A0A087Y0T8_POEFO Loading...

Arachidonate 15-lipoxygenase type B

AlphaFold DB , UniProt , Accession A0A087Y0T8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 701 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
1M79.1Confident88.3Confident189 Ų18943.6 Ų43.693%0.93123%0.226SC*.  0133.60-87.5-173.4-111.800107.5E62 C63M1-E62 HydrophobicContact SD-CB 4.31Å; M1-C63 CarbonylContact C-O 3.59Å; M1-C63 VanDerWaalsContact CA-O 3.27Å; M1-C63 WeakPolarHBondContact CA-O 3.35Å
2V92.6Very high85.5Confident28 Ų2847 Ų4717%0.1724%0.244CC..EExtended strand (participates in β ladder)trans-117.1122.6-175179.20000105.9Y4 C63 P66 P98V2-Y4 HydrophobicContact CG1-CE2 3.98Å; V2-C63 PolarHBondContact N-O 3.22Å; V2-C63 PolarHBondContact O-N 2.84Å; V2-P66 HydrophobicContact CG1-CG 4.45Å; V2-P66 HydrophobicContact CG2-CG 4.11Å; V2-P98 HydrophobicContact CB-CG 4.46Å; V2-P98 HydrophobicContact CG1-CB 3.79Å; V2-P98 HydrophobicContact CG1-CG 3.05Å
3S94.1Very high82Confident39 Ų3950.4 Ų50.427%0.27326%0.262SS..EExtended strand (participates in β ladder)trans-107.2121.6-168.6-163.30000110.1E62S3-E62 VanDerWaalsContact CB-OE1 3.28Å; S3-E62 WeakPolarHBondContact CB-OE1 3.34Å; S3-E62 WeakPolarHBondContact CB-OE2 3.46Å; S3-E62 PolarHBondContact OG-OE1 2.75Å
4Y97.2Very high79.2Confident5 Ų551.4 Ų51.42%0.0228%0.282CS..EExtended strand (participates in β ladder)trans-99.5133.3171.9-70.4-101.3000109V2 L26 K60 V61 C63 L67 L70 V95 P98V2-Y4 HydrophobicContact CG1-CE2 3.98Å; Y4-L26 HydrophobicContact CD1-CD1 4.16Å; Y4-L26 HydrophobicContact CD2-CD1 4.38Å; Y4-L26 HydrophobicContact CG-CD1 3.81Å; Y4-K60 CarbonylContact O-C 3.51Å; Y4-K60 WeakPolarHBondContact O-CA 3.43Å; Y4-V61 PolarHBondContact N-O 3.17Å; Y4-V61 PolarHBondContact O-N 3.04Å; Y4-C63 HydrophobicContact CE2-CB 4.36Å; Y4-L67 HydrophobicContact CE2-CD1 4.06Å; Y4-L67 HydrophobicContact CE2-CG 3.98Å; Y4-L67 PolarHBondContact OH-N 3.13Å; Y4-L70 HydrophobicContact CD1-CD1 4.07Å; Y4-L70 HydrophobicContact CE1-CD1 4.1Å; Y4-L70 HydrophobicContact CE1-CD2 4.29Å; Y4-L70 HydrophobicContact CE1-CG 4.32Å; Y4-V95 HydrophobicContact CD1-CG1 3.98Å; Y4-P98 HydrophobicContact CD2-CG 4.28Å; Y4-P98 VanDerWaalsContact CE1-CD 3.45Å; Y4-P98 HydrophobicContact CE1-CG 4.32Å; Y4-P98 HydrophobicContact CE2-CG 3.97Å
5K96.9Very high76.9Confident83 Ų8351.7 Ų51.736%0.36128%0.28SS..EExtended strand (participates in β ladder)trans-96.5116.6177.3176.9-173.4164.1-154.40109.3T58 H59 V95 E96K5-T58 HydrophobicContact CD-CG2 4.26Å; K5-T58 HydrophobicContact CG-CG2 3.81Å; K5-H59 WeakPolarHBondContact CA-O 3.28Å; K5-V95 WeakPolarHBondContact O-CA 3.37Å; K5-E96 HydrophobicContact CB-CB 4.21Å; K5-E96 WeakPolarHBondContact CD-OE2 3.28Å; K5-E96 PolarHBondContact N-O 3.07Å; K5-E96 IonicContact NZ-OE2 3.86Å; K5-E96 PolarHBondContact NZ-OE2 3.29Å; K5-E96 PolarHBondContact O-N 3.09Å
6V96.1Very high75Confident0 Ų057.9 Ų57.90%030%0.304CS..EExtended strand (participates in β ladder)trans-106.9117.8-175.1-178.50000108.9I8 I24 L26 T58 H59 V61 V93 V95V6-I8 HydrophobicContact CG1-CD1 4.16Å; V6-I8 HydrophobicContact CG1-CG1 3.96Å; V6-I24 HydrophobicContact CG1-CD1 3.9Å; V6-L26 HydrophobicContact CG2-CD1 4.3Å; V6-L26 HydrophobicContact CG2-CD2 4.36Å; V6-T58 CarbonylContact O-C 3.09Å; V6-T58 WeakPolarHBondContact O-CA 3.26Å; V6-H59 PolarHBondContact N-O 3.34Å; V6-H59 PolarHBondContact O-N 3.23Å; V6-V61 HydrophobicContact CG2-CB 4.3Å; V6-V61 HydrophobicContact CG2-CG2 3.62Å; V6-V93 HydrophobicContact CG1-CG1 3.75Å; V6-V95 HydrophobicContact CG1-CG2 4.48Å; V6-V95 HydrophobicContact CG2-CG1 4.3Å; V6-V95 HydrophobicContact CG2-CG2 4.28Å
7N93.2Very high73.5Confident15 Ų1555.3 Ų55.38%0.0829%0.292CS..EExtended strand (participates in β ladder)trans-109.3121.5178.6-52.8-80000108.9Y9 P56 F57 T58 V93 V94N7-Y9 HydrophobicContact CB-CE2 4.05Å; N7-P56 HydrophobicContact CB-CB 3.9Å; N7-P56 HydrophobicContact CB-CG 4.19Å; N7-F57 WeakPolarHBondContact CA-O 3.45Å; N7-T58 WeakPolarHBondContact OD1-CG2 3.08Å; N7-T58 PolarHBondContact OD1-OG1 2.91Å; N7-V93 CarbonylContact O-C 3.19Å; N7-V93 WeakPolarHBondContact O-CA 3.43Å; N7-V94 HydrophobicContact CB-CB 4.32Å; N7-V94 PolarHBondContact N-O 2.88Å; N7-V94 PolarHBondContact ND2-O 3.37Å; N7-V94 PolarHBondContact O-N 3.29Å
8I89.5Confident72.5Confident1 Ų155.7 Ų55.71%0.00530%0.297CS..EExtended strand (participates in β ladder)trans-114.7124.3-174.3-60.5168.1000109.2V6 T10 F22 L38 P56 F57 W88 V93V6-I8 HydrophobicContact CG1-CD1 4.16Å; V6-I8 HydrophobicContact CG1-CG1 3.96Å; I8-T10 HydrophobicContact CG2-CG2 4.5Å; I8-F22 HydrophobicContact CD1-CE1 4.23Å; I8-F22 HydrophobicContact CD1-CE2 3.41Å; I8-F22 VanDerWaalsContact CD1-CE2 3.41Å; I8-F22 HydrophobicContact CD1-CZ 3.12Å; I8-L38 HydrophobicContact CD1-CD1 4.35Å; I8-P56 CarbonylContact O-C 3.56Å; I8-P56 VanDerWaalsContact O-CA 3.29Å; I8-P56 WeakPolarHBondContact O-CA 3.3Å; I8-F57 HydrophobicContact CB-CB 4.43Å; I8-F57 PolarHBondContact N-O 3.09Å; I8-F57 PolarHBondContact O-N 2.87Å; I8-W88 HydrophobicContact CG2-CZ2 3.97Å; I8-V93 HydrophobicContact CG1-CG1 4.22Å; I8-V93 HydrophobicContact CG1-CG2 4.2Å
9Y86.9Confident72.2Confident70 Ų7057.6 Ų57.628%0.27530%0.303SS..EExtended strand (participates in β ladder)trans-104.8119.3179.4-62.1-99.7000108.3N7 P56 A91 K92 V94N7-Y9 HydrophobicContact CB-CE2 4.05Å; Y9-P56 HydrophobicContact CD1-CB 3.94Å; Y9-P56 HydrophobicContact CD2-CB 4.03Å; Y9-P56 HydrophobicContact CE1-CB 3.66Å; Y9-P56 HydrophobicContact CE1-CG 3.83Å; Y9-P56 HydrophobicContact CE2-CB 3.75Å; Y9-P56 HydrophobicContact CE2-CG 4.28Å; Y9-P56 HydrophobicContact CG-CB 4.12Å; Y9-A91 WeakPolarHBondContact O-CB 3.42Å; Y9-A91 PolarHBondContact O-N 2.81Å; Y9-K92 HydrophobicContact CD2-CD 4.39Å; Y9-K92 HydrophobicContact CD2-CG 3.64Å; Y9-K92 HydrophobicContact CE2-CG 4.42Å; Y9-K92 HydrophobicContact CG-CG 3.92Å; Y9-K92 PolarHBondContact N-O 2.9Å; Y9-K92 PolarHBondContact O-N 3.4Å; Y9-V94 HydrophobicContact CD2-CG2 4.29Å; Y9-V94 HydrophobicContact CE2-CB 4.21Å; Y9-V94 HydrophobicContact CE2-CG2 3.7Å
10T79.9Confident72.2Confident35 Ų3555.3 Ų55.322%0.21529%0.29CS..EExtended strand (participates in β ladder)trans-99.9160.7172.662.70000109.7I8 T40 F57 W88 F89I8-T10 HydrophobicContact CG2-CG2 4.5Å; T10-T40 HydrophobicContact CG2-CG2 4.28Å; T10-F57 HydrophobicContact CG2-CD2 4.18Å; T10-F57 HydrophobicContact CG2-CE2 3.96Å; T10-W88 VanDerWaalsContact CG2-NE1 3.31Å; T10-F89 WeakPolarHBondContact CA-O 3.1Å
11G65.9Low72.7Confident15 Ų1553.7 Ų53.716%0.15528%0.282CS..PPolyproline II helixtrans-64.9168.7175.300000112.7F89G11-F89 PolarHBondContact N-O 3.27Å
12D54.3Low73.2Confident84 Ų8444.7 Ų44.745%0.44924%0.237SC..PPolyproline II helixtrans-56.2140.5-179.1-167.91000112A14 H15D12-A14 PolarHBondContact O-N 3.14Å; D12-H15 VanDerWaalsContact O-CB 3.31Å; D12-H15 WeakPolarHBondContact O-CB 3.19Å; D12-H15 PolarHBondContact O-CD2 3.34Å; D12-H15 PolarHBondContact O-N 2.98Å
13L40.6Very low73.2Confident91 Ų9148.4 Ų48.448%0.47625%0.248SC..G310 helixtrans-59.4-18.4-171.6-84.4154000113.9H15 F16 L52L13-H15 PolarHBondContact O-N 3.02Å; L13-H15 VanDerWaalsContact O-N 3.1Å; L13-F16 PolarHBondContact O-N 3.44Å; L13-L52 HydrophobicContact CD1-CB 4.14Å
14A42.5Very low73.3Confident65 Ų6546.6 Ų46.654%0.53724%0.236SC..G310 helixtrans-60.2-14.8170.500000113.5D12 N207D12-A14 PolarHBondContact O-N 3.14Å; A14-N207 PolarHBondContact O-ND2 3.26Å
15H44.8Very low73.3Confident55 Ų5547.1 Ų47.126%0.25524%0.239SC..G310 helixtrans-92.25.9179-71.3-77.5000115D12 L13 S17 W110D12-H15 VanDerWaalsContact O-CB 3.31Å; D12-H15 WeakPolarHBondContact O-CB 3.19Å; D12-H15 PolarHBondContact O-CD2 3.34Å; D12-H15 PolarHBondContact O-N 2.98Å; L13-H15 PolarHBondContact O-N 3.02Å; L13-H15 VanDerWaalsContact O-N 3.1Å; H15-S17 PolarHBondContact O-N 3.36Å; H15-W110 HydrophobicContact CB-CH2 3.91Å; H15-W110 HydrophobicContact CB-CZ2 4.21Å; H15-W110 WeakPolarHBondContact O-CH2 3.4Å
16F46.6Very low73.4Confident152 Ų15243.1 Ų43.167%0.66722%0.222SC*.  trans49.441.7-176.5-67.2-85.5000112.8L13 T18L13-F16 PolarHBondContact O-N 3.44Å; F16-T18 HydrophobicContact CB-CG2 4.34Å; F16-T18 HydrophobicContact CD1-CG2 4.29Å; F16-T18 PolarHBondContact O-N 3.47Å; F16-T18 PolarHBondContact O-OG1 3.05Å
17S49.3Very low73.5Confident13 Ų1343.8 Ų43.89%0.09123%0.226CC..  trans-71.271.2162.868.80000108.1H15H15-S17 PolarHBondContact O-N 3.36Å
18T54.7Low73.6Confident63 Ų6343.4 Ų43.439%0.38723%0.226SC..  trans-80.8121.9-175.141.90000109.7F16 H20F16-T18 HydrophobicContact CB-CG2 4.34Å; F16-T18 HydrophobicContact CD1-CG2 4.29Å; F16-T18 PolarHBondContact O-N 3.47Å; F16-T18 PolarHBondContact O-OG1 3.05Å; T18-H20 PolarHBondContact O-CD2 3.39Å; T18-H20 PolarHBondContact O-CE1 3.5Å; T18-H20 PolarHBondContact O-N 2.76Å; T18-H20 PolarHBondContact O-ND1 2.96Å; T18-H20 PolarHBondContact O-NE2 2.81Å
19F66.8Low73.9Confident92 Ų9246.2 Ų46.240%0.40424%0.243SC..  trans23.588157.7-51.8-54.3000115.8W41F19-W41 HydrophobicContact CD1-CB 4.05Å; F19-W41 AromaticContact CD1-CD1 3.54Å; F19-W41 HydrophobicContact CD1-CG 4.16Å; F19-W41 AromaticContact CE1-CD1 3.68Å; F19-W41 HydrophobicContact CE1-CG 4.39Å; F19-W41 AromaticContact CG-CD1 3.9Å
20H72.3Confident74.2Confident10 Ų1048.3 Ų48.35%0.04626%0.259CS..  trans-107.9130.1175-60.8-71000109.8T18 T39 T40 G86 S87 W88T18-H20 PolarHBondContact O-CD2 3.39Å; T18-H20 PolarHBondContact O-CE1 3.5Å; T18-H20 PolarHBondContact O-N 2.76Å; T18-H20 PolarHBondContact O-ND1 2.96Å; T18-H20 PolarHBondContact O-NE2 2.81Å; H20-T39 WeakPolarHBondContact O-CA 3.38Å; H20-T40 PolarHBondContact N-OG1 3.11Å; H20-T40 PolarHBondContact O-N 3.1Å; H20-T40 VanDerWaalsContact O-N 3.09Å; H20-T40 PolarHBondContact O-OG1 2.85Å; H20-G86 PolarHBondContact CE1-O 2.67Å; H20-G86 VanDerWaalsContact CE1-O 3.26Å; H20-S87 PolarHBondContact NE2-O 2.84Å; H20-W88 HydrophobicContact CB-CD2 4.35Å; H20-W88 HydrophobicContact CB-CG 4.34Å; H20-W88 VanDerWaalsContact CD2-CB 3.41Å; H20-W88 WeakPolarHBondContact CD2-CB 3.4Å; H20-W88 AromaticContact CD2-CD1 3.36Å; H20-W88 AromaticContact CD2-CG 3.35Å; H20-W88 AromaticContact CG-CG 3.9Å; H20-W88 WeakPolarHBondContact NE2-CB 3.43Å; H20-W88 AromaticContact NE2-CG 3.92Å
21D84.3Confident74.9Confident22 Ų2248.1 Ų48.112%0.11826%0.264CS..EExtended strand (participates in β ladder)trans-78.5138.8156-75.8-5.2000107.7K37 L38 T39 E78 H80D21-K37 VanDerWaalsContact OD2-CE 3.22Å; D21-K37 WeakPolarHBondContact OD2-CE 3.34Å; D21-K37 IonicContact OD2-NZ 2.76Å; D21-K37 PolarHBondContact OD2-NZ 3.12Å; D21-L38 WeakPolarHBondContact CA-O 3.49Å; D21-T39 VanDerWaalsContact OD1-CB 3.31Å; D21-T39 WeakPolarHBondContact OD1-CB 3.46Å; D21-T39 PolarHBondContact OD1-OG1 2.88Å; D21-E78 HydrophobicContact CB-CB 4Å; D21-E78 PolarHBondContact O-N 3.27Å; D21-H80 IonicContact OD2-CD2 2.63Å
22F88.8Confident76.3Confident1 Ų153.8 Ų53.80%0.00429%0.286CS..EExtended strand (participates in β ladder)trans-152.8160.3177.963.1-78.5000109.4I8 I24 K37 L38 T40 V75 Q76 W88I8-F22 HydrophobicContact CD1-CE1 4.23Å; I8-F22 HydrophobicContact CD1-CE2 3.41Å; I8-F22 VanDerWaalsContact CD1-CE2 3.41Å; I8-F22 HydrophobicContact CD1-CZ 3.12Å; F22-I24 HydrophobicContact CE2-CB 4.37Å; F22-K37 WeakPolarHBondContact O-CA 3.37Å; F22-L38 HydrophobicContact CD2-CB 4.41Å; F22-L38 HydrophobicContact CE1-CB 3.81Å; F22-L38 HydrophobicContact CE2-CB 3.71Å; F22-L38 HydrophobicContact CE2-CD1 3.89Å; F22-L38 HydrophobicContact CE2-CG 4.31Å; F22-L38 HydrophobicContact CZ-CB 3.31Å; F22-L38 HydrophobicContact CZ-CD1 3.94Å; F22-L38 HydrophobicContact CZ-CG 4.25Å; F22-L38 PolarHBondContact N-O 3.32Å; F22-L38 PolarHBondContact O-N 3.08Å; F22-T40 HydrophobicContact CE1-CG2 3.91Å; F22-V75 HydrophobicContact CD2-CG1 4.37Å; F22-Q76 CarbonylContact C-O 3.29Å; F22-Q76 WeakPolarHBondContact CA-O 3.45Å; F22-Q76 VanDerWaalsContact CB-O 3.26Å; F22-Q76 WeakPolarHBondContact CB-O 3.43Å; F22-W88 HydrophobicContact CB-CH2 4.28Å; F22-W88 HydrophobicContact CB-CZ3 3.89Å; F22-W88 AromaticContact CD1-CH2 3.79Å; F22-W88 HydrophobicContact CD1-CH2 3.79Å; F22-W88 HydrophobicContact CD1-CZ2 4.27Å; F22-W88 HydrophobicContact CD1-CZ3 4.18Å; F22-W88 AromaticContact CD2-CH2 3.77Å; F22-W88 HydrophobicContact CD2-CH2 3.77Å; F22-W88 HydrophobicContact CD2-CZ3 4.13Å; F22-W88 HydrophobicContact CE1-CH2 4.14Å; F22-W88 HydrophobicContact CE1-CZ2 4.36Å; F22-W88 HydrophobicContact CE2-CH2 4.09Å; F22-W88 AromaticContact CG-CH2 3.65Å; F22-W88 HydrophobicContact CG-CH2 3.65Å; F22-W88 AromaticContact CG-CZ3 3.78Å; F22-W88 HydrophobicContact CG-CZ3 3.78Å; F22-W88 HydrophobicContact CZ-CH2 4.29Å
23R93.3Very high78.3Confident106 Ų10650 Ų5040%0.427%0.266SS..EExtended strand (participates in β ladder)trans-103.3141.6168.1-64.9-177.9-176.7151.111.1109.4P35 T36 K37 V75 Q76 E78R23-P35 HydrophobicContact CB-CB 4.46Å; R23-T36 WeakPolarHBondContact CA-O 3.27Å; R23-K37 HydrophobicContact CG-CB 4.49Å; R23-V75 WeakPolarHBondContact O-CA 3.41Å; R23-Q76 HydrophobicContact CB-CB 4.43Å; R23-Q76 PolarHBondContact N-O 2.89Å; R23-Q76 PolarHBondContact O-N 2.81Å; R23-E78 HydrophobicContact CG-CG 4.32Å; R23-E78 WeakPolarHBondContact CG-OE1 3.13Å; R23-E78 IonicContact CZ-OE1 3.59Å; R23-E78 IonicContact NE-OE1 2.68Å; R23-E78 PolarHBondContact NE-OE1 3.15Å; R23-E78 IonicContact NH2-OE1 3.04Å; R23-E78 PolarHBondContact NH2-OE1 3.39Å
24I96.1Very high80.9Confident1 Ų151.7 Ų51.71%0.00528%0.276CS..EExtended strand (participates in β ladder)trans-120.7138.1167.2-163.5170.9000110.1V6 F22 L26 T36 L38 V61 I73 I74 V75 V93V6-I24 HydrophobicContact CG1-CD1 3.9Å; F22-I24 HydrophobicContact CE2-CB 4.37Å; I24-L26 HydrophobicContact CD1-CD2 4.18Å; I24-L26 HydrophobicContact CG1-CD2 4.37Å; I24-T36 PolarHBondContact N-O 3.24Å; I24-T36 PolarHBondContact O-N 2.73Å; I24-L38 HydrophobicContact CB-CD1 4.43Å; I24-L38 HydrophobicContact CG2-CD1 3.44Å; I24-L38 VanDerWaalsContact CG2-CD1 3.44Å; I24-L38 HydrophobicContact CG2-CG 4.15Å; I24-V61 HydrophobicContact CG2-CG2 3.99Å; I24-I73 HydrophobicContact CD1-CB 4.45Å; I24-I73 HydrophobicContact CD1-CG2 4.45Å; I24-I73 HydrophobicContact CG1-CB 4.48Å; I24-I74 CarbonylContact C-O 3.59Å; I24-I74 WeakPolarHBondContact CA-O 3.37Å; I24-V75 HydrophobicContact CG1-CG2 4.41Å; I24-V93 HydrophobicContact CD1-CG1 4.2Å
25T97.6Very high83.4Confident15 Ų1552.5 Ų52.59%0.09228%0.276CS..EExtended strand (participates in β ladder)trans-118.8127.9168.5-580000108V27 E32 S33 I73 I74T25-V27 HydrophobicContact CG2-CG2 4.15Å; T25-E32 HydrophobicContact CG2-CB 4.31Å; T25-S33 WeakPolarHBondContact CG2-O 3.27Å; T25-I73 WeakPolarHBondContact O-CA 3.47Å; T25-I74 HydrophobicContact CG2-CD1 4.41Å; T25-I74 PolarHBondContact N-O 3.36Å; T25-I74 PolarHBondContact O-N 3.27Å
26L98Very high85.8Confident0 Ų051.5 Ų51.50%027%0.274CS..EExtended strand (participates in β ladder)trans-93130.3172.7-55.2-177.7000108.4Y4 V6 I24 E32 S33 V61 L67 L70 I73 V95Y4-L26 HydrophobicContact CD1-CD1 4.16Å; Y4-L26 HydrophobicContact CD2-CD1 4.38Å; Y4-L26 HydrophobicContact CG-CD1 3.81Å; V6-L26 HydrophobicContact CG2-CD1 4.3Å; V6-L26 HydrophobicContact CG2-CD2 4.36Å; I24-L26 HydrophobicContact CD1-CD2 4.18Å; I24-L26 HydrophobicContact CG1-CD2 4.37Å; L26-E32 CarbonylContact O-C 3.39Å; L26-E32 VanDerWaalsContact O-CA 3.29Å; L26-E32 WeakPolarHBondContact O-CA 3.4Å; L26-S33 PolarHBondContact N-OG 3.1Å; L26-S33 PolarHBondContact O-N 2.88Å; L26-V61 HydrophobicContact CD1-CB 4.01Å; L26-V61 HydrophobicContact CD1-CG1 3.95Å; L26-V61 HydrophobicContact CD1-CG2 4.43Å; L26-V61 HydrophobicContact CG-CG1 4.27Å; L26-L67 HydrophobicContact CB-CD1 3.67Å; L26-L67 HydrophobicContact CD1-CD1 4.46Å; L26-L70 HydrophobicContact CB-CD2 4.24Å; L26-I73 HydrophobicContact CD2-CG2 3.78Å; L26-V95 HydrophobicContact CD1-CG1 4.11Å; L26-V95 HydrophobicContact CD2-CG1 4.48Å; L26-V95 HydrophobicContact CD2-CG2 4.02Å
27V97.6Very high87.9Confident13 Ų1349.5 Ų49.58%0.07926%0.264CS..EExtended strand (participates in β ladder)trans-122.2121.6179.2-169.20000109T25 E32 L71 A72 I74 I134T25-V27 HydrophobicContact CG2-CG2 4.15Å; V27-E32 HydrophobicContact CG1-CB 4.42Å; V27-E32 HydrophobicContact CG2-CB 4.25Å; V27-L71 PolarHBondContact O-N 3.12Å; V27-A72 HydrophobicContact CB-CB 4.43Å; V27-A72 PolarHBondContact N-O 2.79Å; V27-A72 PolarHBondContact O-N 2.79Å; V27-A72 VanDerWaalsContact O-N 3.15Å; V27-I74 HydrophobicContact CG2-CD1 4.16Å; V27-I74 HydrophobicContact CG2-CG1 4.28Å; V27-I134 HydrophobicContact CB-CG1 4.21Å; V27-I134 HydrophobicContact CG1-CB 4.2Å; V27-I134 HydrophobicContact CG1-CG1 3.9Å; V27-I134 HydrophobicContact CG1-CG2 4.11Å; V27-I134 HydrophobicContact CG2-CG1 4.45Å
28G96.3Very high89.7Confident8 Ų849.5 Ų49.58%0.08226%0.264CS..EExtended strand (participates in β ladder)trans-128.6-178.5175.500000112.7D30 G31 L67 E69G28-D30 PolarHBondContact O-N 3.41Å; G28-G31 PolarHBondContact N-O 2.99Å; G28-G31 PolarHBondContact O-N 3.38Å; G28-L67 CarbonylContact C-O 3.43Å; G28-L67 VanDerWaalsContact CA-O 3.24Å; G28-L67 WeakPolarHBondContact CA-O 3.48Å; G28-E69 CarbonylContact C-O 3.47Å; G28-E69 WeakPolarHBondContact CA-O 3.43Å
29T95.1Very high91Very high59 Ų5948.7 Ų48.736%0.36226%0.259SS..THydrogen-bonded Turntrans-58.6-32.1-175.856.30000113.6L67 G68 E69 L71T29-L67 PolarHBondContact N-O 3.46Å; T29-G68 WeakPolarHBondContact OG1-CA 3.29Å; T29-E69 HydrophobicContact CG2-CB 3.91Å; T29-E69 PolarHBondContact N-O 3.32Å; T29-E69 PolarHBondContact OG1-N 2.87Å; T29-L71 HydrophobicContact CG2-CD1 4.02Å; T29-L71 HydrophobicContact CG2-CD2 4.26Å; T29-L71 HydrophobicContact CG2-CG 4.25Å
30D94.1Very high91.3Very high114 Ų11444.5 Ų44.561%0.6124%0.241SC*.THydrogen-bonded Turntrans-101.7-3.1-171.6-56.2-10.5000112.4G28 L67 G68G28-D30 PolarHBondContact O-N 3.41Å; D30-L67 PolarHBondContact N-O 2.59Å; D30-G68 WeakPolarHBondContact OD2-CA 3.49Å
31G93.9Very high91Very high31 Ų3150.6 Ų50.632%0.3226%0.263SS..EExtended strand (participates in β ladder)trans153.1-171.1176.900000114.7G28G28-G31 PolarHBondContact N-O 2.99Å; G28-G31 PolarHBondContact O-N 3.38Å
32E95.9Very high89.8Confident134 Ų13452 Ų5263%0.62627%0.27SS*.EExtended strand (participates in β ladder)trans-121.7149.5179.362.6-178.6-162.100111.9T25 L26 V27T25-E32 HydrophobicContact CG2-CB 4.31Å; L26-E32 CarbonylContact O-C 3.39Å; L26-E32 VanDerWaalsContact O-CA 3.29Å; L26-E32 WeakPolarHBondContact O-CA 3.4Å; V27-E32 HydrophobicContact CG1-CB 4.42Å; V27-E32 HydrophobicContact CG2-CB 4.25Å
33S96.7Very high87.9Confident5 Ų553.1 Ų53.14%0.03528%0.278CS..  trans-72.7160.2170.5750000110.8T25 L26 C63T25-S33 WeakPolarHBondContact CG2-O 3.27Å; L26-S33 PolarHBondContact N-OG 3.1Å; L26-S33 PolarHBondContact O-N 2.88Å; S33-C63 VanDerWaalsContact CB-SG 3.56Å
34N94.8Very high85.7Confident127 Ų12752.9 Ų52.968%0.67929%0.292SS*.  trans-64.6146.8162.2-70.6-52.3000110T36N34-T36 PolarHBondContact O-N 3.18Å; N34-T36 PolarHBondContact O-OG1 3.27Å; N34-T36 VanDerWaalsContact O-OG1 3.08Å
35P94.9Very high83.4Confident82 Ų8260.9 Ų60.953%0.53233%0.327SS..  trans-55.8115.4171.8-25.233.6000110.6R23R23-P35 HydrophobicContact CB-CB 4.46Å
36T94Very high81Confident34 Ų3467.3 Ų67.321%0.20935%0.354CS..EExtended strand (participates in β ladder)trans-104.7119.8-175-60.50000109.5R23 I24 N34 L38 V61R23-T36 WeakPolarHBondContact CA-O 3.27Å; I24-T36 PolarHBondContact N-O 3.24Å; I24-T36 PolarHBondContact O-N 2.73Å; N34-T36 PolarHBondContact O-N 3.18Å; N34-T36 PolarHBondContact O-OG1 3.27Å; N34-T36 VanDerWaalsContact O-OG1 3.08Å; T36-L38 HydrophobicContact CG2-CD2 3.87Å; T36-L38 HydrophobicContact CG2-CG 4.35Å; T36-L38 PolarHBondContact O-N 2.92Å; T36-V61 HydrophobicContact CG2-CG2 4.31Å
37K91.3Very high78.4Confident109 Ų10971.9 Ų71.947%0.47438%0.378SS..EExtended strand (participates in β ladder)trans-73.7123.4176.2179.8170.4173.6149.30110.3D21 F22 R23 E78D21-K37 VanDerWaalsContact OD2-CE 3.22Å; D21-K37 WeakPolarHBondContact OD2-CE 3.34Å; D21-K37 IonicContact OD2-NZ 2.76Å; D21-K37 PolarHBondContact OD2-NZ 3.12Å; F22-K37 WeakPolarHBondContact O-CA 3.37Å; R23-K37 HydrophobicContact CG-CB 4.49Å; K37-E78 WeakPolarHBondContact CD-OE2 3.16Å; K37-E78 VanDerWaalsContact CE-OE2 3.25Å; K37-E78 WeakPolarHBondContact CE-OE2 3.39Å; K37-E78 IonicContact NZ-OE2 2.84Å; K37-E78 PolarHBondContact NZ-OE2 3.22Å
38L87.9Confident76.1Confident14 Ų1476.6 Ų76.67%0.07340%0.403CS..EExtended strand (participates in β ladder)trans-126.4165.8179.5-60.1-175.7000109.9I8 D21 F22 I24 T36 H59I8-L38 HydrophobicContact CD1-CD1 4.35Å; D21-L38 WeakPolarHBondContact CA-O 3.49Å; F22-L38 HydrophobicContact CD2-CB 4.41Å; F22-L38 HydrophobicContact CE1-CB 3.81Å; F22-L38 HydrophobicContact CE2-CB 3.71Å; F22-L38 HydrophobicContact CE2-CD1 3.89Å; F22-L38 HydrophobicContact CE2-CG 4.31Å; F22-L38 HydrophobicContact CZ-CB 3.31Å; F22-L38 HydrophobicContact CZ-CD1 3.94Å; F22-L38 HydrophobicContact CZ-CG 4.25Å; F22-L38 PolarHBondContact N-O 3.32Å; F22-L38 PolarHBondContact O-N 3.08Å; I24-L38 HydrophobicContact CB-CD1 4.43Å; I24-L38 HydrophobicContact CG2-CD1 3.44Å; I24-L38 VanDerWaalsContact CG2-CD1 3.44Å; I24-L38 HydrophobicContact CG2-CG 4.15Å; T36-L38 HydrophobicContact CG2-CD2 3.87Å; T36-L38 HydrophobicContact CG2-CG 4.35Å; T36-L38 PolarHBondContact O-N 2.92Å; L38-H59 HydrophobicContact CD1-CB 3.74Å; L38-H59 HydrophobicContact CD2-CB 3.65Å; L38-H59 HydrophobicContact CG-CB 4.29Å
39T81.2Confident73.6Confident46 Ų4683.6 Ų83.628%0.28244%0.435SS..EExtended strand (participates in β ladder)trans-142.2138.1-179.6-168.70000110.4H20 D21 W41 H59H20-T39 WeakPolarHBondContact O-CA 3.38Å; D21-T39 VanDerWaalsContact OD1-CB 3.31Å; D21-T39 WeakPolarHBondContact OD1-CB 3.46Å; D21-T39 PolarHBondContact OD1-OG1 2.88Å; T39-W41 HydrophobicContact CG2-CB 4.05Å; T39-W41 PolarHBondContact O-N 3.45Å; T39-H59 PolarHBondContact O-CE1 3.11Å; T39-H59 PolarHBondContact O-NE2 2.88Å; T39-H59 VanDerWaalsContact O-NE2 3.17Å
40T72.9Confident71Confident4 Ų489.8 Ų89.83%0.02546%0.457CS..  trans-84.226.7172.446.90000112T10 H20 F22 F57 W88T10-T40 HydrophobicContact CG2-CG2 4.28Å; H20-T40 PolarHBondContact N-OG1 3.11Å; H20-T40 PolarHBondContact O-N 3.1Å; H20-T40 VanDerWaalsContact O-N 3.09Å; H20-T40 PolarHBondContact O-OG1 2.85Å; F22-T40 HydrophobicContact CE1-CG2 3.91Å; T40-F57 VanDerWaalsContact C-CE1 3.45Å; T40-F57 HydrophobicContact CG2-CB 4.43Å; T40-F57 HydrophobicContact CG2-CD1 4.45Å; T40-F57 HydrophobicContact CG2-CD2 3.71Å; T40-F57 HydrophobicContact CG2-CE2 4.04Å; T40-F57 HydrophobicContact CG2-CG 3.94Å; T40-F57 WeakPolarHBondContact O-CE1 3.46Å; T40-F57 WeakPolarHBondContact O-CZ 3.37Å; T40-W88 HydrophobicContact CG2-CZ2 4.26Å
41W67.3Low68.6Low137 Ų13787.6 Ų87.652%0.51945%0.451SS..  trans-91.3134.9-177.3-174.779.1000114F19 T39 P43F19-W41 HydrophobicContact CD1-CB 4.05Å; F19-W41 AromaticContact CD1-CD1 3.54Å; F19-W41 HydrophobicContact CD1-CG 4.16Å; F19-W41 AromaticContact CE1-CD1 3.68Å; F19-W41 HydrophobicContact CE1-CG 4.39Å; F19-W41 AromaticContact CG-CD1 3.9Å; T39-W41 HydrophobicContact CG2-CB 4.05Å; T39-W41 PolarHBondContact O-N 3.45Å; W41-P43 HydrophobicContact CE3-CG 4.09Å; W41-P43 HydrophobicContact CH2-CB 3.54Å; W41-P43 HydrophobicContact CH2-CG 3.73Å; W41-P43 HydrophobicContact CZ2-CB 4.17Å; W41-P43 HydrophobicContact CZ3-CB 3.83Å; W41-P43 HydrophobicContact CZ3-CG 3.43Å; W41-P43 VanDerWaalsContact CZ3-CG 3.43Å
42I57.7Low66.3Low51 Ų5188.5 Ų88.526%0.26245%0.448SS..  trans-117.8123.2173.2-65.5163.4000109K46 L52 F57I42-K46 HydrophobicContact CG2-CB 4.11Å; I42-L52 HydrophobicContact CD1-CD2 3.66Å; I42-F57 HydrophobicContact CD1-CD1 4.3Å; I42-F57 HydrophobicContact CD1-CE1 3.6Å; I42-F57 HydrophobicContact CD1-CZ 4.34Å; I42-F57 HydrophobicContact CG1-CD1 4.34Å; I42-F57 HydrophobicContact CG1-CE1 3.83Å
43P48.8Very low64Low25 Ų2587.3 Ų87.316%0.16244%0.441CS..  trans-61.2142.9175.5-11.717.2000113.2W41 F45 K46W41-P43 HydrophobicContact CE3-CG 4.09Å; W41-P43 HydrophobicContact CH2-CB 3.54Å; W41-P43 HydrophobicContact CH2-CG 3.73Å; W41-P43 HydrophobicContact CZ2-CB 4.17Å; W41-P43 HydrophobicContact CZ3-CB 3.83Å; W41-P43 HydrophobicContact CZ3-CG 3.43Å; W41-P43 VanDerWaalsContact CZ3-CG 3.43Å; P43-F45 HydrophobicContact CB-CD1 3.71Å; P43-F45 HydrophobicContact CB-CE1 3.22Å; P43-F45 HydrophobicContact CB-CE2 4.39Å; P43-F45 HydrophobicContact CB-CG 4.47Å; P43-F45 HydrophobicContact CB-CZ 3.62Å; P43-F45 HydrophobicContact CG-CE1 4Å; P43-F45 HydrophobicContact CG-CZ 3.91Å; P43-F45 PolarHBondContact O-N 3.24Å; P43-K46 PolarHBondContact O-N 3.02Å
44S47.9Very low61.8Low102 Ų10295.6 Ų95.671%0.71348%0.477SS*.G310 helixtrans-53-29.9-175.847.50000115.5K46 L47S44-K46 VanDerWaalsContact C-N 3.31Å; S44-K46 PolarHBondContact O-N 2.88Å; S44-L47 PolarHBondContact O-N 3.43Å
45F47.9Very low60.4Low168 Ų16896.4 Ų96.474%0.73748%0.477SS*.G310 helixtrans-80.3-4.9-179.661.4-94.8000114.6P43P43-F45 HydrophobicContact CB-CD1 3.71Å; P43-F45 HydrophobicContact CB-CE1 3.22Å; P43-F45 HydrophobicContact CB-CE2 4.39Å; P43-F45 HydrophobicContact CB-CG 4.47Å; P43-F45 HydrophobicContact CB-CZ 3.62Å; P43-F45 HydrophobicContact CG-CE1 4Å; P43-F45 HydrophobicContact CG-CZ 3.91Å; P43-F45 PolarHBondContact O-N 3.24Å
46K46.3Very low59.7Low150 Ų15093.6 Ų93.665%0.65246%0.459SS*.G310 helixtrans-102.51.7172.3-73.6-171.5176.7-176.90113.1I42 P43 S44 N48I42-K46 HydrophobicContact CG2-CB 4.11Å; P43-K46 PolarHBondContact O-N 3.02Å; S44-K46 VanDerWaalsContact C-N 3.31Å; S44-K46 PolarHBondContact O-N 2.88Å; K46-N48 PolarHBondContact O-N 3.41Å
47L44.9Very low59.2Low96 Ų9693.6 Ų93.650%0.50346%0.456SS..  trans-77.5109.4178.7-89.8107.1000111.2S44 L52S44-L47 PolarHBondContact O-N 3.43Å; L47-L52 HydrophobicContact CD2-CD1 3.55Å; L47-L52 HydrophobicContact CG-CD1 3.91Å
48N47.7Very low59.1Low113 Ų11392.1 Ų92.160%0.60446%0.456SS*.  trans-101.3118.1151.8-155.3-2.3000107.2K46 F50 S51K46-N48 PolarHBondContact O-N 3.41Å; N48-F50 PolarHBondContact O-N 2.96Å; N48-S51 PolarHBondContact O-N 3.14Å; N48-S51 VanDerWaalsContact O-N 3.09Å; N48-S51 PolarHBondContact O-OG 2.93Å
49M44.3Very low59.3Low154 Ų15493.3 Ų93.376%0.75946%0.461SS*.THydrogen-bonded Turntrans-61.3-17.8-163.9-151.1-176.1-52.600114.1
50F41.7Very low59.9Low189 Ų18998 Ų9883%0.82948%0.477SS*.THydrogen-bonded Turntrans-93.4-12.2-179.6-80.4-88.2000115N48N48-F50 PolarHBondContact O-N 2.96Å
51S43.2Very low61Low68 Ų6897.8 Ų97.848%0.47648%0.476SS..SBendtrans-101.11.2-171.568.30000115.6N48 Q55N48-S51 PolarHBondContact O-N 3.14Å; N48-S51 VanDerWaalsContact O-N 3.09Å; N48-S51 PolarHBondContact O-OG 2.93Å; S51-Q55 WeakPolarHBondContact O-CG 3.44Å
52L45.4Very low62.3Low50 Ų5095.1 Ų95.126%0.26247%0.47SS..  trans-88-9.5-172-95.7150.8000115L13 I42 L47 F54L13-L52 HydrophobicContact CD1-CB 4.14Å; I42-L52 HydrophobicContact CD1-CD2 3.66Å; L47-L52 HydrophobicContact CD2-CD1 3.55Å; L47-L52 HydrophobicContact CG-CD1 3.91Å; L52-F54 VanDerWaalsContact C-N 3.28Å; L52-F54 PolarHBondContact O-N 3.2Å
53F47.2Very low64Low109 Ų10993 Ų9348%0.47846%0.459SS..SBendtrans-73-13.3-167.5-73.3-78.4000115.1
54F50.3Low66Low179 Ų17997.6 Ų97.679%0.78549%0.487SS*.SBendtrans-152.810.7-174.2-66.1-77.2000115.6L52L52-F54 VanDerWaalsContact C-N 3.28Å; L52-F54 PolarHBondContact O-N 3.2Å
55Q65.8Low68Low144 Ų14496.7 Ų96.767%0.67348%0.477SS*.  trans-89.1130.6-176.1-70.2-66.8-3600111.3S51S51-Q55 WeakPolarHBondContact O-CG 3.44Å
56P80.4Confident70.2Confident24 Ų2492.3 Ų92.316%0.15647%0.465CS..  trans-72149.8177.329.6-34.3000112.1N7 I8 Y9 T58N7-P56 HydrophobicContact CB-CB 3.9Å; N7-P56 HydrophobicContact CB-CG 4.19Å; I8-P56 CarbonylContact O-C 3.56Å; I8-P56 VanDerWaalsContact O-CA 3.29Å; I8-P56 WeakPolarHBondContact O-CA 3.3Å; Y9-P56 HydrophobicContact CD1-CB 3.94Å; Y9-P56 HydrophobicContact CD2-CB 4.03Å; Y9-P56 HydrophobicContact CE1-CB 3.66Å; Y9-P56 HydrophobicContact CE1-CG 3.83Å; Y9-P56 HydrophobicContact CE2-CB 3.75Å; Y9-P56 HydrophobicContact CE2-CG 4.28Å; Y9-P56 HydrophobicContact CG-CB 4.12Å; P56-T58 PolarHBondContact O-N 3.36Å
57F84.4Confident72.6Confident34 Ų3485.3 Ų85.315%0.14944%0.435CS..EExtended strand (participates in β ladder)trans-74112.1165.4-60.7-84.2000108.9N7 I8 T10 T40 I42N7-F57 WeakPolarHBondContact CA-O 3.45Å; I8-F57 HydrophobicContact CB-CB 4.43Å; I8-F57 PolarHBondContact N-O 3.09Å; I8-F57 PolarHBondContact O-N 2.87Å; T10-F57 HydrophobicContact CG2-CD2 4.18Å; T10-F57 HydrophobicContact CG2-CE2 3.96Å; T40-F57 VanDerWaalsContact C-CE1 3.45Å; T40-F57 HydrophobicContact CG2-CB 4.43Å; T40-F57 HydrophobicContact CG2-CD1 4.45Å; T40-F57 HydrophobicContact CG2-CD2 3.71Å; T40-F57 HydrophobicContact CG2-CE2 4.04Å; T40-F57 HydrophobicContact CG2-CG 3.94Å; T40-F57 WeakPolarHBondContact O-CE1 3.46Å; T40-F57 WeakPolarHBondContact O-CZ 3.37Å; I42-F57 HydrophobicContact CD1-CD1 4.3Å; I42-F57 HydrophobicContact CD1-CE1 3.6Å; I42-F57 HydrophobicContact CD1-CZ 4.34Å; I42-F57 HydrophobicContact CG1-CD1 4.34Å; I42-F57 HydrophobicContact CG1-CE1 3.83Å
58T89.1Confident74.9Confident78 Ų7881.9 Ų81.948%0.47942%0.423SS..EExtended strand (participates in β ladder)trans-98.7126.3-176.3-54.90000110.8K5 V6 N7 P56K5-T58 HydrophobicContact CD-CG2 4.26Å; K5-T58 HydrophobicContact CG-CG2 3.81Å; V6-T58 CarbonylContact O-C 3.09Å; V6-T58 WeakPolarHBondContact O-CA 3.26Å; N7-T58 WeakPolarHBondContact OD1-CG2 3.08Å; N7-T58 PolarHBondContact OD1-OG1 2.91Å; P56-T58 PolarHBondContact O-N 3.36Å
59H91.6Very high77.2Confident38 Ų3881.8 Ų81.818%0.17642%0.419CS..EExtended strand (participates in β ladder)trans-131.5166179.9-61.3-76.7000111.5K5 V6 L38 T39K5-H59 WeakPolarHBondContact CA-O 3.28Å; V6-H59 PolarHBondContact N-O 3.34Å; V6-H59 PolarHBondContact O-N 3.23Å; L38-H59 HydrophobicContact CD1-CB 3.74Å; L38-H59 HydrophobicContact CD2-CB 3.65Å; L38-H59 HydrophobicContact CG-CB 4.29Å; T39-H59 PolarHBondContact O-CE1 3.11Å; T39-H59 PolarHBondContact O-NE2 2.88Å; T39-H59 VanDerWaalsContact O-NE2 3.17Å
60K93.6Very high79.7Confident144 Ų14474.5 Ų74.563%0.62638%0.383SS*.EExtended strand (participates in β ladder)trans-114.9134170.8-69-175.4173.9-167.40109.7Y4Y4-K60 CarbonylContact O-C 3.51Å; Y4-K60 WeakPolarHBondContact O-CA 3.43Å
61V95.3Very high82.3Confident0 Ų066.2 Ų66.20%035%0.347CS..EExtended strand (participates in β ladder)trans-111.9113.1170.5175.80000107.3Y4 V6 I24 L26 T36Y4-V61 PolarHBondContact N-O 3.17Å; Y4-V61 PolarHBondContact O-N 3.04Å; V6-V61 HydrophobicContact CG2-CB 4.3Å; V6-V61 HydrophobicContact CG2-CG2 3.62Å; I24-V61 HydrophobicContact CG2-CG2 3.99Å; L26-V61 HydrophobicContact CD1-CB 4.01Å; L26-V61 HydrophobicContact CD1-CG1 3.95Å; L26-V61 HydrophobicContact CD1-CG2 4.43Å; L26-V61 HydrophobicContact CG-CG1 4.27Å; T36-V61 HydrophobicContact CG2-CG2 4.31Å
62E94.7Very high84.8Confident82 Ų8263 Ų6338%0.38333%0.325SS..EExtended strand (participates in β ladder)trans-92.2124.2-177.5-64.1-63.9156.800110.4M1 S3M1-E62 HydrophobicContact SD-CB 4.31Å; S3-E62 VanDerWaalsContact CB-OE1 3.28Å; S3-E62 WeakPolarHBondContact CB-OE1 3.34Å; S3-E62 WeakPolarHBondContact CB-OE2 3.46Å; S3-E62 PolarHBondContact OG-OE1 2.75Å
63C93Very high87.3Confident7 Ų760.6 Ų60.65%0.04731%0.312CS..EExtended strand (participates in β ladder)trans-114.7150.5179.3-59.50000110.8M1 V2 Y4 S33 T65 L67M1-C63 CarbonylContact C-O 3.59Å; M1-C63 VanDerWaalsContact CA-O 3.27Å; M1-C63 WeakPolarHBondContact CA-O 3.35Å; V2-C63 PolarHBondContact N-O 3.22Å; V2-C63 PolarHBondContact O-N 2.84Å; Y4-C63 HydrophobicContact CE2-CB 4.36Å; S33-C63 VanDerWaalsContact CB-SG 3.56Å; C63-T65 VanDerWaalsContact CB-O 3.28Å; C63-T65 WeakPolarHBondContact CB-O 3.32Å; C63-L67 HydrophobicContact CB-CD2 4.49Å
64T90.7Very high89.7Confident121 Ų12156.4 Ų56.474%0.74230%0.295SS*.SBendtrans-71.7-38.3175.4420000111.5
65T91.6Very high91.8Very high82 Ų8248 Ų4850%0.50326%0.258SS..SBendtrans-127.4158.3177.850.50000110.5C63C63-T65 VanDerWaalsContact CB-O 3.28Å; C63-T65 WeakPolarHBondContact CB-O 3.32Å
66P93.4Very high93.1Very high76 Ų7643.5 Ų43.549%0.49424%0.237SC..  trans-57.5147.2165.2-19.332.5000110.8V2V2-P66 HydrophobicContact CG1-CG 4.45Å; V2-P66 HydrophobicContact CG2-CG 4.11Å
67L95.6Very high93.5Very high3 Ų342.5 Ų42.52%0.01623%0.23CC..  trans-96.22.1-178.1-55.9178.5000113.5Y4 L26 G28 T29 D30 C63 L70Y4-L67 HydrophobicContact CE2-CD1 4.06Å; Y4-L67 HydrophobicContact CE2-CG 3.98Å; Y4-L67 PolarHBondContact OH-N 3.13Å; L26-L67 HydrophobicContact CB-CD1 3.67Å; L26-L67 HydrophobicContact CD1-CD1 4.46Å; G28-L67 CarbonylContact C-O 3.43Å; G28-L67 VanDerWaalsContact CA-O 3.24Å; G28-L67 WeakPolarHBondContact CA-O 3.48Å; T29-L67 PolarHBondContact N-O 3.46Å; D30-L67 PolarHBondContact N-O 2.59Å; C63-L67 HydrophobicContact CB-CD2 4.49Å; L67-L70 HydrophobicContact CB-CD2 4.05Å; L67-L70 HydrophobicContact CD1-CD2 4.05Å
68G94.4Very high93.5Very high24 Ų2442.1 Ų42.125%0.24723%0.229CC..  trans71.2-147.7-172.700000112.7T29 D30T29-G68 WeakPolarHBondContact OG1-CA 3.29Å; D30-G68 WeakPolarHBondContact OD2-CA 3.49Å
69E94.9Very high92.7Very high111 Ų11144.2 Ų44.252%0.51923%0.233SC..SBendtrans-71.9127174.3-173.9-176.316700109.3G28 T29 Y103G28-E69 CarbonylContact C-O 3.47Å; G28-E69 WeakPolarHBondContact CA-O 3.43Å; T29-E69 HydrophobicContact CG2-CB 3.91Å; T29-E69 PolarHBondContact N-O 3.32Å; T29-E69 PolarHBondContact OG1-N 2.87Å; E69-Y103 HydrophobicContact CG-CE1 3.89Å
70L96.9Very high91.4Very high1 Ų145 Ų451%0.00524%0.236CC..EExtended strand (participates in β ladder)trans-77.2128.2179.2-66.7-178000110.7Y4 L26 L67 V95 Y103 F105Y4-L70 HydrophobicContact CD1-CD1 4.07Å; Y4-L70 HydrophobicContact CE1-CD1 4.1Å; Y4-L70 HydrophobicContact CE1-CD2 4.29Å; Y4-L70 HydrophobicContact CE1-CG 4.32Å; L26-L70 HydrophobicContact CB-CD2 4.24Å; L67-L70 HydrophobicContact CB-CD2 4.05Å; L67-L70 HydrophobicContact CD1-CD2 4.05Å; L70-V95 HydrophobicContact CD1-CB 3.9Å; L70-V95 HydrophobicContact CD1-CG1 3.48Å; L70-V95 VanDerWaalsContact CD1-CG1 3.48Å; L70-Y103 HydrophobicContact CB-CD1 3.77Å; L70-Y103 HydrophobicContact CB-CD2 4.02Å; L70-Y103 HydrophobicContact CB-CE1 3.96Å; L70-Y103 HydrophobicContact CB-CE2 4.2Å; L70-Y103 HydrophobicContact CB-CG 3.79Å; L70-Y103 HydrophobicContact CD1-CD2 3.76Å; L70-Y103 HydrophobicContact CD1-CE2 4.21Å; L70-Y103 HydrophobicContact CD1-CG 4.15Å; L70-Y103 HydrophobicContact CG-CD2 4.07Å; L70-Y103 HydrophobicContact CG-CE2 4.11Å; L70-Y103 HydrophobicContact CG-CG 4.35Å; L70-F105 HydrophobicContact CB-CZ 4.44Å
71L96Very high89.8Confident15 Ų1546.7 Ų46.78%0.07925%0.252CS..EExtended strand (participates in β ladder)trans-109.1-37.6-174.6-58.8174.3000112V27 T29 Q120 E121 E132 I134 T135V27-L71 PolarHBondContact O-N 3.12Å; T29-L71 HydrophobicContact CG2-CD1 4.02Å; T29-L71 HydrophobicContact CG2-CD2 4.26Å; T29-L71 HydrophobicContact CG2-CG 4.25Å; L71-Q120 WeakPolarHBondContact O-CG 3.25Å; L71-E121 PolarHBondContact O-N 2.87Å; L71-E132 HydrophobicContact CD1-CB 3.96Å; L71-E132 HydrophobicContact CD1-CG 3.69Å; L71-I134 HydrophobicContact CB-CG2 4.19Å; L71-I134 HydrophobicContact CD1-CG2 4.08Å; L71-T135 HydrophobicContact CB-CG2 3.98Å
72A97.6Very high87.9Confident0 Ų052.1 Ų52.10%029%0.285CS..EExtended strand (participates in β ladder)trans-150.9162.3-174.200000112.5V27 F119 I134V27-A72 HydrophobicContact CB-CB 4.43Å; V27-A72 PolarHBondContact N-O 2.79Å; V27-A72 PolarHBondContact O-N 2.79Å; V27-A72 VanDerWaalsContact O-N 3.15Å; A72-F119 CarbonylContact C-O 3.55Å; A72-F119 WeakPolarHBondContact CA-O 3.32Å; A72-F119 WeakPolarHBondContact CB-O 3.3Å; A72-I134 HydrophobicContact CB-CG1 3.65Å
73I97.8Very high86.2Confident0 Ų053.4 Ų53.40%029%0.289CS..EExtended strand (participates in β ladder)trans-124.7145165.261.9176000109.9I24 T25 L26 V75 V93 F105 I107 F119I24-I73 HydrophobicContact CD1-CB 4.45Å; I24-I73 HydrophobicContact CD1-CG2 4.45Å; I24-I73 HydrophobicContact CG1-CB 4.48Å; T25-I73 WeakPolarHBondContact O-CA 3.47Å; L26-I73 HydrophobicContact CD2-CG2 3.78Å; I73-V75 HydrophobicContact CD1-CG2 4.03Å; I73-V75 HydrophobicContact CG1-CG2 4.28Å; I73-V93 HydrophobicContact CD1-CB 3.7Å; I73-V93 HydrophobicContact CD1-CG1 4.05Å; I73-V93 HydrophobicContact CD1-CG2 3.77Å; I73-F105 HydrophobicContact CB-CD1 4.45Å; I73-F105 HydrophobicContact CD1-CB 3.73Å; I73-F105 HydrophobicContact CD1-CD1 4.09Å; I73-F105 HydrophobicContact CD1-CD2 4.25Å; I73-F105 HydrophobicContact CD1-CG 3.76Å; I73-F105 HydrophobicContact CG1-CB 4.34Å; I73-F105 HydrophobicContact CG1-CD1 3.81Å; I73-F105 HydrophobicContact CG1-CE1 4.35Å; I73-F105 HydrophobicContact CG1-CG 4.02Å; I73-F105 HydrophobicContact CG2-CD1 4.06Å; I73-F105 HydrophobicContact CG2-CD2 4.09Å; I73-F105 HydrophobicContact CG2-CE1 3.86Å; I73-F105 HydrophobicContact CG2-CE2 3.87Å; I73-F105 HydrophobicContact CG2-CG 4.21Å; I73-F105 HydrophobicContact CG2-CZ 3.76Å; I73-I107 HydrophobicContact CD1-CD1 4.32Å; I73-F119 HydrophobicContact CD1-CB 4.38Å; I73-F119 HydrophobicContact CG1-CB 3.83Å; I73-F119 HydrophobicContact CG1-CD2 4.3Å; I73-F119 PolarHBondContact N-O 3.22Å; I73-F119 PolarHBondContact O-N 2.96Å
74I97.5Very high84.5Confident22 Ų2258.9 Ų58.911%0.11332%0.324CS..EExtended strand (participates in β ladder)trans-111123.8170.2-48.1173.2000107.2I24 T25 V27 D116 H117 Y118I24-I74 CarbonylContact C-O 3.59Å; I24-I74 WeakPolarHBondContact CA-O 3.37Å; T25-I74 HydrophobicContact CG2-CD1 4.41Å; T25-I74 PolarHBondContact N-O 3.36Å; T25-I74 PolarHBondContact O-N 3.27Å; V27-I74 HydrophobicContact CG2-CD1 4.16Å; V27-I74 HydrophobicContact CG2-CG1 4.28Å; I74-D116 HydrophobicContact CG2-CB 3.79Å; I74-H117 CarbonylContact C-O 3.44Å; I74-H117 WeakPolarHBondContact CA-O 3.48Å; I74-Y118 HydrophobicContact CD1-CD1 4.16Å; I74-Y118 HydrophobicContact CD1-CE1 3.72Å; I74-Y118 HydrophobicContact CG1-CD1 3.87Å; I74-Y118 HydrophobicContact CG1-CE1 3.92Å; I74-Y118 HydrophobicContact CG2-CD1 4.45Å; I74-Y118 HydrophobicContact CG2-CE1 4.22Å
75V94.8Very high83.3Confident2 Ų257 Ų571%0.01231%0.31CS..EExtended strand (participates in β ladder)trans-117.8124.5-178.5-178.50000108.7F22 R23 I24 I73 W88 I111 H117 F119F22-V75 HydrophobicContact CD2-CG1 4.37Å; R23-V75 WeakPolarHBondContact O-CA 3.41Å; I24-V75 HydrophobicContact CG1-CG2 4.41Å; I73-V75 HydrophobicContact CD1-CG2 4.03Å; I73-V75 HydrophobicContact CG1-CG2 4.28Å; V75-W88 HydrophobicContact CG1-CH2 4.01Å; V75-W88 HydrophobicContact CG1-CZ3 3.54Å; V75-I111 HydrophobicContact CB-CD1 4.46Å; V75-I111 HydrophobicContact CG1-CD1 3.92Å; V75-H117 PolarHBondContact N-O 2.7Å; V75-H117 WeakPolarHBondContact O-CB 3.16Å; V75-H117 PolarHBondContact O-N 3.01Å; V75-F119 HydrophobicContact CB-CD2 4.47Å; V75-F119 HydrophobicContact CB-CE2 4.17Å; V75-F119 HydrophobicContact CG2-CD2 4.1Å; V75-F119 HydrophobicContact CG2-CE2 4.21Å
76Q92.8Very high82.3Confident49 Ų4954.3 Ų54.323%0.22930%0.298CS..EExtended strand (participates in β ladder)trans-125.3116.1177.4-179.3-176.277.300109.2F22 R23 D116F22-Q76 CarbonylContact C-O 3.29Å; F22-Q76 WeakPolarHBondContact CA-O 3.45Å; F22-Q76 VanDerWaalsContact CB-O 3.26Å; F22-Q76 WeakPolarHBondContact CB-O 3.43Å; R23-Q76 HydrophobicContact CB-CB 4.43Å; R23-Q76 PolarHBondContact N-O 2.89Å; R23-Q76 PolarHBondContact O-N 2.81Å; Q76-D116 PolarHBondContact NE2-OD1 2.62Å
77K88.9Confident81.8Confident3 Ų352.4 Ų52.41%0.01329%0.287CS..EExtended strand (participates in β ladder)trans-68.1137.2172.7-166.9177.272-175.90109.7G86 W88 I111 T112 D113 C114K77-G86 PolarHBondContact NZ-O 2.8Å; K77-W88 HydrophobicContact CD-CB 4.25Å; K77-I111 HydrophobicContact CB-CG2 4.08Å; K77-I111 PolarHBondContact NZ-O 3.03Å; K77-T112 VanDerWaalsContact NZ-C 3.34Å; K77-T112 PolarHBondContact NZ-O 3.47Å; K77-D113 WeakPolarHBondContact CB-O 3.49Å; K77-D113 WeakPolarHBondContact CE-O 3.49Å; K77-C114 WeakPolarHBondContact O-CA 3.46Å; K77-C114 VanDerWaalsContact O-CB 3.22Å; K77-C114 WeakPolarHBondContact O-CB 3.32Å; K77-C114 PolarHBondContact O-SG 3.05Å; K77-C114 VanDerWaalsContact O-SG 3.37Å
78E83.3Confident81.2Confident27 Ų2752.4 Ų52.413%0.12629%0.287CS..PPolyproline II helixtrans-100.4151.6173.4-70.2-163.7170.200111.9D21 R23 K37 H80D21-E78 HydrophobicContact CB-CB 4Å; D21-E78 PolarHBondContact O-N 3.27Å; R23-E78 HydrophobicContact CG-CG 4.32Å; R23-E78 WeakPolarHBondContact CG-OE1 3.13Å; R23-E78 IonicContact CZ-OE1 3.59Å; R23-E78 IonicContact NE-OE1 2.68Å; R23-E78 PolarHBondContact NE-OE1 3.15Å; R23-E78 IonicContact NH2-OE1 3.04Å; R23-E78 PolarHBondContact NH2-OE1 3.39Å; K37-E78 WeakPolarHBondContact CD-OE2 3.16Å; K37-E78 VanDerWaalsContact CE-OE2 3.25Å; K37-E78 WeakPolarHBondContact CE-OE2 3.39Å; K37-E78 IonicContact NZ-OE2 2.84Å; K37-E78 PolarHBondContact NZ-OE2 3.22Å; E78-H80 PolarHBondContact O-N 2.84Å
79H72.3Confident80.8Confident121 Ų12152.8 Ų52.856%0.5628%0.281SS*.PPolyproline II helixtrans-71121.1169.6-71.4-42.6000110.9N85 C114H79-N85 WeakPolarHBondContact CA-OD1 3.37Å; H79-N85 PolarHBondContact CE1-ND2 3.3Å; H79-N85 PolarHBondContact ND1-ND2 2.82Å; H79-N85 PolarHBondContact ND1-OD1 3.16Å; H79-C114 PolarHBondContact CE1-SG 3.5Å; H79-C114 PolarHBondContact ND1-SG 3Å; H79-C114 VanDerWaalsContact ND1-SG 3.39Å
80H64.6Low80.4Confident54 Ų5447.5 Ų47.525%0.2526%0.257CS..PPolyproline II helixtrans-80.1130.5172-162-89.1000109.7D21 E78 V82 F83D21-H80 IonicContact OD2-CD2 2.63Å; E78-H80 PolarHBondContact O-N 2.84Å; H80-V82 PolarHBondContact ND1-N 2.89Å; H80-V82 VanDerWaalsContact ND1-N 3.18Å; H80-V82 PolarHBondContact O-N 3.4Å; H80-F83 HydrophobicContact CB-CB 4.42Å; H80-F83 AromaticContact CE1-CD2 3.34Å; H80-F83 WeakPolarHBondContact CE1-CD2 3.33Å; H80-F83 AromaticContact CE1-CE2 3.71Å; H80-F83 AromaticContact ND1-CD2 3.27Å; H80-F83 VanDerWaalsContact ND1-CD2 3.27Å; H80-F83 WeakPolarHBondContact ND1-CD2 3.29Å; H80-F83 AromaticContact ND1-CG 3.92Å; H80-F83 PolarHBondContact ND1-N 2.74Å
81L59.1Low80.1Confident181 Ų18148.1 Ų48.195%0.94826%0.262SS*.SBendtrans-66.7-24.2-177.2-83148.8000113.6
82V57.3Low79.9Confident114 Ų11449.3 Ų49.369%0.69127%0.267SS*.SBendtrans-112-22-170.1-173.60000113.5H80H80-V82 PolarHBondContact ND1-N 2.89Å; H80-V82 VanDerWaalsContact ND1-N 3.18Å; H80-V82 PolarHBondContact O-N 3.4Å
83F58.7Low79.8Confident109 Ų10949.5 Ų49.548%0.47827%0.267SS..SBendtrans-117.9144.6-175.3-64.7-63.6000109.8H80H80-F83 HydrophobicContact CB-CB 4.42Å; H80-F83 AromaticContact CE1-CD2 3.34Å; H80-F83 WeakPolarHBondContact CE1-CD2 3.33Å; H80-F83 AromaticContact CE1-CE2 3.71Å; H80-F83 AromaticContact ND1-CD2 3.27Å; H80-F83 VanDerWaalsContact ND1-CD2 3.27Å; H80-F83 WeakPolarHBondContact ND1-CD2 3.29Å; H80-F83 AromaticContact ND1-CG 3.92Å; H80-F83 PolarHBondContact ND1-N 2.74Å
84P57.5Low79.8Confident121 Ų12150.2 Ų50.279%0.78627%0.272SS*.  trans-58.6143.1174.523.4-30.9000110.3G86P84-G86 VanDerWaalsContact C-N 3.33Å; P84-G86 PolarHBondContact O-N 2.98Å
85N64.3Low79.8Confident83 Ų8349.2 Ų49.244%0.44427%0.267SS..  trans-67.289.2179.2-67.2-53.5000111H79H79-N85 WeakPolarHBondContact CA-OD1 3.37Å; H79-N85 PolarHBondContact CE1-ND2 3.3Å; H79-N85 PolarHBondContact ND1-ND2 2.82Å; H79-N85 PolarHBondContact ND1-OD1 3.16Å
86G71.8Confident79.9Confident24 Ų2452.5 Ų52.525%0.24728%0.282CS..  trans-75.5161.7174.400000112.6H20 K77 P84H20-G86 PolarHBondContact CE1-O 2.67Å; H20-G86 VanDerWaalsContact CE1-O 3.26Å; K77-G86 PolarHBondContact NZ-O 2.8Å; P84-G86 VanDerWaalsContact C-N 3.33Å; P84-G86 PolarHBondContact O-N 2.98Å
87S81.1Confident80Confident37 Ų3750.6 Ų50.626%0.25927%0.274SS..  trans-74.2141.6169.4-57.60000110.4H20 L201H20-S87 PolarHBondContact NE2-O 2.84Å; S87-L201 VanDerWaalsContact CB-CD1 3.44Å; S87-L201 WeakPolarHBondContact OG-CD1 3.19Å
88W83.9Confident80.2Confident3 Ų352.9 Ų52.91%0.01129%0.289CS..EExtended strand (participates in β ladder)trans-115.9113.3-176.7179.429.3000110.8I8 T10 H20 F22 T40 V75 K77 V90 I111I8-W88 HydrophobicContact CG2-CZ2 3.97Å; T10-W88 VanDerWaalsContact CG2-NE1 3.31Å; H20-W88 HydrophobicContact CB-CD2 4.35Å; H20-W88 HydrophobicContact CB-CG 4.34Å; H20-W88 VanDerWaalsContact CD2-CB 3.41Å; H20-W88 WeakPolarHBondContact CD2-CB 3.4Å; H20-W88 AromaticContact CD2-CD1 3.36Å; H20-W88 AromaticContact CD2-CG 3.35Å; H20-W88 AromaticContact CG-CG 3.9Å; H20-W88 WeakPolarHBondContact NE2-CB 3.43Å; H20-W88 AromaticContact NE2-CG 3.92Å; F22-W88 HydrophobicContact CB-CH2 4.28Å; F22-W88 HydrophobicContact CB-CZ3 3.89Å; F22-W88 AromaticContact CD1-CH2 3.79Å; F22-W88 HydrophobicContact CD1-CH2 3.79Å; F22-W88 HydrophobicContact CD1-CZ2 4.27Å; F22-W88 HydrophobicContact CD1-CZ3 4.18Å; F22-W88 AromaticContact CD2-CH2 3.77Å; F22-W88 HydrophobicContact CD2-CH2 3.77Å; F22-W88 HydrophobicContact CD2-CZ3 4.13Å; F22-W88 HydrophobicContact CE1-CH2 4.14Å; F22-W88 HydrophobicContact CE1-CZ2 4.36Å; F22-W88 HydrophobicContact CE2-CH2 4.09Å; F22-W88 AromaticContact CG-CH2 3.65Å; F22-W88 HydrophobicContact CG-CH2 3.65Å; F22-W88 AromaticContact CG-CZ3 3.78Å; F22-W88 HydrophobicContact CG-CZ3 3.78Å; F22-W88 HydrophobicContact CZ-CH2 4.29Å; T40-W88 HydrophobicContact CG2-CZ2 4.26Å; V75-W88 HydrophobicContact CG1-CH2 4.01Å; V75-W88 HydrophobicContact CG1-CZ3 3.54Å; K77-W88 HydrophobicContact CD-CB 4.25Å; W88-V90 HydrophobicContact CD2-CG2 3.5Å; W88-V90 VanDerWaalsContact CE2-CG2 3.47Å; W88-V90 HydrophobicContact CE3-CG2 3.71Å; W88-V90 HydrophobicContact CG-CG2 4.09Å; W88-V90 HydrophobicContact CH2-CG2 3.85Å; W88-V90 HydrophobicContact CZ2-CG1 4.49Å; W88-V90 HydrophobicContact CZ2-CG2 3.65Å; W88-V90 HydrophobicContact CZ3-CG2 3.89Å; W88-I111 HydrophobicContact CE3-CB 4.38Å; W88-I111 HydrophobicContact CE3-CD1 4.08Å; W88-I111 HydrophobicContact CZ3-CD1 4.17Å; W88-I111 PolarHBondContact N-O 3.31Å; W88-I111 PolarHBondContact O-N 2.96Å
89F85.4Confident80.6Confident31 Ų3159.3 Ų59.314%0.13632%0.321CS..EExtended strand (participates in β ladder)trans-83.9119172.8-171.6-96.7000110.9T10 G11 A91 W110T10-F89 WeakPolarHBondContact CA-O 3.1Å; G11-F89 PolarHBondContact N-O 3.27Å; F89-A91 HydrophobicContact CE1-CB 4.21Å; F89-W110 HydrophobicContact CB-CD2 3.83Å; F89-W110 HydrophobicContact CB-CE3 3.76Å; F89-W110 HydrophobicContact CB-CH2 4.02Å; F89-W110 HydrophobicContact CB-CZ2 4.03Å; F89-W110 HydrophobicContact CB-CZ3 3.87Å; F89-W110 AromaticContact CD2-CD1 3.65Å; F89-W110 AromaticContact CD2-CD2 3.89Å; F89-W110 HydrophobicContact CD2-CD2 3.89Å; F89-W110 AromaticContact CD2-CE2 3.72Å; F89-W110 AromaticContact CD2-CG 3.88Å; F89-W110 HydrophobicContact CD2-CG 3.88Å; F89-W110 HydrophobicContact CD2-CZ2 4.39Å; F89-W110 AromaticContact CD2-NE1 3.53Å; F89-W110 HydrophobicContact CG-CD2 4.35Å
90V88.1Confident81.6Confident0 Ų055.5 Ų55.50%032%0.315CS..EExtended strand (participates in β ladder)trans-106.7115.4176.9-166.70000108.4W88 V93 I107 Y108 R109 I111W88-V90 HydrophobicContact CD2-CG2 3.5Å; W88-V90 VanDerWaalsContact CE2-CG2 3.47Å; W88-V90 HydrophobicContact CE3-CG2 3.71Å; W88-V90 HydrophobicContact CG-CG2 4.09Å; W88-V90 HydrophobicContact CH2-CG2 3.85Å; W88-V90 HydrophobicContact CZ2-CG1 4.49Å; W88-V90 HydrophobicContact CZ2-CG2 3.65Å; W88-V90 HydrophobicContact CZ3-CG2 3.89Å; V90-V93 HydrophobicContact CG1-CG2 4.29Å; V90-I107 HydrophobicContact CB-CB 4.38Å; V90-I107 HydrophobicContact CB-CD1 4.27Å; V90-I107 HydrophobicContact CB-CG2 4.07Å; V90-I107 HydrophobicContact CG1-CB 4.37Å; V90-I107 HydrophobicContact CG1-CD1 3.64Å; V90-I107 WeakPolarHBondContact O-CG2 3.45Å; V90-Y108 VanDerWaalsContact O-CA 3.26Å; V90-Y108 WeakPolarHBondContact O-CA 3.36Å; V90-Y108 PolarHBondContact O-N 2.69Å; V90-R109 PolarHBondContact N-O 2.98Å; V90-R109 PolarHBondContact O-N 2.82Å; V90-I111 HydrophobicContact CG2-CD1 3.71Å; V90-I111 HydrophobicContact CG2-CG1 4.18Å
91A89.1Confident83Confident14 Ų1456.8 Ų56.812%0.11632%0.324CS..EExtended strand (participates in β ladder)trans-77.8-57.5178.500000110.2Y9 F89 I107 Y108Y9-A91 WeakPolarHBondContact O-CB 3.42Å; Y9-A91 PolarHBondContact O-N 2.81Å; F89-A91 HydrophobicContact CE1-CB 4.21Å; A91-I107 PolarHBondContact O-N 3.45Å; A91-Y108 HydrophobicContact CB-CD1 4.02Å; A91-Y108 HydrophobicContact CB-CE1 3.91Å; A91-Y108 PolarHBondContact O-N 2.72Å
92K92.6Very high84.8Confident41 Ų4153.6 Ų53.618%0.17831%0.306CS..EExtended strand (participates in β ladder)trans-158.7160.8175.265-179.9-178.4178.80112.2Y9 V94 F105Y9-K92 HydrophobicContact CD2-CD 4.39Å; Y9-K92 HydrophobicContact CD2-CG 3.64Å; Y9-K92 HydrophobicContact CE2-CG 4.42Å; Y9-K92 HydrophobicContact CG-CG 3.92Å; Y9-K92 PolarHBondContact N-O 2.9Å; Y9-K92 PolarHBondContact O-N 3.4Å; K92-V94 HydrophobicContact CD-CG2 4.28Å; K92-V94 HydrophobicContact CG-CG2 4.49Å; K92-F105 CarbonylContact C-O 3.57Å; K92-F105 WeakPolarHBondContact CA-O 3.4Å; K92-F105 WeakPolarHBondContact CB-O 3.16Å
93V95.2Very high86.7Confident3 Ų349.6 Ų49.62%0.01828%0.279CS..EExtended strand (participates in β ladder)trans-117.1136.1168.2-178.40000108.6V6 N7 I8 I24 I73 V90 V95 F105 I107V6-V93 HydrophobicContact CG1-CG1 3.75Å; N7-V93 CarbonylContact O-C 3.19Å; N7-V93 WeakPolarHBondContact O-CA 3.43Å; I8-V93 HydrophobicContact CG1-CG1 4.22Å; I8-V93 HydrophobicContact CG1-CG2 4.2Å; I24-V93 HydrophobicContact CD1-CG1 4.2Å; I73-V93 HydrophobicContact CD1-CB 3.7Å; I73-V93 HydrophobicContact CD1-CG1 4.05Å; I73-V93 HydrophobicContact CD1-CG2 3.77Å; V90-V93 HydrophobicContact CG1-CG2 4.29Å; V93-V95 HydrophobicContact CG1-CG2 4.13Å; V93-F105 HydrophobicContact CB-CB 4.19Å; V93-F105 PolarHBondContact N-O 3.47Å; V93-F105 PolarHBondContact O-N 2.97Å; V93-I107 HydrophobicContact CG2-CD1 3.97Å
94V96.9Very high88.6Confident16 Ų1646.8 Ų46.810%0.09727%0.267CS..EExtended strand (participates in β ladder)trans-123.5121.4176.8-179.10000108.7N7 Y9 K92 I102 Y103 Q104N7-V94 HydrophobicContact CB-CB 4.32Å; N7-V94 PolarHBondContact N-O 2.88Å; N7-V94 PolarHBondContact ND2-O 3.37Å; N7-V94 PolarHBondContact O-N 3.29Å; Y9-V94 HydrophobicContact CD2-CG2 4.29Å; Y9-V94 HydrophobicContact CE2-CB 4.21Å; Y9-V94 HydrophobicContact CE2-CG2 3.7Å; K92-V94 HydrophobicContact CD-CG2 4.28Å; K92-V94 HydrophobicContact CG-CG2 4.49Å; V94-I102 HydrophobicContact CG1-CG2 3.64Å; V94-Y103 CarbonylContact C-O 3.54Å; V94-Y103 WeakPolarHBondContact CA-O 3.35Å; V94-Q104 HydrophobicContact CG1-CG 4.43Å; V94-Q104 HydrophobicContact CG2-CG 4.26Å
95V97.8Very high90.4Very high0 Ų041 Ų410%023%0.23CC..EExtended strand (participates in β ladder)trans-111.5121.6-178.3-172.80000109.2Y4 K5 V6 L26 L70 V93 Y103 F105Y4-V95 HydrophobicContact CD1-CG1 3.98Å; K5-V95 WeakPolarHBondContact O-CA 3.37Å; V6-V95 HydrophobicContact CG1-CG2 4.48Å; V6-V95 HydrophobicContact CG2-CG1 4.3Å; V6-V95 HydrophobicContact CG2-CG2 4.28Å; L26-V95 HydrophobicContact CD1-CG1 4.11Å; L26-V95 HydrophobicContact CD2-CG1 4.48Å; L26-V95 HydrophobicContact CD2-CG2 4.02Å; L70-V95 HydrophobicContact CD1-CB 3.9Å; L70-V95 HydrophobicContact CD1-CG1 3.48Å; L70-V95 VanDerWaalsContact CD1-CG1 3.48Å; V93-V95 HydrophobicContact CG1-CG2 4.13Å; V95-Y103 PolarHBondContact N-O 3.36Å; V95-Y103 PolarHBondContact O-N 2.96Å; V95-F105 HydrophobicContact CB-CE2 4.38Å; V95-F105 HydrophobicContact CG2-CD2 4.26Å; V95-F105 HydrophobicContact CG2-CE2 3.87Å
96E97.5Very high91.9Very high72 Ų7237.7 Ų37.734%0.33621%0.213SC..EExtended strand (participates in β ladder)trans-96.5121172.4-176.7-176163.800108.4K5 D101K5-E96 HydrophobicContact CB-CB 4.21Å; K5-E96 WeakPolarHBondContact CD-OE2 3.28Å; K5-E96 PolarHBondContact N-O 3.07Å; K5-E96 IonicContact NZ-OE2 3.86Å; K5-E96 PolarHBondContact NZ-OE2 3.29Å; K5-E96 PolarHBondContact O-N 3.09Å; E96-D101 CarbonylContact C-O 3.49Å; E96-D101 WeakPolarHBondContact CA-O 3.22Å
97S95.7Very high92.9Very high8 Ų836.5 Ų36.56%0.05620%0.201CC..  trans-70.2159.3179.3100.30000110.6M99 G100 D101S97-M99 PolarHBondContact O-N 3.32Å; S97-M99 VanDerWaalsContact O-N 3.12Å; S97-M99 PolarHBondContact OG-N 2.84Å; S97-G100 PolarHBondContact O-N 2.7Å; S97-G100 PolarHBondContact OG-N 3.33Å; S97-D101 PolarHBondContact N-O 2.89Å; S97-D101 PolarHBondContact OG-N 3.35Å; S97-D101 VanDerWaalsContact OG-N 3.11Å; S97-D101 PolarHBondContact OG-OD2 3.48Å
98P92.3Very high93.4Very high52 Ų5236.1 Ų36.134%0.33819%0.194SC..THydrogen-bonded Turntrans-57.9-23.2172.1-16.723.4000113.8V2 Y4V2-P98 HydrophobicContact CB-CG 4.46Å; V2-P98 HydrophobicContact CG1-CB 3.79Å; V2-P98 HydrophobicContact CG1-CG 3.05Å; Y4-P98 HydrophobicContact CD2-CG 4.28Å; Y4-P98 VanDerWaalsContact CE1-CD 3.45Å; Y4-P98 HydrophobicContact CE1-CG 4.32Å; Y4-P98 HydrophobicContact CE2-CG 3.97Å
99M91.4Very high93.6Very high161 Ų16136.5 Ų36.579%0.79320%0.195SC*.THydrogen-bonded Turntrans-90.8-4.5177.7-59.8-63.4105.200112.5S97S97-M99 PolarHBondContact O-N 3.32Å; S97-M99 VanDerWaalsContact O-N 3.12Å; S97-M99 PolarHBondContact OG-N 2.84Å
100G92.9Very high93.8Very high42 Ų4237.1 Ų37.143%0.43320%0.197SC..SBendtrans94.14.5179.500000114.9S97S97-G100 PolarHBondContact O-N 2.7Å; S97-G100 PolarHBondContact OG-N 3.33Å
101D95.3Very high93.8Very high81 Ų8137.1 Ų37.143%0.43320%0.197SC..  trans-69.8144.4175.5-43.7-63.5000110.4E96 S97 Y103E96-D101 CarbonylContact C-O 3.49Å; E96-D101 WeakPolarHBondContact CA-O 3.22Å; S97-D101 PolarHBondContact N-O 2.89Å; S97-D101 PolarHBondContact OG-N 3.35Å; S97-D101 VanDerWaalsContact OG-N 3.11Å; S97-D101 PolarHBondContact OG-OD2 3.48Å; D101-Y103 HydrophobicContact CB-CE2 3.76Å
102I96.7Very high93.6Very high114 Ų11440.1 Ų40.159%0.58521%0.214SC*.EExtended strand (participates in β ladder)trans-114.6121.4-177.1-59.5176.9000109.3V94 Q104V94-I102 HydrophobicContact CG1-CG2 3.64Å; I102-Q104 HydrophobicContact CG2-CG 4.33Å
103Y97.4Very high93.3Very high30 Ų3040.4 Ų40.412%0.11822%0.217CC..EExtended strand (participates in β ladder)trans-110.3134.5175.5-58.9-90.6000109.7E69 L70 V94 V95 D101 E121E69-Y103 HydrophobicContact CG-CE1 3.89Å; L70-Y103 HydrophobicContact CB-CD1 3.77Å; L70-Y103 HydrophobicContact CB-CD2 4.02Å; L70-Y103 HydrophobicContact CB-CE1 3.96Å; L70-Y103 HydrophobicContact CB-CE2 4.2Å; L70-Y103 HydrophobicContact CB-CG 3.79Å; L70-Y103 HydrophobicContact CD1-CD2 3.76Å; L70-Y103 HydrophobicContact CD1-CE2 4.21Å; L70-Y103 HydrophobicContact CD1-CG 4.15Å; L70-Y103 HydrophobicContact CG-CD2 4.07Å; L70-Y103 HydrophobicContact CG-CE2 4.11Å; L70-Y103 HydrophobicContact CG-CG 4.35Å; V94-Y103 CarbonylContact C-O 3.54Å; V94-Y103 WeakPolarHBondContact CA-O 3.35Å; V95-Y103 PolarHBondContact N-O 3.36Å; V95-Y103 PolarHBondContact O-N 2.96Å; D101-Y103 HydrophobicContact CB-CE2 3.76Å; Y103-E121 HydrophobicContact CD1-CG 4.18Å
104Q96.9Very high92.9Very high49 Ų4942 Ų4223%0.22923%0.228CC..EExtended strand (participates in β ladder)trans-119131-176.7-65.6-170.975.800110.8V94 I102 P106 E121 G122 I654V94-Q104 HydrophobicContact CG1-CG 4.43Å; V94-Q104 HydrophobicContact CG2-CG 4.26Å; I102-Q104 HydrophobicContact CG2-CG 4.33Å; Q104-P106 WeakPolarHBondContact O-CD 2.85Å; Q104-E121 PolarHBondContact N-OE1 3.28Å; Q104-G122 WeakPolarHBondContact O-CA 3.44Å; Q104-G122 PolarHBondContact O-N 2.85Å; Q104-I654 HydrophobicContact CB-CG2 4.04Å
105F97Very high92.6Very high0 Ų047.5 Ų47.50%025%0.251CS..EExtended strand (participates in β ladder)trans-119.986.1179.7-58.1-93.7000108.4L70 I73 K92 V93 V95 I107 Q120 E121L70-F105 HydrophobicContact CB-CZ 4.44Å; I73-F105 HydrophobicContact CB-CD1 4.45Å; I73-F105 HydrophobicContact CD1-CB 3.73Å; I73-F105 HydrophobicContact CD1-CD1 4.09Å; I73-F105 HydrophobicContact CD1-CD2 4.25Å; I73-F105 HydrophobicContact CD1-CG 3.76Å; I73-F105 HydrophobicContact CG1-CB 4.34Å; I73-F105 HydrophobicContact CG1-CD1 3.81Å; I73-F105 HydrophobicContact CG1-CE1 4.35Å; I73-F105 HydrophobicContact CG1-CG 4.02Å; I73-F105 HydrophobicContact CG2-CD1 4.06Å; I73-F105 HydrophobicContact CG2-CD2 4.09Å; I73-F105 HydrophobicContact CG2-CE1 3.86Å; I73-F105 HydrophobicContact CG2-CE2 3.87Å; I73-F105 HydrophobicContact CG2-CG 4.21Å; I73-F105 HydrophobicContact CG2-CZ 3.76Å; K92-F105 CarbonylContact C-O 3.57Å; K92-F105 WeakPolarHBondContact CA-O 3.4Å; K92-F105 WeakPolarHBondContact CB-O 3.16Å; V93-F105 HydrophobicContact CB-CB 4.19Å; V93-F105 PolarHBondContact N-O 3.47Å; V93-F105 PolarHBondContact O-N 2.97Å; V95-F105 HydrophobicContact CB-CE2 4.38Å; V95-F105 HydrophobicContact CG2-CD2 4.26Å; V95-F105 HydrophobicContact CG2-CE2 3.87Å; F105-I107 PolarHBondContact O-N 3.15Å; F105-Q120 VanDerWaalsContact CD1-C 3.45Å; F105-Q120 VanDerWaalsContact CD1-O 3.32Å; F105-Q120 WeakPolarHBondContact CD1-O 3.49Å; F105-E121 HydrophobicContact CE1-CB 4.06Å; F105-E121 VanDerWaalsContact CE1-N 3.35Å; F105-E121 HydrophobicContact CZ-CB 4.44Å; F105-E121 HydrophobicContact CZ-CG 4.49Å
106P94.6Very high92.5Very high13 Ų1350.6 Ų50.68%0.08427%0.267CS..EExtended strand (participates in β ladder)trans-70.8118.4175.828-31.4000110.1Q104 Y108Q104-P106 WeakPolarHBondContact O-CD 2.85Å; P106-Y108 HydrophobicContact CB-CD2 4.18Å; P106-Y108 HydrophobicContact CB-CE2 3.79Å
107I93.4Very high92.3Very high0 Ų047.9 Ų47.90%025%0.254CS..EExtended strand (participates in β ladder)trans-108.9-61.5-174.1-65168.9000110.2I73 V90 A91 V93 F105 R109 F119 M419I73-I107 HydrophobicContact CD1-CD1 4.32Å; V90-I107 HydrophobicContact CB-CB 4.38Å; V90-I107 HydrophobicContact CB-CD1 4.27Å; V90-I107 HydrophobicContact CB-CG2 4.07Å; V90-I107 HydrophobicContact CG1-CB 4.37Å; V90-I107 HydrophobicContact CG1-CD1 3.64Å; V90-I107 WeakPolarHBondContact O-CG2 3.45Å; A91-I107 PolarHBondContact O-N 3.45Å; V93-I107 HydrophobicContact CG2-CD1 3.97Å; F105-I107 PolarHBondContact O-N 3.15Å; I107-R109 VanDerWaalsContact C-N 3.3Å; I107-R109 HydrophobicContact CG2-CB 3.85Å; I107-R109 PolarHBondContact O-N 3.37Å; I107-F119 HydrophobicContact CB-CE1 4.39Å; I107-F119 HydrophobicContact CD1-CD1 4.36Å; I107-F119 HydrophobicContact CD1-CD2 3.71Å; I107-F119 HydrophobicContact CD1-CE2 3.87Å; I107-F119 HydrophobicContact CD1-CG 3.96Å; I107-F119 HydrophobicContact CD1-CZ 4.27Å; I107-F119 HydrophobicContact CG1-CB 4.36Å; I107-F119 HydrophobicContact CG1-CD1 3.82Å; I107-F119 HydrophobicContact CG1-CD2 4.08Å; I107-F119 HydrophobicContact CG1-CE1 4.07Å; I107-F119 HydrophobicContact CG1-CE2 4.32Å; I107-F119 HydrophobicContact CG1-CG 3.81Å; I107-F119 HydrophobicContact CG1-CZ 4.31Å; I107-F119 HydrophobicContact CG2-CD1 4.21Å; I107-F119 HydrophobicContact CG2-CE1 3.61Å; I107-F119 HydrophobicContact CG2-CE2 4.36Å; I107-F119 HydrophobicContact CG2-CZ 3.69Å; I107-M419 WeakPolarHBondContact O-CE 3.36Å
108Y91.4Very high92.3Very high28 Ų2849.8 Ų49.811%0.1126%0.261CS..EExtended strand (participates in β ladder)trans46.251.8-178.3-56.9-76.5000112.6V90 A91 P106 E650 Q651 R652V90-Y108 VanDerWaalsContact O-CA 3.26Å; V90-Y108 WeakPolarHBondContact O-CA 3.36Å; V90-Y108 PolarHBondContact O-N 2.69Å; A91-Y108 HydrophobicContact CB-CD1 4.02Å; A91-Y108 HydrophobicContact CB-CE1 3.91Å; A91-Y108 PolarHBondContact O-N 2.72Å; P106-Y108 HydrophobicContact CB-CD2 4.18Å; P106-Y108 HydrophobicContact CB-CE2 3.79Å; Y108-E650 HydrophobicContact CD1-CB 3.93Å; Y108-E650 HydrophobicContact CD1-CG 3.66Å; Y108-E650 HydrophobicContact CD2-CB 4.17Å; Y108-E650 HydrophobicContact CE1-CB 3.96Å; Y108-E650 HydrophobicContact CE1-CG 3.97Å; Y108-E650 HydrophobicContact CE2-CB 4.21Å; Y108-E650 HydrophobicContact CG-CB 4.04Å; Y108-E650 HydrophobicContact CG-CG 4.04Å; Y108-Q651 WeakPolarHBondContact CE2-O 3.48Å; Y108-Q651 PolarHBondContact OH-N 3.46Å; Y108-Q651 VanDerWaalsContact OH-N 3.08Å; Y108-R652 VanDerWaalsContact CB-NH2 3.28Å; Y108-R652 HydrophobicContact CD2-CG 4.18Å; Y108-R652 HydrophobicContact CE2-CG 4.41Å
109R89.1Confident92.5Very high12 Ų1247.7 Ų47.75%0.04525%0.247CC..EExtended strand (participates in β ladder)trans-142.8149.9-175.5-161.5-177.1-79.1-178.4-4.6111.4V90 I107 D142 E145 D202 M419V90-R109 PolarHBondContact N-O 2.98Å; V90-R109 PolarHBondContact O-N 2.82Å; I107-R109 VanDerWaalsContact C-N 3.3Å; I107-R109 HydrophobicContact CG2-CB 3.85Å; I107-R109 PolarHBondContact O-N 3.37Å; R109-D142 IonicContact CZ-OD1 2.75Å; R109-D142 VanDerWaalsContact CZ-OD1 3.22Å; R109-D142 IonicContact NH1-OD1 2.65Å; R109-D142 PolarHBondContact NH1-OD1 3.36Å; R109-D142 IonicContact NH2-OD1 3.33Å; R109-D142 PolarHBondContact NH2-OD1 3.09Å; R109-E145 IonicContact NH1-OE2 3.97Å; R109-D202 WeakPolarHBondContact CA-OD1 3.41Å; R109-D202 WeakPolarHBondContact CG-OD1 3.29Å; R109-D202 WeakPolarHBondContact CG-OD2 3.5Å; R109-M419 PolarHBondContact NH2-SD 3.48Å
