBondContact N-O 3.34Å; G131-G175 VanDerWaalsContact N-O 3.11Å; K173-G175 PolarHBondContact O-N 3.15Å
176V98.8Very high98Very high3 Ų338.2 Ų38.22%0.01821%0.208CC..EExtended strand (participates in β ladder)trans-102.9124.8178.5-176.60000109.5L119 M122 G131 I133 A169 S174 L178L119-V176 HydrophobicContact CD2-CB 3.78Å; L119-V176 HydrophobicContact CD2-CG1 3.85Å; L119-V176 HydrophobicContact CD2-CG2 4.02Å; M122-V176 HydrophobicContact CB-CG2 3.75Å; M122-V176 HydrophobicContact CE-CG1 4.23Å; G131-V176 CarbonylContact O-C 3.53Å; G131-V176 WeakPolarHBondContact O-CA 3.19Å; I133-V176 HydrophobicContact CD1-CG1 3.86Å; I133-V176 HydrophobicContact CG1-CG1 3.82Å; A169-V176 WeakPolarHBondContact CB-O 3.49Å; S174-V176 PolarHBondContact O-N 3.46Å; S174-V176 PolarHBondContact OG-N 3.05Å; S174-V176 VanDerWaalsContact OG-N 3.13Å; V176-L178 HydrophobicContact CG1-CD1 4.32Å
177R98.8Very high97.8Very high23 Ų2342.8 Ų42.89%0.08723%0.232CC..EExtended strand (participates in β ladder)trans-90.5141.9173.2-61.2-174.2-64.7101.2-8.3110G131 V132 I133 L232 I233 D235 D236 F238 N239G131-R177 PolarHBondContact O-N 3.07Å; V132-R177 CarbonylContact C-O 3.55Å; V132-R177 WeakPolarHBondContact CA-O 2.99Å; V132-R177 HydrophobicContact CG2-CB 4.26Å; I133-R177 PolarHBondContact N-O 3.38Å; R177-L232 PolarHBondContact NH1-O 3.23Å; R177-L232 PolarHBondContact NH2-O 3.43Å; R177-I233 PolarHBondContact NH2-O 2.93Å; R177-D235 PolarHBondContact NH1-O 3.17Å; R177-D236 WeakPolarHBondContact CD-O 3.41Å; R177-D236 IonicContact CZ-OD1 2.75Å; R177-D236 IonicContact NE-OD1 2.69Å; R177-D236 PolarHBondContact NE-OD1 3.23Å; R177-D236 IonicContact NH2-OD1 3.47Å; R177-D236 PolarHBondContact NH2-OD1 3.5Å; R177-D236 VanDerWaalsContact NH2-OD1 3.12Å; R177-F238 VanDerWaalsContact CD-O 3.32Å; R177-F238 WeakPolarHBondContact CD-O 3.31Å; R177-F238 PolarHBondContact NH1-O 3.03Å; R177-N239 WeakPolarHBondContact CA-OD1 3.26Å; R177-N239 HydrophobicContact CB-CB 4.35Å; R177-N239 HydrophobicContact CG-CB 4.26Å
178L98.8Very high97.7Very high0 Ų038.2 Ų38.20%021%0.211CC..EExtended strand (participates in β ladder)trans-127.8121.7178.6-60.295.6000110.2T115 I133 T162 A165 A166 A169 V176 N239 G240T115-L178 HydrophobicContact CG2-CD2 3.46Å; T115-L178 VanDerWaalsContact CG2-CD2 3.46Å; I133-L178 HydrophobicContact CB-CD2 4.21Å; I133-L178 HydrophobicContact CB-CG 4.09Å; I133-L178 HydrophobicContact CD1-CD2 3.99Å; I133-L178 HydrophobicContact CD1-CG 4.34Å; I133-L178 HydrophobicContact CG2-CD2 4.49Å; I133-L178 WeakPolarHBondContact O-CA 3.49Å; T162-L178 HydrophobicContact CG2-CB 4.27Å; A165-L178 HydrophobicContact CB-CD2 3.77Å; A166-L178 HydrophobicContact CB-CB 4.21Å; A169-L178 HydrophobicContact CB-CD1 3.56Å; V176-L178 HydrophobicContact CG1-CD1 4.32Å; L178-N239 PolarHBondContact N-OD1 3.29Å; L178-G240 VanDerWaalsContact O-CA 3.3Å; L178-G240 WeakPolarHBondContact O-CA 3.44Å; L178-G240 PolarHBondContact O-N 2.66Å
179N98.9Very high97.4Very high0 Ų039 Ų390%021%0.213CC..EExtended strand (participates in β ladder)trans-136161.8-178.8-57.1-66.7000110.5I133 I134 N135 T162 L232 F238 N239 G240 A241I133-N179 PolarHBondContact O-N 3.21Å; I134-N179 WeakPolarHBondContact CA-O 3.23Å; I134-N179 HydrophobicContact CD1-CB 4.01Å; N135-N179 PolarHBondContact N-O 2.86Å; T162-N179 VanDerWaalsContact CG2-C 3.49Å; N179-L232 HydrophobicContact CB-CD1 4.03Å; N179-L232 HydrophobicContact CB-CD2 4.06Å; N179-F238 PolarHBondContact ND2-O 3.35Å; N179-F238 PolarHBondContact OD1-O 2.92Å; N179-N239 WeakPolarHBondContact OD1-CA 3.45Å; N179-N239 PolarHBondContact OD1-N 2.7Å; N179-G240 PolarHBondContact OD1-N 2.94Å; N179-G240 VanDerWaalsContact OD1-N 3.14Å; N179-A241 WeakPolarHBondContact CA-O 3.38Å; N179-A241 HydrophobicContact CB-CB 4.44Å; N179-A241 WeakPolarHBondContact CB-O 3.45Å; N179-A241 VanDerWaalsContact OD1-CB 3.3Å; N179-A241 WeakPolarHBondContact OD1-CB 3.29Å; N179-A241 PolarHBondContact OD1-N 3.25Å
180A98.9Very high97.1Very high0 Ų041.9 Ų41.90%023%0.227CC..EExtended strand (participates in β ladder)trans-125146.3175.200000112N135 T162 A241 I242 M243N135-A180 WeakPolarHBondContact O-CA 3.4Å; N135-A180 WeakPolarHBondContact O-CB 3.15Å; T162-A180 HydrophobicContact CG2-CB 4.14Å; A180-A241 PolarHBondContact N-O 3.16Å; A180-I242 HydrophobicContact CB-CD1 3.72Å; A180-M243 PolarHBondContact O-N 3.43Å
181I98.9Very high96.8Very high0 Ų038 Ų380%021%0.206CC..EExtended strand (participates in β ladder)trans-107133171.2-56.6174.1000108.2F21 I134 N135 M136 S137 P183 I225 L229 L232 M243 I245F21-I181 HydrophobicContact CZ-CD1 4.17Å; I134-I181 HydrophobicContact CG2-CD1 3.73Å; I134-I181 HydrophobicContact CG2-CG1 3.91Å; N135-I181 PolarHBondContact O-N 3.3Å; N135-I181 VanDerWaalsContact O-N 3.1Å; M136-I181 HydrophobicContact CE-CB 4.31Å; M136-I181 HydrophobicContact CE-CG2 4.33Å; M136-I181 HydrophobicContact SD-CB 3.85Å; M136-I181 HydrophobicContact SD-CD1 4.27Å; M136-I181 HydrophobicContact SD-CG1 4.49Å; M136-I181 HydrophobicContact SD-CG2 4.41Å; S137-I181 CarbonylContact C-O 3.5Å; S137-I181 WeakPolarHBondContact CA-O 3.38Å; S137-I181 PolarHBondContact N-O 2.88Å; I181-P183 HydrophobicContact CG2-CG 4.01Å; I181-P183 WeakPolarHBondContact O-CD 3.45Å; I181-I225 HydrophobicContact CG2-CG2 4Å; I181-L229 HydrophobicContact CD1-CB 4.14Å; I181-L232 HydrophobicContact CD1-CD1 4.05Å; I181-L232 HydrophobicContact CG1-CD1 3.56Å; I181-M243 CarbonylContact C-O 3.51Å; I181-M243 WeakPolarHBondContact CA-O 3.43Å; I181-M243 HydrophobicContact CG1-SD 4.42Å; I181-I245 HydrophobicContact CG2-CD1 3.77Å; I181-I245 HydrophobicContact CG2-CG1 4.22Å
182C98.8Very high96.6Very high0 Ų036.9 Ų36.90%020%0.197CC..EExtended strand (participates in β ladder)trans-121.879.5-178.6-580000109.3L142 I242 M243 K244 I245L142-C182 HydrophobicContact CD1-CB 4.28Å; C182-I242 VanDerWaalsContact SG-CG2 3.57Å; C182-M243 WeakPolarHBondContact CA-O 3.4Å; C182-M243 WeakPolarHBondContact CB-O 3.32Å; C182-M243 PolarHBondContact N-O 3.03Å; C182-K244 HydrophobicContact CB-CG 4.24Å; C182-K244 WeakPolarHBondContact O-CA 3.41Å; C182-I245 PolarHBondContact O-N 3.47Å
183P98.5Very high96.4Very high5 Ų532.9 Ų32.93%0.03218%0.179CC..EExtended strand (participates in β ladder)trans-67.3152176.6-18.733.4000111.9M136 L139 I181 V186 I225 I245M136-P183 HydrophobicContact CE-CG 3.6Å; L139-P183 PolarHBondContact N-O 3.45Å; I181-P183 HydrophobicContact CG2-CG 4.01Å; I181-P183 WeakPolarHBondContact O-CD 3.45Å; P183-V186 HydrophobicContact CB-CG2 3.6Å; P183-V186 HydrophobicContact CG-CG2 4.47Å; P183-I225 HydrophobicContact CB-CD1 3.84Å; P183-I225 HydrophobicContact CG-CD1 4.17Å; P183-I225 HydrophobicContact CG-CG2 3.97Å; P183-I245 CarbonylContact C-O 3.58Å
184G97.4Very high96.2Very high21 Ų2125.1 Ų25.122%0.21615%0.145CC..SBendtrans-69.7-152.4154.500000111.5I245G184-I245 PolarHBondContact N-O 3.16Å