110W87.8Confident92.7Very high44 Ų4440.7 Ų40.717%0.16721%0.212CC..EExtended strand (participates in β ladder)trans-81.4121.5170.1-71.295.7000112.3H15 F89 T112 L201 D202H15-W110 HydrophobicContact CB-CH2 3.91Å; H15-W110 HydrophobicContact CB-CZ2 4.21Å; H15-W110 WeakPolarHBondContact O-CH2 3.4Å; F89-W110 HydrophobicContact CB-CD2 3.83Å; F89-W110 HydrophobicContact CB-CE3 3.76Å; F89-W110 HydrophobicContact CB-CH2 4.02Å; F89-W110 HydrophobicContact CB-CZ2 4.03Å; F89-W110 HydrophobicContact CB-CZ3 3.87Å; F89-W110 AromaticContact CD2-CD1 3.65Å; F89-W110 AromaticContact CD2-CD2 3.89Å; F89-W110 HydrophobicContact CD2-CD2 3.89Å; F89-W110 AromaticContact CD2-CE2 3.72Å; F89-W110 AromaticContact CD2-CG 3.88Å; F89-W110 HydrophobicContact CD2-CG 3.88Å; F89-W110 HydrophobicContact CD2-CZ2 4.39Å; F89-W110 AromaticContact CD2-NE1 3.53Å; F89-W110 HydrophobicContact CG-CD2 4.35Å; W110-T112 HydrophobicContact CB-CG2 4.3Å; W110-L201 HydrophobicContact CB-CB 3.88Å; W110-L201 HydrophobicContact CB-CD1 4.29Å; W110-L201 VanDerWaalsContact CD1-CB 3.46Å; W110-L201 HydrophobicContact CD2-CB 4Å; W110-L201 HydrophobicContact CD2-CD1 4.04Å; W110-L201 HydrophobicContact CE3-CD1 4.11Å; W110-L201 HydrophobicContact CG-CB 3.5Å; W110-L201 HydrophobicContact CG-CD1 4.15Å; W110-L201 HydrophobicContact CG-CG 4.49Å; W110-D202 PolarHBondContact N-OD1 3.28Å
111I88.3Confident92.8Very high0 Ų040.1 Ų40.10%020%0.198CC..EExtended strand (participates in β ladder)trans-94.1107169.7-58.7-178.9000109.3V75 K77 W88 V90 F119V75-I111 HydrophobicContact CB-CD1 4.46Å; V75-I111 HydrophobicContact CG1-CD1 3.92Å; K77-I111 HydrophobicContact CB-CG2 4.08Å; K77-I111 PolarHBondContact NZ-O 3.03Å; W88-I111 HydrophobicContact CE3-CB 4.38Å; W88-I111 HydrophobicContact CE3-CD1 4.08Å; W88-I111 HydrophobicContact CZ3-CD1 4.17Å; W88-I111 PolarHBondContact N-O 3.31Å; W88-I111 PolarHBondContact O-N 2.96Å; V90-I111 HydrophobicContact CG2-CD1 3.71Å; V90-I111 HydrophobicContact CG2-CG1 4.18Å; I111-F119 HydrophobicContact CD1-CE2 4.27Å; I111-F119 HydrophobicContact CD1-CZ 4.36Å
112T84.7Confident92.8Very high76 Ų7636.3 Ų36.347%0.46618%0.178SC..  trans-103.3-29.3-171.9600000113.4K77 W110 L201K77-T112 VanDerWaalsContact NZ-C 3.34Å; K77-T112 PolarHBondContact NZ-O 3.47Å; W110-T112 HydrophobicContact CB-CG2 4.3Å; T112-L201 HydrophobicContact CG2-CD1 3.86Å
113D86.1Confident92.6Very high47 Ų4732.6 Ų32.625%0.25116%0.162SC..SBendtrans-103.7-174.2179.570.123.7000112.7K77 K115 H117K77-D113 WeakPolarHBondContact CB-O 3.49Å; K77-D113 WeakPolarHBondContact CE-O 3.49Å; D113-K115 WeakPolarHBondContact OD1-CB 3.47Å; D113-K115 PolarHBondContact OD1-N 2.76Å; D113-K115 VanDerWaalsContact OD1-N 3.09Å; D113-K115 VanDerWaalsContact OD2-CD 3.27Å; D113-K115 WeakPolarHBondContact OD2-CD 3.45Å; D113-K115 WeakPolarHBondContact OD2-CE 3.21Å; D113-K115 IonicContact OD2-NZ 3.6Å; D113-K115 PolarHBondContact OD2-NZ 3.25Å; D113-H117 IonicContact OD1-CD2 2.79Å; D113-H117 IonicContact OD1-CE1 3.06Å; D113-H117 IonicContact OD1-NE2 3.16Å; D113-H117 PolarHBondContact OD1-NE2 3.25Å
114C88.2Confident92.5Very high37 Ų3731.6 Ų31.625%0.2516%0.16CC..SBendtrans-11426.9179.1-60.30000111.6K77 H79K77-C114 WeakPolarHBondContact O-CA 3.46Å; K77-C114 VanDerWaalsContact O-CB 3.22Å; K77-C114 WeakPolarHBondContact O-CB 3.32Å; K77-C114 PolarHBondContact O-SG 3.05Å; K77-C114 VanDerWaalsContact O-SG 3.37Å; H79-C114 PolarHBondContact CE1-SG 3.5Å; H79-C114 PolarHBondContact ND1-SG 3Å; H79-C114 VanDerWaalsContact ND1-SG 3.39Å
115K90.8Very high92.3Very high132 Ų13232.1 Ų32.157%0.57416%0.161SC*.SBendtrans-80.8172172.8-62.1-179.7-167.1150.70110D113 H117D113-K115 WeakPolarHBondContact OD1-CB 3.47Å; D113-K115 PolarHBondContact OD1-N 2.76Å; D113-K115 VanDerWaalsContact OD1-N 3.09Å; D113-K115 VanDerWaalsContact OD2-CD 3.27Å; D113-K115 WeakPolarHBondContact OD2-CD 3.45Å; D113-K115 WeakPolarHBondContact OD2-CE 3.21Å; D113-K115 IonicContact OD2-NZ 3.6Å; D113-K115 PolarHBondContact OD2-NZ 3.25Å; K115-H117 PolarHBondContact O-CD2 2.94Å; K115-H117 VanDerWaalsContact O-CD2 3.23Å
116D94Very high92.1Very high65 Ų6532.5 Ų32.535%0.34816%0.163SC..EExtended strand (participates in β ladder)trans-77.8123.7170.7-63.2-18.9000109.3I74 Q76 Y118I74-D116 HydrophobicContact CG2-CB 3.79Å; Q76-D116 PolarHBondContact NE2-OD1 2.62Å; D116-Y118 HydrophobicContact CB-CD2 4.43Å; D116-Y118 HydrophobicContact CB-CE2 3.55Å; D116-Y118 WeakPolarHBondContact O-CE2 3.11Å
117H94.5Very high91.9Very high14 Ų1435.9 Ų35.97%0.06518%0.18CC..EExtended strand (participates in β ladder)trans-106.3129.4173.5-67.1-97.9000108.9I74 V75 D113 K115 F119 E145I74-H117 CarbonylContact C-O 3.44Å; I74-H117 WeakPolarHBondContact CA-O 3.48Å; V75-H117 PolarHBondContact N-O 2.7Å; V75-H117 WeakPolarHBondContact O-CB 3.16Å; V75-H117 PolarHBondContact O-N 3.01Å; D113-H117 IonicContact OD1-CD2 2.79Å; D113-H117 IonicContact OD1-CE1 3.06Å; D113-H117 IonicContact OD1-NE2 3.16Å; D113-H117 PolarHBondContact OD1-NE2 3.25Å; K115-H117 PolarHBondContact O-CD2 2.94Å; K115-H117 VanDerWaalsContact O-CD2 3.23Å; H117-F119 HydrophobicContact CB-CD2 4.49Å; H117-F119 HydrophobicContact CB-CE2 3.57Å; H117-F119 HydrophobicContact CB-CZ 3.76Å; H117-E145 IonicContact ND1-OE2 2.71Å
118Y96.4Very high91.7Very high48 Ų4840.9 Ų40.919%0.18822%0.215CC..EExtended strand (participates in β ladder)trans-109.1121.2-171.6-63.6-102.3000109.5I74 D116 I134 L137 K141I74-Y118 HydrophobicContact CD1-CD1 4.16Å; I74-Y118 HydrophobicContact CD1-CE1 3.72Å; I74-Y118 HydrophobicContact CG1-CD1 3.87Å; I74-Y118 HydrophobicContact CG1-CE1 3.92Å; I74-Y118 HydrophobicContact CG2-CD1 4.45Å; I74-Y118 HydrophobicContact CG2-CE1 4.22Å; D116-Y118 HydrophobicContact CB-CD2 4.43Å; D116-Y118 HydrophobicContact CB-CE2 3.55Å; D116-Y118 WeakPolarHBondContact O-CE2 3.11Å; Y118-I134 HydrophobicContact CD1-CD1 4.23Å; Y118-L137 HydrophobicContact CD1-CD2 4.14Å; Y118-L137 HydrophobicContact CD1-CG 4.48Å; Y118-L137 HydrophobicContact CE1-CD2 3.79Å; Y118-K141 HydrophobicContact CD2-CB 4.28Å; Y118-K141 HydrophobicContact CD2-CD 4.46Å; Y118-K141 HydrophobicContact CD2-CG 4.03Å; Y118-K141 HydrophobicContact CE2-CD 4.5Å; Y118-K141 HydrophobicContact CE2-CG 4.41Å; Y118-K141 HydrophobicContact CG-CG 4.47Å
119F96.1Very high91.6Very high9 Ų943.4 Ų43.44%0.03923%0.228CC..EExtended strand (participates in β ladder)trans-126.4130.7-179.8-55.8-73.7000110.7A72 I73 V75 I107 I111 H117A72-F119 CarbonylContact C-O 3.55Å; A72-F119 WeakPolarHBondContact CA-O 3.32Å; A72-F119 WeakPolarHBondContact CB-O 3.3Å; I73-F119 HydrophobicContact CD1-CB 4.38Å; I73-F119 HydrophobicContact CG1-CB 3.83Å; I73-F119 HydrophobicContact CG1-CD2 4.3Å; I73-F119 PolarHBondContact N-O 3.22Å; I73-F119 PolarHBondContact O-N 2.96Å; V75-F119 HydrophobicContact CB-CD2 4.47Å; V75-F119 HydrophobicContact CB-CE2 4.17Å; V75-F119 HydrophobicContact CG2-CD2 4.1Å; V75-F119 HydrophobicContact CG2-CE2 4.21Å; I107-F119 HydrophobicContact CB-CE1 4.39Å; I107-F119 HydrophobicContact CD1-CD1 4.36Å; I107-F119 HydrophobicContact CD1-CD2 3.71Å; I107-F119 HydrophobicContact CD1-CE2 3.87Å; I107-F119 HydrophobicContact CD1-CG 3.96Å; I107-F119 HydrophobicContact CD1-CZ 4.27Å; I107-F119 HydrophobicContact CG1-CB 4.36Å; I107-F119 HydrophobicContact CG1-CD1 3.82Å; I107-F119 HydrophobicContact CG1-CD2 4.08Å; I107-F119 HydrophobicContact CG1-CE1 4.07Å; I107-F119 HydrophobicContact CG1-CE2 4.32Å; I107-F119 HydrophobicContact CG1-CG 3.81Å; I107-F119 HydrophobicContact CG1-CZ 4.31Å; I107-F119 HydrophobicContact CG2-CD1 4.21Å; I107-F119 HydrophobicContact CG2-CE1 3.61Å; I107-F119 HydrophobicContact CG2-CE2 4.36Å; I107-F119 HydrophobicContact CG2-CZ 3.69Å; I111-F119 HydrophobicContact CD1-CE2 4.27Å; I111-F119 HydrophobicContact CD1-CZ 4.36Å; H117-F119 HydrophobicContact CB-CD2 4.49Å; H117-F119 HydrophobicContact CB-CE2 3.57Å; H117-F119 HydrophobicContact CB-CZ 3.76Å
120Q95.2Very high91.6Very high13 Ų1343.1 Ų43.16%0.06123%0.227CC..EExtended strand (participates in β ladder)trans-85.9158.3175.1-168.31754.500111.2L71 F105 E130 T135 C138 M420L71-Q120 WeakPolarHBondContact O-CG 3.25Å; F105-Q120 VanDerWaalsContact CD1-C 3.45Å; F105-Q120 VanDerWaalsContact CD1-O 3.32Å; F105-Q120 WeakPolarHBondContact CD1-O 3.49Å; Q120-E130 PolarHBondContact NE2-OE1 3.03Å; Q120-E130 PolarHBondContact NE2-OE2 3.33Å; Q120-E130 PolarHBondContact OE1-OE1 2.88Å; Q120-T135 HydrophobicContact CG-CG2 4.3Å; Q120-C138 HydrophobicContact CB-CB 4.28Å; Q120-M420 HydrophobicContact CB-CE 3.56Å
121E95.8Very high91.6Very high31 Ų3149.4 Ų49.415%0.14526%0.258CS..  trans-49.9146.3165.8-155-70.3137.400110.9L71 Y103 Q104 F105 S123 I654L71-E121 PolarHBondContact O-N 2.87Å; Y103-E121 HydrophobicContact CD1-CG 4.18Å; Q104-E121 PolarHBondContact N-OE1 3.28Å; F105-E121 HydrophobicContact CE1-CB 4.06Å; F105-E121 VanDerWaalsContact CE1-N 3.35Å; F105-E121 HydrophobicContact CZ-CB 4.44Å; F105-E121 HydrophobicContact CZ-CG 4.49Å; E121-S123 PolarHBondContact O-N 3.44Å; E121-S123 VanDerWaalsContact O-N 3.13Å; E121-S123 VanDerWaalsContact OE2-CB 3.23Å; E121-S123 WeakPolarHBondContact OE2-CB 3.24Å; E121-S123 PolarHBondContact OE2-N 3.36Å; E121-S123 PolarHBondContact OE2-OG 3.49Å; E121-I654 WeakPolarHBondContact OE1-CD1 3.5Å; E121-I654 WeakPolarHBondContact OE2-CD1 3.48Å
122G93.8Very high91.8Very high1 Ų153.6 Ų53.61%0.0128%0.278CS..SBendtrans-69.6-9.2-165.800000115.7Q104 A124 K425 I654Q104-G122 WeakPolarHBondContact O-CA 3.44Å; Q104-G122 PolarHBondContact O-N 2.85Å; G122-A124 PolarHBondContact O-N 3.14Å; G122-K425 PolarHBondContact O-NZ 3.14Å; G122-I654 VanDerWaalsContact C-CD1 3.49Å
123S94.1Very high92.2Very high36 Ų3656.4 Ų56.425%0.25229%0.29SS..SBendtrans-58.9129.5173.8-59.50000110.2E121 E655E121-S123 PolarHBondContact O-N 3.44Å; E121-S123 VanDerWaalsContact O-N 3.13Å; E121-S123 VanDerWaalsContact OE2-CB 3.23Å; E121-S123 WeakPolarHBondContact OE2-CB 3.24Å; E121-S123 PolarHBondContact OE2-N 3.36Å; E121-S123 PolarHBondContact OE2-OG 3.49Å; S123-E655 WeakPolarHBondContact CA-OE1 3.41Å
124A94.9Very high92.5Very high9 Ų955.5 Ų55.57%0.07429%0.285CS..  trans-75.6128.5178.100000110.6G122 M420 P422 K425 Y520 F653 E655G122-A124 PolarHBondContact O-N 3.14Å; A124-M420 WeakPolarHBondContact CA-O 3.38Å; A124-P422 HydrophobicContact CB-CB 3.99Å; A124-K425 HydrophobicContact CB-CD 3.62Å; A124-Y520 HydrophobicContact CB-CD1 4.41Å; A124-Y520 HydrophobicContact CB-CE1 3.61Å; A124-F653 HydrophobicContact CB-CE1 4.41Å; A124-E655 PolarHBondContact N-OE1 3.2Å
125K91.2Very high92.8Very high59 Ų5953.9 Ų53.926%0.25727%0.274SS..  trans-138159.2-173.7-69.8-174.8176.9-176.20111.5E130 W139 M420K125-E130 WeakPolarHBondContact CB-OE1 3.45Å; K125-E130 WeakPolarHBondContact CD-OE1 3.5Å; K125-W139 WeakPolarHBondContact O-CZ3 3.32Å; K125-M420 PolarHBondContact N-O 3.09Å; K125-M420 VanDerWaalsContact N-O 3.12Å
126F93.9Very high93Very high8 Ų851.2 Ų51.24%0.03526%0.263CS..  trans-98.7153.9167.8-56.2-65.9000110.3S128 Q129 P422 Y520 Y521 M526F126-S128 PolarHBondContact O-N 3.48Å; F126-S128 VanDerWaalsContact O-N 3.11Å; F126-Q129 HydrophobicContact CB-CG 4.36Å; F126-Q129 HydrophobicContact CD2-CG 4.48Å; F126-Q129 WeakPolarHBondContact O-CA 3.36Å; F126-Q129 WeakPolarHBondContact O-CB 3.49Å; F126-Q129 PolarHBondContact O-N 3.2Å; F126-P422 HydrophobicContact CD1-CG 4.48Å; F126-P422 HydrophobicContact CE1-CG 3.64Å; F126-P422 HydrophobicContact CZ-CG 3.89Å; F126-Y520 WeakPolarHBondContact CE2-O 3.36Å; F126-Y521 HydrophobicContact CD1-CE1 4.45Å; F126-Y521 HydrophobicContact CE1-CD1 4.27Å; F126-Y521 AromaticContact CE1-CE1 3.52Å; F126-Y521 HydrophobicContact CE1-CE1 3.52Å; F126-Y521 AromaticContact CE1-CE2 3.99Å; F126-Y521 HydrophobicContact CE1-CE2 3.99Å; F126-Y521 AromaticContact CE1-CZ 3.37Å; F126-Y521 WeakPolarHBondContact CE1-OH 3.15Å; F126-Y521 AromaticContact CZ-CD1 3.85Å; F126-Y521 HydrophobicContact CZ-CD1 3.85Å; F126-Y521 HydrophobicContact CZ-CD2 4.17Å; F126-Y521 AromaticContact CZ-CE1 3.58Å; F126-Y521 HydrophobicContact CZ-CE1 3.58Å; F126-Y521 AromaticContact CZ-CE2 3.93Å; F126-Y521 HydrophobicContact CZ-CE2 3.93Å; F126-Y521 HydrophobicContact CZ-CG 4.15Å; F126-Y521 AromaticContact CZ-CZ 3.65Å; F126-M526 HydrophobicContact CD2-CE 3.91Å; F126-M526 HydrophobicContact CE2-CE 3.51Å; F126-M526 HydrophobicContact CZ-CE 4.46Å
127L91.2Very high93Very high84 Ų8451.2 Ų51.244%0.4426%0.263SS..G310 helixtrans-55.4-32.9175.5-175.961.1000112.9Q129 E130 W139L127-Q129 PolarHBondContact O-N 3.08Å; L127-E130 WeakPolarHBondContact O-CB 3.4Å; L127-E130 PolarHBondContact O-N 3.2Å; L127-E130 VanDerWaalsContact O-N 3.15Å; L127-W139 HydrophobicContact CB-CD2 4.13Å; L127-W139 HydrophobicContact CB-CE3 4.44Å; L127-W139 HydrophobicContact CB-CH2 4.12Å; L127-W139 HydrophobicContact CB-CZ2 3.79Å; L127-W139 HydrophobicContact CB-CZ3 4.44Å; L127-W139 HydrophobicContact CD1-CB 4.31Å; L127-W139 HydrophobicContact CD1-CD2 4.06Å; L127-W139 HydrophobicContact CD1-CG 3.87Å
128S88.8Confident93Very high105 Ų10550.5 Ų50.573%0.73426%0.26SS*.G310 helixtrans-67.3-14.9176.953.40000114.1F126F126-S128 PolarHBondContact O-N 3.48Å; F126-S128 VanDerWaalsContact O-N 3.11Å
129Q88.6Confident93Very high81 Ų8148.8 Ų48.838%0.37925%0.253SS..G310 helixtrans-99.5-1.4177-59.8171.2-41.900112.1F126 L127 E131F126-Q129 HydrophobicContact CB-CG 4.36Å; F126-Q129 HydrophobicContact CD2-CG 4.48Å; F126-Q129 WeakPolarHBondContact O-CA 3.36Å; F126-Q129 WeakPolarHBondContact O-CB 3.49Å; F126-Q129 PolarHBondContact O-N 3.2Å; L127-Q129 PolarHBondContact O-N 3.08Å; Q129-E131 PolarHBondContact O-N 3.42Å
130E88.9Confident92.9Very high7 Ų751.4 Ų51.43%0.03327%0.27CS..  trans-87.898.3178.5-60.1-55.8167.600110.5Q120 K125 L127 T135 Q136Q120-E130 PolarHBondContact NE2-OE1 3.03Å; Q120-E130 PolarHBondContact NE2-OE2 3.33Å; Q120-E130 PolarHBondContact OE1-OE1 2.88Å; K125-E130 WeakPolarHBondContact CB-OE1 3.45Å; K125-E130 WeakPolarHBondContact CD-OE1 3.5Å; L127-E130 WeakPolarHBondContact O-CB 3.4Å; L127-E130 PolarHBondContact O-N 3.2Å; L127-E130 VanDerWaalsContact O-N 3.15Å; E130-T135 WeakPolarHBondContact OE2-CB 3.37Å; E130-T135 PolarHBondContact OE2-OG1 3.02Å; E130-Q136 HydrophobicContact CB-CG 3.76Å; E130-Q136 PolarHBondContact O-NE2 2.7Å
131E88.1Confident92.8Very high176 Ų17653.9 Ų53.982%0.82228%0.28SS*.  trans-86.4-27.7-178.9-61.1-174.8176.100112.6Q129Q129-E131 PolarHBondContact O-N 3.42Å
132E91.9Very high92.8Very high88 Ų8852.7 Ų52.741%0.41128%0.275SS..SBendtrans-94.7140.4-172.3-67.3-67.8167.400112.3L71 I134 T135 Q136L71-E132 HydrophobicContact CD1-CB 3.96Å; L71-E132 HydrophobicContact CD1-CG 3.69Å; E132-I134 HydrophobicContact CB-CG2 4.32Å; E132-I134 PolarHBondContact O-N 3.01Å; E132-I134 VanDerWaalsContact O-N 3.16Å; E132-T135 HydrophobicContact CB-CG2 4.41Å; E132-T135 PolarHBondContact O-N 3.02Å; E132-T135 VanDerWaalsContact O-N 3.11Å; E132-T135 PolarHBondContact O-OG1 3.41Å; E132-T135 VanDerWaalsContact O-OG1 3.04Å; E132-Q136 PolarHBondContact O-N 3.28Å
133N92.8Very high92.7Very high134 Ų13453.3 Ų53.372%0.71728%0.278SS*.Hα-helixtrans-57.3-36.6-178-74.6-36.1000112.4L137N133-L137 VanDerWaalsContact O-CB 3.31Å; N133-L137 WeakPolarHBondContact O-CB 3.23Å; N133-L137 PolarHBondContact O-N 2.87Å
134I94.3Very high92.6Very high28 Ų2856.2 Ų56.214%0.14429%0.288CS..Hα-helixtrans-68.3-37-178.9-173.360.7000112V27 L71 A72 Y118 E132 L137 C138V27-I134 HydrophobicContact CB-CG1 4.21Å; V27-I134 HydrophobicContact CG1-CB 4.2Å; V27-I134 HydrophobicContact CG1-CG1 3.9Å; V27-I134 HydrophobicContact CG1-CG2 4.11Å; V27-I134 HydrophobicContact CG2-CG1 4.45Å; L71-I134 HydrophobicContact CB-CG2 4.19Å; L71-I134 HydrophobicContact CD1-CG2 4.08Å; A72-I134 HydrophobicContact CB-CG1 3.65Å; Y118-I134 HydrophobicContact CD1-CD1 4.23Å; E132-I134 HydrophobicContact CB-CG2 4.32Å; E132-I134 PolarHBondContact O-N 3.01Å; E132-I134 VanDerWaalsContact O-N 3.16Å; I134-L137 HydrophobicContact CD1-CD2 4.29Å; I134-L137 WeakPolarHBondContact O-CB 3.27Å; I134-L137 PolarHBondContact O-N 3.49Å; I134-C138 PolarHBondContact O-N 3.27Å; I134-C138 PolarHBondContact O-SG 2.69Å
135T93.8Very high92.3Very high3 Ų358.1 Ų58.12%0.01830%0.295CS..Hα-helixtrans-77.3-36.5-177.662.90000111.4L71 Q120 E130 E132 L137 C138 W139L71-T135 HydrophobicContact CB-CG2 3.98Å; Q120-T135 HydrophobicContact CG-CG2 4.3Å; E130-T135 WeakPolarHBondContact OE2-CB 3.37Å; E130-T135 PolarHBondContact OE2-OG1 3.02Å; E132-T135 HydrophobicContact CB-CG2 4.41Å; E132-T135 PolarHBondContact O-N 3.02Å; E132-T135 VanDerWaalsContact O-N 3.11Å; E132-T135 PolarHBondContact O-OG1 3.41Å; E132-T135 VanDerWaalsContact O-OG1 3.04Å; T135-L137 VanDerWaalsContact C-N 3.29Å; T135-L137 PolarHBondContact O-N 3.07Å; T135-C138 WeakPolarHBondContact O-CB 3.39Å; T135-C138 PolarHBondContact O-N 3.15Å; T135-W139 PolarHBondContact O-N 3.46Å
136Q94.1Very high92.2Very high77 Ų7755.5 Ų55.536%0.3628%0.284SS..Hα-helixtrans-61-37.4167.5-65179.8800112.4E130 E132 T140E130-Q136 HydrophobicContact CB-CG 3.76Å; E130-Q136 PolarHBondContact O-NE2 2.7Å; E132-Q136 PolarHBondContact O-N 3.28Å; Q136-T140 WeakPolarHBondContact O-CB 3.34Å; Q136-T140 PolarHBondContact O-N 3.06Å; Q136-T140 PolarHBondContact O-OG1 3.33Å
137L94.9Very high91.8Very high64 Ų6459.2 Ų59.234%0.33530%0.297SS..Hα-helixtrans-65.9-44.8174.5-178.563.5000111.3Y118 N133 I134 T135 W139 T140 K141Y118-L137 HydrophobicContact CD1-CD2 4.14Å; Y118-L137 HydrophobicContact CD1-CG 4.48Å; Y118-L137 HydrophobicContact CE1-CD2 3.79Å; N133-L137 VanDerWaalsContact O-CB 3.31Å; N133-L137 WeakPolarHBondContact O-CB 3.23Å; N133-L137 PolarHBondContact O-N 2.87Å; I134-L137 HydrophobicContact CD1-CD2 4.29Å; I134-L137 WeakPolarHBondContact O-CB 3.27Å; I134-L137 PolarHBondContact O-N 3.49Å; T135-L137 VanDerWaalsContact C-N 3.29Å; T135-L137 PolarHBondContact O-N 3.07Å; L137-W139 VanDerWaalsContact C-N 3.32Å; L137-W139 PolarHBondContact O-N 3.38Å; L137-T140 PolarHBondContact O-N 3Å; L137-K141 HydrophobicContact CD1-CG 3.82Å; L137-K141 HydrophobicContact CG-CG 4.11Å; L137-K141 VanDerWaalsContact O-CB 3.31Å; L137-K141 WeakPolarHBondContact O-CB 3.44Å; L137-K141 VanDerWaalsContact O-CG 3.3Å; L137-K141 WeakPolarHBondContact O-CG 3.46Å; L137-K141 PolarHBondContact O-N 3.14Å
138C95.3Very high91.4Very high0 Ų057.9 Ų57.90%030%0.298CS..Hα-helixtrans-55.4-48.4175.3-66.20000111Q120 I134 T135 T140 K141 D142 M420Q120-C138 HydrophobicContact CB-CB 4.28Å; I134-C138 PolarHBondContact O-N 3.27Å; I134-C138 PolarHBondContact O-SG 2.69Å; T135-C138 WeakPolarHBondContact O-CB 3.39Å; T135-C138 PolarHBondContact O-N 3.15Å; C138-T140 PolarHBondContact O-N 3.42Å; C138-K141 PolarHBondContact O-N 3.21Å; C138-D142 WeakPolarHBondContact O-CB 3.44Å; C138-D142 PolarHBondContact O-N 3.06Å; C138-M420 HydrophobicContact CB-CE 3.97Å
139W94.8Very high91.1Very high12 Ų1255.8 Ų55.85%0.04528%0.278CS..Hα-helixtrans-57-49.1176.6-174.3-74.5000112.6K125 L127 T135 L137 L143 P418 M420 H421 A532K125-W139 WeakPolarHBondContact O-CZ3 3.32Å; L127-W139 HydrophobicContact CB-CD2 4.13Å; L127-W139 HydrophobicContact CB-CE3 4.44Å; L127-W139 HydrophobicContact CB-CH2 4.12Å; L127-W139 HydrophobicContact CB-CZ2 3.79Å; L127-W139 HydrophobicContact CB-CZ3 4.44Å; L127-W139 HydrophobicContact CD1-CB 4.31Å; L127-W139 HydrophobicContact CD1-CD2 4.06Å; L127-W139 HydrophobicContact CD1-CG 3.87Å; T135-W139 PolarHBondContact O-N 3.46Å; L137-W139 VanDerWaalsContact C-N 3.32Å; L137-W139 PolarHBondContact O-N 3.38Å; W139-L143 PolarHBondContact O-N 3.29Å; W139-P418 HydrophobicContact CD2-CB 4.35Å; W139-P418 HydrophobicContact CD2-CG 3.49Å; W139-P418 VanDerWaalsContact CD2-CG 3.49Å; W139-P418 HydrophobicContact CE3-CG 3.76Å; W139-P418 HydrophobicContact CG-CG 4.14Å; W139-P418 HydrophobicContact CH2-CG 3.68Å; W139-P418 HydrophobicContact CZ2-CG 3.38Å; W139-P418 HydrophobicContact CZ3-CG 3.84Å; W139-M420 HydrophobicContact CE3-CG 3.58Å; W139-M420 HydrophobicContact CE3-SD 4.11Å; W139-M420 HydrophobicContact CZ3-CG 3.87Å; W139-H421 HydrophobicContact CH2-CB 4.32Å; W139-H421 AromaticContact CH2-CD2 3.76Å; W139-A532 HydrophobicContact CZ2-CB 4.11Å
140T94.2Very high90.6Very high64 Ų6452.1 Ų52.139%0.39326%0.261SS..Hα-helixtrans-67.6-42.8-176.8-56.80000111Q136 L137 C138 L143 E144Q136-T140 WeakPolarHBondContact O-CB 3.34Å; Q136-T140 PolarHBondContact O-N 3.06Å; Q136-T140 PolarHBondContact O-OG1 3.33Å; L137-T140 PolarHBondContact O-N 3Å; C138-T140 PolarHBondContact O-N 3.42Å; T140-L143 PolarHBondContact O-N 3.12Å; T140-E144 HydrophobicContact CG2-CG 4.44Å; T140-E144 WeakPolarHBondContact O-CB 3.48Å; T140-E144 WeakPolarHBondContact O-CG 3.46Å; T140-E144 PolarHBondContact O-N 3.39Å
141K94.4Very high89.4Confident65 Ų6552.6 Ų52.628%0.28327%0.265SS..Hα-helixtrans-65-43.3179.6-75.2-73.9161.9-146.40112.2Y118 L137 C138 L143 E144 E145Y118-K141 HydrophobicContact CD2-CB 4.28Å; Y118-K141 HydrophobicContact CD2-CD 4.46Å; Y118-K141 HydrophobicContact CD2-CG 4.03Å; Y118-K141 HydrophobicContact CE2-CD 4.5Å; Y118-K141 HydrophobicContact CE2-CG 4.41Å; Y118-K141 HydrophobicContact CG-CG 4.47Å; L137-K141 HydrophobicContact CD1-CG 3.82Å; L137-K141 HydrophobicContact CG-CG 4.11Å; L137-K141 VanDerWaalsContact O-CB 3.31Å; L137-K141 WeakPolarHBondContact O-CB 3.44Å; L137-K141 VanDerWaalsContact O-CG 3.3Å; L137-K141 WeakPolarHBondContact O-CG 3.46Å; L137-K141 PolarHBondContact O-N 3.14Å; C138-K141 PolarHBondContact O-N 3.21Å; K141-L143 PolarHBondContact O-N 2.85Å; K141-E144 IonicContact NZ-OE2 2.8Å; K141-E144 PolarHBondContact NZ-OE2 2.93Å; K141-E144 PolarHBondContact O-N 3.48Å; K141-E145 WeakPolarHBondContact O-CB 3.24Å; K141-E145 WeakPolarHBondContact O-CG 3.45Å; K141-E145 PolarHBondContact O-N 2.82Å
142D94.1Very high87.4Confident6 Ų646.6 Ų46.63%0.03224%0.243CC..Hα-helixtrans-60-46.9176.7-17557.8000111.5R109 C138 E144 E145 Q146 P418 M419R109-D142 IonicContact CZ-OD1 2.75Å; R109-D142 VanDerWaalsContact CZ-OD1 3.22Å; R109-D142 IonicContact NH1-OD1 2.65Å; R109-D142 PolarHBondContact NH1-OD1 3.36Å; R109-D142 IonicContact NH2-OD1 3.33Å; R109-D142 PolarHBondContact NH2-OD1 3.09Å; C138-D142 WeakPolarHBondContact O-CB 3.44Å; C138-D142 PolarHBondContact O-N 3.06Å; D142-E144 PolarHBondContact O-N 3.15Å; D142-E145 PolarHBondContact O-N 2.69Å; D142-Q146 WeakPolarHBondContact O-CB 3.32Å; D142-Q146 VanDerWaalsContact O-CG 3.27Å; D142-Q146 WeakPolarHBondContact O-CG 3.36Å; D142-Q146 PolarHBondContact O-N 3.24Å; D142-P418 HydrophobicContact CB-CB 4.41Å; D142-P418 WeakPolarHBondContact OD2-CA 3.42Å; D142-P418 WeakPolarHBondContact OD2-CB 3.13Å; D142-M419 PolarHBondContact OD2-N 3.09Å
143L92.1Very high84.8Confident14 Ų1445.4 Ų45.47%0.07324%0.239CC..Hα-helixtrans-65-38176.3-73.3179.7000113.1W139 T140 K141 R147 P418W139-L143 PolarHBondContact O-N 3.29Å; T140-L143 PolarHBondContact O-N 3.12Å; K141-L143 PolarHBondContact O-N 2.85Å; L143-R147 WeakPolarHBondContact O-CB 3.28Å; L143-R147 WeakPolarHBondContact O-CD 3.44Å; L143-R147 WeakPolarHBondContact O-CG 3.37Å; L143-R147 PolarHBondContact O-N 2.77Å; L143-P418 HydrophobicContact CD1-CG 4.46Å; L143-P418 HydrophobicContact CD2-CB 4.07Å; L143-P418 HydrophobicContact CD2-CG 4.35Å; L143-P418 HydrophobicContact CG-CB 4.01Å; L143-P418 HydrophobicContact CG-CG 4.28Å
144E91.4Very high81.9Confident97 Ų9744.4 Ų44.445%0.45324%0.24SC..Hα-helixtrans-61.1-47.5175.1-78.917717400111.2T140 K141 D142 A148T140-E144 HydrophobicContact CG2-CG 4.44Å; T140-E144 WeakPolarHBondContact O-CB 3.48Å; T140-E144 WeakPolarHBondContact O-CG 3.46Å; T140-E144 PolarHBondContact O-N 3.39Å; K141-E144 IonicContact NZ-OE2 2.8Å; K141-E144 PolarHBondContact NZ-OE2 2.93Å; K141-E144 PolarHBondContact O-N 3.48Å; D142-E144 PolarHBondContact O-N 3.15Å; E144-A148 VanDerWaalsContact O-CB 3.29Å; E144-A148 WeakPolarHBondContact O-CB 3.07Å; E144-A148 PolarHBondContact O-N 2.7Å
145E89.3Confident78.8Confident49 Ų4948 Ų4823%0.22927%0.267CS..Hα-helixtrans-63.9-49.5178.5-73.5174.2-169.100111.6R109 H117 K141 D142 R147 A148 L149R109-E145 IonicContact NH1-OE2 3.97Å; H117-E145 IonicContact ND1-OE2 2.71Å; K141-E145 WeakPolarHBondContact O-CB 3.24Å; K141-E145 WeakPolarHBondContact O-CG 3.45Å; K141-E145 PolarHBondContact O-N 2.82Å; D142-E145 PolarHBondContact O-N 2.69Å; E145-R147 PolarHBondContact O-N 2.87Å; E145-A148 WeakPolarHBondContact O-CB 3.24Å; E145-A148 PolarHBondContact O-N 2.9Å; E145-A148 VanDerWaalsContact O-N 3.17Å; E145-L149 WeakPolarHBondContact O-CG 3.34Å; E145-L149 PolarHBondContact O-N 2.83Å
146Q88.9Confident75.8Confident4 Ų455.9 Ų55.92%0.01931%0.308CS..Hα-helixtrans-61.4-44.5178.6-72-62.3-4600111.8D142 A148 L149 Y150 L414D142-Q146 WeakPolarHBondContact O-CB 3.32Å; D142-Q146 VanDerWaalsContact O-CG 3.27Å; D142-Q146 WeakPolarHBondContact O-CG 3.36Å; D142-Q146 PolarHBondContact O-N 3.24Å; Q146-A148 VanDerWaalsContact C-N 3.29Å; Q146-A148 PolarHBondContact O-N 2.86Å; Q146-L149 PolarHBondContact O-N 3.49Å; Q146-Y150 WeakPolarHBondContact O-CB 3.4Å; Q146-Y150 VanDerWaalsContact O-CD2 3.26Å; Q146-Y150 WeakPolarHBondContact O-CD2 3.38Å; Q146-Y150 PolarHBondContact O-N 3.45Å; Q146-L414 WeakPolarHBondContact CB-O 3.38Å; Q146-L414 WeakPolarHBondContact CG-O 3.25Å
147R86.7Confident72.7Confident85 Ų8560.7 Ų60.732%0.32133%0.33SS..Hα-helixtrans-69.1-26.8177-72.2172.6177.7156.81.1112.9L143 E145 S151 R415L143-R147 WeakPolarHBondContact O-CB 3.28Å; L143-R147 WeakPolarHBondContact O-CD 3.44Å; L143-R147 WeakPolarHBondContact O-CG 3.37Å; L143-R147 PolarHBondContact O-N 2.77Å; E145-R147 PolarHBondContact O-N 2.87Å; R147-S151 WeakPolarHBondContact O-CA 3.47Å; R147-S151 WeakPolarHBondContact O-CB 3.35Å; R147-S151 PolarHBondContact O-N 3.29Å; R147-S151 VanDerWaalsContact O-N 3.09Å; R147-R415 VanDerWaalsContact CG-O 3.28Å; R147-R415 WeakPolarHBondContact CG-O 3.03Å; R147-R415 PolarHBondContact NE-O 3.1Å
148A83Confident69.8Low56 Ų5666.3 Ų66.346%0.46335%0.354SS..Hα-helixtrans-70.5-40.6172.600000111.2E144 E145 Q146E144-A148 VanDerWaalsContact O-CB 3.29Å; E144-A148 WeakPolarHBondContact O-CB 3.07Å; E144-A148 PolarHBondContact O-N 2.7Å; E145-A148 WeakPolarHBondContact O-CB 3.24Å; E145-A148 PolarHBondContact O-N 2.9Å; E145-A148 VanDerWaalsContact O-N 3.17Å; Q146-A148 VanDerWaalsContact C-N 3.29Å; Q146-A148 PolarHBondContact O-N 2.86Å
149L80.6Confident66.6Low61 Ų6175.3 Ų75.332%0.31940%0.397SS..Hα-helixtrans-69.5-45.2176.9-69.7170.4000111.9E145 Q146 L178 P200E145-L149 WeakPolarHBondContact O-CG 3.34Å; E145-L149 PolarHBondContact O-N 2.83Å; Q146-L149 PolarHBondContact O-N 3.49Å; L149-L178 WeakPolarHBondContact O-CB 3.47Å; L149-L178 VanDerWaalsContact O-CD1 3.28Å; L149-L178 WeakPolarHBondContact O-CD1 3.5Å; L149-L178 WeakPolarHBondContact O-CG 3.38Å; L149-L178 PolarHBondContact O-N 2.89Å; L149-P200 HydrophobicContact CD2-CG 4.42Å
150Y79.9Confident63.5Low4 Ų484.9 Ų84.92%0.01644%0.438CS..THydrogen-bonded Turntrans-113.441.4-172.3-55.3-77.1000112.3Q146 L178 I191 P200 L414 R415 L435Q146-Y150 WeakPolarHBondContact O-CB 3.4Å; Q146-Y150 VanDerWaalsContact O-CD2 3.26Å; Q146-Y150 WeakPolarHBondContact O-CD2 3.38Å; Q146-Y150 PolarHBondContact O-N 3.45Å; Y150-L178 CarbonylContact C-O 3.4Å; Y150-L178 HydrophobicContact CD1-CD1 4.32Å; Y150-L178 HydrophobicContact CE1-CD1 4.43Å; Y150-I191 HydrophobicContact CD1-CD1 3.67Å; Y150-I191 HydrophobicContact CE1-CD1 4.03Å; Y150-P200 HydrophobicContact CE1-CG 3.95Å; Y150-L414 HydrophobicContact CD1-CD1 4.28Å; Y150-L414 HydrophobicContact CD2-CB 3.92Å; Y150-L414 HydrophobicContact CD2-CD1 4.3Å; Y150-L414 HydrophobicContact CE1-CD1 3.88Å; Y150-L414 HydrophobicContact CE2-CB 4.16Å; Y150-L414 HydrophobicContact CE2-CD1 3.92Å; Y150-L414 HydrophobicContact CE2-CG 4.44Å; Y150-L414 HydrophobicContact CG-CB 4.34Å; Y150-L414 HydrophobicContact CG-CD1 4.49Å; Y150-R415 WeakPolarHBondContact O-CD 3.15Å; Y150-R415 WeakPolarHBondContact O-CG 3.29Å; Y150-R415 PolarHBondContact O-NH1 3.34Å; Y150-L435 HydrophobicContact CD1-CD1 4.36Å; Y150-L435 HydrophobicContact CE1-CD1 3.79Å
151S62.3Low60.4Low17 Ų1785 Ų8512%0.11945%0.452CS..  trans-66.1-178-170.279.70000117.4R147 C177 L178 S179 W180 R415R147-S151 WeakPolarHBondContact O-CA 3.47Å; R147-S151 WeakPolarHBondContact O-CB 3.35Å; R147-S151 PolarHBondContact O-N 3.29Å; R147-S151 VanDerWaalsContact O-N 3.09Å; S151-C177 PolarHBondContact OG-SG 2.83Å; S151-L178 CarbonylContact C-O 3.58Å; S151-L178 WeakPolarHBondContact CA-O 3.4Å; S151-L178 PolarHBondContact N-O 3.01Å; S151-L178 PolarHBondContact OG-O 2.92Å; S151-S179 CarbonylContact O-C 3.54Å; S151-S179 VanDerWaalsContact O-C 3.29Å; S151-S179 WeakPolarHBondContact O-CA 3.4Å; S151-W180 PolarHBondContact O-N 3.49Å; S151-R415 PolarHBondContact O-NH1 3.02Å
152C45.9Very low57.5Low51 Ų5190.6 Ų90.635%0.34548%0.484SS..  trans-106.3160.9169.1-77.70000109.7S179 R415C152-S179 VanDerWaalsContact C-CB 3.48Å; C152-R415 PolarHBondContact SG-NH2 3.42Å
153L38Very low54.5Low63 Ų6398.3 Ų98.333%0.3352%0.524SS..SBendtrans-35150.3168.4-71.8157.8000114S155 S179 Q182L153-S155 PolarHBondContact O-N 3.46Å; L153-S155 VanDerWaalsContact O-N 3.14Å; L153-S179 VanDerWaalsContact N-CB 3.28Å; L153-Q182 HydrophobicContact CD1-CG 3.77Å; L153-Q182 HydrophobicContact CD2-CG 4.39Å
154P32.3Very low51.3Low113 Ų113104.8 Ų104.873%0.73456%0.559SS**  trans-57.8123.3176.124.1-31.1000109.6L156P154-L156 PolarHBondContact O-N 3.38Å
155S28.5Very low48.3Very low103 Ų103106 Ų10672%0.7257%0.574SS**  trans-54.8114.5173.955.10000109.9L153 H157L153-S155 PolarHBondContact O-N 3.46Å; L153-S155 VanDerWaalsContact O-N 3.14Å; S155-H157 PolarHBondContact O-N 2.88Å
156L30Very low45.4Very low169 Ų169111.4 Ų111.489%0.88560%0.604SS**  trans-69.377.5160.1-94.5154.6000108.5P154P154-L156 PolarHBondContact O-N 3.38Å
157H29.8Very low42.5Very low178 Ų178121.7 Ų121.782%0.82465%0.649SS**  trans-129.1117.2155.7-91.4-44.8000109.6S155 Q159S155-H157 PolarHBondContact O-N 2.88Å; H157-Q159 PolarHBondContact O-N 2.99Å
158H35.2Very low39.7Very low181 Ų181122.5 Ų122.584%0.83867%0.674SS**  trans-43.7118.8168.1-91.813.8000112
159Q26.2Very low37Very low190 Ų190129.3 Ų129.389%0.88869%0.693SS**  trans-142.2102.5138.2-105.3-179.53.600109H157 G161H157-Q159 PolarHBondContact O-N 2.99Å; Q159-G161 PolarHBondContact O-N 2.93Å
160K30.9Very low34.4Very low212 Ų212133 Ų13392%0.92272%0.719SS**  trans-63.9112.9159.9-80.5177.8174.1175.50107.2
161G27.8Very low31.9Very low66 Ų66138.4 Ų138.468%0.6876%0.756SS**  trans-151.7109.7172.400000110.1Q159Q159-G161 PolarHBondContact O-N 2.93Å
162L35.2Very low30.1Very low183 Ų183143.8 Ų143.896%0.95879%0.793SS**  trans-58.2126.3178.5-78129.4000112.2
163I30.3Very low29.2Very low168 Ų168148.8 Ų148.886%0.86282%0.815SS**  trans-134.2127.5155.9-58.4-178.2000109.5
164N25.5Very low28.8Very low151 Ų151154.1 Ų154.181%0.80784%0.836SS**  trans-55.2140.7-176.8-92-35.9000114.6L166N164-L166 PolarHBondContact O-N 2.97Å
165P28.6Very low28.7Very low121 Ų121154.3 Ų154.379%0.78684%0.84SS**  trans-95.880.5177.436.2-29.4000110.9
166L27.4Very low29Very low164 Ų164152.3 Ų152.386%0.85982%0.824SS**  trans-156.373.4170.3-99.6167.6000110.5N164N164-L166 PolarHBondContact O-N 2.97Å
167K27.2Very low29Very low220 Ų220147.9 Ų147.996%0.95781%0.806SS**  trans174.677.7153-98.2170.3-172.2-174.40109.3
168A28.1Very low29.8Very low102 Ų102139.6 Ų139.684%0.84377%0.767SS**  trans-136.694164.400000107.8
169K27Very low30.4Very low198 Ų198131.6 Ų131.686%0.86173%0.732SS**  trans-133.4128.9160.4-89.4-173.7175.3179.30107.8
170T26.1Very low31.3Very low140 Ų140122.8 Ų122.886%0.85969%0.691SS**SBendtrans76.8123.6168.638.80000120.1
171S27Very low32.3Very low116 Ų116116.1 Ų116.181%0.81167%0.665SS**  trans70.190.1159.169.70000121.7
172C26Very low33.4Very low130 Ų130119.4 Ų119.488%0.87866%0.663SS**  -164106.5128.5-108.50000108.2
173L27Very low34.2Very low156 Ų156112.5 Ų112.582%0.81763%0.629SS**  trans-82.6124.7173.3-85.5157.3000108.3
174F29Very low35.6Very low175 Ų175109.9 Ų109.977%0.76861%0.611SS**  trans57.885167-59.2-78.3000118V176F174-V176 VanDerWaalsContact C-N 3.35Å; F174-V176 HydrophobicContact CB-CG2 4.3Å; F174-V176 PolarHBondContact O-N 3.23Å
175S29.6Very low37.7Very low117 Ų117109.5 Ų109.582%0.81861%0.609SS**  trans-77.588.9149.71760000107.8C177S175-C177 PolarHBondContact O-N 3.48Å
176V34.8Very low40.1Very low62 Ų62105.2 Ų105.238%0.37659%0.587SS.*  trans-70.2115.4170.3-177.60000107.5F174 L178 S198F174-V176 VanDerWaalsContact C-N 3.35Å; F174-V176 HydrophobicContact CB-CG2 4.3Å; F174-V176 PolarHBondContact O-N 3.23Å; V176-L178 HydrophobicContact CG1-CD2 3.7Å; V176-L178 HydrophobicContact CG1-CG 4.12Å; V176-S198 WeakPolarHBondContact CG1-O 3.25Å
177C31.3Very low42.9Very low76 Ų7698.3 Ų98.351%0.51455%0.551SS.*  trans-103102.3179.2-160.50000107S151 S175 S179S151-C177 PolarHBondContact OG-SG 2.83Å; S175-C177 PolarHBondContact O-N 3.48Å; C177-S179 PolarHBondContact O-N 3.43Å
178L45.3Very low45.9Very low3 Ų388.2 Ų88.22%0.01651%0.508CS..  trans-85.8102.4-177.8-53.7159000107.5L149 Y150 S151 V176 I191 K192 A193 L199 P200L149-L178 WeakPolarHBondContact O-CB 3.47Å; L149-L178 VanDerWaalsContact O-CD1 3.28Å; L149-L178 WeakPolarHBondContact O-CD1 3.5Å; L149-L178 WeakPolarHBondContact O-CG 3.38Å; L149-L178 PolarHBondContact O-N 2.89Å; Y150-L178 CarbonylContact C-O 3.4Å; Y150-L178 HydrophobicContact CD1-CD1 4.32Å; Y150-L178 HydrophobicContact CE1-CD1 4.43Å; S151-L178 CarbonylContact C-O 3.58Å; S151-L178 WeakPolarHBondContact CA-O 3.4Å; S151-L178 PolarHBondContact N-O 3.01Å; S151-L178 PolarHBondContact OG-O 2.92Å; V176-L178 HydrophobicContact CG1-CD2 3.7Å; V176-L178 HydrophobicContact CG1-CG 4.12Å; L178-I191 HydrophobicContact CB-CD1 4.02Å; L178-I191 HydrophobicContact CB-CG1 3.81Å; L178-I191 HydrophobicContact CD1-CD1 3.74Å; L178-I191 HydrophobicContact CD1-CG1 4.38Å; L178-I191 HydrophobicContact CG-CD1 4.35Å; L178-I191 HydrophobicContact CG-CG1 4.49Å; L178-K192 WeakPolarHBondContact CA-O 3.4Å; L178-K192 WeakPolarHBondContact CB-O 3.24Å; L178-K192 WeakPolarHBondContact CD2-O 3.41Å; L178-A193 HydrophobicContact CD2-CB 3.99Å; L178-L199 HydrophobicContact CD1-CD2 4.4Å; L178-P200 VanDerWaalsContact CD1-CD 3.42Å; L178-P200 HydrophobicContact CD1-CG 3.7Å
179S47.5Very low48.9Very low14 Ų1486.2 Ų86.210%0.09848%0.479CS..PPolyproline II helixtrans-78.5168.317524.20000110.8S151 C152 L153 C177 D181 K192S151-S179 CarbonylContact O-C 3.54Å; S151-S179 VanDerWaalsContact O-C 3.29Å; S151-S179 WeakPolarHBondContact O-CA 3.4Å; C152-S179 VanDerWaalsContact C-CB 3.48Å; L153-S179 VanDerWaalsContact N-CB 3.28Å; C177-S179 PolarHBondContact O-N 3.43Å; S179-D181 PolarHBondContact O-N 2.77Å; S179-K192 WeakPolarHBondContact O-CA 3.4Å; S179-K192 WeakPolarHBondContact O-CB 3.4Å; S179-K192 PolarHBondContact O-N 3.23Å; S179-K192 WeakPolarHBondContact OG-CD 3.28Å
180W46.7Very low51.6Low4 Ų477.7 Ų77.72%0.01545%0.445CS..BIsolated β-bridgetrans-63.9131152.8-66.8101.1000108.8S151 Y189 S190 V411 Y543S151-W180 PolarHBondContact O-N 3.49Å; W180-Y189 HydrophobicContact CB-CD1 3.72Å; W180-Y189 HydrophobicContact CB-CG 4.43Å; W180-Y189 HydrophobicContact CE3-CG 4.45Å; W180-Y189 HydrophobicContact CG-CD1 4.34Å; W180-Y189 WeakPolarHBondContact CZ3-O 3.4Å; W180-S190 WeakPolarHBondContact CA-O 3.5Å; W180-V411 HydrophobicContact CD2-CG1 4.25Å; W180-V411 HydrophobicContact CE3-CG1 4.25Å; W180-V411 HydrophobicContact CH2-CB 3.67Å; W180-V411 HydrophobicContact CH2-CG1 3.54Å; W180-V411 HydrophobicContact CZ2-CB 4.06Å; W180-V411 HydrophobicContact CZ2-CG1 3.45Å; W180-V411 VanDerWaalsContact CZ2-CG1 3.45Å; W180-V411 HydrophobicContact CZ3-CB 4.08Å; W180-V411 HydrophobicContact CZ3-CG1 3.93Å; W180-V411 HydrophobicContact CZ3-CG2 4.46Å; W180-Y543 HydrophobicContact CD2-CG 4.31Å; W180-Y543 AromaticContact CE2-CD2 3.76Å; W180-Y543 AromaticContact CE2-CG 3.81Å; W180-Y543 AromaticContact CZ2-CD2 3.82Å; W180-Y543 HydrophobicContact CZ2-CD2 3.82Å; W180-Y543 AromaticContact CZ2-CG 3.98Å; W180-Y543 HydrophobicContact CZ2-CG 3.98Å; W180-Y543 AromaticContact NE1-CD2 3.62Å; W180-Y543 AromaticContact NE1-CE2 3.78Å; W180-Y543 AromaticContact NE1-CG 3.91Å
181D51.6Low54.4Low72 Ų7271.2 Ų71.239%0.38541%0.405SS..PPolyproline II helixtrans-70.9143.4173.1-158.613.5000109.5S179 Y189 S190 K192S179-D181 PolarHBondContact O-N 2.77Å; D181-Y189 VanDerWaalsContact O-CD1 3.26Å; D181-Y189 WeakPolarHBondContact O-CD1 3.45Å; D181-S190 PolarHBondContact N-O 3.28Å; D181-K192 HydrophobicContact CB-CB 3.95Å; D181-K192 HydrophobicContact CB-CG 4.16Å
182Q50.6Low56.5Low136 Ų13669.9 Ų69.964%0.63638%0.384SS*.PPolyproline II helixtrans-63.4133174-82.3-160.5-18.900108.3L153 K184L153-Q182 HydrophobicContact CD1-CG 3.77Å; L153-Q182 HydrophobicContact CD2-CG 4.39Å; Q182-K184 PolarHBondContact O-N 3.42Å
183P52.7Low58.6Low38 Ų3864.8 Ų64.825%0.24735%0.351CS..PPolyproline II helixtrans-60.1140.4-177.424-32.7000109.4D185 L187 Y189P183-D185 PolarHBondContact O-N 2.96Å; P183-D185 VanDerWaalsContact O-N 3.17Å; P183-L187 WeakPolarHBondContact CB-O 3.16Å; P183-Y189 HydrophobicContact CG-CE1 4.34Å; P183-Y189 HydrophobicContact CG-CE2 4.08Å
184K59.6Low60.7Low112 Ų11266.7 Ų66.749%0.48736%0.356SS..SBendtrans-59.4116.4147.5-72.5-174.7174.2-172.70104.9Q182 G186 L187 D448 F464Q182-K184 PolarHBondContact O-N 3.42Å; K184-G186 PolarHBondContact O-N 2.98Å; K184-L187 PolarHBondContact O-N 2.76Å; K184-D448 IonicContact NZ-OD1 3.6Å; K184-F464 HydrophobicContact CD-CD1 3.95Å; K184-F464 HydrophobicContact CD-CE1 3.55Å; K184-F464 HydrophobicContact CD-CE2 4.47Å; K184-F464 HydrophobicContact CD-CZ 3.86Å
185D67.9Low63Low143 Ų14359.9 Ų59.977%0.76533%0.33SS*.THydrogen-bonded Turntrans-27.8113.1-168.2-73.1-31.5000114P183 R468P183-D185 PolarHBondContact O-N 2.96Å; P183-D185 VanDerWaalsContact O-N 3.17Å; D185-R468 WeakPolarHBondContact O-CD 3.04Å; D185-R468 WeakPolarHBondContact O-CG 3.48Å
186G78.8Confident65.3Low32 Ų3257.7 Ų57.733%0.3331%0.305SS..THydrogen-bonded Turntrans9016.5172.500000117.4K184 L471K184-G186 PolarHBondContact O-N 2.98Å; G186-L471 WeakPolarHBondContact O-CD2 3.11Å
187L87.6Confident67.4Low18 Ų1859.2 Ų59.29%0.09432%0.318CS..SBendtrans-107.8159.2169.3-64.4-169.4000112.4P183 K184 F464 L467 R468 L546P183-L187 WeakPolarHBondContact CB-O 3.16Å; K184-L187 PolarHBondContact O-N 2.76Å; L187-F464 HydrophobicContact CD1-CD1 3.82Å; L187-F464 HydrophobicContact CD1-CE1 4.24Å; L187-L467 HydrophobicContact CD1-CD1 4.28Å; L187-L467 HydrophobicContact CD2-CB 3.39Å; L187-L467 HydrophobicContact CD2-CD1 4.46Å; L187-R468 HydrophobicContact CD2-CG 3.92Å; L187-R468 HydrophobicContact CG-CG 4.45Å; L187-L546 WeakPolarHBondContact O-CD2 3.5Å
188P89.7Confident69.9Low9 Ų956.5 Ų56.56%0.05830%0.3CS..  trans-58.2145.8171.5-19.634.4000110.3L400 V408 L471 G544P188-L400 HydrophobicContact CG-CD1 3.78Å; P188-V408 HydrophobicContact CB-CG2 3.95Å; P188-L471 HydrophobicContact CG-CD1 4.03Å; P188-L471 HydrophobicContact CG-CD2 4.03Å; P188-G544 WeakPolarHBondContact CB-O 3.44Å
189Y90.2Very high71.8Confident59 Ų5956.8 Ų56.823%0.23130%0.301CS..  trans-64.7148.9172.5-70.8-112.3000109.3W180 D181 P183 Y543 L546W180-Y189 HydrophobicContact CB-CD1 3.72Å; W180-Y189 HydrophobicContact CB-CG 4.43Å; W180-Y189 HydrophobicContact CE3-CG 4.45Å; W180-Y189 HydrophobicContact CG-CD1 4.34Å; W180-Y189 WeakPolarHBondContact CZ3-O 3.4Å; D181-Y189 VanDerWaalsContact O-CD1 3.26Å; D181-Y189 WeakPolarHBondContact O-CD1 3.45Å; P183-Y189 HydrophobicContact CG-CE1 4.34Å; P183-Y189 HydrophobicContact CG-CE2 4.08Å; Y189-Y543 HydrophobicContact CD1-CD1 4.16Å; Y189-Y543 HydrophobicContact CD2-CD1 4.03Å; Y189-Y543 VanDerWaalsContact CD2-O 3.26Å; Y189-Y543 WeakPolarHBondContact CD2-O 3.49Å; Y189-Y543 HydrophobicContact CE1-CD1 4.24Å; Y189-Y543 HydrophobicContact CE2-CD1 4.13Å; Y189-Y543 HydrophobicContact CG-CD1 4.03Å; Y189-Y543 PolarHBondContact N-O 3Å; Y189-L546 HydrophobicContact CD2-CD2 3.72Å; Y189-L546 HydrophobicContact CE2-CD2 3.62Å
190S85.6Confident73.6Confident19 Ų1957.1 Ų57.113%0.13330%0.303CS..  trans-129.6168.7177.760.70000110.7W180 D181 K192 E407W180-S190 WeakPolarHBondContact CA-O 3.5Å; D181-S190 PolarHBondContact N-O 3.28Å; S190-K192 PolarHBondContact O-N 3.12Å; S190-E407 WeakPolarHBondContact CB-OE1 3.37Å
191I83.5Confident75.4Confident5 Ų559.9 Ų59.93%0.02632%0.318CS..BIsolated β-bridgetrans-67.3127.5176-163.7168.5000110.4Y150 L178 A193 L199 E407 V411 L435Y150-I191 HydrophobicContact CD1-CD1 3.67Å; Y150-I191 HydrophobicContact CE1-CD1 4.03Å; L178-I191 HydrophobicContact CB-CD1 4.02Å; L178-I191 HydrophobicContact CB-CG1 3.81Å; L178-I191 HydrophobicContact CD1-CD1 3.74Å; L178-I191 HydrophobicContact CD1-CG1 4.38Å; L178-I191 HydrophobicContact CG-CD1 4.35Å; L178-I191 HydrophobicContact CG-CG1 4.49Å; I191-A193 PolarHBondContact O-N 3.38Å; I191-L199 HydrophobicContact CD1-CD2 3.88Å; I191-L199 HydrophobicContact CG2-CD2 4.19Å; I191-E407 VanDerWaalsContact CG2-OE1 3.31Å; I191-E407 WeakPolarHBondContact CG2-OE1 3.28Å; I191-E407 PolarHBondContact N-OE1 3.48Å; I191-V411 HydrophobicContact CB-CG2 4.22Å; I191-L435 HydrophobicContact CD1-CD1 3.97Å; I191-L435 HydrophobicContact CG2-CD2 4.49Å
192K71.3Confident77.1Confident88 Ų8859.2 Ų59.238%0.38331%0.314SS..  trans-80.1101.9173.2-166.8-173.2-168.5173.50108.9L178 S179 D181 S190L178-K192 WeakPolarHBondContact CA-O 3.4Å; L178-K192 WeakPolarHBondContact CB-O 3.24Å; L178-K192 WeakPolarHBondContact CD2-O 3.41Å; S179-K192 WeakPolarHBondContact O-CA 3.4Å; S179-K192 WeakPolarHBondContact O-CB 3.4Å; S179-K192 PolarHBondContact O-N 3.23Å; S179-K192 WeakPolarHBondContact OG-CD 3.28Å; D181-K192 HydrophobicContact CB-CB 3.95Å; D181-K192 HydrophobicContact CB-CG 4.16Å; S190-K192 PolarHBondContact O-N 3.12Å
193A71.4Confident78.9Confident22 Ų2253.1 Ų53.118%0.18229%0.287CS..  trans-121131.3170.900000108.1L178 I191 S195 S198 L199L178-A193 HydrophobicContact CD2-CB 3.99Å; I191-A193 PolarHBondContact O-N 3.38Å; A193-S195 PolarHBondContact O-N 3.49Å; A193-S198 WeakPolarHBondContact CA-OG 3.37Å; A193-S198 WeakPolarHBondContact CB-OG 3.39Å; A193-L199 HydrophobicContact CB-CD2 4.09Å; A193-L199 HydrophobicContact CB-CG 4.43Å
194E69.9Low80.5Confident197 Ų19752 Ų5292%0.92128%0.28SS*.SBendtrans-62.8-34.4175.7-67.8-176.3173.600111S198E194-S198 PolarHBondContact N-OG 2.91Å
195S77.8Confident81.9Confident32 Ų3247 Ų4722%0.22426%0.258CS..SBendtrans-150.7166.4174.1690000109.7A193 S197 S198 Q443A193-S195 PolarHBondContact O-N 3.49Å; S195-S197 PolarHBondContact O-N 3.42Å; S195-S197 VanDerWaalsContact O-N 3.14Å; S195-S197 PolarHBondContact OG-N 2.81Å; S195-S197 PolarHBondContact OG-OG 2.96Å; S195-S198 PolarHBondContact O-N 2.94Å; S195-S198 PolarHBondContact O-OG 3.15Å; S195-S198 PolarHBondContact OG-N 3.19Å; S195-Q443 VanDerWaalsContact C-NE2 3.31Å; S195-Q443 VanDerWaalsContact CA-NE2 3.26Å
196Y77.9Confident82.8Confident71 Ų7140.8 Ų40.828%0.27823%0.226SC..G310 helixtrans-60-23.5171.560.3-101.3000112.2S198 L199 W214 M436 L440Y196-S198 VanDerWaalsContact C-N 3.28Å; Y196-S198 PolarHBondContact O-N 3.39Å; Y196-L199 PolarHBondContact O-N 2.94Å; Y196-W214 HydrophobicContact CE1-CH2 4.29Å; Y196-W214 HydrophobicContact CE1-CZ2 4.29Å; Y196-W214 HydrophobicContact CE2-CZ2 4.14Å; Y196-W214 AromaticContact CZ-CZ2 3.77Å; Y196-M436 HydrophobicContact CD2-CE 3.68Å; Y196-M436 HydrophobicContact CG-CE 4.06Å; Y196-L440 HydrophobicContact CD1-CD2 3.44Å; Y196-L440 VanDerWaalsContact CD1-CD2 3.44Å; Y196-L440 HydrophobicContact CD1-CG 4.47Å; Y196-L440 HydrophobicContact CD2-CD2 4.38Å; Y196-L440 HydrophobicContact CE1-CD2 3.96Å; Y196-L440 HydrophobicContact CG-CD2 3.7Å; Y196-L440 HydrophobicContact CG-CG 4.4Å
197S79.3Confident82.9Confident94 Ų9442.1 Ų42.166%0.65723%0.226SC*.G310 helixtrans-78.3-10.317867.90000113.6S195 L199S195-S197 PolarHBondContact O-N 3.42Å; S195-S197 VanDerWaalsContact O-N 3.14Å; S195-S197 PolarHBondContact OG-N 2.81Å; S195-S197 PolarHBondContact OG-OG 2.96Å; S197-L199 VanDerWaalsContact C-N 3.34Å
198S82.1Confident82.7Confident19 Ų1946 Ų4613%0.13324%0.242CC..G310 helixtrans-86.9-5.1174.476.30000112.9V176 A193 E194 S195 Y196V176-S198 WeakPolarHBondContact CG1-O 3.25Å; A193-S198 WeakPolarHBondContact CA-OG 3.37Å; A193-S198 WeakPolarHBondContact CB-OG 3.39Å; E194-S198 PolarHBondContact N-OG 2.91Å; S195-S198 PolarHBondContact O-N 2.94Å; S195-S198 PolarHBondContact O-OG 3.15Å; S195-S198 PolarHBondContact OG-N 3.19Å; Y196-S198 VanDerWaalsContact C-N 3.28Å; Y196-S198 PolarHBondContact O-N 3.39Å
199L85.2Confident82.6Confident9 Ų945.8 Ų45.85%0.04724%0.24CC..SBendtrans-67.8149.1176.2-71.7175.9000111.5L178 I191 A193 Y196 S197 A203 L435 M436 C439L178-L199 HydrophobicContact CD1-CD2 4.4Å; I191-L199 HydrophobicContact CD1-CD2 3.88Å; I191-L199 HydrophobicContact CG2-CD2 4.19Å; A193-L199 HydrophobicContact CB-CD2 4.09Å; A193-L199 HydrophobicContact CB-CG 4.43Å; Y196-L199 PolarHBondContact O-N 2.94Å; S197-L199 VanDerWaalsContact C-N 3.34Å; L199-A203 HydrophobicContact CB-CB 4.45Å; L199-L435 HydrophobicContact CD1-CB 4.45Å; L199-M436 HydrophobicContact CD1-CB 4.18Å; L199-M436 HydrophobicContact CD1-SD 4.01Å; L199-C439 HydrophobicContact CD1-CB 4.01Å
200P85.6Confident82.4Confident20 Ų2045.6 Ų45.613%0.1324%0.241CC..  trans-60.4153.6173.8-21.936.9000110L149 Y150 L178 D202 A203 S204L149-P200 HydrophobicContact CD2-CG 4.42Å; Y150-P200 HydrophobicContact CE1-CG 3.95Å; L178-P200 VanDerWaalsContact CD1-CD 3.42Å; L178-P200 HydrophobicContact CD1-CG 3.7Å; P200-D202 PolarHBondContact O-N 3.49Å; P200-A203 PolarHBondContact O-N 3.27Å; P200-S204 PolarHBondContact O-N 3.15Å; P200-S204 VanDerWaalsContact O-N 3.15Å; P200-S204 PolarHBondContact O-OG 3.49Å
201L85.4Confident82.4Confident62 Ų6249.7 Ų49.733%0.32526%0.26SS..G310 helixtrans-61.5-31.2-179.6-69.1177.1000112.3S87 W110 T112 A203 S204S87-L201 VanDerWaalsContact CB-CD1 3.44Å; S87-L201 WeakPolarHBondContact OG-CD1 3.19Å; W110-L201 HydrophobicContact CB-CB 3.88Å; W110-L201 HydrophobicContact CB-CD1 4.29Å; W110-L201 VanDerWaalsContact CD1-CB 3.46Å; W110-L201 HydrophobicContact CD2-CB 4Å; W110-L201 HydrophobicContact CD2-CD1 4.04Å; W110-L201 HydrophobicContact CE3-CD1 4.11Å; W110-L201 HydrophobicContact CG-CB 3.5Å; W110-L201 HydrophobicContact CG-CD1 4.15Å; W110-L201 HydrophobicContact CG-CG 4.49Å; T112-L201 HydrophobicContact CG2-CD1 3.86Å; L201-A203 VanDerWaalsContact C-N 3.26Å; L201-A203 PolarHBondContact O-N 3.44Å; L201-S204 WeakPolarHBondContact O-CB 3.32Å; L201-S204 PolarHBondContact O-N 3.47Å
202D86.4Confident82.6Confident59 Ų5951.5 Ų51.532%0.31627%0.268SS..G310 helixtrans-66.2-27.2175.5-58.5-45.5000113.3R109 W110 P200R109-D202 WeakPolarHBondContact CA-OD1 3.41Å; R109-D202 WeakPolarHBondContact CG-OD1 3.29Å; R109-D202 WeakPolarHBondContact CG-OD2 3.5Å; W110-D202 PolarHBondContact N-OD1 3.28Å; P200-D202 PolarHBondContact O-N 3.49Å
203A88.2Confident83.3Confident8 Ų848.2 Ų48.27%0.06625%0.254CS..G310 helixtrans-93-8.8177.700000112.8L199 P200 L201 L435 M436L199-A203 HydrophobicContact CB-CB 4.45Å; P200-A203 PolarHBondContact O-N 3.27Å; L201-A203 VanDerWaalsContact C-N 3.26Å; L201-A203 PolarHBondContact O-N 3.44Å; A203-L435 HydrophobicContact CB-CB 4.26Å; A203-L435 HydrophobicContact CB-CD1 3.94Å; A203-M436 WeakPolarHBondContact O-CB 3.48Å
204S87.2Confident84Confident14 Ų1452.3 Ų52.310%0.09827%0.265CS..SBendtrans-83.4153.6-175-68.60000112.3P200 L201 Y433P200-S204 PolarHBondContact O-N 3.15Å; P200-S204 VanDerWaalsContact O-N 3.15Å; P200-S204 PolarHBondContact O-OG 3.49Å; L201-S204 WeakPolarHBondContact O-CB 3.32Å; L201-S204 PolarHBondContact O-N 3.47Å; S204-Y433 WeakPolarHBondContact O-CE1 3.43Å
205F89.6Confident84.8Confident7 Ų747.8 Ų47.83%0.03125%0.247CC..PPolyproline II helixtrans-56.1146.9165.3-73.4-27.3000112.4K209 K210 M213 Y433 M436 I437 L440F205-K209 HydrophobicContact CB-CB 4.06Å; F205-K209 HydrophobicContact CB-CG 3.92Å; F205-K209 HydrophobicContact CD1-CB 4.49Å; F205-K209 HydrophobicContact CD1-CG 3.53Å; F205-K209 HydrophobicContact CD2-CG 3.99Å; F205-K209 HydrophobicContact CE1-CG 3.94Å; F205-K209 HydrophobicContact CE2-CG 4.38Å; F205-K209 HydrophobicContact CG-CB 4.26Å; F205-K209 HydrophobicContact CG-CG 3.56Å; F205-K209 HydrophobicContact CZ-CG 4.37Å; F205-K210 HydrophobicContact CB-CD 4.36Å; F205-K210 HydrophobicContact CB-CG 3.52Å; F205-K210 HydrophobicContact CD2-CG 4.32Å; F205-K210 HydrophobicContact CG-CG 4.46Å; F205-K210 WeakPolarHBondContact O-CE 3.31Å; F205-K210 PolarHBondContact O-NZ 2.67Å; F205-M213 HydrophobicContact CE2-CB 4.44Å; F205-M213 HydrophobicContact CE2-CE 4.14Å; F205-M213 HydrophobicContact CE2-CG 4.19Å; F205-M213 HydrophobicContact CZ-CE 4.11Å; F205-Y433 AromaticContact CD1-CD1 3.76Å; F205-Y433 HydrophobicContact CD1-CD1 3.76Å; F205-Y433 AromaticContact CD1-CD2 3.75Å; F205-Y433 HydrophobicContact CD1-CD2 3.75Å; F205-Y433 HydrophobicContact CD1-CE1 4.24Å; F205-Y433 HydrophobicContact CD1-CE2 4.2Å; F205-Y433 AromaticContact CD1-CG 3.49Å; F205-Y433 HydrophobicContact CD1-CG 3.49Å; F205-Y433 VanDerWaalsContact CD1-CG 3.49Å; F205-Y433 HydrophobicContact CE1-CD2 4.02Å; F205-Y433 AromaticContact CE1-CG 3.85Å; F205-Y433 HydrophobicContact CE1-CG 3.85Å; F205-M436 HydrophobicContact CB-CG 4.29Å; F205-M436 HydrophobicContact CD1-CB 4.11Å; F205-M436 HydrophobicContact CD1-CG 3.77Å; F205-M436 HydrophobicContact CD2-CE 3.96Å; F205-M436 HydrophobicContact CD2-CG 3.63Å; F205-M436 HydrophobicContact CE1-CB 4.19Å; F205-M436 HydrophobicContact CE1-CG 3.97Å; F205-M436 HydrophobicContact CE2-CE 4.42Å; F205-M436 HydrophobicContact CE2-CG 3.8Å; F205-M436 HydrophobicContact CG-CB 4.4Å; F205-M436 HydrophobicContact CG-CG 3.59Å; F205-M436 HydrophobicContact CZ-CB 4.5Å; F205-M436 HydrophobicContact CZ-CG 3.96Å; F205-I437 HydrophobicContact CE1-CB 4.5Å; F205-I437 HydrophobicContact CZ-CB 4.14Å; F205-I437 HydrophobicContact CZ-CD1 4.05Å; F205-L440 HydrophobicContact CD2-CD1 4.29Å; F205-L440 HydrophobicContact CE2-CD1 3.45Å; F205-L440 VanDerWaalsContact CE2-CD1 3.45Å; F205-L440 HydrophobicContact CZ-CD1 4.1Å
206S85.7Confident85Confident13 Ų1347 Ų479%0.09124%0.241CC..PPolyproline II helixtrans-55.8157.1163.570.40000110.8K208 K209 K210 Y433 D641S206-K208 PolarHBondContact O-N 2.64Å; S206-K209 PolarHBondContact O-N 2.61Å; S206-K209 VanDerWaalsContact OG-CB 3.27Å; S206-K209 WeakPolarHBondContact OG-CB 3.44Å; S206-K209 PolarHBondContact OG-N 3.17Å; S206-K210 WeakPolarHBondContact O-CB 3.31Å; S206-K210 WeakPolarHBondContact O-CG 3.25Å; S206-K210 PolarHBondContact O-N 2.95Å; S206-Y433 WeakPolarHBondContact CB-OH 3.14Å; S206-Y433 PolarHBondContact N-OH 2.86Å; S206-Y433 VanDerWaalsContact N-OH 3.13Å; S206-Y433 PolarHBondContact OG-OH 3.21Å; S206-Y433 VanDerWaalsContact OG-OH 3.11Å; S206-D641 PolarHBondContact OG-OD2 2.91Å
207N80.8Confident85.2Confident60 Ų6047 Ų4732%0.32125%0.245SC..Hα-helixtrans-58.3-38.6174.8-72.2-20.9000111.4A14 K210 I211A14-N207 PolarHBondContact O-ND2 3.26Å; N207-K210 PolarHBondContact O-N 2.91Å; N207-I211 VanDerWaalsContact O-CG1 3.29Å; N207-I211 WeakPolarHBondContact O-CG1 3.39Å; N207-I211 PolarHBondContact O-N 3.07Å
208K83.6Confident85.3Confident98 Ų9845.5 Ų45.543%0.42624%0.244SC..Hα-helixtrans-59.8-55.4176-172.8179.8175.8-155.80111.3S206 K210 I211 E212 T640 D641S206-K208 PolarHBondContact O-N 2.64Å; K208-K210 VanDerWaalsContact C-N 3.32Å; K208-K210 PolarHBondContact O-N 3Å; K208-I211 PolarHBondContact O-N 2.58Å; K208-E212 WeakPolarHBondContact CE-OE1 3.32Å; K208-E212 WeakPolarHBondContact CG-OE1 3.43Å; K208-E212 WeakPolarHBondContact O-CG 3.35Å; K208-E212 PolarHBondContact O-N 2.91Å; K208-T640 WeakPolarHBondContact CE-OG1 3.45Å; K208-T640 PolarHBondContact NZ-O 2.63Å; K208-T640 PolarHBondContact NZ-OG1 3.4Å; K208-D641 HydrophobicContact CD-CB 4.28Å
209K88.3Confident85.4Confident5 Ų546.7 Ų46.72%0.02225%0.251CS..Hα-helixtrans-58.9-39.8176.1-179.374173.8-165.70112.2F205 S206 E212 M213 Y433 S639 D641 S700F205-K209 HydrophobicContact CB-CB 4.06Å; F205-K209 HydrophobicContact CB-CG 3.92Å; F205-K209 HydrophobicContact CD1-CB 4.49Å; F205-K209 HydrophobicContact CD1-CG 3.53Å; F205-K209 HydrophobicContact CD2-CG 3.99Å; F205-K209 HydrophobicContact CE1-CG 3.94Å; F205-K209 HydrophobicContact CE2-CG 4.38Å; F205-K209 HydrophobicContact CG-CB 4.26Å; F205-K209 HydrophobicContact CG-CG 3.56Å; F205-K209 HydrophobicContact CZ-CG 4.37Å; S206-K209 PolarHBondContact O-N 2.61Å; S206-K209 VanDerWaalsContact OG-CB 3.27Å; S206-K209 WeakPolarHBondContact OG-CB 3.44Å; S206-K209 PolarHBondContact OG-N 3.17Å; K209-E212 PolarHBondContact O-N 2.68Å; K209-M213 WeakPolarHBondContact O-CB 3.1Å; K209-M213 PolarHBondContact O-N 3.33Å; K209-Y433 HydrophobicContact CB-CE2 4.25Å; K209-Y433 HydrophobicContact CD-CE2 4.36Å; K209-Y433 HydrophobicContact CG-CD2 4.39Å; K209-Y433 HydrophobicContact CG-CE2 3.99Å; K209-S639 WeakPolarHBondContact CD-OG 3.34Å; K209-S639 VanDerWaalsContact NZ-CB 3.34Å; K209-D641 WeakPolarHBondContact CD-OD1 3.28Å; K209-S700 VanDerWaalsContact CE-O 3.27Å; K209-S700 WeakPolarHBondContact CE-O 3.16Å; K209-S700 PolarHBondContact NZ-O 2.87Å
210K86.4Confident85.4Confident56 Ų5646.6 Ų46.624%0.24325%0.252CS..Hα-helixtrans-59.5-51.1175.3-74.4174.3178160.40111.2F205 S206 N207 K208 M213 W214F205-K210 HydrophobicContact CB-CD 4.36Å; F205-K210 HydrophobicContact CB-CG 3.52Å; F205-K210 HydrophobicContact CD2-CG 4.32Å; F205-K210 HydrophobicContact CG-CG 4.46Å; F205-K210 WeakPolarHBondContact O-CE 3.31Å; F205-K210 PolarHBondContact O-NZ 2.67Å; S206-K210 WeakPolarHBondContact O-CB 3.31Å; S206-K210 WeakPolarHBondContact O-CG 3.25Å; S206-K210 PolarHBondContact O-N 2.95Å; N207-K210 PolarHBondContact O-N 2.91Å; K208-K210 VanDerWaalsContact C-N 3.32Å; K208-K210 PolarHBondContact O-N 3Å; K210-M213 PolarHBondContact O-N 3.2Å; K210-W214 PolarHBondContact O-N 2.9Å
211I85.8Confident85.3Confident105 Ų10548.2 Ų48.254%0.53826%0.259SS..Hα-helixtrans-60.7-47.7179.7-69.2165.3000110N207 K208 W214 L215N207-I211 VanDerWaalsContact O-CG1 3.29Å; N207-I211 WeakPolarHBondContact O-CG1 3.39Å; N207-I211 PolarHBondContact O-N 3.07Å; K208-I211 PolarHBondContact O-N 2.58Å; I211-W214 PolarHBondContact O-N 2.95Å; I211-L215 HydrophobicContact CG2-CD1 3.65Å; I211-L215 HydrophobicContact CG2-CG 4.25Å; I211-L215 VanDerWaalsContact O-CB 3.31Å; I211-L215 WeakPolarHBondContact O-CB 3.16Å; I211-L215 VanDerWaalsContact O-CG 3.24Å; I211-L215 WeakPolarHBondContact O-CG 3.41Å; I211-L215 PolarHBondContact O-N 3.37Å
212E86.9Confident85.3Confident43 Ų4349.5 Ų49.520%0.20127%0.269CS..Hα-helixtrans-62.8-42.5179.4-74.3176.9-162.900113.1K208 K209 L215 T216 S639 T640K208-E212 WeakPolarHBondContact CE-OE1 3.32Å; K208-E212 WeakPolarHBondContact CG-OE1 3.43Å; K208-E212 WeakPolarHBondContact O-CG 3.35Å; K208-E212 PolarHBondContact O-N 2.91Å; K209-E212 PolarHBondContact O-N 2.68Å; E212-L215 PolarHBondContact O-N 3.13Å; E212-T216 VanDerWaalsContact O-CB 3.31Å; E212-T216 WeakPolarHBondContact O-CB 3.45Å; E212-T216 PolarHBondContact O-N 3.18Å; E212-T216 PolarHBondContact O-OG1 2.91Å; E212-S639 PolarHBondContact OE2-OG 2.87Å; E212-T640 VanDerWaalsContact CD-OG1 3.27Å; E212-T640 PolarHBondContact OE1-OG1 2.85Å; E212-T640 PolarHBondContact OE2-N 3.26Å; E212-T640 PolarHBondContact OE2-OG1 2.94Å
213M86.7Confident85.2Confident19 Ų1949.9 Ų49.99%0.09427%0.269CS..Hα-helixtrans-61.4-50.6176.517860.17700110.8F205 K209 K210 L215 T216 I217 I437 L634F205-M213 HydrophobicContact CE2-CB 4.44Å; F205-M213 HydrophobicContact CE2-CE 4.14Å; F205-M213 HydrophobicContact CE2-CG 4.19Å; F205-M213 HydrophobicContact CZ-CE 4.11Å; K209-M213 WeakPolarHBondContact O-CB 3.1Å; K209-M213 PolarHBondContact O-N 3.33Å; K210-M213 PolarHBondContact O-N 3.2Å; M213-L215 PolarHBondContact O-N 3.35Å; M213-T216 PolarHBondContact O-N 2.67Å; M213-I217 HydrophobicContact CG-CD1 3.9Å; M213-I217 VanDerWaalsContact O-CG1 3.28Å; M213-I217 WeakPolarHBondContact O-CG1 3.32Å; M213-I217 PolarHBondContact O-N 3.4Å; M213-I217 HydrophobicContact SD-CD1 3.89Å; M213-I217 HydrophobicContact SD-CG1 4.2Å; M213-I437 HydrophobicContact CE-CD1 3.92Å; M213-L634 HydrophobicContact SD-CD1 4.19Å
214W86.1Confident85Confident107 Ų10749.5 Ų49.541%0.40527%0.266SS..Hα-helixtrans-67.9-36.4-179.8-68.7121.6000113.1Y196 K210 I211 I217 G218 L440 L444Y196-W214 HydrophobicContact CE1-CH2 4.29Å; Y196-W214 HydrophobicContact CE1-CZ2 4.29Å; Y196-W214 HydrophobicContact CE2-CZ2 4.14Å; Y196-W214 AromaticContact CZ-CZ2 3.77Å; K210-W214 PolarHBondContact O-N 2.9Å; I211-W214 PolarHBondContact O-N 2.95Å; W214-I217 HydrophobicContact CE3-CD1 3.86Å; W214-I217 HydrophobicContact CZ3-CD1 3.97Å; W214-G218 PolarHBondContact O-N 2.94Å; W214-L440 HydrophobicContact CH2-CD2 4.23Å; W214-L440 HydrophobicContact CZ2-CD2 4.31Å; W214-L444 HydrophobicContact CH2-CD1 4.1Å; W214-L444 HydrophobicContact CZ3-CD1 4.25Å
215L85.1Confident84.9Confident103 Ų10355.7 Ų55.754%0.53929%0.291SS..Hα-helixtrans-60.4-52171.5-76.5171.9000110I211 E212 M213 I217 G218 T219I211-L215 HydrophobicContact CG2-CD1 3.65Å; I211-L215 HydrophobicContact CG2-CG 4.25Å; I211-L215 VanDerWaalsContact O-CB 3.31Å; I211-L215 WeakPolarHBondContact O-CB 3.16Å; I211-L215 VanDerWaalsContact O-CG 3.24Å; I211-L215 WeakPolarHBondContact O-CG 3.41Å; I211-L215 PolarHBondContact O-N 3.37Å; E212-L215 PolarHBondContact O-N 3.13Å; M213-L215 PolarHBondContact O-N 3.35Å; L215-I217 PolarHBondContact O-N 2.92Å; L215-G218 CarbonylContact O-C 3.59Å; L215-G218 WeakPolarHBondContact O-CA 3.47Å; L215-G218 PolarHBondContact O-N 2.88Å; L215-T219 WeakPolarHBondContact O-CB 3.36Å; L215-T219 WeakPolarHBondContact O-CG2 3.3Å; L215-T219 PolarHBondContact O-N 3.47Å; L215-T219 PolarHBondContact O-OG1 3.48Å
216T82.4Confident84.7Confident16 Ų1655.3 Ų55.310%0.09829%0.289CS..Hα-helixtrans-59.2-44.2-180-59.50000111.8E212 M213 G218 T219 A220 L634 K637E212-T216 VanDerWaalsContact O-CB 3.31Å; E212-T216 WeakPolarHBondContact O-CB 3.45Å; E212-T216 PolarHBondContact O-N 3.18Å; E212-T216 PolarHBondContact O-OG1 2.91Å; M213-T216 PolarHBondContact O-N 2.67Å; T216-G218 VanDerWaalsContact C-N 3.3Å; T216-G218 PolarHBondContact O-N 3.09Å; T216-T219 PolarHBondContact O-N 3.4Å; T216-A220 WeakPolarHBondContact O-CA 3.4Å; T216-A220 WeakPolarHBondContact O-CB 3.45Å; T216-A220 PolarHBondContact O-N 3.41Å; T216-L634 HydrophobicContact CG2-CD1 3.47Å; T216-L634 VanDerWaalsContact CG2-CD1 3.47Å; T216-K637 HydrophobicContact CG2-CD 3.37Å; T216-K637 PolarHBondContact OG1-NZ 3.43Å
217I82.3Confident84.7Confident69 Ų6958.3 Ų58.335%0.35431%0.307SS..Hα-helixtrans-58.4-44.4174.4-70.2167.1000110.8M213 W214 L215 L634M213-I217 HydrophobicContact CG-CD1 3.9Å; M213-I217 VanDerWaalsContact O-CG1 3.28Å; M213-I217 WeakPolarHBondContact O-CG1 3.32Å; M213-I217 PolarHBondContact O-N 3.4Å; M213-I217 HydrophobicContact SD-CD1 3.89Å; M213-I217 HydrophobicContact SD-CG1 4.2Å; W214-I217 HydrophobicContact CE3-CD1 3.86Å; W214-I217 HydrophobicContact CZ3-CD1 3.97Å; L215-I217 PolarHBondContact O-N 2.92Å; I217-L634 HydrophobicContact CG1-CD1 3.82Å; I217-L634 HydrophobicContact CG1-CD2 3.8Å
218G81.1Confident84.8Confident63 Ų6363 Ų6365%0.64933%0.327SS*.Hα-helixtrans-73.3-25.5-179.500000114.5W214 L215 T216W214-G218 PolarHBondContact O-N 2.94Å; L215-G218 CarbonylContact O-C 3.59Å; L215-G218 WeakPolarHBondContact O-CA 3.47Å; L215-G218 PolarHBondContact O-N 2.88Å; T216-G218 VanDerWaalsContact C-N 3.3Å; T216-G218 PolarHBondContact O-N 3.09Å
219T84.1Confident84.7Confident44 Ų4461 Ų6127%0.2732%0.317SS..Hα-helixtrans-110.2-5.8-17461.70000114.4L215 T216 L221 V222 E223L215-T219 WeakPolarHBondContact O-CB 3.36Å; L215-T219 WeakPolarHBondContact O-CG2 3.3Å; L215-T219 PolarHBondContact O-N 3.47Å; L215-T219 PolarHBondContact O-OG1 3.48Å; T216-T219 PolarHBondContact O-N 3.4Å; T219-L221 VanDerWaalsContact C-N 3.31Å; T219-L221 PolarHBondContact O-N 3.45Å; T219-V222 CarbonylContact O-C 3.43Å; T219-V222 WeakPolarHBondContact O-CA 3.48Å; T219-V222 WeakPolarHBondContact O-CB 3.34Å; T219-V222 PolarHBondContact O-N 3.13Å; T219-E223 PolarHBondContact O-N 3.35Å; T219-E223 PolarHBondContact OG1-OE1 3.08Å
220A85Confident84.2Confident8 Ų862.7 Ų62.77%0.06633%0.327CS..Hα-helixtrans-49.5-49.4-175.100000112.8T216 V222 E223 L224T216-A220 WeakPolarHBondContact O-CA 3.4Å; T216-A220 WeakPolarHBondContact O-CB 3.45Å; T216-A220 PolarHBondContact O-N 3.41Å; A220-V222 VanDerWaalsContact C-N 3.3Å; A220-V222 PolarHBondContact O-N 2.82Å; A220-E223 PolarHBondContact O-N 3.18Å; A220-L224 WeakPolarHBondContact O-CB 3.35Å; A220-L224 VanDerWaalsContact O-CG 3.27Å; A220-L224 WeakPolarHBondContact O-CG 3.43Å; A220-L224 PolarHBondContact O-N 3.11Å
221L84.5Confident84Confident53 Ų5366.7 Ų66.728%0.27735%0.352SS..Hα-helixtrans-65.6-31.7177.5-69.9164.8000113.2T219 K225 L226 T227 V230 V626 A630T219-L221 VanDerWaalsContact C-N 3.31Å; T219-L221 PolarHBondContact O-N 3.45Å; L221-K225 PolarHBondContact O-N 2.95Å; L221-K225 VanDerWaalsContact O-N 3.09Å; L221-L226 HydrophobicContact CD2-CB 4.11Å; L221-L226 PolarHBondContact O-N 3.29Å; L221-T227 HydrophobicContact CB-CG2 4Å; L221-V230 HydrophobicContact CD1-CG2 3.56Å; L221-V230 HydrophobicContact CD2-CG2 3.84Å; L221-V230 HydrophobicContact CG-CG2 4.24Å; L221-V626 HydrophobicContact CD2-CG1 3.42Å; L221-V626 VanDerWaalsContact CD2-CG1 3.42Å; L221-A630 HydrophobicContact CD2-CB 3.83Å; L221-A630 HydrophobicContact CG-CB 4.26Å
222V85.6Confident83.8Confident89 Ų8965.6 Ų65.654%0.53934%0.344SS..Hα-helixtrans-72.7-45.3176.8178.20000110.5T219 A220 L224 K225 T227T219-V222 CarbonylContact O-C 3.43Å; T219-V222 WeakPolarHBondContact O-CA 3.48Å; T219-V222 WeakPolarHBondContact O-CB 3.34Å; T219-V222 PolarHBondContact O-N 3.13Å; A220-V222 VanDerWaalsContact C-N 3.3Å; A220-V222 PolarHBondContact O-N 2.82Å; V222-L224 VanDerWaalsContact C-N 3.28Å; V222-L224 PolarHBondContact O-N 3.46Å; V222-K225 WeakPolarHBondContact O-CA 3.48Å; V222-K225 PolarHBondContact O-N 2.91Å; V222-T227 HydrophobicContact CB-CG2 4.45Å; V222-T227 HydrophobicContact CG2-CG2 3.65Å
223E84.2Confident83.7Confident67 Ų6769.9 Ų69.931%0.31336%0.362SS..Hα-helixtrans-60.6-39.8176.9-71.8178.5-172.800111.5T219 A220 K225 W633 K637T219-E223 PolarHBondContact O-N 3.35Å; T219-E223 PolarHBondContact OG1-OE1 3.08Å; A220-E223 PolarHBondContact O-N 3.18Å; E223-K225 VanDerWaalsContact C-N 3.26Å; E223-K225 PolarHBondContact O-N 3.02Å; E223-W633 PolarHBondContact OE2-NE1 3.27Å; E223-K637 IonicContact OE1-NZ 2.69Å; E223-K637 PolarHBondContact OE1-NZ 3.19Å; E223-K637 IonicContact OE2-NZ 3.06Å; E223-K637 PolarHBondContact OE2-NZ 2.72Å
224L83.8Confident83.7Confident0 Ų075 Ų750%039%0.387CS..THydrogen-bonded Turntrans-79.1-5.5174.1-64.1179.2000113.3A220 V222 L226 C248 H249 Y586 A630 W633A220-L224 WeakPolarHBondContact O-CB 3.35Å; A220-L224 VanDerWaalsContact O-CG 3.27Å; A220-L224 WeakPolarHBondContact O-CG 3.43Å; A220-L224 PolarHBondContact O-N 3.11Å; V222-L224 VanDerWaalsContact C-N 3.28Å; V222-L224 PolarHBondContact O-N 3.46Å; L224-L226 VanDerWaalsContact C-N 3.25Å; L224-L226 HydrophobicContact CB-CB 4.42Å; L224-L226 HydrophobicContact CB-CD1 3.84Å; L224-L226 HydrophobicContact CB-CG 3.76Å; L224-L226 HydrophobicContact CD1-CD1 4.06Å; L224-L226 WeakPolarHBondContact O-CG 3.28Å; L224-L226 PolarHBondContact O-N 3.26Å; L224-C248 WeakPolarHBondContact O-CB 3.24Å; L224-H249 HydrophobicContact CD2-CB 3.7Å; L224-Y586 HydrophobicContact CD1-CE2 4.39Å; L224-Y586 HydrophobicContact CD2-CE2 3.75Å; L224-Y586 WeakPolarHBondContact CD2-OH 3.3Å; L224-A630 HydrophobicContact CD1-CB 4.28Å; L224-W633 HydrophobicContact CD1-CB 3.84Å; L224-W633 HydrophobicContact CD1-CG 4.07Å; L224-W633 HydrophobicContact CD2-CB 4.28Å; L224-W633 HydrophobicContact CD2-CD2 3.89Å; L224-W633 HydrophobicContact CD2-CE3 4.22Å; L224-W633 HydrophobicContact CD2-CG 3.9Å; L224-W633 HydrophobicContact CG-CB 4.37Å; L224-W633 HydrophobicContact CG-CG 4.07Å
225K86Confident84Confident144 Ų14472.8 Ų72.863%0.62638%0.38SS*.THydrogen-bonded Turntrans52.640.1-174.5-50.2171.9-176.7166.30113.2L221 V222 E223 C248L221-K225 PolarHBondContact O-N 2.95Å; L221-K225 VanDerWaalsContact O-N 3.09Å; V222-K225 WeakPolarHBondContact O-CA 3.48Å; V222-K225 PolarHBondContact O-N 2.91Å; E223-K225 VanDerWaalsContact C-N 3.26Å; E223-K225 PolarHBondContact O-N 3.02Å; K225-C248 HydrophobicContact CB-CB 4.11Å
226L85.1Confident84.4Confident0 Ų068.5 Ų68.50%036%0.357CS..  trans-109.63.9-177.7-61.3-177.7000113.9L221 L224 E228 W229 L245 C248 V626 M629L221-L226 HydrophobicContact CD2-CB 4.11Å; L221-L226 PolarHBondContact O-N 3.29Å; L224-L226 VanDerWaalsContact C-N 3.25Å; L224-L226 HydrophobicContact CB-CB 4.42Å; L224-L226 HydrophobicContact CB-CD1 3.84Å; L224-L226 HydrophobicContact CB-CG 3.76Å; L224-L226 HydrophobicContact CD1-CD1 4.06Å; L224-L226 WeakPolarHBondContact O-CG 3.28Å; L224-L226 PolarHBondContact O-N 3.26Å; L226-E228 PolarHBondContact O-N 3.38Å; L226-W229 WeakPolarHBondContact O-CB 2.99Å; L226-W229 PolarHBondContact O-N 3.5Å; L226-L245 HydrophobicContact CD2-CB 4.38Å; L226-L245 HydrophobicContact CD2-CD2 3.62Å; L226-C248 HydrophobicContact CD2-CB 4.12Å; L226-V626 HydrophobicContact CB-CG1 3.75Å; L226-V626 HydrophobicContact CB-CG2 4.38Å; L226-V626 HydrophobicContact CD1-CB 4.44Å; L226-V626 HydrophobicContact CD1-CG1 4.05Å; L226-V626 HydrophobicContact CD1-CG2 4.21Å; L226-V626 HydrophobicContact CG-CG1 4.5Å; L226-M629 HydrophobicContact CD1-CB 4.27Å; L226-M629 HydrophobicContact CD1-CE 4.08Å; L226-M629 HydrophobicContact CD1-SD 4.22Å
227T84.2Confident84.7Confident76 Ų7672.9 Ų72.947%0.46638%0.384SS..G310 helixtrans-54.7-37.8-176.647.70000113.8L221 V222 W229L221-T227 HydrophobicContact CB-CG2 4Å; V222-T227 HydrophobicContact CB-CG2 4.45Å; V222-T227 HydrophobicContact CG2-CG2 3.65Å; T227-W229 PolarHBondContact O-N 3.2Å
228E83.3Confident85Confident157 Ų15772 Ų7273%0.73438%0.38SS*.G310 helixtrans-67.5-23.4179.4-64.4-176.7171.300112.2L226 H232L226-E228 PolarHBondContact O-N 3.38Å; E228-H232 PolarHBondContact O-CE1 3.21Å; E228-H232 PolarHBondContact O-ND1 3.3Å
229W81.4Confident85.4Confident57 Ų5770.2 Ų70.222%0.21636%0.355CS..G310 helixtrans-92.1-10.3-171.9-62.881.9000114.3L226 T227 D231 H232 W236 R244 L245 V626L226-W229 WeakPolarHBondContact O-CB 2.99Å; L226-W229 PolarHBondContact O-N 3.5Å; T227-W229 PolarHBondContact O-N 3.2Å; W229-D231 VanDerWaalsContact C-N 3.31Å; W229-D231 PolarHBondContact O-N 3.43Å; W229-H232 WeakPolarHBondContact O-CB 3.27Å; W229-H232 PolarHBondContact O-N 2.79Å; W229-H232 VanDerWaalsContact O-N 3.1Å; W229-W236 HydrophobicContact CE3-CH2 4.45Å; W229-W236 HydrophobicContact CZ3-CH2 4.09Å; W229-W236 HydrophobicContact CZ3-CZ3 4.04Å; W229-R244 HydrophobicContact CH2-CB 4.4Å; W229-R244 HydrophobicContact CZ2-CB 4.27Å; W229-L245 HydrophobicContact CB-CD2 4.35Å; W229-L245 HydrophobicContact CD2-CD2 3.54Å; W229-L245 HydrophobicContact CE3-CD2 3.83Å; W229-L245 HydrophobicContact CG-CD2 3.79Å; W229-L245 HydrophobicContact CZ2-CD2 4.35Å; W229-L245 HydrophobicContact CZ3-CD2 4.33Å; W229-V626 HydrophobicContact CB-CG2 3.6Å; W229-V626 HydrophobicContact CG-CG2 4.47Å
230V78.7Confident85.4Confident40 Ų4072.4 Ų72.424%0.24236%0.362CS..THydrogen-bonded Turntrans-60.4-39-172.2177.70000112.7L221 D623 V626L221-V230 HydrophobicContact CD1-CG2 3.56Å; L221-V230 HydrophobicContact CD2-CG2 3.84Å; L221-V230 HydrophobicContact CG-CG2 4.24Å; V230-D623 VanDerWaalsContact O-CB 3.31Å; V230-D623 WeakPolarHBondContact O-CB 2.91Å; V230-V626 HydrophobicContact CG2-CG1 4.21Å
231D81Confident85.5Confident141 Ų14173.4 Ų73.475%0.75437%0.366SS*.THydrogen-bonded Turntrans-95.42.6-179.1-64-43.1000113W229 K233W229-D231 VanDerWaalsContact C-N 3.31Å; W229-D231 PolarHBondContact O-N 3.43Å; D231-K233 PolarHBondContact O-N 2.94Å
232H82.6Confident85.6Confident81 Ų8171 Ų7138%0.37535%0.354SS..  trans-83.197.7179.9-74.774.7000110.3E228 W229 M234 S622 D623E228-H232 PolarHBondContact O-CE1 3.21Å; E228-H232 PolarHBondContact O-ND1 3.3Å; W229-H232 WeakPolarHBondContact O-CB 3.27Å; W229-H232 PolarHBondContact O-N 2.79Å; W229-H232 VanDerWaalsContact O-N 3.1Å; H232-M234 PolarHBondContact O-N 3.46Å; H232-M234 VanDerWaalsContact O-N 3.12Å; H232-S622 PolarHBondContact O-OG 3.35Å; H232-D623 PolarHBondContact O-N 2.98Å; H232-D623 VanDerWaalsContact O-N 3.09Å
233K84.6Confident85.6Confident134 Ų13470.3 Ų70.358%0.58334%0.342SS*.  trans-86.547.4175.1-54.6-162.4176.8-166.10112.6D231 D331 D623D231-K233 PolarHBondContact O-N 2.94Å; K233-D331 IonicContact NZ-OD2 3.48Å; K233-D331 PolarHBondContact NZ-OD2 2.97Å; K233-D623 HydrophobicContact CG-CB 4.48Å
234M87.6Confident85.6Confident125 Ų12573.8 Ų73.862%0.61635%0.352SS*.PPolyproline II helixtrans-98.4147.1-175.7-67.1-167.3176.100111.6H232 S621 S622H232-M234 PolarHBondContact O-N 3.46Å; H232-M234 VanDerWaalsContact O-N 3.12Å; M234-S621 WeakPolarHBondContact O-CA 3.46Å; M234-S621 WeakPolarHBondContact O-CB 3.5Å; M234-S622 PolarHBondContact N-OG 2.75Å; M234-S622 PolarHBondContact O-N 2.92Å; M234-S622 PolarHBondContact O-OG 3.13Å
235K92.4Very high85.5Confident61 Ų6173.9 Ų73.927%0.26535%0.352SS..PPolyproline II helixtrans-82.3146.7167.1-79.9-72-179.7173.30110.5E600 D617 L619K235-E600 WeakPolarHBondContact CE-OE2 3.5Å; K235-E600 IonicContact NZ-OE1 2.7Å; K235-E600 IonicContact NZ-OE2 3.34Å; K235-E600 PolarHBondContact NZ-OE2 3.47Å; K235-D617 PolarHBondContact NZ-O 3.24Å; K235-L619 PolarHBondContact NZ-O 3.5Å
236W91.9Very high85.2Confident14 Ų1467.1 Ų67.15%0.05332%0.323CS..PPolyproline II helixtrans-69.5129.8174.4-55.8111.3000110.1W229 D241 I242 L245 L616 P620 T625W229-W236 HydrophobicContact CE3-CH2 4.45Å; W229-W236 HydrophobicContact CZ3-CH2 4.09Å; W229-W236 HydrophobicContact CZ3-CZ3 4.04Å; W236-D241 HydrophobicContact CE3-CB 3.96Å; W236-D241 HydrophobicContact CZ3-CB 4.27Å; W236-I242 HydrophobicContact CB-CD1 4.18Å; W236-I242 HydrophobicContact CB-CG1 4.02Å; W236-I242 HydrophobicContact CD2-CB 4.47Å; W236-I242 HydrophobicContact CD2-CD1 4.26Å; W236-I242 HydrophobicContact CD2-CG1 3.43Å; W236-I242 VanDerWaalsContact CD2-CG1 3.43Å; W236-I242 HydrophobicContact CE3-CB 4.43Å; W236-I242 HydrophobicContact CE3-CG1 3.68Å; W236-I242 HydrophobicContact CG-CD1 3.9Å; W236-I242 HydrophobicContact CG-CG1 3.56Å; W236-I242 HydrophobicContact CZ2-CG1 4.46Å; W236-I242 HydrophobicContact CZ3-CG1 4.32Å; W236-L245 HydrophobicContact CH2-CD1 3.37Å; W236-L245 HydrophobicContact CH2-CD2 4.42Å; W236-L245 HydrophobicContact CH2-CG 3.78Å; W236-L245 HydrophobicContact CZ2-CD1 3.53Å; W236-L245 HydrophobicContact CZ2-CG 4.42Å; W236-L616 HydrophobicContact CB-CD2 3.92Å; W236-P620 VanDerWaalsContact CD1-O 3.23Å; W236-P620 PolarHBondContact NE1-O 3.24Å; W236-T625 HydrophobicContact CZ2-CG2 4.33Å
237T89.2Confident84.9Confident108 Ų10870 Ų7066%0.66334%0.342SS*.SBendtrans-94.3-20.8179.370.50000112.8D241 L616T237-D241 PolarHBondContact OG1-OD2 3.06Å; T237-L616 WeakPolarHBondContact O-CD1 3.5Å
238N89.7Confident84.5Confident50 Ų5067.6 Ų67.627%0.26733%0.329SS..SBendtrans-156.7161.6174.558.575.3000108.8E240 D241N238-E240 PolarHBondContact O-N 3.36Å; N238-E240 WeakPolarHBondContact OD1-CA 3.49Å; N238-E240 VanDerWaalsContact OD1-CB 3.27Å; N238-E240 WeakPolarHBondContact OD1-CB 3.4Å; N238-E240 PolarHBondContact OD1-N 3.44Å; N238-E240 VanDerWaalsContact OD1-N 3.09Å; N238-D241 PolarHBondContact ND2-OD2 3.03Å; N238-D241 PolarHBondContact O-N 2.81Å; N238-D241 PolarHBondContact OD1-N 3.37Å
239I88.3Confident84.6Confident26 Ų2662.5 Ų62.513%0.13330%0.304CS..Hα-helixtrans-65.1-29.4179.4-64.7171.4000111.9D241 I242 R243 W261 W376 W591 L616I239-D241 VanDerWaalsContact C-N 3.29Å; I239-D241 PolarHBondContact O-N 3.34Å; I239-I242 WeakPolarHBondContact O-CB 3.38Å; I239-I242 PolarHBondContact O-N 3.48Å; I239-I242 VanDerWaalsContact O-N 3.12Å; I239-R243 PolarHBondContact O-N 3.29Å; I239-W261 HydrophobicContact CD1-CZ2 4.31Å; I239-W376 HydrophobicContact CD1-CH2 4.34Å; I239-W376 HydrophobicContact CD1-CZ3 4.46Å; I239-W591 HydrophobicContact CG2-CH2 4.33Å; I239-W591 HydrophobicContact CG2-CZ2 4.2Å; I239-L616 HydrophobicContact CG1-CD2 4.03Å
240E85.1Confident84.9Confident90 Ų9064.2 Ų64.242%0.42131%0.311SS..Hα-helixtrans-66.8-28.2-178.8179.460.6-162.900112.6N238 I242 R243N238-E240 PolarHBondContact O-N 3.36Å; N238-E240 WeakPolarHBondContact OD1-CA 3.49Å; N238-E240 VanDerWaalsContact OD1-CB 3.27Å; N238-E240 WeakPolarHBondContact OD1-CB 3.4Å; N238-E240 PolarHBondContact OD1-N 3.44Å; N238-E240 VanDerWaalsContact OD1-N 3.09Å; E240-I242 VanDerWaalsContact C-N 3.33Å; E240-R243 VanDerWaalsContact O-CB 3.23Å; E240-R243 WeakPolarHBondContact O-CB 3.45Å; E240-R243 PolarHBondContact O-N 2.95Å; E240-R243 IonicContact OE1-CZ 3.19Å; E240-R243 IonicContact OE1-NE 3.22Å; E240-R243 PolarHBondContact OE1-NE 2.9Å; E240-R243 IonicContact OE1-NH2 2.89Å; E240-R243 PolarHBondContact OE1-NH2 3.33Å; E240-R243 WeakPolarHBondContact OE2-CD 3.34Å; E240-R243 IonicContact OE2-NE 2.59Å; E240-R243 PolarHBondContact OE2-NE 2.84Å
241D85.5Confident85.4Confident28 Ų2864.2 Ų64.215%0.1531%0.311CS..Hα-helixtrans-68.2-33.9172.8-71.2-29.1000112W236 T237 N238 I239 R243 R244W236-D241 HydrophobicContact CE3-CB 3.96Å; W236-D241 HydrophobicContact CZ3-CB 4.27Å; T237-D241 PolarHBondContact OG1-OD2 3.06Å; N238-D241 PolarHBondContact ND2-OD2 3.03Å; N238-D241 PolarHBondContact O-N 2.81Å; N238-D241 PolarHBondContact OD1-N 3.37Å; I239-D241 VanDerWaalsContact C-N 3.29Å; I239-D241 PolarHBondContact O-N 3.34Å; D241-R243 VanDerWaalsContact C-N 3.27Å; D241-R243 PolarHBondContact O-N 3.48Å; D241-R244 WeakPolarHBondContact O-CB 3.44Å; D241-R244 WeakPolarHBondContact O-CG 3.32Å; D241-R244 PolarHBondContact O-N 3.09Å; D241-R244 IonicContact OD1-CZ 2.65Å; D241-R244 IonicContact OD1-NE 3.99Å; D241-R244 PolarHBondContact OD1-NE 2.69Å; D241-R244 IonicContact OD1-NH2 3.63Å; D241-R244 PolarHBondContact OD1-NH2 2.95Å
242I88.2Confident86Confident2 Ų265.9 Ų65.91%0.0132%0.315CS..Hα-helixtrans-65.4-36.3174.1-52172.8000109.8W236 I239 E240 R244 L245 W591 M592 P593 L616 L619W236-I242 HydrophobicContact CB-CD1 4.18Å; W236-I242 HydrophobicContact CB-CG1 4.02Å; W236-I242 HydrophobicContact CD2-CB 4.47Å; W236-I242 HydrophobicContact CD2-CD1 4.26Å; W236-I242 HydrophobicContact CD2-CG1 3.43Å; W236-I242 VanDerWaalsContact CD2-CG1 3.43Å; W236-I242 HydrophobicContact CE3-CB 4.43Å; W236-I242 HydrophobicContact CE3-CG1 3.68Å; W236-I242 HydrophobicContact CG-CD1 3.9Å; W236-I242 HydrophobicContact CG-CG1 3.56Å; W236-I242 HydrophobicContact CZ2-CG1 4.46Å; W236-I242 HydrophobicContact CZ3-CG1 4.32Å; I239-I242 WeakPolarHBondContact O-CB 3.38Å; I239-I242 PolarHBondContact O-N 3.48Å; I239-I242 VanDerWaalsContact O-N 3.12Å; E240-I242 VanDerWaalsContact C-N 3.33Å; I242-R244 PolarHBondContact O-N 2.88Å; I242-R244 VanDerWaalsContact O-N 3.08Å; I242-L245 WeakPolarHBondContact O-CB 3.39Å; I242-L245 PolarHBondContact O-N 2.85Å; I242-W591 HydrophobicContact CB-CH2 4.01Å; I242-W591 HydrophobicContact CB-CZ3 4.15Å; I242-W591 HydrophobicContact CG2-CE3 4.36Å; I242-W591 HydrophobicContact CG2-CH2 3.87Å; I242-W591 HydrophobicContact CG2-CZ3 3.64Å; I242-M592 HydrophobicContact CD1-CE 4.05Å; I242-M592 HydrophobicContact CG2-CE 4.33Å; I242-P593 HydrophobicContact CD1-CG 3.99Å; I242-P593 HydrophobicContact CG2-CG 4.17Å; I242-L616 HydrophobicContact CD1-CD2 4.2Å; I242-L619 HydrophobicContact CD1-CD1 4.08Å
243R85.4Confident86.6Confident76 Ų7662.9 Ų62.929%0.28730%0.301SS..Hα-helixtrans-55.7-29.2177.9-165.8-177.170.392.5-1112.3I239 E240 D241 L245 H246 C247 Y258I239-R243 PolarHBondContact O-N 3.29Å; E240-R243 VanDerWaalsContact O-CB 3.23Å; E240-R243 WeakPolarHBondContact O-CB 3.45Å; E240-R243 PolarHBondContact O-N 2.95Å; E240-R243 IonicContact OE1-CZ 3.19Å; E240-R243 IonicContact OE1-NE 3.22Å; E240-R243 PolarHBondContact OE1-NE 2.9Å; E240-R243 IonicContact OE1-NH2 2.89Å; E240-R243 PolarHBondContact OE1-NH2 3.33Å; E240-R243 WeakPolarHBondContact OE2-CD 3.34Å; E240-R243 IonicContact OE2-NE 2.59Å; E240-R243 PolarHBondContact OE2-NE 2.84Å; D241-R243 VanDerWaalsContact C-N 3.27Å; D241-R243 PolarHBondContact O-N 3.48Å; R243-L245 VanDerWaalsContact C-N 3.28Å; R243-L245 PolarHBondContact O-N 2.98Å; R243-H246 CarbonylContact O-C 3.57Å; R243-H246 PolarHBondContact O-N 3.48Å; R243-H246 VanDerWaalsContact O-N 3.13Å; R243-C247 PolarHBondContact NH1-SG 3.35Å; R243-C247 VanDerWaalsContact NH1-SG 3.42Å; R243-C247 PolarHBondContact O-N 3.01Å; R243-C247 PolarHBondContact O-SG 2.97Å; R243-Y258 HydrophobicContact CB-CE2 4.38Å; R243-Y258 WeakPolarHBondContact CD-OH 2.95Å; R243-Y258 HydrophobicContact CG-CE2 3.88Å
244R84.4Confident87Confident139 Ų13956.6 Ų56.653%0.52527%0.274SS..Hα-helixtrans-60.3-37.3177.8-58.1-176.6-166.1-176.410.7112.3W229 D241 I242 C247 C248W229-R244 HydrophobicContact CH2-CB 4.4Å; W229-R244 HydrophobicContact CZ2-CB 4.27Å; D241-R244 WeakPolarHBondContact O-CB 3.44Å; D241-R244 WeakPolarHBondContact O-CG 3.32Å; D241-R244 PolarHBondContact O-N 3.09Å; D241-R244 IonicContact OD1-CZ 2.65Å; D241-R244 IonicContact OD1-NE 3.99Å; D241-R244 PolarHBondContact OD1-NE 2.69Å; D241-R244 IonicContact OD1-NH2 3.63Å; D241-R244 PolarHBondContact OD1-NH2 2.95Å; I242-R244 PolarHBondContact O-N 2.88Å; I242-R244 VanDerWaalsContact O-N 3.08Å; R244-C247 WeakPolarHBondContact O-CB 3.23Å; R244-C247 PolarHBondContact O-N 3.43Å; R244-C248 PolarHBondContact O-SG 3.42Å
245L81.6Confident87.4Confident3 Ų352.6 Ų52.62%0.01625%0.254CS..Hα-helixtrans-65.7-43.5174.8-61.3-178.1000111.2L226 W229 W236 I242 R243 C247 C248 T625 V626 M629L226-L245 HydrophobicContact CD2-CB 4.38Å; L226-L245 HydrophobicContact CD2-CD2 3.62Å; W229-L245 HydrophobicContact CB-CD2 4.35Å; W229-L245 HydrophobicContact CD2-CD2 3.54Å; W229-L245 HydrophobicContact CE3-CD2 3.83Å; W229-L245 HydrophobicContact CG-CD2 3.79Å; W229-L245 HydrophobicContact CZ2-CD2 4.35Å; W229-L245 HydrophobicContact CZ3-CD2 4.33Å; W236-L245 HydrophobicContact CH2-CD1 3.37Å; W236-L245 HydrophobicContact CH2-CD2 4.42Å; W236-L245 HydrophobicContact CH2-CG 3.78Å; W236-L245 HydrophobicContact CZ2-CD1 3.53Å; W236-L245 HydrophobicContact CZ2-CG 4.42Å; I242-L245 WeakPolarHBondContact O-CB 3.39Å; I242-L245 PolarHBondContact O-N 2.85Å; R243-L245 VanDerWaalsContact C-N 3.28Å; R243-L245 PolarHBondContact O-N 2.98Å; L245-C247 VanDerWaalsContact C-N 3.34Å; L245-C247 PolarHBondContact O-N 3.19Å; L245-C248 VanDerWaalsContact O-CB 3.27Å; L245-C248 WeakPolarHBondContact O-CB 3.18Å; L245-C248 PolarHBondContact O-N 3.27Å; L245-C248 VanDerWaalsContact O-N 3.11Å; L245-T625 HydrophobicContact CD1-CG2 3.62Å; L245-V626 HydrophobicContact CD1-CG2 4.21Å; L245-V626 HydrophobicContact CD2-CG2 3.95Å; L245-M629 HydrophobicContact CB-CE 4.32Å; L245-M629 HydrophobicContact CB-SD 4.14Å; L245-M629 HydrophobicContact CD1-SD 4.18Å
246H78.6Confident87.6Confident2 Ų251.7 Ų51.71%0.00925%0.249CC..Hα-helixtrans-66.4-33.5177.1-179-83.4000112.3R243 C248 H249 R250 S254 E255 W591R243-H246 CarbonylContact O-C 3.57Å; R243-H246 PolarHBondContact O-N 3.48Å; R243-H246 VanDerWaalsContact O-N 3.13Å; H246-C248 PolarHBondContact O-N 2.92Å; H246-H249 CarbonylContact O-C 3.58Å; H246-H249 PolarHBondContact O-N 2.96Å; H246-R250 PolarHBondContact CE1-NE 3.34Å; H246-R250 PolarHBondContact ND1-NE 3.28Å; H246-R250 WeakPolarHBondContact O-CG 3.46Å; H246-R250 PolarHBondContact O-NE 2.96Å; H246-R250 VanDerWaalsContact O-NE 3.14Å; H246-S254 PolarHBondContact NE2-O 2.99Å; H246-E255 IonicContact CE1-OE2 3.58Å; H246-E255 PolarHBondContact CE1-OE2 2.79Å; H246-W591 HydrophobicContact CB-CE3 3.85Å; H246-W591 HydrophobicContact CB-CZ3 3.98Å
247C79.2Confident87.8Confident59 Ų5951 Ų5140%0.39925%0.246SC..Hα-helixtrans-59.1-24.3171.1-67.70000113.7R243 R244 L245 R250R243-C247 PolarHBondContact NH1-SG 3.35Å; R243-C247 VanDerWaalsContact NH1-SG 3.42Å; R243-C247 PolarHBondContact O-N 3.01Å; R243-C247 PolarHBondContact O-SG 2.97Å; R244-C247 WeakPolarHBondContact O-CB 3.23Å; R244-C247 PolarHBondContact O-N 3.43Å; L245-C247 VanDerWaalsContact C-N 3.34Å; L245-C247 PolarHBondContact O-N 3.19Å; C247-R250 PolarHBondContact SG-NH2 3.05Å
248C76.5Confident88.1Confident27 Ų2748.6 Ų48.618%0.18223%0.225CC..Hα-helixtrans-72.2-34.7-175.2-65.30000112.7L224 K225 L226 R244 L245 H246L224-C248 WeakPolarHBondContact O-CB 3.24Å; K225-C248 HydrophobicContact CB-CB 4.11Å; L226-C248 HydrophobicContact CD2-CB 4.12Å; R244-C248 PolarHBondContact O-SG 3.42Å; L245-C248 VanDerWaalsContact O-CB 3.27Å; L245-C248 WeakPolarHBondContact O-CB 3.18Å; L245-C248 PolarHBondContact O-N 3.27Å; L245-C248 VanDerWaalsContact O-N 3.11Å; H246-C248 PolarHBondContact O-N 2.92Å
249H84.1Confident88.4Confident49 Ų4951.8 Ų51.823%0.22724%0.239CC..SBendtrans-154.8131.8178.8-165.796.9000110.8L224 H246 Y586 W633L224-H249 HydrophobicContact CD2-CB 3.7Å; H246-H249 CarbonylContact O-C 3.58Å; H246-H249 PolarHBondContact O-N 2.96Å; H249-Y586 WeakPolarHBondContact CB-OH 3.26Å; H249-Y586 AromaticContact CD2-CE1 3.61Å; H249-Y586 AromaticContact CD2-CZ 3.82Å; H249-Y586 PolarHBondContact O-OH 3.08Å; H249-W633 AromaticContact CD2-CZ3 3.87Å; H249-W633 AromaticContact CE1-CH2 3.51Å; H249-W633 AromaticContact CE1-CZ3 3.95Å; H249-W633 AromaticContact NE2-CH2 3.25Å; H249-W633 VanDerWaalsContact NE2-CH2 3.25Å; H249-W633 WeakPolarHBondContact NE2-CH2 3.26Å; H249-W633 AromaticContact NE2-CZ3 3.25Å; H249-W633 VanDerWaalsContact NE2-CZ3 3.25Å; H249-W633 WeakPolarHBondContact NE2-CZ3 3.21Å
250R87.4Confident88.9Confident93 Ų9351.4 Ų51.435%0.35124%0.237SC..  trans-142.1142.7-173.9-58.4180177.7-167.6-1.5111.5H246 C247 S254 E255H246-R250 PolarHBondContact CE1-NE 3.34Å; H246-R250 PolarHBondContact ND1-NE 3.28Å; H246-R250 WeakPolarHBondContact O-CG 3.46Å; H246-R250 PolarHBondContact O-NE 2.96Å; H246-R250 VanDerWaalsContact O-NE 3.14Å; C247-R250 PolarHBondContact SG-NH2 3.05Å; R250-S254 WeakPolarHBondContact CA-OG 3.43Å; R250-E255 WeakPolarHBondContact CD-OE2 3.46Å; R250-E255 IonicContact CZ-OE2 2.91Å; R250-E255 IonicContact NE-OE2 2.77Å; R250-E255 IonicContact NH1-OE1 3.71Å; R250-E255 IonicContact NH1-OE2 2.6Å; R250-E255 PolarHBondContact NH1-OE2 2.77Å
251T90.9Very high89.4Confident41 Ų4148.1 Ų48.125%0.25222%0.221SC..  trans-105.1168160.870.10000109I253 S254 E255 Y586 D587T251-I253 VanDerWaalsContact C-N 3.27Å; T251-I253 PolarHBondContact O-N 3.47Å; T251-S254 PolarHBondContact N-OG 3.43Å; T251-S254 PolarHBondContact O-N 2.96Å; T251-S254 PolarHBondContact O-OG 3.15Å; T251-S254 WeakPolarHBondContact OG1-CB 3.47Å; T251-S254 PolarHBondContact OG1-N 3.04Å; T251-E255 PolarHBondContact O-N 2.94Å; T251-Y586 HydrophobicContact CG2-CD1 4.18Å; T251-D587 VanDerWaalsContact CB-OD1 3.32Å; T251-D587 WeakPolarHBondContact CB-OD1 3.27Å; T251-D587 WeakPolarHBondContact CG2-OD1 3.15Å; T251-D587 PolarHBondContact OG1-OD1 2.89Å
252E92.3Very high90Very high176 Ų17650.5 Ų50.582%0.82223%0.23SC*.Hα-helixtrans-58.8-42.5174.1-174.9175.2-177.600111.2E255 Y256E252-E255 PolarHBondContact O-N 2.83Å; E252-Y256 PolarHBondContact O-N 3.06Å; E252-Y256 VanDerWaalsContact O-N 3.14Å
253I95Very high90.5Very high18 Ų1854.6 Ų54.69%0.09225%0.249CC..Hα-helixtrans-70.6-40.5178.6-59.6178.7000110.8T251 E255 Y256 V257 D587 F588 L685 Y689T251-I253 VanDerWaalsContact C-N 3.27Å; T251-I253 PolarHBondContact O-N 3.47Å; I253-E255 VanDerWaalsContact C-N 3.28Å; I253-E255 PolarHBondContact O-N 3.1Å; I253-Y256 WeakPolarHBondContact O-CB 3.46Å; I253-Y256 PolarHBondContact O-N 3.21Å; I253-Y256 VanDerWaalsContact O-N 3.14Å; I253-V257 HydrophobicContact CG2-CG2 4.26Å; I253-V257 VanDerWaalsContact O-CG2 3.24Å; I253-V257 WeakPolarHBondContact O-CG2 3.37Å; I253-V257 PolarHBondContact O-N 3.04Å; I253-D587 HydrophobicContact CB-CB 3.9Å; I253-D587 HydrophobicContact CG2-CB 3.64Å; I253-F588 HydrophobicContact CG2-CE2 4.19Å; I253-F588 HydrophobicContact CG2-CZ 4.16Å; I253-L685 HydrophobicContact CB-CD1 4.31Å; I253-L685 HydrophobicContact CG1-CD1 3.95Å; I253-L685 HydrophobicContact CG2-CD1 4.12Å; I253-Y689 HydrophobicContact CD1-CE1 4.47Å; I253-Y689 VanDerWaalsContact CD1-OH 3.31Å; I253-Y689 WeakPolarHBondContact CD1-OH 3.48Å
254S94.5Very high91.1Very high1 Ų152.6 Ų52.61%0.00724%0.244CC..Hα-helixtrans-66.8-30.2179.486.20000112.6H246 R250 T251 Y258 D587H246-S254 PolarHBondContact NE2-O 2.99Å; R250-S254 WeakPolarHBondContact CA-OG 3.43Å; T251-S254 PolarHBondContact N-OG 3.43Å; T251-S254 PolarHBondContact O-N 2.96Å; T251-S254 PolarHBondContact O-OG 3.15Å; T251-S254 WeakPolarHBondContact OG1-CB 3.47Å; T251-S254 PolarHBondContact OG1-N 3.04Å; S254-Y258 WeakPolarHBondContact O-CB 3.34Å; S254-Y258 PolarHBondContact O-N 3.15Å; S254-Y258 VanDerWaalsContact O-N 3.08Å; S254-D587 VanDerWaalsContact CA-O 3.32Å; S254-D587 WeakPolarHBondContact CA-O 3.48Å; S254-D587 WeakPolarHBondContact CB-O 3.25Å
255E95Very high91.7Very high42 Ų4247.3 Ų47.320%0.19623%0.228CC..Hα-helixtrans-67.9-45.1170.3-178.464.9-149.300111.1H246 R250 T251 E252 I253 V257 Y258 Q259H246-E255 IonicContact CE1-OE2 3.58Å; H246-E255 PolarHBondContact CE1-OE2 2.79Å; R250-E255 WeakPolarHBondContact CD-OE2 3.46Å; R250-E255 IonicContact CZ-OE2 2.91Å; R250-E255 IonicContact NE-OE2 2.77Å; R250-E255 IonicContact NH1-OE1 3.71Å; R250-E255 IonicContact NH1-OE2 2.6Å; R250-E255 PolarHBondContact NH1-OE2 2.77Å; T251-E255 PolarHBondContact O-N 2.94Å; E252-E255 PolarHBondContact O-N 2.83Å; I253-E255 VanDerWaalsContact C-N 3.28Å; I253-E255 PolarHBondContact O-N 3.1Å; E255-V257 VanDerWaalsContact C-N 3.32Å; E255-V257 PolarHBondContact O-N 2.83Å; E255-Y258 WeakPolarHBondContact O-CB 3.47Å; E255-Y258 PolarHBondContact O-N 3.41Å; E255-Q259 WeakPolarHBondContact O-CG 3.41Å; E255-Q259 PolarHBondContact O-N 3.32Å; E255-Q259 PolarHBondContact OE1-NE2 3.48Å
256Y96.8Very high92.5Very high41 Ų4147.5 Ų47.516%0.16123%0.229CC..Hα-helixtrans-59.8-43.2175.5-172.3-84.9000112E252 I253 Y258 Q259 N260 F266 E684 L685E252-Y256 PolarHBondContact O-N 3.06Å; E252-Y256 VanDerWaalsContact O-N 3.14Å; I253-Y256 WeakPolarHBondContact O-CB 3.46Å; I253-Y256 PolarHBondContact O-N 3.21Å; I253-Y256 VanDerWaalsContact O-N 3.14Å; Y256-Y258 PolarHBondContact O-N 3.46Å; Y256-Q259 PolarHBondContact O-N 3.24Å; Y256-N260 HydrophobicContact CD1-CB 4.41Å; Y256-N260 HydrophobicContact CE1-CB 4.07Å; Y256-N260 WeakPolarHBondContact CE1-ND2 3.49Å; Y256-N260 WeakPolarHBondContact CE2-ND2 3.15Å; Y256-N260 WeakPolarHBondContact O-CB 3.38Å; Y256-N260 PolarHBondContact O-N 3.35Å; Y256-N260 PolarHBondContact O-ND2 2.92Å; Y256-F266 HydrophobicContact CD1-CD2 4.36Å; Y256-F266 AromaticContact CD1-CE2 3.89Å; Y256-F266 HydrophobicContact CD1-CE2 3.89Å; Y256-F266 HydrophobicContact CD1-CZ 4.23Å; Y256-F266 AromaticContact CE1-CD2 3.74Å; Y256-F266 HydrophobicContact CE1-CD2 3.74Å; Y256-F266 AromaticContact CE1-CE2 3.69Å; Y256-F266 HydrophobicContact CE1-CE2 3.69Å; Y256-F266 HydrophobicContact CE1-CZ 4.41Å; Y256-E684 HydrophobicContact CE2-CG 3.71Å; Y256-L685 HydrophobicContact CD1-CB 4.48Å; Y256-L685 HydrophobicContact CD1-CD1 3.88Å; Y256-L685 HydrophobicContact CD1-CD2 3.73Å; Y256-L685 HydrophobicContact CD1-CG 4.25Å; Y256-L685 HydrophobicContact CD2-CD1 4.32Å; Y256-L685 HydrophobicContact CE1-CB 4.32Å; Y256-L685 HydrophobicContact CE1-CD2 3.88Å; Y256-L685 HydrophobicContact CE1-CG 4.49Å; Y256-L685 HydrophobicContact CG-CD1 3.75Å; Y256-L685 HydrophobicContact CG-CD2 4.45Å
257V97Very high93.5Very high0 Ų047.6 Ų47.60%023%0.229CC..Hα-helixtrans-58.5-47.5175.11710000110.4I253 E255 Q259 N260 W261 F266 F588 W591 N594I253-V257 HydrophobicContact CG2-CG2 4.26Å; I253-V257 VanDerWaalsContact O-CG2 3.24Å; I253-V257 WeakPolarHBondContact O-CG2 3.37Å; I253-V257 PolarHBondContact O-N 3.04Å; E255-V257 VanDerWaalsContact C-N 3.32Å; E255-V257 PolarHBondContact O-N 2.83Å; V257-Q259 VanDerWaalsContact C-N 3.27Å; V257-Q259 PolarHBondContact O-N 3.01Å; V257-N260 PolarHBondContact O-N 3.44Å; V257-W261 VanDerWaalsContact O-CB 3.32Å; V257-W261 WeakPolarHBondContact O-CB 3.37Å; V257-W261 PolarHBondContact O-N 3.19Å; V257-F266 HydrophobicContact CB-CE1 4.31Å; V257-F266 HydrophobicContact CB-CZ 4.33Å; V257-F266 HydrophobicContact CG1-CE1 4.29Å; V257-F266 HydrophobicContact CG2-CE1 4.1Å; V257-F266 HydrophobicContact CG2-CZ 3.69Å; V257-F588 HydrophobicContact CG2-CD1 3.78Å; V257-F588 HydrophobicContact CG2-CE1 4.08Å; V257-F588 HydrophobicContact CG2-CG 4.41Å; V257-W591 HydrophobicContact CG1-CB 3.99Å; V257-W591 HydrophobicContact CG1-CG 4.43Å; V257-N594 HydrophobicContact CG1-CB 3.58Å
258Y95.4Very high94.4Very high57 Ų5744.8 Ų44.822%0.22421%0.21CC..Hα-helixtrans-58.1-39177.1162.2-102.5000112.5R243 S254 E255 Y256 W261 W591R243-Y258 HydrophobicContact CB-CE2 4.38Å; R243-Y258 WeakPolarHBondContact CD-OH 2.95Å; R243-Y258 HydrophobicContact CG-CE2 3.88Å; S254-Y258 WeakPolarHBondContact O-CB 3.34Å; S254-Y258 PolarHBondContact O-N 3.15Å; S254-Y258 VanDerWaalsContact O-N 3.08Å; E255-Y258 WeakPolarHBondContact O-CB 3.47Å; E255-Y258 PolarHBondContact O-N 3.41Å; Y256-Y258 PolarHBondContact O-N 3.46Å; Y258-W261 VanDerWaalsContact O-CD1 3.22Å; Y258-W591 AromaticContact CD2-CD2 3.91Å; Y258-W591 HydrophobicContact CD2-CD2 3.91Å; Y258-W591 AromaticContact CD2-CE2 3.67Å; Y258-W591 AromaticContact CD2-CE3 3.98Å; Y258-W591 HydrophobicContact CD2-CE3 3.98Å; Y258-W591 AromaticContact CD2-CH2 3.63Å; Y258-W591 HydrophobicContact CD2-CH2 3.63Å; Y258-W591 AromaticContact CD2-CZ2 3.54Å; Y258-W591 HydrophobicContact CD2-CZ2 3.54Å; Y258-W591 AromaticContact CD2-CZ3 3.85Å; Y258-W591 HydrophobicContact CD2-CZ3 3.85Å; Y258-W591 AromaticContact CE2-CH2 3.75Å; Y258-W591 HydrophobicContact CE2-CH2 3.75Å; Y258-W591 AromaticContact CE2-CZ2 3.85Å; Y258-W591 HydrophobicContact CE2-CZ2 3.85Å; Y258-W591 HydrophobicContact CE2-CZ3 4.25Å
259Q95.9Very high95.4Very high118 Ų11845.7 Ų45.755%0.55121%0.21SC*.Hα-helixtrans-73.2-32.4-179.8-68.2175.25.800112.6E255 Y256 V257E255-Q259 WeakPolarHBondContact O-CG 3.41Å; E255-Q259 PolarHBondContact O-N 3.32Å; E255-Q259 PolarHBondContact OE1-NE2 3.48Å; Y256-Q259 PolarHBondContact O-N 3.24Å; V257-Q259 VanDerWaalsContact C-N 3.27Å; V257-Q259 PolarHBondContact O-N 3.01Å
260N97.8Very high96.1Very high18 Ų1843.5 Ų43.510%0.09620%0.2CC..Hα-helixtrans-116.9-2.2-166-61.7-75.8000115.4Y256 V257 K262 E263 F266Y256-N260 HydrophobicContact CD1-CB 4.41Å; Y256-N260 HydrophobicContact CE1-CB 4.07Å; Y256-N260 WeakPolarHBondContact CE1-ND2 3.49Å; Y256-N260 WeakPolarHBondContact CE2-ND2 3.15Å; Y256-N260 WeakPolarHBondContact O-CB 3.38Å; Y256-N260 PolarHBondContact O-N 3.35Å; Y256-N260 PolarHBondContact O-ND2 2.92Å; V257-N260 PolarHBondContact O-N 3.44Å; N260-K262 PolarHBondContact O-N 2.89Å; N260-E263 HydrophobicContact CB-CG 4.49Å; N260-E263 WeakPolarHBondContact O-CB 3.3Å; N260-E263 PolarHBondContact O-N 3.48Å; N260-E263 PolarHBondContact OD1-OE1 3.32Å; N260-F266 HydrophobicContact CB-CB 4.07Å; N260-F266 HydrophobicContact CB-CD1 3.98Å; N260-F266 HydrophobicContact CB-CG 3.93Å; N260-F266 WeakPolarHBondContact O-CD1 3.36Å
261W96.9Very high96.6Very high21 Ų2139.1 Ų39.18%0.0818%0.183CC..THydrogen-bonded Turntrans-57-24.6-174.574.1-75.7000115.3I239 V257 Y258 L379 W591 P593 N594 L615I239-W261 HydrophobicContact CD1-CZ2 4.31Å; V257-W261 VanDerWaalsContact O-CB 3.32Å; V257-W261 WeakPolarHBondContact O-CB 3.37Å; V257-W261 PolarHBondContact O-N 3.19Å; Y258-W261 VanDerWaalsContact O-CD1 3.22Å; W261-L379 HydrophobicContact CE3-CD1 4.19Å; W261-L379 HydrophobicContact CH2-CD1 4.13Å; W261-L379 HydrophobicContact CH2-CD2 3.8Å; W261-L379 HydrophobicContact CH2-CG 4.24Å; W261-L379 HydrophobicContact CZ3-CD1 3.64Å; W261-L379 HydrophobicContact CZ3-CD2 4.17Å; W261-L379 HydrophobicContact CZ3-CG 4.11Å; W261-W591 AromaticContact CD1-CD1 3.93Å; W261-W591 AromaticContact CD1-NE1 3.16Å; W261-W591 AromaticContact CD2-NE1 3.75Å; W261-W591 AromaticContact CE2-NE1 3.77Å; W261-W591 AromaticContact CG-CD1 3.87Å; W261-W591 AromaticContact CG-NE1 3.37Å; W261-W591 AromaticContact NE1-NE1 3.37Å; W261-P593 HydrophobicContact CD2-CB 4.06Å; W261-P593 HydrophobicContact CE3-CB 3.89Å; W261-P593 HydrophobicContact CH2-CB 3.71Å; W261-P593 HydrophobicContact CZ2-CB 3.9Å; W261-P593 HydrophobicContact CZ3-CB 3.71Å; W261-N594 HydrophobicContact CB-CB 3.86Å; W261-L615 HydrophobicContact CH2-CD2 4.32Å
262K97.4Very high97Very high78 Ų7837.5 Ų37.534%0.33917%0.173SC..THydrogen-bonded Turntrans-79.5-18.8176.2-68-168.2174.6-168.50113.2N260 E375 L379 K382N260-K262 PolarHBondContact O-N 2.89Å; K262-E375 IonicContact NZ-OE1 3.6Å; K262-L379 HydrophobicContact CD-CD2 4.2Å; K262-L379 HydrophobicContact CG-CD1 4.17Å; K262-L379 HydrophobicContact CG-CD2 4.22Å; K262-K382 PolarHBondContact O-NZ 3.23Å
263E98.2Very high97.3Very high88 Ų8829.2 Ų29.241%0.41114%0.135SC..  trans-75.9138.1-174.4-58.2-167.2165.600112.4N260 F266 F267N260-E263 HydrophobicContact CB-CG 4.49Å; N260-E263 WeakPolarHBondContact O-CB 3.3Å; N260-E263 PolarHBondContact O-N 3.48Å; N260-E263 PolarHBondContact OD1-OE1 3.32Å; E263-F266 HydrophobicContact CB-CB 4.18Å; E263-F266 PolarHBondContact O-N 3.27Å; E263-F267 WeakPolarHBondContact O-CB 3.44Å; E263-F267 PolarHBondContact O-N 2.87Å
264D98.4Very high97.4Very high33 Ų3328.4 Ų28.418%0.17613%0.131CC..Hα-helixtrans-68.6-37.6179.7-79.1-6.9000112.5F266 F267 G268 M352 P353 W378 K382D264-F266 VanDerWaalsContact C-N 3.32Å; D264-F266 PolarHBondContact O-N 2.94Å; D264-F267 PolarHBondContact O-N 2.86Å; D264-G268 PolarHBondContact O-N 3.43Å; D264-M352 HydrophobicContact CB-CE 3.64Å; D264-P353 HydrophobicContact CB-CG 3.78Å; D264-P353 WeakPolarHBondContact O-CD 3.28Å; D264-W378 VanDerWaalsContact CG-NE1 3.33Å; D264-W378 PolarHBondContact OD1-NE1 3.34Å; D264-W378 PolarHBondContact OD2-NE1 3.14Å; D264-W378 VanDerWaalsContact OD2-NE1 3.08Å; D264-K382 WeakPolarHBondContact OD1-CE 3.33Å; D264-K382 IonicContact OD1-NZ 3.14Å; D264-K382 PolarHBondContact OD1-NZ 2.98Å
265S97.3Very high97.6Very high29 Ų2928.5 Ų28.520%0.20313%0.131CC..Hα-helixtrans-62-39.5174.339.60000112.2Y269S265-Y269 VanDerWaalsContact O-CB 3.29Å; S265-Y269 WeakPolarHBondContact O-CB 3.48Å; S265-Y269 PolarHBondContact O-N 3.09Å
266F98.3Very high97.7Very high6 Ų626.6 Ų26.63%0.02612%0.123CC..Hα-helixtrans-75.3-35.9178.3-175-116.4000112.3Y256 V257 N260 E263 D264 G268 Y269 Q270 F588 L685Y256-F266 HydrophobicContact CD1-CD2 4.36Å; Y256-F266 AromaticContact CD1-CE2 3.89Å; Y256-F266 HydrophobicContact CD1-CE2 3.89Å; Y256-F266 HydrophobicContact CD1-CZ 4.23Å; Y256-F266 AromaticContact CE1-CD2 3.74Å; Y256-F266 HydrophobicContact CE1-CD2 3.74Å; Y256-F266 AromaticContact CE1-CE2 3.69Å; Y256-F266 HydrophobicContact CE1-CE2 3.69Å; Y256-F266 HydrophobicContact CE1-CZ 4.41Å; V257-F266 HydrophobicContact CB-CE1 4.31Å; V257-F266 HydrophobicContact CB-CZ 4.33Å; V257-F266 HydrophobicContact CG1-CE1 4.29Å; V257-F266 HydrophobicContact CG2-CE1 4.1Å; V257-F266 HydrophobicContact CG2-CZ 3.69Å; N260-F266 HydrophobicContact CB-CB 4.07Å; N260-F266 HydrophobicContact CB-CD1 3.98Å; N260-F266 HydrophobicContact CB-CG 3.93Å; N260-F266 WeakPolarHBondContact O-CD1 3.36Å; E263-F266 HydrophobicContact CB-CB 4.18Å; E263-F266 PolarHBondContact O-N 3.27Å; D264-F266 VanDerWaalsContact C-N 3.32Å; D264-F266 PolarHBondContact O-N 2.94Å; F266-G268 VanDerWaalsContact C-N 3.33Å; F266-G268 PolarHBondContact O-N 3.47Å; F266-Y269 HydrophobicContact CD2-CD1 4.02Å; F266-Y269 HydrophobicContact CD2-CG 4.5Å; F266-Y269 AromaticContact CE2-CD1 3.92Å; F266-Y269 HydrophobicContact CE2-CD1 3.92Å; F266-Y269 HydrophobicContact CE2-CE1 4.39Å; F266-Y269 PolarHBondContact O-N 3.45Å; F266-Q270 HydrophobicContact CE1-CG 4.25Å; F266-Q270 HydrophobicContact CE2-CG 4.26Å; F266-Q270 HydrophobicContact CZ-CG 4.04Å; F266-Q270 WeakPolarHBondContact O-CG 3.43Å; F266-Q270 PolarHBondContact O-N 2.94Å; F266-Q270 VanDerWaalsContact O-N 3.15Å; F266-Q270 PolarHBondContact O-NE2 3.39Å; F266-F588 HydrophobicContact CE2-CE1 4.36Å; F266-F588 HydrophobicContact CZ-CD1 4.35Å; F266-F588 AromaticContact CZ-CE1 3.91Å; F266-F588 HydrophobicContact CZ-CE1 3.91Å; F266-L685 HydrophobicContact CE2-CD2 3.87Å
267F98.7Very high97.8Very high4 Ų424.7 Ų24.72%0.01812%0.115CC..Hα-helixtrans-57.6-46.1170.3177.1-92.5000111.5E263 D264 F271 V342 P353 I356 K382 V385 K386E263-F267 WeakPolarHBondContact O-CB 3.44Å; E263-F267 PolarHBondContact O-N 2.87Å; D264-F267 PolarHBondContact O-N 2.86Å; F267-F271 AromaticContact CD1-CE2 3.92Å; F267-F271 HydrophobicContact CD1-CE2 3.92Å; F267-F271 AromaticContact CE1-CE2 3.57Å; F267-F271 HydrophobicContact CE1-CE2 3.57Å; F267-F271 HydrophobicContact CE1-CZ 4Å; F267-F271 HydrophobicContact CZ-CE2 4.05Å; F267-F271 AromaticContact CZ-CZ 4Å; F267-F271 HydrophobicContact CZ-CZ 4Å; F267-V342 HydrophobicContact CE1-CG1 4.05Å; F267-P353 HydrophobicContact CD1-CB 3.81Å; F267-P353 HydrophobicContact CD1-CG 3.66Å; F267-P353 HydrophobicContact CE1-CB 3.84Å; F267-P353 HydrophobicContact CE1-CG 4.19Å; F267-I356 HydrophobicContact CE1-CD1 4.48Å; F267-I356 HydrophobicContact CZ-CD1 4.21Å; F267-K382 HydrophobicContact CB-CD 4.26Å; F267-K382 HydrophobicContact CD1-CD 4.27Å; F267-K382 HydrophobicContact CD2-CB 4Å; F267-K382 HydrophobicContact CD2-CD 3.85Å; F267-K382 HydrophobicContact CD2-CG 4.04Å; F267-K382 HydrophobicContact CE1-CG 4.43Å; F267-K382 HydrophobicContact CE2-CB 3.69Å; F267-K382 HydrophobicContact CE2-CD 4.17Å; F267-K382 HydrophobicContact CE2-CG 3.83Å; F267-K382 HydrophobicContact CG-CD 3.88Å; F267-K382 HydrophobicContact CG-CG 4.42Å; F267-K382 HydrophobicContact CZ-CB 4.28Å; F267-K382 HydrophobicContact CZ-CD 4.49Å; F267-K382 HydrophobicContact CZ-CG 4.02Å; F267-V385 HydrophobicContact CE2-CB 4.15Å; F267-V385 HydrophobicContact CE2-CG1 4.13Å; F267-V385 HydrophobicContact CZ-CB 3.89Å; F267-V385 HydrophobicContact CZ-CG1 3.69Å; F267-V385 HydrophobicContact CZ-CG2 4.31Å; F267-K386 HydrophobicContact CD2-CD 4.15Å; F267-K386 HydrophobicContact CD2-CG 4.24Å; F267-K386 HydrophobicContact CE2-CD 4Å; F267-K386 HydrophobicContact CE2-CG 3.98Å
268G98.3Very high97.8Very high0 Ų025.9 Ų25.90%012%0.121CC..Hα-helixtrans-67.7-40175.800000113.7D264 F266 Q270 F271 L351D264-G268 PolarHBondContact O-N 3.43Å; F266-G268 VanDerWaalsContact C-N 3.33Å; F266-G268 PolarHBondContact O-N 3.47Å; G268-Q270 VanDerWaalsContact C-N 3.26Å; G268-Q270 PolarHBondContact O-N 3.34Å; G268-F271 PolarHBondContact O-N 3.04Å; G268-F271 VanDerWaalsContact O-N 3.16Å; G268-L351 WeakPolarHBondContact CA-O 3.33Å
269Y98.4Very high97.9Very high47 Ų4724.2 Ų24.218%0.18412%0.116CC..Hα-helixtrans-55.4-40.2176.6174.1-91000112.6S265 F266 F271 L272 N273 F497 L685S265-Y269 VanDerWaalsContact O-CB 3.29Å; S265-Y269 WeakPolarHBondContact O-CB 3.48Å; S265-Y269 PolarHBondContact O-N 3.09Å; F266-Y269 HydrophobicContact CD2-CD1 4.02Å; F266-Y269 HydrophobicContact CD2-CG 4.5Å; F266-Y269 AromaticContact CE2-CD1 3.92Å; F266-Y269 HydrophobicContact CE2-CD1 3.92Å; F266-Y269 HydrophobicContact CE2-CE1 4.39Å; F266-Y269 PolarHBondContact O-N 3.45Å; Y269-F271 PolarHBondContact O-N 2.81Å; Y269-L272 PolarHBondContact O-N 3.41Å; Y269-N273 HydrophobicContact CD1-CB 4.22Å; Y269-N273 HydrophobicContact CD2-CB 4.45Å; Y269-N273 HydrophobicContact CE1-CB 3.55Å; Y269-N273 HydrophobicContact CE2-CB 3.84Å; Y269-N273 WeakPolarHBondContact CE2-ND2 3.45Å; Y269-N273 PolarHBondContact O-N 3.34Å; Y269-N273 WeakPolarHBondContact OH-CB 3.42Å; Y269-F497 HydrophobicContact CE2-CE2 4.43Å; Y269-L685 HydrophobicContact CD1-CD2 4.46Å; Y269-L685 HydrophobicContact CE1-CD2 3.65Å
270Q98.6Very high98.1Very high2 Ų218.6 Ų18.61%0.0099%0.089CC..Hα-helixtrans-62.7-23.2-178.5-75.1177.97300113.6F266 G268 L272 G274 F588 N594F266-Q270 HydrophobicContact CE1-CG 4.25Å; F266-Q270 HydrophobicContact CE2-CG 4.26Å; F266-Q270 HydrophobicContact CZ-CG 4.04Å; F266-Q270 WeakPolarHBondContact O-CG 3.43Å; F266-Q270 PolarHBondContact O-N 2.94Å; F266-Q270 VanDerWaalsContact O-N 3.15Å; F266-Q270 PolarHBondContact O-NE2 3.39Å; G268-Q270 VanDerWaalsContact C-N 3.26Å; G268-Q270 PolarHBondContact O-N 3.34Å; Q270-L272 PolarHBondContact O-N 3.06Å; Q270-G274 VanDerWaalsContact O-CA 3.24Å; Q270-G274 WeakPolarHBondContact O-CA 3.4Å; Q270-G274 PolarHBondContact O-N 2.83Å; Q270-F588 HydrophobicContact CG-CD1 4.04Å; Q270-F588 HydrophobicContact CG-CE1 3.87Å; Q270-N594 PolarHBondContact NE2-OD1 2.88Å; Q270-N594 PolarHBondContact OE1-ND2 2.78Å; Q270-N594 PolarHBondContact OE1-OD1 2.89Å
271F98.6Very high98.1Very high1 Ų121.5 Ų21.50%0.00410%0.102CC..Hα-helixtrans-73.4-15.7173.8-66.1-58.9000113.7F267 G268 Y269 P277 I280 C317 Y319 V342 L344 V385F267-F271 AromaticContact CD1-CE2 3.92Å; F267-F271 HydrophobicContact CD1-CE2 3.92Å; F267-F271 AromaticContact CE1-CE2 3.57Å; F267-F271 HydrophobicContact CE1-CE2 3.57Å; F267-F271 HydrophobicContact CE1-CZ 4Å; F267-F271 HydrophobicContact CZ-CE2 4.05Å; F267-F271 AromaticContact CZ-CZ 4Å; F267-F271 HydrophobicContact CZ-CZ 4Å; G268-F271 PolarHBondContact O-N 3.04Å; G268-F271 VanDerWaalsContact O-N 3.16Å; Y269-F271 PolarHBondContact O-N 2.81Å; F271-P277 WeakPolarHBondContact O-CA 3.4Å; F271-I280 HydrophobicContact CB-CB 4.14Å; F271-I280 HydrophobicContact CB-CD1 4.15Å; F271-I280 HydrophobicContact CB-CG2 4.44Å; F271-I280 WeakPolarHBondContact O-CG2 3.36Å; F271-C317 HydrophobicContact CE1-CB 4.47Å; F271-Y319 WeakPolarHBondContact CE1-OH 3.44Å; F271-V342 HydrophobicContact CE2-CG1 4.47Å; F271-L344 HydrophobicContact CD2-CD1 3.86Å; F271-L344 HydrophobicContact CD2-CD2 4.04Å; F271-L344 HydrophobicContact CE2-CD1 4.19Å; F271-L344 HydrophobicContact CE2-CD2 4.19Å; F271-V385 HydrophobicContact CZ-CG1 4.01Å
272L98.6Very high98.2Very high8 Ų823 Ų234%0.04211%0.108CC..Hα-helixtrans-102.6-42.4175-60.8-178.4000112Y269 Q270 P277 I280 L351 V493 F496 Y498Y269-L272 PolarHBondContact O-N 3.41Å; Q270-L272 PolarHBondContact O-N 3.06Å; L272-P277 WeakPolarHBondContact O-CB 3.1Å; L272-I280 HydrophobicContact CD2-CD1 4.11Å; L272-I280 HydrophobicContact CD2-CG2 4.19Å; L272-L351 HydrophobicContact CD1-CD1 3.53Å; L272-L351 HydrophobicContact CD1-CG 4.25Å; L272-L351 HydrophobicContact CD2-CD1 3.84Å; L272-L351 HydrophobicContact CG-CD1 3.6Å; L272-V493 HydrophobicContact CD1-CG1 3.92Å; L272-V493 HydrophobicContact CD2-CG1 4.08Å; L272-F496 HydrophobicContact CB-CD2 3.68Å; L272-F496 HydrophobicContact CB-CE2 4.12Å; L272-F496 HydrophobicContact CB-CG 4.23Å; L272-F496 HydrophobicContact CD1-CB 4.39Å; L272-F496 HydrophobicContact CD2-CB 4.32Å; L272-F496 HydrophobicContact CD2-CD1 3.92Å; L272-F496 HydrophobicContact CD2-CD2 3.86Å; L272-F496 HydrophobicContact CD2-CE1 4.13Å; L272-F496 HydrophobicContact CD2-CE2 4.05Å; L272-F496 HydrophobicContact CD2-CG 3.78Å; L272-F496 HydrophobicContact CD2-CZ 4.18Å; L272-F496 HydrophobicContact CG-CD2 4.31Å; L272-F496 HydrophobicContact CG-CG 4.44Å; L272-F496 VanDerWaalsContact O-CD2 3.24Å; L272-F496 WeakPolarHBondContact O-CD2 3.27Å; L272-F496 WeakPolarHBondContact O-CE2 3.17Å; L272-Y498 WeakPolarHBondContact O-CB 3.45Å
273N98.4Very high98.2Very high2 Ų219.5 Ų19.51%0.0119%0.093CC..Hα-helixtrans-132.39.7-165-55.5-50.8000113Y269 N495 F497 Y687Y269-N273 HydrophobicContact CD1-CB 4.22Å; Y269-N273 HydrophobicContact CD2-CB 4.45Å; Y269-N273 HydrophobicContact CE1-CB 3.55Å; Y269-N273 HydrophobicContact CE2-CB 3.84Å; Y269-N273 WeakPolarHBondContact CE2-ND2 3.45Å; Y269-N273 PolarHBondContact O-N 3.34Å; Y269-N273 WeakPolarHBondContact OH-CB 3.42Å; N273-N495 PolarHBondContact ND2-O 3.19Å; N273-F497 HydrophobicContact CB-CD2 4.48Å; N273-F497 WeakPolarHBondContact OD1-CB 3.49Å; N273-F497 PolarHBondContact OD1-N 3.14Å; N273-Y687 HydrophobicContact CB-CD2 4.08Å
274G97.8Very high98.1Very high1 Ų120.9 Ų20.91%0.0111%0.107CC..SBendtrans-82.3-168170.700000112Q270 N276Q270-G274 VanDerWaalsContact O-CA 3.24Å; Q270-G274 WeakPolarHBondContact O-CA 3.4Å; Q270-G274 PolarHBondContact O-N 2.83Å; G274-N276 PolarHBondContact O-N 2.96Å
275V96.9Very high97.9Very high3 Ų324.5 Ų24.52%0.01813%0.131CC..SBendtrans-69.1-19-179.7750000113.8H393 Q585 F588V275-H393 PolarHBondContact O-CD2 2.67Å; V275-Q585 HydrophobicContact CG2-CG 4.01Å; V275-F588 HydrophobicContact CB-CB 4.49Å; V275-F588 HydrophobicContact CB-CD2 4.25Å; V275-F588 HydrophobicContact CG1-CB 4.45Å
276N98.3Very high97.9Very high2 Ų224.9 Ų24.91%0.01113%0.13CC..  trans-130.774.1-179.3-168.927.4000113.6G274 M278 M279 D389 H393 S397G274-N276 PolarHBondContact O-N 2.96Å; N276-M278 PolarHBondContact O-N 2.84Å; N276-M279 WeakPolarHBondContact ND2-CG 3.43Å; N276-D389 PolarHBondContact ND2-OD1 2.92Å; N276-H393 HydrophobicContact CB-CB 3.78Å; N276-S397 WeakPolarHBondContact OD1-CB 3.46Å; N276-S397 PolarHBondContact OD1-OG 3.44Å
277P98.1Very high97.8Very high0 Ų026 Ų260%014%0.138CC..THydrogen-bonded Turntrans-78.619.3179.334-35.9000114F271 L272 R488 F496 Y498F271-P277 WeakPolarHBondContact O-CA 3.4Å; L272-P277 WeakPolarHBondContact O-CB 3.1Å; P277-R488 PolarHBondContact O-NH1 3.23Å; P277-F496 HydrophobicContact CB-CE2 4.15Å; P277-Y498 HydrophobicContact CB-CD1 3.78Å; P277-Y498 HydrophobicContact CB-CD2 4.42Å; P277-Y498 HydrophobicContact CB-CE1 4.36Å; P277-Y498 HydrophobicContact CB-CG 3.81Å; P277-Y498 HydrophobicContact CG-CD1 3.71Å; P277-Y498 HydrophobicContact CG-CD2 3.55Å; P277-Y498 HydrophobicContact CG-CE1 4.05Å; P277-Y498 HydrophobicContact CG-CE2 3.9Å; P277-Y498 HydrophobicContact CG-CG 3.44Å; P277-Y498 VanDerWaalsContact CG-CG 3.44Å
278M98Very high97.6Very high25 Ų2535.3 Ų35.312%0.12318%0.182CC..THydrogen-bonded Turntrans-97.2-13.2-169.5-56-52.4-6300114.1N276 R488 Y498N276-M278 PolarHBondContact O-N 2.84Å; M278-R488 PolarHBondContact O-NH1 2.93Å; M278-Y498 HydrophobicContact SD-CE1 4.18Å; M278-Y498 PolarHBondContact SD-OH 2.82Å
279M97.8Very high97.6Very high23 Ų2337.7 Ų37.711%0.11319%0.194CC..SBendtrans-92.6-27.2-169.8-63.7-55.9-55.500114.6N276 C317 D318 Y319 M392N276-M279 WeakPolarHBondContact ND2-CG 3.43Å; M279-C317 HydrophobicContact CB-CB 4.39Å; M279-D318 WeakPolarHBondContact CE-O 3.39Å; M279-Y319 HydrophobicContact CE-CD1 3.85Å; M279-Y319 HydrophobicContact CE-CE1 3.78Å; M279-Y319 HydrophobicContact CE-CG 4.32Å; M279-Y319 HydrophobicContact CG-CE1 3.93Å; M279-Y319 HydrophobicContact SD-CE1 4.29Å; M279-M392 HydrophobicContact SD-CB 4.27Å; M279-M392 HydrophobicContact SD-CE 4.48Å
280I98.6Very high97.5Very high0 Ų035.8 Ų35.80%019%0.187CC..EExtended strand (participates in β ladder)trans-75.7141.4-175.4-169.7169.1000111.5F271 L272 F315 L344 L351 R488 L490F271-I280 HydrophobicContact CB-CB 4.14Å; F271-I280 HydrophobicContact CB-CD1 4.15Å; F271-I280 HydrophobicContact CB-CG2 4.44Å; F271-I280 WeakPolarHBondContact O-CG2 3.36Å; L272-I280 HydrophobicContact CD2-CD1 4.11Å; L272-I280 HydrophobicContact CD2-CG2 4.19Å; I280-F315 HydrophobicContact CD1-CB 3.95Å; I280-F315 HydrophobicContact CD1-CD1 4.18Å; I280-F315 HydrophobicContact CD1-CG 4.17Å; I280-F315 HydrophobicContact CG1-CB 3.93Å; I280-F315 HydrophobicContact CG1-CD1 4.19Å; I280-F315 HydrophobicContact CG1-CG 4.39Å; I280-L344 HydrophobicContact CD1-CD1 4.11Å; I280-L344 HydrophobicContact CG1-CD1 4.48Å; I280-L351 HydrophobicContact CD1-CD1 3.44Å; I280-L351 VanDerWaalsContact CD1-CD1 3.44Å; I280-R488 WeakPolarHBondContact O-CD 3.28Å; I280-R488 PolarHBondContact O-NH1 3.37Å; I280-L490 HydrophobicContact CG2-CD1 4.01Å; I280-L490 WeakPolarHBondContact O-CD1 3.37Å
281Q98.6Very high97.1Very high78 Ų7841.4 Ų41.436%0.36421%0.213SC..EExtended strand (participates in β ladder)trans-146.2156.1171.157.8-178.61.900110.5C283 F315 L316 R488Q281-C283 PolarHBondContact O-N 3.47Å; Q281-F315 CarbonylContact O-C 3.57Å; Q281-F315 VanDerWaalsContact O-CA 3.28Å; Q281-F315 WeakPolarHBondContact O-CA 3.45Å; Q281-F315 WeakPolarHBondContact O-CB 3.23Å; Q281-L316 WeakPolarHBondContact CG-O 3.42Å; Q281-L316 PolarHBondContact N-O 2.68Å; Q281-L316 VanDerWaalsContact N-O 3.09Å; Q281-L316 PolarHBondContact O-N 2.63Å; Q281-R488 CarbonylContact C-O 3.41Å; Q281-R488 WeakPolarHBondContact CA-O 3.27Å; Q281-R488 HydrophobicContact CB-CB 4.04Å; Q281-R488 HydrophobicContact CB-CG 4.29Å
282R98.5Very high96.9Very high53 Ų5342 Ų4220%0.222%0.217CC..EExtended strand (participates in β ladder)trans-66.8130.8173.3-173.5165.4-60.9-160.3-1.7110.2F315 R488 G489 D492R282-F315 HydrophobicContact CB-CD1 4.34Å; R282-F315 HydrophobicContact CB-CE1 4.26Å; R282-R488 PolarHBondContact N-O 2.68Å; R282-G489 WeakPolarHBondContact CB-O 3.34Å; R282-G489 VanDerWaalsContact CZ-O 3.25Å; R282-G489 PolarHBondContact NE-O 2.7Å; R282-G489 PolarHBondContact NH2-O 3.04Å; R282-G489 VanDerWaalsContact NH2-O 3.12Å; R282-D492 IonicContact CZ-OD1 2.72Å; R282-D492 IonicContact CZ-OD2 3.75Å; R282-D492 IonicContact NH1-OD1 3.88Å; R282-D492 PolarHBondContact NH1-OD1 3.32Å; R282-D492 VanDerWaalsContact NH1-OD1 3.14Å; R282-D492 IonicContact NH1-OD2 3.3Å; R282-D492 PolarHBondContact NH1-OD2 3.39Å; R282-D492 VanDerWaalsContact NH2-CG 3.35Å; R282-D492 IonicContact NH2-OD1 3.05Å; R282-D492 PolarHBondContact NH2-OD1 2.94Å; R282-D492 IonicContact NH2-OD2 2.85Å; R282-D492 PolarHBondContact NH2-OD2 2.89Å
283C98.1Very high96.6Very high5 Ų544.3 Ų44.33%0.03423%0.232CC..  trans-90.2110.6177.6-167.40000109.2Q281 T285 M309 I314 L316Q281-C283 PolarHBondContact O-N 3.47Å; C283-T285 PolarHBondContact SG-O 3.09Å; C283-T285 VanDerWaalsContact SG-O 3.38Å; C283-M309 WeakPolarHBondContact O-CG 3.25Å; C283-I314 HydrophobicContact CB-CB 4.31Å; C283-I314 HydrophobicContact CB-CG2 3.82Å; C283-I314 WeakPolarHBondContact CB-O 3.46Å; C283-I314 PolarHBondContact N-O 3.48Å; C283-L316 HydrophobicContact CB-CB 4.11Å
284V96Very high96.4Very high116 Ų11646.7 Ų46.770%0.70324%0.244SC*.SBendtrans-91.1-29.5174.1-72.30000112.5
285T95.1Very high96.1Very high110 Ų11053.4 Ų53.468%0.67528%0.276SS*.SBendtrans-144.9132.8178.1-51.30000108.1C283C283-T285 PolarHBondContact SG-O 3.09Å; C283-T285 VanDerWaalsContact SG-O 3.38Å
286L95.8Very high96Very high37 Ų3757.1 Ų57.119%0.19429%0.294CS..  trans-63133.9173.5-84.3158.2000110.7E288 F290 L305 M309 L343L286-E288 PolarHBondContact O-N 2.76Å; L286-F290 HydrophobicContact CD2-CD1 4.45Å; L286-L305 HydrophobicContact CD1-CB 4.07Å; L286-L305 HydrophobicContact CD1-CD1 3.7Å; L286-L305 HydrophobicContact CD1-CG 4.32Å; L286-M309 HydrophobicContact CD1-CE 4.1Å; L286-M309 HydrophobicContact CG-CE 4.2Å; L286-M309 HydrophobicContact CG-SD 4.13Å; L286-L343 HydrophobicContact CD2-CD1 3.78Å; L286-L343 HydrophobicContact CD2-CD2 4.05Å
287P96.4Very high95.7Very high30 Ų3058.2 Ų58.220%0.19530%0.301CS..  trans-59.1137.1172.2-22.332.8000111.3N289 F290 L316 L341P287-N289 WeakPolarHBondContact CB-OD1 3.37Å; P287-N289 PolarHBondContact O-N 2.94Å; P287-N289 VanDerWaalsContact O-N 3.13Å; P287-F290 HydrophobicContact CB-CB 4.24Å; P287-F290 PolarHBondContact O-N 3.31Å; P287-L316 HydrophobicContact CG-CD2 3.55Å; P287-L341 HydrophobicContact CG-CD2 4.47Å
288E95.8Very high95.3Very high199 Ų19958.8 Ų58.893%0.9330%0.303SS*.THydrogen-bonded Turntrans-59.4-28.1179.8-64.5-177.9175.800112.8L286 F290L286-E288 PolarHBondContact O-N 2.76Å; E288-F290 VanDerWaalsContact C-N 3.27Å; E288-F290 PolarHBondContact O-N 2.72Å
289N96.9Very high94.4Very high49 Ų4964.6 Ų64.626%0.26233%0.327SS..THydrogen-bonded Turntrans-86.19.7177.471.5-46.8000113.6P287 Q357 Q360 P362P287-N289 WeakPolarHBondContact CB-OD1 3.37Å; P287-N289 PolarHBondContact O-N 2.94Å; P287-N289 VanDerWaalsContact O-N 3.13Å; N289-Q357 PolarHBondContact O-NE2 3.46Å; N289-Q360 WeakPolarHBondContact CB-O 3.43Å; N289-Q360 PolarHBondContact ND2-O 3.47Å; N289-Q360 PolarHBondContact ND2-OE1 2.85Å; N289-P362 HydrophobicContact CB-CG 4.45Å; N289-P362 VanDerWaalsContact O-CG 3.23Å; N289-P362 WeakPolarHBondContact O-CG 3.41Å
290F96.6Very high93.6Very high7 Ų767.9 Ų67.93%0.03135%0.346CS..  trans-115.898.2174.8-160.2179.5000110.1L286 P287 E288 V292 L316 L341 L343 A355 Q357 V368L286-F290 HydrophobicContact CD2-CD1 4.45Å; P287-F290 HydrophobicContact CB-CB 4.24Å; P287-F290 PolarHBondContact O-N 3.31Å; E288-F290 VanDerWaalsContact C-N 3.27Å; E288-F290 PolarHBondContact O-N 2.72Å; F290-V292 VanDerWaalsContact C-N 3.28Å; F290-V292 HydrophobicContact CD1-CG2 4.44Å; F290-V292 HydrophobicContact CD2-CG2 3.49Å; F290-V292 VanDerWaalsContact CD2-CG2 3.49Å; F290-V292 HydrophobicContact CE1-CG2 4.4Å; F290-V292 HydrophobicContact CE2-CG2 3.4Å; F290-V292 VanDerWaalsContact CE2-CG2 3.4Å; F290-V292 HydrophobicContact CG-CG2 4.03Å; F290-V292 HydrophobicContact CZ-CG2 3.91Å; F290-V292 PolarHBondContact O-N 3.05Å; F290-L316 HydrophobicContact CD1-CD1 4.04Å; F290-L316 HydrophobicContact CE1-CD1 3.98Å; F290-L341 HydrophobicContact CB-CD1 4.12Å; F290-L341 HydrophobicContact CD1-CB 3.77Å; F290-L341 HydrophobicContact CD2-CB 4.3Å; F290-L341 HydrophobicContact CE1-CB 3.7Å; F290-L341 HydrophobicContact CE2-CB 4.27Å; F290-L341 HydrophobicContact CG-CB 4.07Å; F290-L341 HydrophobicContact CG-CD1 4.17Å; F290-L341 HydrophobicContact CZ-CB 3.97Å; F290-L341 WeakPolarHBondContact CZ-O 3.5Å; F290-L343 HydrophobicContact CE1-CB 3.78Å; F290-L343 HydrophobicContact CE1-CD1 4.46Å; F290-L343 HydrophobicContact CZ-CB 4.05Å; F290-A355 HydrophobicContact CE2-CB 4.36Å; F290-A355 HydrophobicContact CZ-CB 4.04Å; F290-Q357 HydrophobicContact CD2-CB 3.84Å; F290-Q357 HydrophobicContact CE2-CB 3.58Å; F290-Q357 HydrophobicContact CZ-CB 4.49Å; F290-V368 HydrophobicContact CE2-CG1 4.07Å; F290-V368 HydrophobicContact CE2-CG2 4.47Å
291Q89.3Confident92.7Very high120 Ų12071.1 Ų71.156%0.56138%0.379SS*.  trans-81.167.4-170.7-66.5-173.7-6.900112.9P362Q291-P362 HydrophobicContact CG-CB 3.74Å; Q291-P362 HydrophobicContact CG-CG 3.79Å
292V94.8Very high92Very high15 Ų1575.6 Ų75.69%0.09140%0.397CS..  trans-110.8132.9177.5-173.30000109.9F290 V297 L305 L343 A355 V368F290-V292 VanDerWaalsContact C-N 3.28Å; F290-V292 HydrophobicContact CD1-CG2 4.44Å; F290-V292 HydrophobicContact CD2-CG2 3.49Å; F290-V292 VanDerWaalsContact CD2-CG2 3.49Å; F290-V292 HydrophobicContact CE1-CG2 4.4Å; F290-V292 HydrophobicContact CE2-CG2 3.4Å; F290-V292 VanDerWaalsContact CE2-CG2 3.4Å; F290-V292 HydrophobicContact CG-CG2 4.03Å; F290-V292 HydrophobicContact CZ-CG2 3.91Å; F290-V292 PolarHBondContact O-N 3.05Å; V292-V297 HydrophobicContact CG1-CG1 3.52Å; V292-L305 HydrophobicContact CG1-CD1 3.9Å; V292-L343 HydrophobicContact CG1-CD2 4.14Å; V292-A355 HydrophobicContact CG1-CB 4.31Å; V292-A355 HydrophobicContact CG2-CB 3.88Å; V292-V368 HydrophobicContact CG2-CG1 4.09Å
293T93.7Very high91.6Very high56 Ų5676.3 Ų76.334%0.34440%0.403SS..  trans-116.3164173.679.50000111.6E295 M296T293-E295 VanDerWaalsContact C-N 3.3Å; T293-E295 VanDerWaalsContact CB-OE2 3.29Å; T293-E295 WeakPolarHBondContact CB-OE2 3.37Å; T293-E295 PolarHBondContact O-N 3.48Å; T293-E295 PolarHBondContact OG1-OE2 3.37Å; T293-M296 HydrophobicContact CG2-CE 4.2Å; T293-M296 HydrophobicContact CG2-SD 4.33Å; T293-M296 WeakPolarHBondContact O-CB 3.33Å; T293-M296 PolarHBondContact O-N 2.91Å; T293-M296 VanDerWaalsContact O-N 3.15Å; T293-M296 WeakPolarHBondContact OG1-CG 3.46Å
294D93.8Very high91.4Very high51 Ų5177 Ų7727%0.27341%0.408SS..Hα-helixtrans-56.8-43.4179.7-67.9-15000111.8M296 V297 F298 S304 L305D294-M296 PolarHBondContact O-N 3.31Å; D294-V297 PolarHBondContact O-N 2.82Å; D294-F298 PolarHBondContact O-N 2.91Å; D294-S304 VanDerWaalsContact OD2-CB 3.3Å; D294-S304 WeakPolarHBondContact OD2-CB 3.44Å; D294-L305 WeakPolarHBondContact OD1-CB 3.3Å; D294-L305 WeakPolarHBondContact OD1-CG 3.32Å; D294-L305 PolarHBondContact OD1-N 3.41Å
295E92Very high91.4Very high143 Ų14371.6 Ų71.667%0.66838%0.375SS*.Hα-helixtrans-67.4-24.4-177.8-53.378.9-171.100112.8T293T293-E295 VanDerWaalsContact C-N 3.3Å; T293-E295 VanDerWaalsContact CB-OE2 3.29Å; T293-E295 WeakPolarHBondContact CB-OE2 3.37Å; T293-E295 PolarHBondContact O-N 3.48Å; T293-E295 PolarHBondContact OG1-OE2 3.37Å
296M92.9Very high91.4Very high80 Ų8069.8 Ų69.839%0.39436%0.364SS..Hα-helixtrans-73.8-35.9178.5-67.2177.5178.400112T293 D294 F370T293-M296 HydrophobicContact CG2-CE 4.2Å; T293-M296 HydrophobicContact CG2-SD 4.33Å; T293-M296 WeakPolarHBondContact O-CB 3.33Å; T293-M296 PolarHBondContact O-N 2.91Å; T293-M296 VanDerWaalsContact O-N 3.15Å; T293-M296 WeakPolarHBondContact OG1-CG 3.46Å; D294-M296 PolarHBondContact O-N 3.31Å; M296-F370 HydrophobicContact CB-CE1 3.77Å; M296-F370 HydrophobicContact CB-CE2 4.3Å; M296-F370 HydrophobicContact CB-CZ 3.61Å; M296-F370 HydrophobicContact CG-CZ 4.03Å; M296-F370 HydrophobicContact SD-CE2 4.43Å; M296-F370 HydrophobicContact SD-CZ 3.73Å
297V92.3Very high91.4Very high26 Ų2671.8 Ų71.816%0.15837%0.374CS..Hα-helixtrans-105-28.2-173.2-63.90000113.6V292 D294 L305 I354 A355 F370V292-V297 HydrophobicContact CG1-CG1 3.52Å; D294-V297 PolarHBondContact O-N 2.82Å; V297-L305 HydrophobicContact CG2-CD1 3.92Å; V297-L305 HydrophobicContact CG2-CD2 3.88Å; V297-L305 HydrophobicContact CG2-CG 3.87Å; V297-I354 HydrophobicContact CB-CD1 4.16Å; V297-I354 HydrophobicContact CG1-CB 4.37Å; V297-I354 HydrophobicContact CG1-CD1 4.16Å; V297-I354 HydrophobicContact CG1-CG1 4.47Å; V297-I354 HydrophobicContact CG2-CD1 4.46Å; V297-A355 HydrophobicContact CG1-CB 4.4Å; V297-F370 HydrophobicContact CG1-CD1 4.24Å; V297-F370 HydrophobicContact CG1-CE1 4.05Å
298F90.9Very high91.4Very high11 Ų1170.6 Ų70.65%0.04837%0.366CS..  trans-116.278.2-178.9-57-54.4000111D294 D300 G301 Q303 L305 E308 I314 H345D294-F298 PolarHBondContact O-N 2.91Å; F298-D300 PolarHBondContact O-N 3.04Å; F298-D300 VanDerWaalsContact O-N 3.13Å; F298-G301 PolarHBondContact O-N 3.02Å; F298-Q303 HydrophobicContact CB-CB 4.2Å; F298-Q303 HydrophobicContact CD1-CB 3.79Å; F298-Q303 HydrophobicContact CD2-CB 3.82Å; F298-Q303 WeakPolarHBondContact CD2-O 3.39Å; F298-Q303 HydrophobicContact CE1-CB 4.09Å; F298-Q303 HydrophobicContact CE2-CB 4.12Å; F298-Q303 HydrophobicContact CG-CB 3.67Å; F298-Q303 HydrophobicContact CZ-CB 4.25Å; F298-L305 HydrophobicContact CE2-CD2 3.94Å; F298-L305 HydrophobicContact CE2-CG 3.88Å; F298-L305 HydrophobicContact CZ-CD2 4.28Å; F298-E308 HydrophobicContact CE2-CG 4.42Å; F298-E308 HydrophobicContact CZ-CG 3.99Å; F298-I314 HydrophobicContact CZ-CD1 4.48Å; F298-H345 AromaticContact CE1-CE1 3.87Å; F298-H345 AromaticContact CE1-ND1 3.86Å
299K79.4Confident91.4Very high147 Ų14762.2 Ų62.264%0.63933%0.327SS*.THydrogen-bonded Turntrans-62.9-20.7-174.6-69.3-167.2179-177.50115.1G301 T372K299-G301 VanDerWaalsContact C-N 3.32Å; K299-T372 HydrophobicContact CD-CG2 4.38Å; K299-T372 WeakPolarHBondContact CE-OG1 3.31Å; K299-T372 PolarHBondContact NZ-OG1 3.43Å
300D80.7Confident91.4Very high93 Ų9367.6 Ų67.650%0.49735%0.348SS..THydrogen-bonded Turntrans-85.9-5.8178.172.8-12.2000113.3F298 K302F298-D300 PolarHBondContact O-N 3.04Å; F298-D300 VanDerWaalsContact O-N 3.13Å; D300-K302 HydrophobicContact CB-CG 4.42Å; D300-K302 PolarHBondContact O-N 2.84Å; D300-K302 PolarHBondContact OD1-N 3.2Å; D300-K302 WeakPolarHBondContact OD2-CD 3.25Å; D300-K302 IonicContact OD2-NZ 3.94Å
301G78.4Confident91.3Very high67 Ų6773.5 Ų73.569%0.69137%0.374SS*.SBendtrans65.813.4178.100000114.5F298 K299F298-G301 PolarHBondContact O-N 3.02Å; K299-G301 VanDerWaalsContact C-N 3.32Å
302K84Confident91.7Very high172 Ų17268 Ų6875%0.74835%0.349SS*.SBendtrans-90.6-13.7-177.1-64-175.3-168.1159.80113.6D300D300-K302 HydrophobicContact CB-CG 4.42Å; D300-K302 PolarHBondContact O-N 2.84Å; D300-K302 PolarHBondContact OD1-N 3.2Å; D300-K302 WeakPolarHBondContact OD2-CD 3.25Å; D300-K302 IonicContact OD2-NZ 3.94Å
303Q90.6Very high91.8Very high69 Ų6968.5 Ų68.532%0.32235%0.352SS..  trans-127152.6-176.5-60.8-177.3-85.400109.9F298 E308F298-Q303 HydrophobicContact CB-CB 4.2Å; F298-Q303 HydrophobicContact CD1-CB 3.79Å; F298-Q303 HydrophobicContact CD2-CB 3.82Å; F298-Q303 WeakPolarHBondContact CD2-O 3.39Å; F298-Q303 HydrophobicContact CE1-CB 4.09Å; F298-Q303 HydrophobicContact CE2-CB 4.12Å; F298-Q303 HydrophobicContact CG-CB 3.67Å; F298-Q303 HydrophobicContact CZ-CB 4.25Å; Q303-E308 HydrophobicContact CB-CG 4.41Å; Q303-E308 VanDerWaalsContact NE2-CD 3.32Å; Q303-E308 PolarHBondContact NE2-OE1 2.81Å; Q303-E308 VanDerWaalsContact NE2-OE1 3.14Å
304S94.6Very high92Very high20 Ų2065.8 Ų65.814%0.1434%0.335CS..  trans-125.6147.1172.274.80000109.1D294 T306 D307 E308D294-S304 VanDerWaalsContact OD2-CB 3.3Å; D294-S304 WeakPolarHBondContact OD2-CB 3.44Å; S304-T306 PolarHBondContact O-N 3.36Å; S304-D307 PolarHBondContact O-N 2.87Å; S304-D307 VanDerWaalsContact OG-CB 3.26Å; S304-D307 WeakPolarHBondContact OG-CB 3.1Å; S304-D307 PolarHBondContact OG-N 3.46Å; S304-D307 PolarHBondContact OG-OD2 2.89Å; S304-E308 WeakPolarHBondContact O-CG 3.23Å; S304-E308 PolarHBondContact O-N 2.94Å