185F96.9Very high96Very high40 Ų4030.7 Ų30.718%0.17517%0.171CC..  trans-68.4134.6175.8-56.9-68.4000110.7L191 I210 M213 M214 Y217 I219 L220F185-L191 HydrophobicContact CB-CD1 4.48Å; F185-L191 HydrophobicContact CB-CD2 4.37Å; F185-L191 HydrophobicContact CD1-CD2 3.91Å; F185-I210 HydrophobicContact CE1-CG2 4.06Å; F185-I210 HydrophobicContact CZ-CG2 4.39Å; F185-M213 HydrophobicContact CE2-CB 3.93Å; F185-M213 HydrophobicContact CZ-CB 3.92Å; F185-M213 HydrophobicContact CZ-CE 4.48Å; F185-M214 HydrophobicContact CB-CG 4.32Å; F185-M214 HydrophobicContact CD1-CG 3.7Å; F185-M214 HydrophobicContact CD1-SD 4.44Å; F185-M214 HydrophobicContact CD2-CB 4.29Å; F185-M214 HydrophobicContact CD2-CG 3.71Å; F185-M214 HydrophobicContact CE1-CG 3.84Å; F185-M214 HydrophobicContact CE2-CB 4.46Å; F185-M214 HydrophobicContact CE2-CG 3.85Å; F185-M214 HydrophobicContact CG-CG 3.63Å; F185-M214 HydrophobicContact CZ-CG 3.91Å; F185-Y217 HydrophobicContact CE2-CD2 4.36Å; F185-I219 HydrophobicContact CB-CG1 4.4Å; F185-L220 WeakPolarHBondContact O-CB 3.14Å; F185-L220 PolarHBondContact O-N 2.86Å
186V96.9Very high96Very high7 Ų733.4 Ų33.44%0.04217%0.172CC..BIsolated β-bridgetrans-131.3132.1-179-169.10000109.6I17 P183 T188 L191 L220 P222 I225I17-V186 HydrophobicContact CD1-CB 4.04Å; I17-V186 HydrophobicContact CD1-CG1 4.04Å; I17-V186 HydrophobicContact CD1-CG2 3.98Å; I17-V186 HydrophobicContact CG1-CB 4.41Å; I17-V186 HydrophobicContact CG1-CG1 3.87Å; P183-V186 HydrophobicContact CB-CG2 3.6Å; P183-V186 HydrophobicContact CG-CG2 4.47Å; V186-T188 HydrophobicContact CB-CG2 4.29Å; V186-T188 HydrophobicContact CG1-CG2 4Å; V186-T188 PolarHBondContact O-N 3.34Å; V186-T188 PolarHBondContact O-OG1 2.94Å; V186-T188 VanDerWaalsContact O-OG1 3.14Å; V186-L191 WeakPolarHBondContact O-CD1 3.43Å; V186-L191 WeakPolarHBondContact O-CG 3.39Å; V186-L220 WeakPolarHBondContact CA-O 3.37Å; V186-L220 WeakPolarHBondContact CG1-O 3.23Å; V186-L220 HydrophobicContact CG2-CB 4.31Å; V186-P222 HydrophobicContact CG1-CB 4.42Å; V186-P222 HydrophobicContact CG1-CG 4.01Å; V186-I225 HydrophobicContact CG1-CG1 4.02Å; V186-I225 HydrophobicContact CG2-CD1 3.86Å; V186-I225 HydrophobicContact CG2-CG1 3.91Å
187N95.4Very high95.8Very high100 Ų10038.6 Ų38.654%0.53520%0.196SC..SBendtrans-64.193.3-177-169.622.5000111.1I219 L220 P222N187-I219 HydrophobicContact CB-CG2 3.75Å; N187-I219 VanDerWaalsContact N-CG2 3.29Å; N187-L220 PolarHBondContact N-O 3.47Å; N187-P222 WeakPolarHBondContact O-CG 3.47Å
188T94.6Very high95.8Very high16 Ų1643.2 Ų43.210%0.09822%0.219CC..SBendtrans-151.1163.3-173.561.20000110.3I17 V186 I190 L191 P222I17-T188 HydrophobicContact CD1-CG2 4.46Å; I17-T188 HydrophobicContact CG1-CG2 3.99Å; V186-T188 HydrophobicContact CB-CG2 4.29Å; V186-T188 HydrophobicContact CG1-CG2 4Å; V186-T188 PolarHBondContact O-N 3.34Å; V186-T188 PolarHBondContact O-OG1 2.94Å; V186-T188 VanDerWaalsContact O-OG1 3.14Å; T188-I190 PolarHBondContact O-N 3.08Å; T188-L191 PolarHBondContact O-N 2.83Å; T188-P222 HydrophobicContact CG2-CG 4.2Å
189P92.4Very high95.7Very high54 Ų5444.3 Ų44.335%0.35123%0.225SC..Hα-helixtrans-58.4-19.7176.6-29.339.2000115L191 E192P189-L191 VanDerWaalsContact C-N 3.29Å; P189-L191 PolarHBondContact O-N 3.21Å; P189-E192 PolarHBondContact O-N 3.16Å
190I91.4Very high95.7Very high61 Ų6144.3 Ų44.331%0.31323%0.225SC..Hα-helixtrans-63.5-36.3173-75.8179000111.1N95 T188 E192 S193N95-I190 HydrophobicContact CB-CG2 4.18Å; T188-I190 PolarHBondContact O-N 3.08Å; I190-E192 VanDerWaalsContact C-N 3.29Å; I190-E192 PolarHBondContact O-N 3.3Å; I190-S193 WeakPolarHBondContact O-CB 3.5Å; I190-S193 PolarHBondContact O-N 3.06Å; I190-S193 PolarHBondContact O-OG 3.38Å
191L91.2Very high95.6Very high25 Ų2545 Ų4513%0.13123%0.231CC..Hα-helixtrans-66-34.1178.9-73.2-178000112.1F185 V186 T188 P189 S193 I194 M214 I219F185-L191 HydrophobicContact CB-CD1 4.48Å; F185-L191 HydrophobicContact CB-CD2 4.37Å; F185-L191 HydrophobicContact CD1-CD2 3.91Å; V186-L191 WeakPolarHBondContact O-CD1 3.43Å; V186-L191 WeakPolarHBondContact O-CG 3.39Å; T188-L191 PolarHBondContact O-N 2.83Å; P189-L191 VanDerWaalsContact C-N 3.29Å; P189-L191 PolarHBondContact O-N 3.21Å; L191-S193 PolarHBondContact O-N 2.84Å; L191-I194 VanDerWaalsContact O-CG1 3.23Å; L191-I194 WeakPolarHBondContact O-CG1 3.27Å; L191-I194 PolarHBondContact O-N 3.18Å; L191-M214 HydrophobicContact CD1-CE 3.82Å; L191-M214 HydrophobicContact CD2-CE 4.16Å; L191-M214 HydrophobicContact CD2-SD 4.2Å; L191-M214 HydrophobicContact CG-CE 4.42Å; L191-I219 HydrophobicContact CD1-CG2 4.01Å
192E91.5Very high95.4Very high118 Ų11852.1 Ų52.155%0.55127%0.265SS*.Hα-helixtrans-65.5-25.6177.5-60.9171.4-168.400112.2P189 I190 I194 E195P189-E192 PolarHBondContact O-N 3.16Å; I190-E192 VanDerWaalsContact C-N 3.29Å; I190-E192 PolarHBondContact O-N 3.3Å; E192-I194 PolarHBondContact O-N 3.11Å; E192-E195 PolarHBondContact O-N 3.04Å
193S92.9Very high95.4Very high11 Ų1154.5 Ų54.58%0.07727%0.274CS..G310 helixtrans-67.1-19.5-179.974.60000113.9N95 I190 L191 E195 K196 N199N95-S193 WeakPolarHBondContact CB-OG 3.21Å; N95-S193 PolarHBondContact ND2-OG 3.09Å; I190-S193 WeakPolarHBondContact O-CB 3.5Å; I190-S193 PolarHBondContact O-N 3.06Å; I190-S193 PolarHBondContact O-OG 3.38Å; L191-S193 PolarHBondContact O-N 2.84Å; S193-E195 PolarHBondContact O-N 3.26Å; S193-K196 PolarHBondContact O-N 3Å; S193-N199 WeakPolarHBondContact O-CB 3.1Å
194I93.3Very high95.3Very high6 Ų656 Ų563%0.03128%0.281CS..G310 helixtrans-68.1-18.4179.578.2-173.1000112.4L191 E192 K196 M200 I210 K211 M214L191-I194 VanDerWaalsContact O-CG1 3.23Å; L191-I194 WeakPolarHBondContact O-CG1 3.27Å; L191-I194 PolarHBondContact O-N 3.18Å; E192-I194 PolarHBondContact O-N 3.11Å; I194-K196 VanDerWaalsContact C-N 3.31Å; I194-M200 HydrophobicContact CB-SD 4.41Å; I194-M200 WeakPolarHBondContact O-CG 3.4Å; I194-I210 HydrophobicContact CD1-CB 4.42Å; I194-I210 HydrophobicContact CD1-CG2 3.85Å; I194-K211 HydrophobicContact CD1-CG 4.27Å; I194-M214 HydrophobicContact CD1-SD 3.79Å
195E94.4Very high95.3Very high117 Ų11762.6 Ų62.655%0.54731%0.307SS..G310 helixtrans-89.51.7-178.6-53.6-161.9145.500113E192 S193 K211E192-E195 PolarHBondContact O-N 3.04Å; S193-E195 PolarHBondContact O-N 3.26Å; E195-K211 WeakPolarHBondContact OE1-CE 3.18Å; E195-K211 IonicContact OE1-NZ 3.83Å; E195-K211 PolarHBondContact OE1-NZ 3.42Å
196K96.3Very high95.2Very high94 Ų9466.3 Ų66.341%0.40932%0.32SS..  trans-117.7124.8-171.9-49.7-173.4-176.6178.10111.4S193 I194 E198 N199 M200S193-K196 PolarHBondContact O-N 3Å; I194-K196 VanDerWaalsContact C-N 3.31Å; K196-E198 HydrophobicContact CB-CG 3.87Å; K196-E198 HydrophobicContact CD-CG 4.38Å; K196-E198 WeakPolarHBondContact CD-OE1 3.23Å; K196-E198 IonicContact NZ-OE1 2.93Å; K196-E198 PolarHBondContact O-N 3.46Å; K196-N199 PolarHBondContact O-N 2.83Å; K196-M200 PolarHBondContact O-N 2.86Å