305L95.5Very high92.2Very high2 Ų263.4 Ų63.41%0.0132%0.322CS..Hα-helixtrans-61.1-38.1176.9-74.9162.4000110.1L286 V292 D294 V297 F298 D307 E308 M309 I314 L343 I354L286-L305 HydrophobicContact CD1-CB 4.07Å; L286-L305 HydrophobicContact CD1-CD1 3.7Å; L286-L305 HydrophobicContact CD1-CG 4.32Å; V292-L305 HydrophobicContact CG1-CD1 3.9Å; D294-L305 WeakPolarHBondContact OD1-CB 3.3Å; D294-L305 WeakPolarHBondContact OD1-CG 3.32Å; D294-L305 PolarHBondContact OD1-N 3.41Å; V297-L305 HydrophobicContact CG2-CD1 3.92Å; V297-L305 HydrophobicContact CG2-CD2 3.88Å; V297-L305 HydrophobicContact CG2-CG 3.87Å; F298-L305 HydrophobicContact CE2-CD2 3.94Å; F298-L305 HydrophobicContact CE2-CG 3.88Å; F298-L305 HydrophobicContact CZ-CD2 4.28Å; L305-D307 PolarHBondContact O-N 2.78Å; L305-E308 PolarHBondContact O-N 3Å; L305-M309 HydrophobicContact CB-CE 4.27Å; L305-M309 VanDerWaalsContact O-CB 3.3Å; L305-M309 WeakPolarHBondContact O-CB 3.45Å; L305-M309 WeakPolarHBondContact O-CE 3.41Å; L305-M309 VanDerWaalsContact O-CG 3.25Å; L305-M309 WeakPolarHBondContact O-CG 3.37Å; L305-M309 PolarHBondContact O-N 3.49Å; L305-I314 HydrophobicContact CD2-CD1 4.23Å; L305-L343 HydrophobicContact CD2-CD2 3.85Å; L305-I354 HydrophobicContact CD2-CD1 4.27Å
306T95.1Very high92.6Very high72 Ų7257 Ų5744%0.44229%0.293SS..Hα-helixtrans-59.6-45.9177.8-61.90000111.8S304 K310S304-T306 PolarHBondContact O-N 3.36Å; T306-K310 WeakPolarHBondContact O-CG 3.47Å; T306-K310 PolarHBondContact O-N 2.93Å; T306-K310 VanDerWaalsContact O-N 3.11Å
307D95.6Very high92.8Very high78 Ų7853.2 Ų53.242%0.41727%0.274SS..Hα-helixtrans-74.5-37.2-178.9-64.3-33.6000111.9S304 L305 K310 K311S304-D307 PolarHBondContact O-N 2.87Å; S304-D307 VanDerWaalsContact OG-CB 3.26Å; S304-D307 WeakPolarHBondContact OG-CB 3.1Å; S304-D307 PolarHBondContact OG-N 3.46Å; S304-D307 PolarHBondContact OG-OD2 2.89Å; L305-D307 PolarHBondContact O-N 2.78Å; D307-K310 PolarHBondContact O-N 2.86Å; D307-K310 IonicContact OD1-NZ 3.4Å; D307-K311 VanDerWaalsContact O-CG 3.28Å; D307-K311 WeakPolarHBondContact O-CG 3.25Å; D307-K311 PolarHBondContact O-N 3.39Å
308E96.5Very high93.1Very high5 Ų553 Ų532%0.02327%0.272CS..Hα-helixtrans-69.1-35175.9-66.6-60.5130.500112.4F298 Q303 S304 L305 K311 G312 N313 I314 H345F298-E308 HydrophobicContact CE2-CG 4.42Å; F298-E308 HydrophobicContact CZ-CG 3.99Å; Q303-E308 HydrophobicContact CB-CG 4.41Å; Q303-E308 VanDerWaalsContact NE2-CD 3.32Å; Q303-E308 PolarHBondContact NE2-OE1 2.81Å; Q303-E308 VanDerWaalsContact NE2-OE1 3.14Å; S304-E308 WeakPolarHBondContact O-CG 3.23Å; S304-E308 PolarHBondContact O-N 2.94Å; L305-E308 PolarHBondContact O-N 3Å; E308-K311 PolarHBondContact O-N 3.28Å; E308-K311 IonicContact OE1-NZ 2.75Å; E308-K311 PolarHBondContact OE1-NZ 3.48Å; E308-G312 PolarHBondContact O-N 3.39Å; E308-N313 HydrophobicContact CB-CB 4.39Å; E308-N313 PolarHBondContact O-N 2.93Å; E308-N313 WeakPolarHBondContact OE2-CB 3.48Å; E308-N313 PolarHBondContact OE2-ND2 2.98Å; E308-I314 HydrophobicContact CB-CD1 3.78Å; E308-I314 HydrophobicContact CB-CG1 3.64Å; E308-H345 IonicContact OE2-CD2 2.96Å; E308-H345 IonicContact OE2-CE1 3.47Å; E308-H345 IonicContact OE2-NE2 3.86Å; E308-H345 PolarHBondContact OE2-NE2 2.96Å
309M96.6Very high93.5Very high23 Ų2352.5 Ų52.511%0.11327%0.27CS..Hα-helixtrans-62.8-44.6170.1-76.8-173.8-70.100111.2C283 L286 L305 K311 G312 I314C283-M309 WeakPolarHBondContact O-CG 3.25Å; L286-M309 HydrophobicContact CD1-CE 4.1Å; L286-M309 HydrophobicContact CG-CE 4.2Å; L286-M309 HydrophobicContact CG-SD 4.13Å; L305-M309 HydrophobicContact CB-CE 4.27Å; L305-M309 VanDerWaalsContact O-CB 3.3Å; L305-M309 WeakPolarHBondContact O-CB 3.45Å; L305-M309 WeakPolarHBondContact O-CE 3.41Å; L305-M309 VanDerWaalsContact O-CG 3.25Å; L305-M309 WeakPolarHBondContact O-CG 3.37Å; L305-M309 PolarHBondContact O-N 3.49Å; M309-K311 VanDerWaalsContact C-N 3.28Å; M309-K311 PolarHBondContact O-N 2.99Å; M309-G312 WeakPolarHBondContact O-CA 3.25Å; M309-G312 PolarHBondContact O-N 2.84Å; M309-I314 HydrophobicContact CG-CB 3.72Å; M309-I314 HydrophobicContact CG-CG1 3.88Å; M309-I314 HydrophobicContact CG-CG2 4.12Å
310K96.1Very high94.4Very high162 Ų16251.4 Ų51.470%0.70427%0.265SS*.Hα-helixtrans-61.5-34.8175.3-74.4171.5-172.9165.40113T306 D307 G312T306-K310 WeakPolarHBondContact O-CG 3.47Å; T306-K310 PolarHBondContact O-N 2.93Å; T306-K310 VanDerWaalsContact O-N 3.11Å; D307-K310 PolarHBondContact O-N 2.86Å; D307-K310 IonicContact OD1-NZ 3.4Å; K310-G312 PolarHBondContact O-N 3.2Å
311K95.6Very high95.2Very high131 Ų13149 Ų4957%0.5725%0.251SS*.THydrogen-bonded Turntrans-73.5-9.3173.4-68.5171.3-166.3170.30113.1D307 E308 M309 N313D307-K311 VanDerWaalsContact O-CG 3.28Å; D307-K311 WeakPolarHBondContact O-CG 3.25Å; D307-K311 PolarHBondContact O-N 3.39Å; E308-K311 PolarHBondContact O-N 3.28Å; E308-K311 IonicContact OE1-NZ 2.75Å; E308-K311 PolarHBondContact OE1-NZ 3.48Å; M309-K311 VanDerWaalsContact C-N 3.28Å; M309-K311 PolarHBondContact O-N 2.99Å; K311-N313 VanDerWaalsContact C-N 3.35Å
312G96.3Very high96.1Very high4 Ų446 Ų464%0.04122%0.22CC..THydrogen-bonded Turntrans73.924.5-175.700000113.8E308 M309 K310 F315E308-G312 PolarHBondContact O-N 3.39Å; M309-G312 WeakPolarHBondContact O-CA 3.25Å; M309-G312 PolarHBondContact O-N 2.84Å; K310-G312 PolarHBondContact O-N 3.2Å; G312-F315 WeakPolarHBondContact O-CZ 3.47Å
313N96.9Very high96.8Very high26 Ų2641.3 Ų41.314%0.13920%0.203CC..  trans-94.6-9.8-177.4-68.5-21.8000113.5E308 K311 H345 K346E308-N313 HydrophobicContact CB-CB 4.39Å; E308-N313 PolarHBondContact O-N 2.93Å; E308-N313 WeakPolarHBondContact OE2-CB 3.48Å; E308-N313 PolarHBondContact OE2-ND2 2.98Å; K311-N313 VanDerWaalsContact C-N 3.35Å; N313-H345 CarbonylContact O-C 3.56Å; N313-H345 WeakPolarHBondContact O-CA 3.39Å; N313-H345 PolarHBondContact O-CD2 2.96Å; N313-K346 HydrophobicContact CB-CB 4.37Å; N313-K346 PolarHBondContact O-N 3.36Å; N313-K346 WeakPolarHBondContact OD1-CE 3.49Å; N313-K346 PolarHBondContact OD1-NZ 3.25Å
314I98.2Very high97.1Very high0 Ų041.6 Ų41.60%022%0.224CC..EExtended strand (participates in β ladder)trans-104.1134.3-179.4-54.5-63.4000110C283 F298 L305 E308 M309 L343 L344 H345 I354C283-I314 HydrophobicContact CB-CB 4.31Å; C283-I314 HydrophobicContact CB-CG2 3.82Å; C283-I314 WeakPolarHBondContact CB-O 3.46Å; C283-I314 PolarHBondContact N-O 3.48Å; F298-I314 HydrophobicContact CZ-CD1 4.48Å; L305-I314 HydrophobicContact CD2-CD1 4.23Å; E308-I314 HydrophobicContact CB-CD1 3.78Å; E308-I314 HydrophobicContact CB-CG1 3.64Å; M309-I314 HydrophobicContact CG-CB 3.72Å; M309-I314 HydrophobicContact CG-CG1 3.88Å; M309-I314 HydrophobicContact CG-CG2 4.12Å; I314-L343 HydrophobicContact CG2-CD1 3.45Å; I314-L343 VanDerWaalsContact CG2-CD1 3.45Å; I314-L343 HydrophobicContact CG2-CD2 4.49Å; I314-L343 HydrophobicContact CG2-CG 3.94Å; I314-L344 WeakPolarHBondContact CA-O 3.34Å; I314-H345 HydrophobicContact CD1-CB 4.03Å; I314-I354 HydrophobicContact CD1-CD1 4.26Å
315F98.7Very high97.2Very high0 Ų041.3 Ų41.30%022%0.221CC..EExtended strand (participates in β ladder)trans-127.7154.5180-58.7-98.3000110.2I280 Q281 R282 G312 L344 K346 L351 L490 V493I280-F315 HydrophobicContact CD1-CB 3.95Å; I280-F315 HydrophobicContact CD1-CD1 4.18Å; I280-F315 HydrophobicContact CD1-CG 4.17Å; I280-F315 HydrophobicContact CG1-CB 3.93Å; I280-F315 HydrophobicContact CG1-CD1 4.19Å; I280-F315 HydrophobicContact CG1-CG 4.39Å; Q281-F315 CarbonylContact O-C 3.57Å; Q281-F315 VanDerWaalsContact O-CA 3.28Å; Q281-F315 WeakPolarHBondContact O-CA 3.45Å; Q281-F315 WeakPolarHBondContact O-CB 3.23Å; R282-F315 HydrophobicContact CB-CD1 4.34Å; R282-F315 HydrophobicContact CB-CE1 4.26Å; G312-F315 WeakPolarHBondContact O-CZ 3.47Å; F315-L344 HydrophobicContact CB-CB 4.15Å; F315-L344 PolarHBondContact N-O 3.09Å; F315-L344 PolarHBondContact O-N 2.75Å; F315-K346 HydrophobicContact CE2-CB 4.02Å; F315-L351 HydrophobicContact CD2-CD2 3.51Å; F315-L351 HydrophobicContact CE2-CD2 3.74Å; F315-L351 HydrophobicContact CG-CD2 4.21Å; F315-L490 HydrophobicContact CD1-CD2 3.91Å; F315-L490 HydrophobicContact CE1-CD2 3.8Å; F315-V493 HydrophobicContact CE1-CG2 3.58Å; F315-V493 HydrophobicContact CZ-CG2 3.74Å
316L98.8Very high97.3Very high9 Ų947.2 Ų47.25%0.04725%0.247CC..EExtended strand (participates in β ladder)trans-129.8134.2-178.3-179.869.9000109.6Q281 C283 P287 F290 D318 L341 V342Q281-L316 WeakPolarHBondContact CG-O 3.42Å; Q281-L316 PolarHBondContact N-O 2.68Å; Q281-L316 VanDerWaalsContact N-O 3.09Å; Q281-L316 PolarHBondContact O-N 2.63Å; C283-L316 HydrophobicContact CB-CB 4.11Å; P287-L316 HydrophobicContact CG-CD2 3.55Å; F290-L316 HydrophobicContact CD1-CD1 4.04Å; F290-L316 HydrophobicContact CE1-CD1 3.98Å; L316-D318 HydrophobicContact CD2-CB 4.32Å; L316-D318 HydrophobicContact CG-CB 4.38Å; L316-L341 HydrophobicContact CD1-CD2 4.29Å; L316-V342 WeakPolarHBondContact CA-O 3.47Å
317C98.8Very high97.4Very high0 Ų044.6 Ų44.60%023%0.232CC..EExtended strand (participates in β ladder)trans-111.5118.3159.8-57.10000108.1F271 M279 Y319 V342F271-C317 HydrophobicContact CE1-CB 4.47Å; M279-C317 HydrophobicContact CB-CB 4.39Å; C317-Y319 HydrophobicContact CB-CE2 3.86Å; C317-V342 HydrophobicContact CB-CB 4.14Å; C317-V342 HydrophobicContact CB-CG2 4.46Å; C317-V342 PolarHBondContact N-O 3.39Å; C317-V342 PolarHBondContact O-N 2.98Å
318D98.6Very high97.5Very high23 Ų2341.8 Ų41.812%0.12322%0.218CC..EExtended strand (participates in β ladder)trans-115.8114.3-177.5176.712.2000111M279 L316 K320 L341 Q360M279-D318 WeakPolarHBondContact CE-O 3.39Å; L316-D318 HydrophobicContact CD2-CB 4.32Å; L316-D318 HydrophobicContact CG-CB 4.38Å; D318-K320 WeakPolarHBondContact OD1-CB 3.38Å; D318-K320 PolarHBondContact OD1-N 2.76Å; D318-K320 VanDerWaalsContact OD2-CD 3.27Å; D318-K320 WeakPolarHBondContact OD2-CD 3.48Å; D318-K320 IonicContact OD2-NZ 3.1Å; D318-L341 HydrophobicContact CB-CD2 3.93Å; D318-L341 WeakPolarHBondContact OD1-CD2 3.27Å; D318-Q360 PolarHBondContact OD1-NE2 2.9Å
319Y98.7Very high97.6Very high0 Ų046.2 Ų46.20%024%0.24CC..  trans-96.524.7-178.5-65.7-92.6000113.2F271 M279 C317 M321 L322 P340 V342 V385 A388 D389 M392F271-Y319 WeakPolarHBondContact CE1-OH 3.44Å; M279-Y319 HydrophobicContact CE-CD1 3.85Å; M279-Y319 HydrophobicContact CE-CE1 3.78Å; M279-Y319 HydrophobicContact CE-CG 4.32Å; M279-Y319 HydrophobicContact CG-CE1 3.93Å; M279-Y319 HydrophobicContact SD-CE1 4.29Å; C317-Y319 HydrophobicContact CB-CE2 3.86Å; Y319-M321 PolarHBondContact O-N 2.91Å; Y319-L322 HydrophobicContact CD1-CD1 4.3Å; Y319-L322 WeakPolarHBondContact O-CB 3.39Å; Y319-L322 PolarHBondContact O-N 3.4Å; Y319-P340 WeakPolarHBondContact CB-O 3.3Å; Y319-P340 HydrophobicContact CD2-CG 3.71Å; Y319-P340 WeakPolarHBondContact CD2-O 3.48Å; Y319-P340 HydrophobicContact CE2-CG 4.41Å; Y319-P340 HydrophobicContact CG-CG 4.02Å; Y319-P340 PolarHBondContact N-O 3.47Å; Y319-V342 HydrophobicContact CE2-CG2 4.35Å; Y319-V385 HydrophobicContact CE2-CG1 4.14Å; Y319-A388 HydrophobicContact CD1-CB 3.86Å; Y319-A388 HydrophobicContact CE1-CB 4.33Å; Y319-A388 HydrophobicContact CG-CB 4.07Å; Y319-D389 HydrophobicContact CE1-CB 4.1Å; Y319-D389 WeakPolarHBondContact OH-CB 3.43Å; Y319-D389 PolarHBondContact OH-OD1 3.32Å; Y319-M392 HydrophobicContact CD1-CB 4.41Å; Y319-M392 HydrophobicContact CD1-CG 3.77Å; Y319-M392 HydrophobicContact CE1-CB 4.37Å; Y319-M392 HydrophobicContact CE1-CG 4.21Å
320K97.9Very high97.5Very high124 Ų12445.5 Ų45.554%0.53924%0.237SC..G310 helixtrans-50.3-24.2178.965.1179.3169.3-154.80115.8D318 L322 D323 Q360D318-K320 WeakPolarHBondContact OD1-CB 3.38Å; D318-K320 PolarHBondContact OD1-N 2.76Å; D318-K320 VanDerWaalsContact OD2-CD 3.27Å; D318-K320 WeakPolarHBondContact OD2-CD 3.48Å; D318-K320 IonicContact OD2-NZ 3.1Å; K320-L322 PolarHBondContact O-N 2.91Å; K320-D323 VanDerWaalsContact O-CB 3.24Å; K320-D323 WeakPolarHBondContact O-CB 3.04Å; K320-D323 PolarHBondContact O-N 3.18Å; K320-Q360 HydrophobicContact CB-CG 4.21Å
321M96.9Very high97.2Very high42 Ų4243.4 Ų43.421%0.20723%0.233CC..G310 helixtrans-60.5-28.8175.5-77.7-174.7-92.900112.3Y319 D323 M392 K469 A470Y319-M321 PolarHBondContact O-N 2.91Å; M321-D323 VanDerWaalsContact C-N 3.29Å; M321-D323 PolarHBondContact O-N 3.42Å; M321-M392 HydrophobicContact CB-CE 4.18Å; M321-M392 HydrophobicContact CB-SD 3.97Å; M321-M392 HydrophobicContact CE-CE 3.46Å; M321-M392 VanDerWaalsContact CE-CE 3.46Å; M321-M392 HydrophobicContact SD-CE 3.81Å; M321-K469 WeakPolarHBondContact O-CD 3.39Å; M321-K469 PolarHBondContact O-NZ 2.88Å; M321-A470 HydrophobicContact SD-CB 4.48Å
322L98.5Very high97.1Very high5 Ų540.6 Ų40.63%0.02624%0.242CC..G310 helixtrans-79-10.9176.4-56.3-176.5000113.4Y319 K320 G324 V325 L337 A338 A339 A388 M392 I466Y319-L322 HydrophobicContact CD1-CD1 4.3Å; Y319-L322 WeakPolarHBondContact O-CB 3.39Å; Y319-L322 PolarHBondContact O-N 3.4Å; K320-L322 PolarHBondContact O-N 2.91Å; L322-G324 PolarHBondContact O-N 3.25Å; L322-V325 VanDerWaalsContact O-CB 3.27Å; L322-V325 WeakPolarHBondContact O-CB 3.09Å; L322-V325 WeakPolarHBondContact O-CG2 3.18Å; L322-V325 PolarHBondContact O-N 3.3Å; L322-L337 HydrophobicContact CB-CD2 4.48Å; L322-L337 HydrophobicContact CD1-CD1 4.14Å; L322-L337 HydrophobicContact CD1-CG 4.43Å; L322-L337 HydrophobicContact CD2-CD2 4.29Å; L322-A338 WeakPolarHBondContact CD1-O 3.42Å; L322-A339 HydrophobicContact CB-CB 4.04Å; L322-A388 HydrophobicContact CD1-CB 3.5Å; L322-A388 VanDerWaalsContact CD1-CB 3.5Å; L322-M392 HydrophobicContact CD1-CG 4.05Å; L322-M392 HydrophobicContact CD2-CG 3.91Å; L322-M392 HydrophobicContact CD2-SD 3.53Å; L322-M392 VanDerWaalsContact CD2-SD 3.53Å; L322-M392 HydrophobicContact CG-CG 3.96Å; L322-M392 HydrophobicContact CG-SD 3.93Å; L322-I466 HydrophobicContact CD2-CD1 3.49Å; L322-I466 VanDerWaalsContact CD2-CD1 3.49Å; L322-I466 HydrophobicContact CD2-CG1 3.79Å
323D97.9Very high97Very high73 Ų7344.9 Ų44.939%0.3926%0.259SS..THydrogen-bonded Turntrans-65132.1-178.9-171.844.1000111.4K320 M321 V325 A339 Q360 K469K320-D323 VanDerWaalsContact O-CB 3.24Å; K320-D323 WeakPolarHBondContact O-CB 3.04Å; K320-D323 PolarHBondContact O-N 3.18Å; M321-D323 VanDerWaalsContact C-N 3.29Å; M321-D323 PolarHBondContact O-N 3.42Å; D323-V325 PolarHBondContact O-N 3.2Å; D323-A339 HydrophobicContact CB-CB 3.89Å; D323-Q360 HydrophobicContact CB-CG 3.86Å; D323-K469 PolarHBondContact O-NZ 2.92Å
324G96.5Very high97.1Very high74 Ų7447.6 Ų47.676%0.76327%0.271SS*.THydrogen-bonded Turntrans65.69.2-173.900000115.3L322 K326L322-G324 PolarHBondContact O-N 3.25Å; G324-K326 PolarHBondContact O-N 3.37Å
325V97.9Very high97.1Very high15 Ų1547.7 Ų47.79%0.09127%0.271CS..PPolyproline II helixtrans-72.8127.9172.1175.90000109.2L322 D323 A327 L337 T465 I466L322-V325 VanDerWaalsContact O-CB 3.27Å; L322-V325 WeakPolarHBondContact O-CB 3.09Å; L322-V325 WeakPolarHBondContact O-CG2 3.18Å; L322-V325 PolarHBondContact O-N 3.3Å; D323-V325 PolarHBondContact O-N 3.2Å; V325-A327 PolarHBondContact O-N 3.47Å; V325-L337 HydrophobicContact CB-CD2 4.1Å; V325-L337 HydrophobicContact CG1-CD2 3.86Å; V325-T465 HydrophobicContact CG2-CG2 4.09Å; V325-I466 HydrophobicContact CG1-CD1 4.1Å; V325-I466 HydrophobicContact CG1-CG1 4Å; V325-I466 HydrophobicContact CG2-CG1 3.88Å
326K97.4Very high97.1Very high125 Ų12551.2 Ų51.254%0.54329%0.285SS..PPolyproline II helixtrans-70.2120.1177-176.2178171.9-174.40110.2G324 E461 G462G324-K326 PolarHBondContact O-N 3.37Å; K326-E461 VanDerWaalsContact CD-OE2 3.25Å; K326-E461 WeakPolarHBondContact CD-OE2 3.19Å; K326-E461 IonicContact NZ-OE2 3.09Å; K326-E461 PolarHBondContact NZ-OE2 3.41Å; K326-G462 WeakPolarHBondContact O-CA 3.45Å
327A97.9Very high97Very high17 Ų1752.1 Ų52.114%0.1429%0.29CS..PPolyproline II helixtrans-73.1150.3174.400000111.7V325 Q334 Q335 L337 S457V325-A327 PolarHBondContact O-N 3.47Å; A327-Q334 PolarHBondContact O-NE2 3.47Å; A327-Q335 WeakPolarHBondContact CB-O 3.47Å; A327-L337 HydrophobicContact CB-CB 4.2Å; A327-S457 CarbonylContact C-O 3.46Å; A327-S457 WeakPolarHBondContact CA-O 3.25Å
328N97.7Very high97Very high20 Ų2052.3 Ų52.311%0.10729%0.292CS..PPolyproline II helixtrans-69.7164.4-175.1-165.314000112.8I330 Q334 Q335 T453 A456 S457N328-I330 WeakPolarHBondContact ND2-CG1 3.4Å; N328-Q334 PolarHBondContact O-NE2 3.32Å; N328-Q335 HydrophobicContact CB-CG 4.44Å; N328-Q335 VanDerWaalsContact O-CB 3.27Å; N328-Q335 WeakPolarHBondContact O-CB 3.49Å; N328-Q335 WeakPolarHBondContact O-CG 3.31Å; N328-Q335 PolarHBondContact O-N 3.22Å; N328-T453 PolarHBondContact ND2-O 2.61Å; N328-A456 WeakPolarHBondContact CB-O 3.38Å; N328-A456 PolarHBondContact ND2-O 3.17Å; N328-A456 VanDerWaalsContact ND2-O 3.12Å; N328-S457 WeakPolarHBondContact CB-O 3.18Å; N328-S457 PolarHBondContact N-O 2.59Å
329I97.1Very high97Very high98 Ų9851.5 Ų51.550%0.50329%0.288SS..EExtended strand (participates in β ladder)trans-120.3112.7169.2-60174.8000107.1K333I329-K333 WeakPolarHBondContact CA-O 3.42Å
330I95.3Very high97Very high8 Ų851.5 Ų51.54%0.04129%0.288CS..EExtended strand (participates in β ladder)trans-108.7122.9-179.2-59.3172.2000107.4N328 G332 K333 Q335 K454 T598 I624N328-I330 WeakPolarHBondContact ND2-CG1 3.4Å; I330-G332 PolarHBondContact O-N 2.93Å; I330-G332 VanDerWaalsContact O-N 3.17Å; I330-K333 PolarHBondContact N-O 3.22Å; I330-K333 WeakPolarHBondContact O-CA 3.24Å; I330-K333 WeakPolarHBondContact O-CB 3.32Å; I330-K333 PolarHBondContact O-N 3.32Å; I330-Q335 HydrophobicContact CB-CG 4.23Å; I330-Q335 HydrophobicContact CD1-CG 3.69Å; I330-Q335 HydrophobicContact CG1-CG 3.78Å; I330-K454 VanDerWaalsContact CG2-O 3.24Å; I330-K454 WeakPolarHBondContact CG2-O 3.45Å; I330-T598 HydrophobicContact CD1-CG2 4.3Å; I330-I624 HydrophobicContact CB-CD1 4.41Å; I330-I624 HydrophobicContact CD1-CD1 4.42Å; I330-I624 HydrophobicContact CG2-CD1 3.81Å; I330-I624 HydrophobicContact CG2-CG1 4.22Å
331D90.4Very high97.1Very high117 Ų11745.6 Ų45.663%0.62626%0.263SS*.THydrogen-bonded Turntrans49.940.3-177.9-70.1-17.9000114.3K233 K333K233-D331 IonicContact NZ-OD2 3.48Å; K233-D331 PolarHBondContact NZ-OD2 2.97Å; D331-K333 PolarHBondContact O-N 2.88Å
332G93Very high97.1Very high73 Ų7343.6 Ų43.675%0.75325%0.253SS*.THydrogen-bonded Turntrans75.32.9-178.400000114.5I330I330-G332 PolarHBondContact O-N 2.93Å; I330-G332 VanDerWaalsContact O-N 3.17Å
333K95.1Very high97.2Very high93 Ų9343.4 Ų43.440%0.40425%0.252SS..EExtended strand (participates in β ladder)trans-101.2126.3178-169.2171.7-172.3171.90111.7I329 I330 D331 Q335 E600I329-K333 WeakPolarHBondContact CA-O 3.42Å; I330-K333 PolarHBondContact N-O 3.22Å; I330-K333 WeakPolarHBondContact O-CA 3.24Å; I330-K333 WeakPolarHBondContact O-CB 3.32Å; I330-K333 PolarHBondContact O-N 3.32Å; D331-K333 PolarHBondContact O-N 2.88Å; K333-Q335 PolarHBondContact O-N 2.79Å; K333-Q335 PolarHBondContact O-NE2 3.35Å; K333-E600 HydrophobicContact CD-CG 4.35Å; K333-E600 WeakPolarHBondContact CD-OE2 3.36Å; K333-E600 WeakPolarHBondContact CE-OE2 3.43Å; K333-E600 IonicContact NZ-OE2 3.43Å; K333-E600 PolarHBondContact NZ-OE2 3.01Å
334Q97.6Very high97.2Very high84 Ų8439.9 Ų39.939%0.39323%0.233SC..EExtended strand (participates in β ladder)trans-61.7126.6174.2-176.260.757.900110.5A327 N328 Y336A327-Q334 PolarHBondContact O-NE2 3.47Å; N328-Q334 PolarHBondContact O-NE2 3.32Å; Q334-Y336 HydrophobicContact CG-CE1 4.33Å; Q334-Y336 HydrophobicContact CG-CE2 4.21Å
335Q98.3Very high97.2Very high1 Ų136.8 Ų36.81%0.00520%0.198CC..PPolyproline II helixtrans-94.4166.6169.1-52.1-53.9-63.800110.3A327 N328 I330 K333 T598 L599A327-Q335 WeakPolarHBondContact CB-O 3.47Å; N328-Q335 HydrophobicContact CB-CG 4.44Å; N328-Q335 VanDerWaalsContact O-CB 3.27Å; N328-Q335 WeakPolarHBondContact O-CB 3.49Å; N328-Q335 WeakPolarHBondContact O-CG 3.31Å; N328-Q335 PolarHBondContact O-N 3.22Å; I330-Q335 HydrophobicContact CB-CG 4.23Å; I330-Q335 HydrophobicContact CD1-CG 3.69Å; I330-Q335 HydrophobicContact CG1-CG 3.78Å; K333-Q335 PolarHBondContact O-N 2.79Å; K333-Q335 PolarHBondContact O-NE2 3.35Å; Q335-T598 WeakPolarHBondContact CB-OG1 3.44Å; Q335-T598 WeakPolarHBondContact CG-OG1 3.22Å; Q335-T598 VanDerWaalsContact OE1-CG2 3.27Å; Q335-T598 PolarHBondContact OE1-OG1 3.42Å; Q335-L599 CarbonylContact C-O 3.5Å; Q335-L599 WeakPolarHBondContact CA-O 3.26Å
336Y98.4Very high97.1Very high74 Ų7438.1 Ų38.129%0.2920%0.203SC..BIsolated β-bridgetrans-130.1145.3-177.5-64-91.5000111Q334 S457 L599 R601 P602Q334-Y336 HydrophobicContact CG-CE1 4.33Å; Q334-Y336 HydrophobicContact CG-CE2 4.21Å; Y336-S457 WeakPolarHBondContact O-CB 3.43Å; Y336-S457 PolarHBondContact O-OG 2.83Å; Y336-L599 PolarHBondContact N-O 3.34Å; Y336-R601 WeakPolarHBondContact CB-O 3.45Å; Y336-R601 WeakPolarHBondContact CD2-O 3.43Å; Y336-R601 VanDerWaalsContact CG-C 3.45Å; Y336-P602 VanDerWaalsContact CD1-CA 3.43Å; Y336-P602 HydrophobicContact CD1-CB 3.75Å; Y336-P602 HydrophobicContact CE1-CB 3.63Å; Y336-P602 HydrophobicContact CE1-CG 4.22Å; Y336-P602 HydrophobicContact CG-CB 4.43Å
337L97.8Very high96.8Very high29 Ų2934.7 Ų34.715%0.15219%0.193CC..  trans-136.8133.8179.1-172.962000108L322 V325 A327 N391L322-L337 HydrophobicContact CB-CD2 4.48Å; L322-L337 HydrophobicContact CD1-CD1 4.14Å; L322-L337 HydrophobicContact CD1-CG 4.43Å; L322-L337 HydrophobicContact CD2-CD2 4.29Å; V325-L337 HydrophobicContact CB-CD2 4.1Å; V325-L337 HydrophobicContact CG1-CD2 3.86Å; A327-L337 HydrophobicContact CB-CB 4.2Å; L337-N391 HydrophobicContact CD1-CB 4.16Å
338A98.4Very high96.2Very high4 Ų441.6 Ų41.63%0.03323%0.227CC..  trans-104.5163.8177.300000110.7L322 P340 F384 P603L322-A338 WeakPolarHBondContact CD1-O 3.42Å; A338-P340 WeakPolarHBondContact O-CD 3.48Å; A338-F384 HydrophobicContact CB-CB 4.25Å; A338-F384 HydrophobicContact CB-CD1 3.83Å; A338-F384 HydrophobicContact CB-CG 4.44Å; A338-P603 HydrophobicContact CB-CG 4.21Å
339A98.6Very high95.7Very high6 Ų645.3 Ų45.35%0.0525%0.247CC..  trans-125.467.7173.300000109.9L322 D323 L358 Q360L322-A339 HydrophobicContact CB-CB 4.04Å; D323-A339 HydrophobicContact CB-CB 3.89Å; A339-L358 CarbonylContact C-O 3.59Å; A339-L358 PolarHBondContact N-O 2.79Å; A339-Q360 HydrophobicContact CB-CG 4Å; A339-Q360 PolarHBondContact O-NE2 3.19Å
340P98.8Very high95.5Very high0 Ų046.5 Ų46.50%025%0.249CC..  trans-73.1159.9-167.425.9-32.9000114.8Y319 A338 Q357 L358 V385 A388Y319-P340 WeakPolarHBondContact CB-O 3.3Å; Y319-P340 HydrophobicContact CD2-CG 3.71Å; Y319-P340 WeakPolarHBondContact CD2-O 3.48Å; Y319-P340 HydrophobicContact CE2-CG 4.41Å; Y319-P340 HydrophobicContact CG-CG 4.02Å; Y319-P340 PolarHBondContact N-O 3.47Å; A338-P340 WeakPolarHBondContact O-CD 3.48Å; P340-Q357 CarbonylContact C-O 3.56Å; P340-Q357 WeakPolarHBondContact CA-O 3.48Å; P340-Q357 WeakPolarHBondContact CB-O 3.28Å; P340-L358 HydrophobicContact CB-CD2 4.31Å; P340-V385 HydrophobicContact CB-CG2 3.89Å; P340-V385 HydrophobicContact CG-CB 4.42Å; P340-V385 HydrophobicContact CG-CG2 3.97Å; P340-A388 HydrophobicContact CG-CB 3.71Å
341L98.8Very high95.6Very high0 Ų046.5 Ų46.50%025%0.249CC..EExtended strand (participates in β ladder)trans-114.8129.1163.8-67.9147.9000107.7P287 F290 L316 D318 I356 Q357P287-L341 HydrophobicContact CG-CD2 4.47Å; F290-L341 HydrophobicContact CB-CD1 4.12Å; F290-L341 HydrophobicContact CD1-CB 3.77Å; F290-L341 HydrophobicContact CD2-CB 4.3Å; F290-L341 HydrophobicContact CE1-CB 3.7Å; F290-L341 HydrophobicContact CE2-CB 4.27Å; F290-L341 HydrophobicContact CG-CB 4.07Å; F290-L341 HydrophobicContact CG-CD1 4.17Å; F290-L341 HydrophobicContact CZ-CB 3.97Å; F290-L341 WeakPolarHBondContact CZ-O 3.5Å; L316-L341 HydrophobicContact CD1-CD2 4.29Å; D318-L341 HydrophobicContact CB-CD2 3.93Å; D318-L341 WeakPolarHBondContact OD1-CD2 3.27Å; L341-I356 WeakPolarHBondContact O-CA 3.21Å; L341-Q357 HydrophobicContact CB-CB 4.46Å; L341-Q357 PolarHBondContact N-O 3.33Å; L341-Q357 PolarHBondContact O-N 2.84Å
342V98.9Very high95.9Very high0 Ų043.4 Ų43.40%023%0.231CC..EExtended strand (participates in β ladder)trans-123.4118.9-177.3-172.60000109.2F267 F271 L316 C317 Y319 L344 I356 V385F267-V342 HydrophobicContact CE1-CG1 4.05Å; F271-V342 HydrophobicContact CE2-CG1 4.47Å; L316-V342 WeakPolarHBondContact CA-O 3.47Å; C317-V342 HydrophobicContact CB-CB 4.14Å; C317-V342 HydrophobicContact CB-CG2 4.46Å; C317-V342 PolarHBondContact N-O 3.39Å; C317-V342 PolarHBondContact O-N 2.98Å; Y319-V342 HydrophobicContact CE2-CG2 4.35Å; V342-L344 HydrophobicContact CG1-CD1 4.4Å; V342-L344 HydrophobicContact CG1-CG 4.22Å; V342-I356 HydrophobicContact CG1-CG1 4.2Å; V342-V385 HydrophobicContact CG2-CB 4.31Å; V342-V385 HydrophobicContact CG2-CG1 3.66Å; V342-V385 HydrophobicContact CG2-CG2 3.6Å
343L98.8Very high96.2Very high0 Ų040 Ų400%020%0.196CC..EExtended strand (participates in β ladder)trans-96.9128.2174.3-160.167.8000109.4L286 F290 V292 L305 I314 I354 A355L286-L343 HydrophobicContact CD2-CD1 3.78Å; L286-L343 HydrophobicContact CD2-CD2 4.05Å; F290-L343 HydrophobicContact CE1-CB 3.78Å; F290-L343 HydrophobicContact CE1-CD1 4.46Å; F290-L343 HydrophobicContact CZ-CB 4.05Å; V292-L343 HydrophobicContact CG1-CD2 4.14Å; L305-L343 HydrophobicContact CD2-CD2 3.85Å; I314-L343 HydrophobicContact CG2-CD1 3.45Å; I314-L343 VanDerWaalsContact CG2-CD1 3.45Å; I314-L343 HydrophobicContact CG2-CD2 4.49Å; I314-L343 HydrophobicContact CG2-CG 3.94Å; L343-I354 HydrophobicContact CB-CG1 4.01Å; L343-I354 HydrophobicContact CD2-CD1 3.64Å; L343-I354 HydrophobicContact CD2-CG1 4.01Å; L343-I354 HydrophobicContact CG-CD1 3.91Å; L343-I354 HydrophobicContact CG-CG1 3.95Å; L343-I354 WeakPolarHBondContact O-CG1 3.46Å; L343-I354 PolarHBondContact O-N 3.29Å; L343-A355 HydrophobicContact CB-CB 4.03Å; L343-A355 PolarHBondContact N-O 3.49Å; L343-A355 PolarHBondContact O-N 3Å
344L98.6Very high96.3Very high0 Ų036.5 Ų36.50%018%0.181CC..EExtended strand (participates in β ladder)trans-120.6144.7179.9-64.3137.6000109.7F271 I280 I314 F315 V342 L351 M352 P353F271-L344 HydrophobicContact CD2-CD1 3.86Å; F271-L344 HydrophobicContact CD2-CD2 4.04Å; F271-L344 HydrophobicContact CE2-CD1 4.19Å; F271-L344 HydrophobicContact CE2-CD2 4.19Å; I280-L344 HydrophobicContact CD1-CD1 4.11Å; I280-L344 HydrophobicContact CG1-CD1 4.48Å; I314-L344 WeakPolarHBondContact CA-O 3.34Å; F315-L344 HydrophobicContact CB-CB 4.15Å; F315-L344 PolarHBondContact N-O 3.09Å; F315-L344 PolarHBondContact O-N 2.75Å; V342-L344 HydrophobicContact CG1-CD1 4.4Å; V342-L344 HydrophobicContact CG1-CG 4.22Å; L344-L351 HydrophobicContact CD2-CB 4.44Å; L344-M352 CarbonylContact C-O 3.53Å; L344-M352 VanDerWaalsContact CA-O 3.29Å; L344-M352 WeakPolarHBondContact CA-O 3.32Å; L344-P353 HydrophobicContact CD2-CB 4.19Å
345H97.3Very high96.4Very high8 Ų832.5 Ų32.54%0.03716%0.162CC..EExtended strand (participates in β ladder)trans-121.9128.7176.2-178.5-151.7000110.4F298 E308 N313 I314 T347 M352 I354F298-H345 AromaticContact CE1-CE1 3.87Å; F298-H345 AromaticContact CE1-ND1 3.86Å; E308-H345 IonicContact OE2-CD2 2.96Å; E308-H345 IonicContact OE2-CE1 3.47Å; E308-H345 IonicContact OE2-NE2 3.86Å; E308-H345 PolarHBondContact OE2-NE2 2.96Å; N313-H345 CarbonylContact O-C 3.56Å; N313-H345 WeakPolarHBondContact O-CA 3.39Å; N313-H345 PolarHBondContact O-CD2 2.96Å; I314-H345 HydrophobicContact CD1-CB 4.03Å; H345-T347 PolarHBondContact O-N 2.96Å; H345-M352 PolarHBondContact N-O 3.4Å; H345-M352 PolarHBondContact O-N 3.49Å; H345-I354 HydrophobicContact CB-CD1 4Å; H345-I354 HydrophobicContact CB-CG1 4.32Å; H345-I354 HydrophobicContact CB-CG2 3.75Å
346K95.8Very high96.4Very high44 Ų4432.4 Ų32.419%0.19116%0.162CC..EExtended strand (participates in β ladder)trans-76.7111.9172.6-171.8-174.372.6-1750110.2N313 F315 K350 L351 P494N313-K346 HydrophobicContact CB-CB 4.37Å; N313-K346 PolarHBondContact O-N 3.36Å; N313-K346 WeakPolarHBondContact OD1-CE 3.49Å; N313-K346 PolarHBondContact OD1-NZ 3.25Å; F315-K346 HydrophobicContact CE2-CB 4.02Å; K346-K350 CarbonylContact C-O 3.54Å; K346-K350 VanDerWaalsContact CA-O 3.27Å; K346-K350 WeakPolarHBondContact CA-O 3.27Å; K346-L351 HydrophobicContact CB-CD2 4.08Å; K346-P494 HydrophobicContact CD-CG 4.12Å
347T90.2Very high96.4Very high53 Ų5329 Ų2933%0.32515%0.149SC..EExtended strand (participates in β ladder)trans-129.3126.6175.919.30000109.4H345 D349 K350 M352H345-T347 PolarHBondContact O-N 2.96Å; T347-D349 VanDerWaalsContact C-N 3.29Å; T347-D349 PolarHBondContact O-N 3.45Å; T347-K350 PolarHBondContact N-O 3.17Å; T347-K350 WeakPolarHBondContact O-CB 3.45Å; T347-K350 PolarHBondContact O-N 2.8Å; T347-M352 VanDerWaalsContact OG1-CG 3.27Å; T347-M352 WeakPolarHBondContact OG1-CG 3.49Å
348D86.3Confident96.5Very high161 Ų16127.6 Ų27.686%0.86114%0.142SC*.THydrogen-bonded Turntrans46.748.9-179.1-57.5-32.5000113.6K350D348-K350 PolarHBondContact O-N 3.1Å; D348-K350 VanDerWaalsContact O-N 3.09Å
349D87.3Confident96.5Very high98 Ų9830.5 Ų30.552%0.52415%0.154SC..THydrogen-bonded Turntrans59.114.7-177.1-58.7-34.2000116T347 P494 N495T347-D349 VanDerWaalsContact C-N 3.29Å; T347-D349 PolarHBondContact O-N 3.45Å; D349-P494 HydrophobicContact CB-CB 4.23Å; D349-P494 HydrophobicContact CB-CG 3.9Å; D349-P494 WeakPolarHBondContact OD1-CG 3.37Å; D349-N495 PolarHBondContact O-ND2 3.38Å
350K93.1Very high96.4Very high123 Ų12331 Ų3154%0.53515%0.154SC..EExtended strand (participates in β ladder)trans-108.7148.5170.7-61.7-177.4-179.8-174.50110.7K346 T347 D348 M352K346-K350 CarbonylContact C-O 3.54Å; K346-K350 VanDerWaalsContact CA-O 3.27Å; K346-K350 WeakPolarHBondContact CA-O 3.27Å; T347-K350 PolarHBondContact N-O 3.17Å; T347-K350 WeakPolarHBondContact O-CB 3.45Å; T347-K350 PolarHBondContact O-N 2.8Å; D348-K350 PolarHBondContact O-N 3.1Å; D348-K350 VanDerWaalsContact O-N 3.09Å; K350-M352 HydrophobicContact CB-SD 4.28Å
351L96.3Very high96.4Very high8 Ų836.9 Ų36.94%0.04219%0.185CC..EExtended strand (participates in β ladder)trans-94118.1169.8-71.7176.6000109.4G268 L272 I280 F315 L344 K346G268-L351 WeakPolarHBondContact CA-O 3.33Å; L272-L351 HydrophobicContact CD1-CD1 3.53Å; L272-L351 HydrophobicContact CD1-CG 4.25Å; L272-L351 HydrophobicContact CD2-CD1 3.84Å; L272-L351 HydrophobicContact CG-CD1 3.6Å; I280-L351 HydrophobicContact CD1-CD1 3.44Å; I280-L351 VanDerWaalsContact CD1-CD1 3.44Å; F315-L351 HydrophobicContact CD2-CD2 3.51Å; F315-L351 HydrophobicContact CE2-CD2 3.74Å; F315-L351 HydrophobicContact CG-CD2 4.21Å; L344-L351 HydrophobicContact CD2-CB 4.44Å; K346-L351 HydrophobicContact CB-CD2 4.08Å
352M97.6Very high96.2Very high52 Ų5238.5 Ų38.526%0.25620%0.195SC..EExtended strand (participates in β ladder)trans-109.8124.8-179.4-59.4-56.4-66.200109.7D264 L344 H345 T347 K350 I354D264-M352 HydrophobicContact CB-CE 3.64Å; L344-M352 CarbonylContact C-O 3.53Å; L344-M352 VanDerWaalsContact CA-O 3.29Å; L344-M352 WeakPolarHBondContact CA-O 3.32Å; H345-M352 PolarHBondContact N-O 3.4Å; H345-M352 PolarHBondContact O-N 3.49Å; T347-M352 VanDerWaalsContact OG1-CG 3.27Å; T347-M352 WeakPolarHBondContact OG1-CG 3.49Å; K350-M352 HydrophobicContact CB-SD 4.28Å; M352-I354 PolarHBondContact O-N 3.42Å
353P98.4Very high96Very high2 Ų240.5 Ų40.51%0.01321%0.212CC..EExtended strand (participates in β ladder)trans-64.4128.5170.728.7-37.3000110D264 F267 L344 P371 W378D264-P353 HydrophobicContact CB-CG 3.78Å; D264-P353 WeakPolarHBondContact O-CD 3.28Å; F267-P353 HydrophobicContact CD1-CB 3.81Å; F267-P353 HydrophobicContact CD1-CG 3.66Å; F267-P353 HydrophobicContact CE1-CB 3.84Å; F267-P353 HydrophobicContact CE1-CG 4.19Å; L344-P353 HydrophobicContact CD2-CB 4.19Å; P353-P371 WeakPolarHBondContact O-CG 3.33Å; P353-W378 HydrophobicContact CB-CH2 4.08Å; P353-W378 HydrophobicContact CB-CZ2 3.79Å; P353-W378 HydrophobicContact CG-CZ2 3.82Å
354I98.1Very high95.8Very high19 Ų1949.9 Ų49.910%0.09726%0.256CS..EExtended strand (participates in β ladder)trans-116.1-21.9-17956.6163.6000113.2V297 L305 I314 L343 H345 M352 F370 P371V297-I354 HydrophobicContact CB-CD1 4.16Å; V297-I354 HydrophobicContact CG1-CB 4.37Å; V297-I354 HydrophobicContact CG1-CD1 4.16Å; V297-I354 HydrophobicContact CG1-CG1 4.47Å; V297-I354 HydrophobicContact CG2-CD1 4.46Å; L305-I354 HydrophobicContact CD2-CD1 4.27Å; I314-I354 HydrophobicContact CD1-CD1 4.26Å; L343-I354 HydrophobicContact CB-CG1 4.01Å; L343-I354 HydrophobicContact CD2-CD1 3.64Å; L343-I354 HydrophobicContact CD2-CG1 4.01Å; L343-I354 HydrophobicContact CG-CD1 3.91Å; L343-I354 HydrophobicContact CG-CG1 3.95Å; L343-I354 WeakPolarHBondContact O-CG1 3.46Å; L343-I354 PolarHBondContact O-N 3.29Å; H345-I354 HydrophobicContact CB-CD1 4Å; H345-I354 HydrophobicContact CB-CG1 4.32Å; H345-I354 HydrophobicContact CB-CG2 3.75Å; M352-I354 PolarHBondContact O-N 3.42Å; I354-F370 WeakPolarHBondContact O-CD1 3.44Å; I354-P371 WeakPolarHBondContact O-CD 3.41Å
355A98.6Very high95.7Very high0 Ų053.9 Ų53.90%028%0.277CS..EExtended strand (participates in β ladder)trans-154.5143.8174.800000111.8F290 V292 V297 L343 V368 F369 F370F290-A355 HydrophobicContact CE2-CB 4.36Å; F290-A355 HydrophobicContact CZ-CB 4.04Å; V292-A355 HydrophobicContact CG1-CB 4.31Å; V292-A355 HydrophobicContact CG2-CB 3.88Å; V297-A355 HydrophobicContact CG1-CB 4.4Å; L343-A355 HydrophobicContact CB-CB 4.03Å; L343-A355 PolarHBondContact N-O 3.49Å; L343-A355 PolarHBondContact O-N 3Å; A355-V368 HydrophobicContact CB-CG1 3.9Å; A355-F369 CarbonylContact C-O 3.51Å; A355-F369 WeakPolarHBondContact CA-O 3.22Å; A355-F370 HydrophobicContact CB-CD1 4.07Å; A355-F370 HydrophobicContact CB-CE1 3.87Å
356I98.9Very high95.7Very high0 Ų053.8 Ų53.80%028%0.277CS..EExtended strand (participates in β ladder)trans-133.8124.2174.7-64.3172.4000109.8F267 L341 V342 L358 V368 F369 W378 A381 K382 V385F267-I356 HydrophobicContact CE1-CD1 4.48Å; F267-I356 HydrophobicContact CZ-CD1 4.21Å; L341-I356 WeakPolarHBondContact O-CA 3.21Å; V342-I356 HydrophobicContact CG1-CG1 4.2Å; I356-L358 HydrophobicContact CG2-CD2 3.6Å; I356-L358 HydrophobicContact CG2-CG 4.37Å; I356-V368 CarbonylContact O-C 3.55Å; I356-V368 WeakPolarHBondContact O-CA 3.45Å; I356-F369 PolarHBondContact N-O 3.39Å; I356-F369 PolarHBondContact O-N 3.45Å; I356-W378 HydrophobicContact CB-CH2 4.5Å; I356-W378 HydrophobicContact CB-CZ3 4.06Å; I356-W378 HydrophobicContact CD1-CE3 4.36Å; I356-W378 HydrophobicContact CD1-CH2 3.54Å; I356-W378 HydrophobicContact CD1-CZ2 4.24Å; I356-W378 HydrophobicContact CD1-CZ3 3.61Å; I356-W378 HydrophobicContact CG1-CH2 3.72Å; I356-W378 HydrophobicContact CG1-CZ3 3.75Å; I356-A381 HydrophobicContact CB-CB 4.4Å; I356-A381 HydrophobicContact CD1-CB 4.39Å; I356-A381 HydrophobicContact CG2-CB 4.14Å; I356-K382 HydrophobicContact CD1-CG 3.71Å; I356-V385 HydrophobicContact CD1-CG2 4.04Å; I356-V385 HydrophobicContact CG1-CG2 4.36Å; I356-V385 HydrophobicContact CG2-CG2 3.7Å
357Q98.7Very high95.7Very high1 Ų152.8 Ų52.81%0.00528%0.275CS..EExtended strand (participates in β ladder)trans-112.4127.7167.8-171.2-178.7-76.500108.4N289 F290 P340 L341 K359 N366 V368N289-Q357 PolarHBondContact O-NE2 3.46Å; F290-Q357 HydrophobicContact CD2-CB 3.84Å; F290-Q357 HydrophobicContact CE2-CB 3.58Å; F290-Q357 HydrophobicContact CZ-CB 4.49Å; P340-Q357 CarbonylContact C-O 3.56Å; P340-Q357 WeakPolarHBondContact CA-O 3.48Å; P340-Q357 WeakPolarHBondContact CB-O 3.28Å; L341-Q357 HydrophobicContact CB-CB 4.46Å; L341-Q357 PolarHBondContact N-O 3.33Å; L341-Q357 PolarHBondContact O-N 2.84Å; Q357-K359 WeakPolarHBondContact CG-O 3.37Å; Q357-K359 PolarHBondContact NE2-O 3.43Å; Q357-N366 WeakPolarHBondContact CG-ND2 3.07Å; Q357-V368 HydrophobicContact CB-CG2 4.25Å; Q357-V368 HydrophobicContact CG-CG2 4.3Å
358L98.6Very high96.1Very high1 Ų151 Ų511%0.00526%0.264CS..SBendtrans-86.7-19.7-167.7-64.5-179.1000114.8A339 P340 I356 N366 F369 A381 F384 P603 P604A339-L358 CarbonylContact C-O 3.59Å; A339-L358 PolarHBondContact N-O 2.79Å; P340-L358 HydrophobicContact CB-CD2 4.31Å; I356-L358 HydrophobicContact CG2-CD2 3.6Å; I356-L358 HydrophobicContact CG2-CG 4.37Å; L358-N366 PolarHBondContact N-OD1 3.32Å; L358-F369 HydrophobicContact CD1-CD2 4.32Å; L358-F369 HydrophobicContact CD1-CE2 3.8Å; L358-F369 HydrophobicContact CG-CD2 4.26Å; L358-F369 HydrophobicContact CG-CE2 4.08Å; L358-A381 HydrophobicContact CD2-CB 4.39Å; L358-F384 HydrophobicContact CD1-CB 4.27Å; L358-F384 HydrophobicContact CD1-CD2 4.16Å; L358-F384 HydrophobicContact CD1-CG 4.29Å; L358-F384 HydrophobicContact CD2-CB 3.66Å; L358-P603 HydrophobicContact CB-CB 4.24Å; L358-P603 HydrophobicContact CD1-CB 3.97Å; L358-P604 HydrophobicContact CD1-CG 3.75Å
359K98.1Very high96.7Very high65 Ų6543.4 Ų43.428%0.28322%0.223SC..SBendtrans-122.1157.5173.3-43.3170.4-173.1154.60110.4Q357 D365 N366Q357-K359 WeakPolarHBondContact CG-O 3.37Å; Q357-K359 PolarHBondContact NE2-O 3.43Å; K359-D365 PolarHBondContact NZ-O 3.45Å; K359-D365 VanDerWaalsContact NZ-O 3.1Å; K359-D365 IonicContact NZ-OD2 3.69Å; K359-D365 PolarHBondContact NZ-OD2 2.67Å; K359-N366 WeakPolarHBondContact CB-ND2 3.23Å; K359-N366 HydrophobicContact CD-CB 4.17Å; K359-N366 PolarHBondContact N-OD1 3.14Å; K359-N366 PolarHBondContact O-ND2 3.46Å
360Q98.1Very high97.2Very high15 Ų1539.7 Ų39.77%0.0720%0.203CC..SBendtrans-71-29.5-179.2-71-66.7-45.700113.8N289 D318 K320 D323 A339N289-Q360 WeakPolarHBondContact CB-O 3.43Å; N289-Q360 PolarHBondContact ND2-O 3.47Å; N289-Q360 PolarHBondContact ND2-OE1 2.85Å; D318-Q360 PolarHBondContact OD1-NE2 2.9Å; K320-Q360 HydrophobicContact CB-CG 4.21Å; D323-Q360 HydrophobicContact CB-CG 3.86Å; A339-Q360 HydrophobicContact CB-CG 4Å; A339-Q360 PolarHBondContact O-NE2 3.19Å
361I97.4Very high97.4Very high124 Ų12436.2 Ų36.264%0.63619%0.193SC*.SBendtrans-97.3119-176.8-57.2176.3000109.1A363 N366I361-A363 PolarHBondContact O-N 2.71Å; I361-N366 PolarHBondContact O-ND2 3.42Å
362P95.9Very high97.4Very high34 Ų3439.8 Ų39.822%0.22122%0.215CC..  trans-61.4135.3173.9-23.133.3000112N289 Q291N289-P362 HydrophobicContact CB-CG 4.45Å; N289-P362 VanDerWaalsContact O-CG 3.23Å; N289-P362 WeakPolarHBondContact O-CG 3.41Å; Q291-P362 HydrophobicContact CG-CB 3.74Å; Q291-P362 HydrophobicContact CG-CG 3.79Å
363A95.1Very high97.4Very high43 Ų4339.2 Ų39.236%0.35521%0.213SC..BIsolated β-bridgetrans-160.5163.2179.500000110.3I361 D365 N366I361-A363 PolarHBondContact O-N 2.71Å; A363-D365 WeakPolarHBondContact CB-OD1 3.47Å; A363-D365 PolarHBondContact O-N 3.16Å; A363-N366 HydrophobicContact CB-CB 4.2Å; A363-N366 CarbonylContact O-C 3.6Å; A363-N366 PolarHBondContact O-N 3.41Å
364E93.8Very high97.4Very high196 Ų19641.5 Ų41.592%0.91623%0.229SC*.THydrogen-bonded Turntrans-58.9-32.6174.7-169.2-178.9172.300111.8N366E364-N366 VanDerWaalsContact C-N 3.31Å
365D95.6Very high97.3Very high84 Ų8446.2 Ų46.245%0.44925%0.251SS..THydrogen-bonded Turntrans-91.115.5175.980.5-46.8000113.6K359 A363 S605K359-D365 PolarHBondContact NZ-O 3.45Å; K359-D365 VanDerWaalsContact NZ-O 3.1Å; K359-D365 IonicContact NZ-OD2 3.69Å; K359-D365 PolarHBondContact NZ-OD2 2.67Å; A363-D365 WeakPolarHBondContact CB-OD1 3.47Å; A363-D365 PolarHBondContact O-N 3.16Å; D365-S605 CarbonylContact C-O 3.57Å; D365-S605 WeakPolarHBondContact CA-O 3.13Å; D365-S605 WeakPolarHBondContact O-CA 3.35Å
366N97.3Very high97.2Very high6 Ų648.6 Ų48.63%0.03226%0.26CS..BIsolated β-bridgetrans-13766.1174.5-176.634.4000109.9Q357 L358 K359 I361 A363 E364Q357-N366 WeakPolarHBondContact CG-ND2 3.07Å; L358-N366 PolarHBondContact N-OD1 3.32Å; K359-N366 WeakPolarHBondContact CB-ND2 3.23Å; K359-N366 HydrophobicContact CD-CB 4.17Å; K359-N366 PolarHBondContact N-OD1 3.14Å; K359-N366 PolarHBondContact O-ND2 3.46Å; I361-N366 PolarHBondContact O-ND2 3.42Å; A363-N366 HydrophobicContact CB-CB 4.2Å; A363-N366 CarbonylContact O-C 3.6Å; A363-N366 PolarHBondContact O-N 3.41Å; E364-N366 VanDerWaalsContact C-N 3.31Å
367P97.3Very high97.2Very high24 Ų2448.7 Ų48.716%0.15626%0.26CS..PPolyproline II helixtrans-66152.7-179.329.2-35.6000111.4F369 S605 K607P367-F369 HydrophobicContact CG-CE1 4.35Å; P367-F369 HydrophobicContact CG-CE2 3.86Å; P367-F369 HydrophobicContact CG-CZ 3.65Å; P367-F369 WeakPolarHBondContact O-CD2 3.31Å; P367-F369 WeakPolarHBondContact O-CE2 3.41Å; P367-S605 WeakPolarHBondContact CD-O 3.31Å; P367-K607 HydrophobicContact CB-CG 4.16Å; P367-K607 HydrophobicContact CG-CG 4.28Å
368V98.3Very high97.2Very high16 Ų1649.4 Ų49.410%0.09726%0.263CS..EExtended strand (participates in β ladder)trans-84.3118.8167.7-177.70000108.9F290 V292 A355 I356 Q357 F370 K607F290-V368 HydrophobicContact CE2-CG1 4.07Å; F290-V368 HydrophobicContact CE2-CG2 4.47Å; V292-V368 HydrophobicContact CG2-CG1 4.09Å; A355-V368 HydrophobicContact CB-CG1 3.9Å; I356-V368 CarbonylContact O-C 3.55Å; I356-V368 WeakPolarHBondContact O-CA 3.45Å; Q357-V368 HydrophobicContact CB-CG2 4.25Å; Q357-V368 HydrophobicContact CG-CG2 4.3Å; V368-F370 HydrophobicContact CB-CE2 4.31Å; V368-F370 HydrophobicContact CB-CZ 3.89Å; V368-F370 HydrophobicContact CG1-CD1 4.49Å; V368-F370 HydrophobicContact CG1-CE1 3.7Å; V368-F370 HydrophobicContact CG1-CE2 4.25Å; V368-F370 HydrophobicContact CG1-CZ 3.53Å; V368-F370 WeakPolarHBondContact O-CE2 3.33Å; V368-K607 WeakPolarHBondContact O-CE 3.46Å; V368-K607 PolarHBondContact O-NZ 2.79Å
369F98.4Very high97.2Very high0 Ų049.7 Ų49.70%026%0.264CS..EExtended strand (participates in β ladder)trans-84.9144.9177.3-61.7-90.2000111.4A355 I356 L358 P367 D373 D377 W378 A381 P604 K607A355-F369 CarbonylContact C-O 3.51Å; A355-F369 WeakPolarHBondContact CA-O 3.22Å; I356-F369 PolarHBondContact N-O 3.39Å; I356-F369 PolarHBondContact O-N 3.45Å; L358-F369 HydrophobicContact CD1-CD2 4.32Å; L358-F369 HydrophobicContact CD1-CE2 3.8Å; L358-F369 HydrophobicContact CG-CD2 4.26Å; L358-F369 HydrophobicContact CG-CE2 4.08Å; P367-F369 HydrophobicContact CG-CE1 4.35Å; P367-F369 HydrophobicContact CG-CE2 3.86Å; P367-F369 HydrophobicContact CG-CZ 3.65Å; P367-F369 WeakPolarHBondContact O-CD2 3.31Å; P367-F369 WeakPolarHBondContact O-CE2 3.41Å; F369-D373 VanDerWaalsContact CA-OD2 3.28Å; F369-D373 WeakPolarHBondContact CA-OD2 3.36Å; F369-D377 HydrophobicContact CD1-CB 4.12Å; F369-D377 HydrophobicContact CE1-CB 4.22Å; F369-W378 HydrophobicContact CB-CE3 4.05Å; F369-W378 HydrophobicContact CB-CZ3 4.16Å; F369-W378 WeakPolarHBondContact O-CZ3 3.27Å; F369-A381 HydrophobicContact CB-CB 3.77Å; F369-A381 HydrophobicContact CD1-CB 4.27Å; F369-A381 HydrophobicContact CD2-CB 3.9Å; F369-A381 HydrophobicContact CG-CB 3.71Å; F369-P604 HydrophobicContact CE1-CB 4.49Å; F369-P604 HydrophobicContact CE1-CG 4.18Å; F369-P604 HydrophobicContact CE2-CG 4.13Å; F369-P604 HydrophobicContact CZ-CB 3.93Å; F369-P604 HydrophobicContact CZ-CG 3.53Å; F369-K607 HydrophobicContact CD1-CG 4.21Å; F369-K607 HydrophobicContact CE1-CG 3.99Å
370F98Very high97.2Very high20 Ų2046.8 Ų46.89%0.08825%0.252CS..  trans-129.5156.1-179.5-55.8-74.8000110.9M296 V297 I354 A355 V368 T372 D373M296-F370 HydrophobicContact CB-CE1 3.77Å; M296-F370 HydrophobicContact CB-CE2 4.3Å; M296-F370 HydrophobicContact CB-CZ 3.61Å; M296-F370 HydrophobicContact CG-CZ 4.03Å; M296-F370 HydrophobicContact SD-CE2 4.43Å; M296-F370 HydrophobicContact SD-CZ 3.73Å; V297-F370 HydrophobicContact CG1-CD1 4.24Å; V297-F370 HydrophobicContact CG1-CE1 4.05Å; I354-F370 WeakPolarHBondContact O-CD1 3.44Å; A355-F370 HydrophobicContact CB-CD1 4.07Å; A355-F370 HydrophobicContact CB-CE1 3.87Å; V368-F370 HydrophobicContact CB-CE2 4.31Å; V368-F370 HydrophobicContact CB-CZ 3.89Å; V368-F370 HydrophobicContact CG1-CD1 4.49Å; V368-F370 HydrophobicContact CG1-CE1 3.7Å; V368-F370 HydrophobicContact CG1-CE2 4.25Å; V368-F370 HydrophobicContact CG1-CZ 3.53Å; V368-F370 WeakPolarHBondContact O-CE2 3.33Å; F370-T372 PolarHBondContact O-N 3.42Å; F370-D373 PolarHBondContact N-OD2 3.22Å; F370-D373 WeakPolarHBondContact O-CB 3.5Å; F370-D373 PolarHBondContact O-N 2.94Å
371P97.2Very high97.3Very high51 Ų5146.1 Ų46.133%0.33125%0.249SC..THydrogen-bonded Turntrans-56.7-19.8174-24.131.7000114.7P353 I354 W378P353-P371 WeakPolarHBondContact O-CG 3.33Å; I354-P371 WeakPolarHBondContact O-CD 3.41Å; P371-W378 HydrophobicContact CB-CZ2 4.26Å; P371-W378 HydrophobicContact CG-CH2 4Å; P371-W378 HydrophobicContact CG-CZ2 3.59Å
372T95.9Very high97.4Very high83 Ų8340.6 Ų40.651%0.50922%0.22SC..THydrogen-bonded Turntrans-90.6-1.317967.80000114.4K299 F370K299-T372 HydrophobicContact CD-CG2 4.38Å; K299-T372 WeakPolarHBondContact CE-OG1 3.31Å; K299-T372 PolarHBondContact NZ-OG1 3.43Å; F370-T372 PolarHBondContact O-N 3.42Å
373D97.4Very high97.5Very high40 Ų4039.1 Ų39.121%0.21421%0.21CC..SBendtrans-69.5-179.8169.7-65.4-31.7000110.1F369 F370 D377 K607F369-D373 VanDerWaalsContact CA-OD2 3.28Å; F369-D373 WeakPolarHBondContact CA-OD2 3.36Å; F370-D373 PolarHBondContact N-OD2 3.22Å; F370-D373 WeakPolarHBondContact O-CB 3.5Å; F370-D373 PolarHBondContact O-N 2.94Å; D373-D377 HydrophobicContact CB-CB 4.22Å; D373-K607 VanDerWaalsContact CG-NZ 3.27Å; D373-K607 IonicContact OD1-NZ 3.66Å; D373-K607 PolarHBondContact OD1-NZ 2.82Å; D373-K607 VanDerWaalsContact OD2-CE 3.22Å; D373-K607 WeakPolarHBondContact OD2-CE 3.36Å; D373-K607 IonicContact OD2-NZ 3.91Å; D373-K607 PolarHBondContact OD2-NZ 2.95Å
374S97.6Very high97.7Very high49 Ų4937 Ų3734%0.34319%0.193SC..  trans-60.8150.917780.40000111.1W376 D377 W378S374-W376 PolarHBondContact O-N 3.15Å; S374-W376 VanDerWaalsContact O-N 3.11Å; S374-D377 WeakPolarHBondContact CB-OD2 3.49Å; S374-D377 PolarHBondContact O-N 3.1Å; S374-D377 VanDerWaalsContact O-N 3.1Å; S374-D377 PolarHBondContact OG-N 2.99Å; S374-D377 PolarHBondContact OG-OD2 3.42Å; S374-W378 PolarHBondContact O-N 2.92Å
375E97Very high97.9Very high118 Ų11827.7 Ų27.755%0.55115%0.15SC*.Hα-helixtrans-47.3-45.7179.9-179.5-173169.100111.5K262 L379K262-E375 IonicContact NZ-OE1 3.6Å; E375-L379 WeakPolarHBondContact O-CB 3.36Å; E375-L379 PolarHBondContact O-N 3.32Å
376W97.5Very high98.1Very high50 Ų5024.1 Ų24.119%0.18913%0.13CC..Hα-helixtrans-77.7-32.8-175.2-60.6112.8000113.6I239 S374 L379 L380 A610 E612 L615I239-W376 HydrophobicContact CD1-CH2 4.34Å; I239-W376 HydrophobicContact CD1-CZ3 4.46Å; S374-W376 PolarHBondContact O-N 3.15Å; S374-W376 VanDerWaalsContact O-N 3.11Å; W376-L379 HydrophobicContact CE3-CD2 4.15Å; W376-L379 HydrophobicContact CZ3-CD2 3.91Å; W376-L380 WeakPolarHBondContact O-CB 3.39Å; W376-L380 PolarHBondContact O-N 3.37Å; W376-A610 HydrophobicContact CB-CB 3.81Å; W376-A610 WeakPolarHBondContact CB-O 3.41Å; W376-E612 HydrophobicContact CD2-CB 4.21Å; W376-E612 HydrophobicContact CE3-CB 4.3Å; W376-E612 HydrophobicContact CH2-CB 3.55Å; W376-E612 HydrophobicContact CH2-CG 3.48Å; W376-E612 VanDerWaalsContact CH2-CG 3.48Å; W376-E612 HydrophobicContact CZ2-CB 3.45Å; W376-E612 VanDerWaalsContact CZ2-CB 3.45Å; W376-E612 HydrophobicContact CZ2-CG 3.87Å; W376-E612 HydrophobicContact CZ3-CB 3.99Å; W376-E612 HydrophobicContact CZ3-CG 3.96Å; W376-L615 HydrophobicContact CE3-CB 4.42Å; W376-L615 HydrophobicContact CE3-CD2 4.03Å; W376-L615 HydrophobicContact CZ3-CD2 3.74Å
377D98.6Very high98.1Very high3 Ų323.8 Ų23.82%0.01613%0.129CC..Hα-helixtrans-64.8-46.3174.3-68.3-48.1000109.8F369 D373 S374 L380 A381 G608 A610F369-D377 HydrophobicContact CD1-CB 4.12Å; F369-D377 HydrophobicContact CE1-CB 4.22Å; D373-D377 HydrophobicContact CB-CB 4.22Å; S374-D377 WeakPolarHBondContact CB-OD2 3.49Å; S374-D377 PolarHBondContact O-N 3.1Å; S374-D377 VanDerWaalsContact O-N 3.1Å; S374-D377 PolarHBondContact OG-N 2.99Å; S374-D377 PolarHBondContact OG-OD2 3.42Å; D377-L380 PolarHBondContact O-N 3.02Å; D377-A381 WeakPolarHBondContact O-CB 3.43Å; D377-A381 PolarHBondContact O-N 3.44Å; D377-G608 VanDerWaalsContact CG-N 3.33Å; D377-G608 PolarHBondContact OD1-N 3.39Å; D377-G608 WeakPolarHBondContact OD2-CA 3.28Å; D377-G608 PolarHBondContact OD2-N 3.36Å; D377-A610 HydrophobicContact CB-CB 4.41Å; D377-A610 WeakPolarHBondContact OD1-CB 3.44Å; D377-A610 PolarHBondContact OD1-N 2.89Å
378W98.7Very high98.2Very high16 Ų1622.7 Ų22.76%0.06112%0.121CC..Hα-helixtrans-66.5-46-179.4-176.4-127.7000112D264 P353 I356 F369 P371 S374 L380 A381 K382D264-W378 VanDerWaalsContact CG-NE1 3.33Å; D264-W378 PolarHBondContact OD1-NE1 3.34Å; D264-W378 PolarHBondContact OD2-NE1 3.14Å; D264-W378 VanDerWaalsContact OD2-NE1 3.08Å; P353-W378 HydrophobicContact CB-CH2 4.08Å; P353-W378 HydrophobicContact CB-CZ2 3.79Å; P353-W378 HydrophobicContact CG-CZ2 3.82Å; I356-W378 HydrophobicContact CB-CH2 4.5Å; I356-W378 HydrophobicContact CB-CZ3 4.06Å; I356-W378 HydrophobicContact CD1-CE3 4.36Å; I356-W378 HydrophobicContact CD1-CH2 3.54Å; I356-W378 HydrophobicContact CD1-CZ2 4.24Å; I356-W378 HydrophobicContact CD1-CZ3 3.61Å; I356-W378 HydrophobicContact CG1-CH2 3.72Å; I356-W378 HydrophobicContact CG1-CZ3 3.75Å; F369-W378 HydrophobicContact CB-CE3 4.05Å; F369-W378 HydrophobicContact CB-CZ3 4.16Å; F369-W378 WeakPolarHBondContact O-CZ3 3.27Å; P371-W378 HydrophobicContact CB-CZ2 4.26Å; P371-W378 HydrophobicContact CG-CH2 4Å; P371-W378 HydrophobicContact CG-CZ2 3.59Å; S374-W378 PolarHBondContact O-N 2.92Å; W378-L380 PolarHBondContact O-N 3.24Å; W378-A381 PolarHBondContact O-N 2.95Å; W378-K382 HydrophobicContact CD2-CG 4.5Å; W378-K382 HydrophobicContact CZ2-CD 4.25Å; W378-K382 HydrophobicContact CZ2-CG 4.36Å; W378-K382 WeakPolarHBondContact O-CG 3.5Å; W378-K382 PolarHBondContact O-N 3.41Å
379L98.4Very high98.2Very high6 Ų622 Ų223%0.03112%0.117CC..Hα-helixtrans-63.5-42.3178.4-171.758.2000111.6W261 K262 E375 W376 A381 K382 T383 L615W261-L379 HydrophobicContact CE3-CD1 4.19Å; W261-L379 HydrophobicContact CH2-CD1 4.13Å; W261-L379 HydrophobicContact CH2-CD2 3.8Å; W261-L379 HydrophobicContact CH2-CG 4.24Å; W261-L379 HydrophobicContact CZ3-CD1 3.64Å; W261-L379 HydrophobicContact CZ3-CD2 4.17Å; W261-L379 HydrophobicContact CZ3-CG 4.11Å; K262-L379 HydrophobicContact CD-CD2 4.2Å; K262-L379 HydrophobicContact CG-CD1 4.17Å; K262-L379 HydrophobicContact CG-CD2 4.22Å; E375-L379 WeakPolarHBondContact O-CB 3.36Å; E375-L379 PolarHBondContact O-N 3.32Å; W376-L379 HydrophobicContact CE3-CD2 4.15Å; W376-L379 HydrophobicContact CZ3-CD2 3.91Å; L379-A381 PolarHBondContact O-N 3.49Å; L379-K382 PolarHBondContact O-N 3.49Å; L379-T383 PolarHBondContact O-N 2.97Å; L379-T383 PolarHBondContact O-OG1 3.39Å; L379-L615 HydrophobicContact CD2-CD2 3.82Å; L379-L615 HydrophobicContact CG-CD2 4.24Å
380L98.6Very high98.3Very high5 Ų522 Ų223%0.02612%0.117CC..Hα-helixtrans-63.2-41.5177-174.660.5000111.6W376 D377 W378 K382 T383 F384 P604 A610 T614 L615 T618W376-L380 WeakPolarHBondContact O-CB 3.39Å; W376-L380 PolarHBondContact O-N 3.37Å; D377-L380 PolarHBondContact O-N 3.02Å; W378-L380 PolarHBondContact O-N 3.24Å; L380-K382 PolarHBondContact O-N 2.91Å; L380-T383 WeakPolarHBondContact O-CB 3.18Å; L380-T383 PolarHBondContact O-N 2.98Å; L380-F384 HydrophobicContact CD1-CD2 4.22Å; L380-F384 HydrophobicContact CD1-CE2 3.85Å; L380-F384 HydrophobicContact CG-CD2 4.22Å; L380-F384 HydrophobicContact CG-CE2 4.04Å; L380-F384 WeakPolarHBondContact O-CD2 3.49Å; L380-F384 PolarHBondContact O-N 2.98Å; L380-F384 VanDerWaalsContact O-N 3.07Å; L380-P604 HydrophobicContact CD2-CB 4.17Å; L380-P604 HydrophobicContact CD2-CG 3.92Å; L380-P604 HydrophobicContact CG-CG 4.25Å; L380-A610 HydrophobicContact CD2-CB 4.21Å; L380-T614 HydrophobicContact CD2-CG2 4.27Å; L380-L615 HydrophobicContact CD1-CD1 3.81Å; L380-T618 HydrophobicContact CD1-CG2 4.1Å
381A98.8Very high98.3Very high0 Ų021.1 Ų21.10%011%0.113CC..Hα-helixtrans-59.9-45.5174.700000111.8I356 L358 F369 D377 W378 L379 T383 F384 V385I356-A381 HydrophobicContact CB-CB 4.4Å; I356-A381 HydrophobicContact CD1-CB 4.39Å; I356-A381 HydrophobicContact CG2-CB 4.14Å; L358-A381 HydrophobicContact CD2-CB 4.39Å; F369-A381 HydrophobicContact CB-CB 3.77Å; F369-A381 HydrophobicContact CD1-CB 4.27Å; F369-A381 HydrophobicContact CD2-CB 3.9Å; F369-A381 HydrophobicContact CG-CB 3.71Å; D377-A381 WeakPolarHBondContact O-CB 3.43Å; D377-A381 PolarHBondContact O-N 3.44Å; W378-A381 PolarHBondContact O-N 2.95Å; L379-A381 PolarHBondContact O-N 3.49Å; A381-T383 VanDerWaalsContact C-N 3.33Å; A381-T383 PolarHBondContact O-N 3.37Å; A381-F384 PolarHBondContact O-N 2.97Å; A381-V385 PolarHBondContact O-N 3.38Å; A381-V385 VanDerWaalsContact O-N 3.15Å
382K98.9Very high98.4Very high8 Ų818.7 Ų18.74%0.03510%0.098CC..Hα-helixtrans-60.9-39.2173.8-70.3-169-61.2178.70112.5K262 D264 F267 I356 W378 L379 L380 F384 V385 K386K262-K382 PolarHBondContact O-NZ 3.23Å; D264-K382 WeakPolarHBondContact OD1-CE 3.33Å; D264-K382 IonicContact OD1-NZ 3.14Å; D264-K382 PolarHBondContact OD1-NZ 2.98Å; F267-K382 HydrophobicContact CB-CD 4.26Å; F267-K382 HydrophobicContact CD1-CD 4.27Å; F267-K382 HydrophobicContact CD2-CB 4Å; F267-K382 HydrophobicContact CD2-CD 3.85Å; F267-K382 HydrophobicContact CD2-CG 4.04Å; F267-K382 HydrophobicContact CE1-CG 4.43Å; F267-K382 HydrophobicContact CE2-CB 3.69Å; F267-K382 HydrophobicContact CE2-CD 4.17Å; F267-K382 HydrophobicContact CE2-CG 3.83Å; F267-K382 HydrophobicContact CG-CD 3.88Å; F267-K382 HydrophobicContact CG-CG 4.42Å; F267-K382 HydrophobicContact CZ-CB 4.28Å; F267-K382 HydrophobicContact CZ-CD 4.49Å; F267-K382 HydrophobicContact CZ-CG 4.02Å; I356-K382 HydrophobicContact CD1-CG 3.71Å; W378-K382 HydrophobicContact CD2-CG 4.5Å; W378-K382 HydrophobicContact CZ2-CD 4.25Å; W378-K382 HydrophobicContact CZ2-CG 4.36Å; W378-K382 WeakPolarHBondContact O-CG 3.5Å; W378-K382 PolarHBondContact O-N 3.41Å; L379-K382 PolarHBondContact O-N 3.49Å; L380-K382 PolarHBondContact O-N 2.91Å; K382-F384 PolarHBondContact O-N 2.6Å; K382-V385 WeakPolarHBondContact O-CB 3.33Å; K382-V385 PolarHBondContact O-N 2.77Å; K382-V385 VanDerWaalsContact O-N 3.15Å; K382-K386 PolarHBondContact O-N 2.89Å
383T98.8Very high98.5Very high3 Ų314.8 Ų14.82%0.0187%0.074CC..Hα-helixtrans-60.4-42.6175.8-61.20000112.1L379 L380 A381 V385 K386 N387 P596 L599 L615 L619L379-T383 PolarHBondContact O-N 2.97Å; L379-T383 PolarHBondContact O-OG1 3.39Å; L380-T383 WeakPolarHBondContact O-CB 3.18Å; L380-T383 PolarHBondContact O-N 2.98Å; A381-T383 VanDerWaalsContact C-N 3.33Å; A381-T383 PolarHBondContact O-N 3.37Å; T383-V385 VanDerWaalsContact C-N 3.32Å; T383-V385 PolarHBondContact O-N 3.38Å; T383-K386 PolarHBondContact O-N 3.09Å; T383-N387 PolarHBondContact O-N 3.41Å; T383-P596 HydrophobicContact CG2-CG 3.8Å; T383-L599 HydrophobicContact CG2-CD2 3.92Å; T383-L615 HydrophobicContact CG2-CD1 4.26Å; T383-L619 HydrophobicContact CG2-CD2 3.85Å
384F98.9Very high98.5Very high0 Ų013.5 Ų13.50%07%0.066CC..Hα-helixtrans-64.4-35.9174.3-85.9-81.4000112.6A338 L358 L380 A381 K382 N387 A388 L599 R601 P603 T618A338-F384 HydrophobicContact CB-CB 4.25Å; A338-F384 HydrophobicContact CB-CD1 3.83Å; A338-F384 HydrophobicContact CB-CG 4.44Å; L358-F384 HydrophobicContact CD1-CB 4.27Å; L358-F384 HydrophobicContact CD1-CD2 4.16Å; L358-F384 HydrophobicContact CD1-CG 4.29Å; L358-F384 HydrophobicContact CD2-CB 3.66Å; L380-F384 HydrophobicContact CD1-CD2 4.22Å; L380-F384 HydrophobicContact CD1-CE2 3.85Å; L380-F384 HydrophobicContact CG-CD2 4.22Å; L380-F384 HydrophobicContact CG-CE2 4.04Å; L380-F384 WeakPolarHBondContact O-CD2 3.49Å; L380-F384 PolarHBondContact O-N 2.98Å; L380-F384 VanDerWaalsContact O-N 3.07Å; A381-F384 PolarHBondContact O-N 2.97Å; K382-F384 PolarHBondContact O-N 2.6Å; F384-N387 PolarHBondContact O-N 3.38Å; F384-A388 WeakPolarHBondContact O-CB 2.9Å; F384-A388 PolarHBondContact O-N 2.97Å; F384-L599 HydrophobicContact CB-CD1 4.44Å; F384-L599 HydrophobicContact CD1-CD1 3.32Å; F384-L599 HydrophobicContact CD2-CD1 4.25Å; F384-L599 HydrophobicContact CE1-CB 4.34Å; F384-L599 HydrophobicContact CE1-CD1 3.39Å; F384-L599 HydrophobicContact CE2-CD1 4.29Å; F384-L599 HydrophobicContact CG-CD1 3.77Å; F384-L599 HydrophobicContact CZ-CD1 3.88Å; F384-R601 WeakPolarHBondContact CZ-O 3.47Å; F384-P603 HydrophobicContact CD1-CB 4.37Å; F384-P603 HydrophobicContact CD1-CG 3.94Å; F384-P603 HydrophobicContact CE1-CB 4.14Å; F384-P603 HydrophobicContact CE1-CG 3.64Å; F384-P603 VanDerWaalsContact CZ-CA 3.41Å; F384-P603 HydrophobicContact CZ-CB 4.25Å; F384-P603 HydrophobicContact CZ-CG 4.17Å; F384-T618 HydrophobicContact CE2-CG2 4.07Å; F384-T618 HydrophobicContact CZ-CG2 3.94Å
385V98.9Very high98.5Very high0 Ų011.3 Ų11.30%05%0.05CC..Hα-helixtrans-62.5-46.6171.7176.10000111.1F267 F271 Y319 P340 V342 I356 A381 K382 T383 N387 A388 D389F267-V385 HydrophobicContact CE2-CB 4.15Å; F267-V385 HydrophobicContact CE2-CG1 4.13Å; F267-V385 HydrophobicContact CZ-CB 3.89Å; F267-V385 HydrophobicContact CZ-CG1 3.69Å; F267-V385 HydrophobicContact CZ-CG2 4.31Å; F271-V385 HydrophobicContact CZ-CG1 4.01Å; Y319-V385 HydrophobicContact CE2-CG1 4.14Å; P340-V385 HydrophobicContact CB-CG2 3.89Å; P340-V385 HydrophobicContact CG-CB 4.42Å; P340-V385 HydrophobicContact CG-CG2 3.97Å; V342-V385 HydrophobicContact CG2-CB 4.31Å; V342-V385 HydrophobicContact CG2-CG1 3.66Å; V342-V385 HydrophobicContact CG2-CG2 3.6Å; I356-V385 HydrophobicContact CD1-CG2 4.04Å; I356-V385 HydrophobicContact CG1-CG2 4.36Å; I356-V385 HydrophobicContact CG2-CG2 3.7Å; A381-V385 PolarHBondContact O-N 3.38Å; A381-V385 VanDerWaalsContact O-N 3.15Å; K382-V385 WeakPolarHBondContact O-CB 3.33Å; K382-V385 PolarHBondContact O-N 2.77Å; K382-V385 VanDerWaalsContact O-N 3.15Å; T383-V385 VanDerWaalsContact C-N 3.32Å; T383-V385 PolarHBondContact O-N 3.38Å; V385-N387 VanDerWaalsContact C-N 3.31Å; V385-N387 PolarHBondContact O-N 2.92Å; V385-A388 WeakPolarHBondContact O-CB 3.27Å; V385-A388 PolarHBondContact O-N 3.36Å; V385-A388 VanDerWaalsContact O-N 3.15Å; V385-D389 WeakPolarHBondContact O-CB 3.42Å; V385-D389 PolarHBondContact O-N 3.4Å
386K98.8Very high98.6Very high8 Ų85.9 Ų5.94%0.0353%0.025CC..Hα-helixtrans-66.7-31.5-179.8-68.6-56.2-55.2172.10113.1F267 K382 T383 D389 F390 N594F267-K386 HydrophobicContact CD2-CD 4.15Å; F267-K386 HydrophobicContact CD2-CG 4.24Å; F267-K386 HydrophobicContact CE2-CD 4Å; F267-K386 HydrophobicContact CE2-CG 3.98Å; K382-K386 PolarHBondContact O-N 2.89Å; T383-K386 PolarHBondContact O-N 3.09Å; K386-D389 IonicContact NZ-OD2 3.26Å; K386-D389 PolarHBondContact NZ-OD2 3.31Å; K386-F390 PolarHBondContact O-N 2.57Å; K386-N594 WeakPolarHBondContact CB-O 3.36Å; K386-N594 WeakPolarHBondContact CE-O 3.21Å; K386-N594 WeakPolarHBondContact CG-O 3.32Å
387N98.8Very high98.6Very high0 Ų03.5 Ų3.50%02%0.017CC..Hα-helixtrans-65.5-44.3168.9176.5-109.3000112.5T383 F384 V385 D389 F390 N391 S457 P596 A597 T598 L599T383-N387 PolarHBondContact O-N 3.41Å; F384-N387 PolarHBondContact O-N 3.38Å; V385-N387 VanDerWaalsContact C-N 3.31Å; V385-N387 PolarHBondContact O-N 2.92Å; N387-D389 VanDerWaalsContact C-N 3.32Å; N387-D389 PolarHBondContact O-N 3.18Å; N387-F390 PolarHBondContact O-N 3.17Å; N387-N391 PolarHBondContact ND2-ND2 3.3Å; N387-N391 PolarHBondContact O-N 3.12Å; N387-N391 PolarHBondContact O-ND2 3.1Å; N387-S457 PolarHBondContact ND2-OG 2.55Å; N387-P596 WeakPolarHBondContact CA-O 3.35Å; N387-P596 HydrophobicContact CB-CG 4.22Å; N387-P596 PolarHBondContact ND2-O 2.73Å; N387-A597 VanDerWaalsContact ND2-C 3.33Å; N387-A597 PolarHBondContact ND2-O 3.42Å; N387-T598 WeakPolarHBondContact ND2-CA 3.18Å; N387-T598 PolarHBondContact ND2-N 2.82Å; N387-L599 HydrophobicContact CB-CD1 3.55Å; N387-L599 HydrophobicContact CB-CG 3.9Å
388A98.9Very high98.6Very high0 Ų03.8 Ų3.80%02%0.018CC..Hα-helixtrans-61-43.317500000111.5Y319 L322 P340 F384 V385 N391 M392Y319-A388 HydrophobicContact CD1-CB 3.86Å; Y319-A388 HydrophobicContact CE1-CB 4.33Å; Y319-A388 HydrophobicContact CG-CB 4.07Å; L322-A388 HydrophobicContact CD1-CB 3.5Å; L322-A388 VanDerWaalsContact CD1-CB 3.5Å; P340-A388 HydrophobicContact CG-CB 3.71Å; F384-A388 WeakPolarHBondContact O-CB 2.9Å; F384-A388 PolarHBondContact O-N 2.97Å; V385-A388 WeakPolarHBondContact O-CB 3.27Å; V385-A388 PolarHBondContact O-N 3.36Å; V385-A388 VanDerWaalsContact O-N 3.15Å; A388-N391 PolarHBondContact O-N 2.83Å; A388-M392 PolarHBondContact O-N 2.92Å
389D98.8Very high98.6Very high2 Ų23.7 Ų3.71%0.0112%0.018CC..Hα-helixtrans-60.2-46.6176.3-169.243.8000112.1N276 Y319 V385 K386 N387 N391 M392 H393N276-D389 PolarHBondContact ND2-OD1 2.92Å; Y319-D389 HydrophobicContact CE1-CB 4.1Å; Y319-D389 WeakPolarHBondContact OH-CB 3.43Å; Y319-D389 PolarHBondContact OH-OD1 3.32Å; V385-D389 WeakPolarHBondContact O-CB 3.42Å; V385-D389 PolarHBondContact O-N 3.4Å; K386-D389 IonicContact NZ-OD2 3.26Å; K386-D389 PolarHBondContact NZ-OD2 3.31Å; N387-D389 VanDerWaalsContact C-N 3.32Å; N387-D389 PolarHBondContact O-N 3.18Å; D389-N391 PolarHBondContact O-N 2.79Å; D389-M392 PolarHBondContact O-N 2.67Å; D389-H393 WeakPolarHBondContact O-CB 3.34Å; D389-H393 PolarHBondContact O-N 2.99Å
390F98.8Very high98.6Very high1 Ų13.4 Ų3.40%0.0042%0.017CC..Hα-helixtrans-53.4-50.1173177.1-90.2000112.2K386 N387 M392 H393 E394 F452 F455 A456 I589 A597K386-F390 PolarHBondContact O-N 2.57Å; N387-F390 PolarHBondContact O-N 3.17Å; F390-M392 PolarHBondContact O-N 3.44Å; F390-H393 PolarHBondContact O-N 2.65Å; F390-E394 HydrophobicContact CD1-CG 4.45Å; F390-E394 HydrophobicContact CD2-CG 4.31Å; F390-E394 HydrophobicContact CE1-CG 3.94Å; F390-E394 HydrophobicContact CE2-CG 3.77Å; F390-E394 HydrophobicContact CZ-CG 3.54Å; F390-E394 PolarHBondContact O-N 3.07Å; F390-F452 HydrophobicContact CE1-CE2 4.4Å; F390-F455 HydrophobicContact CE1-CE2 4.21Å; F390-F455 AromaticContact CZ-CE2 3.78Å; F390-F455 HydrophobicContact CZ-CE2 3.78Å; F390-A456 HydrophobicContact CE1-CB 4.22Å; F390-I589 HydrophobicContact CD2-CD1 4.06Å; F390-I589 HydrophobicContact CD2-CG1 4.45Å; F390-I589 HydrophobicContact CD2-CG2 4.1Å; F390-I589 HydrophobicContact CE2-CD1 4.01Å; F390-I589 HydrophobicContact CE2-CG2 3.94Å; F390-A597 VanDerWaalsContact CD1-CA 3.5Å; F390-A597 HydrophobicContact CD1-CB 3.86Å; F390-A597 HydrophobicContact CD2-CB 4.45Å; F390-A597 HydrophobicContact CE1-CB 3.47Å; F390-A597 VanDerWaalsContact CE1-CB 3.47Å; F390-A597 HydrophobicContact CE2-CB 4.12Å; F390-A597 HydrophobicContact CG-CB 4.35Å; F390-A597 HydrophobicContact CZ-CB 3.64Å
391N98.6Very high98.5Very high0 Ų04.8 Ų4.80%02%0.022CC..Hα-helixtrans-71.3-32.4-175-73.6-89.7000112.4L337 N387 A388 D389 L395 S458 A597L337-N391 HydrophobicContact CD1-CB 4.16Å; N387-N391 PolarHBondContact ND2-ND2 3.3Å; N387-N391 PolarHBondContact O-N 3.12Å; N387-N391 PolarHBondContact O-ND2 3.1Å; A388-N391 PolarHBondContact O-N 2.83Å; D389-N391 PolarHBondContact O-N 2.79Å; N391-L395 WeakPolarHBondContact O-CB 3.31Å; N391-L395 PolarHBondContact O-N 3.49Å; N391-S458 WeakPolarHBondContact OD1-CB 3.13Å; N391-S458 PolarHBondContact OD1-N 3.49Å; N391-S458 PolarHBondContact OD1-OG 2.89Å; N391-A597 PolarHBondContact ND2-O 3.2Å
392M98.6Very high98.5Very high1 Ų14.8 Ų4.81%0.0052%0.022CC..Hα-helixtrans-72.9-40.2171.9-78-56.3-56.700112.3M279 Y319 M321 L322 A388 D389 F390 S396 S397 I466M279-M392 HydrophobicContact SD-CB 4.27Å; M279-M392 HydrophobicContact SD-CE 4.48Å; Y319-M392 HydrophobicContact CD1-CB 4.41Å; Y319-M392 HydrophobicContact CD1-CG 3.77Å; Y319-M392 HydrophobicContact CE1-CB 4.37Å; Y319-M392 HydrophobicContact CE1-CG 4.21Å; M321-M392 HydrophobicContact CB-CE 4.18Å; M321-M392 HydrophobicContact CB-SD 3.97Å; M321-M392 HydrophobicContact CE-CE 3.46Å; M321-M392 VanDerWaalsContact CE-CE 3.46Å; M321-M392 HydrophobicContact SD-CE 3.81Å; L322-M392 HydrophobicContact CD1-CG 4.05Å; L322-M392 HydrophobicContact CD2-CG 3.91Å; L322-M392 HydrophobicContact CD2-SD 3.53Å; L322-M392 VanDerWaalsContact CD2-SD 3.53Å; L322-M392 HydrophobicContact CG-CG 3.96Å; L322-M392 HydrophobicContact CG-SD 3.93Å; A388-M392 PolarHBondContact O-N 2.92Å; D389-M392 PolarHBondContact O-N 2.67Å; F390-M392 PolarHBondContact O-N 3.44Å; M392-S396 WeakPolarHBondContact O-CA 3.34Å; M392-S396 WeakPolarHBondContact O-CB 3.36Å; M392-S396 PolarHBondContact O-N 3.47Å; M392-S397 PolarHBondContact O-N 3.29Å; M392-I466 HydrophobicContact SD-CG2 4.1Å
393H98.7Very high98.5Very high1 Ų15 Ų51%0.0052%0.023CC..Iπ-helixtrans-57.7-60.2176.5162.5-103.3000110.9V275 N276 D389 F390 L395 S397 H398 V581V275-H393 PolarHBondContact O-CD2 2.67Å; N276-H393 HydrophobicContact CB-CB 3.78Å; D389-H393 WeakPolarHBondContact O-CB 3.34Å; D389-H393 PolarHBondContact O-N 2.99Å; F390-H393 PolarHBondContact O-N 2.65Å; H393-L395 VanDerWaalsContact C-N 3.31Å; H393-L395 PolarHBondContact O-N 2.89Å; H393-S397 WeakPolarHBondContact O-CB 3.48Å; H393-S397 PolarHBondContact O-N 3.46Å; H393-S397 VanDerWaalsContact O-N 3.16Å; H393-H398 VanDerWaalsContact O-CB 3.31Å; H393-H398 WeakPolarHBondContact O-CB 3.22Å; H393-H398 PolarHBondContact O-N 3.42Å; H393-V581 PolarHBondContact NE2-O 2.72Å
394E98.3Very high98.4Very high13 Ų135.6 Ų5.66%0.0613%0.026CC..Iπ-helixtrans-62.9-38.2-172.7-71.3-65.1179.700112.5F390 H398 L399 F452 Q585F390-E394 HydrophobicContact CD1-CG 4.45Å; F390-E394 HydrophobicContact CD2-CG 4.31Å; F390-E394 HydrophobicContact CE1-CG 3.94Å; F390-E394 HydrophobicContact CE2-CG 3.77Å; F390-E394 HydrophobicContact CZ-CG 3.54Å; F390-E394 PolarHBondContact O-N 3.07Å; E394-H398 IonicContact OE2-CE1 2.77Å; E394-H398 IonicContact OE2-ND1 3.33Å; E394-H398 PolarHBondContact OE2-ND1 2.94Å; E394-H398 VanDerWaalsContact OE2-ND1 3.07Å; E394-L399 WeakPolarHBondContact O-CB 3.48Å; E394-L399 PolarHBondContact O-N 3.48Å; E394-F452 HydrophobicContact CB-CE2 4.03Å; E394-F452 HydrophobicContact CB-CZ 4.37Å; E394-F452 HydrophobicContact CG-CE2 4.35Å; E394-Q585 PolarHBondContact OE1-OE1 3.47Å; E394-Q585 VanDerWaalsContact OE1-OE1 3.1Å; E394-Q585 PolarHBondContact OE2-OE1 2.96Å
395L97.9Very high98.4Very high2 Ų25.6 Ų5.61%0.013%0.026CC..Iπ-helixtrans-92.7-43.6-173.1-62.4-179.4000113.5N391 H393 L399 L400 F452 S458 M463 I466 L467N391-L395 WeakPolarHBondContact O-CB 3.31Å; N391-L395 PolarHBondContact O-N 3.49Å; H393-L395 VanDerWaalsContact C-N 3.31Å; H393-L395 PolarHBondContact O-N 2.89Å; L395-L399 HydrophobicContact CD2-CD2 4.1Å; L395-L400 VanDerWaalsContact O-CB 3.24Å; L395-L400 WeakPolarHBondContact O-CB 3.39Å; L395-L400 PolarHBondContact O-N 3Å; L395-F452 HydrophobicContact CD1-CE1 4.25Å; L395-F452 HydrophobicContact CD1-CZ 4.3Å; L395-F452 HydrophobicContact CD2-CE1 3.95Å; L395-F452 HydrophobicContact CD2-CZ 3.85Å; L395-F452 HydrophobicContact CG-CE1 4.34Å; L395-F452 HydrophobicContact CG-CZ 4.03Å; L395-S458 WeakPolarHBondContact CD1-OG 3.19Å; L395-M463 HydrophobicContact CD1-CB 4.03Å; L395-M463 HydrophobicContact CD1-CG 4.01Å; L395-M463 HydrophobicContact CD2-CB 4.45Å; L395-M463 HydrophobicContact CD2-CG 3.61Å; L395-M463 HydrophobicContact CD2-SD 4.01Å; L395-M463 HydrophobicContact CG-CG 4.47Å; L395-I466 HydrophobicContact CB-CG2 3.87Å; L395-I466 HydrophobicContact CD1-CB 3.97Å; L395-I466 HydrophobicContact CD1-CD1 3.7Å; L395-I466 HydrophobicContact CD1-CG1 4.43Å; L395-I466 HydrophobicContact CD1-CG2 4.06Å; L395-L467 HydrophobicContact CB-CD2 4.2Å; L395-L467 HydrophobicContact CB-CG 4.49Å; L395-L467 WeakPolarHBondContact O-CD2 3.36Å
396S97.8Very high98.4Very high4 Ų45.6 Ų5.63%0.0283%0.026CC..Iπ-helixtrans-90-61.2-177.5-178.40000111.2M392 R401M392-S396 WeakPolarHBondContact O-CA 3.34Å; M392-S396 WeakPolarHBondContact O-CB 3.36Å; M392-S396 PolarHBondContact O-N 3.47Å; S396-R401 VanDerWaalsContact O-CB 3.27Å; S396-R401 WeakPolarHBondContact O-CB 3.23Å; S396-R401 WeakPolarHBondContact O-CD 3.36Å; S396-R401 WeakPolarHBondContact O-CG 3.39Å; S396-R401 PolarHBondContact O-N 2.91Å
397S98.4Very high98.3Very high1 Ų15.2 Ų5.21%0.0072%0.024CC..Iπ-helixtrans-68.7-38-172.4-57.40000112.7N276 M392 H393N276-S397 WeakPolarHBondContact OD1-CB 3.46Å; N276-S397 PolarHBondContact OD1-OG 3.44Å; M392-S397 PolarHBondContact O-N 3.29Å; H393-S397 WeakPolarHBondContact O-CB 3.48Å; H393-S397 PolarHBondContact O-N 3.46Å; H393-S397 VanDerWaalsContact O-N 3.16Å
398H98.4Very high98.2Very high8 Ų85.2 Ų5.24%0.0372%0.024CC..Iπ-helixtrans-93.6-82.6-177.9-174.1-157000110.2H393 E394 L400 T402 H403 H578 V581 N582H393-H398 VanDerWaalsContact O-CB 3.31Å; H393-H398 WeakPolarHBondContact O-CB 3.22Å; H393-H398 PolarHBondContact O-N 3.42Å; E394-H398 IonicContact OE2-CE1 2.77Å; E394-H398 IonicContact OE2-ND1 3.33Å; E394-H398 PolarHBondContact OE2-ND1 2.94Å; E394-H398 VanDerWaalsContact OE2-ND1 3.07Å; H398-L400 PolarHBondContact O-N 2.7Å; H398-T402 PolarHBondContact O-N 3.33Å; H398-T402 PolarHBondContact O-OG1 3.29Å; H398-H403 AromaticContact CD2-CD2 3.85Å; H398-H403 AromaticContact CD2-NE2 3.88Å; H398-H403 AromaticContact NE2-CD2 3.82Å; H398-H403 AromaticContact NE2-NE2 3.37Å; H398-H403 PolarHBondContact NE2-NE2 3.46Å; H398-H578 AromaticContact NE2-NE2 3.98Å; H398-V581 HydrophobicContact CB-CG2 4.26Å; H398-N582 PolarHBondContact CE1-OD1 3.17Å; H398-N582 PolarHBondContact NE2-OD1 2.82Å
399L97.8Very high98.2Very high14 Ų145.4 Ų5.47%0.0733%0.025CC..Iπ-helixtrans-54.2-55.3-172.3178.962.1000114.1E394 L395 H403 L404 I446 L467E394-L399 WeakPolarHBondContact O-CB 3.48Å; E394-L399 PolarHBondContact O-N 3.48Å; L395-L399 HydrophobicContact CD2-CD2 4.1Å; L399-H403 HydrophobicContact CD1-CB 4.16Å; L399-H403 VanDerWaalsContact O-CB 3.28Å; L399-H403 WeakPolarHBondContact O-CB 3.46Å; L399-H403 PolarHBondContact O-N 3.13Å; L399-L404 HydrophobicContact CD1-CD2 4.3Å; L399-L404 HydrophobicContact CD1-CG 4.3Å; L399-L404 HydrophobicContact CG-CD1 4.43Å; L399-L404 HydrophobicContact CG-CG 4.34Å; L399-L404 WeakPolarHBondContact O-CG 3.19Å; L399-L404 PolarHBondContact O-N 3.07Å; L399-I446 HydrophobicContact CD2-CD1 4.13Å; L399-I446 HydrophobicContact CD2-CG2 4.01Å; L399-L467 HydrophobicContact CD2-CD1 4.23Å; L399-L467 HydrophobicContact CD2-CD2 4.14Å; L399-L467 HydrophobicContact CG-CD2 4.44Å
400L98.1Very high98.1Very high0 Ų05.4 Ų5.40%03%0.025CC..Iπ-helixtrans-70.7-55.6-175.117964.5000112.3P188 L395 H398 T402 L404 L405 L467 A470 L471 M474P188-L400 HydrophobicContact CG-CD1 3.78Å; L395-L400 VanDerWaalsContact O-CB 3.24Å; L395-L400 WeakPolarHBondContact O-CB 3.39Å; L395-L400 PolarHBondContact O-N 3Å; H398-L400 PolarHBondContact O-N 2.7Å; L400-T402 VanDerWaalsContact C-N 3.33Å; L400-T402 PolarHBondContact O-N 3.36Å; L400-L404 HydrophobicContact CD1-CB 4.31Å; L400-L404 HydrophobicContact CD1-CD1 3.96Å; L400-L405 PolarHBondContact O-N 2.96Å; L400-L467 HydrophobicContact CB-CD2 3.82Å; L400-A470 HydrophobicContact CD2-CB 3.51Å; L400-L471 HydrophobicContact CD1-CD1 4.5Å; L400-L471 HydrophobicContact CD2-CB 4.08Å; L400-M474 HydrophobicContact CD2-CE 3.59Å; L400-M474 HydrophobicContact CG-CE 3.76Å
401R98.3Very high98Very high35 Ų355.6 Ų5.613%0.1323%0.026CC..Iπ-helixtrans-73.2-22-169.7-76.4170.1172-103.6-0.5113.5S396 M474 S478 T573S396-R401 VanDerWaalsContact O-CB 3.27Å; S396-R401 WeakPolarHBondContact O-CB 3.23Å; S396-R401 WeakPolarHBondContact O-CD 3.36Å; S396-R401 WeakPolarHBondContact O-CG 3.39Å; S396-R401 PolarHBondContact O-N 2.91Å; R401-M474 HydrophobicContact CG-CE 3.74Å; R401-S478 PolarHBondContact NH1-O 3.43Å; R401-T573 WeakPolarHBondContact O-CG2 3.38Å
402T98.6Very high97.9Very high0 Ų05.6 Ų5.60%03%0.026CC..Iπ-helixtrans-109.6-65.8177.774.10000110.7H398 L400 A406 Q577 H578 V581H398-T402 PolarHBondContact O-N 3.33Å; H398-T402 PolarHBondContact O-OG1 3.29Å; L400-T402 VanDerWaalsContact C-N 3.33Å; L400-T402 PolarHBondContact O-N 3.36Å; T402-A406 WeakPolarHBondContact O-CB 3.21Å; T402-A406 PolarHBondContact O-N 2.69Å; T402-Q577 HydrophobicContact CG2-CG 4.03Å; T402-H578 HydrophobicContact CG2-CB 4.16Å; T402-V581 HydrophobicContact CG2-CG2 4.03Å
403H98.4Very high97.8Very high11 Ų115.6 Ų5.65%0.0513%0.026CC..Iπ-helixtrans-62.7-58.1-173.4-76.6-98.7000113.2H398 L399 L405 A406 E407 N438 H578 V699 V701H398-H403 AromaticContact CD2-CD2 3.85Å; H398-H403 AromaticContact CD2-NE2 3.88Å; H398-H403 AromaticContact NE2-CD2 3.82Å; H398-H403 AromaticContact NE2-NE2 3.37Å; H398-H403 PolarHBondContact NE2-NE2 3.46Å; L399-H403 HydrophobicContact CD1-CB 4.16Å; L399-H403 VanDerWaalsContact O-CB 3.28Å; L399-H403 WeakPolarHBondContact O-CB 3.46Å; L399-H403 PolarHBondContact O-N 3.13Å; H403-L405 VanDerWaalsContact C-N 3.35Å; H403-L405 PolarHBondContact O-N 3.32Å; H403-A406 PolarHBondContact O-N 2.91Å; H403-E407 PolarHBondContact O-N 3.48Å; H403-N438 VanDerWaalsContact C-ND2 3.3Å; H403-N438 WeakPolarHBondContact CB-OD1 3.46Å; H403-N438 PolarHBondContact ND1-OD1 2.59Å; H403-N438 PolarHBondContact O-ND2 3.07Å; H403-H578 AromaticContact NE2-CD2 3.96Å; H403-H578 AromaticContact NE2-NE2 3.66Å; H403-V699 HydrophobicContact CB-CG1 4.48Å; H403-V699 WeakPolarHBondContact CE1-CG1 3.36Å; H403-V699 WeakPolarHBondContact ND1-CG1 3.41Å; H403-V701 PolarHBondContact CE1-O 3.05Å
404L97.1Very high97.7Very high16 Ų166 Ų68%0.0843%0.028CC..Iπ-helixtrans-67.5-37.4-172.3-60.6-173.7000111.5L399 L400 E407 V408L399-L404 HydrophobicContact CD1-CD2 4.3Å; L399-L404 HydrophobicContact CD1-CG 4.3Å; L399-L404 HydrophobicContact CG-CD1 4.43Å; L399-L404 HydrophobicContact CG-CG 4.34Å; L399-L404 WeakPolarHBondContact O-CG 3.19Å; L399-L404 PolarHBondContact O-N 3.07Å; L400-L404 HydrophobicContact CD1-CB 4.31Å; L400-L404 HydrophobicContact CD1-CD1 3.96Å; L404-E407 PolarHBondContact O-N 3.25Å; L404-V408 WeakPolarHBondContact O-CG2 3.45Å; L404-V408 PolarHBondContact O-N 3.04Å; L404-V408 VanDerWaalsContact O-N 3.08Å
405L98.1Very high97.4Very high0 Ų06.1 Ų6.10%03%0.028CC..Hα-helixtrans-69-42.3173.4-69.7-173.4000112.8L400 H403 E407 V408 F409 M474 L479 F545L400-L405 PolarHBondContact O-N 2.96Å; H403-L405 VanDerWaalsContact C-N 3.35Å; H403-L405 PolarHBondContact O-N 3.32Å; L405-E407 PolarHBondContact O-N 3.42Å; L405-V408 WeakPolarHBondContact O-CB 3.24Å; L405-V408 PolarHBondContact O-N 3.46Å; L405-V408 VanDerWaalsContact O-N 3.1Å; L405-F409 HydrophobicContact CB-CE2 4Å; L405-F409 HydrophobicContact CB-CZ 3.97Å; L405-F409 VanDerWaalsContact O-CD2 3.23Å; L405-F409 WeakPolarHBondContact O-CD2 3.18Å; L405-F409 WeakPolarHBondContact O-CG 3.42Å; L405-F409 PolarHBondContact O-N 3.46Å; L405-M474 HydrophobicContact CD1-CE 4.4Å; L405-M474 HydrophobicContact CD1-SD 3.74Å; L405-L479 HydrophobicContact CD1-CD1 3.81Å; L405-L479 HydrophobicContact CD1-CD2 3.78Å; L405-L479 HydrophobicContact CD1-CG 4.48Å; L405-F545 HydrophobicContact CD1-CZ 4.39Å; L405-F545 HydrophobicContact CD2-CE1 4.32Å; L405-F545 HydrophobicContact CD2-CE2 4.31Å; L405-F545 HydrophobicContact CD2-CZ 3.85Å
406A98.7Very high97.3Very high0 Ų06.6 Ų6.60%03%0.031CC..Hα-helixtrans-59-37.8175.500000111.5T402 H403 F409 T410 T434 C574 V699T402-A406 WeakPolarHBondContact O-CB 3.21Å; T402-A406 PolarHBondContact O-N 2.69Å; H403-A406 PolarHBondContact O-N 2.91Å; A406-F409 PolarHBondContact O-N 2.72Å; A406-T410 WeakPolarHBondContact O-CB 3.19Å; A406-T410 PolarHBondContact O-N 2.87Å; A406-T410 PolarHBondContact O-OG1 2.91Å; A406-T434 HydrophobicContact CB-CG2 3.68Å; A406-C574 VanDerWaalsContact CB-SG 3.55Å; A406-V699 HydrophobicContact CB-CB 4.34Å; A406-V699 HydrophobicContact CB-CG2 3.8Å
407E97.4Very high97.3Very high1 Ų16.4 Ų6.41%0.0053%0.029CC..Hα-helixtrans-65-44.6172.9168.4170.1-160.500112.5S190 I191 H403 L404 L405 F409 T410 V411 T434 L435 N438 R442S190-E407 WeakPolarHBondContact CB-OE1 3.37Å; I191-E407 VanDerWaalsContact CG2-OE1 3.31Å; I191-E407 WeakPolarHBondContact CG2-OE1 3.28Å; I191-E407 PolarHBondContact N-OE1 3.48Å; H403-E407 PolarHBondContact O-N 3.48Å; L404-E407 PolarHBondContact O-N 3.25Å; L405-E407 PolarHBondContact O-N 3.42Å; E407-F409 VanDerWaalsContact C-N 3.31Å; E407-F409 PolarHBondContact O-N 3.18Å; E407-T410 WeakPolarHBondContact O-CB 3.27Å; E407-T410 PolarHBondContact O-N 3.36Å; E407-V411 HydrophobicContact CG-CG2 4.26Å; E407-V411 WeakPolarHBondContact O-CG2 3.25Å; E407-V411 PolarHBondContact O-N 3.4Å; E407-T434 HydrophobicContact CB-CG2 4.28Å; E407-L435 HydrophobicContact CB-CD2 4.4Å; E407-L435 HydrophobicContact CG-CD2 3.82Å; E407-N438 VanDerWaalsContact CB-ND2 3.27Å; E407-N438 WeakPolarHBondContact CB-ND2 3.36Å; E407-N438 VanDerWaalsContact OE2-CB 3.29Å; E407-N438 WeakPolarHBondContact OE2-CB 3.38Å; E407-N438 PolarHBondContact OE2-ND2 3.24Å; E407-R442 IonicContact OE1-CZ 3.66Å; E407-R442 IonicContact OE1-NH1 3.91Å; E407-R442 PolarHBondContact OE1-NH1 3.27Å; E407-R442 IonicContact OE1-NH2 3.96Å; E407-R442 PolarHBondContact OE1-NH2 3.41Å; E407-R442 IonicContact OE2-CZ 2.73Å; E407-R442 IonicContact OE2-NH1 3.56Å; E407-R442 PolarHBondContact OE2-NH1 2.86Å; E407-R442 IonicContact OE2-NH2 3.35Å; E407-R442 PolarHBondContact OE2-NH2 3.33Å
408V96.9Very high97.2Very high0 Ų06.4 Ų6.40%03%0.029CC..Hα-helixtrans-56.7-47.6174.4168.10000110.7P188 L404 L405 T410 V411 A412 I540P188-V408 HydrophobicContact CB-CG2 3.95Å; L404-V408 WeakPolarHBondContact O-CG2 3.45Å; L404-V408 PolarHBondContact O-N 3.04Å; L404-V408 VanDerWaalsContact O-N 3.08Å; L405-V408 WeakPolarHBondContact O-CB 3.24Å; L405-V408 PolarHBondContact O-N 3.46Å; L405-V408 VanDerWaalsContact O-N 3.1Å; V408-T410 VanDerWaalsContact C-N 3.3Å; V408-T410 PolarHBondContact O-N 3.06Å; V408-V411 PolarHBondContact O-N 2.87Å; V408-A412 VanDerWaalsContact O-CB 3.25Å; V408-A412 WeakPolarHBondContact O-CB 3.13Å; V408-A412 PolarHBondContact O-N 2.94Å; V408-I540 HydrophobicContact CG1-CB 4.37Å; V408-I540 HydrophobicContact CG1-CG1 4.24Å; V408-I540 HydrophobicContact CG1-CG2 4.16Å
409F98.4Very high97Very high4 Ų46.8 Ų6.82%0.0183%0.031CC..Hα-helixtrans-60.9-42.3178.7-55.5-30.4000111.3L405 A406 E407 L413 I540 M569 V570 T573L405-F409 HydrophobicContact CB-CE2 4Å; L405-F409 HydrophobicContact CB-CZ 3.97Å; L405-F409 VanDerWaalsContact O-CD2 3.23Å; L405-F409 WeakPolarHBondContact O-CD2 3.18Å; L405-F409 WeakPolarHBondContact O-CG 3.42Å; L405-F409 PolarHBondContact O-N 3.46Å; A406-F409 PolarHBondContact O-N 2.72Å; E407-F409 VanDerWaalsContact C-N 3.31Å; E407-F409 PolarHBondContact O-N 3.18Å; F409-L413 VanDerWaalsContact O-CB 3.23Å; F409-L413 WeakPolarHBondContact O-CB 3.38Å; F409-L413 PolarHBondContact O-N 3.45Å; F409-I540 HydrophobicContact CD1-CD1 3.86Å; F409-I540 HydrophobicContact CD1-CG1 4.16Å; F409-I540 HydrophobicContact CD1-CG2 4.12Å; F409-I540 HydrophobicContact CE1-CD1 4.49Å; F409-I540 HydrophobicContact CE1-CG2 3.91Å; F409-M569 HydrophobicContact CE1-CE 4.46Å; F409-M569 HydrophobicContact CE2-SD 4.31Å; F409-M569 HydrophobicContact CZ-CE 3.99Å; F409-M569 HydrophobicContact CZ-SD 3.97Å; F409-V570 HydrophobicContact CB-CG1 4.08Å; F409-V570 HydrophobicContact CD1-CG2 4.2Å; F409-V570 HydrophobicContact CD2-CB 4.24Å; F409-V570 HydrophobicContact CD2-CG1 3.76Å; F409-V570 HydrophobicContact CD2-CG2 4Å; F409-V570 HydrophobicContact CE1-CG2 4.29Å; F409-V570 HydrophobicContact CE2-CB 4.47Å; F409-V570 HydrophobicContact CE2-CG1 4.45Å; F409-V570 HydrophobicContact CE2-CG2 4.08Å; F409-V570 HydrophobicContact CG-CG1 4.04Å; F409-V570 HydrophobicContact CG-CG2 4.06Å; F409-V570 HydrophobicContact CZ-CG2 4.24Å; F409-T573 HydrophobicContact CE2-CG2 4.14Å
410T97.8Very high96.8Very high2 Ų26.7 Ų6.71%0.0123%0.03CC..Hα-helixtrans-63.9-51.9178.6-60.50000111.9A406 E407 V408 A412 L413 L414 T431 L435A406-T410 WeakPolarHBondContact O-CB 3.19Å; A406-T410 PolarHBondContact O-N 2.87Å; A406-T410 PolarHBondContact O-OG1 2.91Å; E407-T410 WeakPolarHBondContact O-CB 3.27Å; E407-T410 PolarHBondContact O-N 3.36Å; V408-T410 VanDerWaalsContact C-N 3.3Å; V408-T410 PolarHBondContact O-N 3.06Å; T410-A412 PolarHBondContact O-N 3.01Å; T410-L413 WeakPolarHBondContact O-CB 3.27Å; T410-L413 PolarHBondContact O-N 2.85Å; T410-L414 HydrophobicContact CG2-CD1 3.8Å; T410-L414 HydrophobicContact CG2-CG 4.46Å; T410-L414 VanDerWaalsContact O-CG 3.3Å; T410-L414 WeakPolarHBondContact O-CG 3.37Å; T410-L414 PolarHBondContact O-N 2.9Å; T410-T431 HydrophobicContact CG2-CG2 4.03Å; T410-T431 VanDerWaalsContact OG1-CB 3.31Å; T410-T431 WeakPolarHBondContact OG1-CB 3.08Å; T410-T431 WeakPolarHBondContact OG1-CG2 3.49Å; T410-L435 HydrophobicContact CG2-CD1 4Å; T410-L435 HydrophobicContact CG2-CD2 3.82Å; T410-L435 HydrophobicContact CG2-CG 3.75Å
411V95.3Very high96.8Very high4 Ų46.7 Ų6.72%0.0243%0.03CC..Hα-helixtrans-63.8-43.5-178.8175.20000110.3W180 I191 E407 V408 L413 R415 L435W180-V411 HydrophobicContact CD2-CG1 4.25Å; W180-V411 HydrophobicContact CE3-CG1 4.25Å; W180-V411 HydrophobicContact CH2-CB 3.67Å; W180-V411 HydrophobicContact CH2-CG1 3.54Å; W180-V411 HydrophobicContact CZ2-CB 4.06Å; W180-V411 HydrophobicContact CZ2-CG1 3.45Å; W180-V411 VanDerWaalsContact CZ2-CG1 3.45Å; W180-V411 HydrophobicContact CZ3-CB 4.08Å; W180-V411 HydrophobicContact CZ3-CG1 3.93Å; W180-V411 HydrophobicContact CZ3-CG2 4.46Å; I191-V411 HydrophobicContact CB-CG2 4.22Å; E407-V411 HydrophobicContact CG-CG2 4.26Å; E407-V411 WeakPolarHBondContact O-CG2 3.25Å; E407-V411 PolarHBondContact O-N 3.4Å; V408-V411 PolarHBondContact O-N 2.87Å; V411-L413 PolarHBondContact O-N 3.45Å; V411-R415 VanDerWaalsContact CG1-CD 3.48Å; V411-R415 HydrophobicContact CG1-CG 4.33Å; V411-R415 WeakPolarHBondContact O-CB 3.42Å; V411-R415 VanDerWaalsContact O-CD 3.27Å; V411-R415 WeakPolarHBondContact O-CD 3.4Å; V411-R415 WeakPolarHBondContact O-CG 3.17Å; V411-R415 PolarHBondContact O-N 3.14Å; V411-R415 VanDerWaalsContact O-N 3.08Å; V411-L435 HydrophobicContact CG2-CD2 3.67Å
412A96.4Very high96.8Very high0 Ų05 Ų50%02%0.024CC..Hα-helixtrans-61.3-43.5175.800000111.9V408 T410 R415 Q416 W536 D539 I540V408-A412 VanDerWaalsContact O-CB 3.25Å; V408-A412 WeakPolarHBondContact O-CB 3.13Å; V408-A412 PolarHBondContact O-N 2.94Å; T410-A412 PolarHBondContact O-N 3.01Å; A412-R415 PolarHBondContact O-N 3.24Å; A412-Q416 WeakPolarHBondContact O-CB 3.31Å; A412-Q416 WeakPolarHBondContact O-CG 3.45Å; A412-Q416 PolarHBondContact O-N 3.17Å; A412-Q416 VanDerWaalsContact O-N 3.07Å; A412-W536 VanDerWaalsContact C-CD1 3.45Å; A412-D539 HydrophobicContact CB-CB 3.9Å; A412-I540 HydrophobicContact CB-CD1 4.34Å; A412-I540 HydrophobicContact CB-CG1 3.66Å
413L97.8Very high96.8Very high1 Ų15 Ų51%0.0052%0.024CC..Hα-helixtrans-58.1-55.3178.5-178.370.3000110.6F409 T410 V411 R415 Q416 I417 Y424 L427 M428 T431F409-L413 VanDerWaalsContact O-CB 3.23Å; F409-L413 WeakPolarHBondContact O-CB 3.38Å; F409-L413 PolarHBondContact O-N 3.45Å; T410-L413 WeakPolarHBondContact O-CB 3.27Å; T410-L413 PolarHBondContact O-N 2.85Å; V411-L413 PolarHBondContact O-N 3.45Å; L413-R415 VanDerWaalsContact C-N 3.26Å; L413-R415 PolarHBondContact O-N 3.44Å; L413-Q416 PolarHBondContact O-N 3.18Å; L413-I417 HydrophobicContact CD1-CB 3.93Å; L413-I417 HydrophobicContact CD1-CG1 3.94Å; L413-I417 HydrophobicContact CD1-CG2 4.33Å; L413-I417 WeakPolarHBondContact O-CB 3.38Å; L413-I417 PolarHBondContact O-N 3.34Å; L413-Y424 HydrophobicContact CG-CD2 4.37Å; L413-L427 HydrophobicContact CD1-CB 4.09Å; L413-L427 HydrophobicContact CD1-CD1 4.04Å; L413-L427 HydrophobicContact CD2-CB 3.62Å; L413-M428 HydrophobicContact CD2-CG 4.25Å; L413-M428 HydrophobicContact CD2-SD 3.69Å; L413-M428 HydrophobicContact CG-SD 4.48Å; L413-T431 HydrophobicContact CD2-CG2 3.9Å
414L95.3Very high96.8Very high9 Ų94.9 Ų4.95%0.0472%0.023CC..Hα-helixtrans-59.6-37.2-177.4-67.3170000111.6Q146 Y150 T410 Y424 M428 L435Q146-L414 WeakPolarHBondContact CB-O 3.38Å; Q146-L414 WeakPolarHBondContact CG-O 3.25Å; Y150-L414 HydrophobicContact CD1-CD1 4.28Å; Y150-L414 HydrophobicContact CD2-CB 3.92Å; Y150-L414 HydrophobicContact CD2-CD1 4.3Å; Y150-L414 HydrophobicContact CE1-CD1 3.88Å; Y150-L414 HydrophobicContact CE2-CB 4.16Å; Y150-L414 HydrophobicContact CE2-CD1 3.92Å; Y150-L414 HydrophobicContact CE2-CG 4.44Å; Y150-L414 HydrophobicContact CG-CB 4.34Å; Y150-L414 HydrophobicContact CG-CD1 4.49Å; T410-L414 HydrophobicContact CG2-CD1 3.8Å; T410-L414 HydrophobicContact CG2-CG 4.46Å; T410-L414 VanDerWaalsContact O-CG 3.3Å; T410-L414 WeakPolarHBondContact O-CG 3.37Å; T410-L414 PolarHBondContact O-N 2.9Å; L414-Y424 HydrophobicContact CD2-CE2 4.24Å; L414-M428 HydrophobicContact CD2-CE 3.97Å; L414-M428 HydrophobicContact CD2-SD 3.81Å; L414-L435 HydrophobicContact CD1-CD1 4.04Å
415R92.4Very high96.9Very high17 Ų174.6 Ų4.66%0.0642%0.021CC..Hα-helixtrans-78.5-31.1-177.4-72.6167.153.578.14.1115.4R147 Y150 S151 C152 V411 A412 L413 D539R147-R415 VanDerWaalsContact CG-O 3.28Å; R147-R415 WeakPolarHBondContact CG-O 3.03Å; R147-R415 PolarHBondContact NE-O 3.1Å; Y150-R415 WeakPolarHBondContact O-CD 3.15Å; Y150-R415 WeakPolarHBondContact O-CG 3.29Å; Y150-R415 PolarHBondContact O-NH1 3.34Å; S151-R415 PolarHBondContact O-NH1 3.02Å; C152-R415 PolarHBondContact SG-NH2 3.42Å; V411-R415 VanDerWaalsContact CG1-CD 3.48Å; V411-R415 HydrophobicContact CG1-CG 4.33Å; V411-R415 WeakPolarHBondContact O-CB 3.42Å; V411-R415 VanDerWaalsContact O-CD 3.27Å; V411-R415 WeakPolarHBondContact O-CD 3.4Å; V411-R415 WeakPolarHBondContact O-CG 3.17Å; V411-R415 PolarHBondContact O-N 3.14Å; V411-R415 VanDerWaalsContact O-N 3.08Å; A412-R415 PolarHBondContact O-N 3.24Å; L413-R415 VanDerWaalsContact C-N 3.26Å; L413-R415 PolarHBondContact O-N 3.44Å; R415-D539 IonicContact CZ-OD2 3.62Å; R415-D539 IonicContact NE-OD2 2.82Å; R415-D539 PolarHBondContact NE-OD2 2.99Å; R415-D539 VanDerWaalsContact NE-OD2 3.09Å; R415-D539 IonicContact NH2-OD2 3.8Å
416Q95.8Very high96.9Very high12 Ų124.8 Ų4.86%0.0562%0.022CC..Hα-helixtrans-115.9-24.2-164.9-57.4-58.3-1100113.7A412 L413 A532 K535 W536 D539A412-Q416 WeakPolarHBondContact O-CB 3.31Å; A412-Q416 WeakPolarHBondContact O-CG 3.45Å; A412-Q416 PolarHBondContact O-N 3.17Å; A412-Q416 VanDerWaalsContact O-N 3.07Å; L413-Q416 PolarHBondContact O-N 3.18Å; Q416-A532 WeakPolarHBondContact O-CB 3.27Å; Q416-K535 HydrophobicContact CB-CB 4.28Å; Q416-K535 HydrophobicContact CG-CB 4.19Å; Q416-W536 HydrophobicContact CB-CB 3.98Å; Q416-D539 HydrophobicContact CG-CB 4.38Å; Q416-D539 WeakPolarHBondContact CG-OD2 3.36Å; Q416-D539 VanDerWaalsContact NE2-CG 3.27Å; Q416-D539 PolarHBondContact NE2-OD1 3.31Å; Q416-D539 PolarHBondContact NE2-OD2 3.01Å
417I97.7Very high96.9Very high0 Ų05 Ų50%02%0.023CC..SBendtrans-114.4116.9-175.2-52.6-58.9000108.8L413 H421 L423 Y424 A532 W536L413-I417 HydrophobicContact CD1-CB 3.93Å; L413-I417 HydrophobicContact CD1-CG1 3.94Å; L413-I417 HydrophobicContact CD1-CG2 4.33Å; L413-I417 WeakPolarHBondContact O-CB 3.38Å; L413-I417 PolarHBondContact O-N 3.34Å; I417-H421 HydrophobicContact CG2-CB 3.46Å; I417-H421 VanDerWaalsContact CG2-CB 3.46Å; I417-H421 VanDerWaalsContact CG2-CG 3.45Å; I417-L423 HydrophobicContact CD1-CD2 4.27Å; I417-L423 HydrophobicContact CG1-CD2 4.28Å; I417-L423 HydrophobicContact CG2-CB 4.29Å; I417-Y424 VanDerWaalsContact O-CD2 3.3Å; I417-Y424 WeakPolarHBondContact O-CD2 3.36Å; I417-A532 VanDerWaalsContact CD1-C 3.46Å; I417-A532 HydrophobicContact CD1-CB 4.02Å; I417-A532 WeakPolarHBondContact CD1-O 3.29Å; I417-W536 HydrophobicContact CD1-CB 3.6Å; I417-W536 HydrophobicContact CD1-CG 4.14Å; I417-W536 HydrophobicContact CG1-CB 3.86Å; I417-W536 HydrophobicContact CG1-CG 3.94Å
418P95.6Very high96.9Very high0 Ų06.1 Ų6.10%03%0.029CC..  trans-77.2163179.827.5-27.5000112.9W139 D142 L143 M420 H421 Y424W139-P418 HydrophobicContact CD2-CB 4.35Å; W139-P418 HydrophobicContact CD2-CG 3.49Å; W139-P418 VanDerWaalsContact CD2-CG 3.49Å; W139-P418 HydrophobicContact CE3-CG 3.76Å; W139-P418 HydrophobicContact CG-CG 4.14Å; W139-P418 HydrophobicContact CH2-CG 3.68Å; W139-P418 HydrophobicContact CZ2-CG 3.38Å; W139-P418 HydrophobicContact CZ3-CG 3.84Å; D142-P418 HydrophobicContact CB-CB 4.41Å; D142-P418 WeakPolarHBondContact OD2-CA 3.42Å; D142-P418 WeakPolarHBondContact OD2-CB 3.13Å; L143-P418 HydrophobicContact CD1-CG 4.46Å; L143-P418 HydrophobicContact CD2-CB 4.07Å; L143-P418 HydrophobicContact CD2-CG 4.35Å; L143-P418 HydrophobicContact CG-CB 4.01Å; L143-P418 HydrophobicContact CG-CG 4.28Å; P418-M420 VanDerWaalsContact C-N 3.29Å; P418-M420 HydrophobicContact CB-SD 3.75Å; P418-M420 HydrophobicContact CG-SD 4.3Å; P418-M420 PolarHBondContact O-N 2.6Å; P418-M420 VanDerWaalsContact O-N 3.17Å; P418-H421 HydrophobicContact CG-CB 4.29Å; P418-H421 WeakPolarHBondContact O-CB 3.31Å; P418-H421 PolarHBondContact O-N 3.02Å; P418-Y424 VanDerWaalsContact O-CB 3.26Å; P418-Y424 WeakPolarHBondContact O-CB 3.3Å
419M94.8Very high96.9Very high17 Ų177.2 Ų7.28%0.0844%0.036CC..THydrogen-bonded Turntrans-55.3-36.5-172.9-76.6-176.755.500116I107 R109 D142 H421 Y424I107-M419 WeakPolarHBondContact O-CE 3.36Å; R109-M419 PolarHBondContact NH2-SD 3.48Å; D142-M419 PolarHBondContact OD2-N 3.09Å; M419-H421 VanDerWaalsContact C-N 3.26Å; M419-H421 PolarHBondContact O-N 2.93Å; M419-Y424 VanDerWaalsContact CA-CD1 3.45Å; M419-Y424 HydrophobicContact CB-CD1 4.26Å; M419-Y424 HydrophobicContact CB-CE1 4Å; M419-Y424 HydrophobicContact CG-CD1 4.32Å; M419-Y424 HydrophobicContact CG-CE1 3.61Å; M419-Y424 HydrophobicContact CG-CE2 4.35Å; M419-Y424 WeakPolarHBondContact O-CD1 3.36Å
420M94.4Very high96.9Very high11 Ų117 Ų75%0.0544%0.035CC..THydrogen-bonded Turntrans-75.9-13.5179.949.2-76.8-59.500112.7Q120 A124 K125 C138 W139 P418 K425Q120-M420 HydrophobicContact CB-CE 3.56Å; A124-M420 WeakPolarHBondContact CA-O 3.38Å; K125-M420 PolarHBondContact N-O 3.09Å; K125-M420 VanDerWaalsContact N-O 3.12Å; C138-M420 HydrophobicContact CB-CE 3.97Å; W139-M420 HydrophobicContact CE3-CG 3.58Å; W139-M420 HydrophobicContact CE3-SD 4.11Å; W139-M420 HydrophobicContact CZ3-CG 3.87Å; P418-M420 VanDerWaalsContact C-N 3.29Å; P418-M420 HydrophobicContact CB-SD 3.75Å; P418-M420 HydrophobicContact CG-SD 4.3Å; P418-M420 PolarHBondContact O-N 2.6Å; P418-M420 VanDerWaalsContact O-N 3.17Å; M420-K425 WeakPolarHBondContact O-CE 3.18Å
421H98.1Very high96.9Very high0 Ų07.7 Ų7.70%04%0.039CC..SBendtrans-71.6138.6-178.4-170.4-73.3000111.4W139 I417 P418 M419 L423 Y424 K425 Y521 D530W139-H421 HydrophobicContact CH2-CB 4.32Å; W139-H421 AromaticContact CH2-CD2 3.76Å; I417-H421 HydrophobicContact CG2-CB 3.46Å; I417-H421 VanDerWaalsContact CG2-CB 3.46Å; I417-H421 VanDerWaalsContact CG2-CG 3.45Å; P418-H421 HydrophobicContact CG-CB 4.29Å; P418-H421 WeakPolarHBondContact O-CB 3.31Å; P418-H421 PolarHBondContact O-N 3.02Å; M419-H421 VanDerWaalsContact C-N 3.26Å; M419-H421 PolarHBondContact O-N 2.93Å; H421-L423 VanDerWaalsContact C-N 3.3Å; H421-L423 VanDerWaalsContact CE1-CB 3.42Å; H421-L423 WeakPolarHBondContact CE1-CB 3.48Å; H421-L423 WeakPolarHBondContact ND1-CB 3.18Å; H421-L423 PolarHBondContact ND1-N 3.06Å; H421-L423 PolarHBondContact O-N 3.18Å; H421-Y424 WeakPolarHBondContact O-CB 3.41Å; H421-Y424 PolarHBondContact O-N 3.41Å; H421-K425 PolarHBondContact O-N 2.78Å; H421-Y521 PolarHBondContact CE1-OH 3.45Å; H421-Y521 PolarHBondContact NE2-OH 2.58Å; H421-D530 IonicContact CE1-OD2 2.71Å; H421-D530 IonicContact NE2-OD1 2.82Å; H421-D530 IonicContact NE2-OD2 3.22Å; H421-D530 PolarHBondContact NE2-OD2 3.41Å
422P98.2Very high96.9Very high0 Ų010.6 Ų10.60%05%0.05CC..Hα-helixtrans-58.6-38.6-178.120.9-33000113.4A124 F126 Y424 K425 L426 Y520A124-P422 HydrophobicContact CB-CB 3.99Å; F126-P422 HydrophobicContact CD1-CG 4.48Å; F126-P422 HydrophobicContact CE1-CG 3.64Å; F126-P422 HydrophobicContact CZ-CG 3.89Å; P422-Y424 PolarHBondContact O-N 3.5Å; P422-K425 PolarHBondContact O-N 3.4Å; P422-L426 WeakPolarHBondContact O-CB 3.45Å; P422-L426 PolarHBondContact O-N 2.67Å; P422-Y520 HydrophobicContact CB-CD1 4.11Å; P422-Y520 HydrophobicContact CB-CD2 3.41Å; P422-Y520 VanDerWaalsContact CB-CD2 3.41Å; P422-Y520 HydrophobicContact CB-CE1 4.32Å; P422-Y520 HydrophobicContact CB-CE2 3.64Å; P422-Y520 HydrophobicContact CB-CG 3.66Å; P422-Y520 HydrophobicContact CG-CD1 4.33Å; P422-Y520 HydrophobicContact CG-CD2 4.17Å; P422-Y520 HydrophobicContact CG-CG 3.94Å
423L98.6Very high96.9Very high1 Ų111.6 Ų11.61%0.0055%0.054CC..Hα-helixtrans-61.6-37.2174.7-171.862.6000113.8I417 H421 L426 L427 L533 W536 V567I417-L423 HydrophobicContact CD1-CD2 4.27Å; I417-L423 HydrophobicContact CG1-CD2 4.28Å; I417-L423 HydrophobicContact CG2-CB 4.29Å; H421-L423 VanDerWaalsContact C-N 3.3Å; H421-L423 VanDerWaalsContact CE1-CB 3.42Å; H421-L423 WeakPolarHBondContact CE1-CB 3.48Å; H421-L423 WeakPolarHBondContact ND1-CB 3.18Å; H421-L423 PolarHBondContact ND1-N 3.06Å; H421-L423 PolarHBondContact O-N 3.18Å; L423-L426 PolarHBondContact O-N 3.38Å; L423-L427 HydrophobicContact CD1-CD1 3.59Å; L423-L427 HydrophobicContact CD1-CG 3.92Å; L423-L427 HydrophobicContact CD2-CD1 4.47Å; L423-L427 HydrophobicContact CG-CD1 3.87Å; L423-L427 HydrophobicContact CG-CG 4.42Å; L423-L427 WeakPolarHBondContact O-CB 3.28Å; L423-L427 PolarHBondContact O-N 3.05Å; L423-L533 HydrophobicContact CD2-CD1 3.69Å; L423-W536 HydrophobicContact CD2-CD2 3.96Å; L423-W536 HydrophobicContact CD2-CE3 3.64Å; L423-W536 HydrophobicContact CD2-CH2 4.1Å; L423-W536 HydrophobicContact CD2-CZ2 4.42Å; L423-W536 HydrophobicContact CD2-CZ3 3.7Å; L423-V567 HydrophobicContact CD1-CG1 4.24Å; L423-V567 HydrophobicContact CD1-CG2 3.55Å
424Y98.5Very high96.9Very high7 Ų711.5 Ų11.53%0.0275%0.053CC..Hα-helixtrans-62.7-52.4175.1-176.7-88.6000110.1L413 L414 I417 P418 M419 H421 P422 L426 L427 M428L413-Y424 HydrophobicContact CG-CD2 4.37Å; L414-Y424 HydrophobicContact CD2-CE2 4.24Å; I417-Y424 VanDerWaalsContact O-CD2 3.3Å; I417-Y424 WeakPolarHBondContact O-CD2 3.36Å; P418-Y424 VanDerWaalsContact O-CB 3.26Å; P418-Y424 WeakPolarHBondContact O-CB 3.3Å; M419-Y424 VanDerWaalsContact CA-CD1 3.45Å; M419-Y424 HydrophobicContact CB-CD1 4.26Å; M419-Y424 HydrophobicContact CB-CE1 4Å; M419-Y424 HydrophobicContact CG-CD1 4.32Å; M419-Y424 HydrophobicContact CG-CE1 3.61Å; M419-Y424 HydrophobicContact CG-CE2 4.35Å; M419-Y424 WeakPolarHBondContact O-CD1 3.36Å; H421-Y424 WeakPolarHBondContact O-CB 3.41Å; H421-Y424 PolarHBondContact O-N 3.41Å; P422-Y424 PolarHBondContact O-N 3.5Å; Y424-L426 PolarHBondContact O-N 3.16Å; Y424-L427 PolarHBondContact O-N 3.35Å; Y424-M428 HydrophobicContact CD1-CG 3.42Å; Y424-M428 VanDerWaalsContact CD1-CG 3.42Å; Y424-M428 HydrophobicContact CD1-SD 4.45Å; Y424-M428 HydrophobicContact CD2-CG 3.85Å; Y424-M428 HydrophobicContact CD2-SD 3.91Å; Y424-M428 HydrophobicContact CE1-CB 4.43Å; Y424-M428 HydrophobicContact CE1-CG 3.26Å; Y424-M428 HydrophobicContact CE1-SD 4Å; Y424-M428 HydrophobicContact CE2-CE 4.35Å; Y424-M428 HydrophobicContact CE2-CG 3.68Å; Y424-M428 HydrophobicContact CE2-SD 3.38Å; Y424-M428 WeakPolarHBondContact CE2-SD 3.4Å; Y424-M428 HydrophobicContact CG-CG 3.73Å; Y424-M428 HydrophobicContact CG-SD 4.41Å; Y424-M428 WeakPolarHBondContact O-CB 3.49Å; Y424-M428 WeakPolarHBondContact O-CG 3.39Å; Y424-M428 PolarHBondContact O-N 3.5Å
425K98.4Very high96.8Very high11 Ų1111.3 Ų11.35%0.0485%0.052CC..Hα-helixtrans-56.8-37.4179.9-63.4169.9-179.3-87.20112G122 A124 M420 H421 P422 R652 F653G122-K425 PolarHBondContact O-NZ 3.14Å; A124-K425 HydrophobicContact CB-CD 3.62Å; M420-K425 WeakPolarHBondContact O-CE 3.18Å; H421-K425 PolarHBondContact O-N 2.78Å; P422-K425 PolarHBondContact O-N 3.4Å; K425-R652 HydrophobicContact CB-CB 4.01Å; K425-R652 WeakPolarHBondContact CD-O 3.33Å; K425-R652 HydrophobicContact CG-CB 4.07Å; K425-R652 PolarHBondContact NZ-O 3.34Å; K425-F653 HydrophobicContact CB-CD1 4.05Å; K425-F653 HydrophobicContact CB-CD2 4.23Å; K425-F653 HydrophobicContact CB-CE1 3.6Å; K425-F653 HydrophobicContact CB-CE2 3.8Å; K425-F653 HydrophobicContact CB-CG 4.35Å; K425-F653 HydrophobicContact CB-CZ 3.47Å; K425-F653 VanDerWaalsContact CB-CZ 3.47Å; K425-F653 HydrophobicContact CD-CD1 3.87Å; K425-F653 HydrophobicContact CD-CE1 3.83Å; K425-F653 HydrophobicContact CG-CE1 4.37Å
426L98.7Very high96.8Very high4 Ų410.7 Ų10.72%0.0215%0.05CC..Hα-helixtrans-72-44.7177.5-178.859.1000113.2P422 L423 Y424 H430 F512 V513 T516 L517 V567 I571 F653P422-L426 WeakPolarHBondContact O-CB 3.45Å; P422-L426 PolarHBondContact O-N 2.67Å; L423-L426 PolarHBondContact O-N 3.38Å; Y424-L426 PolarHBondContact O-N 3.16Å; L426-H430 PolarHBondContact O-CD2 2.73Å; L426-F512 HydrophobicContact CD1-CD1 4.4Å; L426-F512 HydrophobicContact CD1-CE1 3.48Å; L426-F512 VanDerWaalsContact CD1-CE1 3.48Å; L426-F512 HydrophobicContact CD1-CZ 3.61Å; L426-V513 HydrophobicContact CD2-CG1 4.48Å; L426-T516 HydrophobicContact CD1-CG2 4.47Å; L426-L517 HydrophobicContact CD2-CD1 4.3Å; L426-L517 HydrophobicContact CD2-CD2 3.84Å; L426-L517 HydrophobicContact CD2-CG 3.95Å; L426-V567 HydrophobicContact CD2-CG1 3.8Å; L426-I571 HydrophobicContact CD1-CD1 4.4Å; L426-I571 HydrophobicContact CG-CD1 4.39Å; L426-F653 HydrophobicContact CB-CE2 4.37Å; L426-F653 HydrophobicContact CB-CZ 4.19Å
427L98.8Very high96.8Very high4 Ų410.6 Ų10.62%0.0215%0.05CC..Hα-helixtrans-90.1-24.6-171.2-73.9-179.5000114.7L413 L423 Y424 P429 H430 W536 V567 V570 I571L413-L427 HydrophobicContact CD1-CB 4.09Å; L413-L427 HydrophobicContact CD1-CD1 4.04Å; L413-L427 HydrophobicContact CD2-CB 3.62Å; L423-L427 HydrophobicContact CD1-CD1 3.59Å; L423-L427 HydrophobicContact CD1-CG 3.92Å; L423-L427 HydrophobicContact CD2-CD1 4.47Å; L423-L427 HydrophobicContact CG-CD1 3.87Å; L423-L427 HydrophobicContact CG-CG 4.42Å; L423-L427 WeakPolarHBondContact O-CB 3.28Å; L423-L427 PolarHBondContact O-N 3.05Å; Y424-L427 PolarHBondContact O-N 3.35Å; L427-P429 VanDerWaalsContact C-CD 3.45Å; L427-H430 WeakPolarHBondContact O-CA 3.27Å; L427-H430 WeakPolarHBondContact O-CB 3.5Å; L427-H430 PolarHBondContact O-N 2.92Å; L427-W536 HydrophobicContact CD1-CH2 3.99Å; L427-W536 HydrophobicContact CD1-CZ2 3.61Å; L427-V567 HydrophobicContact CD2-CG1 4.01Å; L427-V567 HydrophobicContact CG-CG1 4.48Å; L427-V570 HydrophobicContact CD1-CG1 4.42Å; L427-V570 HydrophobicContact CD2-CB 4.43Å; L427-V570 HydrophobicContact CD2-CG1 3.82Å; L427-I571 HydrophobicContact CD2-CD1 4.19Å; L427-I571 HydrophobicContact CD2-CG1 3.68Å
428M97.5Very high96.6Very high25 Ų2510.8 Ų10.812%0.1235%0.051CC..G310 helixtrans-55-39.1-176.5-80.8-54.9-63.300115.5L413 L414 Y424 H430 T431L413-M428 HydrophobicContact CD2-CG 4.25Å; L413-M428 HydrophobicContact CD2-SD 3.69Å; L413-M428 HydrophobicContact CG-SD 4.48Å; L414-M428 HydrophobicContact CD2-CE 3.97Å; L414-M428 HydrophobicContact CD2-SD 3.81Å; Y424-M428 HydrophobicContact CD1-CG 3.42Å; Y424-M428 VanDerWaalsContact CD1-CG 3.42Å; Y424-M428 HydrophobicContact CD1-SD 4.45Å; Y424-M428 HydrophobicContact CD2-CG 3.85Å; Y424-M428 HydrophobicContact CD2-SD 3.91Å; Y424-M428 HydrophobicContact CE1-CB 4.43Å; Y424-M428 HydrophobicContact CE1-CG 3.26Å; Y424-M428 HydrophobicContact CE1-SD 4Å; Y424-M428 HydrophobicContact CE2-CE 4.35Å; Y424-M428 HydrophobicContact CE2-CG 3.68Å; Y424-M428 HydrophobicContact CE2-SD 3.38Å; Y424-M428 WeakPolarHBondContact CE2-SD 3.4Å; Y424-M428 HydrophobicContact CG-CG 3.73Å; Y424-M428 HydrophobicContact CG-SD 4.41Å; Y424-M428 WeakPolarHBondContact O-CB 3.49Å; Y424-M428 WeakPolarHBondContact O-CG 3.39Å; Y424-M428 PolarHBondContact O-N 3.5Å; M428-H430 PolarHBondContact O-N 2.82Å; M428-T431 PolarHBondContact O-N 3.25Å; M428-T431 PolarHBondContact O-OG1 2.88Å
429P97.4Very high96.4Very high22 Ų2210.9 Ų10.914%0.1435%0.051CC..G310 helixtrans-59.7-26.1174.4-24.535.4000113.2L427 T431 Y648L427-P429 VanDerWaalsContact C-CD 3.45Å; P429-T431 VanDerWaalsContact C-N 3.33Å; P429-Y648 HydrophobicContact CB-CD1 3.6Å; P429-Y648 HydrophobicContact CB-CE1 3.75Å; P429-Y648 HydrophobicContact CG-CD1 3.9Å; P429-Y648 HydrophobicContact CG-CE1 4.22Å
430H98.6Very high96.3Very high1 Ų110.5 Ų10.51%0.0055%0.05CC..G310 helixtrans-90.17.1-177.4-57.4-69.5000113.8L426 L427 M428 C574 Y648 N697 S698L426-H430 PolarHBondContact O-CD2 2.73Å; L427-H430 WeakPolarHBondContact O-CA 3.27Å; L427-H430 WeakPolarHBondContact O-CB 3.5Å; L427-H430 PolarHBondContact O-N 2.92Å; M428-H430 PolarHBondContact O-N 2.82Å; H430-C574 HydrophobicContact CB-CB 4.34Å; H430-C574 WeakPolarHBondContact O-CB 3.4Å; H430-Y648 AromaticContact CE1-CE1 3.95Å; H430-Y648 PolarHBondContact CE1-OH 2.93Å; H430-Y648 AromaticContact NE2-CE1 3.83Å; H430-Y648 AromaticContact NE2-CZ 3.84Å; H430-Y648 PolarHBondContact NE2-OH 3.16Å; H430-Y648 VanDerWaalsContact NE2-OH 3.1Å; H430-N697 WeakPolarHBondContact CA-O 3.46Å; H430-N697 PolarHBondContact ND1-O 3.24Å; H430-S698 WeakPolarHBondContact O-CB 3.43Å
431T97.2Very high96.2Very high16 Ų1610.6 Ų10.610%0.0985%0.053CC..G310 helixtrans-1160.6176.867.60000113.3T410 L413 M428 P429 Y433 T434T410-T431 HydrophobicContact CG2-CG2 4.03Å; T410-T431 VanDerWaalsContact OG1-CB 3.31Å; T410-T431 WeakPolarHBondContact OG1-CB 3.08Å; T410-T431 WeakPolarHBondContact OG1-CG2 3.49Å; L413-T431 HydrophobicContact CD2-CG2 3.9Å; M428-T431 PolarHBondContact O-N 3.25Å; M428-T431 PolarHBondContact O-OG1 2.88Å; P429-T431 VanDerWaalsContact C-N 3.33Å; T431-Y433 PolarHBondContact O-N 2.98Å; T431-T434 PolarHBondContact O-N 3.3Å
432R95.3Very high95.8Very high65 Ų6513.2 Ų13.225%0.2456%0.062CC..THydrogen-bonded Turntrans-58.1125.5-173.8-179177.4-179.7-111.39.4109.9T434 D641 S698R432-T434 PolarHBondContact O-N 3.29Å; R432-D641 IonicContact CZ-OD2 3.75Å; R432-D641 PolarHBondContact NH1-O 3.32Å; R432-D641 PolarHBondContact NH2-O 2.95Å; R432-D641 IonicContact NH2-OD2 3.48Å; R432-D641 PolarHBondContact NH2-OD2 3.49Å; R432-S698 WeakPolarHBondContact O-CB 3.4Å; R432-S698 PolarHBondContact O-OG 3.25Å
433Y95.6Very high95.4Very high20 Ų2016 Ų168%0.0788%0.075CC..THydrogen-bonded Turntrans63.7-5.7177.7-54.7-28.7000118.2S204 F205 S206 K209 T431 L435 M436 I437 D641S204-Y433 WeakPolarHBondContact O-CE1 3.43Å; F205-Y433 AromaticContact CD1-CD1 3.76Å; F205-Y433 HydrophobicContact CD1-CD1 3.76Å; F205-Y433 AromaticContact CD1-CD2 3.75Å; F205-Y433 HydrophobicContact CD1-CD2 3.75Å; F205-Y433 HydrophobicContact CD1-CE1 4.24Å; F205-Y433 HydrophobicContact CD1-CE2 4.2Å; F205-Y433 AromaticContact CD1-CG 3.49Å; F205-Y433 HydrophobicContact CD1-CG 3.49Å; F205-Y433 VanDerWaalsContact CD1-CG 3.49Å; F205-Y433 HydrophobicContact CE1-CD2 4.02Å; F205-Y433 AromaticContact CE1-CG 3.85Å; F205-Y433 HydrophobicContact CE1-CG 3.85Å; S206-Y433 WeakPolarHBondContact CB-OH 3.14Å; S206-Y433 PolarHBondContact N-OH 2.86Å; S206-Y433 VanDerWaalsContact N-OH 3.13Å; S206-Y433 PolarHBondContact OG-OH 3.21Å; S206-Y433 VanDerWaalsContact OG-OH 3.11Å; K209-Y433 HydrophobicContact CB-CE2 4.25Å; K209-Y433 HydrophobicContact CD-CE2 4.36Å; K209-Y433 HydrophobicContact CG-CD2 4.39Å; K209-Y433 HydrophobicContact CG-CE2 3.99Å; T431-Y433 PolarHBondContact O-N 2.98Å; Y433-L435 VanDerWaalsContact C-N 3.29Å; Y433-L435 PolarHBondContact O-N 3.31Å; Y433-M436 WeakPolarHBondContact O-CB 3.44Å; Y433-M436 PolarHBondContact O-N 3.37Å; Y433-I437 PolarHBondContact O-N 2.69Å; Y433-D641 PolarHBondContact OH-OD2 2.83Å
434T97.3Very high94.9Very high0 Ų019.9 Ų19.90%010%0.096CC..Hα-helixtrans-54.3-42.8-177.8-58.40000112.9A406 E407 T431 R432 I437 N438 V699A406-T434 HydrophobicContact CB-CG2 3.68Å; E407-T434 HydrophobicContact CB-CG2 4.28Å; T431-T434 PolarHBondContact O-N 3.3Å; R432-T434 PolarHBondContact O-N 3.29Å; T434-I437 WeakPolarHBondContact O-CG2 2.88Å; T434-N438 WeakPolarHBondContact O-CB 3.24Å; T434-N438 VanDerWaalsContact O-CG 3.32Å; T434-N438 PolarHBondContact O-N 3.06Å; T434-N438 VanDerWaalsContact O-N 3.12Å; T434-N438 PolarHBondContact O-OD1 3.05Å; T434-V699 VanDerWaalsContact CA-O 3.24Å; T434-V699 WeakPolarHBondContact CA-O 3.22Å; T434-V699 HydrophobicContact CG2-CB 4.4Å; T434-V699 PolarHBondContact N-O 3.25Å; T434-V699 PolarHBondContact OG1-O 3.36Å
435L94.8Very high94.5Very high4 Ų421.1 Ų21.12%0.02110%0.103CC..Hα-helixtrans-64.8-42.7177.1-58.2-175.5000112.3Y150 I191 L199 A203 E407 T410 V411 L414 Y433 C439Y150-L435 HydrophobicContact CD1-CD1 4.36Å; Y150-L435 HydrophobicContact CE1-CD1 3.79Å; I191-L435 HydrophobicContact CD1-CD1 3.97Å; I191-L435 HydrophobicContact CG2-CD2 4.49Å; L199-L435 HydrophobicContact CD1-CB 4.45Å; A203-L435 HydrophobicContact CB-CB 4.26Å; A203-L435 HydrophobicContact CB-CD1 3.94Å; E407-L435 HydrophobicContact CB-CD2 4.4Å; E407-L435 HydrophobicContact CG-CD2 3.82Å; T410-L435 HydrophobicContact CG2-CD1 4Å; T410-L435 HydrophobicContact CG2-CD2 3.82Å; T410-L435 HydrophobicContact CG2-CG 3.75Å; V411-L435 HydrophobicContact CG2-CD2 3.67Å; L414-L435 HydrophobicContact CD1-CD1 4.04Å; Y433-L435 VanDerWaalsContact C-N 3.29Å; Y433-L435 PolarHBondContact O-N 3.31Å; L435-C439 WeakPolarHBondContact O-CB 3.34Å; L435-C439 PolarHBondContact O-N 2.58Å; L435-C439 PolarHBondContact O-SG 3.18Å
436M92.8Very high94.2Very high4 Ų421.4 Ų21.42%0.0211%0.105CC..Hα-helixtrans-63.4-49.5-180-178.271.5-173.300111.6Y196 L199 A203 F205 Y433 N438 C439 L440Y196-M436 HydrophobicContact CD2-CE 3.68Å; Y196-M436 HydrophobicContact CG-CE 4.06Å; L199-M436 HydrophobicContact CD1-CB 4.18Å; L199-M436 HydrophobicContact CD1-SD 4.01Å; A203-M436 WeakPolarHBondContact O-CB 3.48Å; F205-M436 HydrophobicContact CB-CG 4.29Å; F205-M436 HydrophobicContact CD1-CB 4.11Å; F205-M436 HydrophobicContact CD1-CG 3.77Å; F205-M436 HydrophobicContact CD2-CE 3.96Å; F205-M436 HydrophobicContact CD2-CG 3.63Å; F205-M436 HydrophobicContact CE1-CB 4.19Å; F205-M436 HydrophobicContact CE1-CG 3.97Å; F205-M436 HydrophobicContact CE2-CE 4.42Å; F205-M436 HydrophobicContact CE2-CG 3.8Å; F205-M436 HydrophobicContact CG-CB 4.4Å; F205-M436 HydrophobicContact CG-CG 3.59Å; F205-M436 HydrophobicContact CZ-CB 4.5Å; F205-M436 HydrophobicContact CZ-CG 3.96Å; Y433-M436 WeakPolarHBondContact O-CB 3.44Å; Y433-M436 PolarHBondContact O-N 3.37Å; M436-N438 PolarHBondContact O-N 2.73Å; M436-C439 PolarHBondContact O-N 3.25Å; M436-L440 HydrophobicContact CE-CD1 4Å; M436-L440 HydrophobicContact CE-CD2 4.47Å; M436-L440 HydrophobicContact CE-CG 4.22Å; M436-L440 HydrophobicContact CG-CD1 4.4Å; M436-L440 PolarHBondContact O-N 3.4Å
437I94.1Very high93.7Very high11 Ų1122.8 Ų22.86%0.05611%0.114CC..Hα-helixtrans-66.6-39.6-177.2-170.664.6000111.3F205 M213 Y433 T434 C439 L440 A441 V701F205-I437 HydrophobicContact CE1-CB 4.5Å; F205-I437 HydrophobicContact CZ-CB 4.14Å; F205-I437 HydrophobicContact CZ-CD1 4.05Å; M213-I437 HydrophobicContact CE-CD1 3.92Å; Y433-I437 PolarHBondContact O-N 2.69Å; T434-I437 WeakPolarHBondContact O-CG2 2.88Å; I437-C439 PolarHBondContact O-N 2.81Å; I437-L440 HydrophobicContact CD1-CD1 4.49Å; I437-L440 WeakPolarHBondContact O-CB 3.22Å; I437-L440 PolarHBondContact O-N 3.47Å; I437-A441 WeakPolarHBondContact O-CB 3.48Å; I437-A441 PolarHBondContact O-N 2.88Å; I437-V701 WeakPolarHBondContact CD1-OXT 3.32Å; I437-V701 WeakPolarHBondContact CG1-OXT 3.22Å
438N94.7Very high93.2Very high3 Ų328.1 Ų28.12%0.01614%0.143CC..Hα-helixtrans-68-35.5177-73.115.3000112.7H403 E407 T434 M436 A441 R442H403-N438 VanDerWaalsContact C-ND2 3.3Å; H403-N438 WeakPolarHBondContact CB-OD1 3.46Å; H403-N438 PolarHBondContact ND1-OD1 2.59Å; H403-N438 PolarHBondContact O-ND2 3.07Å; E407-N438 VanDerWaalsContact CB-ND2 3.27Å; E407-N438 WeakPolarHBondContact CB-ND2 3.36Å; E407-N438 VanDerWaalsContact OE2-CB 3.29Å; E407-N438 WeakPolarHBondContact OE2-CB 3.38Å; E407-N438 PolarHBondContact OE2-ND2 3.24Å; T434-N438 WeakPolarHBondContact O-CB 3.24Å; T434-N438 VanDerWaalsContact O-CG 3.32Å; T434-N438 PolarHBondContact O-N 3.06Å; T434-N438 VanDerWaalsContact O-N 3.12Å; T434-N438 PolarHBondContact O-OD1 3.05Å; M436-N438 PolarHBondContact O-N 2.73Å; N438-A441 PolarHBondContact O-N 3.37Å; N438-R442 PolarHBondContact O-N 3.07Å
439C91.8Very high92.7Very high2 Ų233.6 Ų33.61%0.01417%0.173CC..Hα-helixtrans-62.7-41.3171-84.70000112.1L199 L435 M436 I437 R442 Q443L199-C439 HydrophobicContact CD1-CB 4.01Å; L435-C439 WeakPolarHBondContact O-CB 3.34Å; L435-C439 PolarHBondContact O-N 2.58Å; L435-C439 PolarHBondContact O-SG 3.18Å; M436-C439 PolarHBondContact O-N 3.25Å; I437-C439 PolarHBondContact O-N 2.81Å; C439-R442 PolarHBondContact SG-NH2 2.79Å; C439-Q443 WeakPolarHBondContact O-CG 3.35Å; C439-Q443 PolarHBondContact O-N 2.65Å; C439-Q443 PolarHBondContact O-NE2 3.05Å
440L91.2Very high92.4Very high9 Ų932.6 Ų32.65%0.04717%0.167CC..Hα-helixtrans-63.6-46.8174.1-75.3170000111.5Y196 F205 W214 M436 I437 R442 Q443 L444Y196-L440 HydrophobicContact CD1-CD2 3.44Å; Y196-L440 VanDerWaalsContact CD1-CD2 3.44Å; Y196-L440 HydrophobicContact CD1-CG 4.47Å; Y196-L440 HydrophobicContact CD2-CD2 4.38Å; Y196-L440 HydrophobicContact CE1-CD2 3.96Å; Y196-L440 HydrophobicContact CG-CD2 3.7Å; Y196-L440 HydrophobicContact CG-CG 4.4Å; F205-L440 HydrophobicContact CD2-CD1 4.29Å; F205-L440 HydrophobicContact CE2-CD1 3.45Å; F205-L440 VanDerWaalsContact CE2-CD1 3.45Å; F205-L440 HydrophobicContact CZ-CD1 4.1Å; W214-L440 HydrophobicContact CH2-CD2 4.23Å; W214-L440 HydrophobicContact CZ2-CD2 4.31Å; M436-L440 HydrophobicContact CE-CD1 4Å; M436-L440 HydrophobicContact CE-CD2 4.47Å; M436-L440 HydrophobicContact CE-CG 4.22Å; M436-L440 HydrophobicContact CG-CD1 4.4Å; M436-L440 PolarHBondContact O-N 3.4Å; I437-L440 HydrophobicContact CD1-CD1 4.49Å; I437-L440 WeakPolarHBondContact O-CB 3.22Å; I437-L440 PolarHBondContact O-N 3.47Å; L440-R442 PolarHBondContact O-N 3.33Å; L440-Q443 PolarHBondContact O-N 3.11Å; L440-Q443 VanDerWaalsContact O-N 3.1Å; L440-L444 HydrophobicContact CD2-CD1 4.03Å; L440-L444 WeakPolarHBondContact O-CB 3.48Å; L440-L444 PolarHBondContact O-N 3.28Å
441A92.1Very high92.1Very high14 Ų1435.4 Ų35.412%0.11618%0.181CC..Iπ-helixtrans-57-47.7176.800000111.3I437 N438 Q443 L445 I446I437-A441 WeakPolarHBondContact O-CB 3.48Å; I437-A441 PolarHBondContact O-N 2.88Å; N438-A441 PolarHBondContact O-N 3.37Å; A441-Q443 PolarHBondContact O-N 3.28Å; A441-L445 HydrophobicContact CB-CB 4.34Å; A441-L445 HydrophobicContact CB-CD2 4.35Å; A441-L445 CarbonylContact O-C 3.29Å; A441-L445 WeakPolarHBondContact O-CA 3.41Å; A441-L445 VanDerWaalsContact O-CB 3.28Å; A441-L445 WeakPolarHBondContact O-CB 3.48Å; A441-L445 PolarHBondContact O-N 2.97Å; A441-I446 WeakPolarHBondContact O-CG1 3.45Å; A441-I446 PolarHBondContact O-N 3.04Å
442R90.8Very high91.9Very high54 Ų5435 Ų3520%0.20418%0.178CC..Iπ-helixtrans-57.3-34.2176.3-81.5-173.1-70.8-86.85.6113.7E407 N438 C439 L440 I446 S447E407-R442 IonicContact OE1-CZ 3.66Å; E407-R442 IonicContact OE1-NH1 3.91Å; E407-R442 PolarHBondContact OE1-NH1 3.27Å; E407-R442 IonicContact OE1-NH2 3.96Å; E407-R442 PolarHBondContact OE1-NH2 3.41Å; E407-R442 IonicContact OE2-CZ 2.73Å; E407-R442 IonicContact OE2-NH1 3.56Å; E407-R442 PolarHBondContact OE2-NH1 2.86Å; E407-R442 IonicContact OE2-NH2 3.35Å; E407-R442 PolarHBondContact OE2-NH2 3.33Å; N438-R442 PolarHBondContact O-N 3.07Å; C439-R442 PolarHBondContact SG-NH2 2.79Å; L440-R442 PolarHBondContact O-N 3.33Å; R442-I446 HydrophobicContact CG-CD1 4.1Å; R442-I446 HydrophobicContact CG-CG1 4.4Å; R442-S447 VanDerWaalsContact O-CB 3.3Å; R442-S447 WeakPolarHBondContact O-CB 3.31Å; R442-S447 PolarHBondContact O-N 3.12Å
443Q88.6Confident91.9Very high58 Ų5833 Ų3327%0.27117%0.173SC..Iπ-helixtrans-87.7-42.3-176.3-74.3166.235.800112.8S195 C439 L440 A441 S447S195-Q443 VanDerWaalsContact C-NE2 3.31Å; S195-Q443 VanDerWaalsContact CA-NE2 3.26Å; C439-Q443 WeakPolarHBondContact O-CG 3.35Å; C439-Q443 PolarHBondContact O-N 2.65Å; C439-Q443 PolarHBondContact O-NE2 3.05Å; L440-Q443 PolarHBondContact O-N 3.11Å; L440-Q443 VanDerWaalsContact O-N 3.1Å; A441-Q443 PolarHBondContact O-N 3.28Å; Q443-S447 WeakPolarHBondContact O-CB 3.28Å; Q443-S447 PolarHBondContact O-OG 2.67Å
444L89.3Confident91.8Very high83 Ų8336.6 Ų36.644%0.43519%0.189SC..Iπ-helixtrans-106.9-26.7-168-56-179.6000113.4W214 L440 G450 I451W214-L444 HydrophobicContact CH2-CD1 4.1Å; W214-L444 HydrophobicContact CZ3-CD1 4.25Å; L440-L444 HydrophobicContact CD2-CD1 4.03Å; L440-L444 WeakPolarHBondContact O-CB 3.48Å; L440-L444 PolarHBondContact O-N 3.28Å; L444-G450 CarbonylContact O-C 3.59Å; L444-G450 WeakPolarHBondContact O-CA 3.48Å; L444-I451 PolarHBondContact O-N 2.96Å
445L90.9Very high91.7Very high33 Ų3336.8 Ų36.817%0.17319%0.19CC..Iπ-helixtrans-103.4-57.9-172.6-177.360.1000112.4A441 G450 I451 F452 L635A441-L445 HydrophobicContact CB-CB 4.34Å; A441-L445 HydrophobicContact CB-CD2 4.35Å; A441-L445 CarbonylContact O-C 3.29Å; A441-L445 WeakPolarHBondContact O-CA 3.41Å; A441-L445 VanDerWaalsContact O-CB 3.28Å; A441-L445 WeakPolarHBondContact O-CB 3.48Å; A441-L445 PolarHBondContact O-N 2.97Å; L445-G450 CarbonylContact O-C 3.6Å; L445-G450 VanDerWaalsContact O-C 3.29Å; L445-G450 WeakPolarHBondContact O-CA 3.45Å; L445-I451 HydrophobicContact CB-CG2 4.5Å; L445-I451 HydrophobicContact CD1-CG2 3.18Å; L445-I451 HydrophobicContact CG-CG2 4.41Å; L445-I451 PolarHBondContact O-N 3.46Å; L445-F452 HydrophobicContact CD1-CB 4.05Å; L445-F452 HydrophobicContact CG-CB 4.46Å; L445-F452 VanDerWaalsContact O-CB 3.25Å; L445-F452 WeakPolarHBondContact O-CB 3.43Å; L445-F452 PolarHBondContact O-N 3.14Å; L445-L635 HydrophobicContact CD2-CD2 4.44Å
446I90.6Very high91.8Very high18 Ų1836.6 Ų36.69%0.09219%0.189CC..SBendtrans-108.19.2-170.167.4169.9000114L399 A441 R442 M463L399-I446 HydrophobicContact CD2-CD1 4.13Å; L399-I446 HydrophobicContact CD2-CG2 4.01Å; A441-I446 WeakPolarHBondContact O-CG1 3.45Å; A441-I446 PolarHBondContact O-N 3.04Å; R442-I446 HydrophobicContact CG-CD1 4.1Å; R442-I446 HydrophobicContact CG-CG1 4.4Å; I446-M463 HydrophobicContact CB-CE 3.77Å; I446-M463 HydrophobicContact CB-SD 3.74Å; I446-M463 HydrophobicContact CG2-CE 4.42Å; I446-M463 HydrophobicContact CG2-SD 3.73Å; I446-M463 WeakPolarHBondContact O-CE 3.23Å
447S89.7Confident92Very high32 Ų3236.4 Ų36.422%0.22419%0.188CC..SBendtrans-68.4167.1169.462.10000110.9R442 Q443 N449 G450 T453R442-S447 VanDerWaalsContact O-CB 3.3Å; R442-S447 WeakPolarHBondContact O-CB 3.31Å; R442-S447 PolarHBondContact O-N 3.12Å; Q443-S447 WeakPolarHBondContact O-CB 3.28Å; Q443-S447 PolarHBondContact O-OG 2.67Å; S447-N449 PolarHBondContact O-N 3.35Å; S447-G450 PolarHBondContact O-N 3.24Å; S447-G450 WeakPolarHBondContact OG-CA 3.44Å; S447-G450 PolarHBondContact OG-N 2.93Å; S447-G450 VanDerWaalsContact OG-N 3.15Å; S447-T453 WeakPolarHBondContact O-CG2 3.23Å
448D87.1Confident92.2Very high116 Ų11635.9 Ų35.962%0.6219%0.185SC*.THydrogen-bonded Turntrans-57.2-28.1-178.4-58.6-14.1000112.7K184 T453K184-D448 IonicContact NZ-OD1 3.6Å; D448-T453 PolarHBondContact O-OG1 3.23Å
449N87.9Confident92.1Very high140 Ų14035.9 Ų35.975%0.74919%0.186SC*.THydrogen-bonded Turntrans-111.512.3175.6-61.7-49.7000113.5S447 K454S447-N449 PolarHBondContact O-N 3.35Å; N449-K454 WeakPolarHBondContact O-CE 3.39Å
450G90.4Very high92.1Very high2 Ų236.8 Ų36.82%0.02120%0.196CC..SBendtrans-69.1164.6-177.200000112.9L444 L445 S447 F452 T453L444-G450 CarbonylContact O-C 3.59Å; L444-G450 WeakPolarHBondContact O-CA 3.48Å; L445-G450 CarbonylContact O-C 3.6Å; L445-G450 VanDerWaalsContact O-C 3.29Å; L445-G450 WeakPolarHBondContact O-CA 3.45Å; S447-G450 PolarHBondContact O-N 3.24Å; S447-G450 WeakPolarHBondContact OG-CA 3.44Å; S447-G450 PolarHBondContact OG-N 2.93Å; S447-G450 VanDerWaalsContact OG-N 3.15Å; G450-F452 PolarHBondContact O-N 2.89Å; G450-T453 PolarHBondContact O-N 2.79Å; G450-T453 PolarHBondContact O-OG1 2.97Å
451I91.3Very high92.1Very high60 Ų6041.7 Ų41.731%0.30822%0.218SC..G310 helixtrans-60.9-31.6-173.7-165.777.2000112.6L444 L445 T453 K454 F455L444-I451 PolarHBondContact O-N 2.96Å; L445-I451 HydrophobicContact CB-CG2 4.5Å; L445-I451 HydrophobicContact CD1-CG2 3.18Å; L445-I451 HydrophobicContact CG-CG2 4.41Å; L445-I451 PolarHBondContact O-N 3.46Å; I451-T453 VanDerWaalsContact C-N 3.25Å; I451-T453 PolarHBondContact O-N 3.32Å; I451-K454 HydrophobicContact CD1-CD 4.26Å; I451-K454 WeakPolarHBondContact O-CB 3.26Å; I451-K454 PolarHBondContact O-N 3.02Å; I451-F455 HydrophobicContact CG1-CD1 4.3Å; I451-F455 HydrophobicContact CG1-CE1 4.32Å; I451-F455 WeakPolarHBondContact O-CD1 3.32Å; I451-F455 WeakPolarHBondContact O-CE1 3.47Å
452F93.7Very high92.3Very high8 Ų841.1 Ų41.14%0.03521%0.213CC..G310 helixtrans-61.5-33.2-180-164.4-98.2000112.6F390 E394 L395 L445 G450 K454 F455 A456 M463F390-F452 HydrophobicContact CE1-CE2 4.4Å; E394-F452 HydrophobicContact CB-CE2 4.03Å; E394-F452 HydrophobicContact CB-CZ 4.37Å; E394-F452 HydrophobicContact CG-CE2 4.35Å; L395-F452 HydrophobicContact CD1-CE1 4.25Å; L395-F452 HydrophobicContact CD1-CZ 4.3Å; L395-F452 HydrophobicContact CD2-CE1 3.95Å; L395-F452 HydrophobicContact CD2-CZ 3.85Å; L395-F452 HydrophobicContact CG-CE1 4.34Å; L395-F452 HydrophobicContact CG-CZ 4.03Å; L445-F452 HydrophobicContact CD1-CB 4.05Å; L445-F452 HydrophobicContact CG-CB 4.46Å; L445-F452 VanDerWaalsContact O-CB 3.25Å; L445-F452 WeakPolarHBondContact O-CB 3.43Å; L445-F452 PolarHBondContact O-N 3.14Å; G450-F452 PolarHBondContact O-N 2.89Å; F452-K454 PolarHBondContact O-N 2.96Å; F452-F455 HydrophobicContact CD2-CE1 4.49Å; F452-F455 AromaticContact CD2-CZ 3.93Å; F452-F455 HydrophobicContact CD2-CZ 3.93Å; F452-F455 HydrophobicContact CE2-CZ 4.45Å; F452-A456 HydrophobicContact CD1-CB 4.01Å; F452-A456 HydrophobicContact CD2-CB 4.23Å; F452-A456 HydrophobicContact CE1-CB 3.64Å; F452-A456 HydrophobicContact CE2-CB 3.89Å; F452-A456 HydrophobicContact CG-CB 4.29Å; F452-A456 HydrophobicContact CZ-CB 3.58Å; F452-A456 PolarHBondContact O-N 2.85Å; F452-M463 HydrophobicContact CD1-SD 3.77Å; F452-M463 HydrophobicContact CE1-SD 4.17Å; F452-M463 HydrophobicContact CG-SD 4.5Å
453T94.5Very high92.5Very high21 Ų2138.6 Ų38.613%0.12920%0.204CC..G310 helixtrans-72.4-10.2178.872.50000113.2N328 S447 D448 G450 I451N328-T453 PolarHBondContact ND2-O 2.61Å; S447-T453 WeakPolarHBondContact O-CG2 3.23Å; D448-T453 PolarHBondContact O-OG1 3.23Å; G450-T453 PolarHBondContact O-N 2.79Å; G450-T453 PolarHBondContact O-OG1 2.97Å; I451-T453 VanDerWaalsContact C-N 3.25Å; I451-T453 PolarHBondContact O-N 3.32Å
454K94.1Very high92.7Very high96 Ų9637.5 Ų37.542%0.41720%0.198SC..G310 helixtrans-95.7-13.9-177.1-54.4-172.2-171.9171.80114.1I330 N449 I451 F452I330-K454 VanDerWaalsContact CG2-O 3.24Å; I330-K454 WeakPolarHBondContact CG2-O 3.45Å; N449-K454 WeakPolarHBondContact O-CE 3.39Å; I451-K454 HydrophobicContact CD1-CD 4.26Å; I451-K454 WeakPolarHBondContact O-CB 3.26Å; I451-K454 PolarHBondContact O-N 3.02Å; F452-K454 PolarHBondContact O-N 2.96Å
455F95Very high93Very high5 Ų534.4 Ų34.42%0.02218%0.183CC..THydrogen-bonded Turntrans-137-18-175.974.8-99.1000116.1F390 I451 F452 A597 T598 I624 Q627 A631F390-F455 HydrophobicContact CE1-CE2 4.21Å; F390-F455 AromaticContact CZ-CE2 3.78Å; F390-F455 HydrophobicContact CZ-CE2 3.78Å; I451-F455 HydrophobicContact CG1-CD1 4.3Å; I451-F455 HydrophobicContact CG1-CE1 4.32Å; I451-F455 WeakPolarHBondContact O-CD1 3.32Å; I451-F455 WeakPolarHBondContact O-CE1 3.47Å; F452-F455 HydrophobicContact CD2-CE1 4.49Å; F452-F455 AromaticContact CD2-CZ 3.93Å; F452-F455 HydrophobicContact CD2-CZ 3.93Å; F452-F455 HydrophobicContact CE2-CZ 4.45Å; F455-A597 HydrophobicContact CD2-CB 3.56Å; F455-A597 HydrophobicContact CE2-CB 3.86Å; F455-T598 VanDerWaalsContact O-CB 3.27Å; F455-T598 WeakPolarHBondContact O-CB 3.41Å; F455-T598 VanDerWaalsContact O-CG2 3.28Å; F455-T598 WeakPolarHBondContact O-CG2 3.41Å; F455-I624 HydrophobicContact CB-CG2 4Å; F455-Q627 HydrophobicContact CB-CB 4.31Å; F455-A631 HydrophobicContact CE1-CB 3.85Å; F455-A631 HydrophobicContact CZ-CB 4.03Å
456A97.5Very high93.3Very high0 Ų032.9 Ų32.90%018%0.175CC..  trans-98.2144.2-174.500000113.5N328 F390 F452 S458 G459N328-A456 WeakPolarHBondContact CB-O 3.38Å; N328-A456 PolarHBondContact ND2-O 3.17Å; N328-A456 VanDerWaalsContact ND2-O 3.12Å; F390-A456 HydrophobicContact CE1-CB 4.22Å; F452-A456 HydrophobicContact CD1-CB 4.01Å; F452-A456 HydrophobicContact CD2-CB 4.23Å; F452-A456 HydrophobicContact CE1-CB 3.64Å; F452-A456 HydrophobicContact CE2-CB 3.89Å; F452-A456 HydrophobicContact CG-CB 4.29Å; F452-A456 HydrophobicContact CZ-CB 3.58Å; F452-A456 PolarHBondContact O-N 2.85Å; A456-S458 PolarHBondContact O-N 2.84Å; A456-G459 PolarHBondContact O-N 3.38Å; A456-G459 VanDerWaalsContact O-N 3.14Å
457S97.9Very high93.5Very high0 Ų032 Ų320%017%0.171CC..THydrogen-bonded Turntrans-57.7-32.6174.2-810000112.6A327 N328 Y336 N387 A597 T598 L599A327-S457 CarbonylContact C-O 3.46Å; A327-S457 WeakPolarHBondContact CA-O 3.25Å; N328-S457 WeakPolarHBondContact CB-O 3.18Å; N328-S457 PolarHBondContact N-O 2.59Å; Y336-S457 WeakPolarHBondContact O-CB 3.43Å; Y336-S457 PolarHBondContact O-OG 2.83Å; N387-S457 PolarHBondContact ND2-OG 2.55Å; S457-A597 PolarHBondContact N-O 2.94Å; S457-T598 WeakPolarHBondContact OG-CA 3.39Å; S457-T598 PolarHBondContact OG-OG1 2.85Å; S457-L599 PolarHBondContact OG-N 3.31Å
458S96.8Very high93.7Very high0 Ų035.5 Ų35.50%018%0.179CC..THydrogen-bonded Turntrans-95.711.3-179.2650000114.1N391 L395 A456 G462 M463 I466N391-S458 WeakPolarHBondContact OD1-CB 3.13Å; N391-S458 PolarHBondContact OD1-N 3.49Å; N391-S458 PolarHBondContact OD1-OG 2.89Å; L395-S458 WeakPolarHBondContact CD1-OG 3.19Å; A456-S458 PolarHBondContact O-N 2.84Å; S458-G462 CarbonylContact O-C 3.16Å; S458-M463 VanDerWaalsContact O-CA 3.29Å; S458-M463 WeakPolarHBondContact O-CA 3.34Å; S458-M463 VanDerWaalsContact O-CB 3.23Å; S458-M463 WeakPolarHBondContact O-CB 3.25Å; S458-M463 PolarHBondContact O-N 2.8Å; S458-I466 VanDerWaalsContact CB-CD1 3.48Å
459G94.1Very high94.2Very high2 Ų233.3 Ų33.32%0.02116%0.164CC..THydrogen-bonded Turntrans-55.4156.5175.500000113.8A456A456-G459 PolarHBondContact O-N 3.38Å; A456-G459 VanDerWaalsContact O-N 3.14Å