197E96.2Very high95.1Very high113 Ų11368.2 Ų68.253%0.52833%0.329SS..Hα-helixtrans-60.1-32175.5-167-143126.300112K98 N199 M200 G201 I204K98-E197 IonicContact NZ-OE1 2.85Å; K98-E197 PolarHBondContact NZ-OE1 3.14Å; E197-N199 PolarHBondContact O-N 2.72Å; E197-N199 VanDerWaalsContact O-N 3.14Å; E197-M200 PolarHBondContact O-N 3.39Å; E197-G201 WeakPolarHBondContact O-CA 3.37Å; E197-G201 PolarHBondContact O-N 3.07Å; E197-I204 HydrophobicContact CB-CG1 4.33Å; E197-I204 HydrophobicContact CG-CB 4.49Å; E197-I204 HydrophobicContact CG-CG2 4.11Å
198E97.1Very high95Very high119 Ų11968.5 Ų68.556%0.55633%0.331SS*.Hα-helixtrans-59.5-24.7176.374.1-167-176.300113.4N96 K196N96-E198 PolarHBondContact OD1-O 3.42Å; K196-E198 HydrophobicContact CB-CG 3.87Å; K196-E198 HydrophobicContact CD-CG 4.38Å; K196-E198 WeakPolarHBondContact CD-OE1 3.23Å; K196-E198 IonicContact NZ-OE1 2.93Å; K196-E198 PolarHBondContact O-N 3.46Å
199N97.9Very high95Very high24 Ų2472.8 Ų72.813%0.12835%0.35CS..Hα-helixtrans-99.6-42.1175.2-64.999.9000111.6N95 N96 E97 K98 S193 K196 E197N95-N199 PolarHBondContact O-ND2 3.32Å; N96-N199 CarbonylContact C-O 3.56Å; N96-N199 WeakPolarHBondContact CA-O 3.03Å; N96-N199 PolarHBondContact OD1-O 3.11Å; E97-N199 PolarHBondContact N-O 3.21Å; K98-N199 PolarHBondContact N-O 3.45Å; S193-N199 WeakPolarHBondContact O-CB 3.1Å; K196-N199 PolarHBondContact O-N 2.83Å; E197-N199 PolarHBondContact O-N 2.72Å; E197-N199 VanDerWaalsContact O-N 3.14Å
200M97.8Very high95Very high0 Ų070.3 Ų70.30%033%0.334CS..Hα-helixtrans-89.8-18.4-170-62.7-58.7-68.700114N95 Q147 Q148 I194 K196 E197 Q202 Y203 I204 I210N95-M200 PolarHBondContact ND2-SD 2.99Å; Q147-M200 HydrophobicContact CB-CE 4.08Å; Q147-M200 VanDerWaalsContact O-CE 3.29Å; Q147-M200 WeakPolarHBondContact O-CE 3.42Å; Q148-M200 HydrophobicContact CG-CE 4.03Å; I194-M200 HydrophobicContact CB-SD 4.41Å; I194-M200 WeakPolarHBondContact O-CG 3.4Å; K196-M200 PolarHBondContact O-N 2.86Å; E197-M200 PolarHBondContact O-N 3.39Å; M200-Q202 PolarHBondContact O-N 2.98Å; M200-Y203 WeakPolarHBondContact O-CB 3.37Å; M200-Y203 VanDerWaalsContact O-CD2 3.28Å; M200-Y203 WeakPolarHBondContact O-CD2 3.41Å; M200-Y203 PolarHBondContact O-N 3.12Å; M200-I204 HydrophobicContact CB-CB 3.97Å; M200-I204 HydrophobicContact CB-CD1 4.04Å; M200-I204 HydrophobicContact CG-CD1 4.16Å; M200-I210 HydrophobicContact CE-CD1 3.94Å
201G97.1Very high95.1Very high13 Ų1370.6 Ų70.613%0.13433%0.333CS..G310 helixtrans51.1-129-177.200000111.8E197 Y203 I204E197-G201 WeakPolarHBondContact O-CA 3.37Å; E197-G201 PolarHBondContact O-N 3.07Å; G201-Y203 PolarHBondContact O-N 3.18Å; G201-Y203 VanDerWaalsContact O-N 3.1Å; G201-I204 VanDerWaalsContact O-CG2 3.31Å; G201-I204 WeakPolarHBondContact O-CG2 3.01Å; G201-I204 PolarHBondContact O-N 3.13Å
202Q95.9Very high95.2Very high150 Ų15072 Ų7270%0.70135%0.347SS*.G310 helixtrans-61.3-17.5178.371-174.6-61.700114.3M200 I204M200-Q202 PolarHBondContact O-N 2.98Å; Q202-I204 VanDerWaalsContact C-N 3.34Å
203Y97.7Very high95.3Very high50 Ų5068.4 Ų68.420%0.19633%0.331CS..G310 helixtrans-86.5-5.7-176.3-51.4-67.4000113.6E97 Q147 P149 M200 G201 E205 Y206E97-Y203 HydrophobicContact CB-CD2 3.62Å; E97-Y203 HydrophobicContact CB-CE2 3.79Å; E97-Y203 HydrophobicContact CG-CD2 3.84Å; E97-Y203 HydrophobicContact CG-CE2 4.09Å; Q147-Y203 VanDerWaalsContact O-CB 3.26Å; Q147-Y203 WeakPolarHBondContact O-CB 3.46Å; P149-Y203 HydrophobicContact CG-CE1 4.08Å; P149-Y203 HydrophobicContact CG-CE2 3.9Å; P149-Y203 VanDerWaalsContact CG-CZ 3.47Å; P149-Y203 WeakPolarHBondContact CG-OH 3.24Å; M200-Y203 WeakPolarHBondContact O-CB 3.37Å; M200-Y203 VanDerWaalsContact O-CD2 3.28Å; M200-Y203 WeakPolarHBondContact O-CD2 3.41Å; M200-Y203 PolarHBondContact O-N 3.12Å; G201-Y203 PolarHBondContact O-N 3.18Å; G201-Y203 VanDerWaalsContact O-N 3.1Å; Y203-E205 PolarHBondContact O-N 3.16Å; Y203-Y206 PolarHBondContact O-N 3.38Å
204I97.4Very high95.3Very high37 Ų3769.3 Ų69.319%0.1933%0.334CS..G310 helixtrans-58-34.5-178.7-168.458.6000112.2E197 M200 G201 Q202 Y206 M207E197-I204 HydrophobicContact CB-CG1 4.33Å; E197-I204 HydrophobicContact CG-CB 4.49Å; E197-I204 HydrophobicContact CG-CG2 4.11Å; M200-I204 HydrophobicContact CB-CB 3.97Å; M200-I204 HydrophobicContact CB-CD1 4.04Å; M200-I204 HydrophobicContact CG-CD1 4.16Å; G201-I204 VanDerWaalsContact O-CG2 3.31Å; G201-I204 WeakPolarHBondContact O-CG2 3.01Å; G201-I204 PolarHBondContact O-N 3.13Å; Q202-I204 VanDerWaalsContact C-N 3.34Å; I204-Y206 PolarHBondContact O-N 3.42Å; I204-Y206 VanDerWaalsContact O-N 3.1Å; I204-M207 HydrophobicContact CD1-SD 3.86Å; I204-M207 WeakPolarHBondContact O-CB 3.44Å; I204-M207 VanDerWaalsContact O-CG 3.31Å; I204-M207 WeakPolarHBondContact O-CG 3.5Å; I204-M207 PolarHBondContact O-N 2.92Å; I204-M207 VanDerWaalsContact O-N 3.17Å
205E96.2Very high95.3Very high160 Ų16078.1 Ų78.175%0.74837%0.373SS*.G310 helixtrans-64.2-17179.7-61.4-173.1166.200113Y203Y203-E205 PolarHBondContact O-N 3.16Å
206Y96.1Very high95.2Very high118 Ų11878 Ų7846%0.46338%0.38SS..G310 helixtrans-108.37.6-178.2-48.9-71.7000113.1Y203 I204 D208 Q209Y203-Y206 PolarHBondContact O-N 3.38Å; I204-Y206 PolarHBondContact O-N 3.42Å; I204-Y206 VanDerWaalsContact O-N 3.1Å; Y206-D208 PolarHBondContact O-N 3.37Å; Y206-D208 VanDerWaalsContact O-N 3.16Å; Y206-Q209 WeakPolarHBondContact O-CB 3.42Å; Y206-Q209 PolarHBondContact O-N 3.43Å; Y206-Q209 VanDerWaalsContact O-N 3.12Å
207M93.6Very high95Very high46 Ų4680.4 Ų80.423%0.22739%0.387CS..Hα-helixtrans-59.4-29.4-174.869.6170173.800113.6I204 Q209 I210 K211I204-M207 HydrophobicContact CD1-SD 3.86Å; I204-M207 WeakPolarHBondContact O-CB 3.44Å; I204-M207 VanDerWaalsContact O-CG 3.31Å; I204-M207 WeakPolarHBondContact O-CG 3.5Å; I204-M207 PolarHBondContact O-N 2.92Å; I204-M207 VanDerWaalsContact O-N 3.17Å; M207-Q209 PolarHBondContact O-N 3.41Å; M207-I210 WeakPolarHBondContact O-CB 3.4Å; M207-I210 PolarHBondContact O-N 3.24Å; M207-K211 PolarHBondContact O-N 2.91Å; M207-K211 VanDerWaalsContact O-N 3.07Å
208D94.6Very high95Very high106 Ų10676.2 Ų76.257%0.56737%0.374SS*.Hα-helixtrans-63.1-25.7-179.2-73.9-19000112.4Y206 K211 A212Y206-D208 PolarHBondContact O-N 3.37Å; Y206-D208 VanDerWaalsContact O-N 3.16Å; D208-K211 PolarHBondContact O-N 3.38Å; D208-A212 WeakPolarHBondContact O-CB 3.36Å; D208-A212 PolarHBondContact O-N 2.84Å
209Q94.1Very high95Very high107 Ų10774.2 Ų74.250%0.537%0.366SS..Hα-helixtrans-69.2-38173.9-60.7179.716.500111.4Y206 M207 A212 M213Y206-Q209 WeakPolarHBondContact O-CB 3.42Å; Y206-Q209 PolarHBondContact O-N 3.43Å; Y206-Q209 VanDerWaalsContact O-N 3.12Å; M207-Q209 PolarHBondContact O-N 3.41Å; Q209-A212 PolarHBondContact O-N 3.14Å; Q209-M213 WeakPolarHBondContact O-CG 3.37Å; Q209-M213 PolarHBondContact O-N 2.65Å