460G90.5Very high94.6Very high22 Ų2226.7 Ų26.723%0.22713%0.128CC..THydrogen-bonded Turntrans72.4-129.117900000113.3G462 M463 F464G460-G462 VanDerWaalsContact C-N 3.3Å; G460-G462 PolarHBondContact O-N 3.3Å; G460-M463 PolarHBondContact O-N 2.98Å; G460-F464 WeakPolarHBondContact O-CD2 3.24Å
461E91.9Very high94.8Very high112 Ų11227 Ų2752%0.52313%0.13SC..Hα-helixtrans-63.8-32.5-176.6-172.2-173.9165.700113.2K326 M463 F464 T465K326-E461 VanDerWaalsContact CD-OE2 3.25Å; K326-E461 WeakPolarHBondContact CD-OE2 3.19Å; K326-E461 IonicContact NZ-OE2 3.09Å; K326-E461 PolarHBondContact NZ-OE2 3.41Å; E461-M463 VanDerWaalsContact C-N 3.28Å; E461-M463 PolarHBondContact O-N 3.17Å; E461-F464 PolarHBondContact O-N 3.4Å; E461-T465 PolarHBondContact O-N 3.26Å; E461-T465 VanDerWaalsContact O-N 3.14Å; E461-T465 PolarHBondContact O-OG1 3.35Å; E461-T465 VanDerWaalsContact O-OG1 3.05Å
462G94.9Very high94.9Very high1 Ų128.9 Ų28.91%0.0115%0.148CC..Hα-helixtrans-59.2-41.2-179.900000112.2K326 S458 G460 F464 T465 I466K326-G462 WeakPolarHBondContact O-CA 3.45Å; S458-G462 CarbonylContact O-C 3.16Å; G460-G462 VanDerWaalsContact C-N 3.3Å; G460-G462 PolarHBondContact O-N 3.3Å; G462-F464 PolarHBondContact O-N 2.65Å; G462-T465 WeakPolarHBondContact O-CA 3.45Å; G462-T465 WeakPolarHBondContact O-CB 3.3Å; G462-T465 PolarHBondContact O-N 2.88Å; G462-T465 VanDerWaalsContact O-N 3.09Å; G462-I466 WeakPolarHBondContact O-CG1 3.4Å; G462-I466 PolarHBondContact O-N 2.92Å
463M95.1Very high94.9Very high1 Ų131.3 Ų31.31%0.00517%0.166CC..Hα-helixtrans-59.4-52.1-178.9168.4171.868.700111.1L395 I446 F452 S458 G460 E461 T465 I466 L467L395-M463 HydrophobicContact CD1-CB 4.03Å; L395-M463 HydrophobicContact CD1-CG 4.01Å; L395-M463 HydrophobicContact CD2-CB 4.45Å; L395-M463 HydrophobicContact CD2-CG 3.61Å; L395-M463 HydrophobicContact CD2-SD 4.01Å; L395-M463 HydrophobicContact CG-CG 4.47Å; I446-M463 HydrophobicContact CB-CE 3.77Å; I446-M463 HydrophobicContact CB-SD 3.74Å; I446-M463 HydrophobicContact CG2-CE 4.42Å; I446-M463 HydrophobicContact CG2-SD 3.73Å; I446-M463 WeakPolarHBondContact O-CE 3.23Å; F452-M463 HydrophobicContact CD1-SD 3.77Å; F452-M463 HydrophobicContact CE1-SD 4.17Å; F452-M463 HydrophobicContact CG-SD 4.5Å; S458-M463 VanDerWaalsContact O-CA 3.29Å; S458-M463 WeakPolarHBondContact O-CA 3.34Å; S458-M463 VanDerWaalsContact O-CB 3.23Å; S458-M463 WeakPolarHBondContact O-CB 3.25Å; S458-M463 PolarHBondContact O-N 2.8Å; G460-M463 PolarHBondContact O-N 2.98Å; E461-M463 VanDerWaalsContact C-N 3.28Å; E461-M463 PolarHBondContact O-N 3.17Å; M463-T465 PolarHBondContact O-N 3.23Å; M463-I466 PolarHBondContact O-N 3.39Å; M463-L467 HydrophobicContact CG-CD1 3.96Å; M463-L467 VanDerWaalsContact O-CG 3.31Å; M463-L467 WeakPolarHBondContact O-CG 3.14Å; M463-L467 PolarHBondContact O-N 3.48Å
464F92.8Very high95Very high35 Ų3530.4 Ų30.415%0.15416%0.161CC..Hα-helixtrans-64.6-29.3177.8-63.8-71.3000112K184 L187 G460 E461 G462 R468K184-F464 HydrophobicContact CD-CD1 3.95Å; K184-F464 HydrophobicContact CD-CE1 3.55Å; K184-F464 HydrophobicContact CD-CE2 4.47Å; K184-F464 HydrophobicContact CD-CZ 3.86Å; L187-F464 HydrophobicContact CD1-CD1 3.82Å; L187-F464 HydrophobicContact CD1-CE1 4.24Å; G460-F464 WeakPolarHBondContact O-CD2 3.24Å; E461-F464 PolarHBondContact O-N 3.4Å; G462-F464 PolarHBondContact O-N 2.65Å; F464-R468 WeakPolarHBondContact O-CB 3.4Å; F464-R468 WeakPolarHBondContact O-CD 3.28Å; F464-R468 WeakPolarHBondContact O-CG 3.42Å; F464-R468 PolarHBondContact O-N 3.16Å; F464-R468 VanDerWaalsContact O-N 3.13Å; F464-R468 PolarHBondContact O-NE 3.41Å
465T95.6Very high95.2Very high19 Ų1928.2 Ų28.212%0.11716%0.155CC..Hα-helixtrans-70-43.2174.9-58.10000112.1V325 E461 G462 M463 R468 K469V325-T465 HydrophobicContact CG2-CG2 4.09Å; E461-T465 PolarHBondContact O-N 3.26Å; E461-T465 VanDerWaalsContact O-N 3.14Å; E461-T465 PolarHBondContact O-OG1 3.35Å; E461-T465 VanDerWaalsContact O-OG1 3.05Å; G462-T465 WeakPolarHBondContact O-CA 3.45Å; G462-T465 WeakPolarHBondContact O-CB 3.3Å; G462-T465 PolarHBondContact O-N 2.88Å; G462-T465 VanDerWaalsContact O-N 3.09Å; M463-T465 PolarHBondContact O-N 3.23Å; T465-R468 PolarHBondContact O-N 3.35Å; T465-R468 PolarHBondContact OG1-NH2 2.79Å; T465-K469 HydrophobicContact CG2-CD 4.48Å; T465-K469 WeakPolarHBondContact O-CG 3.44Å; T465-K469 PolarHBondContact O-N 2.82Å; T465-K469 VanDerWaalsContact O-N 3.13Å
466I97.4Very high95.4Very high0 Ų029.3 Ų29.30%016%0.159CC..Hα-helixtrans-62.4-49.3175.6-67.1168.5000110.1L322 V325 M392 L395 S458 G462 M463 R468 K469 A470L322-I466 HydrophobicContact CD2-CD1 3.49Å; L322-I466 VanDerWaalsContact CD2-CD1 3.49Å; L322-I466 HydrophobicContact CD2-CG1 3.79Å; V325-I466 HydrophobicContact CG1-CD1 4.1Å; V325-I466 HydrophobicContact CG1-CG1 4Å; V325-I466 HydrophobicContact CG2-CG1 3.88Å; M392-I466 HydrophobicContact SD-CG2 4.1Å; L395-I466 HydrophobicContact CB-CG2 3.87Å; L395-I466 HydrophobicContact CD1-CB 3.97Å; L395-I466 HydrophobicContact CD1-CD1 3.7Å; L395-I466 HydrophobicContact CD1-CG1 4.43Å; L395-I466 HydrophobicContact CD1-CG2 4.06Å; S458-I466 VanDerWaalsContact CB-CD1 3.48Å; G462-I466 WeakPolarHBondContact O-CG1 3.4Å; G462-I466 PolarHBondContact O-N 2.92Å; M463-I466 PolarHBondContact O-N 3.39Å; I466-R468 VanDerWaalsContact C-N 3.33Å; I466-R468 PolarHBondContact O-N 2.89Å; I466-K469 PolarHBondContact O-N 2.89Å; I466-A470 VanDerWaalsContact O-CB 3.3Å; I466-A470 WeakPolarHBondContact O-CB 3.47Å; I466-A470 PolarHBondContact O-N 3.24Å
467L95.8Very high95.4Very high1 Ų133.9 Ų33.91%0.00518%0.176CC..Hα-helixtrans-58-42.9-179.8-70.1169.6000112.4L187 L395 L399 L400 M463 A470 L471L187-L467 HydrophobicContact CD1-CD1 4.28Å; L187-L467 HydrophobicContact CD2-CB 3.39Å; L187-L467 HydrophobicContact CD2-CD1 4.46Å; L395-L467 HydrophobicContact CB-CD2 4.2Å; L395-L467 HydrophobicContact CB-CG 4.49Å; L395-L467 WeakPolarHBondContact O-CD2 3.36Å; L399-L467 HydrophobicContact CD2-CD1 4.23Å; L399-L467 HydrophobicContact CD2-CD2 4.14Å; L399-L467 HydrophobicContact CG-CD2 4.44Å; L400-L467 HydrophobicContact CB-CD2 3.82Å; M463-L467 HydrophobicContact CG-CD1 3.96Å; M463-L467 VanDerWaalsContact O-CG 3.31Å; M463-L467 WeakPolarHBondContact O-CG 3.14Å; M463-L467 PolarHBondContact O-N 3.48Å; L467-A470 PolarHBondContact O-N 2.96Å; L467-L471 PolarHBondContact O-N 3.24Å
468R94.3Very high95.4Very high105 Ų10534.6 Ų34.640%0.39618%0.181SC..Hα-helixtrans-63.4-45.7176.8-72.1175.5-53.5138.7-8.7112.5D185 L187 F464 T465 I466 A470 L471 S472D185-R468 WeakPolarHBondContact O-CD 3.04Å; D185-R468 WeakPolarHBondContact O-CG 3.48Å; L187-R468 HydrophobicContact CD2-CG 3.92Å; L187-R468 HydrophobicContact CG-CG 4.45Å; F464-R468 WeakPolarHBondContact O-CB 3.4Å; F464-R468 WeakPolarHBondContact O-CD 3.28Å; F464-R468 WeakPolarHBondContact O-CG 3.42Å; F464-R468 PolarHBondContact O-N 3.16Å; F464-R468 VanDerWaalsContact O-N 3.13Å; F464-R468 PolarHBondContact O-NE 3.41Å; T465-R468 PolarHBondContact O-N 3.35Å; T465-R468 PolarHBondContact OG1-NH2 2.79Å; I466-R468 VanDerWaalsContact C-N 3.33Å; I466-R468 PolarHBondContact O-N 2.89Å; R468-A470 VanDerWaalsContact C-N 3.34Å; R468-L471 PolarHBondContact O-N 3.38Å; R468-S472 PolarHBondContact O-N 2.79Å; R468-S472 PolarHBondContact O-OG 3.13Å
469K96.1Very high95.5Very high69 Ų6935.2 Ų35.230%0.319%0.185SC..Hα-helixtrans-66.1-37177.3-71.7-179.3177.1-169.70112.1M321 D323 T465 I466 S472 S473M321-K469 WeakPolarHBondContact O-CD 3.39Å; M321-K469 PolarHBondContact O-NZ 2.88Å; D323-K469 PolarHBondContact O-NZ 2.92Å; T465-K469 HydrophobicContact CG2-CD 4.48Å; T465-K469 WeakPolarHBondContact O-CG 3.44Å; T465-K469 PolarHBondContact O-N 2.82Å; T465-K469 VanDerWaalsContact O-N 3.13Å; I466-K469 PolarHBondContact O-N 2.89Å; K469-S472 PolarHBondContact O-OG 3Å; K469-S472 VanDerWaalsContact O-OG 3.07Å; K469-S473 PolarHBondContact O-N 3.34Å; K469-S473 PolarHBondContact O-OG 2.98Å
470A96.6Very high95.8Very high1 Ų135.1 Ų35.11%0.00818%0.184CC..Hα-helixtrans-67-42.8176.700000111.3M321 L400 I466 L467 R468 S473 M474M321-A470 HydrophobicContact SD-CB 4.48Å; L400-A470 HydrophobicContact CD2-CB 3.51Å; I466-A470 VanDerWaalsContact O-CB 3.3Å; I466-A470 WeakPolarHBondContact O-CB 3.47Å; I466-A470 PolarHBondContact O-N 3.24Å; L467-A470 PolarHBondContact O-N 2.96Å; R468-A470 VanDerWaalsContact C-N 3.34Å; A470-S473 PolarHBondContact O-N 3.27Å; A470-S473 PolarHBondContact O-OG 3.15Å; A470-S473 VanDerWaalsContact O-OG 3.14Å; A470-M474 PolarHBondContact O-N 3.24Å
471L95.3Very high96.2Very high10 Ų1034.3 Ų34.35%0.05217%0.174CC..Hα-helixtrans-63.9-44.7175.5-176.765.5000111.7G186 P188 L400 L467 R468 S473 M474 L546G186-L471 WeakPolarHBondContact O-CD2 3.11Å; P188-L471 HydrophobicContact CG-CD1 4.03Å; P188-L471 HydrophobicContact CG-CD2 4.03Å; L400-L471 HydrophobicContact CD1-CD1 4.5Å; L400-L471 HydrophobicContact CD2-CB 4.08Å; L467-L471 PolarHBondContact O-N 3.24Å; R468-L471 PolarHBondContact O-N 3.38Å; L471-S473 PolarHBondContact O-N 3.36Å; L471-M474 HydrophobicContact CD1-CE 4.36Å; L471-M474 WeakPolarHBondContact O-CB 3.14Å; L471-M474 PolarHBondContact O-N 3.29Å; L471-M474 VanDerWaalsContact O-N 3.15Å; L471-L546 HydrophobicContact CD2-CD1 3.73Å; L471-L546 HydrophobicContact CD2-CG 4.11Å
472S93.7Very high96.5Very high98 Ų9831 Ų3169%0.68516%0.162SC*.Hα-helixtrans-67.8-23-177.270.10000114R468 K469R468-S472 PolarHBondContact O-N 2.79Å; R468-S472 PolarHBondContact O-OG 3.13Å; K469-S472 PolarHBondContact O-OG 3Å; K469-S472 VanDerWaalsContact O-OG 3.07Å
473S94.2Very high96.7Very high60 Ų6032.1 Ų32.142%0.4217%0.168SC..Hα-helixtrans-93.4-5.7175.858.60000113.7K469 A470 L471K469-S473 PolarHBondContact O-N 3.34Å; K469-S473 PolarHBondContact O-OG 2.98Å; A470-S473 PolarHBondContact O-N 3.27Å; A470-S473 PolarHBondContact O-OG 3.15Å; A470-S473 VanDerWaalsContact O-OG 3.14Å; L471-S473 PolarHBondContact O-N 3.36Å
474M95.9Very high96.9Very high2 Ų232.7 Ų32.71%0.0117%0.171CC..  trans-74.6137.4-175.5-166.5-179.7-5700112L400 R401 L405 A470 L471 L479 F545L400-M474 HydrophobicContact CD2-CE 3.59Å; L400-M474 HydrophobicContact CG-CE 3.76Å; R401-M474 HydrophobicContact CG-CE 3.74Å; L405-M474 HydrophobicContact CD1-CE 4.4Å; L405-M474 HydrophobicContact CD1-SD 3.74Å; A470-M474 PolarHBondContact O-N 3.24Å; L471-M474 HydrophobicContact CD1-CE 4.36Å; L471-M474 WeakPolarHBondContact O-CB 3.14Å; L471-M474 PolarHBondContact O-N 3.29Å; L471-M474 VanDerWaalsContact O-N 3.15Å; M474-L479 HydrophobicContact CG-CD2 4.37Å; M474-L479 HydrophobicContact CG-CG 4.45Å; M474-L479 HydrophobicContact SD-CD1 4.12Å; M474-L479 HydrophobicContact SD-CD2 3.93Å; M474-L479 HydrophobicContact SD-CG 4.31Å; M474-F545 HydrophobicContact SD-CE1 3.84Å
475T97.9Very high97.1Very high49 Ų4931.1 Ų31.130%0.30116%0.164SC..  trans-123.2155.5174.171.10000111.4R477 S478 L479 T551T475-R477 PolarHBondContact O-N 2.95Å; T475-S478 PolarHBondContact N-OG 3.46Å; T475-S478 VanDerWaalsContact N-OG 3.13Å; T475-S478 PolarHBondContact O-N 3.33Å; T475-S478 PolarHBondContact O-OG 3.2Å; T475-S478 WeakPolarHBondContact OG1-CB 3.31Å; T475-S478 PolarHBondContact OG1-N 3.45Å; T475-L479 PolarHBondContact O-N 3.07Å; T475-T551 CarbonylContact C-O 3.23Å; T475-T551 WeakPolarHBondContact CA-O 3.49Å
476Y98.7Very high97.3Very high29 Ų2932.5 Ų32.511%0.11418%0.175CC..SBendtrans-57.3-38.5173.6178.3-143.5000112S478 L479 C480 T551 I553 F566 M569Y476-S478 VanDerWaalsContact C-N 3.34Å; Y476-S478 PolarHBondContact O-N 3.38Å; Y476-L479 PolarHBondContact O-N 3.03Å; Y476-L479 VanDerWaalsContact O-N 3.13Å; Y476-C480 WeakPolarHBondContact CE2-SG 3.34Å; Y476-C480 PolarHBondContact O-N 3.19Å; Y476-C480 PolarHBondContact O-SG 3.4Å; Y476-C480 VanDerWaalsContact O-SG 3.33Å; Y476-T551 PolarHBondContact N-O 3.18Å; Y476-I553 HydrophobicContact CD2-CD1 3.66Å; Y476-I553 HydrophobicContact CG-CD1 3.91Å; Y476-F566 HydrophobicContact CD2-CD2 4.49Å; Y476-F566 AromaticContact CE2-CD2 3.72Å; Y476-F566 HydrophobicContact CE2-CD2 3.72Å; Y476-F566 HydrophobicContact CE2-CE2 4.28Å; Y476-F566 AromaticContact CZ-CD2 3.88Å; Y476-F566 VanDerWaalsContact OH-CA 3.25Å; Y476-F566 WeakPolarHBondContact OH-CA 3.39Å; Y476-F566 PolarHBondContact OH-N 2.79Å; Y476-M569 HydrophobicContact CD2-CE 4.29Å; Y476-M569 HydrophobicContact CE2-CB 4.31Å; Y476-M569 HydrophobicContact CE2-CE 3.97Å; Y476-M569 HydrophobicContact CE2-CG 4.23Å
477R98.5Very high97.3Very high95 Ų9536.8 Ų36.836%0.35820%0.198SC..G310 helixtrans-61.3-41.3174.3-70.7-174.86474.50.7111.8T475 L479 C480 D483 D484 D487T475-R477 PolarHBondContact O-N 2.95Å; R477-L479 PolarHBondContact O-N 3.44Å; R477-L479 VanDerWaalsContact O-N 3.07Å; R477-C480 PolarHBondContact O-N 3.37Å; R477-C480 VanDerWaalsContact O-O 3.06Å; R477-D483 HydrophobicContact CB-CB 3.87Å; R477-D483 HydrophobicContact CG-CB 4.13Å; R477-D483 IonicContact CZ-OD1 2.82Å; R477-D483 IonicContact NH1-OD1 3.44Å; R477-D483 PolarHBondContact NH1-OD1 3.5Å; R477-D483 IonicContact NH1-OD2 3.61Å; R477-D483 IonicContact NH2-OD1 3.01Å; R477-D483 PolarHBondContact NH2-OD1 3.49Å; R477-D484 PolarHBondContact O-N 3.23Å; R477-D487 WeakPolarHBondContact CB-OD2 3.1Å; R477-D487 IonicContact CZ-OD1 2.84Å; R477-D487 VanDerWaalsContact CZ-OD1 3.3Å; R477-D487 IonicContact CZ-OD2 2.71Å; R477-D487 IonicContact NE-OD1 3.68Å; R477-D487 PolarHBondContact NE-OD1 3.24Å; R477-D487 IonicContact NE-OD2 3.77Å; R477-D487 PolarHBondContact NE-OD2 2.96Å; R477-D487 IonicContact NH2-OD1 2.95Å; R477-D487 PolarHBondContact NH2-OD1 3Å; R477-D487 IonicContact NH2-OD2 3.75Å
478S98.4Very high97.5Very high15 Ų1537.7 Ų37.711%0.10520%0.201CC..G310 helixtrans-67.5-6.3176.5780000115.2R401 T475 Y476R401-S478 PolarHBondContact NH1-O 3.43Å; T475-S478 PolarHBondContact N-OG 3.46Å; T475-S478 VanDerWaalsContact N-OG 3.13Å; T475-S478 PolarHBondContact O-N 3.33Å; T475-S478 PolarHBondContact O-OG 3.2Å; T475-S478 WeakPolarHBondContact OG1-CB 3.31Å; T475-S478 PolarHBondContact OG1-N 3.45Å; Y476-S478 VanDerWaalsContact C-N 3.34Å; Y476-S478 PolarHBondContact O-N 3.38Å
479L98.7Very high97.7Very high14 Ų1433.7 Ų33.77%0.07319%0.193CC..G310 helixtrans-102.7-14.1171.9-59.4176.2000112.2L405 M474 T475 Y476 R477 F545 I553 M569L405-L479 HydrophobicContact CD1-CD1 3.81Å; L405-L479 HydrophobicContact CD1-CD2 3.78Å; L405-L479 HydrophobicContact CD1-CG 4.48Å; M474-L479 HydrophobicContact CG-CD2 4.37Å; M474-L479 HydrophobicContact CG-CG 4.45Å; M474-L479 HydrophobicContact SD-CD1 4.12Å; M474-L479 HydrophobicContact SD-CD2 3.93Å; M474-L479 HydrophobicContact SD-CG 4.31Å; T475-L479 PolarHBondContact O-N 3.07Å; Y476-L479 PolarHBondContact O-N 3.03Å; Y476-L479 VanDerWaalsContact O-N 3.13Å; R477-L479 PolarHBondContact O-N 3.44Å; R477-L479 VanDerWaalsContact O-N 3.07Å; L479-F545 HydrophobicContact CD1-CE1 4.26Å; L479-F545 HydrophobicContact CD1-CZ 3.85Å; L479-I553 HydrophobicContact CD1-CD1 4.29Å; L479-M569 HydrophobicContact CB-CG 3.75Å; L479-M569 HydrophobicContact CB-SD 3.91Å; L479-M569 HydrophobicContact CD1-SD 4.17Å; L479-M569 WeakPolarHBondContact O-CG 3.39Å
480C98.9Very high97.8Very high0 Ų030.4 Ų30.40%018%0.178CC..SBendtrans-97.7105176.7-61.70000109Y476 R477 P482 D483 D484 W506Y476-C480 WeakPolarHBondContact CE2-SG 3.34Å; Y476-C480 PolarHBondContact O-N 3.19Å; Y476-C480 PolarHBondContact O-SG 3.4Å; Y476-C480 VanDerWaalsContact O-SG 3.33Å; R477-C480 PolarHBondContact O-N 3.37Å; R477-C480 VanDerWaalsContact O-O 3.06Å; C480-P482 VanDerWaalsContact O-N 3.15Å; C480-D483 HydrophobicContact CB-CB 4.04Å; C480-D483 WeakPolarHBondContact CB-OD2 3.42Å; C480-D483 WeakPolarHBondContact O-CA 3.29Å; C480-D483 WeakPolarHBondContact O-CB 3.5Å; C480-D483 PolarHBondContact O-N 3.13Å; C480-D484 PolarHBondContact O-N 2.93Å; C480-W506 VanDerWaalsContact CA-CH2 3.48Å; C480-W506 HydrophobicContact CB-CH2 3.67Å; C480-W506 HydrophobicContact CB-CZ2 4.11Å; C480-W506 HydrophobicContact CB-CZ3 4.4Å
481L98.8Very high97.8Very high4 Ų436.3 Ų36.32%0.02121%0.206CC..Hα-helixtrans-49.5-46.2-171.1-179.872.7000114.4D483 D484 I485 Y498 G502 L503 W506 F572L481-D483 VanDerWaalsContact C-N 3.31Å; L481-D483 PolarHBondContact O-N 3.34Å; L481-D484 PolarHBondContact O-N 2.83Å; L481-I485 HydrophobicContact CD1-CD1 4.24Å; L481-I485 HydrophobicContact CD1-CG1 3.85Å; L481-I485 HydrophobicContact CG-CG1 4.16Å; L481-I485 WeakPolarHBondContact O-CB 3.2Å; L481-I485 VanDerWaalsContact O-CG1 3.24Å; L481-I485 WeakPolarHBondContact O-CG1 3.45Å; L481-I485 PolarHBondContact O-N 3.19Å; L481-Y498 HydrophobicContact CD1-CE1 3.75Å; L481-Y498 WeakPolarHBondContact CD1-OH 3.4Å; L481-G502 VanDerWaalsContact CD2-CA 3.47Å; L481-G502 WeakPolarHBondContact CD2-O 3.47Å; L481-L503 HydrophobicContact CD2-CD2 4.1Å; L481-L503 HydrophobicContact CD2-CG 4.28Å; L481-L503 HydrophobicContact CG-CD2 4.1Å; L481-W506 HydrophobicContact CB-CE3 4.02Å; L481-F572 HydrophobicContact CB-CE1 4.13Å; L481-F572 HydrophobicContact CB-CZ 4.16Å; L481-F572 HydrophobicContact CD2-CE1 4.43Å; L481-F572 HydrophobicContact CD2-CE2 4.17Å; L481-F572 HydrophobicContact CD2-CZ 3.7Å; L481-F572 HydrophobicContact CG-CZ 4.42Å
482P98.9Very high97.8Very high42 Ų4240.4 Ų40.427%0.27323%0.228SC..Hα-helixtrans-61.9-37.8178.1-2233000113.5C480 S486 L503 W506C480-P482 VanDerWaalsContact O-N 3.15Å; P482-S486 WeakPolarHBondContact O-CB 3.22Å; P482-S486 PolarHBondContact O-N 3.22Å; P482-L503 HydrophobicContact CB-CD2 3.98Å; P482-L503 HydrophobicContact CG-CD2 3.81Å; P482-W506 VanDerWaalsContact CD-CD2 3.49Å; P482-W506 VanDerWaalsContact CG-CD1 3.45Å; P482-W506 HydrophobicContact CG-CD2 3.97Å; P482-W506 HydrophobicContact CG-CG 3.77Å
483D98.9Very high97.9Very high25 Ų2535.8 Ų35.813%0.13420%0.196CC..Hα-helixtrans-70.5-43.6177.6-68-39.4000110.9R477 C480 L481 S486 D487 K565R477-D483 HydrophobicContact CB-CB 3.87Å; R477-D483 HydrophobicContact CG-CB 4.13Å; R477-D483 IonicContact CZ-OD1 2.82Å; R477-D483 IonicContact NH1-OD1 3.44Å; R477-D483 PolarHBondContact NH1-OD1 3.5Å; R477-D483 IonicContact NH1-OD2 3.61Å; R477-D483 IonicContact NH2-OD1 3.01Å; R477-D483 PolarHBondContact NH2-OD1 3.49Å; C480-D483 HydrophobicContact CB-CB 4.04Å; C480-D483 WeakPolarHBondContact CB-OD2 3.42Å; C480-D483 WeakPolarHBondContact O-CA 3.29Å; C480-D483 WeakPolarHBondContact O-CB 3.5Å; C480-D483 PolarHBondContact O-N 3.13Å; L481-D483 VanDerWaalsContact C-N 3.31Å; L481-D483 PolarHBondContact O-N 3.34Å; D483-S486 PolarHBondContact O-N 3.17Å; D483-D487 WeakPolarHBondContact O-CB 3.23Å; D483-D487 PolarHBondContact O-N 2.83Å; D483-K565 IonicContact OD1-NZ 2.71Å; D483-K565 VanDerWaalsContact OD2-CE 3.23Å; D483-K565 WeakPolarHBondContact OD2-CE 2.89Å; D483-K565 IonicContact OD2-NZ 2.69Å; D483-K565 PolarHBondContact OD2-NZ 3.43Å
484D98.8Very high97.9Very high13 Ų1334.5 Ų34.57%0.0719%0.186CC..Hα-helixtrans-62-44178.7179.874.6000112.2R477 C480 L481 S486 D487 R488R477-D484 PolarHBondContact O-N 3.23Å; C480-D484 PolarHBondContact O-N 2.93Å; L481-D484 PolarHBondContact O-N 2.83Å; D484-S486 VanDerWaalsContact C-N 3.33Å; D484-S486 PolarHBondContact O-N 3.32Å; D484-D487 PolarHBondContact O-N 2.96Å; D484-R488 WeakPolarHBondContact O-CB 3.24Å; D484-R488 WeakPolarHBondContact O-CG 3.5Å; D484-R488 PolarHBondContact O-N 2.89Å; D484-R488 IonicContact OD1-NE 2.7Å; D484-R488 IonicContact OD2-CZ 2.98Å; D484-R488 IonicContact OD2-NE 3.62Å; D484-R488 PolarHBondContact OD2-NE 3.3Å; D484-R488 IonicContact OD2-NH2 2.74Å; D484-R488 PolarHBondContact OD2-NH2 3.42Å
485I98.8Very high97.9Very high2 Ų238.2 Ų38.21%0.0121%0.205CC..Hα-helixtrans-62.6-40.8176.3-68.9-65.9000111.4L481 G489 L490 E491 F496 R499L481-I485 HydrophobicContact CD1-CD1 4.24Å; L481-I485 HydrophobicContact CD1-CG1 3.85Å; L481-I485 HydrophobicContact CG-CG1 4.16Å; L481-I485 WeakPolarHBondContact O-CB 3.2Å; L481-I485 VanDerWaalsContact O-CG1 3.24Å; L481-I485 WeakPolarHBondContact O-CG1 3.45Å; L481-I485 PolarHBondContact O-N 3.19Å; I485-G489 PolarHBondContact O-N 2.88Å; I485-L490 HydrophobicContact CG2-CB 4.28Å; I485-L490 PolarHBondContact O-N 3.09Å; I485-E491 HydrophobicContact CG2-CG 3.99Å; I485-F496 HydrophobicContact CD1-CE1 3.9Å; I485-F496 HydrophobicContact CD1-CZ 4.19Å; I485-R499 HydrophobicContact CD1-CB 3.85Å; I485-R499 HydrophobicContact CD1-CG 3.78Å; I485-R499 HydrophobicContact CG1-CB 4.49Å; I485-R499 HydrophobicContact CG1-CG 3.95Å; I485-R499 HydrophobicContact CG2-CG 3.85Å
486S98.7Very high97.9Very high49 Ų4935.9 Ų35.934%0.34319%0.191SC..Hα-helixtrans-69.1-46.7176.8-174.70000111.7P482 D483 D484 R488 G489P482-S486 WeakPolarHBondContact O-CB 3.22Å; P482-S486 PolarHBondContact O-N 3.22Å; D483-S486 PolarHBondContact O-N 3.17Å; D484-S486 VanDerWaalsContact C-N 3.33Å; D484-S486 PolarHBondContact O-N 3.32Å; S486-R488 VanDerWaalsContact C-N 3.25Å; S486-R488 PolarHBondContact O-N 2.87Å; S486-G489 WeakPolarHBondContact O-CA 3.38Å; S486-G489 PolarHBondContact O-N 2.98Å
487D98.6Very high97.9Very high89 Ų8935.1 Ų35.148%0.47619%0.189SC..Hα-helixtrans-61.8-33.5179.1-72.6-5000111.8R477 D483 D484 G489R477-D487 WeakPolarHBondContact CB-OD2 3.1Å; R477-D487 IonicContact CZ-OD1 2.84Å; R477-D487 VanDerWaalsContact CZ-OD1 3.3Å; R477-D487 IonicContact CZ-OD2 2.71Å; R477-D487 IonicContact NE-OD1 3.68Å; R477-D487 PolarHBondContact NE-OD1 3.24Å; R477-D487 IonicContact NE-OD2 3.77Å; R477-D487 PolarHBondContact NE-OD2 2.96Å; R477-D487 IonicContact NH2-OD1 2.95Å; R477-D487 PolarHBondContact NH2-OD1 3Å; R477-D487 IonicContact NH2-OD2 3.75Å; D483-D487 WeakPolarHBondContact O-CB 3.23Å; D483-D487 PolarHBondContact O-N 2.83Å; D484-D487 PolarHBondContact O-N 2.96Å; D487-G489 VanDerWaalsContact C-N 3.34Å
488R98.6Very high97.9Very high20 Ų2030.7 Ų30.78%0.07517%0.172CC..THydrogen-bonded Turntrans-83.2-5.9174.2-65.6-169.4-68.4148.2-13.3113.8P277 M278 I280 Q281 R282 D484 S486 L490P277-R488 PolarHBondContact O-NH1 3.23Å; M278-R488 PolarHBondContact O-NH1 2.93Å; I280-R488 WeakPolarHBondContact O-CD 3.28Å; I280-R488 PolarHBondContact O-NH1 3.37Å; Q281-R488 CarbonylContact C-O 3.41Å; Q281-R488 WeakPolarHBondContact CA-O 3.27Å; Q281-R488 HydrophobicContact CB-CB 4.04Å; Q281-R488 HydrophobicContact CB-CG 4.29Å; R282-R488 PolarHBondContact N-O 2.68Å; D484-R488 WeakPolarHBondContact O-CB 3.24Å; D484-R488 WeakPolarHBondContact O-CG 3.5Å; D484-R488 PolarHBondContact O-N 2.89Å; D484-R488 IonicContact OD1-NE 2.7Å; D484-R488 IonicContact OD2-CZ 2.98Å; D484-R488 IonicContact OD2-NE 3.62Å; D484-R488 PolarHBondContact OD2-NE 3.3Å; D484-R488 IonicContact OD2-NH2 2.74Å; D484-R488 PolarHBondContact OD2-NH2 3.42Å; S486-R488 VanDerWaalsContact C-N 3.25Å; S486-R488 PolarHBondContact O-N 2.87Å; R488-L490 HydrophobicContact CB-CD1 3.72Å; R488-L490 HydrophobicContact CB-CG 3.77Å
489G98.4Very high97.9Very high21 Ų2130.7 Ų30.722%0.21617%0.17CC..THydrogen-bonded Turntrans6741.4179.400000113.7R282 I485 S486 D487R282-G489 WeakPolarHBondContact CB-O 3.34Å; R282-G489 VanDerWaalsContact CZ-O 3.25Å; R282-G489 PolarHBondContact NE-O 2.7Å; R282-G489 PolarHBondContact NH2-O 3.04Å; R282-G489 VanDerWaalsContact NH2-O 3.12Å; I485-G489 PolarHBondContact O-N 2.88Å; S486-G489 WeakPolarHBondContact O-CA 3.38Å; S486-G489 PolarHBondContact O-N 2.98Å; D487-G489 VanDerWaalsContact C-N 3.34Å
490L98.3Very high97.9Very high0 Ų032.6 Ų32.60%018%0.18CC..  trans-112.89.7-170.7-55.6177.3000114.4I280 F315 I485 R488 D492 V493 F496 R499I280-L490 HydrophobicContact CG2-CD1 4.01Å; I280-L490 WeakPolarHBondContact O-CD1 3.37Å; F315-L490 HydrophobicContact CD1-CD2 3.91Å; F315-L490 HydrophobicContact CE1-CD2 3.8Å; I485-L490 HydrophobicContact CG2-CB 4.28Å; I485-L490 PolarHBondContact O-N 3.09Å; R488-L490 HydrophobicContact CB-CD1 3.72Å; R488-L490 HydrophobicContact CB-CG 3.77Å; L490-D492 VanDerWaalsContact C-N 3.33Å; L490-D492 PolarHBondContact O-N 3.08Å; L490-V493 HydrophobicContact CB-CG2 4.24Å; L490-V493 HydrophobicContact CD2-CG2 4.04Å; L490-V493 PolarHBondContact O-N 2.99Å; L490-F496 HydrophobicContact CB-CD1 4.26Å; L490-F496 HydrophobicContact CB-CE1 3.82Å; L490-F496 HydrophobicContact CD1-CE1 3.63Å; L490-F496 HydrophobicContact CD1-CZ 4.16Å; L490-F496 HydrophobicContact CG-CE1 4.29Å; L490-R499 WeakPolarHBondContact O-CD 3.25Å; L490-R499 PolarHBondContact O-NH1 3.5Å
491E97.8Very high97.9Very high125 Ų12532.7 Ų32.758%0.58418%0.18SC*.THydrogen-bonded Turntrans-61.9-35.6-172.5-63.8173.1124.300113.9I485 R499I485-E491 HydrophobicContact CG2-CG 3.99Å; E491-R499 PolarHBondContact O-NH1 3.27Å; E491-R499 VanDerWaalsContact O-NH1 3.15Å
492D94.9Very high97.9Very high96 Ų9632.5 Ų32.551%0.51318%0.179SC..THydrogen-bonded Turntrans-105.58.7-173.261.4-35.4000113.6R282 L490 P494R282-D492 IonicContact CZ-OD1 2.72Å; R282-D492 IonicContact CZ-OD2 3.75Å; R282-D492 IonicContact NH1-OD1 3.88Å; R282-D492 PolarHBondContact NH1-OD1 3.32Å; R282-D492 VanDerWaalsContact NH1-OD1 3.14Å; R282-D492 IonicContact NH1-OD2 3.3Å; R282-D492 PolarHBondContact NH1-OD2 3.39Å; R282-D492 VanDerWaalsContact NH2-CG 3.35Å; R282-D492 IonicContact NH2-OD1 3.05Å; R282-D492 PolarHBondContact NH2-OD1 2.94Å; R282-D492 IonicContact NH2-OD2 2.85Å; R282-D492 PolarHBondContact NH2-OD2 2.89Å; L490-D492 VanDerWaalsContact C-N 3.33Å; L490-D492 PolarHBondContact O-N 3.08Å; D492-P494 WeakPolarHBondContact O-CD 3.43Å
493V95.8Very high97.9Very high2 Ų232.7 Ų32.71%0.01218%0.178CC..  trans-69.7121.4178.2-179.60000110.1L272 F315 L490 F496 R499L272-V493 HydrophobicContact CD1-CG1 3.92Å; L272-V493 HydrophobicContact CD2-CG1 4.08Å; F315-V493 HydrophobicContact CE1-CG2 3.58Å; F315-V493 HydrophobicContact CZ-CG2 3.74Å; L490-V493 HydrophobicContact CB-CG2 4.24Å; L490-V493 HydrophobicContact CD2-CG2 4.04Å; L490-V493 PolarHBondContact O-N 2.99Å; V493-F496 HydrophobicContact CB-CB 4.46Å; V493-F496 HydrophobicContact CB-CD1 4.34Å; V493-F496 HydrophobicContact CG1-CB 4.34Å; V493-R499 VanDerWaalsContact N-NH1 3.11Å; V493-R499 PolarHBondContact O-NH1 3.41Å; V493-R499 PolarHBondContact O-NH2 3.04Å
494P93.9Very high97.9Very high33 Ų3335.7 Ų35.721%0.21419%0.19CC..THydrogen-bonded Turntrans-68.8155.6178.429.1-34.5000111.3K346 D349 D492 F496K346-P494 HydrophobicContact CD-CG 4.12Å; D349-P494 HydrophobicContact CB-CB 4.23Å; D349-P494 HydrophobicContact CB-CG 3.9Å; D349-P494 WeakPolarHBondContact OD1-CG 3.37Å; D492-P494 WeakPolarHBondContact O-CD 3.43Å; P494-F496 VanDerWaalsContact C-N 3.26Å; P494-F496 PolarHBondContact O-N 2.91Å
495N95.5Very high97.9Very high79 Ų7935 Ų3542%0.42219%0.186SC..THydrogen-bonded Turntrans55.835.1174.2-52.8-47.7000114.5N273 D349 F497N273-N495 PolarHBondContact ND2-O 3.19Å; D349-N495 PolarHBondContact O-ND2 3.38Å; N495-F497 HydrophobicContact CB-CE1 4.46Å; N495-F497 HydrophobicContact CB-CZ 4.13Å
496F98.2Very high98Very high0 Ų035.6 Ų35.60%019%0.188CC..  trans-104.480.5178-171-174000110.3L272 P277 I485 L490 V493 P494 Y498 R499 D500L272-F496 HydrophobicContact CB-CD2 3.68Å; L272-F496 HydrophobicContact CB-CE2 4.12Å; L272-F496 HydrophobicContact CB-CG 4.23Å; L272-F496 HydrophobicContact CD1-CB 4.39Å; L272-F496 HydrophobicContact CD2-CB 4.32Å; L272-F496 HydrophobicContact CD2-CD1 3.92Å; L272-F496 HydrophobicContact CD2-CD2 3.86Å; L272-F496 HydrophobicContact CD2-CE1 4.13Å; L272-F496 HydrophobicContact CD2-CE2 4.05Å; L272-F496 HydrophobicContact CD2-CG 3.78Å; L272-F496 HydrophobicContact CD2-CZ 4.18Å; L272-F496 HydrophobicContact CG-CD2 4.31Å; L272-F496 HydrophobicContact CG-CG 4.44Å; L272-F496 VanDerWaalsContact O-CD2 3.24Å; L272-F496 WeakPolarHBondContact O-CD2 3.27Å; L272-F496 WeakPolarHBondContact O-CE2 3.17Å; P277-F496 HydrophobicContact CB-CE2 4.15Å; I485-F496 HydrophobicContact CD1-CE1 3.9Å; I485-F496 HydrophobicContact CD1-CZ 4.19Å; L490-F496 HydrophobicContact CB-CD1 4.26Å; L490-F496 HydrophobicContact CB-CE1 3.82Å; L490-F496 HydrophobicContact CD1-CE1 3.63Å; L490-F496 HydrophobicContact CD1-CZ 4.16Å; L490-F496 HydrophobicContact CG-CE1 4.29Å; V493-F496 HydrophobicContact CB-CB 4.46Å; V493-F496 HydrophobicContact CB-CD1 4.34Å; V493-F496 HydrophobicContact CG1-CB 4.34Å; P494-F496 VanDerWaalsContact C-N 3.26Å; P494-F496 PolarHBondContact O-N 2.91Å; F496-Y498 AromaticContact CE2-CD1 3.65Å; F496-Y498 HydrophobicContact CE2-CD1 3.65Å; F496-Y498 HydrophobicContact CE2-CG 4.2Å; F496-Y498 AromaticContact CZ-CD1 3.85Å; F496-Y498 HydrophobicContact CZ-CD1 3.85Å; F496-Y498 PolarHBondContact O-N 3.13Å; F496-R499 HydrophobicContact CB-CB 4.32Å; F496-R499 HydrophobicContact CD1-CB 3.58Å; F496-R499 HydrophobicContact CD1-CG 4.39Å; F496-R499 HydrophobicContact CD2-CB 4.06Å; F496-R499 HydrophobicContact CE1-CB 3.83Å; F496-R499 HydrophobicContact CE2-CB 4.3Å; F496-R499 HydrophobicContact CG-CB 3.71Å; F496-R499 HydrophobicContact CZ-CB 4.2Å; F496-R499 WeakPolarHBondContact O-CB 3.42Å; F496-R499 PolarHBondContact O-N 3.11Å; F496-D500 VanDerWaalsContact O-CG 3.26Å; F496-D500 PolarHBondContact O-N 3.2Å
497F98.6Very high98Very high14 Ų1438 Ų386%0.06120%0.197CC..Hα-helixtrans-70.9-32.5-169.3-52.6-46.6000113.5Y269 N273 N495 R499 D500 D501 L683 Y687Y269-F497 HydrophobicContact CE2-CE2 4.43Å; N273-F497 HydrophobicContact CB-CD2 4.48Å; N273-F497 WeakPolarHBondContact OD1-CB 3.49Å; N273-F497 PolarHBondContact OD1-N 3.14Å; N495-F497 HydrophobicContact CB-CE1 4.46Å; N495-F497 HydrophobicContact CB-CZ 4.13Å; F497-R499 VanDerWaalsContact C-N 3.31Å; F497-R499 PolarHBondContact O-N 3.06Å; F497-D500 PolarHBondContact O-N 3.31Å; F497-D501 WeakPolarHBondContact O-CB 3.28Å; F497-D501 VanDerWaalsContact O-CG 3.29Å; F497-D501 PolarHBondContact O-N 3.21Å; F497-L683 HydrophobicContact CD2-CD1 4.03Å; F497-L683 HydrophobicContact CE1-CD1 4.29Å; F497-L683 HydrophobicContact CE1-CD2 4.42Å; F497-L683 HydrophobicContact CE2-CD1 3.47Å; F497-L683 VanDerWaalsContact CE2-CD1 3.47Å; F497-L683 HydrophobicContact CE2-CD2 4.12Å; F497-L683 HydrophobicContact CE2-CG 4.45Å; F497-L683 HydrophobicContact CZ-CD1 3.62Å; F497-L683 HydrophobicContact CZ-CD2 3.6Å; F497-L683 HydrophobicContact CZ-CG 4.28Å; F497-Y687 HydrophobicContact CB-CD1 3.68Å; F497-Y687 HydrophobicContact CB-CD2 4.48Å; F497-Y687 HydrophobicContact CB-CE1 4.44Å; F497-Y687 HydrophobicContact CB-CG 3.71Å
498Y98.8Very high98Very high1 Ų134.8 Ų34.80%0.00418%0.18CC..Hα-helixtrans-55.8-46.9170.1164.3-99.6000111.6L272 P277 M278 L481 F496 G502 Q577 A580 L690L272-Y498 WeakPolarHBondContact O-CB 3.45Å; P277-Y498 HydrophobicContact CB-CD1 3.78Å; P277-Y498 HydrophobicContact CB-CD2 4.42Å; P277-Y498 HydrophobicContact CB-CE1 4.36Å; P277-Y498 HydrophobicContact CB-CG 3.81Å; P277-Y498 HydrophobicContact CG-CD1 3.71Å; P277-Y498 HydrophobicContact CG-CD2 3.55Å; P277-Y498 HydrophobicContact CG-CE1 4.05Å; P277-Y498 HydrophobicContact CG-CE2 3.9Å; P277-Y498 HydrophobicContact CG-CG 3.44Å; P277-Y498 VanDerWaalsContact CG-CG 3.44Å; M278-Y498 HydrophobicContact SD-CE1 4.18Å; M278-Y498 PolarHBondContact SD-OH 2.82Å; L481-Y498 HydrophobicContact CD1-CE1 3.75Å; L481-Y498 WeakPolarHBondContact CD1-OH 3.4Å; F496-Y498 AromaticContact CE2-CD1 3.65Å; F496-Y498 HydrophobicContact CE2-CD1 3.65Å; F496-Y498 HydrophobicContact CE2-CG 4.2Å; F496-Y498 AromaticContact CZ-CD1 3.85Å; F496-Y498 HydrophobicContact CZ-CD1 3.85Å; F496-Y498 PolarHBondContact O-N 3.13Å; Y498-G502 WeakPolarHBondContact O-CA 3.46Å; Y498-G502 PolarHBondContact O-N 2.96Å; Y498-Q577 PolarHBondContact OH-OE1 2.88Å; Y498-A580 HydrophobicContact CD2-CB 3.87Å; Y498-A580 HydrophobicContact CE2-CB 3.76Å; Y498-L690 HydrophobicContact CD2-CD1 4Å; Y498-L690 WeakPolarHBondContact O-CD1 3.15Å
499R98.8Very high98Very high16 Ų1633.8 Ų33.86%0.0618%0.176CC..Hα-helixtrans-63.7-52.5175.5176.2-16067.9-146.5-5.8110.4I485 L490 E491 V493 F496 F497 D501 G502 L503I485-R499 HydrophobicContact CD1-CB 3.85Å; I485-R499 HydrophobicContact CD1-CG 3.78Å; I485-R499 HydrophobicContact CG1-CB 4.49Å; I485-R499 HydrophobicContact CG1-CG 3.95Å; I485-R499 HydrophobicContact CG2-CG 3.85Å; L490-R499 WeakPolarHBondContact O-CD 3.25Å; L490-R499 PolarHBondContact O-NH1 3.5Å; E491-R499 PolarHBondContact O-NH1 3.27Å; E491-R499 VanDerWaalsContact O-NH1 3.15Å; V493-R499 VanDerWaalsContact N-NH1 3.11Å; V493-R499 PolarHBondContact O-NH1 3.41Å; V493-R499 PolarHBondContact O-NH2 3.04Å; F496-R499 HydrophobicContact CB-CB 4.32Å; F496-R499 HydrophobicContact CD1-CB 3.58Å; F496-R499 HydrophobicContact CD1-CG 4.39Å; F496-R499 HydrophobicContact CD2-CB 4.06Å; F496-R499 HydrophobicContact CE1-CB 3.83Å; F496-R499 HydrophobicContact CE2-CB 4.3Å; F496-R499 HydrophobicContact CG-CB 3.71Å; F496-R499 HydrophobicContact CZ-CB 4.2Å; F496-R499 WeakPolarHBondContact O-CB 3.42Å; F496-R499 PolarHBondContact O-N 3.11Å; F497-R499 VanDerWaalsContact C-N 3.31Å; F497-R499 PolarHBondContact O-N 3.06Å; R499-D501 PolarHBondContact O-N 3.25Å; R499-G502 PolarHBondContact O-N 3.17Å; R499-L503 HydrophobicContact CG-CD1 3.61Å; R499-L503 HydrophobicContact CG-CG 4.09Å; R499-L503 WeakPolarHBondContact O-CB 3.24Å; R499-L503 VanDerWaalsContact O-CG 3.24Å; R499-L503 WeakPolarHBondContact O-CG 3.31Å; R499-L503 PolarHBondContact O-N 3.23Å
500D98.9Very high98Very high53 Ų5335.7 Ų35.728%0.28318%0.179SC..Hα-helixtrans-62.7-45.8-170.6-65.9-18000112.3F496 F497 K504F496-D500 VanDerWaalsContact O-CG 3.26Å; F496-D500 PolarHBondContact O-N 3.2Å; F497-D500 PolarHBondContact O-N 3.31Å; D500-K504 WeakPolarHBondContact O-CG 3.34Å; D500-K504 PolarHBondContact O-N 2.79Å
501D98.9Very high98.1Very high3 Ų338.5 Ų38.52%0.01620%0.199CC..Hα-helixtrans-75.2-39.3179.8-57.9-16.2000110.3F497 R499 K504 L505 I676 R679 Y687 L690F497-D501 WeakPolarHBondContact O-CB 3.28Å; F497-D501 VanDerWaalsContact O-CG 3.29Å; F497-D501 PolarHBondContact O-N 3.21Å; R499-D501 PolarHBondContact O-N 3.25Å; D501-K504 PolarHBondContact O-N 3.36Å; D501-L505 PolarHBondContact O-N 2.86Å; D501-I676 HydrophobicContact CB-CD1 3.98Å; D501-R679 IonicContact OD1-CZ 3.07Å; D501-R679 IonicContact OD1-NH1 3.92Å; D501-R679 PolarHBondContact OD1-NH1 2.78Å; D501-R679 IonicContact OD1-NH2 2.65Å; D501-R679 PolarHBondContact OD1-NH2 2.85Å; D501-R679 IonicContact OD2-CZ 3.43Å; D501-R679 IonicContact OD2-NH1 3.51Å; D501-R679 IonicContact OD2-NH2 2.96Å; D501-R679 PolarHBondContact OD2-NH2 2.94Å; D501-Y687 WeakPolarHBondContact OD2-CD1 3.31Å; D501-L690 HydrophobicContact CB-CB 3.87Å; D501-L690 HydrophobicContact CB-CD1 4.16Å
502G98.9Very high98.1Very high0 Ų033 Ų330%017%0.173CC..Hα-helixtrans-63.4-42.3178.300000113.2L481 Y498 R499 L505 W506 F572L481-G502 VanDerWaalsContact CD2-CA 3.47Å; L481-G502 WeakPolarHBondContact CD2-O 3.47Å; Y498-G502 WeakPolarHBondContact O-CA 3.46Å; Y498-G502 PolarHBondContact O-N 2.96Å; R499-G502 PolarHBondContact O-N 3.17Å; G502-L505 PolarHBondContact O-N 3.31Å; G502-W506 WeakPolarHBondContact O-CB 3.09Å; G502-W506 PolarHBondContact O-N 3.41Å; G502-F572 WeakPolarHBondContact O-CE2 3.46Å
503L98.9Very high98.3Very high45 Ų4528.4 Ų28.424%0.23615%0.148CC..Hα-helixtrans-65.9-39.7178-72.7177.4000111.2L481 P482 R499 W506 D507L481-L503 HydrophobicContact CD2-CD2 4.1Å; L481-L503 HydrophobicContact CD2-CG 4.28Å; L481-L503 HydrophobicContact CG-CD2 4.1Å; P482-L503 HydrophobicContact CB-CD2 3.98Å; P482-L503 HydrophobicContact CG-CD2 3.81Å; R499-L503 HydrophobicContact CG-CD1 3.61Å; R499-L503 HydrophobicContact CG-CG 4.09Å; R499-L503 WeakPolarHBondContact O-CB 3.24Å; R499-L503 VanDerWaalsContact O-CG 3.24Å; R499-L503 WeakPolarHBondContact O-CG 3.31Å; R499-L503 PolarHBondContact O-N 3.23Å; L503-W506 WeakPolarHBondContact O-CB 3.42Å; L503-W506 PolarHBondContact O-N 3.46Å; L503-D507 PolarHBondContact O-N 2.83Å
504K98.9Very high98.4Very high88 Ų8832.6 Ų32.638%0.38317%0.166SC..Hα-helixtrans-63.5-44.3174-69.4176.5-175.8-177.10111.7D500 D501 D507 I508 L672D500-K504 WeakPolarHBondContact O-CG 3.34Å; D500-K504 PolarHBondContact O-N 2.79Å; D501-K504 PolarHBondContact O-N 3.36Å; K504-D507 PolarHBondContact O-N 3.01Å; K504-I508 WeakPolarHBondContact O-CD1 3.16Å; K504-I508 VanDerWaalsContact O-CG1 3.24Å; K504-I508 WeakPolarHBondContact O-CG1 3.46Å; K504-I508 PolarHBondContact O-N 3.3Å; K504-L672 HydrophobicContact CB-CD1 3.78Å; K504-L672 HydrophobicContact CB-CD2 4.16Å; K504-L672 HydrophobicContact CD-CD1 3.44Å; K504-L672 VanDerWaalsContact CD-CD1 3.44Å; K504-L672 HydrophobicContact CG-CD1 4.28Å
505L98.9Very high98.7Very high0 Ų032.3 Ų32.30%017%0.17CC..Hα-helixtrans-60.5-45173.9-89.1173.5000111.9D501 G502 D507 I508 I509 F572 A576 L645 L669 L672 L690 P692 V695D501-L505 PolarHBondContact O-N 2.86Å; G502-L505 PolarHBondContact O-N 3.31Å; L505-D507 VanDerWaalsContact C-N 3.33Å; L505-D507 PolarHBondContact O-N 2.91Å; L505-I508 PolarHBondContact O-N 2.94Å; L505-I509 WeakPolarHBondContact O-CB 3.33Å; L505-I509 VanDerWaalsContact O-CG1 3.28Å; L505-I509 WeakPolarHBondContact O-CG1 3.42Å; L505-I509 PolarHBondContact O-N 3.42Å; L505-F572 HydrophobicContact CB-CE2 4.26Å; L505-A576 HydrophobicContact CD1-CB 3.94Å; L505-L645 HydrophobicContact CD2-CD2 4.02Å; L505-L669 HydrophobicContact CD2-CD2 3.57Å; L505-L672 HydrophobicContact CD2-CD2 3.83Å; L505-L672 HydrophobicContact CG-CD2 3.63Å; L505-L690 HydrophobicContact CD1-CB 3.96Å; L505-L690 HydrophobicContact CD1-CD2 3.84Å; L505-L690 HydrophobicContact CD1-CG 4.41Å; L505-L690 WeakPolarHBondContact CD1-O 3.33Å; L505-P692 HydrophobicContact CD2-CG 4.14Å; L505-V695 HydrophobicContact CD1-CG2 4.5Å
506W98.9Very high98.8Very high13 Ų1328.6 Ų28.65%0.04915%0.15CC..Hα-helixtrans-56.4-47.7176.4179.2-81.6000111.2C480 L481 P482 G502 L503 I508 I509 H510 T568 M569 F572C480-W506 VanDerWaalsContact CA-CH2 3.48Å; C480-W506 HydrophobicContact CB-CH2 3.67Å; C480-W506 HydrophobicContact CB-CZ2 4.11Å; C480-W506 HydrophobicContact CB-CZ3 4.4Å; L481-W506 HydrophobicContact CB-CE3 4.02Å; P482-W506 VanDerWaalsContact CD-CD2 3.49Å; P482-W506 VanDerWaalsContact CG-CD1 3.45Å; P482-W506 HydrophobicContact CG-CD2 3.97Å; P482-W506 HydrophobicContact CG-CG 3.77Å; G502-W506 WeakPolarHBondContact O-CB 3.09Å; G502-W506 PolarHBondContact O-N 3.41Å; L503-W506 WeakPolarHBondContact O-CB 3.42Å; L503-W506 PolarHBondContact O-N 3.46Å; W506-I508 PolarHBondContact O-N 2.88Å; W506-I509 PolarHBondContact O-N 3.2Å; W506-H510 WeakPolarHBondContact O-CB 3.43Å; W506-H510 PolarHBondContact O-N 3.02Å; W506-T568 HydrophobicContact CD2-CG2 3.85Å; W506-T568 HydrophobicContact CE3-CG2 4.2Å; W506-T568 HydrophobicContact CG-CG2 4.4Å; W506-T568 HydrophobicContact CH2-CG2 4.09Å; W506-T568 HydrophobicContact CZ2-CG2 3.75Å; W506-T568 HydrophobicContact CZ3-CG2 4.31Å; W506-M569 HydrophobicContact CH2-CB 3.87Å; W506-M569 HydrophobicContact CZ3-CB 4.33Å; W506-F572 HydrophobicContact CB-CD2 4.23Å; W506-F572 HydrophobicContact CB-CE2 4.25Å; W506-F572 HydrophobicContact CE3-CB 3.91Å; W506-F572 HydrophobicContact CE3-CD1 4.15Å; W506-F572 AromaticContact CE3-CD2 3.82Å; W506-F572 HydrophobicContact CE3-CD2 3.82Å; W506-F572 HydrophobicContact CE3-CE2 4.44Å; W506-F572 AromaticContact CE3-CG 3.68Å; W506-F572 HydrophobicContact CE3-CG 3.68Å; W506-F572 HydrophobicContact CZ3-CB 3.97Å; W506-F572 HydrophobicContact CZ3-CD1 4.34Å; W506-F572 HydrophobicContact CZ3-CG 4.07Å
507D98.9Very high98.8Very high100 Ų10028.6 Ų28.654%0.53515%0.15SC..Hα-helixtrans-64.5-39.8179.8-74.5-18.9000112.6L503 K504 L505 H510 S511L503-D507 PolarHBondContact O-N 2.83Å; K504-D507 PolarHBondContact O-N 3.01Å; L505-D507 VanDerWaalsContact C-N 3.33Å; L505-D507 PolarHBondContact O-N 2.91Å; D507-H510 PolarHBondContact O-N 3.45Å; D507-S511 VanDerWaalsContact O-CB 3.31Å; D507-S511 WeakPolarHBondContact O-CB 3.5Å; D507-S511 PolarHBondContact O-N 3.03Å
508I98.9Very high98.8Very high21 Ų2132.4 Ų32.411%0.10817%0.168CC..Hα-helixtrans-65.1-47.6176.4-67.7165000110.5K504 L505 W506 S511 F512 F665 Q668 L669 L672K504-I508 WeakPolarHBondContact O-CD1 3.16Å; K504-I508 VanDerWaalsContact O-CG1 3.24Å; K504-I508 WeakPolarHBondContact O-CG1 3.46Å; K504-I508 PolarHBondContact O-N 3.3Å; L505-I508 PolarHBondContact O-N 2.94Å; W506-I508 PolarHBondContact O-N 2.88Å; I508-S511 PolarHBondContact O-N 3.2Å; I508-F512 PolarHBondContact O-N 2.97Å; I508-F665 HydrophobicContact CG2-CD2 3.55Å; I508-F665 HydrophobicContact CG2-CE2 3.68Å; I508-Q668 HydrophobicContact CD1-CB 4.23Å; I508-Q668 HydrophobicContact CG1-CB 4.13Å; I508-Q668 HydrophobicContact CG2-CB 3.79Å; I508-L669 HydrophobicContact CG2-CD2 4.04Å; I508-L669 HydrophobicContact CG2-CG 4.26Å; I508-L672 HydrophobicContact CD1-CB 4.07Å; I508-L672 HydrophobicContact CD1-CD2 4Å
509I98.9Very high98.7Very high0 Ų037 Ų370%019%0.186CC..Hα-helixtrans-61.7-46175.8-66.9163.6000110.1L505 W506 S511 F512 V513 T568 I571 F572 L645 F665L505-I509 WeakPolarHBondContact O-CB 3.33Å; L505-I509 VanDerWaalsContact O-CG1 3.28Å; L505-I509 WeakPolarHBondContact O-CG1 3.42Å; L505-I509 PolarHBondContact O-N 3.42Å; W506-I509 PolarHBondContact O-N 3.2Å; I509-S511 VanDerWaalsContact C-N 3.33Å; I509-S511 PolarHBondContact O-N 3.09Å; I509-F512 WeakPolarHBondContact O-CB 3.49Å; I509-F512 PolarHBondContact O-N 3.42Å; I509-V513 HydrophobicContact CG2-CG2 4.15Å; I509-V513 WeakPolarHBondContact O-CB 3.3Å; I509-V513 VanDerWaalsContact O-CG2 3.3Å; I509-V513 WeakPolarHBondContact O-CG2 3.16Å; I509-V513 PolarHBondContact O-N 2.97Å; I509-T568 HydrophobicContact CB-CG2 4.41Å; I509-T568 HydrophobicContact CG2-CG2 3.97Å; I509-I571 HydrophobicContact CD1-CG2 4.3Å; I509-I571 HydrophobicContact CG1-CG2 4.41Å; I509-I571 HydrophobicContact CG2-CB 3.88Å; I509-I571 HydrophobicContact CG2-CG2 3.68Å; I509-F572 HydrophobicContact CD1-CB 4.37Å; I509-F572 HydrophobicContact CD1-CD2 3.99Å; I509-L645 HydrophobicContact CD1-CD2 4.17Å; I509-L645 HydrophobicContact CG1-CD2 4.42Å; I509-F665 HydrophobicContact CG1-CE2 3.89Å; I509-F665 HydrophobicContact CG1-CZ 4.06Å
510H98.9Very high98.7Very high60 Ų6036.9 Ų36.928%0.27819%0.185SC..Hα-helixtrans-59.7-43.9178.8178.5-92.5000111.6W506 D507 V513 K514 T568W506-H510 WeakPolarHBondContact O-CB 3.43Å; W506-H510 PolarHBondContact O-N 3.02Å; D507-H510 PolarHBondContact O-N 3.45Å; H510-V513 PolarHBondContact O-N 3.49Å; H510-K514 WeakPolarHBondContact O-CB 3.49Å; H510-K514 PolarHBondContact O-N 2.99Å; H510-T568 WeakPolarHBondContact CA-OG1 3.24Å; H510-T568 HydrophobicContact CB-CG2 3.79Å
511S98.9Very high98.6Very high60 Ų6034.5 Ų34.542%0.4217%0.172SC..Hα-helixtrans-60.5-45.5175.5-176.60000111.7D507 I508 I509 K514 G515D507-S511 VanDerWaalsContact O-CB 3.31Å; D507-S511 WeakPolarHBondContact O-CB 3.5Å; D507-S511 PolarHBondContact O-N 3.03Å; I508-S511 PolarHBondContact O-N 3.2Å; I509-S511 VanDerWaalsContact C-N 3.33Å; I509-S511 PolarHBondContact O-N 3.09Å; S511-K514 PolarHBondContact O-N 3.5Å; S511-G515 PolarHBondContact O-N 3.02Å
512F98.9Very high98.5Very high8 Ų840.7 Ų40.74%0.03520%0.201CC..Hα-helixtrans-61.7-49.2177168.7-121.5000112.6L426 I508 I509 G515 T516 Y648 N661 I662 F665L426-F512 HydrophobicContact CD1-CD1 4.4Å; L426-F512 HydrophobicContact CD1-CE1 3.48Å; L426-F512 VanDerWaalsContact CD1-CE1 3.48Å; L426-F512 HydrophobicContact CD1-CZ 3.61Å; I508-F512 PolarHBondContact O-N 2.97Å; I509-F512 WeakPolarHBondContact O-CB 3.49Å; I509-F512 PolarHBondContact O-N 3.42Å; F512-G515 PolarHBondContact O-N 2.91Å; F512-T516 WeakPolarHBondContact O-CB 3.19Å; F512-T516 PolarHBondContact O-N 3.18Å; F512-T516 PolarHBondContact O-OG1 3.14Å; F512-Y648 HydrophobicContact CE1-CE2 4.29Å; F512-Y648 HydrophobicContact CZ-CE2 4.05Å; F512-N661 HydrophobicContact CD2-CB 4.06Å; F512-N661 HydrophobicContact CE2-CB 4.2Å; F512-I662 HydrophobicContact CE2-CB 4.5Å; F512-I662 HydrophobicContact CE2-CG1 3.73Å; F512-I662 HydrophobicContact CZ-CG1 3.95Å; F512-F665 HydrophobicContact CB-CB 4Å; F512-F665 HydrophobicContact CB-CD2 3.54Å; F512-F665 HydrophobicContact CB-CE2 4.15Å; F512-F665 HydrophobicContact CB-CG 3.85Å; F512-F665 HydrophobicContact CD1-CD1 4.07Å; F512-F665 HydrophobicContact CD1-CD2 4.19Å; F512-F665 HydrophobicContact CD1-CE1 4.21Å; F512-F665 HydrophobicContact CD1-CE2 4.33Å; F512-F665 HydrophobicContact CD1-CG 4.05Å; F512-F665 HydrophobicContact CD1-CZ 4.34Å; F512-F665 HydrophobicContact CD2-CB 3.79Å; F512-F665 HydrophobicContact CD2-CG 4.11Å; F512-F665 HydrophobicContact CE1-CD1 4.33Å; F512-F665 HydrophobicContact CE1-CE1 4.47Å; F512-F665 HydrophobicContact CE2-CB 4.48Å; F512-F665 HydrophobicContact CG-CB 3.88Å; F512-F665 HydrophobicContact CG-CD1 4.16Å; F512-F665 AromaticContact CG-CD2 3.89Å; F512-F665 HydrophobicContact CG-CD2 3.89Å; F512-F665 HydrophobicContact CG-CE2 4.44Å; F512-F665 AromaticContact CG-CG 3.73Å; F512-F665 HydrophobicContact CG-CG 3.73Å
513V98.9Very high98.5Very high0 Ų043 Ų430%022%0.217CC..Hα-helixtrans-61.8-46.6177.6171.90000110.4L426 I509 H510 T516 L517 V564 V567 I571L426-V513 HydrophobicContact CD2-CG1 4.48Å; I509-V513 HydrophobicContact CG2-CG2 4.15Å; I509-V513 WeakPolarHBondContact O-CB 3.3Å; I509-V513 VanDerWaalsContact O-CG2 3.3Å; I509-V513 WeakPolarHBondContact O-CG2 3.16Å; I509-V513 PolarHBondContact O-N 2.97Å; H510-V513 PolarHBondContact O-N 3.49Å; V513-T516 PolarHBondContact O-N 2.81Å; V513-L517 HydrophobicContact CG1-CD1 3.69Å; V513-L517 HydrophobicContact CG1-CG 4.21Å; V513-L517 WeakPolarHBondContact O-CB 3.41Å; V513-L517 WeakPolarHBondContact O-CG 3.44Å; V513-L517 PolarHBondContact O-N 3.42Å; V513-V564 HydrophobicContact CG1-CB 4.41Å; V513-V564 HydrophobicContact CG1-CG1 4.16Å; V513-V564 HydrophobicContact CG1-CG2 4.48Å; V513-V567 HydrophobicContact CG1-CB 3.77Å; V513-V567 HydrophobicContact CG1-CG1 3.63Å; V513-V567 HydrophobicContact CG2-CG1 4.02Å; V513-I571 HydrophobicContact CG2-CD1 3.63Å
514K98.8Very high98.4Very high90 Ų9044.3 Ų44.339%0.39123%0.225SC..Hα-helixtrans-59-53.3178.3-177.8178.4175.9-175.80111.3H510 S511 T516 L517 Q518 V564H510-K514 WeakPolarHBondContact O-CB 3.49Å; H510-K514 PolarHBondContact O-N 2.99Å; S511-K514 PolarHBondContact O-N 3.5Å; K514-T516 PolarHBondContact O-N 3.33Å; K514-L517 PolarHBondContact O-N 3.21Å; K514-Q518 HydrophobicContact CG-CG 4.08Å; K514-Q518 VanDerWaalsContact CG-OE1 3.28Å; K514-Q518 WeakPolarHBondContact O-CB 2.96Å; K514-Q518 VanDerWaalsContact O-CG 3.22Å; K514-Q518 WeakPolarHBondContact O-CG 3.42Å; K514-Q518 PolarHBondContact O-N 3.42Å; K514-V564 HydrophobicContact CB-CG1 3.79Å; K514-V564 HydrophobicContact CB-CG2 4.46Å; K514-V564 HydrophobicContact CG-CG1 4.41Å
515G98.3Very high98.4Very high27 Ų2745.5 Ų45.528%0.27823%0.232SC..Hα-helixtrans-59.7-35.6-179.500000112.6S511 F512 N661S511-G515 PolarHBondContact O-N 3.02Å; F512-G515 PolarHBondContact O-N 2.91Å; G515-N661 PolarHBondContact O-ND2 2.93Å; G515-N661 VanDerWaalsContact O-ND2 3.07Å
516T98.4Very high98.3Very high1 Ų147.3 Ų47.31%0.00624%0.24CC..Hα-helixtrans-77.5-49.3-179.9-56.40000111.9L426 F512 V513 K514 Y519 Y520 F653 P658 N661L426-T516 HydrophobicContact CD1-CG2 4.47Å; F512-T516 WeakPolarHBondContact O-CB 3.19Å; F512-T516 PolarHBondContact O-N 3.18Å; F512-T516 PolarHBondContact O-OG1 3.14Å; V513-T516 PolarHBondContact O-N 2.81Å; K514-T516 PolarHBondContact O-N 3.33Å; T516-Y519 WeakPolarHBondContact O-CB 3.18Å; T516-Y519 PolarHBondContact O-N 3.27Å; T516-Y520 HydrophobicContact CG2-CE2 4.28Å; T516-Y520 WeakPolarHBondContact O-CD2 3.41Å; T516-F653 HydrophobicContact CG2-CE2 4.37Å; T516-F653 HydrophobicContact CG2-CZ 4Å; T516-P658 HydrophobicContact CG2-CB 4.41Å; T516-N661 PolarHBondContact N-ND2 3.23Å; T516-N661 PolarHBondContact OG1-ND2 3.34Å
517L98.5Very high98.3Very high0 Ų046.7 Ų46.70%024%0.238CC..Hα-helixtrans-74.5-32.3-176.8-66-176.2000113L426 V513 K514 Y519 Y520 Y521 L563 V564 V567L426-L517 HydrophobicContact CD2-CD1 4.3Å; L426-L517 HydrophobicContact CD2-CD2 3.84Å; L426-L517 HydrophobicContact CD2-CG 3.95Å; V513-L517 HydrophobicContact CG1-CD1 3.69Å; V513-L517 HydrophobicContact CG1-CG 4.21Å; V513-L517 WeakPolarHBondContact O-CB 3.41Å; V513-L517 WeakPolarHBondContact O-CG 3.44Å; V513-L517 PolarHBondContact O-N 3.42Å; K514-L517 PolarHBondContact O-N 3.21Å; L517-Y519 PolarHBondContact O-N 2.85Å; L517-Y520 PolarHBondContact O-N 3.41Å; L517-Y520 VanDerWaalsContact O-N 3.16Å; L517-Y521 HydrophobicContact CB-CD2 4.4Å; L517-Y521 HydrophobicContact CD2-CE2 4.35Å; L517-Y521 PolarHBondContact O-N 3.47Å; L517-L563 HydrophobicContact CD1-CD2 4.11Å; L517-L563 HydrophobicContact CD1-CG 3.91Å; L517-V564 HydrophobicContact CB-CG2 4.23Å; L517-V564 HydrophobicContact CD1-CG2 4.36Å; L517-V567 HydrophobicContact CD1-CB 4.18Å; L517-V567 HydrophobicContact CD1-CG1 4.29Å; L517-V567 HydrophobicContact CD1-CG2 4.04Å
518Q97.6Very high98.3Very high94 Ų9445.4 Ų45.444%0.43923%0.229SC..Hα-helixtrans-68.7-23.2175.5-71.3-172.4-40.400113.1K514 Y520 V560K514-Q518 HydrophobicContact CG-CG 4.08Å; K514-Q518 VanDerWaalsContact CG-OE1 3.28Å; K514-Q518 WeakPolarHBondContact O-CB 2.96Å; K514-Q518 VanDerWaalsContact O-CG 3.22Å; K514-Q518 WeakPolarHBondContact O-CG 3.42Å; K514-Q518 PolarHBondContact O-N 3.42Å; Q518-Y520 VanDerWaalsContact C-N 3.3Å; Q518-V560 HydrophobicContact CG-CG1 3.99Å
519Y97.6Very high98.2Very high98 Ų9849.3 Ų49.338%0.38425%0.247SC..Hα-helixtrans-63.5-39171173.8-107.4000111.3T516 L517 Q522 V657 P658T516-Y519 WeakPolarHBondContact O-CB 3.18Å; T516-Y519 PolarHBondContact O-N 3.27Å; L517-Y519 PolarHBondContact O-N 2.85Å; Y519-Q522 PolarHBondContact O-NE2 2.96Å; Y519-V657 HydrophobicContact CD1-CB 4.39Å; Y519-V657 HydrophobicContact CD1-CG1 4.44Å; Y519-V657 HydrophobicContact CD2-CB 3.76Å; Y519-V657 HydrophobicContact CD2-CG1 3.67Å; Y519-V657 HydrophobicContact CD2-CG2 3.87Å; Y519-V657 HydrophobicContact CE1-CB 4.48Å; Y519-V657 HydrophobicContact CE2-CB 3.86Å; Y519-V657 HydrophobicContact CE2-CG1 4.3Å; Y519-V657 HydrophobicContact CE2-CG2 3.71Å; Y519-V657 HydrophobicContact CG-CB 4.03Å; Y519-V657 HydrophobicContact CG-CG1 3.74Å; Y519-P658 HydrophobicContact CD1-CG 4.32Å; Y519-P658 HydrophobicContact CE1-CG 4.5Å
520Y97.9Very high98.2Very high13 Ų1350.1 Ų50.15%0.05125%0.251CS..Hα-helixtrans-89.9-44.3-179.3-62.1-72000113.7A124 F126 P422 T516 L517 Q518 Q522 M526 F653 E655 P658A124-Y520 HydrophobicContact CB-CD1 4.41Å; A124-Y520 HydrophobicContact CB-CE1 3.61Å; F126-Y520 WeakPolarHBondContact CE2-O 3.36Å; P422-Y520 HydrophobicContact CB-CD1 4.11Å; P422-Y520 HydrophobicContact CB-CD2 3.41Å; P422-Y520 VanDerWaalsContact CB-CD2 3.41Å; P422-Y520 HydrophobicContact CB-CE1 4.32Å; P422-Y520 HydrophobicContact CB-CE2 3.64Å; P422-Y520 HydrophobicContact CB-CG 3.66Å; P422-Y520 HydrophobicContact CG-CD1 4.33Å; P422-Y520 HydrophobicContact CG-CD2 4.17Å; P422-Y520 HydrophobicContact CG-CG 3.94Å; T516-Y520 HydrophobicContact CG2-CE2 4.28Å; T516-Y520 WeakPolarHBondContact O-CD2 3.41Å; L517-Y520 PolarHBondContact O-N 3.41Å; L517-Y520 VanDerWaalsContact O-N 3.16Å; Q518-Y520 VanDerWaalsContact C-N 3.3Å; Y520-Q522 PolarHBondContact O-N 3.22Å; Y520-Q522 PolarHBondContact O-NE2 2.7Å; Y520-Q522 VanDerWaalsContact O-NE2 3.14Å; Y520-M526 WeakPolarHBondContact O-CE 3.33Å; Y520-F653 AromaticContact CE2-CE1 3.81Å; Y520-F653 HydrophobicContact CE2-CE1 3.81Å; Y520-F653 AromaticContact CZ-CE1 3.93Å; Y520-F653 VanDerWaalsContact OH-CD1 3.3Å; Y520-F653 WeakPolarHBondContact OH-CD1 3.4Å; Y520-F653 WeakPolarHBondContact OH-CE1 3.23Å; Y520-E655 PolarHBondContact OH-OE1 3.19Å; Y520-E655 VanDerWaalsContact OH-OE1 3.05Å; Y520-P658 HydrophobicContact CE2-CG 3.98Å; Y520-P658 WeakPolarHBondContact OH-CG 3.17Å
521Y98Very high98.1Very high3 Ų352.7 Ų52.71%0.01226%0.263CS..  trans-96.387.9179.1-64.7-82.6000110.3F126 H421 L517 S523 M526 V527 D530 L533 L563F126-Y521 HydrophobicContact CD1-CE1 4.45Å; F126-Y521 HydrophobicContact CE1-CD1 4.27Å; F126-Y521 AromaticContact CE1-CE1 3.52Å; F126-Y521 HydrophobicContact CE1-CE1 3.52Å; F126-Y521 AromaticContact CE1-CE2 3.99Å; F126-Y521 HydrophobicContact CE1-CE2 3.99Å; F126-Y521 AromaticContact CE1-CZ 3.37Å; F126-Y521 WeakPolarHBondContact CE1-OH 3.15Å; F126-Y521 AromaticContact CZ-CD1 3.85Å; F126-Y521 HydrophobicContact CZ-CD1 3.85Å; F126-Y521 HydrophobicContact CZ-CD2 4.17Å; F126-Y521 AromaticContact CZ-CE1 3.58Å; F126-Y521 HydrophobicContact CZ-CE1 3.58Å; F126-Y521 AromaticContact CZ-CE2 3.93Å; F126-Y521 HydrophobicContact CZ-CE2 3.93Å; F126-Y521 HydrophobicContact CZ-CG 4.15Å; F126-Y521 AromaticContact CZ-CZ 3.65Å; H421-Y521 PolarHBondContact CE1-OH 3.45Å; H421-Y521 PolarHBondContact NE2-OH 2.58Å; L517-Y521 HydrophobicContact CB-CD2 4.4Å; L517-Y521 HydrophobicContact CD2-CE2 4.35Å; L517-Y521 PolarHBondContact O-N 3.47Å; Y521-S523 VanDerWaalsContact C-N 3.25Å; Y521-S523 PolarHBondContact O-N 3.36Å; Y521-M526 HydrophobicContact CD1-CB 3.9Å; Y521-V527 HydrophobicContact CD1-CB 4.44Å; Y521-V527 HydrophobicContact CD1-CG2 3.57Å; Y521-V527 HydrophobicContact CE1-CG2 4.11Å; Y521-V527 HydrophobicContact CG-CG2 3.91Å; Y521-D530 HydrophobicContact CE1-CB 4.31Å; Y521-D530 PolarHBondContact OH-OD2 3.48Å; Y521-L533 HydrophobicContact CE1-CD2 4.45Å; Y521-L563 HydrophobicContact CD2-CD2 3.78Å; Y521-L563 HydrophobicContact CE2-CD2 3.52Å; Y521-L563 HydrophobicContact CG-CD2 4.4Å
522Q96.6Very high98Very high134 Ų13450.3 Ų50.363%0.62625%0.247SC*.  trans-79-8-178.6-53.495.518.900113.5Y519 Y520 M526Y519-Q522 PolarHBondContact O-NE2 2.96Å; Y520-Q522 PolarHBondContact O-N 3.22Å; Y520-Q522 PolarHBondContact O-NE2 2.7Å; Y520-Q522 VanDerWaalsContact O-NE2 3.14Å; Q522-M526 HydrophobicContact CB-SD 4.31Å; Q522-M526 PolarHBondContact N-SD 3.44Å; Q522-M526 VanDerWaalsContact N-SD 3.42Å; Q522-M526 PolarHBondContact OE1-SD 3.05Å
523S97.6Very high98Very high48 Ų4849.9 Ų49.934%0.33625%0.245SC..SBendtrans-149.4159.1176.172.10000112.4Y521 Q525 M526Y521-S523 VanDerWaalsContact C-N 3.25Å; Y521-S523 PolarHBondContact O-N 3.36Å; S523-Q525 PolarHBondContact O-N 3.25Å; S523-Q525 PolarHBondContact OG-N 3.4Å; S523-M526 PolarHBondContact O-N 3.2Å; S523-M526 PolarHBondContact OG-N 3Å
524N98.5Very high97.9Very high73 Ų7350.8 Ų50.839%0.3925%0.25SC..Hα-helixtrans-61.4-30.2172.3-70.8-15.5000112.3M526 V527 Q528 D558 T559 V560N524-M526 VanDerWaalsContact C-N 3.31Å; N524-M526 PolarHBondContact O-N 3.25Å; N524-V527 WeakPolarHBondContact O-CB 3.35Å; N524-V527 PolarHBondContact O-N 3.01Å; N524-Q528 VanDerWaalsContact O-CG 3.31Å; N524-Q528 WeakPolarHBondContact O-CG 3.43Å; N524-Q528 PolarHBondContact O-N 3.37Å; N524-D558 WeakPolarHBondContact CB-O 3.43Å; N524-T559 VanDerWaalsContact OD1-CA 3.28Å; N524-T559 WeakPolarHBondContact OD1-CA 3.13Å; N524-T559 WeakPolarHBondContact OD1-CB 3.44Å; N524-V560 PolarHBondContact OD1-N 3.46Å
525Q98Very high97.9Very high113 Ų11351.4 Ų51.453%0.52825%0.252SS..Hα-helixtrans-61-40.6177.5-178.4173.9-4.200111.5S523 V527 Q528 E529S523-Q525 PolarHBondContact O-N 3.25Å; S523-Q525 PolarHBondContact OG-N 3.4Å; Q525-V527 VanDerWaalsContact C-N 3.3Å; Q525-V527 PolarHBondContact O-N 3.45Å; Q525-Q528 WeakPolarHBondContact O-CB 2.85Å; Q525-Q528 PolarHBondContact O-N 2.64Å; Q525-Q528 VanDerWaalsContact O-N 3.1Å; Q525-E529 HydrophobicContact CG-CG 4.23Å; Q525-E529 VanDerWaalsContact CG-OE1 3.27Å; Q525-E529 WeakPolarHBondContact CG-OE1 3.47Å; Q525-E529 PolarHBondContact NE2-OE1 2.8Å; Q525-E529 WeakPolarHBondContact O-CB 3.49Å; Q525-E529 WeakPolarHBondContact O-CG 3.31Å; Q525-E529 PolarHBondContact O-N 2.71Å
526M97.9Very high97.9Very high37 Ų3750.2 Ų50.218%0.18224%0.239CC..Hα-helixtrans-61.6-39.2177-65.7175.175.200112.3F126 Y520 Y521 Q522 S523 N524 D530F126-M526 HydrophobicContact CD2-CE 3.91Å; F126-M526 HydrophobicContact CE2-CE 3.51Å; F126-M526 HydrophobicContact CZ-CE 4.46Å; Y520-M526 WeakPolarHBondContact O-CE 3.33Å; Y521-M526 HydrophobicContact CD1-CB 3.9Å; Q522-M526 HydrophobicContact CB-SD 4.31Å; Q522-M526 PolarHBondContact N-SD 3.44Å; Q522-M526 VanDerWaalsContact N-SD 3.42Å; Q522-M526 PolarHBondContact OE1-SD 3.05Å; S523-M526 PolarHBondContact O-N 3.2Å; S523-M526 PolarHBondContact OG-N 3Å; N524-M526 VanDerWaalsContact C-N 3.31Å; N524-M526 PolarHBondContact O-N 3.25Å; M526-D530 WeakPolarHBondContact O-CB 3.38Å; M526-D530 PolarHBondContact O-N 3.43Å
527V98.3Very high97.9Very high0 Ų050.1 Ų50.10%024%0.239CC..Hα-helixtrans-63.4-44.2174172.90000110.5Y521 N524 Q525 E529 D530 L533 Q534 F557 V560 L563Y521-V527 HydrophobicContact CD1-CB 4.44Å; Y521-V527 HydrophobicContact CD1-CG2 3.57Å; Y521-V527 HydrophobicContact CE1-CG2 4.11Å; Y521-V527 HydrophobicContact CG-CG2 3.91Å; N524-V527 WeakPolarHBondContact O-CB 3.35Å; N524-V527 PolarHBondContact O-N 3.01Å; Q525-V527 VanDerWaalsContact C-N 3.3Å; Q525-V527 PolarHBondContact O-N 3.45Å; V527-E529 VanDerWaalsContact C-N 3.33Å; V527-E529 PolarHBondContact O-N 3.25Å; V527-D530 PolarHBondContact O-N 3.19Å; V527-L533 HydrophobicContact CG1-CD2 3.84Å; V527-Q534 PolarHBondContact O-NE2 2.96Å; V527-F557 HydrophobicContact CG1-CB 3.54Å; V527-V560 HydrophobicContact CG2-CB 4.45Å; V527-V560 HydrophobicContact CG2-CG2 3.8Å; V527-L563 HydrophobicContact CG2-CD2 4.23Å
528Q98.3Very high97.9Very high74 Ų7451.1 Ų51.135%0.34625%0.249SC..Hα-helixtrans-66.2-33.2-178-72170.512.200113.5N524 Q525 R556 D558N524-Q528 VanDerWaalsContact O-CG 3.31Å; N524-Q528 WeakPolarHBondContact O-CG 3.43Å; N524-Q528 PolarHBondContact O-N 3.37Å; Q525-Q528 WeakPolarHBondContact O-CB 2.85Å; Q525-Q528 PolarHBondContact O-N 2.64Å; Q525-Q528 VanDerWaalsContact O-N 3.1Å; Q528-R556 VanDerWaalsContact CA-NH2 3.29Å; Q528-R556 VanDerWaalsContact CB-NH2 3.28Å; Q528-R556 PolarHBondContact O-NH2 3.15Å; Q528-D558 HydrophobicContact CG-CB 4.46Å; Q528-D558 PolarHBondContact NE2-O 2.9Å
529E97.3Very high97.8Very high103 Ų10347.4 Ų47.448%0.48123%0.232SC..Hα-helixtrans-85.1-22.8-177.3-71.8173.9172.300113Q525 V527 Q531Q525-E529 HydrophobicContact CG-CG 4.23Å; Q525-E529 VanDerWaalsContact CG-OE1 3.27Å; Q525-E529 WeakPolarHBondContact CG-OE1 3.47Å; Q525-E529 PolarHBondContact NE2-OE1 2.8Å; Q525-E529 WeakPolarHBondContact O-CB 3.49Å; Q525-E529 WeakPolarHBondContact O-CG 3.31Å; Q525-E529 PolarHBondContact O-N 2.71Å; V527-E529 VanDerWaalsContact C-N 3.33Å; V527-E529 PolarHBondContact O-N 3.25Å; E529-Q531 PolarHBondContact O-N 2.91Å; E529-Q531 PolarHBondContact O-NE2 3.03Å
530D98.1Very high97.8Very high16 Ų1642.8 Ų42.89%0.08621%0.214CC..  trans-6893-178.4-174.3-15.1000113H421 Y521 M526 V527 A532 L533 Q534H421-D530 IonicContact CE1-OD2 2.71Å; H421-D530 IonicContact NE2-OD1 2.82Å; H421-D530 IonicContact NE2-OD2 3.22Å; H421-D530 PolarHBondContact NE2-OD2 3.41Å; Y521-D530 HydrophobicContact CE1-CB 4.31Å; Y521-D530 PolarHBondContact OH-OD2 3.48Å; M526-D530 WeakPolarHBondContact O-CB 3.38Å; M526-D530 PolarHBondContact O-N 3.43Å; V527-D530 PolarHBondContact O-N 3.19Å; D530-A532 VanDerWaalsContact C-N 3.28Å; D530-A532 PolarHBondContact O-N 2.92Å; D530-A532 PolarHBondContact OD1-N 2.91Å; D530-A532 VanDerWaalsContact OD1-N 3.1Å; D530-L533 HydrophobicContact CB-CB 3.88Å; D530-L533 HydrophobicContact CB-CD2 4.46Å; D530-L533 PolarHBondContact O-N 3.08Å; D530-L533 PolarHBondContact OD1-N 2.91Å; D530-L533 WeakPolarHBondContact OD2-CB 3.48Å; D530-Q534 VanDerWaalsContact O-CG 3.31Å; D530-Q534 WeakPolarHBondContact O-CG 3.4Å; D530-Q534 PolarHBondContact O-N 3.06Å
531Q96.9Very high97.7Very high114 Ų11443 Ų4353%0.53322%0.215SC..Hα-helixtrans-65.5-28.2-178-60.7-54.8-58.800113.9E529 K535E529-Q531 PolarHBondContact O-N 2.91Å; E529-Q531 PolarHBondContact O-NE2 3.03Å; Q531-K535 WeakPolarHBondContact O-CB 3.33Å; Q531-K535 WeakPolarHBondContact O-CD 3.39Å; Q531-K535 VanDerWaalsContact O-CG 3.23Å; Q531-K535 WeakPolarHBondContact O-CG 3.37Å; Q531-K535 PolarHBondContact O-N 3.44Å; Q531-K535 VanDerWaalsContact O-N 3.12Å
532A97.3Very high97.5Very high10 Ų1044.8 Ų44.88%0.08323%0.228CC..Hα-helixtrans-69.3-47.3177.400000109.4W139 Q416 I417 D530 Q534 K535 W536W139-A532 HydrophobicContact CZ2-CB 4.11Å; Q416-A532 WeakPolarHBondContact O-CB 3.27Å; I417-A532 VanDerWaalsContact CD1-C 3.46Å; I417-A532 HydrophobicContact CD1-CB 4.02Å; I417-A532 WeakPolarHBondContact CD1-O 3.29Å; D530-A532 VanDerWaalsContact C-N 3.28Å; D530-A532 PolarHBondContact O-N 2.92Å; D530-A532 PolarHBondContact OD1-N 2.91Å; D530-A532 VanDerWaalsContact OD1-N 3.1Å; A532-Q534 PolarHBondContact O-N 3.26Å; A532-K535 PolarHBondContact O-N 2.72Å; A532-W536 PolarHBondContact O-N 3.1Å
533L98.6Very high97.4Very high0 Ų041.3 Ų41.30%021%0.209CC..Hα-helixtrans-58.1-46.4174.517768000112.4L423 Y521 V527 D530 K535 W536 I537 F557 L563L423-L533 HydrophobicContact CD2-CD1 3.69Å; Y521-L533 HydrophobicContact CE1-CD2 4.45Å; V527-L533 HydrophobicContact CG1-CD2 3.84Å; D530-L533 HydrophobicContact CB-CB 3.88Å; D530-L533 HydrophobicContact CB-CD2 4.46Å; D530-L533 PolarHBondContact O-N 3.08Å; D530-L533 PolarHBondContact OD1-N 2.91Å; D530-L533 WeakPolarHBondContact OD2-CB 3.48Å; L533-K535 VanDerWaalsContact C-N 3.31Å; L533-K535 PolarHBondContact O-N 3.31Å; L533-W536 HydrophobicContact CD1-CE3 3.73Å; L533-W536 HydrophobicContact CD1-CZ3 4.08Å; L533-W536 WeakPolarHBondContact O-CB 3.25Å; L533-W536 PolarHBondContact O-N 3.13Å; L533-I537 PolarHBondContact O-N 2.97Å; L533-I537 VanDerWaalsContact O-N 3.15Å; L533-F557 HydrophobicContact CD1-CD2 3.88Å; L533-F557 HydrophobicContact CD1-CE2 4.01Å; L533-F557 HydrophobicContact CD2-CD2 4.09Å; L533-F557 HydrophobicContact CG-CD2 3.89Å; L533-F557 HydrophobicContact CG-CE2 4.47Å; L533-L563 HydrophobicContact CD1-CD1 3.52Å; L533-L563 HydrophobicContact CD2-CD1 4.11Å; L533-L563 HydrophobicContact CD2-CD2 3.93Å; L533-L563 HydrophobicContact CG-CD1 4.43Å
534Q98.5Very high97.1Very high19 Ų1939 Ų399%0.08919%0.193CC..Hα-helixtrans-65.6-34.7-179.5-59.9-49.1-27.100112.6V527 D530 A532 I537 G538 R556 F557V527-Q534 PolarHBondContact O-NE2 2.96Å; D530-Q534 VanDerWaalsContact O-CG 3.31Å; D530-Q534 WeakPolarHBondContact O-CG 3.4Å; D530-Q534 PolarHBondContact O-N 3.06Å; A532-Q534 PolarHBondContact O-N 3.26Å; Q534-I537 WeakPolarHBondContact O-CG2 3.36Å; Q534-G538 PolarHBondContact O-N 3.05Å; Q534-R556 HydrophobicContact CG-CG 4.4Å; Q534-R556 VanDerWaalsContact OE1-CA 3.24Å; Q534-F557 PolarHBondContact NE2-O 2.77Å
535K97.6Very high96.9Very high103 Ų10335.7 Ų35.745%0.44818%0.175SC..Hα-helixtrans-69.6-37.3173.5-73.1171.4-175.2175.70112.1Q416 Q531 A532 L533 G538 D539Q416-K535 HydrophobicContact CB-CB 4.28Å; Q416-K535 HydrophobicContact CG-CB 4.19Å; Q531-K535 WeakPolarHBondContact O-CB 3.33Å; Q531-K535 WeakPolarHBondContact O-CD 3.39Å; Q531-K535 VanDerWaalsContact O-CG 3.23Å; Q531-K535 WeakPolarHBondContact O-CG 3.37Å; Q531-K535 PolarHBondContact O-N 3.44Å; Q531-K535 VanDerWaalsContact O-N 3.12Å; A532-K535 PolarHBondContact O-N 2.72Å; L533-K535 VanDerWaalsContact C-N 3.31Å; L533-K535 PolarHBondContact O-N 3.31Å; K535-G538 PolarHBondContact O-N 3.14Å; K535-D539 PolarHBondContact O-N 2.84Å
536W98.3Very high96.7Very high1 Ų132.3 Ų32.30%0.00416%0.161CC..Hα-helixtrans-59.8-51.7177172.168.2000112.4A412 Q416 I417 L423 L427 A532 L533 G538 D539 I540 F557 L563 F566 V567 V570A412-W536 VanDerWaalsContact C-CD1 3.45Å; Q416-W536 HydrophobicContact CB-CB 3.98Å; I417-W536 HydrophobicContact CD1-CB 3.6Å; I417-W536 HydrophobicContact CD1-CG 4.14Å; I417-W536 HydrophobicContact CG1-CB 3.86Å; I417-W536 HydrophobicContact CG1-CG 3.94Å; L423-W536 HydrophobicContact CD2-CD2 3.96Å; L423-W536 HydrophobicContact CD2-CE3 3.64Å; L423-W536 HydrophobicContact CD2-CH2 4.1Å; L423-W536 HydrophobicContact CD2-CZ2 4.42Å; L423-W536 HydrophobicContact CD2-CZ3 3.7Å; L427-W536 HydrophobicContact CD1-CH2 3.99Å; L427-W536 HydrophobicContact CD1-CZ2 3.61Å; A532-W536 PolarHBondContact O-N 3.1Å; L533-W536 HydrophobicContact CD1-CE3 3.73Å; L533-W536 HydrophobicContact CD1-CZ3 4.08Å; L533-W536 WeakPolarHBondContact O-CB 3.25Å; L533-W536 PolarHBondContact O-N 3.13Å; W536-G538 VanDerWaalsContact C-N 3.28Å; W536-G538 PolarHBondContact O-N 3.43Å; W536-D539 PolarHBondContact O-N 3.49Å; W536-I540 HydrophobicContact CD2-CD1 4.02Å; W536-I540 HydrophobicContact CG-CD1 4.47Å; W536-I540 HydrophobicContact CH2-CD1 4.35Å; W536-I540 HydrophobicContact CZ2-CD1 3.69Å; W536-I540 WeakPolarHBondContact O-CG1 3.41Å; W536-I540 PolarHBondContact O-N 3.44Å; W536-I540 VanDerWaalsContact O-N 3.14Å; W536-F557 HydrophobicContact CE3-CE2 4.02Å; W536-F557 AromaticContact CZ3-CE2 3.78Å; W536-F557 HydrophobicContact CZ3-CE2 3.78Å; W536-F557 HydrophobicContact CZ3-CZ 4.2Å; W536-L563 HydrophobicContact CZ3-CD1 4.49Å; W536-F566 AromaticContact CH2-CD1 3.61Å; W536-F566 HydrophobicContact CH2-CD1 3.61Å; W536-F566 AromaticContact CH2-CE1 3.55Å; W536-F566 HydrophobicContact CH2-CE1 3.55Å; W536-F566 HydrophobicContact CZ2-CE1 4.13Å; W536-F566 AromaticContact CZ3-CD1 3.86Å; W536-F566 HydrophobicContact CZ3-CD1 3.86Å; W536-F566 AromaticContact CZ3-CE1 3.94Å; W536-F566 HydrophobicContact CZ3-CE1 3.94Å; W536-V567 HydrophobicContact CH2-CG2 4.16Å; W536-V567 HydrophobicContact CZ3-CG2 4.43Å; W536-V570 HydrophobicContact CH2-CG2 4.44Å; W536-V570 HydrophobicContact CZ2-CG2 4.46Å
537I98.4Very high96.5Very high0 Ų033.3 Ų33.30%017%0.171CC..Hα-helixtrans-67-32.7176.2-173.856.2000112.1L533 Q534 I540 Y541 P554 F557 F566L533-I537 PolarHBondContact O-N 2.97Å; L533-I537 VanDerWaalsContact O-N 3.15Å; Q534-I537 WeakPolarHBondContact O-CG2 3.36Å; I537-I540 HydrophobicContact CD1-CB 4.39Å; I537-I540 PolarHBondContact O-N 2.71Å; I537-Y541 WeakPolarHBondContact O-CB 3.39Å; I537-Y541 PolarHBondContact O-N 2.86Å; I537-P554 HydrophobicContact CD1-CG 3.94Å; I537-P554 WeakPolarHBondContact CD1-O 3.33Å; I537-P554 HydrophobicContact CG1-CB 4.29Å; I537-P554 HydrophobicContact CG1-CG 4.2Å; I537-P554 WeakPolarHBondContact CG1-O 3.47Å; I537-F557 HydrophobicContact CB-CD2 4.12Å; I537-F557 HydrophobicContact CB-CE2 3.52Å; I537-F557 HydrophobicContact CB-CZ 3.96Å; I537-F557 HydrophobicContact CD1-CE2 4.26Å; I537-F557 HydrophobicContact CD1-CZ 3.8Å; I537-F557 HydrophobicContact CG1-CD2 4.5Å; I537-F557 HydrophobicContact CG1-CE1 4.37Å; I537-F557 HydrophobicContact CG1-CE2 3.84Å; I537-F557 HydrophobicContact CG1-CZ 3.74Å; I537-F557 HydrophobicContact CG2-CD2 3.94Å; I537-F557 HydrophobicContact CG2-CE2 3.88Å; I537-F566 HydrophobicContact CD1-CD2 4.3Å; I537-F566 HydrophobicContact CD1-CE1 3.92Å; I537-F566 HydrophobicContact CD1-CE2 3.64Å; I537-F566 HydrophobicContact CD1-CZ 3.42Å; I537-F566 VanDerWaalsContact CD1-CZ 3.42Å
538G97.8Very high96.2Very high20 Ų2038.5 Ų38.521%0.20620%0.195CC..Hα-helixtrans-59.9-43.2172.600000113.3Q534 K535 W536 S542Q534-G538 PolarHBondContact O-N 3.05Å; K535-G538 PolarHBondContact O-N 3.14Å; W536-G538 VanDerWaalsContact C-N 3.28Å; W536-G538 PolarHBondContact O-N 3.43Å; G538-S542 VanDerWaalsContact O-CB 3.27Å; G538-S542 WeakPolarHBondContact O-CB 3.37Å; G538-S542 PolarHBondContact O-N 2.82Å; G538-S542 PolarHBondContact O-OG 3.01Å
539D95.8Very high95.8Very high17 Ų1742.6 Ų42.69%0.09121%0.212CC..Hα-helixtrans-63.5-45.3174.6-89.522000110.5A412 R415 Q416 K535 W536 S542 Y543A412-D539 HydrophobicContact CB-CB 3.9Å; R415-D539 IonicContact CZ-OD2 3.62Å; R415-D539 IonicContact NE-OD2 2.82Å; R415-D539 PolarHBondContact NE-OD2 2.99Å; R415-D539 VanDerWaalsContact NE-OD2 3.09Å; R415-D539 IonicContact NH2-OD2 3.8Å; Q416-D539 HydrophobicContact CG-CB 4.38Å; Q416-D539 WeakPolarHBondContact CG-OD2 3.36Å; Q416-D539 VanDerWaalsContact NE2-CG 3.27Å; Q416-D539 PolarHBondContact NE2-OD1 3.31Å; Q416-D539 PolarHBondContact NE2-OD2 3.01Å; K535-D539 PolarHBondContact O-N 2.84Å; W536-D539 PolarHBondContact O-N 3.49Å; D539-S542 PolarHBondContact O-N 2.71Å; D539-Y543 HydrophobicContact CB-CD2 3.99Å; D539-Y543 HydrophobicContact CB-CE2 4.34Å; D539-Y543 VanDerWaalsContact O-CB 3.31Å; D539-Y543 WeakPolarHBondContact O-CB 3.49Å; D539-Y543 VanDerWaalsContact O-CD2 3.29Å; D539-Y543 WeakPolarHBondContact O-CD2 3.21Å; D539-Y543 PolarHBondContact O-N 3.35Å
540I97.3Very high95.5Very high0 Ų044.7 Ų44.70%023%0.227CC..Iπ-helixtrans-61.9-47.4178.4-64.5167.8000111.2V408 F409 A412 W536 I537 S542 G544 F545 F566V408-I540 HydrophobicContact CG1-CB 4.37Å; V408-I540 HydrophobicContact CG1-CG1 4.24Å; V408-I540 HydrophobicContact CG1-CG2 4.16Å; F409-I540 HydrophobicContact CD1-CD1 3.86Å; F409-I540 HydrophobicContact CD1-CG1 4.16Å; F409-I540 HydrophobicContact CD1-CG2 4.12Å; F409-I540 HydrophobicContact CE1-CD1 4.49Å; F409-I540 HydrophobicContact CE1-CG2 3.91Å; A412-I540 HydrophobicContact CB-CD1 4.34Å; A412-I540 HydrophobicContact CB-CG1 3.66Å; W536-I540 HydrophobicContact CD2-CD1 4.02Å; W536-I540 HydrophobicContact CG-CD1 4.47Å; W536-I540 HydrophobicContact CH2-CD1 4.35Å; W536-I540 HydrophobicContact CZ2-CD1 3.69Å; W536-I540 WeakPolarHBondContact O-CG1 3.41Å; W536-I540 PolarHBondContact O-N 3.44Å; W536-I540 VanDerWaalsContact O-N 3.14Å; I537-I540 HydrophobicContact CD1-CB 4.39Å; I537-I540 PolarHBondContact O-N 2.71Å; I540-S542 VanDerWaalsContact C-N 3.34Å; I540-S542 PolarHBondContact O-N 3.5Å; I540-G544 WeakPolarHBondContact O-CA 3.45Å; I540-G544 PolarHBondContact O-N 3.46Å; I540-F545 HydrophobicContact CG2-CD2 4.01Å; I540-F545 HydrophobicContact CG2-CE2 3.79Å; I540-F545 WeakPolarHBondContact O-CD2 3.41Å; I540-F545 PolarHBondContact O-N 3.33Å; I540-F566 HydrophobicContact CD1-CE1 3.89Å; I540-F566 HydrophobicContact CD1-CZ 4.03Å; I540-F566 HydrophobicContact CG2-CZ 4.19Å
541Y97.1Very high95.3Very high19 Ų1944.3 Ų44.38%0.07523%0.225CC..Iπ-helixtrans-60-44.9177.4174-99.1000111.8I537 F545 L546 S547 I553 K555I537-Y541 WeakPolarHBondContact O-CB 3.39Å; I537-Y541 PolarHBondContact O-N 2.86Å; Y541-F545 CarbonylContact O-C 3.45Å; Y541-F545 PolarHBondContact O-N 3.22Å; Y541-L546 PolarHBondContact O-N 3.23Å; Y541-S547 VanDerWaalsContact CZ-CA 3.46Å; Y541-S547 PolarHBondContact O-N 3.42Å; Y541-S547 PolarHBondContact OH-O 3.12Å; Y541-I553 HydrophobicContact CD2-CG2 4.41Å; Y541-K555 HydrophobicContact CD1-CG 3.92Å; Y541-K555 HydrophobicContact CD2-CG 3.79Å; Y541-K555 HydrophobicContact CE1-CD 4.19Å; Y541-K555 VanDerWaalsContact CE1-CE 3.44Å; Y541-K555 HydrophobicContact CE1-CG 3.92Å; Y541-K555 HydrophobicContact CE2-CD 4.38Å; Y541-K555 VanDerWaalsContact CE2-CE 3.5Å; Y541-K555 HydrophobicContact CE2-CG 3.81Å; Y541-K555 HydrophobicContact CG-CG 3.86Å; Y541-K555 WeakPolarHBondContact OH-CE 3.13Å; Y541-K555 PolarHBondContact OH-NZ 3.06Å
542S94.3Very high95.3Very high40 Ų4041.4 Ų41.428%0.2823%0.225SC..Iπ-helixtrans-76.5-43.6-172.8-53.50000112.6G538 D539 I540 L546G538-S542 VanDerWaalsContact O-CB 3.27Å; G538-S542 WeakPolarHBondContact O-CB 3.37Å; G538-S542 PolarHBondContact O-N 2.82Å; G538-S542 PolarHBondContact O-OG 3.01Å; D539-S542 PolarHBondContact O-N 2.71Å; I540-S542 VanDerWaalsContact C-N 3.34Å; I540-S542 PolarHBondContact O-N 3.5Å; S542-L546 VanDerWaalsContact O-CA 3.3Å; S542-L546 WeakPolarHBondContact O-CA 3.38Å; S542-L546 PolarHBondContact O-N 3.47Å
543Y92.8Very high95.3Very high61 Ų6141.3 Ų41.324%0.23922%0.223CC..Iπ-helixtrans-102.3-28.6-171.2-58.8-59.9000113.1W180 Y189 D539W180-Y543 HydrophobicContact CD2-CG 4.31Å; W180-Y543 AromaticContact CE2-CD2 3.76Å; W180-Y543 AromaticContact CE2-CG 3.81Å; W180-Y543 AromaticContact CZ2-CD2 3.82Å; W180-Y543 HydrophobicContact CZ2-CD2 3.82Å; W180-Y543 AromaticContact CZ2-CG 3.98Å; W180-Y543 HydrophobicContact CZ2-CG 3.98Å; W180-Y543 AromaticContact NE1-CD2 3.62Å; W180-Y543 AromaticContact NE1-CE2 3.78Å; W180-Y543 AromaticContact NE1-CG 3.91Å; Y189-Y543 HydrophobicContact CD1-CD1 4.16Å; Y189-Y543 HydrophobicContact CD2-CD1 4.03Å; Y189-Y543 VanDerWaalsContact CD2-O 3.26Å; Y189-Y543 WeakPolarHBondContact CD2-O 3.49Å; Y189-Y543 HydrophobicContact CE1-CD1 4.24Å; Y189-Y543 HydrophobicContact CE2-CD1 4.13Å; Y189-Y543 HydrophobicContact CG-CD1 4.03Å; Y189-Y543 PolarHBondContact N-O 3Å; D539-Y543 HydrophobicContact CB-CD2 3.99Å; D539-Y543 HydrophobicContact CB-CE2 4.34Å; D539-Y543 VanDerWaalsContact O-CB 3.31Å; D539-Y543 WeakPolarHBondContact O-CB 3.49Å; D539-Y543 VanDerWaalsContact O-CD2 3.29Å; D539-Y543 WeakPolarHBondContact O-CD2 3.21Å; D539-Y543 PolarHBondContact O-N 3.35Å
544G92.6Very high95.2Very high0 Ų042.6 Ų42.60%023%0.232CC..Iπ-helixtrans-81-47.8173.500000113.1P188 I540P188-G544 WeakPolarHBondContact CB-O 3.44Å; I540-G544 WeakPolarHBondContact O-CA 3.45Å; I540-G544 PolarHBondContact O-N 3.46Å
545F94.6Very high95.1Very high2 Ų246.9 Ų46.91%0.00925%0.25CS..SBendtrans-109.214.9-172.5-63.8-85.2000113.1L405 M474 L479 I540 Y541 S547 E548 T551 I553L405-F545 HydrophobicContact CD1-CZ 4.39Å; L405-F545 HydrophobicContact CD2-CE1 4.32Å; L405-F545 HydrophobicContact CD2-CE2 4.31Å; L405-F545 HydrophobicContact CD2-CZ 3.85Å; M474-F545 HydrophobicContact SD-CE1 3.84Å; L479-F545 HydrophobicContact CD1-CE1 4.26Å; L479-F545 HydrophobicContact CD1-CZ 3.85Å; I540-F545 HydrophobicContact CG2-CD2 4.01Å; I540-F545 HydrophobicContact CG2-CE2 3.79Å; I540-F545 WeakPolarHBondContact O-CD2 3.41Å; I540-F545 PolarHBondContact O-N 3.33Å; Y541-F545 CarbonylContact O-C 3.45Å; Y541-F545 PolarHBondContact O-N 3.22Å; F545-S547 PolarHBondContact O-N 2.93Å; F545-E548 WeakPolarHBondContact O-CB 3.31Å; F545-E548 PolarHBondContact O-N 3Å; F545-T551 HydrophobicContact CB-CG2 4.34Å; F545-T551 HydrophobicContact CD1-CG2 4.1Å; F545-I553 HydrophobicContact CD1-CG1 3.79Å; F545-I553 HydrophobicContact CD2-CB 4.15Å; F545-I553 HydrophobicContact CD2-CD1 4.28Å; F545-I553 HydrophobicContact CD2-CG1 3.79Å; F545-I553 HydrophobicContact CD2-CG2 3.78Å; F545-I553 HydrophobicContact CE1-CD1 4Å; F545-I553 HydrophobicContact CE1-CG1 3.66Å; F545-I553 HydrophobicContact CE2-CB 4.39Å; F545-I553 HydrophobicContact CE2-CD1 3.65Å; F545-I553 HydrophobicContact CE2-CG1 3.66Å; F545-I553 HydrophobicContact CE2-CG2 4.02Å; F545-I553 HydrophobicContact CG-CB 4.28Å; F545-I553 HydrophobicContact CG-CG1 3.85Å; F545-I553 HydrophobicContact CG-CG2 4.36Å; F545-I553 HydrophobicContact CZ-CD1 3.49Å; F545-I553 VanDerWaalsContact CZ-CD1 3.49Å; F545-I553 HydrophobicContact CZ-CG1 3.6Å
546L93.1Very high95.1Very high43 Ų4346.9 Ų46.923%0.22525%0.247CC..THydrogen-bonded Turntrans5528.8172.3-52.6-176.4000114.3L187 Y189 L471 Y541 S542 E548L187-L546 WeakPolarHBondContact O-CD2 3.5Å; Y189-L546 HydrophobicContact CD2-CD2 3.72Å; Y189-L546 HydrophobicContact CE2-CD2 3.62Å; L471-L546 HydrophobicContact CD2-CD1 3.73Å; L471-L546 HydrophobicContact CD2-CG 4.11Å; Y541-L546 PolarHBondContact O-N 3.23Å; S542-L546 VanDerWaalsContact O-CA 3.3Å; S542-L546 WeakPolarHBondContact O-CA 3.38Å; S542-L546 PolarHBondContact O-N 3.47Å; L546-E548 HydrophobicContact CB-CG 4.38Å; L546-E548 PolarHBondContact O-N 2.84Å
547S93.8Very high95.1Very high58 Ų5846.9 Ų46.941%0.40625%0.247SC..THydrogen-bonded Turntrans58.823.5-173.9-53.70000114.9Y541 F545 K549Y541-S547 VanDerWaalsContact CZ-CA 3.46Å; Y541-S547 PolarHBondContact O-N 3.42Å; Y541-S547 PolarHBondContact OH-O 3.12Å; F545-S547 PolarHBondContact O-N 2.93Å; S547-K549 PolarHBondContact O-N 2.83Å
548E91.9Very high95.1Very high108 Ų10850.1 Ų50.151%0.50527%0.265SS..  trans-76.6121-179.4-71.2-59.8153.700112.2F545 L546 N550 T551F545-E548 WeakPolarHBondContact O-CB 3.31Å; F545-E548 PolarHBondContact O-N 3Å; L546-E548 HydrophobicContact CB-CG 4.38Å; L546-E548 PolarHBondContact O-N 2.84Å; E548-N550 VanDerWaalsContact C-N 3.32Å; E548-N550 PolarHBondContact O-N 3.42Å; E548-T551 HydrophobicContact CB-CG2 3.86Å; E548-T551 PolarHBondContact O-OG1 2.9Å
549K90.1Very high95.2Very high160 Ų16051.2 Ų51.270%0.69627%0.268SS*.G310 helixtrans-69.8-28.7-174.9-65.9-179.8-177.2174.80113.1S547 T551S547-K549 PolarHBondContact O-N 2.83Å; K549-T551 PolarHBondContact O-N 3.1Å
550N90.5Very high95.3Very high148 Ų14851 Ų5179%0.79127%0.267SS*.G310 helixtrans-79.1-8-171.5-62.1-19.3000113.3E548 G552E548-N550 VanDerWaalsContact C-N 3.32Å; E548-N550 PolarHBondContact O-N 3.42Å; N550-G552 VanDerWaalsContact C-N 3.3Å; N550-G552 PolarHBondContact O-N 2.86Å
551T93.9Very high95.4Very high8 Ų853.4 Ų53.45%0.04929%0.291CS..G310 helixtrans-71.8-24.8178.862.70000112.4T475 Y476 F545 E548 K549 I553T475-T551 CarbonylContact C-O 3.23Å; T475-T551 WeakPolarHBondContact CA-O 3.49Å; Y476-T551 PolarHBondContact N-O 3.18Å; F545-T551 HydrophobicContact CB-CG2 4.34Å; F545-T551 HydrophobicContact CD1-CG2 4.1Å; E548-T551 HydrophobicContact CB-CG2 3.86Å; E548-T551 PolarHBondContact O-OG1 2.9Å; K549-T551 PolarHBondContact O-N 3.1Å; T551-I553 PolarHBondContact O-N 3.22Å; T551-I553 PolarHBondContact OG1-N 3.24Å
552G96.4Very high95.4Very high52 Ų5256.4 Ų56.454%0.53631%0.306SS..  trans70.15.2-173.700000114.5N550N550-G552 VanDerWaalsContact C-N 3.3Å; N550-G552 PolarHBondContact O-N 2.86Å
553I97.3Very high95.6Very high8 Ų854.5 Ų54.54%0.04129%0.293CS..  trans-64.5134.3172-71.1-76.7000109Y476 L479 Y541 F545 T551 F566Y476-I553 HydrophobicContact CD2-CD1 3.66Å; Y476-I553 HydrophobicContact CG-CD1 3.91Å; L479-I553 HydrophobicContact CD1-CD1 4.29Å; Y541-I553 HydrophobicContact CD2-CG2 4.41Å; F545-I553 HydrophobicContact CD1-CG1 3.79Å; F545-I553 HydrophobicContact CD2-CB 4.15Å; F545-I553 HydrophobicContact CD2-CD1 4.28Å; F545-I553 HydrophobicContact CD2-CG1 3.79Å; F545-I553 HydrophobicContact CD2-CG2 3.78Å; F545-I553 HydrophobicContact CE1-CD1 4Å; F545-I553 HydrophobicContact CE1-CG1 3.66Å; F545-I553 HydrophobicContact CE2-CB 4.39Å; F545-I553 HydrophobicContact CE2-CD1 3.65Å; F545-I553 HydrophobicContact CE2-CG1 3.66Å; F545-I553 HydrophobicContact CE2-CG2 4.02Å; F545-I553 HydrophobicContact CG-CB 4.28Å; F545-I553 HydrophobicContact CG-CG1 3.85Å; F545-I553 HydrophobicContact CG-CG2 4.36Å; F545-I553 HydrophobicContact CZ-CD1 3.49Å; F545-I553 VanDerWaalsContact CZ-CD1 3.49Å; F545-I553 HydrophobicContact CZ-CG1 3.6Å; T551-I553 PolarHBondContact O-N 3.22Å; T551-I553 PolarHBondContact OG1-N 3.24Å; I553-F566 HydrophobicContact CD1-CE2 4.3Å; I553-F566 HydrophobicContact CG2-CE2 4.5Å
554P97.2Very high95.9Very high27 Ų2751.8 Ų51.818%0.17528%0.283CS..  trans-63.8145.2-17919.9-26.3000111.2I537 F557 F566I537-P554 HydrophobicContact CD1-CG 3.94Å; I537-P554 WeakPolarHBondContact CD1-O 3.33Å; I537-P554 HydrophobicContact CG1-CB 4.29Å; I537-P554 HydrophobicContact CG1-CG 4.2Å; I537-P554 WeakPolarHBondContact CG1-O 3.47Å; P554-F557 HydrophobicContact CB-CD1 4.41Å; P554-F557 HydrophobicContact CB-CE1 4.12Å; P554-F557 HydrophobicContact CG-CD1 4.37Å; P554-F557 HydrophobicContact CG-CE1 3.62Å; P554-F557 HydrophobicContact CG-CZ 4.23Å; P554-F566 HydrophobicContact CG-CD2 3.68Å; P554-F566 HydrophobicContact CG-CE2 3.96Å
555K96.6Very high96.2Very high110 Ų11054.9 Ų54.948%0.47830%0.296SS..SBendtrans-92.2-19.2170.9-67.8173.7172.1179.60112.7Y541Y541-K555 HydrophobicContact CD1-CG 3.92Å; Y541-K555 HydrophobicContact CD2-CG 3.79Å; Y541-K555 HydrophobicContact CE1-CD 4.19Å; Y541-K555 VanDerWaalsContact CE1-CE 3.44Å; Y541-K555 HydrophobicContact CE1-CG 3.92Å; Y541-K555 HydrophobicContact CE2-CD 4.38Å; Y541-K555 VanDerWaalsContact CE2-CE 3.5Å; Y541-K555 HydrophobicContact CE2-CG 3.81Å; Y541-K555 HydrophobicContact CG-CG 3.86Å; Y541-K555 WeakPolarHBondContact OH-CE 3.13Å; Y541-K555 PolarHBondContact OH-NZ 3.06Å
556R97.8Very high96.4Very high102 Ų10254.8 Ų54.839%0.38530%0.296SS..SBendtrans-160.2151.2-169.5-171.9-169158.183.30.9106.5Q528 Q534 D558Q528-R556 VanDerWaalsContact CA-NH2 3.29Å; Q528-R556 VanDerWaalsContact CB-NH2 3.28Å; Q528-R556 PolarHBondContact O-NH2 3.15Å; Q534-R556 HydrophobicContact CG-CG 4.4Å; Q534-R556 VanDerWaalsContact OE1-CA 3.24Å; R556-D558 IonicContact CZ-OD1 3.15Å; R556-D558 IonicContact NE-OD1 3.69Å; R556-D558 PolarHBondContact NE-OD1 3.38Å; R556-D558 IonicContact NH2-OD1 2.84Å
557F98.4Very high96.7Very high1 Ų152.8 Ų52.80%0.00429%0.285CS..  trans-103.7134.8166.5-60.6-62.7000110.4V527 L533 Q534 W536 I537 P554 E562 L563 F566V527-F557 HydrophobicContact CG1-CB 3.54Å; L533-F557 HydrophobicContact CD1-CD2 3.88Å; L533-F557 HydrophobicContact CD1-CE2 4.01Å; L533-F557 HydrophobicContact CD2-CD2 4.09Å; L533-F557 HydrophobicContact CG-CD2 3.89Å; L533-F557 HydrophobicContact CG-CE2 4.47Å; Q534-F557 PolarHBondContact NE2-O 2.77Å; W536-F557 HydrophobicContact CE3-CE2 4.02Å; W536-F557 AromaticContact CZ3-CE2 3.78Å; W536-F557 HydrophobicContact CZ3-CE2 3.78Å; W536-F557 HydrophobicContact CZ3-CZ 4.2Å; I537-F557 HydrophobicContact CB-CD2 4.12Å; I537-F557 HydrophobicContact CB-CE2 3.52Å; I537-F557 HydrophobicContact CB-CZ 3.96Å; I537-F557 HydrophobicContact CD1-CE2 4.26Å; I537-F557 HydrophobicContact CD1-CZ 3.8Å; I537-F557 HydrophobicContact CG1-CD2 4.5Å; I537-F557 HydrophobicContact CG1-CE1 4.37Å; I537-F557 HydrophobicContact CG1-CE2 3.84Å; I537-F557 HydrophobicContact CG1-CZ 3.74Å; I537-F557 HydrophobicContact CG2-CD2 3.94Å; I537-F557 HydrophobicContact CG2-CE2 3.88Å; P554-F557 HydrophobicContact CB-CD1 4.41Å; P554-F557 HydrophobicContact CB-CE1 4.12Å; P554-F557 HydrophobicContact CG-CD1 4.37Å; P554-F557 HydrophobicContact CG-CE1 3.62Å; P554-F557 HydrophobicContact CG-CZ 4.23Å; F557-E562 HydrophobicContact CD1-CB 4.01Å; F557-L563 HydrophobicContact CD2-CD1 4.07Å; F557-L563 HydrophobicContact CE2-CD1 4.02Å; F557-L563 HydrophobicContact CG-CB 4.48Å; F557-F566 HydrophobicContact CE1-CB 3.58Å; F557-F566 HydrophobicContact CE1-CD1 4.33Å; F557-F566 HydrophobicContact CE1-CD2 4.14Å; F557-F566 AromaticContact CE1-CG 3.76Å; F557-F566 HydrophobicContact CE1-CG 3.76Å; F557-F566 HydrophobicContact CE2-CD1 4.48Å; F557-F566 HydrophobicContact CZ-CB 3.66Å; F557-F566 AromaticContact CZ-CD1 3.57Å; F557-F566 HydrophobicContact CZ-CD1 3.57Å; F557-F566 HydrophobicContact CZ-CD2 4.03Å; F557-F566 HydrophobicContact CZ-CE1 4.2Å; F557-F566 AromaticContact CZ-CG 3.47Å; F557-F566 HydrophobicContact CZ-CG 3.47Å; F557-F566 VanDerWaalsContact CZ-CG 3.47Å
558D98.1Very high97Very high68 Ų6850 Ų5036%0.36427%0.266SS..  trans-113.8-17.6176.7-68.3-52.5000112.4N524 Q528 R556 E562N524-D558 WeakPolarHBondContact CB-O 3.43Å; Q528-D558 HydrophobicContact CG-CB 4.46Å; Q528-D558 PolarHBondContact NE2-O 2.9Å; R556-D558 IonicContact CZ-OD1 3.15Å; R556-D558 IonicContact NE-OD1 3.69Å; R556-D558 PolarHBondContact NE-OD1 3.38Å; R556-D558 IonicContact NH2-OD1 2.84Å; D558-E562 PolarHBondContact N-OE2 3.22Å
559T98.8Very high97.3Very high44 Ų4444.9 Ų44.927%0.2724%0.242SC..SBendtrans-131.9155.3179.571.50000113.4N524 G561 E562 L563N524-T559 VanDerWaalsContact OD1-CA 3.28Å; N524-T559 WeakPolarHBondContact OD1-CA 3.13Å; N524-T559 WeakPolarHBondContact OD1-CB 3.44Å; T559-G561 PolarHBondContact O-N 2.95Å; T559-E562 PolarHBondContact N-OE2 3.43Å; T559-E562 PolarHBondContact O-N 3.31Å; T559-E562 VanDerWaalsContact OG1-CG 3.23Å; T559-E562 WeakPolarHBondContact OG1-CG 3.21Å; T559-E562 PolarHBondContact OG1-N 2.96Å; T559-E562 VanDerWaalsContact OG1-N 3.17Å; T559-E562 PolarHBondContact OG1-OE2 3.27Å; T559-L563 PolarHBondContact O-N 3.1Å
560V98.7Very high97.7Very high12 Ų1237.4 Ų37.47%0.07321%0.21CC..Hα-helixtrans-61.4-34.8173.3-174.90000111Q518 N524 V527 L563 V564Q518-V560 HydrophobicContact CG-CG1 3.99Å; N524-V560 PolarHBondContact OD1-N 3.46Å; V527-V560 HydrophobicContact CG2-CB 4.45Å; V527-V560 HydrophobicContact CG2-CG2 3.8Å; V560-L563 PolarHBondContact O-N 3.19Å; V560-V564 HydrophobicContact CG1-CG2 4.21Å; V560-V564 WeakPolarHBondContact O-CB 3.29Å; V560-V564 VanDerWaalsContact O-CG2 3.26Å; V560-V564 WeakPolarHBondContact O-CG2 3.36Å; V560-V564 PolarHBondContact O-N 3.01Å
561G98.7Very high98.1Very high50 Ų5030.4 Ų30.452%0.51517%0.172SC..Hα-helixtrans-64.3-42.3178.600000113.3T559 V564 K565T559-G561 PolarHBondContact O-N 2.95Å; G561-V564 PolarHBondContact O-N 3.44Å; G561-K565 WeakPolarHBondContact O-CB 3.27Å; G561-K565 PolarHBondContact O-N 3.3Å
562E98.5Very high98.4Very high83 Ų8330.1 Ų30.139%0.38817%0.17SC..Hα-helixtrans-62.8-44.9175.4-71.5163.2159.800111.5F557 D558 T559 K565 F566F557-E562 HydrophobicContact CD1-CB 4.01Å; D558-E562 PolarHBondContact N-OE2 3.22Å; T559-E562 PolarHBondContact N-OE2 3.43Å; T559-E562 PolarHBondContact O-N 3.31Å; T559-E562 VanDerWaalsContact OG1-CG 3.23Å; T559-E562 WeakPolarHBondContact OG1-CG 3.21Å; T559-E562 PolarHBondContact OG1-N 2.96Å; T559-E562 VanDerWaalsContact OG1-N 3.17Å; T559-E562 PolarHBondContact OG1-OE2 3.27Å; E562-K565 PolarHBondContact O-N 2.88Å; E562-F566 WeakPolarHBondContact O-CB 3.4Å; E562-F566 PolarHBondContact O-N 3.19Å
563L98.9Very high98.5Very high0 Ų027.8 Ų27.80%015%0.145CC..Hα-helixtrans-59.8-49.3176.6175.461.3000111.2L517 Y521 V527 L533 W536 F557 T559 V560 K565 F566 V567L517-L563 HydrophobicContact CD1-CD2 4.11Å; L517-L563 HydrophobicContact CD1-CG 3.91Å; Y521-L563 HydrophobicContact CD2-CD2 3.78Å; Y521-L563 HydrophobicContact CE2-CD2 3.52Å; Y521-L563 HydrophobicContact CG-CD2 4.4Å; V527-L563 HydrophobicContact CG2-CD2 4.23Å; L533-L563 HydrophobicContact CD1-CD1 3.52Å; L533-L563 HydrophobicContact CD2-CD1 4.11Å; L533-L563 HydrophobicContact CD2-CD2 3.93Å; L533-L563 HydrophobicContact CG-CD1 4.43Å; W536-L563 HydrophobicContact CZ3-CD1 4.49Å; F557-L563 HydrophobicContact CD2-CD1 4.07Å; F557-L563 HydrophobicContact CE2-CD1 4.02Å; F557-L563 HydrophobicContact CG-CB 4.48Å; T559-L563 PolarHBondContact O-N 3.1Å; V560-L563 PolarHBondContact O-N 3.19Å; L563-K565 PolarHBondContact O-N 2.84Å; L563-F566 PolarHBondContact O-N 3.45Å; L563-V567 HydrophobicContact CD1-CG2 3.79Å; L563-V567 HydrophobicContact CG-CG2 4.39Å; L563-V567 WeakPolarHBondContact O-CB 3.46Å; L563-V567 WeakPolarHBondContact O-CG2 3.45Å; L563-V567 PolarHBondContact O-N 3.3Å
564V98.9Very high98.6Very high4 Ų427.5 Ų27.52%0.02414%0.144CC..Hα-helixtrans-58.8-47179.4165.30000111V513 K514 L517 V560 G561 F566 V567 T568V513-V564 HydrophobicContact CG1-CB 4.41Å; V513-V564 HydrophobicContact CG1-CG1 4.16Å; V513-V564 HydrophobicContact CG1-CG2 4.48Å; K514-V564 HydrophobicContact CB-CG1 3.79Å; K514-V564 HydrophobicContact CB-CG2 4.46Å; K514-V564 HydrophobicContact CG-CG1 4.41Å; L517-V564 HydrophobicContact CB-CG2 4.23Å; L517-V564 HydrophobicContact CD1-CG2 4.36Å; V560-V564 HydrophobicContact CG1-CG2 4.21Å; V560-V564 WeakPolarHBondContact O-CB 3.29Å; V560-V564 VanDerWaalsContact O-CG2 3.26Å; V560-V564 WeakPolarHBondContact O-CG2 3.36Å; V560-V564 PolarHBondContact O-N 3.01Å; G561-V564 PolarHBondContact O-N 3.44Å; V564-F566 VanDerWaalsContact C-N 3.34Å; V564-F566 PolarHBondContact O-N 2.75Å; V564-V567 PolarHBondContact O-N 2.93Å; V564-T568 WeakPolarHBondContact O-CB 3.4Å; V564-T568 PolarHBondContact O-N 3.37Å; V564-T568 PolarHBondContact O-OG1 3.1Å
565K98.9Very high98.6Very high65 Ų6526.2 Ų26.228%0.28314%0.136SC..Hα-helixtrans-61.4-43.8177.9-175.8177.9176.9171.70111.5D483 G561 E562 L563 T568 M569D483-K565 IonicContact OD1-NZ 2.71Å; D483-K565 VanDerWaalsContact OD2-CE 3.23Å; D483-K565 WeakPolarHBondContact OD2-CE 2.89Å; D483-K565 IonicContact OD2-NZ 2.69Å; D483-K565 PolarHBondContact OD2-NZ 3.43Å; G561-K565 WeakPolarHBondContact O-CB 3.27Å; G561-K565 PolarHBondContact O-N 3.3Å; E562-K565 PolarHBondContact O-N 2.88Å; L563-K565 PolarHBondContact O-N 2.84Å; K565-T568 WeakPolarHBondContact O-CB 3.31Å; K565-T568 PolarHBondContact O-N 3.19Å; K565-M569 PolarHBondContact O-N 3.5Å
566F98.9Very high98.7Very high0 Ų021 Ų210%011%0.113CC..Hα-helixtrans-67.5-43.1-178.4-170.8-87.8000112.2Y476 W536 I537 I540 I553 P554 F557 E562 L563 V564 T568 M569 V570Y476-F566 HydrophobicContact CD2-CD2 4.49Å; Y476-F566 AromaticContact CE2-CD2 3.72Å; Y476-F566 HydrophobicContact CE2-CD2 3.72Å; Y476-F566 HydrophobicContact CE2-CE2 4.28Å; Y476-F566 AromaticContact CZ-CD2 3.88Å; Y476-F566 VanDerWaalsContact OH-CA 3.25Å; Y476-F566 WeakPolarHBondContact OH-CA 3.39Å; Y476-F566 PolarHBondContact OH-N 2.79Å; W536-F566 AromaticContact CH2-CD1 3.61Å; W536-F566 HydrophobicContact CH2-CD1 3.61Å; W536-F566 AromaticContact CH2-CE1 3.55Å; W536-F566 HydrophobicContact CH2-CE1 3.55Å; W536-F566 HydrophobicContact CZ2-CE1 4.13Å; W536-F566 AromaticContact CZ3-CD1 3.86Å; W536-F566 HydrophobicContact CZ3-CD1 3.86Å; W536-F566 AromaticContact CZ3-CE1 3.94Å; W536-F566 HydrophobicContact CZ3-CE1 3.94Å; I537-F566 HydrophobicContact CD1-CD2 4.3Å; I537-F566 HydrophobicContact CD1-CE1 3.92Å; I537-F566 HydrophobicContact CD1-CE2 3.64Å; I537-F566 HydrophobicContact CD1-CZ 3.42Å; I537-F566 VanDerWaalsContact CD1-CZ 3.42Å; I540-F566 HydrophobicContact CD1-CE1 3.89Å; I540-F566 HydrophobicContact CD1-CZ 4.03Å; I540-F566 HydrophobicContact CG2-CZ 4.19Å; I553-F566 HydrophobicContact CD1-CE2 4.3Å; I553-F566 HydrophobicContact CG2-CE2 4.5Å; P554-F566 HydrophobicContact CG-CD2 3.68Å; P554-F566 HydrophobicContact CG-CE2 3.96Å; F557-F566 HydrophobicContact CE1-CB 3.58Å; F557-F566 HydrophobicContact CE1-CD1 4.33Å; F557-F566 HydrophobicContact CE1-CD2 4.14Å; F557-F566 AromaticContact CE1-CG 3.76Å; F557-F566 HydrophobicContact CE1-CG 3.76Å; F557-F566 HydrophobicContact CE2-CD1 4.48Å; F557-F566 HydrophobicContact CZ-CB 3.66Å; F557-F566 AromaticContact CZ-CD1 3.57Å; F557-F566 HydrophobicContact CZ-CD1 3.57Å; F557-F566 HydrophobicContact CZ-CD2 4.03Å; F557-F566 HydrophobicContact CZ-CE1 4.2Å; F557-F566 AromaticContact CZ-CG 3.47Å; F557-F566 HydrophobicContact CZ-CG 3.47Å; F557-F566 VanDerWaalsContact CZ-CG 3.47Å; E562-F566 WeakPolarHBondContact O-CB 3.4Å; E562-F566 PolarHBondContact O-N 3.19Å; L563-F566 PolarHBondContact O-N 3.45Å; V564-F566 VanDerWaalsContact C-N 3.34Å; V564-F566 PolarHBondContact O-N 2.75Å; F566-T568 VanDerWaalsContact C-N 3.31Å; F566-T568 PolarHBondContact O-N 3.1Å; F566-M569 HydrophobicContact CD2-CE 3.89Å; F566-M569 HydrophobicContact CE1-CE 4.29Å; F566-M569 HydrophobicContact CE2-CE 3.57Å; F566-M569 HydrophobicContact CG-CE 4.37Å; F566-M569 HydrophobicContact CZ-CE 3.79Å; F566-M569 WeakPolarHBondContact O-CB 3.43Å; F566-M569 PolarHBondContact O-N 3.41Å; F566-V570 HydrophobicContact CD1-CG2 4Å; F566-V570 HydrophobicContact CE1-CG2 3.69Å; F566-V570 HydrophobicContact CZ-CG2 4.42Å; F566-V570 WeakPolarHBondContact O-CG2 3.19Å; F566-V570 PolarHBondContact O-N 3.32Å
567V98.9Very high98.8Very high0 Ų017 Ų170%010%0.099CC..Hα-helixtrans-66.7-35.2176.9173.60000111.2L423 L426 L427 V513 L517 W536 L563 V564 M569 V570 I571L423-V567 HydrophobicContact CD1-CG1 4.24Å; L423-V567 HydrophobicContact CD1-CG2 3.55Å; L426-V567 HydrophobicContact CD2-CG1 3.8Å; L427-V567 HydrophobicContact CD2-CG1 4.01Å; L427-V567 HydrophobicContact CG-CG1 4.48Å; V513-V567 HydrophobicContact CG1-CB 3.77Å; V513-V567 HydrophobicContact CG1-CG1 3.63Å; V513-V567 HydrophobicContact CG2-CG1 4.02Å; L517-V567 HydrophobicContact CD1-CB 4.18Å; L517-V567 HydrophobicContact CD1-CG1 4.29Å; L517-V567 HydrophobicContact CD1-CG2 4.04Å; W536-V567 HydrophobicContact CH2-CG2 4.16Å; W536-V567 HydrophobicContact CZ3-CG2 4.43Å; L563-V567 HydrophobicContact CD1-CG2 3.79Å; L563-V567 HydrophobicContact CG-CG2 4.39Å; L563-V567 WeakPolarHBondContact O-CB 3.46Å; L563-V567 WeakPolarHBondContact O-CG2 3.45Å; L563-V567 PolarHBondContact O-N 3.3Å; V564-V567 PolarHBondContact O-N 2.93Å; V567-M569 VanDerWaalsContact C-N 3.35Å; V567-V570 PolarHBondContact O-N 2.63Å; V567-I571 HydrophobicContact CG1-CD1 4.22Å; V567-I571 WeakPolarHBondContact O-CG1 3.42Å; V567-I571 PolarHBondContact O-N 2.95Å
568T99Very high98.8Very high0 Ų017.2 Ų17.20%010%0.1CC..Hα-helixtrans-58.6-47.5170.5-56.70000110.8W506 I509 H510 V564 K565 F566 V570 I571 F572W506-T568 HydrophobicContact CD2-CG2 3.85Å; W506-T568 HydrophobicContact CE3-CG2 4.2Å; W506-T568 HydrophobicContact CG-CG2 4.4Å; W506-T568 HydrophobicContact CH2-CG2 4.09Å; W506-T568 HydrophobicContact CZ2-CG2 3.75Å; W506-T568 HydrophobicContact CZ3-CG2 4.31Å; I509-T568 HydrophobicContact CB-CG2 4.41Å; I509-T568 HydrophobicContact CG2-CG2 3.97Å; H510-T568 WeakPolarHBondContact CA-OG1 3.24Å; H510-T568 HydrophobicContact CB-CG2 3.79Å; V564-T568 WeakPolarHBondContact O-CB 3.4Å; V564-T568 PolarHBondContact O-N 3.37Å; V564-T568 PolarHBondContact O-OG1 3.1Å; K565-T568 WeakPolarHBondContact O-CB 3.31Å; K565-T568 PolarHBondContact O-N 3.19Å; F566-T568 VanDerWaalsContact C-N 3.31Å; F566-T568 PolarHBondContact O-N 3.1Å; T568-V570 PolarHBondContact O-N 2.98Å; T568-I571 PolarHBondContact O-N 3.02Å; T568-F572 VanDerWaalsContact O-CB 3.28Å; T568-F572 WeakPolarHBondContact O-CB 3.36Å; T568-F572 PolarHBondContact O-N 3.45Å
569M98.9Very high98.8Very high0 Ų014.3 Ų14.30%09%0.085CC..Hα-helixtrans-58.7-45176.9179.6-81.3-6500112F409 Y476 L479 W506 K565 F566 V567 F572 T573F409-M569 HydrophobicContact CE1-CE 4.46Å; F409-M569 HydrophobicContact CE2-SD 4.31Å; F409-M569 HydrophobicContact CZ-CE 3.99Å; F409-M569 HydrophobicContact CZ-SD 3.97Å; Y476-M569 HydrophobicContact CD2-CE 4.29Å; Y476-M569 HydrophobicContact CE2-CB 4.31Å; Y476-M569 HydrophobicContact CE2-CE 3.97Å; Y476-M569 HydrophobicContact CE2-CG 4.23Å; L479-M569 HydrophobicContact CB-CG 3.75Å; L479-M569 HydrophobicContact CB-SD 3.91Å; L479-M569 HydrophobicContact CD1-SD 4.17Å; L479-M569 WeakPolarHBondContact O-CG 3.39Å; W506-M569 HydrophobicContact CH2-CB 3.87Å; W506-M569 HydrophobicContact CZ3-CB 4.33Å; K565-M569 PolarHBondContact O-N 3.5Å; F566-M569 HydrophobicContact CD2-CE 3.89Å; F566-M569 HydrophobicContact CE1-CE 4.29Å; F566-M569 HydrophobicContact CE2-CE 3.57Å; F566-M569 HydrophobicContact CG-CE 4.37Å; F566-M569 HydrophobicContact CZ-CE 3.79Å; F566-M569 WeakPolarHBondContact O-CB 3.43Å; F566-M569 PolarHBondContact O-N 3.41Å; V567-M569 VanDerWaalsContact C-N 3.35Å; M569-F572 PolarHBondContact O-N 3.19Å; M569-T573 VanDerWaalsContact O-CB 3.25Å; M569-T573 WeakPolarHBondContact O-CB 3.27Å; M569-T573 PolarHBondContact O-N 3.15Å; M569-T573 PolarHBondContact O-OG1 3.31Å
570V98.9Very high98.8Very high4 Ų412.2 Ų12.22%0.0247%0.072CC..Hα-helixtrans-59.8-51.6177.4170.80000110.9F409 L427 W536 F566 V567 T568 F572 T573 C574F409-V570 HydrophobicContact CB-CG1 4.08Å; F409-V570 HydrophobicContact CD1-CG2 4.2Å; F409-V570 HydrophobicContact CD2-CB 4.24Å; F409-V570 HydrophobicContact CD2-CG1 3.76Å; F409-V570 HydrophobicContact CD2-CG2 4Å; F409-V570 HydrophobicContact CE1-CG2 4.29Å; F409-V570 HydrophobicContact CE2-CB 4.47Å; F409-V570 HydrophobicContact CE2-CG1 4.45Å; F409-V570 HydrophobicContact CE2-CG2 4.08Å; F409-V570 HydrophobicContact CG-CG1 4.04Å; F409-V570 HydrophobicContact CG-CG2 4.06Å; F409-V570 HydrophobicContact CZ-CG2 4.24Å; L427-V570 HydrophobicContact CD1-CG1 4.42Å; L427-V570 HydrophobicContact CD2-CB 4.43Å; L427-V570 HydrophobicContact CD2-CG1 3.82Å; W536-V570 HydrophobicContact CH2-CG2 4.44Å; W536-V570 HydrophobicContact CZ2-CG2 4.46Å; F566-V570 HydrophobicContact CD1-CG2 4Å; F566-V570 HydrophobicContact CE1-CG2 3.69Å; F566-V570 HydrophobicContact CZ-CG2 4.42Å; F566-V570 WeakPolarHBondContact O-CG2 3.19Å; F566-V570 PolarHBondContact O-N 3.32Å; V567-V570 PolarHBondContact O-N 2.63Å; T568-V570 PolarHBondContact O-N 2.98Å; V570-F572 PolarHBondContact O-N 2.72Å; V570-T573 PolarHBondContact O-N 3.31Å; V570-C574 PolarHBondContact O-N 3.04Å; V570-C574 PolarHBondContact O-SG 3.07Å; V570-C574 VanDerWaalsContact O-SG 3.37Å
571I98.9Very high98.8Very high0 Ų011.7 Ų11.70%07%0.069CC..Hα-helixtrans-62-46.5-179.8-66.6177.6000110.5L426 L427 I509 V513 V567 T568 T573 C574 S575L426-I571 HydrophobicContact CD1-CD1 4.4Å; L426-I571 HydrophobicContact CG-CD1 4.39Å; L427-I571 HydrophobicContact CD2-CD1 4.19Å; L427-I571 HydrophobicContact CD2-CG1 3.68Å; I509-I571 HydrophobicContact CD1-CG2 4.3Å; I509-I571 HydrophobicContact CG1-CG2 4.41Å; I509-I571 HydrophobicContact CG2-CB 3.88Å; I509-I571 HydrophobicContact CG2-CG2 3.68Å; V513-I571 HydrophobicContact CG2-CD1 3.63Å; V567-I571 HydrophobicContact CG1-CD1 4.22Å; V567-I571 WeakPolarHBondContact O-CG1 3.42Å; V567-I571 PolarHBondContact O-N 2.95Å; T568-I571 PolarHBondContact O-N 3.02Å; I571-T573 VanDerWaalsContact C-N 3.33Å; I571-T573 PolarHBondContact O-N 3.01Å; I571-C574 PolarHBondContact O-N 3.46Å; I571-S575 WeakPolarHBondContact O-CB 3.23Å; I571-S575 PolarHBondContact O-N 3.42Å; I571-S575 VanDerWaalsContact O-N 3.09Å; I571-S575 PolarHBondContact O-OG 3.28Å
572F98.9Very high98.8Very high2 Ų29.8 Ų9.81%0.0095%0.047CC..Hα-helixtrans-60.3-42.4178.9-172-86.2000111.8L481 G502 L505 W506 I509 T568 M569 V570 S575 A576 Q577L481-F572 HydrophobicContact CB-CE1 4.13Å; L481-F572 HydrophobicContact CB-CZ 4.16Å; L481-F572 HydrophobicContact CD2-CE1 4.43Å; L481-F572 HydrophobicContact CD2-CE2 4.17Å; L481-F572 HydrophobicContact CD2-CZ 3.7Å; L481-F572 HydrophobicContact CG-CZ 4.42Å; G502-F572 WeakPolarHBondContact O-CE2 3.46Å; L505-F572 HydrophobicContact CB-CE2 4.26Å; W506-F572 HydrophobicContact CB-CD2 4.23Å; W506-F572 HydrophobicContact CB-CE2 4.25Å; W506-F572 HydrophobicContact CE3-CB 3.91Å; W506-F572 HydrophobicContact CE3-CD1 4.15Å; W506-F572 AromaticContact CE3-CD2 3.82Å; W506-F572 HydrophobicContact CE3-CD2 3.82Å; W506-F572 HydrophobicContact CE3-CE2 4.44Å; W506-F572 AromaticContact CE3-CG 3.68Å; W506-F572 HydrophobicContact CE3-CG 3.68Å; W506-F572 HydrophobicContact CZ3-CB 3.97Å; W506-F572 HydrophobicContact CZ3-CD1 4.34Å; W506-F572 HydrophobicContact CZ3-CG 4.07Å; I509-F572 HydrophobicContact CD1-CB 4.37Å; I509-F572 HydrophobicContact CD1-CD2 3.99Å; T568-F572 VanDerWaalsContact O-CB 3.28Å; T568-F572 WeakPolarHBondContact O-CB 3.36Å; T568-F572 PolarHBondContact O-N 3.45Å; M569-F572 PolarHBondContact O-N 3.19Å; V570-F572 PolarHBondContact O-N 2.72Å; F572-S575 CarbonylContact O-C 3.57Å; F572-S575 PolarHBondContact O-N 2.97Å; F572-A576 HydrophobicContact CD1-CB 4.49Å; F572-A576 HydrophobicContact CD2-CB 3.71Å; F572-A576 HydrophobicContact CE1-CB 4.3Å; F572-A576 HydrophobicContact CE2-CB 3.49Å; F572-A576 VanDerWaalsContact CE2-CB 3.49Å; F572-A576 HydrophobicContact CG-CB 4.19Å; F572-A576 HydrophobicContact CZ-CB 3.78Å; F572-A576 PolarHBondContact O-N 2.89Å; F572-A576 VanDerWaalsContact O-N 3.09Å; F572-Q577 HydrophobicContact CD1-CB 3.95Å; F572-Q577 HydrophobicContact CE1-CB 3.82Å; F572-Q577 PolarHBondContact O-N 2.95Å
573T98.9Very high98.6Very high3 Ų37.3 Ų7.32%0.0184%0.04CC..Iπ-helixtrans-63-46178.7-60.90000111.7R401 F409 M569 V570 I571 S575R401-T573 WeakPolarHBondContact O-CG2 3.38Å; F409-T573 HydrophobicContact CE2-CG2 4.14Å; M569-T573 VanDerWaalsContact O-CB 3.25Å; M569-T573 WeakPolarHBondContact O-CB 3.27Å; M569-T573 PolarHBondContact O-N 3.15Å; M569-T573 PolarHBondContact O-OG1 3.31Å; V570-T573 PolarHBondContact O-N 3.31Å; I571-T573 VanDerWaalsContact C-N 3.33Å; I571-T573 PolarHBondContact O-N 3.01Å; T573-S575 VanDerWaalsContact C-N 3.26Å; T573-S575 PolarHBondContact O-N 3.25Å
574C98.8Very high98.4Very high2 Ų27.3 Ų7.31%0.0144%0.04CC..Iπ-helixtrans-72.6-16-179.4-66.50000114A406 H430 V570 I571 S698 V699A406-C574 VanDerWaalsContact CB-SG 3.55Å; H430-C574 HydrophobicContact CB-CB 4.34Å; H430-C574 WeakPolarHBondContact O-CB 3.4Å; V570-C574 PolarHBondContact O-N 3.04Å; V570-C574 PolarHBondContact O-SG 3.07Å; V570-C574 VanDerWaalsContact O-SG 3.37Å; I571-C574 PolarHBondContact O-N 3.46Å; C574-S698 CarbonylContact O-C 3.38Å; C574-S698 WeakPolarHBondContact O-CA 3.14Å; C574-V699 PolarHBondContact O-N 3.41Å; C574-V699 VanDerWaalsContact O-N 3.16Å
575S98.8Very high98.3Very high1 Ų17.1 Ų7.11%0.0074%0.039CC..Iπ-helixtrans-121-89.6-175.359.80000112I571 F572 T573 Q577 H578 S579 E696I571-S575 WeakPolarHBondContact O-CB 3.23Å; I571-S575 PolarHBondContact O-N 3.42Å; I571-S575 VanDerWaalsContact O-N 3.09Å; I571-S575 PolarHBondContact O-OG 3.28Å; F572-S575 CarbonylContact O-C 3.57Å; F572-S575 PolarHBondContact O-N 2.97Å; T573-S575 VanDerWaalsContact C-N 3.26Å; T573-S575 PolarHBondContact O-N 3.25Å; S575-Q577 PolarHBondContact O-N 3.14Å; S575-H578 PolarHBondContact O-N 2.91Å; S575-S579 PolarHBondContact O-N 3.12Å; S575-E696 VanDerWaalsContact CA-O 3.29Å; S575-E696 WeakPolarHBondContact CA-O 3.41Å; S575-E696 WeakPolarHBondContact CB-O 3.4Å
576A98.8Very high98.2Very high0 Ų04.3 Ų4.30%03%0.027CC..Iπ-helixtrans-57.2-47.4-172.600000113.3L505 F572 H578 S579 A580 L690 V695L505-A576 HydrophobicContact CD1-CB 3.94Å; F572-A576 HydrophobicContact CD1-CB 4.49Å; F572-A576 HydrophobicContact CD2-CB 3.71Å; F572-A576 HydrophobicContact CE1-CB 4.3Å; F572-A576 HydrophobicContact CE2-CB 3.49Å; F572-A576 VanDerWaalsContact CE2-CB 3.49Å; F572-A576 HydrophobicContact CG-CB 4.19Å; F572-A576 HydrophobicContact CZ-CB 3.78Å; F572-A576 PolarHBondContact O-N 2.89Å; F572-A576 VanDerWaalsContact O-N 3.09Å; A576-H578 PolarHBondContact O-N 2.84Å; A576-S579 PolarHBondContact O-N 3.44Å; A576-A580 WeakPolarHBondContact O-CB 3.29Å; A576-A580 PolarHBondContact O-N 2.79Å; A576-L690 HydrophobicContact CB-CD2 3.93Å; A576-L690 VanDerWaalsContact O-CD2 3.23Å; A576-L690 WeakPolarHBondContact O-CD2 3.34Å; A576-V695 HydrophobicContact CB-CG1 4.4Å
577Q98.9Very high98Very high17 Ų175.3 Ų5.38%0.0793%0.032CC..Iπ-helixtrans-63.5-43.6-179.8-175.557.740.600111.6T402 Y498 F572 S575 A580 V581T402-Q577 HydrophobicContact CG2-CG 4.03Å; Y498-Q577 PolarHBondContact OH-OE1 2.88Å; F572-Q577 HydrophobicContact CD1-CB 3.95Å; F572-Q577 HydrophobicContact CE1-CB 3.82Å; F572-Q577 PolarHBondContact O-N 2.95Å; S575-Q577 PolarHBondContact O-N 3.14Å; Q577-A580 PolarHBondContact O-N 2.81Å; Q577-V581 WeakPolarHBondContact O-CG2 3.36Å; Q577-V581 PolarHBondContact O-N 3.27Å
578H98.8Very high97.9Very high7 Ų75.4 Ų5.43%0.0323%0.033CC..Hα-helixtrans-59.8-49.9174.7173.7-114.3000111.3H398 T402 H403 S575 A576 A580 V581 N582 V699H398-H578 AromaticContact NE2-NE2 3.98Å; T402-H578 HydrophobicContact CG2-CB 4.16Å; H403-H578 AromaticContact NE2-CD2 3.96Å; H403-H578 AromaticContact NE2-NE2 3.66Å; S575-H578 PolarHBondContact O-N 2.91Å; A576-H578 PolarHBondContact O-N 2.84Å; H578-A580 VanDerWaalsContact C-N 3.34Å; H578-A580 PolarHBondContact O-N 3.27Å; H578-V581 PolarHBondContact O-N 3.34Å; H578-N582 WeakPolarHBondContact O-CB 3.49Å; H578-N582 PolarHBondContact O-N 2.84Å; H578-V699 HydrophobicContact CB-CG2 3.95Å
579S98.4Very high97.7Very high7 Ų75.5 Ų5.55%0.0493%0.033CC..Hα-helixtrans-57.2-46.1178.6-168.60000112.1S575 A576 V581 N582 A583 Y689 V694S575-S579 PolarHBondContact O-N 3.12Å; A576-S579 PolarHBondContact O-N 3.44Å; S579-V581 VanDerWaalsContact C-N 3.27Å; S579-V581 PolarHBondContact O-N 3.13Å; S579-N582 PolarHBondContact O-N 3.45Å; S579-A583 VanDerWaalsContact O-CB 3.31Å; S579-A583 WeakPolarHBondContact O-CB 3.46Å; S579-A583 PolarHBondContact O-N 3.36Å; S579-Y689 PolarHBondContact OG-O 2.82Å; S579-V694 PolarHBondContact OG-O 2.8Å
580A98.6Very high97.4Very high0 Ų05.6 Ų5.60%03%0.034CC..Hα-helixtrans-58.8-33.5179.900000114.4Y498 A576 Q577 H578 L690Y498-A580 HydrophobicContact CD2-CB 3.87Å; Y498-A580 HydrophobicContact CE2-CB 3.76Å; A576-A580 WeakPolarHBondContact O-CB 3.29Å; A576-A580 PolarHBondContact O-N 2.79Å; Q577-A580 PolarHBondContact O-N 2.81Å; H578-A580 VanDerWaalsContact C-N 3.34Å; H578-A580 PolarHBondContact O-N 3.27Å; A580-L690 HydrophobicContact CB-CD1 4.4Å; A580-L690 HydrophobicContact CB-CD2 3.83Å; A580-L690 HydrophobicContact CB-CG 4.05Å
581V98.4Very high97.2Very high0 Ų05.5 Ų5.50%03%0.034CC..Hα-helixtrans-103.3-6.8-178.4-55.10000113.6H393 H398 T402 Q577 H578 S579H393-V581 PolarHBondContact NE2-O 2.72Å; H398-V581 HydrophobicContact CB-CG2 4.26Å; T402-V581 HydrophobicContact CG2-CG2 4.03Å; Q577-V581 WeakPolarHBondContact O-CG2 3.36Å; Q577-V581 PolarHBondContact O-N 3.27Å; H578-V581 PolarHBondContact O-N 3.34Å; S579-V581 VanDerWaalsContact C-N 3.27Å; S579-V581 PolarHBondContact O-N 3.13Å
582N97.9Very high97Very high10 Ų105.9 Ų5.95%0.0534%0.035CC..Hα-helixtrans-105.3-47.1-179.1-17570.4000112.6H398 H578 S579 G584 Q585 L635 V701H398-N582 PolarHBondContact CE1-OD1 3.17Å; H398-N582 PolarHBondContact NE2-OD1 2.82Å; H578-N582 WeakPolarHBondContact O-CB 3.49Å; H578-N582 PolarHBondContact O-N 2.84Å; S579-N582 PolarHBondContact O-N 3.45Å; N582-G584 VanDerWaalsContact C-N 3.31Å; N582-G584 PolarHBondContact O-N 3.28Å; N582-Q585 WeakPolarHBondContact O-CB 3.31Å; N582-Q585 VanDerWaalsContact O-CG 3.31Å; N582-Q585 WeakPolarHBondContact O-CG 3.38Å; N582-Q585 PolarHBondContact O-N 3.41Å; N582-Q585 PolarHBondContact O-NE2 3.49Å; N582-Q585 PolarHBondContact OD1-NE2 2.98Å; N582-L635 PolarHBondContact ND2-O 2.94Å; N582-L635 PolarHBondContact OD1-O 2.99Å; N582-L635 VanDerWaalsContact OD1-O 3.06Å; N582-V701 WeakPolarHBondContact ND2-CG1 3.3Å
583A94.4Very high96.9Very high31 Ų315.9 Ų5.926%0.2564%0.036SC..THydrogen-bonded Turntrans-65.1-32.2-168.300000113.4S579 Q585 Y689S579-A583 VanDerWaalsContact O-CB 3.31Å; S579-A583 WeakPolarHBondContact O-CB 3.46Å; S579-A583 PolarHBondContact O-N 3.36Å; A583-Q585 VanDerWaalsContact C-N 3.35Å; A583-Q585 PolarHBondContact O-N 3.07Å; A583-Y689 HydrophobicContact CB-CD1 3.72Å; A583-Y689 HydrophobicContact CB-CE1 4.49Å; A583-Y689 HydrophobicContact CB-CG 4.35Å
584G95.8Very high96.8Very high0 Ų05.9 Ų5.90%04%0.035CC..THydrogen-bonded Turntrans-84.73.7179.600000115.4N582 D587 F588 Y689N582-G584 VanDerWaalsContact C-N 3.31Å; N582-G584 PolarHBondContact O-N 3.28Å; G584-D587 PolarHBondContact O-N 3.48Å; G584-F588 WeakPolarHBondContact O-CD2 3.36Å; G584-F588 PolarHBondContact O-N 3.25Å; G584-F588 VanDerWaalsContact O-N 3.14Å; G584-Y689 VanDerWaalsContact CA-CE1 3.42Å; G584-Y689 VanDerWaalsContact CA-CZ 3.43Å
585Q96.8Very high96.7Very high0 Ų05.9 Ų5.90%04%0.035CC..Hα-helixtrans-57.9-55.3-174.5-79.1174.9100.900112.3V275 E394 N582 A583 D587 F588 I589 V632V275-Q585 HydrophobicContact CG2-CG 4.01Å; E394-Q585 PolarHBondContact OE1-OE1 3.47Å; E394-Q585 VanDerWaalsContact OE1-OE1 3.1Å; E394-Q585 PolarHBondContact OE2-OE1 2.96Å; N582-Q585 WeakPolarHBondContact O-CB 3.31Å; N582-Q585 VanDerWaalsContact O-CG 3.31Å; N582-Q585 WeakPolarHBondContact O-CG 3.38Å; N582-Q585 PolarHBondContact O-N 3.41Å; N582-Q585 PolarHBondContact O-NE2 3.49Å; N582-Q585 PolarHBondContact OD1-NE2 2.98Å; A583-Q585 VanDerWaalsContact C-N 3.35Å; A583-Q585 PolarHBondContact O-N 3.07Å; Q585-D587 VanDerWaalsContact C-N 3.31Å; Q585-D587 PolarHBondContact O-N 3.48Å; Q585-F588 PolarHBondContact O-N 3.27Å; Q585-I589 HydrophobicContact CB-CD1 4.1Å; Q585-I589 HydrophobicContact CG-CD1 4.15Å; Q585-I589 WeakPolarHBondContact O-CA 3.33Å; Q585-I589 WeakPolarHBondContact O-CB 3.26Å; Q585-I589 VanDerWaalsContact O-CG1 3.23Å; Q585-I589 WeakPolarHBondContact O-CG1 3.47Å; Q585-I589 PolarHBondContact O-N 3.17Å; Q585-V632 HydrophobicContact CB-CB 4.14Å
586Y95.4Very high96.7Very high7 Ų75.9 Ų5.93%0.0274%0.035CC..Hα-helixtrans-66-35.3-179.2-170.2-93.1000112.5L224 H249 T251 F588 G590 V632 W633 S636L224-Y586 HydrophobicContact CD1-CE2 4.39Å; L224-Y586 HydrophobicContact CD2-CE2 3.75Å; L224-Y586 WeakPolarHBondContact CD2-OH 3.3Å; H249-Y586 WeakPolarHBondContact CB-OH 3.26Å; H249-Y586 AromaticContact CD2-CE1 3.61Å; H249-Y586 AromaticContact CD2-CZ 3.82Å; H249-Y586 PolarHBondContact O-OH 3.08Å; T251-Y586 HydrophobicContact CG2-CD1 4.18Å; Y586-F588 PolarHBondContact O-N 3.18Å; Y586-G590 VanDerWaalsContact O-CA 3.25Å; Y586-G590 WeakPolarHBondContact O-CA 3.5Å; Y586-G590 PolarHBondContact O-N 2.94Å; Y586-V632 HydrophobicContact CD2-CG2 4.1Å; Y586-W633 HydrophobicContact CD1-CE3 4Å; Y586-W633 HydrophobicContact CD1-CZ3 4.28Å; Y586-W633 HydrophobicContact CD2-CB 3.71Å; Y586-W633 HydrophobicContact CD2-CD2 4.44Å; Y586-W633 AromaticContact CD2-CE3 3.78Å; Y586-W633 HydrophobicContact CD2-CE3 3.78Å; Y586-W633 HydrophobicContact CD2-CG 4.47Å; Y586-W633 HydrophobicContact CE1-CE3 4.26Å; Y586-W633 HydrophobicContact CE2-CB 3.97Å; Y586-W633 HydrophobicContact CE2-CE3 4.04Å; Y586-W633 AromaticContact CG-CE3 3.76Å; Y586-W633 HydrophobicContact CG-CE3 3.76Å; Y586-W633 HydrophobicContact CG-CZ3 4.43Å; Y586-S636 WeakPolarHBondContact CB-OG 3.44Å
587D96.2Very high96.6Very high20 Ų206 Ų611%0.1074%0.036CC..Hα-helixtrans-57-48.4178.4-74-23.6000112.5T251 I253 S254 G584 Q585 Y689T251-D587 VanDerWaalsContact CB-OD1 3.32Å; T251-D587 WeakPolarHBondContact CB-OD1 3.27Å; T251-D587 WeakPolarHBondContact CG2-OD1 3.15Å; T251-D587 PolarHBondContact OG1-OD1 2.89Å; I253-D587 HydrophobicContact CB-CB 3.9Å; I253-D587 HydrophobicContact CG2-CB 3.64Å; S254-D587 VanDerWaalsContact CA-O 3.32Å; S254-D587 WeakPolarHBondContact CA-O 3.48Å; S254-D587 WeakPolarHBondContact CB-O 3.25Å; G584-D587 PolarHBondContact O-N 3.48Å; Q585-D587 VanDerWaalsContact C-N 3.31Å; Q585-D587 PolarHBondContact O-N 3.48Å; D587-Y689 WeakPolarHBondContact CB-OH 3.34Å; D587-Y689 WeakPolarHBondContact OD2-CE1 3.45Å; D587-Y689 PolarHBondContact OD2-OH 3.18Å
588F96.5Very high96.6Very high3 Ų35.2 Ų5.21%0.0133%0.033CC..Hα-helixtrans-93.9-28.7-176.1-71.1-84.9000114.3I253 V257 F266 Q270 V275 G584 Q585 Y586 N594 Y689I253-F588 HydrophobicContact CG2-CE2 4.19Å; I253-F588 HydrophobicContact CG2-CZ 4.16Å; V257-F588 HydrophobicContact CG2-CD1 3.78Å; V257-F588 HydrophobicContact CG2-CE1 4.08Å; V257-F588 HydrophobicContact CG2-CG 4.41Å; F266-F588 HydrophobicContact CE2-CE1 4.36Å; F266-F588 HydrophobicContact CZ-CD1 4.35Å; F266-F588 AromaticContact CZ-CE1 3.91Å; F266-F588 HydrophobicContact CZ-CE1 3.91Å; Q270-F588 HydrophobicContact CG-CD1 4.04Å; Q270-F588 HydrophobicContact CG-CE1 3.87Å; V275-F588 HydrophobicContact CB-CB 4.49Å; V275-F588 HydrophobicContact CB-CD2 4.25Å; V275-F588 HydrophobicContact CG1-CB 4.45Å; G584-F588 WeakPolarHBondContact O-CD2 3.36Å; G584-F588 PolarHBondContact O-N 3.25Å; G584-F588 VanDerWaalsContact O-N 3.14Å; Q585-F588 PolarHBondContact O-N 3.27Å; Y586-F588 PolarHBondContact O-N 3.18Å; F588-N594 PolarHBondContact O-ND2 3.11Å; F588-Y689 AromaticContact CE2-CE2 3.77Å; F588-Y689 HydrophobicContact CE2-CE2 3.77Å; F588-Y689 AromaticContact CE2-CZ 3.93Å; F588-Y689 VanDerWaalsContact CE2-OH 3.25Å; F588-Y689 WeakPolarHBondContact CE2-OH 3.26Å
589I95.3Very high96.6Very high2 Ų24.9 Ų4.91%0.013%0.031CC..Hα-helixtrans-98.5-22.7-173.6-50.8166.6000111.3F390 Q585 W591 C595 V632F390-I589 HydrophobicContact CD2-CD1 4.06Å; F390-I589 HydrophobicContact CD2-CG1 4.45Å; F390-I589 HydrophobicContact CD2-CG2 4.1Å; F390-I589 HydrophobicContact CE2-CD1 4.01Å; F390-I589 HydrophobicContact CE2-CG2 3.94Å; Q585-I589 HydrophobicContact CB-CD1 4.1Å; Q585-I589 HydrophobicContact CG-CD1 4.15Å; Q585-I589 WeakPolarHBondContact O-CA 3.33Å; Q585-I589 WeakPolarHBondContact O-CB 3.26Å; Q585-I589 VanDerWaalsContact O-CG1 3.23Å; Q585-I589 WeakPolarHBondContact O-CG1 3.47Å; Q585-I589 PolarHBondContact O-N 3.17Å; I589-W591 CarbonylContact O-C 3.59Å; I589-W591 PolarHBondContact O-N 3.3Å; I589-W591 VanDerWaalsContact O-N 3.09Å; I589-C595 HydrophobicContact CB-CB 4.3Å; I589-C595 HydrophobicContact CG1-CB 4.02Å; I589-C595 HydrophobicContact CG2-CB 4.29Å; I589-V632 HydrophobicContact CB-CG1 4.24Å; I589-V632 HydrophobicContact CB-CG2 4.24Å; I589-V632 HydrophobicContact CD1-CG1 4.02Å; I589-V632 HydrophobicContact CG2-CG1 3.94Å; I589-V632 HydrophobicContact CG2-CG2 4.25Å
590G92.6Very high96.6Very high2 Ų25.1 Ų5.12%0.0213%0.031CC..SBendtrans-58.7-23.5176.300000113.6Y586 M629Y586-G590 VanDerWaalsContact O-CA 3.25Å; Y586-G590 WeakPolarHBondContact O-CA 3.5Å; Y586-G590 PolarHBondContact O-N 2.94Å; G590-M629 WeakPolarHBondContact O-CE 3.35Å
591W95.1Very high96.6Very high2 Ų29.6 Ų9.61%0.0085%0.048CC..SBendtrans-96.792.2165.1-178.2-121.5000110.8I239 I242 H246 V257 Y258 W261 I589 P593 N594I239-W591 HydrophobicContact CG2-CH2 4.33Å; I239-W591 HydrophobicContact CG2-CZ2 4.2Å; I242-W591 HydrophobicContact CB-CH2 4.01Å; I242-W591 HydrophobicContact CB-CZ3 4.15Å; I242-W591 HydrophobicContact CG2-CE3 4.36Å; I242-W591 HydrophobicContact CG2-CH2 3.87Å; I242-W591 HydrophobicContact CG2-CZ3 3.64Å; H246-W591 HydrophobicContact CB-CE3 3.85Å; H246-W591 HydrophobicContact CB-CZ3 3.98Å; V257-W591 HydrophobicContact CG1-CB 3.99Å; V257-W591 HydrophobicContact CG1-CG 4.43Å; Y258-W591 AromaticContact CD2-CD2 3.91Å; Y258-W591 HydrophobicContact CD2-CD2 3.91Å; Y258-W591 AromaticContact CD2-CE2 3.67Å; Y258-W591 AromaticContact CD2-CE3 3.98Å; Y258-W591 HydrophobicContact CD2-CE3 3.98Å; Y258-W591 AromaticContact CD2-CH2 3.63Å; Y258-W591 HydrophobicContact CD2-CH2 3.63Å; Y258-W591 AromaticContact CD2-CZ2 3.54Å; Y258-W591 HydrophobicContact CD2-CZ2 3.54Å; Y258-W591 AromaticContact CD2-CZ3 3.85Å; Y258-W591 HydrophobicContact CD2-CZ3 3.85Å; Y258-W591 AromaticContact CE2-CH2 3.75Å; Y258-W591 HydrophobicContact CE2-CH2 3.75Å; Y258-W591 AromaticContact CE2-CZ2 3.85Å; Y258-W591 HydrophobicContact CE2-CZ2 3.85Å; Y258-W591 HydrophobicContact CE2-CZ3 4.25Å; W261-W591 AromaticContact CD1-CD1 3.93Å; W261-W591 AromaticContact CD1-NE1 3.16Å; W261-W591 AromaticContact CD2-NE1 3.75Å; W261-W591 AromaticContact CE2-NE1 3.77Å; W261-W591 AromaticContact CG-CD1 3.87Å; W261-W591 AromaticContact CG-NE1 3.37Å; W261-W591 AromaticContact NE1-NE1 3.37Å; I589-W591 CarbonylContact O-C 3.59Å; I589-W591 PolarHBondContact O-N 3.3Å; I589-W591 VanDerWaalsContact O-N 3.09Å; W591-P593 VanDerWaalsContact C-CD 3.49Å; W591-P593 HydrophobicContact CD2-CG 4.21Å; W591-P593 HydrophobicContact CH2-CG 4.14Å; W591-P593 HydrophobicContact CZ2-CB 4.19Å; W591-P593 HydrophobicContact CZ2-CG 3.61Å; W591-P593 VanDerWaalsContact O-N 3.16Å; W591-N594 WeakPolarHBondContact O-CB 3.36Å; W591-N594 PolarHBondContact O-N 3.04Å
592M94.9Very high96.5Very high8 Ų813 Ų134%0.0397%0.071CC..G310 helixtrans-49.6-42-174174.8-78.9-73.200115I242 N594 C595 P596 L619 P620 T625I242-M592 HydrophobicContact CD1-CE 4.05Å; I242-M592 HydrophobicContact CG2-CE 4.33Å; M592-N594 PolarHBondContact O-N 3.12Å; M592-N594 VanDerWaalsContact O-N 3.13Å; M592-C595 CarbonylContact O-C 3.55Å; M592-C595 VanDerWaalsContact O-C 3.23Å; M592-C595 PolarHBondContact O-N 2.79Å; M592-P596 HydrophobicContact CG-CB 4.31Å; M592-P596 WeakPolarHBondContact O-CA 3.3Å; M592-P596 VanDerWaalsContact O-CD 3.25Å; M592-P596 WeakPolarHBondContact O-CD 3.31Å; M592-P596 HydrophobicContact SD-CB 4.04Å; M592-L619 HydrophobicContact CE-CB 3.99Å; M592-L619 HydrophobicContact CE-CD1 4.04Å; M592-L619 HydrophobicContact CE-CG 4.4Å; M592-L619 HydrophobicContact SD-CB 4.15Å; M592-L619 HydrophobicContact SD-CD1 4.2Å; M592-L619 HydrophobicContact SD-CD2 3.75Å; M592-L619 HydrophobicContact SD-CG 4.23Å; M592-P620 HydrophobicContact CE-CG 4.11Å; M592-P620 HydrophobicContact CG-CG 3.82Å; M592-P620 VanDerWaalsContact SD-CD 3.58Å; M592-P620 HydrophobicContact SD-CG 3.76Å; M592-T625 HydrophobicContact CB-CG2 3.71Å; M592-T625 HydrophobicContact CE-CG2 4.34Å; M592-T625 HydrophobicContact CG-CG2 3.96Å
593P96.1Very high96.5Very high2 Ų213.6 Ų13.61%0.0138%0.075CC..G310 helixtrans-59.2-25.3177.3-2837.5000114.7I242 W261 W591 L619I242-P593 HydrophobicContact CD1-CG 3.99Å; I242-P593 HydrophobicContact CG2-CG 4.17Å; W261-P593 HydrophobicContact CD2-CB 4.06Å; W261-P593 HydrophobicContact CE3-CB 3.89Å; W261-P593 HydrophobicContact CH2-CB 3.71Å; W261-P593 HydrophobicContact CZ2-CB 3.9Å; W261-P593 HydrophobicContact CZ3-CB 3.71Å; W591-P593 VanDerWaalsContact C-CD 3.49Å; W591-P593 HydrophobicContact CD2-CG 4.21Å; W591-P593 HydrophobicContact CH2-CG 4.14Å; W591-P593 HydrophobicContact CZ2-CB 4.19Å; W591-P593 HydrophobicContact CZ2-CG 3.61Å; W591-P593 VanDerWaalsContact O-N 3.16Å; P593-L619 HydrophobicContact CG-CD1 4.41Å
594N97.6Very high96.6Very high3 Ų313.1 Ų13.12%0.0167%0.069CC..G310 helixtrans-78.4-32.1174.1-17971.1000113.2V257 W261 Q270 K386 F588 W591 M592V257-N594 HydrophobicContact CG1-CB 3.58Å; W261-N594 HydrophobicContact CB-CB 3.86Å; Q270-N594 PolarHBondContact NE2-OD1 2.88Å; Q270-N594 PolarHBondContact OE1-ND2 2.78Å; Q270-N594 PolarHBondContact OE1-OD1 2.89Å; K386-N594 WeakPolarHBondContact CB-O 3.36Å; K386-N594 WeakPolarHBondContact CE-O 3.21Å; K386-N594 WeakPolarHBondContact CG-O 3.32Å; F588-N594 PolarHBondContact O-ND2 3.11Å; W591-N594 WeakPolarHBondContact O-CB 3.36Å; W591-N594 PolarHBondContact O-N 3.04Å; M592-N594 PolarHBondContact O-N 3.12Å; M592-N594 VanDerWaalsContact O-N 3.13Å
595C96.3Very high96.6Very high2 Ų215.6 Ų15.61%0.0149%0.086CC..SBendtrans-148.270.6-176.8-151.60000111.4I589 M592 A597I589-C595 HydrophobicContact CB-CB 4.3Å; I589-C595 HydrophobicContact CG1-CB 4.02Å; I589-C595 HydrophobicContact CG2-CB 4.29Å; M592-C595 CarbonylContact O-C 3.55Å; M592-C595 VanDerWaalsContact O-C 3.23Å; M592-C595 PolarHBondContact O-N 2.79Å; C595-A597 PolarHBondContact O-N 2.94Å
596P97.8Very high96.6Very high0 Ų021.3 Ų21.30%011%0.111CC..  trans-72.9124.2-175.327.3-32.5000110.7T383 N387 M592 T598 L599 L619T383-P596 HydrophobicContact CG2-CG 3.8Å; N387-P596 WeakPolarHBondContact CA-O 3.35Å; N387-P596 HydrophobicContact CB-CG 4.22Å; N387-P596 PolarHBondContact ND2-O 2.73Å; M592-P596 HydrophobicContact CG-CB 4.31Å; M592-P596 WeakPolarHBondContact O-CA 3.3Å; M592-P596 VanDerWaalsContact O-CD 3.25Å; M592-P596 WeakPolarHBondContact O-CD 3.31Å; M592-P596 HydrophobicContact SD-CB 4.04Å; P596-T598 VanDerWaalsContact C-N 3.26Å; P596-T598 PolarHBondContact O-N 3.35Å; P596-L599 HydrophobicContact CB-CD2 4.01Å; P596-L599 HydrophobicContact CG-CD2 3.85Å; P596-L619 HydrophobicContact CB-CD2 4.31Å; P596-L619 HydrophobicContact CG-CD2 4.46Å
597A97.9Very high96.7Very high3 Ų324.4 Ų24.43%0.02513%0.125CC..SBendtrans-66.5-27.8-179.800000113.8N387 F390 N391 F455 S457 C595 S628N387-A597 VanDerWaalsContact ND2-C 3.33Å; N387-A597 PolarHBondContact ND2-O 3.42Å; F390-A597 VanDerWaalsContact CD1-CA 3.5Å; F390-A597 HydrophobicContact CD1-CB 3.86Å; F390-A597 HydrophobicContact CD2-CB 4.45Å; F390-A597 HydrophobicContact CE1-CB 3.47Å; F390-A597 VanDerWaalsContact CE1-CB 3.47Å; F390-A597 HydrophobicContact CE2-CB 4.12Å; F390-A597 HydrophobicContact CG-CB 4.35Å; F390-A597 HydrophobicContact CZ-CB 3.64Å; N391-A597 PolarHBondContact ND2-O 3.2Å; F455-A597 HydrophobicContact CD2-CB 3.56Å; F455-A597 HydrophobicContact CE2-CB 3.86Å; S457-A597 PolarHBondContact N-O 2.94Å; C595-A597 PolarHBondContact O-N 2.94Å; A597-S628 WeakPolarHBondContact CB-OG 3.15Å
598T98.6Very high96.7Very high0 Ų026.5 Ų26.50%015%0.151CC..  trans-141.8160.9174.6-1670000112.9I330 Q335 N387 F455 S457 P596 P620 I624I330-T598 HydrophobicContact CD1-CG2 4.3Å; Q335-T598 WeakPolarHBondContact CB-OG1 3.44Å; Q335-T598 WeakPolarHBondContact CG-OG1 3.22Å; Q335-T598 VanDerWaalsContact OE1-CG2 3.27Å; Q335-T598 PolarHBondContact OE1-OG1 3.42Å; N387-T598 WeakPolarHBondContact ND2-CA 3.18Å; N387-T598 PolarHBondContact ND2-N 2.82Å; F455-T598 VanDerWaalsContact O-CB 3.27Å; F455-T598 WeakPolarHBondContact O-CB 3.41Å; F455-T598 VanDerWaalsContact O-CG2 3.28Å; F455-T598 WeakPolarHBondContact O-CG2 3.41Å; S457-T598 WeakPolarHBondContact OG-CA 3.39Å; S457-T598 PolarHBondContact OG-OG1 2.85Å; P596-T598 VanDerWaalsContact C-N 3.26Å; P596-T598 PolarHBondContact O-N 3.35Å; T598-P620 HydrophobicContact CG2-CB 3.83Å; T598-P620 WeakPolarHBondContact O-CD 3.46Å; T598-I624 HydrophobicContact CG2-CG2 3.61Å
599L98.6Very high96.7Very high0 Ų032.1 Ų32.10%018%0.177CC..BIsolated β-bridgetrans-131.7139.3173.9-60.8174.4000110.1Q335 Y336 T383 F384 N387 S457 P596 T618 L619Q335-L599 CarbonylContact C-O 3.5Å; Q335-L599 WeakPolarHBondContact CA-O 3.26Å; Y336-L599 PolarHBondContact N-O 3.34Å; T383-L599 HydrophobicContact CG2-CD2 3.92Å; F384-L599 HydrophobicContact CB-CD1 4.44Å; F384-L599 HydrophobicContact CD1-CD1 3.32Å; F384-L599 HydrophobicContact CD2-CD1 4.25Å; F384-L599 HydrophobicContact CE1-CB 4.34Å; F384-L599 HydrophobicContact CE1-CD1 3.39Å; F384-L599 HydrophobicContact CE2-CD1 4.29Å; F384-L599 HydrophobicContact CG-CD1 3.77Å; F384-L599 HydrophobicContact CZ-CD1 3.88Å; N387-L599 HydrophobicContact CB-CD1 3.55Å; N387-L599 HydrophobicContact CB-CG 3.9Å; S457-L599 PolarHBondContact OG-N 3.31Å; P596-L599 HydrophobicContact CB-CD2 4.01Å; P596-L599 HydrophobicContact CG-CD2 3.85Å; L599-T618 CarbonylContact C-O 3.52Å; L599-T618 WeakPolarHBondContact CA-O 3.48Å; L599-T618 HydrophobicContact CB-CG2 4.1Å; L599-T618 HydrophobicContact CD2-CG2 4.1Å; L599-T618 HydrophobicContact CG-CG2 4.49Å; L599-L619 HydrophobicContact CD2-CD2 4.34Å
600E97.9Very high96.8Very high12 Ų1232.6 Ų32.66%0.05618%0.182CC..SBendtrans-105.95.1-169.8-70.5-174.9-151.400114.2K235 K333 T618 P620 S621K235-E600 WeakPolarHBondContact CE-OE2 3.5Å; K235-E600 IonicContact NZ-OE1 2.7Å; K235-E600 IonicContact NZ-OE2 3.34Å; K235-E600 PolarHBondContact NZ-OE2 3.47Å; K333-E600 HydrophobicContact CD-CG 4.35Å; K333-E600 WeakPolarHBondContact CD-OE2 3.36Å; K333-E600 WeakPolarHBondContact CE-OE2 3.43Å; K333-E600 IonicContact NZ-OE2 3.43Å; K333-E600 PolarHBondContact NZ-OE2 3.01Å; E600-T618 PolarHBondContact N-O 3.48Å; E600-P620 WeakPolarHBondContact OE1-CA 3.23Å; E600-S621 PolarHBondContact OE1-N 3.23Å
601R97.8Very high97Very high94 Ų9435.6 Ų35.636%0.35520%0.2SC..SBendtrans-132153.4171.6-74-168.9167.1170.37.8110.6Y336 F384 D617 T618Y336-R601 WeakPolarHBondContact CB-O 3.45Å; Y336-R601 WeakPolarHBondContact CD2-O 3.43Å; Y336-R601 VanDerWaalsContact CG-C 3.45Å; F384-R601 WeakPolarHBondContact CZ-O 3.47Å; R601-D617 IonicContact CZ-OD2 2.69Å; R601-D617 VanDerWaalsContact NH1-CB 3.32Å; R601-D617 IonicContact NH1-OD2 3.33Å; R601-D617 PolarHBondContact NH1-OD2 2.85Å; R601-D617 VanDerWaalsContact NH2-CB 3.31Å; R601-D617 IonicContact NH2-OD2 3.53Å; R601-D617 PolarHBondContact NH2-OD2 3Å; R601-T618 HydrophobicContact CB-CG2 4.04Å