210I92.8Very high95Very high2 Ų273.7 Ų73.71%0.0136%0.364CS..Hα-helixtrans-64.8-45.3172.4-62.5166.2000109.8Q147 Q148 F185 I194 M200 M207 A212 M213 M214Q147-I210 HydrophobicContact CB-CD1 3.58Å; Q147-I210 HydrophobicContact CB-CG1 4.11Å; Q147-I210 HydrophobicContact CG-CD1 4.06Å; Q147-I210 HydrophobicContact CG-CG1 4.08Å; Q148-I210 HydrophobicContact CG-CD1 4.27Å; F185-I210 HydrophobicContact CE1-CG2 4.06Å; F185-I210 HydrophobicContact CZ-CG2 4.39Å; I194-I210 HydrophobicContact CD1-CB 4.42Å; I194-I210 HydrophobicContact CD1-CG2 3.85Å; M200-I210 HydrophobicContact CE-CD1 3.94Å; M207-I210 WeakPolarHBondContact O-CB 3.4Å; M207-I210 PolarHBondContact O-N 3.24Å; I210-A212 VanDerWaalsContact C-N 3.3Å; I210-A212 PolarHBondContact O-N 2.99Å; I210-M213 HydrophobicContact CB-CE 4.39Å; I210-M213 HydrophobicContact CG1-CE 4.12Å; I210-M213 WeakPolarHBondContact O-CB 3.38Å; I210-M213 PolarHBondContact O-N 3.43Å; I210-M213 VanDerWaalsContact O-N 3.11Å; I210-M214 HydrophobicContact CG2-CG 4.4Å; I210-M214 HydrophobicContact CG2-SD 4.12Å; I210-M214 WeakPolarHBondContact O-CG 3.3Å; I210-M214 PolarHBondContact O-N 3.42Å
211K93.4Very high95.1Very high67 Ų6778.3 Ų78.329%0.29139%0.388SS..Hα-helixtrans-60.2-40.1177.7-67.6-179.3172.5-175.20112.2I194 E195 M207 D208 M214 K215I194-K211 HydrophobicContact CD1-CG 4.27Å; E195-K211 WeakPolarHBondContact OE1-CE 3.18Å; E195-K211 IonicContact OE1-NZ 3.83Å; E195-K211 PolarHBondContact OE1-NZ 3.42Å; M207-K211 PolarHBondContact O-N 2.91Å; M207-K211 VanDerWaalsContact O-N 3.07Å; D208-K211 PolarHBondContact O-N 3.38Å; K211-M214 PolarHBondContact O-N 3.08Å; K211-K215 PolarHBondContact O-N 3.3Å
212A93.9Very high95.1Very high53 Ų5378.9 Ų78.944%0.43839%0.389SS..Hα-helixtrans-62.5-4417400000111.6D208 Q209 I210 M214 K215 V216D208-A212 WeakPolarHBondContact O-CB 3.36Å; D208-A212 PolarHBondContact O-N 2.84Å; Q209-A212 PolarHBondContact O-N 3.14Å; I210-A212 VanDerWaalsContact C-N 3.3Å; I210-A212 PolarHBondContact O-N 2.99Å; A212-M214 PolarHBondContact O-N 3.16Å; A212-K215 PolarHBondContact O-N 2.79Å; A212-V216 WeakPolarHBondContact O-CG2 3.4Å; A212-V216 PolarHBondContact O-N 3.23Å; A212-V216 VanDerWaalsContact O-N 3.12Å
213M92.1Very high95.2Very high44 Ų4475 Ų7522%0.21738%0.379CS..Hα-helixtrans-59.9-43.9173.6-71.8-169.4-67.100111.9I145 F185 Q209 I210 K215 V216 Y217I145-M213 HydrophobicContact CD1-CE 4.37Å; F185-M213 HydrophobicContact CE2-CB 3.93Å; F185-M213 HydrophobicContact CZ-CB 3.92Å; F185-M213 HydrophobicContact CZ-CE 4.48Å; Q209-M213 WeakPolarHBondContact O-CG 3.37Å; Q209-M213 PolarHBondContact O-N 2.65Å; I210-M213 HydrophobicContact CB-CE 4.39Å; I210-M213 HydrophobicContact CG1-CE 4.12Å; I210-M213 WeakPolarHBondContact O-CB 3.38Å; I210-M213 PolarHBondContact O-N 3.43Å; I210-M213 VanDerWaalsContact O-N 3.11Å; M213-K215 VanDerWaalsContact C-N 3.31Å; M213-K215 PolarHBondContact O-N 3.21Å; M213-V216 PolarHBondContact O-N 3.26Å; M213-V216 VanDerWaalsContact O-N 3.17Å; M213-Y217 HydrophobicContact CB-CD2 4.01Å; M213-Y217 HydrophobicContact CB-CE2 4.2Å; M213-Y217 HydrophobicContact CG-CE2 4.23Å; M213-Y217 WeakPolarHBondContact O-CB 3.39Å; M213-Y217 WeakPolarHBondContact O-CD2 3.44Å; M213-Y217 PolarHBondContact O-N 3.47Å
214M93.6Very high95.2Very high29 Ų2974.6 Ų74.614%0.14338%0.382CS..Hα-helixtrans-60.1-40.8177-69.7170.86100112F185 L191 I194 I210 K211 A212 V216 G218 I219F185-M214 HydrophobicContact CB-CG 4.32Å; F185-M214 HydrophobicContact CD1-CG 3.7Å; F185-M214 HydrophobicContact CD1-SD 4.44Å; F185-M214 HydrophobicContact CD2-CB 4.29Å; F185-M214 HydrophobicContact CD2-CG 3.71Å; F185-M214 HydrophobicContact CE1-CG 3.84Å; F185-M214 HydrophobicContact CE2-CB 4.46Å; F185-M214 HydrophobicContact CE2-CG 3.85Å; F185-M214 HydrophobicContact CG-CG 3.63Å; F185-M214 HydrophobicContact CZ-CG 3.91Å; L191-M214 HydrophobicContact CD1-CE 3.82Å; L191-M214 HydrophobicContact CD2-CE 4.16Å; L191-M214 HydrophobicContact CD2-SD 4.2Å; L191-M214 HydrophobicContact CG-CE 4.42Å; I194-M214 HydrophobicContact CD1-SD 3.79Å; I210-M214 HydrophobicContact CG2-CG 4.4Å; I210-M214 HydrophobicContact CG2-SD 4.12Å; I210-M214 WeakPolarHBondContact O-CG 3.3Å; I210-M214 PolarHBondContact O-N 3.42Å; K211-M214 PolarHBondContact O-N 3.08Å; A212-M214 PolarHBondContact O-N 3.16Å; M214-V216 VanDerWaalsContact C-N 3.3Å; M214-V216 PolarHBondContact O-N 2.88Å; M214-G218 VanDerWaalsContact O-CA 3.28Å; M214-G218 WeakPolarHBondContact O-CA 3.35Å; M214-G218 PolarHBondContact O-N 2.88Å; M214-I219 HydrophobicContact CE-CD1 3.51Å; M214-I219 HydrophobicContact CE-CG1 4.11Å
215K93.3Very high95.3Very high192 Ų19272.9 Ų72.984%0.83537%0.373SS*.Hα-helixtrans-64.3-34.5177-169.6178.2-179.6179.60112.5K211 A212 M213K211-K215 PolarHBondContact O-N 3.3Å; A212-K215 PolarHBondContact O-N 2.79Å; M213-K215 VanDerWaalsContact C-N 3.31Å; M213-K215 PolarHBondContact O-N 3.21Å
216V93.1Very high95.4Very high114 Ų11465.4 Ų65.469%0.69134%0.338SS*.Hα-helixtrans-81.5-47.2-1791730000111.9A212 M213 M214A212-V216 WeakPolarHBondContact O-CG2 3.4Å; A212-V216 PolarHBondContact O-N 3.23Å; A212-V216 VanDerWaalsContact O-N 3.12Å; M213-V216 PolarHBondContact O-N 3.26Å; M213-V216 VanDerWaalsContact O-N 3.17Å; M214-V216 VanDerWaalsContact C-N 3.3Å; M214-V216 PolarHBondContact O-N 2.88Å
217Y92.3Very high95.5Very high145 Ų14564.2 Ų64.257%0.56934%0.34SS*.Hα-helixtrans-88.8-13.2-173.6-64-61.3000113.8F185 M213 V247F185-Y217 HydrophobicContact CE2-CD2 4.36Å; M213-Y217 HydrophobicContact CB-CD2 4.01Å; M213-Y217 HydrophobicContact CB-CE2 4.2Å; M213-Y217 HydrophobicContact CG-CE2 4.23Å; M213-Y217 WeakPolarHBondContact O-CB 3.39Å; M213-Y217 WeakPolarHBondContact O-CD2 3.44Å; M213-Y217 PolarHBondContact O-N 3.47Å; Y217-V247 WeakPolarHBondContact O-CB 3.45Å; Y217-V247 VanDerWaalsContact O-CG2 3.32Å; Y217-V247 WeakPolarHBondContact O-CG2 3.37Å
218G95.8Very high95.7Very high24 Ų2462 Ų6225%0.24733%0.329CS..  trans76.2175.4-177.500000113.4M214M214-G218 VanDerWaalsContact O-CA 3.28Å; M214-G218 WeakPolarHBondContact O-CA 3.35Å; M214-G218 PolarHBondContact O-N 2.88Å
219I97.4Very high95.9Very high78 Ų7857 Ų5740%0.430%0.302SS..  trans-124.2130.2-177.8-55.8174.1000107.8F185 N187 L191 M214F185-I219 HydrophobicContact CB-CG1 4.4Å; N187-I219 HydrophobicContact CB-CG2 3.75Å; N187-I219 VanDerWaalsContact N-CG2 3.29Å; L191-I219 HydrophobicContact CD1-CG2 4.01Å; M214-I219 HydrophobicContact CE-CD1 3.51Å; M214-I219 HydrophobicContact CE-CG1 4.11Å
220L98Very high96.2Very high13 Ų1352.3 Ų52.37%0.06828%0.281CS..BIsolated β-bridgetrans-86.3150.1178.2-66.3164.5000111.3F185 V186 N187 T224 I225 I245 V247F185-L220 WeakPolarHBondContact O-CB 3.14Å; F185-L220 PolarHBondContact O-N 2.86Å; V186-L220 WeakPolarHBondContact CA-O 3.37Å; V186-L220 WeakPolarHBondContact CG1-O 3.23Å; V186-L220 HydrophobicContact CG2-CB 4.31Å; N187-L220 PolarHBondContact N-O 3.47Å; L220-T224 HydrophobicContact CD2-CG2 4.24Å; L220-I225 HydrophobicContact CB-CD1 4.39Å; L220-I225 HydrophobicContact CD1-CD1 3.9Å; L220-I245 HydrophobicContact CD1-CB 4.44Å; L220-I245 HydrophobicContact CD1-CG2 3.97Å; L220-I245 VanDerWaalsContact CD1-O 3.31Å; L220-I245 WeakPolarHBondContact CD1-O 3.5Å; L220-V247 HydrophobicContact CD2-CB 4.47Å; L220-V247 HydrophobicContact CD2-CG2 3.71Å; L220-V247 HydrophobicContact CG-CG2 3.93Å
221D97.9Very high96.4Very high96 Ų9654.8 Ų54.851%0.51330%0.296SS..  trans-76.3140.8165.2-73.4-59.3000111.1S223 T224D221-S223 PolarHBondContact O-N 2.84Å; D221-S223 VanDerWaalsContact O-N 3.13Å; D221-T224 VanDerWaalsContact O-CB 3.3Å; D221-T224 WeakPolarHBondContact O-CB 3.2Å; D221-T224 PolarHBondContact O-N 2.55Å; D221-T224 PolarHBondContact O-OG1 2.92Å
222P98.3Very high96.7Very high25 Ų2551.6 Ų51.616%0.16228%0.282CS..Hα-helixtrans-51.4-34.8175.7-30.436.9000114.3A20 V186 N187 T188 T224 I225 A226A20-P222 HydrophobicContact CB-CB 3.63Å; V186-P222 HydrophobicContact CG1-CB 4.42Å; V186-P222 HydrophobicContact CG1-CG 4.01Å; N187-P222 WeakPolarHBondContact O-CG 3.47Å; T188-P222 HydrophobicContact CG2-CG 4.2Å; P222-T224 PolarHBondContact O-N 3.47Å; P222-I225 WeakPolarHBondContact O-CB 3.44Å; P222-I225 PolarHBondContact O-N 3.5Å; P222-A226 PolarHBondContact O-N 2.91Å; P222-A226 VanDerWaalsContact O-N 3.13Å
223S97.4Very high96.9Very high69 Ų6949.1 Ų49.148%0.48326%0.261SS..Hα-helixtrans-60.8-31.9176.657.30000113D221 I225 A226 N227D221-S223 PolarHBondContact O-N 2.84Å; D221-S223 VanDerWaalsContact O-N 3.13Å; S223-I225 VanDerWaalsContact C-N 3.25Å; S223-I225 PolarHBondContact O-N 3.43Å; S223-A226 WeakPolarHBondContact O-CB 3.45Å; S223-A226 PolarHBondContact O-N 2.8Å; S223-N227 PolarHBondContact O-N 3.42Å; S223-N227 VanDerWaalsContact O-N 3.08Å
224T98.1Very high97.2Very high42 Ų4251.3 Ų51.326%0.25827%0.271SS..Hα-helixtrans-64.3-35.9175.3-51.90000111L220 D221 P222 A226 N227 I245L220-T224 HydrophobicContact CD2-CG2 4.24Å; D221-T224 VanDerWaalsContact O-CB 3.3Å; D221-T224 WeakPolarHBondContact O-CB 3.2Å; D221-T224 PolarHBondContact O-N 2.55Å; D221-T224 PolarHBondContact O-OG1 2.92Å; P222-T224 PolarHBondContact O-N 3.47Å; T224-A226 VanDerWaalsContact C-N 3.34Å; T224-N227 PolarHBondContact O-N 2.89Å; T224-I245 HydrophobicContact CG2-CG2 3.96Å
225I98.7Very high97.3Very high0 Ų052.7 Ų52.70%028%0.279CS..Hα-helixtrans-70.3-38.7177-45.1-51000109.8I17 F21 M136 I181 P183 V186 L220 P222 S223 N227 G228 L229 I245I17-I225 HydrophobicContact CD1-CG1 4.39Å; I17-I225 HydrophobicContact CG1-CG1 4.3Å; I17-I225 HydrophobicContact CG2-CB 4.26Å; I17-I225 HydrophobicContact CG2-CG2 3.91Å; F21-I225 HydrophobicContact CE1-CB 4.25Å; F21-I225 HydrophobicContact CE1-CG2 3.8Å; F21-I225 HydrophobicContact CZ-CG2 3.75Å; M136-I225 HydrophobicContact CE-CG2 4.16Å; I181-I225 HydrophobicContact CG2-CG2 4Å; P183-I225 HydrophobicContact CB-CD1 3.84Å; P183-I225 HydrophobicContact CG-CD1 4.17Å; P183-I225 HydrophobicContact CG-CG2 3.97Å; V186-I225 HydrophobicContact CG1-CG1 4.02Å; V186-I225 HydrophobicContact CG2-CD1 3.86Å; V186-I225 HydrophobicContact CG2-CG1 3.91Å; L220-I225 HydrophobicContact CB-CD1 4.39Å; L220-I225 HydrophobicContact CD1-CD1 3.9Å; P222-I225 WeakPolarHBondContact O-CB 3.44Å; P222-I225 PolarHBondContact O-N 3.5Å; S223-I225 VanDerWaalsContact C-N 3.25Å; S223-I225 PolarHBondContact O-N 3.43Å; I225-N227 VanDerWaalsContact C-N 3.31Å; I225-N227 PolarHBondContact O-N 2.9Å; I225-G228 WeakPolarHBondContact O-CA 3.46Å; I225-G228 PolarHBondContact O-N 3.2Å; I225-L229 PolarHBondContact O-N 3.14Å; I225-L229 VanDerWaalsContact O-N 3.08Å; I225-I245 HydrophobicContact CD1-CB 4.05Å; I225-I245 HydrophobicContact CD1-CD1 4.15Å; I225-I245 HydrophobicContact CD1-CG2 3.9Å; I225-I245 HydrophobicContact CG2-CD1 4.24Å
226A98.7Very high97.4Very high3 Ų348 Ų483%0.02526%0.263CS..Hα-helixtrans-61.8-35.4176.700000113.2A20 F21 A24 P222 S223 T224 G228 L229 I230A20-A226 HydrophobicContact CB-CB 4.3Å; A20-A226 WeakPolarHBondContact O-CB 3.44Å; F21-A226 HydrophobicContact CD1-CB 3.89Å; F21-A226 HydrophobicContact CE1-CB 4.38Å; A24-A226 HydrophobicContact CB-CB 3.71Å; P222-A226 PolarHBondContact O-N 2.91Å; P222-A226 VanDerWaalsContact O-N 3.13Å; S223-A226 WeakPolarHBondContact O-CB 3.45Å; S223-A226 PolarHBondContact O-N 2.8Å; T224-A226 VanDerWaalsContact C-N 3.34Å; A226-G228 VanDerWaalsContact C-N 3.28Å; A226-G228 PolarHBondContact O-N 3.04Å; A226-L229 WeakPolarHBondContact O-CB 3.41Å; A226-L229 PolarHBondContact O-N 3.01Å; A226-L229 VanDerWaalsContact O-N 3.16Å; A226-I230 WeakPolarHBondContact O-CG1 3.43Å; A226-I230 PolarHBondContact O-N 2.88Å
227N98.4Very high97.5Very high94 Ų9449.4 Ų49.450%0.50327%0.267SS..Hα-helixtrans-61.2-37.7171.9-64.6-21.3000112.3S223 T224 I225 I230 T231 I251S223-N227 PolarHBondContact O-N 3.42Å; S223-N227 VanDerWaalsContact O-N 3.08Å; T224-N227 PolarHBondContact O-N 2.89Å; I225-N227 VanDerWaalsContact C-N 3.31Å; I225-N227 PolarHBondContact O-N 2.9Å; N227-I230 PolarHBondContact O-N 3.17Å; N227-T231 PolarHBondContact O-N 3.37Å; N227-T231 PolarHBondContact O-OG1 3.14Å; N227-I251 HydrophobicContact CB-CD1 4.27Å
228G98.6Very high97.8Very high0 Ų044.3 Ų44.30%025%0.248CC..Hα-helixtrans-65.3-39.5173.900000112.9I225 A226 T231 L232 M243I225-G228 WeakPolarHBondContact O-CA 3.46Å; I225-G228 PolarHBondContact O-N 3.2Å; A226-G228 VanDerWaalsContact C-N 3.28Å; A226-G228 PolarHBondContact O-N 3.04Å; G228-T231 WeakPolarHBondContact O-CB 3.39Å; G228-T231 PolarHBondContact O-N 3.05Å; G228-L232 PolarHBondContact O-N 3.07Å; G228-L232 VanDerWaalsContact O-N 3.09Å; G228-M243 WeakPolarHBondContact CA-SD 3.34Å
229L98.8Very high97.9Very high0 Ų045.2 Ų45.20%025%0.247CC..Hα-helixtrans-57.7-52173173.368.1000111.4F21 L25 V89 I134 I181 I225 A226 T231 L232 I233F21-L229 HydrophobicContact CB-CD2 3.58Å; F21-L229 HydrophobicContact CD1-CB 3.86Å; F21-L229 HydrophobicContact CD1-CD2 3.44Å; F21-L229 VanDerWaalsContact CD1-CD2 3.44Å; F21-L229 HydrophobicContact CD1-CG 4.24Å; F21-L229 HydrophobicContact CD2-CD2 4.16Å; F21-L229 HydrophobicContact CE1-CB 3.67Å; F21-L229 HydrophobicContact CE1-CD2 4.04Å; F21-L229 HydrophobicContact CE1-CG 4.4Å; F21-L229 HydrophobicContact CG-CD2 3.49Å; F21-L229 VanDerWaalsContact CG-CD2 3.49Å; F21-L229 HydrophobicContact CZ-CB 4.33Å; L25-L229 HydrophobicContact CD1-CD2 4.12Å; L25-L229 HydrophobicContact CG-CD2 4.22Å; V89-L229 HydrophobicContact CG1-CD1 4.48Å; V89-L229 HydrophobicContact CG2-CD1 3.84Å; V89-L229 HydrophobicContact CG2-CD2 4.2Å; I134-L229 HydrophobicContact CB-CD1 3.95Å; I134-L229 HydrophobicContact CG1-CD1 3.67Å; I134-L229 HydrophobicContact CG2-CD1 3.87Å; I181-L229 HydrophobicContact CD1-CB 4.14Å; I225-L229 PolarHBondContact O-N 3.14Å; I225-L229 VanDerWaalsContact O-N 3.08Å; A226-L229 WeakPolarHBondContact O-CB 3.41Å; A226-L229 PolarHBondContact O-N 3.01Å; A226-L229 VanDerWaalsContact O-N 3.16Å; L229-T231 VanDerWaalsContact C-N 3.3Å; L229-T231 PolarHBondContact O-N 3.43Å; L229-L232 PolarHBondContact O-N 2.88Å; L229-I233 HydrophobicContact CD1-CD1 3.84Å; L229-I233 HydrophobicContact CD1-CG1 4.36Å; L229-I233 HydrophobicContact CD2-CD1 4.46Å; L229-I233 HydrophobicContact CG-CD1 3.78Å; L229-I233 WeakPolarHBondContact O-CG1 3.42Å; L229-I233 PolarHBondContact O-N 3.43Å; L229-I233 VanDerWaalsContact O-N 3.15Å
230I98.8Very high97.9Very high8 Ų842.5 Ų42.54%0.04124%0.238CC..Hα-helixtrans-59.8-43179.7-60.9-58.1000110.8V3 A24 L25 A226 N227 L232 I233 E234V3-I230 HydrophobicContact CG2-CD1 4.45Å; A24-I230 HydrophobicContact CB-CD1 4.35Å; A24-I230 HydrophobicContact CB-CG1 4.27Å; L25-I230 HydrophobicContact CD2-CD1 4.22Å; A226-I230 WeakPolarHBondContact O-CG1 3.43Å; A226-I230 PolarHBondContact O-N 2.88Å; N227-I230 PolarHBondContact O-N 3.17Å; I230-L232 VanDerWaalsContact C-N 3.33Å; I230-L232 PolarHBondContact O-N 3.43Å; I230-I233 PolarHBondContact O-N 2.81Å; I230-I233 VanDerWaalsContact O-N 3.08Å; I230-E234 HydrophobicContact CG2-CG 4.04Å; I230-E234 PolarHBondContact O-N 3.36Å
231T98.5Very high97.9Very high55 Ų5542.7 Ų42.734%0.33724%0.241SC..Hα-helixtrans-55-45.9176.3-58.40000112.2N227 G228 L229 I233 D235 F238 M243N227-T231 PolarHBondContact O-N 3.37Å; N227-T231 PolarHBondContact O-OG1 3.14Å; G228-T231 WeakPolarHBondContact O-CB 3.39Å; G228-T231 PolarHBondContact O-N 3.05Å; L229-T231 VanDerWaalsContact C-N 3.3Å; L229-T231 PolarHBondContact O-N 3.43Å; T231-I233 VanDerWaalsContact C-N 3.31Å; T231-I233 PolarHBondContact O-N 2.86Å; T231-D235 PolarHBondContact O-N 2.93Å; T231-F238 HydrophobicContact CG2-CE2 4.22Å; T231-M243 HydrophobicContact CG2-CE 4.05Å
232L98.6Very high97.9Very high0 Ų038.3 Ų38.30%022%0.218CC..Hα-helixtrans-68.4-28.4179-71.4174.5000113.5I134 R177 N179 I181 G228 L229 I230 F238 A241 M243 F253I134-L232 HydrophobicContact CD1-CB 3.65Å; I134-L232 HydrophobicContact CD1-CD1 3.82Å; I134-L232 HydrophobicContact CD1-CG 4.35Å; I134-L232 HydrophobicContact CG2-CD1 4.46Å; R177-L232 PolarHBondContact NH1-O 3.23Å; R177-L232 PolarHBondContact NH2-O 3.43Å; N179-L232 HydrophobicContact CB-CD1 4.03Å; N179-L232 HydrophobicContact CB-CD2 4.06Å; I181-L232 HydrophobicContact CD1-CD1 4.05Å; I181-L232 HydrophobicContact CG1-CD1 3.56Å; G228-L232 PolarHBondContact O-N 3.07Å; G228-L232 VanDerWaalsContact O-N 3.09Å; L229-L232 PolarHBondContact O-N 2.88Å; I230-L232 VanDerWaalsContact C-N 3.33Å; I230-L232 PolarHBondContact O-N 3.43Å; L232-F238 HydrophobicContact CD2-CB 3.97Å; L232-F238 HydrophobicContact CD2-CD2 3.84Å; L232-F238 HydrophobicContact CD2-CG 3.87Å; L232-A241 HydrophobicContact CD2-CB 4.34Å; L232-M243 HydrophobicContact CD1-CB 4.23Å; L232-M243 HydrophobicContact CD1-CE 4.12Å; L232-M243 HydrophobicContact CD1-SD 4.1Å; L232-M243 HydrophobicContact CD2-CE 3.71Å; L232-M243 HydrophobicContact CG-CE 3.53Å; L232-M243 HydrophobicContact CG-SD 4.14Å; L232-F253 HydrophobicContact CD2-CE1 4.06Å
233I98.6Very high98Very high0 Ų037.1 Ų37.10%021%0.21CC..Hα-helixtrans-78.5-44.6178.7-63.5163.1000110.4M1 V3 L25 I87 V132 R177 L229 I230 T231M1-I233 HydrophobicContact CG-CG2 3.86Å; M1-I233 VanDerWaalsContact CG-O 3.31Å; M1-I233 WeakPolarHBondContact CG-O 3.46Å; M1-I233 PolarHBondContact N-O 2.84Å; M1-I233 HydrophobicContact SD-CG2 4.32Å; V3-I233 HydrophobicContact CG2-CB 4.37Å; V3-I233 HydrophobicContact CG2-CG2 3.73Å; L25-I233 HydrophobicContact CD2-CD1 3.76Å; I87-I233 HydrophobicContact CD1-CD1 4.17Å; I87-I233 HydrophobicContact CD1-CG2 4.03Å; I87-I233 HydrophobicContact CG1-CG2 4.34Å; I87-I233 HydrophobicContact CG2-CD1 4.04Å; I87-I233 HydrophobicContact CG2-CG1 4.49Å; V132-I233 HydrophobicContact CG1-CB 4.43Å; V132-I233 HydrophobicContact CG1-CG1 3.93Å; V132-I233 HydrophobicContact CG1-CG2 4.21Å; R177-I233 PolarHBondContact NH2-O 2.93Å; L229-I233 HydrophobicContact CD1-CD1 3.84Å; L229-I233 HydrophobicContact CD1-CG1 4.36Å; L229-I233 HydrophobicContact CD2-CD1 4.46Å; L229-I233 HydrophobicContact CG-CD1 3.78Å; L229-I233 WeakPolarHBondContact O-CG1 3.42Å; L229-I233 PolarHBondContact O-N 3.43Å; L229-I233 VanDerWaalsContact O-N 3.15Å; I230-I233 PolarHBondContact O-N 2.81Å; I230-I233 VanDerWaalsContact O-N 3.08Å; T231-I233 VanDerWaalsContact C-N 3.31Å; T231-I233 PolarHBondContact O-N 2.86Å
234E98.1Very high98Very high90 Ų9035.3 Ų35.342%0.42119%0.194SC..Hα-helixtrans-76-35.7-172.6-67.8-167.9146.700113.2M1 V3 H28 I230M1-E234 PolarHBondContact N-O 3.32Å; M1-E234 WeakPolarHBondContact O-CA 3.45Å; V3-E234 HydrophobicContact CG2-CG 3.86Å; H28-E234 IonicContact CD2-OE1 3.39Å; I230-E234 HydrophobicContact CG2-CG 4.04Å; I230-E234 PolarHBondContact O-N 3.36Å
235D97.1Very high98.1Very high59 Ų5933.3 Ų33.332%0.31618%0.181SC..  trans-86.7113.3175.8-171.2-14.9000111.6R177 T231 N237 F238R177-D235 PolarHBondContact NH1-O 3.17Å; T231-D235 PolarHBondContact O-N 2.93Å; D235-N237 PolarHBondContact O-N 2.8Å; D235-N237 VanDerWaalsContact OD1-CB 3.24Å; D235-N237 WeakPolarHBondContact OD1-CB 3.46Å; D235-N237 PolarHBondContact OD1-N 3.1Å; D235-N237 PolarHBondContact OD1-ND2 3.13Å; D235-F238 HydrophobicContact CB-CD2 3.63Å; D235-F238 HydrophobicContact CB-CE2 3.58Å; D235-F238 WeakPolarHBondContact OD2-CE2 3.1Å
236D94.4Very high98Very high93 Ų9334.3 Ų34.350%0.49719%0.187SC..THydrogen-bonded Turntrans-77.2-6.8-178.1-70.9-38.3000114M1 R177 F238M1-D236 PolarHBondContact N-OD1 3.03Å; M1-D236 PolarHBondContact N-OD2 3.43Å; R177-D236 WeakPolarHBondContact CD-O 3.41Å; R177-D236 IonicContact CZ-OD1 2.75Å; R177-D236 IonicContact NE-OD1 2.69Å; R177-D236 PolarHBondContact NE-OD1 3.23Å; R177-D236 IonicContact NH2-OD1 3.47Å; R177-D236 PolarHBondContact NH2-OD1 3.5Å; R177-D236 VanDerWaalsContact NH2-OD1 3.12Å; D236-F238 VanDerWaalsContact C-N 3.29Å; D236-F238 PolarHBondContact O-N 2.86Å
237N95.3Very high98Very high143 Ų14338 Ų3877%0.76521%0.21SC*.THydrogen-bonded Turntrans-76-17.7176-59.3-58.6000112.8D235 N239D235-N237 PolarHBondContact O-N 2.8Å; D235-N237 VanDerWaalsContact OD1-CB 3.24Å; D235-N237 WeakPolarHBondContact OD1-CB 3.46Å; D235-N237 PolarHBondContact OD1-N 3.1Å; D235-N237 PolarHBondContact OD1-ND2 3.13Å; N237-N239 PolarHBondContact O-N 3.25Å
238F97.5Very high97.8Very high39 Ų3938.5 Ų38.517%0.17122%0.22CC..  trans-82.8105.9-178.9-64.6-54.1000112.3R177 N179 T231 L232 D235 D236 A241 F253R177-F238 VanDerWaalsContact CD-O 3.32Å; R177-F238 WeakPolarHBondContact CD-O 3.31Å; R177-F238 PolarHBondContact NH1-O 3.03Å; N179-F238 PolarHBondContact ND2-O 3.35Å; N179-F238 PolarHBondContact OD1-O 2.92Å; T231-F238 HydrophobicContact CG2-CE2 4.22Å; L232-F238 HydrophobicContact CD2-CB 3.97Å; L232-F238 HydrophobicContact CD2-CD2 3.84Å; L232-F238 HydrophobicContact CD2-CG 3.87Å; D235-F238 HydrophobicContact CB-CD2 3.63Å; D235-F238 HydrophobicContact CB-CE2 3.58Å; D235-F238 WeakPolarHBondContact OD2-CE2 3.1Å; D236-F238 VanDerWaalsContact C-N 3.29Å; D236-F238 PolarHBondContact O-N 2.86Å; F238-A241 HydrophobicContact CB-CB 4.03Å; F238-A241 HydrophobicContact CD1-CB 3.7Å; F238-A241 HydrophobicContact CG-CB 4.16Å; F238-F253 HydrophobicContact CD1-CE1 4.04Å; F238-F253 HydrophobicContact CD1-CZ 4.16Å; F238-F253 HydrophobicContact CE1-CD1 4.39Å; F238-F253 AromaticContact CE1-CE1 3.68Å; F238-F253 HydrophobicContact CE1-CE1 3.68Å; F238-F253 AromaticContact CE1-CE2 3.91Å; F238-F253 HydrophobicContact CE1-CE2 3.91Å; F238-F253 AromaticContact CE1-CZ 3.41Å; F238-F253 HydrophobicContact CE1-CZ 3.41Å; F238-F253 VanDerWaalsContact CE1-CZ 3.41Å; F238-F253 AromaticContact CE2-CZ 3.94Å; F238-F253 HydrophobicContact CE2-CZ 3.94Å; F238-F253 HydrophobicContact CZ-CE1 4.02Å; F238-F253 AromaticContact CZ-CE2 3.76Å; F238-F253 HydrophobicContact CZ-CE2 3.76Å; F238-F253 AromaticContact CZ-CZ 3.29Å; F238-F253 HydrophobicContact CZ-CZ 3.29Å
239N97.9Very high97.8Very high43 Ų4345.7 Ų45.723%0.2325%0.252CS..SBendtrans-136.6122.4162.7-172.928.9000109.8A166 N170 R177 L178 N179 N237 A241A166-N239 VanDerWaalsContact CB-OD1 3.26Å; A166-N239 WeakPolarHBondContact CB-OD1 3.29Å; A166-N239 PolarHBondContact O-ND2 3.29Å; N170-N239 PolarHBondContact OD1-ND2 3.44Å; R177-N239 WeakPolarHBondContact CA-OD1 3.26Å; R177-N239 HydrophobicContact CB-CB 4.35Å; R177-N239 HydrophobicContact CG-CB 4.26Å; L178-N239 PolarHBondContact N-OD1 3.29Å; N179-N239 WeakPolarHBondContact OD1-CA 3.45Å; N179-N239 PolarHBondContact OD1-N 2.7Å; N237-N239 PolarHBondContact O-N 3.25Å; N239-A241 VanDerWaalsContact C-N 3.31Å
240G98Very high97.7Very high20 Ų2047 Ų4721%0.20627%0.265CS..SBendtrans80.510.1-172.300000114L178 N179L178-G240 VanDerWaalsContact O-CA 3.3Å; L178-G240 WeakPolarHBondContact O-CA 3.44Å; L178-G240 PolarHBondContact O-N 2.66Å; N179-G240 PolarHBondContact OD1-N 2.94Å; N179-G240 VanDerWaalsContact OD1-N 3.14Å
241A98.4Very high97.7Very high17 Ų1749.5 Ų49.514%0.1428%0.278CS..  trans-70.5135.3-179.700000111.1N179 A180 L232 F238 N239 F253N179-A241 WeakPolarHBondContact CA-O 3.38Å; N179-A241 HydrophobicContact CB-CB 4.44Å; N179-A241 WeakPolarHBondContact CB-O 3.45Å; N179-A241 VanDerWaalsContact OD1-CB 3.3Å; N179-A241 WeakPolarHBondContact OD1-CB 3.29Å; N179-A241 PolarHBondContact OD1-N 3.25Å; A180-A241 PolarHBondContact N-O 3.16Å; L232-A241 HydrophobicContact CD2-CB 4.34Å; F238-A241 HydrophobicContact CB-CB 4.03Å; F238-A241 HydrophobicContact CD1-CB 3.7Å; F238-A241 HydrophobicContact CG-CB 4.16Å; N239-A241 VanDerWaalsContact C-N 3.31Å; A241-F253 HydrophobicContact CB-CD1 4.07Å; A241-F253 HydrophobicContact CB-CE1 4Å
242I98.8Very high97.7Very high4 Ų448.7 Ų48.72%0.02127%0.27CS..EExtended strand (participates in β ladder)trans-110.492.8174.8-56.6-56.9000107.5L142 I159 R163 A180 C182 Q254 Y256L142-I242 HydrophobicContact CD1-CG2 4.28Å; L142-I242 HydrophobicContact CD2-CG2 4.43Å; I159-I242 HydrophobicContact CG1-CD1 4.37Å; I159-I242 HydrophobicContact CG1-CG2 4.41Å; I159-I242 HydrophobicContact CG2-CD1 4.23Å; I159-I242 HydrophobicContact CG2-CG1 4.36Å; R163-I242 HydrophobicContact CG-CD1 3.89Å; R163-I242 HydrophobicContact CG-CG1 3.98Å; A180-I242 HydrophobicContact CB-CD1 3.72Å; C182-I242 VanDerWaalsContact SG-CG2 3.57Å; I242-Q254 HydrophobicContact CB-CB 4.04Å; I242-Q254 HydrophobicContact CG2-CB 3.94Å; I242-Q254 PolarHBondContact O-N 3.1Å; I242-Y256 HydrophobicContact CB-CE2 4.11Å; I242-Y256 HydrophobicContact CG1-CE2 3.76Å
243M98.8Very high97.7Very high0 Ų051.8 Ų51.80%028%0.284CS..EExtended strand (participates in β ladder)trans-79.5128.2-178.5178.9179.2-79.100109.9A180 I181 C182 G228 T231 L232 I245 I251 H252 F253A180-M243 PolarHBondContact O-N 3.43Å; I181-M243 CarbonylContact C-O 3.51Å; I181-M243 WeakPolarHBondContact CA-O 3.43Å; I181-M243 HydrophobicContact CG1-SD 4.42Å; C182-M243 WeakPolarHBondContact CA-O 3.4Å; C182-M243 WeakPolarHBondContact CB-O 3.32Å; C182-M243 PolarHBondContact N-O 3.03Å; G228-M243 WeakPolarHBondContact CA-SD 3.34Å; T231-M243 HydrophobicContact CG2-CE 4.05Å; L232-M243 HydrophobicContact CD1-CB 4.23Å; L232-M243 HydrophobicContact CD1-CE 4.12Å; L232-M243 HydrophobicContact CD1-SD 4.1Å; L232-M243 HydrophobicContact CD2-CE 3.71Å; L232-M243 HydrophobicContact CG-CE 3.53Å; L232-M243 HydrophobicContact CG-SD 4.14Å; M243-I245 HydrophobicContact CG-CG1 4.11Å; M243-I245 HydrophobicContact SD-CD1 4.07Å; M243-I245 HydrophobicContact SD-CG1 4.27Å; M243-I251 HydrophobicContact CE-CG2 3.57Å; M243-I251 HydrophobicContact CG-CG2 4Å; M243-I251 HydrophobicContact SD-CG2 3.77Å; M243-H252 CarbonylContact C-O 3.51Å; M243-F253 HydrophobicContact CB-CD1 4.06Å; M243-F253 HydrophobicContact CB-CE1 3.79Å; M243-F253 HydrophobicContact CE-CE1 3.75Å; M243-F253 HydrophobicContact CE-CE2 4.4Å; M243-F253 HydrophobicContact CE-CZ 3.44Å; M243-F253 VanDerWaalsContact CE-CZ 3.44Å; M243-F253 HydrophobicContact CG-CE1 4.2Å
244K98.8Very high97.7Very high31 Ų3154.8 Ų54.814%0.13530%0.298CS..EExtended strand (participates in β ladder)trans-103.2140.5170-68.6174.3-70.5-174.10109.6L139 L142 C182 H252 F253 Q254L139-K244 HydrophobicContact CD2-CB 4.32Å; L139-K244 HydrophobicContact CD2-CD 4.11Å; L139-K244 HydrophobicContact CD2-CG 3.94Å; L142-K244 HydrophobicContact CD1-CD 3.76Å; L142-K244 HydrophobicContact CD1-CG 3.79Å; C182-K244 HydrophobicContact CB-CG 4.24Å; C182-K244 WeakPolarHBondContact O-CA 3.41Å; K244-H252 WeakPolarHBondContact CB-CE1 3.47Å; K244-H252 WeakPolarHBondContact CE-CD2 3.33Å; K244-H252 VanDerWaalsContact CE-NE2 3.25Å; K244-H252 WeakPolarHBondContact CE-NE2 3.39Å; K244-H252 PolarHBondContact N-O 2.81Å; K244-H252 PolarHBondContact O-N 3.31Å; K244-H252 PolarHBondContact O-ND1 3.23Å; K244-F253 VanDerWaalsContact CE-C 3.41Å; K244-F253 WeakPolarHBondContact CE-O 3.46Å; K244-F253 PolarHBondContact NZ-O 3.27Å; K244-Q254 HydrophobicContact CD-CB 4.33Å
245I98.6Very high97.4Very high0 Ų057.3 Ų57.30%031%0.314CS..EExtended strand (participates in β ladder)trans-129116.4174.4-49.2-179000108.1I181 C182 P183 G184 L220 T224 I225 M243 G250 I251I181-I245 HydrophobicContact CG2-CD1 3.77Å; I181-I245 HydrophobicContact CG2-CG1 4.22Å; C182-I245 PolarHBondContact O-N 3.47Å; P183-I245 CarbonylContact C-O 3.58Å; G184-I245 PolarHBondContact N-O 3.16Å; L220-I245 HydrophobicContact CD1-CB 4.44Å; L220-I245 HydrophobicContact CD1-CG2 3.97Å; L220-I245 VanDerWaalsContact CD1-O 3.31Å; L220-I245 WeakPolarHBondContact CD1-O 3.5Å; T224-I245 HydrophobicContact CG2-CG2 3.96Å; I225-I245 HydrophobicContact CD1-CB 4.05Å; I225-I245 HydrophobicContact CD1-CD1 4.15Å; I225-I245 HydrophobicContact CD1-CG2 3.9Å; I225-I245 HydrophobicContact CG2-CD1 4.24Å; M243-I245 HydrophobicContact CG-CG1 4.11Å; M243-I245 HydrophobicContact SD-CD1 4.07Å; M243-I245 HydrophobicContact SD-CG1 4.27Å; I245-G250 WeakPolarHBondContact CA-O 3.28Å; I245-I251 HydrophobicContact CD1-CG1 4.16Å; I245-I251 HydrophobicContact CG1-CG1 4.11Å; I245-I251 HydrophobicContact CG2-CG1 4.37Å
246T98.4Very high97Very high21 Ų2158.2 Ų58.213%0.12931%0.314CS..EExtended strand (participates in β ladder)trans-133.5154.2-175.755.10000109.7L139 S248 K249 G250 H252L139-T246 HydrophobicContact CD1-CG2 3.79Å; T246-S248 PolarHBondContact O-N 3.02Å; T246-K249 PolarHBondContact OG1-N 3.14Å; T246-G250 PolarHBondContact N-O 3.26Å; T246-G250 VanDerWaalsContact O-CA 3.25Å; T246-G250 WeakPolarHBondContact O-CA 3.2Å; T246-G250 PolarHBondContact O-N 3.05Å; T246-H252 PolarHBondContact OG1-CE1 3.3Å
247V97.1Very high96.3Very high82 Ų8261.2 Ų61.250%0.49733%0.33SS..THydrogen-bonded Turntrans-58.9-40.2173.5176.30000111.1Y217 L220Y217-V247 WeakPolarHBondContact O-CB 3.45Å; Y217-V247 VanDerWaalsContact O-CG2 3.32Å; Y217-V247 WeakPolarHBondContact O-CG2 3.37Å; L220-V247 HydrophobicContact CD2-CB 4.47Å; L220-V247 HydrophobicContact CD2-CG2 3.71Å; L220-V247 HydrophobicContact CG-CG2 3.93Å
248S95.8Very high94.8Very high103 Ų10362.2 Ų62.272%0.7233%0.333SS*.THydrogen-bonded Turntrans-74-32-173.356.80000114.9T246T246-S248 PolarHBondContact O-N 3.02Å
249K97.4Very high93Very high151 Ų15166.2 Ų66.266%0.65735%0.354SS*.THydrogen-bonded Turntrans-120.8-4.2-175.3-64.3-174.6176.8-175.70114.6T246T246-K249 PolarHBondContact OG1-N 3.14Å
250G98.1Very high90.9Very high27 Ų2769 Ų6928%0.27837%0.374SS..EExtended strand (participates in β ladder)trans58.7-142.1-168.200000111.5I245 T246 H252I245-G250 WeakPolarHBondContact CA-O 3.28Å; T246-G250 PolarHBondContact N-O 3.26Å; T246-G250 VanDerWaalsContact O-CA 3.25Å; T246-G250 WeakPolarHBondContact O-CA 3.2Å; T246-G250 PolarHBondContact O-N 3.05Å; G250-H252 PolarHBondContact O-ND1 3.37Å; G250-H252 VanDerWaalsContact O-ND1 3.11Å
251I98.3Very high88.8Confident62 Ų6273 Ų7332%0.31840%0.399SS..EExtended strand (participates in β ladder)trans-75.3122.3176.2-64165.6000109.5N227 M243 I245N227-I251 HydrophobicContact CB-CD1 4.27Å; M243-I251 HydrophobicContact CE-CG2 3.57Å; M243-I251 HydrophobicContact CG-CG2 4Å; M243-I251 HydrophobicContact SD-CG2 3.77Å; I245-I251 HydrophobicContact CD1-CG1 4.16Å; I245-I251 HydrophobicContact CG1-CG1 4.11Å; I245-I251 HydrophobicContact CG2-CG1 4.37Å
252H98.3Very high86.6Confident38 Ų3881.1 Ų81.118%0.17643%0.432CS..EExtended strand (participates in β ladder)trans-152.1177.617464.2-67.3000109.6M243 K244 T246 G250M243-H252 CarbonylContact C-O 3.51Å; K244-H252 WeakPolarHBondContact CB-CE1 3.47Å; K244-H252 WeakPolarHBondContact CE-CD2 3.33Å; K244-H252 VanDerWaalsContact CE-NE2 3.25Å; K244-H252 WeakPolarHBondContact CE-NE2 3.39Å; K244-H252 PolarHBondContact N-O 2.81Å; K244-H252 PolarHBondContact O-N 3.31Å; K244-H252 PolarHBondContact O-ND1 3.23Å; T246-H252 PolarHBondContact OG1-CE1 3.3Å; G250-H252 PolarHBondContact O-ND1 3.37Å; G250-H252 VanDerWaalsContact O-ND1 3.11Å
253F98.3Very high84.1Confident64 Ų6486 Ų8628%0.28146%0.461SS..EExtended strand (participates in β ladder)trans-119.2154.7-174.4-64.4-89.3000112.3L232 F238 A241 M243 K244L232-F253 HydrophobicContact CD2-CE1 4.06Å; F238-F253 HydrophobicContact CD1-CE1 4.04Å; F238-F253 HydrophobicContact CD1-CZ 4.16Å; F238-F253 HydrophobicContact CE1-CD1 4.39Å; F238-F253 AromaticContact CE1-CE1 3.68Å; F238-F253 HydrophobicContact CE1-CE1 3.68Å; F238-F253 AromaticContact CE1-CE2 3.91Å; F238-F253 HydrophobicContact CE1-CE2 3.91Å; F238-F253 AromaticContact CE1-CZ 3.41Å; F238-F253 HydrophobicContact CE1-CZ 3.41Å; F238-F253 VanDerWaalsContact CE1-CZ 3.41Å; F238-F253 AromaticContact CE2-CZ 3.94Å; F238-F253 HydrophobicContact CE2-CZ 3.94Å; F238-F253 HydrophobicContact CZ-CE1 4.02Å; F238-F253 AromaticContact CZ-CE2 3.76Å; F238-F253 HydrophobicContact CZ-CE2 3.76Å; F238-F253 AromaticContact CZ-CZ 3.29Å; F238-F253 HydrophobicContact CZ-CZ 3.29Å; A241-F253 HydrophobicContact CB-CD1 4.07Å; A241-F253 HydrophobicContact CB-CE1 4Å; M243-F253 HydrophobicContact CB-CD1 4.06Å; M243-F253 HydrophobicContact CB-CE1 3.79Å; M243-F253 HydrophobicContact CE-CE1 3.75Å; M243-F253 HydrophobicContact CE-CE2 4.4Å; M243-F253 HydrophobicContact CE-CZ 3.44Å; M243-F253 VanDerWaalsContact CE-CZ 3.44Å; M243-F253 HydrophobicContact CG-CE1 4.2Å; K244-F253 VanDerWaalsContact CE-C 3.41Å; K244-F253 WeakPolarHBondContact CE-O 3.46Å; K244-F253 PolarHBondContact NZ-O 3.27Å
254Q97.8Very high81.2Confident63 Ų6395.1 Ų95.129%0.29450%0.501SS..  trans-84.3122.9169.3179.861.628.200109L142 I242 K244 Y256L142-Q254 HydrophobicContact CD1-CB 4.27Å; L142-Q254 HydrophobicContact CD1-CG 4.3Å; L142-Q254 HydrophobicContact CD2-CG 4.1Å; I242-Q254 HydrophobicContact CB-CB 4.04Å; I242-Q254 HydrophobicContact CG2-CB 3.94Å; I242-Q254 PolarHBondContact O-N 3.1Å; K244-Q254 HydrophobicContact CD-CB 4.33Å; Q254-Y256 HydrophobicContact CB-CE2 4.04Å; Q254-Y256 HydrophobicContact CG-CD2 4.06Å; Q254-Y256 HydrophobicContact CG-CE1 4.31Å; Q254-Y256 HydrophobicContact CG-CE2 3.49Å; Q254-Y256 VanDerWaalsContact CG-CE2 3.49Å
255D93.3Very high78.6Confident143 Ų143101.4 Ų101.477%0.76554%0.536SS*.  trans-82.4133.7171.1-61.8-42.6000109.4
256Y87.4Confident75.8Confident78 Ų78110.4 Ų110.431%0.30660%0.599SS.*  trans-122.3146.8169.6-70-81.3000108.3L142 I159 R163 I242 Q254 I258L142-Y256 WeakPolarHBondContact CD2-OH 3.31Å; I159-Y256 WeakPolarHBondContact CG2-OH 3.46Å; R163-Y256 VanDerWaalsContact NH1-CE1 3.31Å; R163-Y256 VanDerWaalsContact NH1-CG 3.35Å; R163-Y256 VanDerWaalsContact NH2-CB 3.29Å; I242-Y256 HydrophobicContact CB-CE2 4.11Å; I242-Y256 HydrophobicContact CG1-CE2 3.76Å; Q254-Y256 HydrophobicContact CB-CE2 4.04Å; Q254-Y256 HydrophobicContact CG-CD2 4.06Å; Q254-Y256 HydrophobicContact CG-CE1 4.31Å; Q254-Y256 HydrophobicContact CG-CE2 3.49Å; Q254-Y256 VanDerWaalsContact CG-CE2 3.49Å; Y256-I258 PolarHBondContact O-N 3.3Å
257D80.6Confident74.7Confident157 Ų157114.9 Ų114.984%0.8462%0.623SS**  trans-57.1135.9170.6-62.8-38.7000109.9M259D257-M259 PolarHBondContact O-N 2.94Å; D257-M259 VanDerWaalsContact O-N 3.11Å
258I64.6Low73.5Confident163 Ų163116.6 Ų116.684%0.83663%0.629SS**  trans-64.9114.1178-59173.4000107.1Y256Y256-I258 PolarHBondContact O-N 3.3Å
259M59.5Low72.3Confident123 Ų123117.4 Ų117.461%0.60662%0.624SS**  trans-59.1132.3168.3-76.4-104.6-158.900108.2D257 S261D257-M259 PolarHBondContact O-N 2.94Å; D257-M259 VanDerWaalsContact O-N 3.11Å; M259-S261 PolarHBondContact O-N 3.04Å
260P53.9Low70.8Confident101 Ų101115.4 Ų115.466%0.65662%0.622SS**  trans-51.4128.6174.1-23.632.3000109.7F262P260-F262 PolarHBondContact O-N 2.83Å
261S53.8Low69.1Low104 Ų104120.9 Ų120.973%0.72764%0.644SS**  trans-60.8113.2178.654.90000109.5M259 V263M259-S261 PolarHBondContact O-N 3.04Å; S261-V263 PolarHBondContact O-N 3.37Å
262F52.2Low67.1Low189 Ų189124.9 Ų124.983%0.82967%0.666SS**  trans-73.65.3171.1-71.8-76000113.2P260 K264P260-F262 PolarHBondContact O-N 2.83Å; F262-K264 PolarHBondContact O-N 3.44Å; F262-K264 VanDerWaalsContact O-N 3.16Å
263V44.8Very low64.9Low105 Ų105131.1 Ų131.164%0.63670%0.701SS**  trans-85.587.4173.7-169.60000107.7S261S261-V263 PolarHBondContact O-N 3.37Å
264K38.7Very low62.3Low193 Ų193136.2 Ų136.284%0.83973%0.733SS**  trans-71.8128.9150.2-86.3-176.4173.5-179.30106.9F262 S266F262-K264 PolarHBondContact O-N 3.44Å; F262-K264 VanDerWaalsContact O-N 3.16Å; K264-S266 PolarHBondContact O-N 2.85Å
265D43.2Very low59.4Low163 Ų163142.3 Ų142.387%0.87277%0.769SS**  trans-47.7124.2168.6-62.8-51.5000110.5
266S40.7Very low56.3Low189 Ų189142.3 Ų142.3100%1.32277%0.77SS**  trans-145.80160.765.90000109.4K264K264-S266 PolarHBondContact O-N 2.85Å

Retrieved 266 of 266 residues in 387.1 ms (Link to these results)

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