602P97.9Very high97Very high72 Ų7239.1 Ų39.147%0.46822%0.216SC..PPolyproline II helixtrans-65.3158.5176.728-34.8000111.8Y336Y336-P602 VanDerWaalsContact CD1-CA 3.43Å; Y336-P602 HydrophobicContact CD1-CB 3.75Å; Y336-P602 HydrophobicContact CE1-CB 3.63Å; Y336-P602 HydrophobicContact CE1-CG 4.22Å; Y336-P602 HydrophobicContact CG-CB 4.43Å
603P97.4Very high97Very high22 Ų2245.6 Ų45.614%0.14324%0.244CC..PPolyproline II helixtrans-51.1141.2169.3-25.533.8000111.9A338 L358 F384 S605A338-P603 HydrophobicContact CB-CG 4.21Å; L358-P603 HydrophobicContact CB-CB 4.24Å; L358-P603 HydrophobicContact CD1-CB 3.97Å; F384-P603 HydrophobicContact CD1-CB 4.37Å; F384-P603 HydrophobicContact CD1-CG 3.94Å; F384-P603 HydrophobicContact CE1-CB 4.14Å; F384-P603 HydrophobicContact CE1-CG 3.64Å; F384-P603 VanDerWaalsContact CZ-CA 3.41Å; F384-P603 HydrophobicContact CZ-CB 4.25Å; F384-P603 HydrophobicContact CZ-CG 4.17Å; P603-S605 PolarHBondContact O-N 3.29Å
604P96.9Very high97.1Very high22 Ų2247.2 Ų47.214%0.14325%0.254CS..PPolyproline II helixtrans-58.1130.217624-34.7000110.9L358 F369 L380L358-P604 HydrophobicContact CD1-CG 3.75Å; F369-P604 HydrophobicContact CE1-CB 4.49Å; F369-P604 HydrophobicContact CE1-CG 4.18Å; F369-P604 HydrophobicContact CE2-CG 4.13Å; F369-P604 HydrophobicContact CZ-CB 3.93Å; F369-P604 HydrophobicContact CZ-CG 3.53Å; L380-P604 HydrophobicContact CD2-CB 4.17Å; L380-P604 HydrophobicContact CD2-CG 3.92Å; L380-P604 HydrophobicContact CG-CG 4.25Å
605S96Very high97Very high51 Ų5147.1 Ų47.136%0.35725%0.254SS..SBendtrans-92.9-9.7178.6540000113.6D365 P367 P603D365-S605 CarbonylContact C-O 3.57Å; D365-S605 WeakPolarHBondContact CA-O 3.13Å; D365-S605 WeakPolarHBondContact O-CA 3.35Å; P367-S605 WeakPolarHBondContact CD-O 3.31Å; P603-S605 PolarHBondContact O-N 3.29Å
606K96Very high97.1Very high121 Ų12147.3 Ų47.353%0.52625%0.254SS..SBendtrans-144.6158.4-178.8-65.2-179-177.7178.30110.3E609K606-E609 WeakPolarHBondContact CD-OE1 3.29Å
607K97.1Very high97Very high72 Ų7248.9 Ų48.931%0.31326%0.263SS..SBendtrans-91.9157.5171.5-59.8-175.2175.9-1600111.1P367 V368 F369 D373 E609P367-K607 HydrophobicContact CB-CG 4.16Å; P367-K607 HydrophobicContact CG-CG 4.28Å; V368-K607 WeakPolarHBondContact O-CE 3.46Å; V368-K607 PolarHBondContact O-NZ 2.79Å; F369-K607 HydrophobicContact CD1-CG 4.21Å; F369-K607 HydrophobicContact CE1-CG 3.99Å; D373-K607 VanDerWaalsContact CG-NZ 3.27Å; D373-K607 IonicContact OD1-NZ 3.66Å; D373-K607 PolarHBondContact OD1-NZ 2.82Å; D373-K607 VanDerWaalsContact OD2-CE 3.22Å; D373-K607 WeakPolarHBondContact OD2-CE 3.36Å; D373-K607 IonicContact OD2-NZ 3.91Å; D373-K607 PolarHBondContact OD2-NZ 2.95Å; K607-E609 VanDerWaalsContact C-N 3.29Å
608G96.9Very high97Very high63 Ų6348.9 Ų48.965%0.64926%0.262SS*.SBendtrans81.45.4174.600000114.3D377D377-G608 VanDerWaalsContact CG-N 3.33Å; D377-G608 PolarHBondContact OD1-N 3.39Å; D377-G608 WeakPolarHBondContact OD2-CA 3.28Å; D377-G608 PolarHBondContact OD2-N 3.36Å
609E95.3Very high97Very high121 Ų12149 Ų4957%0.56526%0.263SS*.  trans-109.8-16.2-178.3-64.4-175.9179.500112.6K606 K607K606-E609 WeakPolarHBondContact CD-OE1 3.29Å; K607-E609 VanDerWaalsContact C-N 3.29Å
610A97.4Very high96.9Very high13 Ų1349.1 Ų49.111%0.10726%0.264CS..  trans-70.5142.6179.100000111.8W376 D377 L380W376-A610 HydrophobicContact CB-CB 3.81Å; W376-A610 WeakPolarHBondContact CB-O 3.41Å; D377-A610 HydrophobicContact CB-CB 4.41Å; D377-A610 WeakPolarHBondContact OD1-CB 3.44Å; D377-A610 PolarHBondContact OD1-N 2.89Å; L380-A610 HydrophobicContact CD2-CB 4.21Å
611T96.9Very high96.7Very high65 Ų6549.1 Ų49.140%0.39927%0.265SS..  trans-138.3168.8175.664.50000108.9K613 T614 L615T611-K613 PolarHBondContact O-N 3.34Å; T611-K613 PolarHBondContact OG1-N 3.39Å; T611-T614 PolarHBondContact N-OG1 2.88Å; T611-T614 WeakPolarHBondContact O-CA 3.5Å; T611-T614 WeakPolarHBondContact O-CB 3.47Å; T611-T614 PolarHBondContact O-N 2.9Å; T611-T614 PolarHBondContact OG1-N 3.01Å; T611-T614 VanDerWaalsContact OG1-N 3.15Å; T611-T614 PolarHBondContact OG1-OG1 3.47Å; T611-L615 PolarHBondContact O-N 3.21Å
612E95.4Very high96.4Very high76 Ų7644.8 Ų44.836%0.35525%0.249SC..Hα-helixtrans-52.5-43.9171.3-171172.6-171.700111.6W376 T614 L615 L616W376-E612 HydrophobicContact CD2-CB 4.21Å; W376-E612 HydrophobicContact CE3-CB 4.3Å; W376-E612 HydrophobicContact CH2-CB 3.55Å; W376-E612 HydrophobicContact CH2-CG 3.48Å; W376-E612 VanDerWaalsContact CH2-CG 3.48Å; W376-E612 HydrophobicContact CZ2-CB 3.45Å; W376-E612 VanDerWaalsContact CZ2-CB 3.45Å; W376-E612 HydrophobicContact CZ2-CG 3.87Å; W376-E612 HydrophobicContact CZ3-CB 3.99Å; W376-E612 HydrophobicContact CZ3-CG 3.96Å; E612-T614 VanDerWaalsContact C-N 3.32Å; E612-T614 PolarHBondContact O-N 3.14Å; E612-L615 WeakPolarHBondContact O-CB 3.42Å; E612-L615 PolarHBondContact O-N 2.87Å; E612-L616 HydrophobicContact CG-CD1 3.93Å; E612-L616 HydrophobicContact CG-CG 4.36Å; E612-L616 WeakPolarHBondContact O-CG 3.49Å; E612-L616 PolarHBondContact O-N 2.81Å
613K96.1Very high96.1Very high144 Ų14441.6 Ų41.663%0.62623%0.228SC*.Hα-helixtrans-60-42.5176.9-179.3173.5-179.4169.70111.7T611 L615 L616 D617T611-K613 PolarHBondContact O-N 3.34Å; T611-K613 PolarHBondContact OG1-N 3.39Å; K613-L615 VanDerWaalsContact C-N 3.33Å; K613-L615 PolarHBondContact O-N 2.89Å; K613-L616 PolarHBondContact O-N 3.24Å; K613-D617 VanDerWaalsContact O-CB 3.28Å; K613-D617 WeakPolarHBondContact O-CB 3.47Å; K613-D617 PolarHBondContact O-N 3.22Å
614T96.7Very high95.9Very high35 Ų3540.9 Ų40.922%0.21522%0.223CC..Hα-helixtrans-61.2-42.8176.7-51.80000111.2L380 T611 E612 T618L380-T614 HydrophobicContact CD2-CG2 4.27Å; T611-T614 PolarHBondContact N-OG1 2.88Å; T611-T614 WeakPolarHBondContact O-CA 3.5Å; T611-T614 WeakPolarHBondContact O-CB 3.47Å; T611-T614 PolarHBondContact O-N 2.9Å; T611-T614 PolarHBondContact OG1-N 3.01Å; T611-T614 VanDerWaalsContact OG1-N 3.15Å; T611-T614 PolarHBondContact OG1-OG1 3.47Å; E612-T614 VanDerWaalsContact C-N 3.32Å; E612-T614 PolarHBondContact O-N 3.14Å; T614-T618 WeakPolarHBondContact O-CB 3.3Å; T614-T618 PolarHBondContact O-N 2.8Å; T614-T618 VanDerWaalsContact O-N 3.09Å; T614-T618 PolarHBondContact O-OG1 2.86Å
615L96.9Very high95.8Very high2 Ų240 Ų401%0.0122%0.217CC..Hα-helixtrans-61.2-53.4175.5178.567.5000111.1W261 W376 L379 L380 T383 T611 E612 K613 D617 T618 L619W261-L615 HydrophobicContact CH2-CD2 4.32Å; W376-L615 HydrophobicContact CE3-CB 4.42Å; W376-L615 HydrophobicContact CE3-CD2 4.03Å; W376-L615 HydrophobicContact CZ3-CD2 3.74Å; L379-L615 HydrophobicContact CD2-CD2 3.82Å; L379-L615 HydrophobicContact CG-CD2 4.24Å; L380-L615 HydrophobicContact CD1-CD1 3.81Å; T383-L615 HydrophobicContact CG2-CD1 4.26Å; T611-L615 PolarHBondContact O-N 3.21Å; E612-L615 WeakPolarHBondContact O-CB 3.42Å; E612-L615 PolarHBondContact O-N 2.87Å; K613-L615 VanDerWaalsContact C-N 3.33Å; K613-L615 PolarHBondContact O-N 2.89Å; L615-D617 VanDerWaalsContact C-N 3.31Å; L615-D617 PolarHBondContact O-N 2.86Å; L615-T618 CarbonylContact O-C 3.56Å; L615-T618 WeakPolarHBondContact O-CA 3.46Å; L615-T618 VanDerWaalsContact O-CB 3.3Å; L615-T618 WeakPolarHBondContact O-CB 2.92Å; L615-T618 PolarHBondContact O-N 3.04Å; L615-L619 HydrophobicContact CG-CD1 4.42Å; L615-L619 WeakPolarHBondContact O-CG 3.34Å; L615-L619 PolarHBondContact O-N 3.44Å
616L97.1Very high95.6Very high5 Ų537.5 Ų37.53%0.02620%0.2CC..Hα-helixtrans-61.1-38.3-178.9-66.7169.1000112.8W236 T237 I239 I242 E612 K613 T618 L619W236-L616 HydrophobicContact CB-CD2 3.92Å; T237-L616 WeakPolarHBondContact O-CD1 3.5Å; I239-L616 HydrophobicContact CG1-CD2 4.03Å; I242-L616 HydrophobicContact CD1-CD2 4.2Å; E612-L616 HydrophobicContact CG-CD1 3.93Å; E612-L616 HydrophobicContact CG-CG 4.36Å; E612-L616 WeakPolarHBondContact O-CG 3.49Å; E612-L616 PolarHBondContact O-N 2.81Å; K613-L616 PolarHBondContact O-N 3.24Å; L616-T618 PolarHBondContact O-N 3.15Å; L616-L619 PolarHBondContact O-N 3.47Å
617D96.7Very high95.4Very high34 Ų3434 Ų3418%0.18219%0.185CC..Hα-helixtrans-67.1-27.5174.5-74-27.2000112.3K235 R601 K613 L615K235-D617 PolarHBondContact NZ-O 3.24Å; R601-D617 IonicContact CZ-OD2 2.69Å; R601-D617 VanDerWaalsContact NH1-CB 3.32Å; R601-D617 IonicContact NH1-OD2 3.33Å; R601-D617 PolarHBondContact NH1-OD2 2.85Å; R601-D617 VanDerWaalsContact NH2-CB 3.31Å; R601-D617 IonicContact NH2-OD2 3.53Å; R601-D617 PolarHBondContact NH2-OD2 3Å; K613-D617 VanDerWaalsContact O-CB 3.28Å; K613-D617 WeakPolarHBondContact O-CB 3.47Å; K613-D617 PolarHBondContact O-N 3.22Å; L615-D617 VanDerWaalsContact C-N 3.31Å; L615-D617 PolarHBondContact O-N 2.86Å
618T98Very high95.2Very high2 Ų230.9 Ų30.91%0.01217%0.173CC..Hα-helixtrans-79.2-37.4177.2-55.30000111.9L380 F384 L599 E600 R601 T614 L615 L616L380-T618 HydrophobicContact CD1-CG2 4.1Å; F384-T618 HydrophobicContact CE2-CG2 4.07Å; F384-T618 HydrophobicContact CZ-CG2 3.94Å; L599-T618 CarbonylContact C-O 3.52Å; L599-T618 WeakPolarHBondContact CA-O 3.48Å; L599-T618 HydrophobicContact CB-CG2 4.1Å; L599-T618 HydrophobicContact CD2-CG2 4.1Å; L599-T618 HydrophobicContact CG-CG2 4.49Å; E600-T618 PolarHBondContact N-O 3.48Å; R601-T618 HydrophobicContact CB-CG2 4.04Å; T614-T618 WeakPolarHBondContact O-CB 3.3Å; T614-T618 PolarHBondContact O-N 2.8Å; T614-T618 VanDerWaalsContact O-N 3.09Å; T614-T618 PolarHBondContact O-OG1 2.86Å; L615-T618 CarbonylContact O-C 3.56Å; L615-T618 WeakPolarHBondContact O-CA 3.46Å; L615-T618 VanDerWaalsContact O-CB 3.3Å; L615-T618 WeakPolarHBondContact O-CB 2.92Å; L615-T618 PolarHBondContact O-N 3.04Å; L616-T618 PolarHBondContact O-N 3.15Å
619L97.8Very high95Very high2 Ų228.1 Ų28.11%0.0114%0.143CC..SBendtrans-62.2152.8176.7-67.4180000112.1K235 I242 T383 M592 P593 P596 L599 L615 L616K235-L619 PolarHBondContact NZ-O 3.5Å; I242-L619 HydrophobicContact CD1-CD1 4.08Å; T383-L619 HydrophobicContact CG2-CD2 3.85Å; M592-L619 HydrophobicContact CE-CB 3.99Å; M592-L619 HydrophobicContact CE-CD1 4.04Å; M592-L619 HydrophobicContact CE-CG 4.4Å; M592-L619 HydrophobicContact SD-CB 4.15Å; M592-L619 HydrophobicContact SD-CD1 4.2Å; M592-L619 HydrophobicContact SD-CD2 3.75Å; M592-L619 HydrophobicContact SD-CG 4.23Å; P593-L619 HydrophobicContact CG-CD1 4.41Å; P596-L619 HydrophobicContact CB-CD2 4.31Å; P596-L619 HydrophobicContact CG-CD2 4.46Å; L599-L619 HydrophobicContact CD2-CD2 4.34Å; L615-L619 HydrophobicContact CG-CD1 4.42Å; L615-L619 WeakPolarHBondContact O-CG 3.34Å; L615-L619 PolarHBondContact O-N 3.44Å; L616-L619 PolarHBondContact O-N 3.47Å
620P96.1Very high94.8Very high3 Ų323 Ų232%0.01912%0.122CC..PPolyproline II helixtrans-62.7153.9-179.824.4-33.1000112.7W236 M592 T598 E600 I624W236-P620 VanDerWaalsContact CD1-O 3.23Å; W236-P620 PolarHBondContact NE1-O 3.24Å; M592-P620 HydrophobicContact CE-CG 4.11Å; M592-P620 HydrophobicContact CG-CG 3.82Å; M592-P620 VanDerWaalsContact SD-CD 3.58Å; M592-P620 HydrophobicContact SD-CG 3.76Å; T598-P620 HydrophobicContact CG2-CB 3.83Å; T598-P620 WeakPolarHBondContact O-CD 3.46Å; E600-P620 WeakPolarHBondContact OE1-CA 3.23Å; P620-I624 HydrophobicContact CB-CB 3.99Å; P620-I624 HydrophobicContact CB-CG2 3.65Å
621S93.9Very high94.5Very high13 Ų1322.9 Ų22.99%0.09112%0.12CC..PPolyproline II helixtrans-61.4164.3168.455.70000112.7M234 E600 D623 I624 T625M234-S621 WeakPolarHBondContact O-CA 3.46Å; M234-S621 WeakPolarHBondContact O-CB 3.5Å; E600-S621 PolarHBondContact OE1-N 3.23Å; S621-D623 WeakPolarHBondContact CB-OD1 3.47Å; S621-D623 PolarHBondContact O-N 3.04Å; S621-D623 PolarHBondContact OG-OD1 3.43Å; S621-I624 PolarHBondContact O-N 2.93Å; S621-T625 WeakPolarHBondContact O-CB 3.46Å; S621-T625 PolarHBondContact O-N 3.37Å; S621-T625 PolarHBondContact O-OG1 3.11Å
622S92.5Very high94.3Very high2 Ų219.8 Ų19.81%0.01410%0.102CC..Hα-helixtrans-61.8-37.5-175.141.80000114.2H232 M234 T625 V626H232-S622 PolarHBondContact O-OG 3.35Å; M234-S622 PolarHBondContact N-OG 2.75Å; M234-S622 PolarHBondContact O-N 2.92Å; M234-S622 PolarHBondContact O-OG 3.13Å; S622-T625 WeakPolarHBondContact O-CB 3.38Å; S622-T625 PolarHBondContact O-N 3.25Å; S622-V626 WeakPolarHBondContact O-CB 2.97Å; S622-V626 WeakPolarHBondContact O-CG2 3.49Å; S622-V626 PolarHBondContact O-N 3.12Å
623D91.1Very high94.1Very high5 Ų518 Ų183%0.0279%0.092CC..Hα-helixtrans-63.7-45.9176.658.7-46.8000112.3V230 H232 K233 S621 T625 V626 Q627V230-D623 VanDerWaalsContact O-CB 3.31Å; V230-D623 WeakPolarHBondContact O-CB 2.91Å; H232-D623 PolarHBondContact O-N 2.98Å; H232-D623 VanDerWaalsContact O-N 3.09Å; K233-D623 HydrophobicContact CG-CB 4.48Å; S621-D623 WeakPolarHBondContact CB-OD1 3.47Å; S621-D623 PolarHBondContact O-N 3.04Å; S621-D623 PolarHBondContact OG-OD1 3.43Å; D623-T625 VanDerWaalsContact C-N 3.33Å; D623-T625 PolarHBondContact O-N 2.88Å; D623-V626 PolarHBondContact O-N 3.27Å; D623-Q627 WeakPolarHBondContact O-CG 3.46Å; D623-Q627 PolarHBondContact O-N 2.99Å
624I94.2Very high93.7Very high8 Ų813.1 Ų13.14%0.0417%0.072CC..Hα-helixtrans-63.9-42.1175.9-66.5176000110.5I330 F455 T598 P620 S621 V626 Q627 S628I330-I624 HydrophobicContact CB-CD1 4.41Å; I330-I624 HydrophobicContact CD1-CD1 4.42Å; I330-I624 HydrophobicContact CG2-CD1 3.81Å; I330-I624 HydrophobicContact CG2-CG1 4.22Å; F455-I624 HydrophobicContact CB-CG2 4Å; T598-I624 HydrophobicContact CG2-CG2 3.61Å; P620-I624 HydrophobicContact CB-CB 3.99Å; P620-I624 HydrophobicContact CB-CG2 3.65Å; S621-I624 PolarHBondContact O-N 2.93Å; I624-V626 PolarHBondContact O-N 3.05Å; I624-Q627 PolarHBondContact O-N 3.15Å; I624-S628 WeakPolarHBondContact O-CB 3.35Å; I624-S628 PolarHBondContact O-N 2.61Å
625T93.8Very high93.3Very high2 Ų212.6 Ų12.61%0.0127%0.068CC..Hα-helixtrans-58.7-48.9177.1-57.90000110.9W236 L245 M592 S621 S622 D623 S628 M629W236-T625 HydrophobicContact CZ2-CG2 4.33Å; L245-T625 HydrophobicContact CD1-CG2 3.62Å; M592-T625 HydrophobicContact CB-CG2 3.71Å; M592-T625 HydrophobicContact CE-CG2 4.34Å; M592-T625 HydrophobicContact CG-CG2 3.96Å; S621-T625 WeakPolarHBondContact O-CB 3.46Å; S621-T625 PolarHBondContact O-N 3.37Å; S621-T625 PolarHBondContact O-OG1 3.11Å; S622-T625 WeakPolarHBondContact O-CB 3.38Å; S622-T625 PolarHBondContact O-N 3.25Å; D623-T625 VanDerWaalsContact C-N 3.33Å; D623-T625 PolarHBondContact O-N 2.88Å; T625-S628 PolarHBondContact O-N 2.78Å; T625-M629 HydrophobicContact CG2-SD 4.1Å; T625-M629 WeakPolarHBondContact O-CG 3.44Å; T625-M629 PolarHBondContact O-N 2.8Å
626V91.8Very high92.9Very high0 Ų013.8 Ų13.80%08%0.076CC..Hα-helixtrans-64.3-41.2179.9166.30000111.8L221 L226 W229 V230 L245 S622 D623 I624 M629 A630L221-V626 HydrophobicContact CD2-CG1 3.42Å; L221-V626 VanDerWaalsContact CD2-CG1 3.42Å; L226-V626 HydrophobicContact CB-CG1 3.75Å; L226-V626 HydrophobicContact CB-CG2 4.38Å; L226-V626 HydrophobicContact CD1-CB 4.44Å; L226-V626 HydrophobicContact CD1-CG1 4.05Å; L226-V626 HydrophobicContact CD1-CG2 4.21Å; L226-V626 HydrophobicContact CG-CG1 4.5Å; W229-V626 HydrophobicContact CB-CG2 3.6Å; W229-V626 HydrophobicContact CG-CG2 4.47Å; V230-V626 HydrophobicContact CG2-CG1 4.21Å; L245-V626 HydrophobicContact CD1-CG2 4.21Å; L245-V626 HydrophobicContact CD2-CG2 3.95Å; S622-V626 WeakPolarHBondContact O-CB 2.97Å; S622-V626 WeakPolarHBondContact O-CG2 3.49Å; S622-V626 PolarHBondContact O-N 3.12Å; D623-V626 PolarHBondContact O-N 3.27Å; I624-V626 PolarHBondContact O-N 3.05Å; V626-M629 PolarHBondContact O-N 3.09Å; V626-A630 WeakPolarHBondContact O-CB 3.28Å; V626-A630 PolarHBondContact O-N 3.24Å
627Q91.3Very high92.4Very high47 Ų4716.3 Ų16.322%0.229%0.087CC..Hα-helixtrans-62.5-44.1175.8-74.1-178.730.700111.8F455 D623 I624 A630 A631F455-Q627 HydrophobicContact CB-CB 4.31Å; D623-Q627 WeakPolarHBondContact O-CG 3.46Å; D623-Q627 PolarHBondContact O-N 2.99Å; I624-Q627 PolarHBondContact O-N 3.15Å; Q627-A630 PolarHBondContact O-N 2.95Å; Q627-A631 WeakPolarHBondContact O-CB 3.46Å; Q627-A631 PolarHBondContact O-N 3.02Å
628S93.4Very high91.9Very high7 Ų720.1 Ų20.15%0.04910%0.104CC..Hα-helixtrans-62-47176.1179.30000111.6A597 I624 T625 A630 A631 V632A597-S628 WeakPolarHBondContact CB-OG 3.15Å; I624-S628 WeakPolarHBondContact O-CB 3.35Å; I624-S628 PolarHBondContact O-N 2.61Å; T625-S628 PolarHBondContact O-N 2.78Å; S628-A630 PolarHBondContact O-N 3.15Å; S628-A631 PolarHBondContact O-N 3.37Å; S628-V632 WeakPolarHBondContact O-CG2 3.08Å; S628-V632 PolarHBondContact O-N 2.9Å
629M92.7Very high91.4Very high4 Ų420.4 Ų20.42%0.0211%0.106CC..Hα-helixtrans-59.4-43.8176.7-72175.470.600112.4L226 L245 G590 T625 V626 A631 V632 W633L226-M629 HydrophobicContact CD1-CB 4.27Å; L226-M629 HydrophobicContact CD1-CE 4.08Å; L226-M629 HydrophobicContact CD1-SD 4.22Å; L245-M629 HydrophobicContact CB-CE 4.32Å; L245-M629 HydrophobicContact CB-SD 4.14Å; L245-M629 HydrophobicContact CD1-SD 4.18Å; G590-M629 WeakPolarHBondContact O-CE 3.35Å; T625-M629 HydrophobicContact CG2-SD 4.1Å; T625-M629 WeakPolarHBondContact O-CG 3.44Å; T625-M629 PolarHBondContact O-N 2.8Å; V626-M629 PolarHBondContact O-N 3.09Å; M629-A631 VanDerWaalsContact C-N 3.35Å; M629-V632 WeakPolarHBondContact O-CG2 3.19Å; M629-W633 WeakPolarHBondContact O-CB 3.18Å; M629-W633 PolarHBondContact O-N 2.96Å
630A91.3Very high90.9Very high14 Ų1424.7 Ų24.712%0.11613%0.132CC..Hα-helixtrans-66-37.6178.100000112.2L221 L224 V626 Q627 S628 L634L221-A630 HydrophobicContact CD2-CB 3.83Å; L221-A630 HydrophobicContact CG-CB 4.26Å; L224-A630 HydrophobicContact CD1-CB 4.28Å; V626-A630 WeakPolarHBondContact O-CB 3.28Å; V626-A630 PolarHBondContact O-N 3.24Å; Q627-A630 PolarHBondContact O-N 2.95Å; S628-A630 PolarHBondContact O-N 3.15Å; A630-L634 PolarHBondContact O-N 3.31Å; A630-L634 VanDerWaalsContact O-N 3.1Å
631A91.4Very high90.5Very high10 Ų1025.4 Ų25.48%0.08314%0.136CC..Hα-helixtrans-64.1-51.9175.800000111.3F455 Q627 S628 M629 W633 L634 L635F455-A631 HydrophobicContact CE1-CB 3.85Å; F455-A631 HydrophobicContact CZ-CB 4.03Å; Q627-A631 WeakPolarHBondContact O-CB 3.46Å; Q627-A631 PolarHBondContact O-N 3.02Å; S628-A631 PolarHBondContact O-N 3.37Å; M629-A631 VanDerWaalsContact C-N 3.35Å; A631-W633 VanDerWaalsContact C-N 3.3Å; A631-W633 PolarHBondContact O-N 3.18Å; A631-L634 WeakPolarHBondContact O-CB 3.27Å; A631-L634 PolarHBondContact O-N 2.73Å; A631-L634 VanDerWaalsContact O-N 3.15Å; A631-L635 VanDerWaalsContact O-CG 3.3Å; A631-L635 WeakPolarHBondContact O-CG 3.39Å; A631-L635 PolarHBondContact O-N 2.9Å
632V91.8Very high90.4Very high1 Ų125.5 Ų25.51%0.00614%0.137CC..Hα-helixtrans-69-27.6-178.9-61.50000113.1Q585 Y586 I589 S628 M629 S636Q585-V632 HydrophobicContact CB-CB 4.14Å; Y586-V632 HydrophobicContact CD2-CG2 4.1Å; I589-V632 HydrophobicContact CB-CG1 4.24Å; I589-V632 HydrophobicContact CB-CG2 4.24Å; I589-V632 HydrophobicContact CD1-CG1 4.02Å; I589-V632 HydrophobicContact CG2-CG1 3.94Å; I589-V632 HydrophobicContact CG2-CG2 4.25Å; S628-V632 WeakPolarHBondContact O-CG2 3.08Å; S628-V632 PolarHBondContact O-N 2.9Å; M629-V632 WeakPolarHBondContact O-CG2 3.19Å; V632-S636 WeakPolarHBondContact O-CB 3.26Å; V632-S636 PolarHBondContact O-N 2.93Å; V632-S636 VanDerWaalsContact O-N 3.14Å; V632-S636 PolarHBondContact O-OG 3.26Å
633W90.9Very high90.5Very high39 Ų3927.6 Ų27.615%0.14815%0.146CC..Hα-helixtrans-62.4-48169175.7-110.2000111.5E223 L224 H249 Y586 M629 A631 L635 S636 K637E223-W633 PolarHBondContact OE2-NE1 3.27Å; L224-W633 HydrophobicContact CD1-CB 3.84Å; L224-W633 HydrophobicContact CD1-CG 4.07Å; L224-W633 HydrophobicContact CD2-CB 4.28Å; L224-W633 HydrophobicContact CD2-CD2 3.89Å; L224-W633 HydrophobicContact CD2-CE3 4.22Å; L224-W633 HydrophobicContact CD2-CG 3.9Å; L224-W633 HydrophobicContact CG-CB 4.37Å; L224-W633 HydrophobicContact CG-CG 4.07Å; H249-W633 AromaticContact CD2-CZ3 3.87Å; H249-W633 AromaticContact CE1-CH2 3.51Å; H249-W633 AromaticContact CE1-CZ3 3.95Å; H249-W633 AromaticContact NE2-CH2 3.25Å; H249-W633 VanDerWaalsContact NE2-CH2 3.25Å; H249-W633 WeakPolarHBondContact NE2-CH2 3.26Å; H249-W633 AromaticContact NE2-CZ3 3.25Å; H249-W633 VanDerWaalsContact NE2-CZ3 3.25Å; H249-W633 WeakPolarHBondContact NE2-CZ3 3.21Å; Y586-W633 HydrophobicContact CD1-CE3 4Å; Y586-W633 HydrophobicContact CD1-CZ3 4.28Å; Y586-W633 HydrophobicContact CD2-CB 3.71Å; Y586-W633 HydrophobicContact CD2-CD2 4.44Å; Y586-W633 AromaticContact CD2-CE3 3.78Å; Y586-W633 HydrophobicContact CD2-CE3 3.78Å; Y586-W633 HydrophobicContact CD2-CG 4.47Å; Y586-W633 HydrophobicContact CE1-CE3 4.26Å; Y586-W633 HydrophobicContact CE2-CB 3.97Å; Y586-W633 HydrophobicContact CE2-CE3 4.04Å; Y586-W633 AromaticContact CG-CE3 3.76Å; Y586-W633 HydrophobicContact CG-CE3 3.76Å; Y586-W633 HydrophobicContact CG-CZ3 4.43Å; M629-W633 WeakPolarHBondContact O-CB 3.18Å; M629-W633 PolarHBondContact O-N 2.96Å; A631-W633 VanDerWaalsContact C-N 3.3Å; A631-W633 PolarHBondContact O-N 3.18Å; W633-L635 VanDerWaalsContact C-N 3.35Å; W633-L635 PolarHBondContact O-N 2.82Å; W633-S636 PolarHBondContact O-N 2.71Å; W633-S636 PolarHBondContact O-OG 3.41Å; W633-K637 WeakPolarHBondContact O-CB 3.46Å; W633-K637 PolarHBondContact O-N 2.95Å
634L88.3Confident90.8Very high41 Ų4130 Ų3022%0.21516%0.156CC..Hα-helixtrans-60.1-45.2178.5174.167.3000111.6M213 T216 I217 A630 A631 S636 K637M213-L634 HydrophobicContact SD-CD1 4.19Å; T216-L634 HydrophobicContact CG2-CD1 3.47Å; T216-L634 VanDerWaalsContact CG2-CD1 3.47Å; I217-L634 HydrophobicContact CG1-CD1 3.82Å; I217-L634 HydrophobicContact CG1-CD2 3.8Å; A630-L634 PolarHBondContact O-N 3.31Å; A630-L634 VanDerWaalsContact O-N 3.1Å; A631-L634 WeakPolarHBondContact O-CB 3.27Å; A631-L634 PolarHBondContact O-N 2.73Å; A631-L634 VanDerWaalsContact O-N 3.15Å; L634-S636 VanDerWaalsContact C-N 3.32Å; L634-S636 PolarHBondContact O-N 2.82Å; L634-K637 PolarHBondContact O-N 3.38Å
635L87.7Confident90.9Very high23 Ų2330 Ų3012%0.1216%0.157CC..Hα-helixtrans-70.9-25.1-176.5-62.8172.1000113.3L445 N582 A631 W633 V701L445-L635 HydrophobicContact CD2-CD2 4.44Å; N582-L635 PolarHBondContact ND2-O 2.94Å; N582-L635 PolarHBondContact OD1-O 2.99Å; N582-L635 VanDerWaalsContact OD1-O 3.06Å; A631-L635 VanDerWaalsContact O-CG 3.3Å; A631-L635 WeakPolarHBondContact O-CG 3.39Å; A631-L635 PolarHBondContact O-N 2.9Å; W633-L635 VanDerWaalsContact C-N 3.35Å; W633-L635 PolarHBondContact O-N 2.82Å; L635-V701 VanDerWaalsContact O-CG2 3.28Å; L635-V701 WeakPolarHBondContact O-CG2 3.25Å
636S89.4Confident91Very high28 Ų2830 Ų3020%0.19616%0.157CC..Hα-helixtrans-95.6-2.9178.954.60000114Y586 V632 W633 L634 E638Y586-S636 WeakPolarHBondContact CB-OG 3.44Å; V632-S636 WeakPolarHBondContact O-CB 3.26Å; V632-S636 PolarHBondContact O-N 2.93Å; V632-S636 VanDerWaalsContact O-N 3.14Å; V632-S636 PolarHBondContact O-OG 3.26Å; W633-S636 PolarHBondContact O-N 2.71Å; W633-S636 PolarHBondContact O-OG 3.41Å; L634-S636 VanDerWaalsContact C-N 3.32Å; L634-S636 PolarHBondContact O-N 2.82Å; S636-E638 PolarHBondContact O-N 2.81Å
637K86.4Confident91.1Very high57 Ų5733 Ų3325%0.24817%0.173CC..PPolyproline II helixtrans-80.1121.5-175.2-163.9-179.6-174.1176.40111.8T216 E223 W633 L634T216-K637 HydrophobicContact CG2-CD 3.37Å; T216-K637 PolarHBondContact OG1-NZ 3.43Å; E223-K637 IonicContact OE1-NZ 2.69Å; E223-K637 PolarHBondContact OE1-NZ 3.19Å; E223-K637 IonicContact OE2-NZ 3.06Å; E223-K637 PolarHBondContact OE2-NZ 2.72Å; W633-K637 WeakPolarHBondContact O-CB 3.46Å; W633-K637 PolarHBondContact O-N 2.95Å; L634-K637 PolarHBondContact O-N 3.38Å
638E86.1Confident91.3Very high114 Ų11432.5 Ų32.553%0.53317%0.169SC..PPolyproline II helixtrans-64.7143.5173.2-165.7-170.1130.900111.8S636 F644S636-E638 PolarHBondContact O-N 2.81Å; E638-F644 HydrophobicContact CG-CZ 4.47Å; E638-F644 WeakPolarHBondContact OE1-CZ 3.28Å
639S87.5Confident91.1Very high8 Ų836.1 Ų36.16%0.05619%0.193CC..PPolyproline II helixtrans-90.2147.8173.4-171.20000111K209 E212 D641 S642K209-S639 WeakPolarHBondContact CD-OG 3.34Å; K209-S639 VanDerWaalsContact NZ-CB 3.34Å; E212-S639 PolarHBondContact OE2-OG 2.87Å; S639-D641 WeakPolarHBondContact CB-OD1 2.9Å; S639-D641 PolarHBondContact O-N 2.77Å; S639-D641 VanDerWaalsContact O-N 3.14Å; S639-D641 PolarHBondContact OG-OD1 2.93Å; S639-S642 WeakPolarHBondContact CB-OG 3.16Å; S639-S642 PolarHBondContact N-OG 3.05Å; S639-S642 VanDerWaalsContact O-CB 3.31Å; S639-S642 WeakPolarHBondContact O-CB 3.35Å; S639-S642 PolarHBondContact O-N 3.24Å; S639-S642 VanDerWaalsContact O-N 3.11Å; S639-S642 PolarHBondContact O-OG 3.41Å; S639-S642 VanDerWaalsContact O-OG 3.05Å
640T88.3Confident91Very high92 Ų9239.1 Ų39.156%0.56421%0.207SC*.THydrogen-bonded Turntrans-77.80.6177.284.10000113.2K208 E212K208-T640 WeakPolarHBondContact CE-OG1 3.45Å; K208-T640 PolarHBondContact NZ-O 2.63Å; K208-T640 PolarHBondContact NZ-OG1 3.4Å; E212-T640 VanDerWaalsContact CD-OG1 3.27Å; E212-T640 PolarHBondContact OE1-OG1 2.85Å; E212-T640 PolarHBondContact OE2-N 3.26Å; E212-T640 PolarHBondContact OE2-OG1 2.94Å
641D87.5Confident91.1Very high19 Ų1941.9 Ų41.910%0.10222%0.217CC..THydrogen-bonded Turntrans-114.321.2168.984.9-34.1000113S206 K208 K209 R432 Y433 S639S206-D641 PolarHBondContact OG-OD2 2.91Å; K208-D641 HydrophobicContact CD-CB 4.28Å; K209-D641 WeakPolarHBondContact CD-OD1 3.28Å; R432-D641 IonicContact CZ-OD2 3.75Å; R432-D641 PolarHBondContact NH1-O 3.32Å; R432-D641 PolarHBondContact NH2-O 2.95Å; R432-D641 IonicContact NH2-OD2 3.48Å; R432-D641 PolarHBondContact NH2-OD2 3.49Å; Y433-D641 PolarHBondContact OH-OD2 2.83Å; S639-D641 WeakPolarHBondContact CB-OD1 2.9Å; S639-D641 PolarHBondContact O-N 2.77Å; S639-D641 VanDerWaalsContact O-N 3.14Å; S639-D641 PolarHBondContact OG-OD1 2.93Å
642S91Very high91.3Very high15 Ų1542.1 Ų42.111%0.10522%0.216CC..  trans-61.7141.2173.5-73.10000111S639 E696S639-S642 WeakPolarHBondContact CB-OG 3.16Å; S639-S642 PolarHBondContact N-OG 3.05Å; S639-S642 VanDerWaalsContact O-CB 3.31Å; S639-S642 WeakPolarHBondContact O-CB 3.35Å; S639-S642 PolarHBondContact O-N 3.24Å; S639-S642 VanDerWaalsContact O-N 3.11Å; S639-S642 PolarHBondContact O-OG 3.41Å; S639-S642 VanDerWaalsContact O-OG 3.05Å; S642-E696 WeakPolarHBondContact CB-OE1 3.45Å; S642-E696 PolarHBondContact OG-OE1 2.86Å
643E94.3Very high91.5Very high45 Ų4542.4 Ų42.421%0.2122%0.217CC..  trans-118.9105.4-179.9-71.1-67.5172.500108.4N647 N697E643-N647 PolarHBondContact OE2-ND2 3.19Å; E643-N697 PolarHBondContact O-N 3.39Å; E643-N697 PolarHBondContact O-ND2 2.84Å
644F96.9Very high91.7Very high55 Ų5541.9 Ų41.924%0.24122%0.217CC..BIsolated β-bridgetrans-76158.1-175.7-57.4-65.7000113.4E638 G646 N647 E693 V695 E696 N697E638-F644 HydrophobicContact CG-CZ 4.47Å; E638-F644 WeakPolarHBondContact OE1-CZ 3.28Å; F644-G646 PolarHBondContact O-N 3.39Å; F644-N647 VanDerWaalsContact O-CB 3.23Å; F644-N647 WeakPolarHBondContact O-CB 3.13Å; F644-N647 PolarHBondContact O-N 3.17Å; F644-E693 WeakPolarHBondContact CD1-O 3.46Å; F644-E693 VanDerWaalsContact CE1-O 3.3Å; F644-E693 WeakPolarHBondContact CE1-O 3.31Å; F644-E693 WeakPolarHBondContact CZ-O 3.34Å; F644-V695 CarbonylContact C-O 3.56Å; F644-V695 VanDerWaalsContact CA-O 3.31Å; F644-V695 WeakPolarHBondContact CA-O 3.31Å; F644-E696 HydrophobicContact CD1-CG 4.33Å; F644-E696 HydrophobicContact CE1-CG 4.41Å; F644-N697 PolarHBondContact O-ND2 3.14Å; F644-N697 PolarHBondContact O-OD1 3.29Å
645L97.8Very high92.1Very high10 Ų1041 Ų415%0.05221%0.212CC..THydrogen-bonded Turntrans-52.7126.2-173.5-17361.3000111.3L505 I509 N647 F665 L669 V695 N697L505-L645 HydrophobicContact CD2-CD2 4.02Å; I509-L645 HydrophobicContact CD1-CD2 4.17Å; I509-L645 HydrophobicContact CG1-CD2 4.42Å; L645-N647 VanDerWaalsContact C-N 3.27Å; L645-N647 PolarHBondContact O-N 3.09Å; L645-F665 HydrophobicContact CD1-CE1 4.24Å; L645-F665 HydrophobicContact CD1-CZ 3.95Å; L645-F665 HydrophobicContact CD2-CZ 4.18Å; L645-F665 HydrophobicContact CG-CE1 4.19Å; L645-F665 HydrophobicContact CG-CZ 3.81Å; L645-L669 HydrophobicContact CB-CD1 4.3Å; L645-L669 HydrophobicContact CD2-CD1 4.34Å; L645-L669 HydrophobicContact CD2-CD2 4.01Å; L645-L669 HydrophobicContact CG-CD1 3.93Å; L645-L669 HydrophobicContact CG-CD2 4.5Å; L645-L669 WeakPolarHBondContact O-CD1 3.29Å; L645-V695 HydrophobicContact CB-CB 4.34Å; L645-V695 HydrophobicContact CB-CG1 4.08Å; L645-V695 WeakPolarHBondContact CB-O 3.2Å; L645-V695 HydrophobicContact CD2-CG1 4.1Å; L645-V695 PolarHBondContact N-O 3.39Å; L645-N697 VanDerWaalsContact CA-OD1 3.28Å; L645-N697 WeakPolarHBondContact CA-OD1 3.34Å
646G94.8Very high92.6Very high2 Ų246.5 Ų46.52%0.02124%0.241CC..THydrogen-bonded Turntrans81.9-1.9-178.400000114.8F644 F665 N697F644-G646 PolarHBondContact O-N 3.39Å; G646-F665 VanDerWaalsContact CA-CE1 3.48Å; G646-N697 PolarHBondContact N-OD1 3.02Å
647N95Very high93Very high63 Ų6347.9 Ų47.934%0.33725%0.248SC..  trans-88.3109164.8-159.945.4000110.3E643 F644 L645 P649 N697E643-N647 PolarHBondContact OE2-ND2 3.19Å; F644-N647 VanDerWaalsContact O-CB 3.23Å; F644-N647 WeakPolarHBondContact O-CB 3.13Å; F644-N647 PolarHBondContact O-N 3.17Å; L645-N647 VanDerWaalsContact C-N 3.27Å; L645-N647 PolarHBondContact O-N 3.09Å; N647-P649 WeakPolarHBondContact O-CD 3.36Å; N647-N697 PolarHBondContact O-ND2 3.23Å
648Y94.3Very high93.5Very high35 Ų3545.1 Ų45.114%0.13724%0.237CC..  trans-120.781.4-177.4-54.7-45000110.3P429 H430 F512 E650 I662 F665 N697P429-Y648 HydrophobicContact CB-CD1 3.6Å; P429-Y648 HydrophobicContact CB-CE1 3.75Å; P429-Y648 HydrophobicContact CG-CD1 3.9Å; P429-Y648 HydrophobicContact CG-CE1 4.22Å; H430-Y648 AromaticContact CE1-CE1 3.95Å; H430-Y648 PolarHBondContact CE1-OH 2.93Å; H430-Y648 AromaticContact NE2-CE1 3.83Å; H430-Y648 AromaticContact NE2-CZ 3.84Å; H430-Y648 PolarHBondContact NE2-OH 3.16Å; H430-Y648 VanDerWaalsContact NE2-OH 3.1Å; F512-Y648 HydrophobicContact CE1-CE2 4.29Å; F512-Y648 HydrophobicContact CZ-CE2 4.05Å; Y648-E650 PolarHBondContact O-N 2.92Å; Y648-I662 HydrophobicContact CD2-CB 4.45Å; Y648-I662 HydrophobicContact CD2-CD1 4.06Å; Y648-I662 HydrophobicContact CD2-CG1 3.95Å; Y648-I662 HydrophobicContact CD2-CG2 3.69Å; Y648-I662 HydrophobicContact CE2-CG1 4.13Å; Y648-I662 HydrophobicContact CE2-CG2 4.21Å; Y648-F665 HydrophobicContact CE2-CD1 4.25Å; Y648-F665 HydrophobicContact CE2-CE1 4.4Å; Y648-F665 WeakPolarHBondContact OH-CE1 3.49Å; Y648-N697 VanDerWaalsContact CE1-OD1 3.25Å; Y648-N697 WeakPolarHBondContact CE1-OD1 3.49Å
649P90.1Very high94.1Very high83 Ų8342.4 Ų42.454%0.53923%0.225SC..  trans-65.9-28.1-179.327.2-35.8000112.6N647 Q651N647-P649 WeakPolarHBondContact O-CD 3.36Å; P649-Q651 PolarHBondContact O-N 3.05Å
650E91.1Very high94.6Very high68 Ų6848.8 Ų48.832%0.31825%0.252SS..SBendtrans-82.595.7172.3-60.9-174.517200110Y108 Y648 R652Y108-E650 HydrophobicContact CD1-CB 3.93Å; Y108-E650 HydrophobicContact CD1-CG 3.66Å; Y108-E650 HydrophobicContact CD2-CB 4.17Å; Y108-E650 HydrophobicContact CE1-CB 3.96Å; Y108-E650 HydrophobicContact CE1-CG 3.97Å; Y108-E650 HydrophobicContact CE2-CB 4.21Å; Y108-E650 HydrophobicContact CG-CB 4.04Å; Y108-E650 HydrophobicContact CG-CG 4.04Å; Y648-E650 PolarHBondContact O-N 2.92Å; E650-R652 HydrophobicContact CB-CG 4.45Å; E650-R652 PolarHBondContact O-N 2.7Å; E650-R652 IonicContact OE2-CZ 2.67Å; E650-R652 IonicContact OE2-NE 2.64Å; E650-R652 PolarHBondContact OE2-NE 3.31Å; E650-R652 IonicContact OE2-NH2 2.69Å; E650-R652 PolarHBondContact OE2-NH2 3.15Å
651Q93Very high95.1Very high72 Ų7246 Ų4634%0.33623%0.234SC..  trans-72.288.6177.3-174.9-178.5-23.100110.8Y108 P649 F653 L659Y108-Q651 WeakPolarHBondContact CE2-O 3.48Å; Y108-Q651 PolarHBondContact OH-N 3.46Å; Y108-Q651 VanDerWaalsContact OH-N 3.08Å; P649-Q651 PolarHBondContact O-N 3.05Å; Q651-F653 WeakPolarHBondContact CG-O 3.4Å; Q651-F653 PolarHBondContact NE2-O 2.8Å; Q651-L659 HydrophobicContact CG-CD2 4.14Å
652R94.6Very high95.6Very high14 Ų1446.9 Ų46.95%0.05324%0.238CC..  trans-86.9-23.6179.3-65.8-174.3177.5-80.11.2114.1Y108 K425 E650Y108-R652 VanDerWaalsContact CB-NH2 3.28Å; Y108-R652 HydrophobicContact CD2-CG 4.18Å; Y108-R652 HydrophobicContact CE2-CG 4.41Å; K425-R652 HydrophobicContact CB-CB 4.01Å; K425-R652 WeakPolarHBondContact CD-O 3.33Å; K425-R652 HydrophobicContact CG-CB 4.07Å; K425-R652 PolarHBondContact NZ-O 3.34Å; E650-R652 HydrophobicContact CB-CG 4.45Å; E650-R652 PolarHBondContact O-N 2.7Å; E650-R652 IonicContact OE2-CZ 2.67Å; E650-R652 IonicContact OE2-NE 2.64Å; E650-R652 PolarHBondContact OE2-NE 3.31Å; E650-R652 IonicContact OE2-NH2 2.69Å; E650-R652 PolarHBondContact OE2-NH2 3.15Å
653F96.8Very high95.9Very high7 Ų752.4 Ų52.43%0.03126%0.26CS..  trans-93.6141.9169.7-70.5-68.5000110.5A124 K425 L426 T516 Y520 Q651 P658 L659 I662A124-F653 HydrophobicContact CB-CE1 4.41Å; K425-F653 HydrophobicContact CB-CD1 4.05Å; K425-F653 HydrophobicContact CB-CD2 4.23Å; K425-F653 HydrophobicContact CB-CE1 3.6Å; K425-F653 HydrophobicContact CB-CE2 3.8Å; K425-F653 HydrophobicContact CB-CG 4.35Å; K425-F653 HydrophobicContact CB-CZ 3.47Å; K425-F653 VanDerWaalsContact CB-CZ 3.47Å; K425-F653 HydrophobicContact CD-CD1 3.87Å; K425-F653 HydrophobicContact CD-CE1 3.83Å; K425-F653 HydrophobicContact CG-CE1 4.37Å; L426-F653 HydrophobicContact CB-CE2 4.37Å; L426-F653 HydrophobicContact CB-CZ 4.19Å; T516-F653 HydrophobicContact CG2-CE2 4.37Å; T516-F653 HydrophobicContact CG2-CZ 4Å; Y520-F653 AromaticContact CE2-CE1 3.81Å; Y520-F653 HydrophobicContact CE2-CE1 3.81Å; Y520-F653 AromaticContact CZ-CE1 3.93Å; Y520-F653 VanDerWaalsContact OH-CD1 3.3Å; Y520-F653 WeakPolarHBondContact OH-CD1 3.4Å; Y520-F653 WeakPolarHBondContact OH-CE1 3.23Å; Q651-F653 WeakPolarHBondContact CG-O 3.4Å; Q651-F653 PolarHBondContact NE2-O 2.8Å; F653-P658 HydrophobicContact CB-CB 3.82Å; F653-P658 HydrophobicContact CB-CG 4.47Å; F653-P658 HydrophobicContact CD1-CB 3.71Å; F653-P658 HydrophobicContact CD1-CG 3.84Å; F653-P658 HydrophobicContact CD2-CB 3.94Å; F653-P658 HydrophobicContact CE1-CB 4.22Å; F653-P658 HydrophobicContact CE1-CG 4.27Å; F653-P658 HydrophobicContact CE2-CB 4.42Å; F653-P658 HydrophobicContact CG-CB 3.54Å; F653-P658 HydrophobicContact CG-CG 4.18Å; F653-L659 HydrophobicContact CB-CD2 4.48Å; F653-I662 HydrophobicContact CD2-CD1 4.18Å
654I95.3Very high96.1Very high28 Ų2852.9 Ų52.914%0.14427%0.266CS..  trans-117.9-12.9175.765.5167000112.1Q104 E121 G122Q104-I654 HydrophobicContact CB-CG2 4.04Å; E121-I654 WeakPolarHBondContact OE1-CD1 3.5Å; E121-I654 WeakPolarHBondContact OE2-CD1 3.48Å; G122-I654 VanDerWaalsContact C-CD1 3.49Å
655E96.8Very high96.2Very high23 Ų2350.3 Ų50.311%0.10726%0.255CS..SBendtrans-81.4143.8-176.6-51.694.4135.800111.7S123 A124 Y520 V657 P658 L659S123-E655 WeakPolarHBondContact CA-OE1 3.41Å; A124-E655 PolarHBondContact N-OE1 3.2Å; Y520-E655 PolarHBondContact OH-OE1 3.19Å; Y520-E655 VanDerWaalsContact OH-OE1 3.05Å; E655-V657 VanDerWaalsContact C-N 3.32Å; E655-V657 PolarHBondContact O-N 3.04Å; E655-P658 HydrophobicContact CB-CG 4.18Å; E655-P658 WeakPolarHBondContact O-CD 3.39Å; E655-L659 WeakPolarHBondContact O-CB 3.48Å; E655-L659 VanDerWaalsContact O-CG 3.25Å; E655-L659 WeakPolarHBondContact O-CG 3.47Å; E655-L659 PolarHBondContact O-N 3.33Å
656D97.2Very high96.3Very high138 Ų13854.2 Ų54.274%0.73827%0.271SS*.Hα-helixtrans-59.8-38.2-174.1-70.3-27000113.6K660D656-K660 WeakPolarHBondContact O-CB 3.48Å; D656-K660 PolarHBondContact O-N 2.88Å
657V97.7Very high96.5Very high57 Ų5758.9 Ų58.935%0.34529%0.293SS..Hα-helixtrans-67.9-55.3-175.41740000111.9Y519 E655 L659 K660 N661Y519-V657 HydrophobicContact CD1-CB 4.39Å; Y519-V657 HydrophobicContact CD1-CG1 4.44Å; Y519-V657 HydrophobicContact CD2-CB 3.76Å; Y519-V657 HydrophobicContact CD2-CG1 3.67Å; Y519-V657 HydrophobicContact CD2-CG2 3.87Å; Y519-V657 HydrophobicContact CE1-CB 4.48Å; Y519-V657 HydrophobicContact CE2-CB 3.86Å; Y519-V657 HydrophobicContact CE2-CG1 4.3Å; Y519-V657 HydrophobicContact CE2-CG2 3.71Å; Y519-V657 HydrophobicContact CG-CB 4.03Å; Y519-V657 HydrophobicContact CG-CG1 3.74Å; E655-V657 VanDerWaalsContact C-N 3.32Å; E655-V657 PolarHBondContact O-N 3.04Å; V657-L659 VanDerWaalsContact C-N 3.32Å; V657-L659 PolarHBondContact O-N 3.11Å; V657-K660 PolarHBondContact O-N 3.16Å; V657-N661 VanDerWaalsContact O-CG 3.25Å; V657-N661 PolarHBondContact O-N 3.43Å; V657-N661 PolarHBondContact O-ND2 2.98Å
658P97.6Very high96.6Very high0 Ų058.8 Ų58.80%029%0.29CS..Hα-helixtrans-55.7-42.5171.7-21.826.9000113.6T516 Y519 Y520 F653 E655 K660 N661 I662T516-P658 HydrophobicContact CG2-CB 4.41Å; Y519-P658 HydrophobicContact CD1-CG 4.32Å; Y519-P658 HydrophobicContact CE1-CG 4.5Å; Y520-P658 HydrophobicContact CE2-CG 3.98Å; Y520-P658 WeakPolarHBondContact OH-CG 3.17Å; F653-P658 HydrophobicContact CB-CB 3.82Å; F653-P658 HydrophobicContact CB-CG 4.47Å; F653-P658 HydrophobicContact CD1-CB 3.71Å; F653-P658 HydrophobicContact CD1-CG 3.84Å; F653-P658 HydrophobicContact CD2-CB 3.94Å; F653-P658 HydrophobicContact CE1-CB 4.22Å; F653-P658 HydrophobicContact CE1-CG 4.27Å; F653-P658 HydrophobicContact CE2-CB 4.42Å; F653-P658 HydrophobicContact CG-CB 3.54Å; F653-P658 HydrophobicContact CG-CG 4.18Å; E655-P658 HydrophobicContact CB-CG 4.18Å; E655-P658 WeakPolarHBondContact O-CD 3.39Å; P658-K660 VanDerWaalsContact C-N 3.34Å; P658-K660 PolarHBondContact O-N 3.04Å; P658-N661 PolarHBondContact O-N 2.92Å; P658-I662 WeakPolarHBondContact O-CG1 3.45Å; P658-I662 PolarHBondContact O-N 3.14Å
659L97.8Very high96.9Very high56 Ų5657.3 Ų57.329%0.29328%0.284SS..Hα-helixtrans-62.9-40.4178.6-70.7174.8000112Q651 F653 E655 V657 I662 K663Q651-L659 HydrophobicContact CG-CD2 4.14Å; F653-L659 HydrophobicContact CB-CD2 4.48Å; E655-L659 WeakPolarHBondContact O-CB 3.48Å; E655-L659 VanDerWaalsContact O-CG 3.25Å; E655-L659 WeakPolarHBondContact O-CG 3.47Å; E655-L659 PolarHBondContact O-N 3.33Å; V657-L659 VanDerWaalsContact C-N 3.32Å; V657-L659 PolarHBondContact O-N 3.11Å; L659-I662 PolarHBondContact O-N 3.02Å; L659-K663 PolarHBondContact O-N 2.91Å; L659-K663 VanDerWaalsContact O-N 3.09Å
660K98.4Very high97.3Very high143 Ų14357.3 Ų57.362%0.62228%0.28SS*.Hα-helixtrans-64.6-41.7172.9-176.6-179.7177.8-176.70111.6D656 V657 P658 I662 K663 V664D656-K660 WeakPolarHBondContact O-CB 3.48Å; D656-K660 PolarHBondContact O-N 2.88Å; V657-K660 PolarHBondContact O-N 3.16Å; P658-K660 VanDerWaalsContact C-N 3.34Å; P658-K660 PolarHBondContact O-N 3.04Å; K660-I662 VanDerWaalsContact C-N 3.34Å; K660-I662 PolarHBondContact O-N 3.26Å; K660-K663 WeakPolarHBondContact O-CB 3.3Å; K660-K663 PolarHBondContact O-N 3.04Å; K660-V664 WeakPolarHBondContact O-CG2 3.32Å; K660-V664 PolarHBondContact O-N 3.17Å
661N98.5Very high97.6Very high34 Ų3459.5 Ų59.518%0.18229%0.29CS..Hα-helixtrans-63.4-39.9177.4-68.1-18.3000111.7F512 G515 T516 V657 P658 K663 V664 F665F512-N661 HydrophobicContact CD2-CB 4.06Å; F512-N661 HydrophobicContact CE2-CB 4.2Å; G515-N661 PolarHBondContact O-ND2 2.93Å; G515-N661 VanDerWaalsContact O-ND2 3.07Å; T516-N661 PolarHBondContact N-ND2 3.23Å; T516-N661 PolarHBondContact OG1-ND2 3.34Å; V657-N661 VanDerWaalsContact O-CG 3.25Å; V657-N661 PolarHBondContact O-N 3.43Å; V657-N661 PolarHBondContact O-ND2 2.98Å; P658-N661 PolarHBondContact O-N 2.92Å; N661-K663 VanDerWaalsContact C-N 3.32Å; N661-K663 PolarHBondContact O-N 3.42Å; N661-V664 PolarHBondContact O-N 3.45Å; N661-F665 VanDerWaalsContact O-CB 3.27Å; N661-F665 WeakPolarHBondContact O-CB 3.24Å; N661-F665 PolarHBondContact O-N 3.24Å
662I98.5Very high97.9Very high36 Ų3656.3 Ų56.319%0.18528%0.275CS..Hα-helixtrans-59.7-44.2173-70.8167.4000110.7F512 Y648 F653 P658 L659 K660 F665 K666F512-I662 HydrophobicContact CE2-CB 4.5Å; F512-I662 HydrophobicContact CE2-CG1 3.73Å; F512-I662 HydrophobicContact CZ-CG1 3.95Å; Y648-I662 HydrophobicContact CD2-CB 4.45Å; Y648-I662 HydrophobicContact CD2-CD1 4.06Å; Y648-I662 HydrophobicContact CD2-CG1 3.95Å; Y648-I662 HydrophobicContact CD2-CG2 3.69Å; Y648-I662 HydrophobicContact CE2-CG1 4.13Å; Y648-I662 HydrophobicContact CE2-CG2 4.21Å; F653-I662 HydrophobicContact CD2-CD1 4.18Å; P658-I662 WeakPolarHBondContact O-CG1 3.45Å; P658-I662 PolarHBondContact O-N 3.14Å; L659-I662 PolarHBondContact O-N 3.02Å; K660-I662 VanDerWaalsContact C-N 3.34Å; K660-I662 PolarHBondContact O-N 3.26Å; I662-F665 WeakPolarHBondContact O-CB 3.46Å; I662-F665 PolarHBondContact O-N 3.42Å; I662-K666 PolarHBondContact O-N 2.92Å
663K98.4Very high98.1Very high131 Ų13155.7 Ų55.757%0.5727%0.274SS*.Hα-helixtrans-61.4-48.6177.4-179.2179.3170.7-179.60111.7L659 K660 N661 F665 K666 E667L659-K663 PolarHBondContact O-N 2.91Å; L659-K663 VanDerWaalsContact O-N 3.09Å; K660-K663 WeakPolarHBondContact O-CB 3.3Å; K660-K663 PolarHBondContact O-N 3.04Å; N661-K663 VanDerWaalsContact C-N 3.32Å; N661-K663 PolarHBondContact O-N 3.42Å; K663-F665 VanDerWaalsContact C-N 3.33Å; K663-F665 PolarHBondContact O-N 3.25Å; K663-K666 PolarHBondContact O-N 3.47Å; K663-E667 WeakPolarHBondContact CE-OE1 3.2Å; K663-E667 IonicContact NZ-OE1 3.35Å; K663-E667 WeakPolarHBondContact O-CG 3.19Å; K663-E667 PolarHBondContact O-N 3Å
664V98.7Very high98.2Very high56 Ų5661 Ų6134%0.33930%0.302SS..Hα-helixtrans-61.9-42.5177.8172.40000110.9K660 N661 K666 E667 Q668K660-V664 WeakPolarHBondContact O-CG2 3.32Å; K660-V664 PolarHBondContact O-N 3.17Å; N661-V664 PolarHBondContact O-N 3.45Å; V664-K666 VanDerWaalsContact C-N 3.35Å; V664-K666 PolarHBondContact O-N 3.46Å; V664-E667 PolarHBondContact O-N 2.84Å; V664-Q668 HydrophobicContact CG1-CG 4.32Å; V664-Q668 WeakPolarHBondContact O-CG 3.31Å; V664-Q668 PolarHBondContact O-N 2.87Å
665F98.8Very high98.4Very high1 Ų163.6 Ų63.60%0.00431%0.313CS..Hα-helixtrans-56.2-49175.5178.6-123.7000111.2I508 I509 F512 L645 G646 Y648 N661 I662 K663 E667 Q668 L669I508-F665 HydrophobicContact CG2-CD2 3.55Å; I508-F665 HydrophobicContact CG2-CE2 3.68Å; I509-F665 HydrophobicContact CG1-CE2 3.89Å; I509-F665 HydrophobicContact CG1-CZ 4.06Å; F512-F665 HydrophobicContact CB-CB 4Å; F512-F665 HydrophobicContact CB-CD2 3.54Å; F512-F665 HydrophobicContact CB-CE2 4.15Å; F512-F665 HydrophobicContact CB-CG 3.85Å; F512-F665 HydrophobicContact CD1-CD1 4.07Å; F512-F665 HydrophobicContact CD1-CD2 4.19Å; F512-F665 HydrophobicContact CD1-CE1 4.21Å; F512-F665 HydrophobicContact CD1-CE2 4.33Å; F512-F665 HydrophobicContact CD1-CG 4.05Å; F512-F665 HydrophobicContact CD1-CZ 4.34Å; F512-F665 HydrophobicContact CD2-CB 3.79Å; F512-F665 HydrophobicContact CD2-CG 4.11Å; F512-F665 HydrophobicContact CE1-CD1 4.33Å; F512-F665 HydrophobicContact CE1-CE1 4.47Å; F512-F665 HydrophobicContact CE2-CB 4.48Å; F512-F665 HydrophobicContact CG-CB 3.88Å; F512-F665 HydrophobicContact CG-CD1 4.16Å; F512-F665 AromaticContact CG-CD2 3.89Å; F512-F665 HydrophobicContact CG-CD2 3.89Å; F512-F665 HydrophobicContact CG-CE2 4.44Å; F512-F665 AromaticContact CG-CG 3.73Å; F512-F665 HydrophobicContact CG-CG 3.73Å; L645-F665 HydrophobicContact CD1-CE1 4.24Å; L645-F665 HydrophobicContact CD1-CZ 3.95Å; L645-F665 HydrophobicContact CD2-CZ 4.18Å; L645-F665 HydrophobicContact CG-CE1 4.19Å; L645-F665 HydrophobicContact CG-CZ 3.81Å; G646-F665 VanDerWaalsContact CA-CE1 3.48Å; Y648-F665 HydrophobicContact CE2-CD1 4.25Å; Y648-F665 HydrophobicContact CE2-CE1 4.4Å; Y648-F665 WeakPolarHBondContact OH-CE1 3.49Å; N661-F665 VanDerWaalsContact O-CB 3.27Å; N661-F665 WeakPolarHBondContact O-CB 3.24Å; N661-F665 PolarHBondContact O-N 3.24Å; I662-F665 WeakPolarHBondContact O-CB 3.46Å; I662-F665 PolarHBondContact O-N 3.42Å; K663-F665 VanDerWaalsContact C-N 3.33Å; K663-F665 PolarHBondContact O-N 3.25Å; F665-E667 VanDerWaalsContact C-N 3.35Å; F665-E667 PolarHBondContact O-N 3.46Å; F665-Q668 PolarHBondContact O-N 2.97Å; F665-L669 HydrophobicContact CD1-CD1 4.04Å; F665-L669 HydrophobicContact CD2-CD1 4.34Å; F665-L669 HydrophobicContact CD2-CG 4.37Å; F665-L669 HydrophobicContact CE1-CD1 3.69Å; F665-L669 HydrophobicContact CE2-CD1 4.01Å; F665-L669 HydrophobicContact CE2-CD2 4.23Å; F665-L669 HydrophobicContact CE2-CG 4.16Å; F665-L669 HydrophobicContact CG-CD1 4.36Å; F665-L669 HydrophobicContact CZ-CD1 3.68Å; F665-L669 HydrophobicContact CZ-CD2 4.42Å; F665-L669 HydrophobicContact CZ-CG 4.31Å; F665-L669 VanDerWaalsContact O-CG 3.3Å; F665-L669 WeakPolarHBondContact O-CG 3.47Å; F665-L669 PolarHBondContact O-N 3.36Å
666K98.5Very high98.5Very high92 Ų9262.6 Ų62.640%0.431%0.309SS..Hα-helixtrans-62.1-39.1176.6-172.3168.7-175.1164.80112.9I662 K663 V664 N670I662-K666 PolarHBondContact O-N 2.92Å; K663-K666 PolarHBondContact O-N 3.47Å; V664-K666 VanDerWaalsContact C-N 3.35Å; V664-K666 PolarHBondContact O-N 3.46Å; K666-N670 PolarHBondContact O-N 2.92Å; K666-N670 PolarHBondContact O-ND2 2.95Å
667E98.7Very high98.5Very high100 Ų10059.4 Ų59.447%0.46729%0.288SS..Hα-helixtrans-63.7-44.3175.9-72.8169177.200111.8K663 V664 F665 N670 E671K663-E667 WeakPolarHBondContact CE-OE1 3.2Å; K663-E667 IonicContact NZ-OE1 3.35Å; K663-E667 WeakPolarHBondContact O-CG 3.19Å; K663-E667 PolarHBondContact O-N 3Å; V664-E667 PolarHBondContact O-N 2.84Å; F665-E667 VanDerWaalsContact C-N 3.35Å; F665-E667 PolarHBondContact O-N 3.46Å; E667-N670 PolarHBondContact O-N 3.25Å; E667-E671 PolarHBondContact O-N 2.91Å
668Q98.8Very high98.6Very high61 Ų6159.7 Ų59.729%0.28530%0.296SS..Hα-helixtrans-66-38.6177.5-69.8-177.2-55.200112.6I508 V664 F665 E671 L672I508-Q668 HydrophobicContact CD1-CB 4.23Å; I508-Q668 HydrophobicContact CG1-CB 4.13Å; I508-Q668 HydrophobicContact CG2-CB 3.79Å; V664-Q668 HydrophobicContact CG1-CG 4.32Å; V664-Q668 WeakPolarHBondContact O-CG 3.31Å; V664-Q668 PolarHBondContact O-N 2.87Å; F665-Q668 PolarHBondContact O-N 2.97Å; Q668-E671 PolarHBondContact O-N 2.89Å; Q668-L672 PolarHBondContact O-N 3.09Å
669L98.9Very high98.6Very high3 Ų362.3 Ų62.32%0.01631%0.306CS..Hα-helixtrans-63.1-43.8173.8-70.1175.3000111.7L505 I508 L645 F665 E671 L672 S673 P692L505-L669 HydrophobicContact CD2-CD2 3.57Å; I508-L669 HydrophobicContact CG2-CD2 4.04Å; I508-L669 HydrophobicContact CG2-CG 4.26Å; L645-L669 HydrophobicContact CB-CD1 4.3Å; L645-L669 HydrophobicContact CD2-CD1 4.34Å; L645-L669 HydrophobicContact CD2-CD2 4.01Å; L645-L669 HydrophobicContact CG-CD1 3.93Å; L645-L669 HydrophobicContact CG-CD2 4.5Å; L645-L669 WeakPolarHBondContact O-CD1 3.29Å; F665-L669 HydrophobicContact CD1-CD1 4.04Å; F665-L669 HydrophobicContact CD2-CD1 4.34Å; F665-L669 HydrophobicContact CD2-CG 4.37Å; F665-L669 HydrophobicContact CE1-CD1 3.69Å; F665-L669 HydrophobicContact CE2-CD1 4.01Å; F665-L669 HydrophobicContact CE2-CD2 4.23Å; F665-L669 HydrophobicContact CE2-CG 4.16Å; F665-L669 HydrophobicContact CG-CD1 4.36Å; F665-L669 HydrophobicContact CZ-CD1 3.68Å; F665-L669 HydrophobicContact CZ-CD2 4.42Å; F665-L669 HydrophobicContact CZ-CG 4.31Å; F665-L669 VanDerWaalsContact O-CG 3.3Å; F665-L669 WeakPolarHBondContact O-CG 3.47Å; F665-L669 PolarHBondContact O-N 3.36Å; L669-E671 VanDerWaalsContact C-N 3.31Å; L669-E671 PolarHBondContact O-N 3.17Å; L669-L672 PolarHBondContact O-N 2.75Å; L669-S673 PolarHBondContact O-N 3.31Å; L669-P692 HydrophobicContact CB-CB 3.91Å; L669-P692 HydrophobicContact CB-CG 4.22Å; L669-P692 HydrophobicContact CD2-CB 4.07Å; L669-P692 HydrophobicContact CD2-CG 3.98Å; L669-P692 HydrophobicContact CG-CB 4.47Å; L669-P692 WeakPolarHBondContact O-CG 3.28Å
670N98.7Very high98.6Very high83 Ų8360.4 Ų60.444%0.44430%0.296SS..Hα-helixtrans-61.6-40.9175.7-69.5-25.3000111.7K666 E667 S673 L674K666-N670 PolarHBondContact O-N 2.92Å; K666-N670 PolarHBondContact O-ND2 2.95Å; E667-N670 PolarHBondContact O-N 3.25Å; N670-S673 PolarHBondContact O-N 3.45Å; N670-L674 WeakPolarHBondContact O-CG 3.29Å; N670-L674 PolarHBondContact O-N 3.42Å; N670-L674 VanDerWaalsContact O-N 3.12Å
671E98.8Very high98.6Very high115 Ų11562.4 Ų62.454%0.53731%0.305SS..Hα-helixtrans-61.8-44.5175.4-172-178.9171.600111.5E667 Q668 L669 S673 L674 Q675E667-E671 PolarHBondContact O-N 2.91Å; Q668-E671 PolarHBondContact O-N 2.89Å; L669-E671 VanDerWaalsContact C-N 3.31Å; L669-E671 PolarHBondContact O-N 3.17Å; E671-S673 PolarHBondContact O-N 2.92Å; E671-L674 PolarHBondContact O-N 2.98Å; E671-Q675 WeakPolarHBondContact O-CG 3.01Å; E671-Q675 PolarHBondContact O-N 2.82Å
672L98.8Very high98.5Very high4 Ų465.1 Ų65.12%0.02133%0.332CS..Hα-helixtrans-61.3-44.2176.6-179.562.5000112K504 L505 I508 Q668 L669 L674 Q675 I676 P692K504-L672 HydrophobicContact CB-CD1 3.78Å; K504-L672 HydrophobicContact CB-CD2 4.16Å; K504-L672 HydrophobicContact CD-CD1 3.44Å; K504-L672 VanDerWaalsContact CD-CD1 3.44Å; K504-L672 HydrophobicContact CG-CD1 4.28Å; L505-L672 HydrophobicContact CD2-CD2 3.83Å; L505-L672 HydrophobicContact CG-CD2 3.63Å; I508-L672 HydrophobicContact CD1-CB 4.07Å; I508-L672 HydrophobicContact CD1-CD2 4Å; Q668-L672 PolarHBondContact O-N 3.09Å; L669-L672 PolarHBondContact O-N 2.75Å; L672-L674 VanDerWaalsContact C-N 3.31Å; L672-L674 PolarHBondContact O-N 2.83Å; L672-Q675 WeakPolarHBondContact O-CB 3.38Å; L672-Q675 PolarHBondContact O-N 2.94Å; L672-Q675 VanDerWaalsContact O-N 3.09Å; L672-I676 HydrophobicContact CD1-CD1 4.1Å; L672-I676 HydrophobicContact CD1-CG1 4.18Å; L672-I676 HydrophobicContact CD2-CD1 4.32Å; L672-I676 HydrophobicContact CG-CD1 3.83Å; L672-I676 HydrophobicContact CG-CG1 4.32Å; L672-I676 WeakPolarHBondContact O-CG1 3.35Å; L672-I676 PolarHBondContact O-N 2.92Å; L672-P692 HydrophobicContact CB-CG 4.27Å; L672-P692 HydrophobicContact CD2-CG 4.06Å; L672-P692 HydrophobicContact CG-CG 4.31Å
673S98.8Very high98.3Very high2 Ų265.8 Ų65.81%0.01434%0.336CS..Hα-helixtrans-56.5-45.4176.3-178.20000111.5L669 N670 E671 Q675 I676 K677 D691L669-S673 PolarHBondContact O-N 3.31Å; N670-S673 PolarHBondContact O-N 3.45Å; E671-S673 PolarHBondContact O-N 2.92Å; S673-Q675 VanDerWaalsContact C-N 3.32Å; S673-Q675 PolarHBondContact O-N 2.93Å; S673-I676 PolarHBondContact O-N 2.89Å; S673-K677 WeakPolarHBondContact O-CB 3.49Å; S673-K677 VanDerWaalsContact O-CG 3.28Å; S673-K677 WeakPolarHBondContact O-CG 3.49Å; S673-K677 PolarHBondContact O-N 2.86Å; S673-K677 WeakPolarHBondContact OG-CE 3.07Å; S673-D691 WeakPolarHBondContact CB-OD1 3.37Å; S673-D691 PolarHBondContact OG-OD1 3.06Å; S673-D691 PolarHBondContact OG-OD2 3.05Å
674L98.8Very high98.1Very high119 Ų11967 Ų6762%0.62334%0.344SS*.Hα-helixtrans-60.8-40.2176.1-68173.6000112.3N670 E671 L672 A678N670-L674 WeakPolarHBondContact O-CG 3.29Å; N670-L674 PolarHBondContact O-N 3.42Å; N670-L674 VanDerWaalsContact O-N 3.12Å; E671-L674 PolarHBondContact O-N 2.98Å; L672-L674 VanDerWaalsContact C-N 3.31Å; L672-L674 PolarHBondContact O-N 2.83Å; L674-A678 WeakPolarHBondContact O-CB 3.27Å; L674-A678 PolarHBondContact O-N 3.23Å
675Q98.7Very high98Very high82 Ų8265.1 Ų65.138%0.38333%0.331SS..Hα-helixtrans-65.4-46176.2-67.2176.817.500112E671 L672 S673 A678 R679E671-Q675 WeakPolarHBondContact O-CG 3.01Å; E671-Q675 PolarHBondContact O-N 2.82Å; L672-Q675 WeakPolarHBondContact O-CB 3.38Å; L672-Q675 PolarHBondContact O-N 2.94Å; L672-Q675 VanDerWaalsContact O-N 3.09Å; S673-Q675 VanDerWaalsContact C-N 3.32Å; S673-Q675 PolarHBondContact O-N 2.93Å; Q675-A678 PolarHBondContact O-N 2.89Å; Q675-R679 WeakPolarHBondContact O-CB 2.99Å; Q675-R679 PolarHBondContact O-N 3.27Å
676I98.7Very high98Very high2 Ų266.6 Ų66.61%0.0134%0.344CS..Hα-helixtrans-61.5-47178.5-71.2172.6000110.1D501 L672 S673 A678 R679 N680 D691D501-I676 HydrophobicContact CB-CD1 3.98Å; L672-I676 HydrophobicContact CD1-CD1 4.1Å; L672-I676 HydrophobicContact CD1-CG1 4.18Å; L672-I676 HydrophobicContact CD2-CD1 4.32Å; L672-I676 HydrophobicContact CG-CD1 3.83Å; L672-I676 HydrophobicContact CG-CG1 4.32Å; L672-I676 WeakPolarHBondContact O-CG1 3.35Å; L672-I676 PolarHBondContact O-N 2.92Å; S673-I676 PolarHBondContact O-N 2.89Å; I676-A678 VanDerWaalsContact C-N 3.32Å; I676-A678 PolarHBondContact O-N 2.82Å; I676-R679 PolarHBondContact O-N 3Å; I676-N680 WeakPolarHBondContact CG2-ND2 3.42Å; I676-N680 WeakPolarHBondContact O-CB 3.12Å; I676-N680 VanDerWaalsContact O-CG 3.27Å; I676-N680 PolarHBondContact O-N 3.02Å; I676-D691 HydrophobicContact CG2-CB 4.33Å
677K98.6Very high97.9Very high71 Ų7162.3 Ų62.331%0.30933%0.325SS..Hα-helixtrans-61.1-39.4176.3-72172.3178.8-177.10112.6S673 K681 D691 E693S673-K677 WeakPolarHBondContact O-CB 3.49Å; S673-K677 VanDerWaalsContact O-CG 3.28Å; S673-K677 WeakPolarHBondContact O-CG 3.49Å; S673-K677 PolarHBondContact O-N 2.86Å; S673-K677 WeakPolarHBondContact OG-CE 3.07Å; K677-K681 WeakPolarHBondContact O-CG 3.5Å; K677-K681 PolarHBondContact O-N 3.45Å; K677-D691 VanDerWaalsContact CE-OD2 3.25Å; K677-D691 WeakPolarHBondContact CE-OD2 3.47Å; K677-E693 IonicContact NZ-OE1 3.99Å; K677-E693 PolarHBondContact NZ-OE1 3.33Å; K677-E693 IonicContact NZ-OE2 3.06Å; K677-E693 PolarHBondContact NZ-OE2 2.65Å
678A98.5Very high97.9Very high62 Ų6259.9 Ų59.951%0.51232%0.317SS..Hα-helixtrans-65.8-43.8175.900000111.8L674 Q675 I676L674-A678 WeakPolarHBondContact O-CB 3.27Å; L674-A678 PolarHBondContact O-N 3.23Å; Q675-A678 PolarHBondContact O-N 2.89Å; I676-A678 VanDerWaalsContact C-N 3.32Å; I676-A678 PolarHBondContact O-N 2.82Å
679R98.1Very high97.8Very high55 Ų5557.3 Ų57.321%0.20831%0.305CS..Hα-helixtrans-60.4-48.3175.2-174.7-80.5-55.5-791.4111.1D501 Q675 I676 K681 A682 L683 Y687D501-R679 IonicContact OD1-CZ 3.07Å; D501-R679 IonicContact OD1-NH1 3.92Å; D501-R679 PolarHBondContact OD1-NH1 2.78Å; D501-R679 IonicContact OD1-NH2 2.65Å; D501-R679 PolarHBondContact OD1-NH2 2.85Å; D501-R679 IonicContact OD2-CZ 3.43Å; D501-R679 IonicContact OD2-NH1 3.51Å; D501-R679 IonicContact OD2-NH2 2.96Å; D501-R679 PolarHBondContact OD2-NH2 2.94Å; Q675-R679 WeakPolarHBondContact O-CB 2.99Å; Q675-R679 PolarHBondContact O-N 3.27Å; I676-R679 PolarHBondContact O-N 3Å; R679-K681 VanDerWaalsContact C-N 3.28Å; R679-K681 PolarHBondContact O-N 3.47Å; R679-A682 PolarHBondContact O-N 2.84Å; R679-A682 VanDerWaalsContact O-N 3.1Å; R679-L683 VanDerWaalsContact CD-CD1 3.44Å; R679-Y687 PolarHBondContact NH2-O 3.24Å
680N98.1Very high97.8Very high17 Ų1757.1 Ų57.19%0.09130%0.304CS..Hα-helixtrans-63.7-28.3-175.9-76.2-12.3000113.7I676 A682 L683 A686 Y687I676-N680 WeakPolarHBondContact CG2-ND2 3.42Å; I676-N680 WeakPolarHBondContact O-CB 3.12Å; I676-N680 VanDerWaalsContact O-CG 3.27Å; I676-N680 PolarHBondContact O-N 3.02Å; N680-A682 PolarHBondContact O-N 2.72Å; N680-L683 PolarHBondContact O-N 3.26Å; N680-L683 VanDerWaalsContact O-N 3.12Å; N680-A686 HydrophobicContact CB-CB 3.84Å; N680-Y687 PolarHBondContact ND2-O 2.89Å; N680-Y687 PolarHBondContact OD1-N 2.8Å; N680-Y687 PolarHBondContact OD1-O 2.83Å
681K97.6Very high97.8Very high184 Ų18453.7 Ų53.780%0.829%0.286SS*.THydrogen-bonded Turntrans-61.6-22174.7-74.5172.3-174.5-179.80114K677 R679K677-K681 WeakPolarHBondContact O-CG 3.5Å; K677-K681 PolarHBondContact O-N 3.45Å; R679-K681 VanDerWaalsContact C-N 3.28Å; R679-K681 PolarHBondContact O-N 3.47Å
682A96.3Very high97.8Very high91 Ų9148.6 Ų48.675%0.75226%0.262SS*.THydrogen-bonded Turntrans-98.3-3.7179.700000113.1R679 N680R679-A682 PolarHBondContact O-N 2.84Å; R679-A682 VanDerWaalsContact O-N 3.1Å; N680-A682 PolarHBondContact O-N 2.72Å
683L96Very high97.7Very high50 Ų5053.3 Ų53.326%0.26228%0.284SS..  trans-93.5144.7179.5-60.8-176.3000110.6F497 R679 N680 L685F497-L683 HydrophobicContact CD2-CD1 4.03Å; F497-L683 HydrophobicContact CE1-CD1 4.29Å; F497-L683 HydrophobicContact CE1-CD2 4.42Å; F497-L683 HydrophobicContact CE2-CD1 3.47Å; F497-L683 VanDerWaalsContact CE2-CD1 3.47Å; F497-L683 HydrophobicContact CE2-CD2 4.12Å; F497-L683 HydrophobicContact CE2-CG 4.45Å; F497-L683 HydrophobicContact CZ-CD1 3.62Å; F497-L683 HydrophobicContact CZ-CD2 3.6Å; F497-L683 HydrophobicContact CZ-CG 4.28Å; R679-L683 VanDerWaalsContact CD-CD1 3.44Å; N680-L683 PolarHBondContact O-N 3.26Å; N680-L683 VanDerWaalsContact O-N 3.12Å; L683-L685 VanDerWaalsContact C-N 3.33Å; L683-L685 WeakPolarHBondContact CB-O 3.32Å
684E94Very high97.5Very high158 Ų15856 Ų5674%0.73830%0.301SS*.SBendtrans-66.6-39.1168.7-176.8176.2-167.200111.3Y256Y256-E684 HydrophobicContact CE2-CG 3.71Å
685L96.4Very high97.5Very high15 Ų1550.3 Ų50.38%0.07927%0.271CS..SBendtrans-123.3112.5173.1-170.965.3000109.6I253 Y256 F266 Y269 L683I253-L685 HydrophobicContact CB-CD1 4.31Å; I253-L685 HydrophobicContact CG1-CD1 3.95Å; I253-L685 HydrophobicContact CG2-CD1 4.12Å; Y256-L685 HydrophobicContact CD1-CB 4.48Å; Y256-L685 HydrophobicContact CD1-CD1 3.88Å; Y256-L685 HydrophobicContact CD1-CD2 3.73Å; Y256-L685 HydrophobicContact CD1-CG 4.25Å; Y256-L685 HydrophobicContact CD2-CD1 4.32Å; Y256-L685 HydrophobicContact CE1-CB 4.32Å; Y256-L685 HydrophobicContact CE1-CD2 3.88Å; Y256-L685 HydrophobicContact CE1-CG 4.49Å; Y256-L685 HydrophobicContact CG-CD1 3.75Å; Y256-L685 HydrophobicContact CG-CD2 4.45Å; F266-L685 HydrophobicContact CE2-CD2 3.87Å; Y269-L685 HydrophobicContact CD1-CD2 4.46Å; Y269-L685 HydrophobicContact CE1-CD2 3.65Å; L683-L685 VanDerWaalsContact C-N 3.33Å; L683-L685 WeakPolarHBondContact CB-O 3.32Å
686A97.4Very high97.4Very high33 Ų3347.3 Ų47.327%0.27326%0.257SS..  trans-67.7143.2178.600000111.7N680 T688N680-A686 HydrophobicContact CB-CB 3.84Å; A686-T688 HydrophobicContact CB-CG2 4.17Å
687Y98.2Very high97.4Very high1 Ų147.4 Ų47.40%0.00426%0.257CS..  trans-108.1110.8167.6-177-94.6000109.1N273 F497 D501 R679 N680 Y689 L690N273-Y687 HydrophobicContact CB-CD2 4.08Å; F497-Y687 HydrophobicContact CB-CD1 3.68Å; F497-Y687 HydrophobicContact CB-CD2 4.48Å; F497-Y687 HydrophobicContact CB-CE1 4.44Å; F497-Y687 HydrophobicContact CB-CG 3.71Å; D501-Y687 WeakPolarHBondContact OD2-CD1 3.31Å; R679-Y687 PolarHBondContact NH2-O 3.24Å; N680-Y687 PolarHBondContact ND2-O 2.89Å; N680-Y687 PolarHBondContact OD1-N 2.8Å; N680-Y687 PolarHBondContact OD1-O 2.83Å; Y687-Y689 AromaticContact CD2-CD2 3.94Å; Y687-Y689 HydrophobicContact CD2-CD2 3.94Å; Y687-Y689 HydrophobicContact CD2-CE2 4.31Å; Y687-Y689 AromaticContact CE2-CD2 3.55Å; Y687-Y689 HydrophobicContact CE2-CD2 3.55Å; Y687-Y689 HydrophobicContact CE2-CE2 4.25Å; Y687-Y689 HydrophobicContact CE2-CG 4.47Å; Y687-L690 HydrophobicContact CE1-CB 4.13Å; Y687-L690 HydrophobicContact CE1-CD1 4.11Å; Y687-L690 HydrophobicContact CE1-CG 4.14Å
688T97.4Very high97.4Very high49 Ų4944.1 Ų44.130%0.30124%0.244SC..  trans-117.9-9.9-169.3530000114A686 L690 D691 V694A686-T688 HydrophobicContact CB-CG2 4.17Å; T688-L690 PolarHBondContact O-N 3.27Å; T688-D691 VanDerWaalsContact O-CB 3.32Å; T688-D691 WeakPolarHBondContact O-CB 3.41Å; T688-D691 PolarHBondContact O-N 2.75Å; T688-V694 VanDerWaalsContact O-CG2 3.31Å; T688-V694 WeakPolarHBondContact O-CG2 3.37Å
689Y98Very high97.3Very high7 Ų741.2 Ų41.23%0.02722%0.219CC..THydrogen-bonded Turntrans-70-6.9-170-47.4-49.9000115.1I253 S579 A583 G584 D587 F588 Y687I253-Y689 HydrophobicContact CD1-CE1 4.47Å; I253-Y689 VanDerWaalsContact CD1-OH 3.31Å; I253-Y689 WeakPolarHBondContact CD1-OH 3.48Å; S579-Y689 PolarHBondContact OG-O 2.82Å; A583-Y689 HydrophobicContact CB-CD1 3.72Å; A583-Y689 HydrophobicContact CB-CE1 4.49Å; A583-Y689 HydrophobicContact CB-CG 4.35Å; G584-Y689 VanDerWaalsContact CA-CE1 3.42Å; G584-Y689 VanDerWaalsContact CA-CZ 3.43Å; D587-Y689 WeakPolarHBondContact CB-OH 3.34Å; D587-Y689 WeakPolarHBondContact OD2-CE1 3.45Å; D587-Y689 PolarHBondContact OD2-OH 3.18Å; F588-Y689 AromaticContact CE2-CE2 3.77Å; F588-Y689 HydrophobicContact CE2-CE2 3.77Å; F588-Y689 AromaticContact CE2-CZ 3.93Å; F588-Y689 VanDerWaalsContact CE2-OH 3.25Å; F588-Y689 WeakPolarHBondContact CE2-OH 3.26Å; Y687-Y689 AromaticContact CD2-CD2 3.94Å; Y687-Y689 HydrophobicContact CD2-CD2 3.94Å; Y687-Y689 HydrophobicContact CD2-CE2 4.31Å; Y687-Y689 AromaticContact CE2-CD2 3.55Å; Y687-Y689 HydrophobicContact CE2-CD2 3.55Å; Y687-Y689 HydrophobicContact CE2-CE2 4.25Å; Y687-Y689 HydrophobicContact CE2-CG 4.47Å
690L98.6Very high97.1Very high0 Ų038.6 Ų38.60%021%0.209CC..THydrogen-bonded Turntrans-120.214.4173.3-72.1178.8000112.3Y498 D501 L505 A576 A580 Y687 T688 P692Y498-L690 HydrophobicContact CD2-CD1 4Å; Y498-L690 WeakPolarHBondContact O-CD1 3.15Å; D501-L690 HydrophobicContact CB-CB 3.87Å; D501-L690 HydrophobicContact CB-CD1 4.16Å; L505-L690 HydrophobicContact CD1-CB 3.96Å; L505-L690 HydrophobicContact CD1-CD2 3.84Å; L505-L690 HydrophobicContact CD1-CG 4.41Å; L505-L690 WeakPolarHBondContact CD1-O 3.33Å; A576-L690 HydrophobicContact CB-CD2 3.93Å; A576-L690 VanDerWaalsContact O-CD2 3.23Å; A576-L690 WeakPolarHBondContact O-CD2 3.34Å; A580-L690 HydrophobicContact CB-CD1 4.4Å; A580-L690 HydrophobicContact CB-CD2 3.83Å; A580-L690 HydrophobicContact CB-CG 4.05Å; Y687-L690 HydrophobicContact CE1-CB 4.13Å; Y687-L690 HydrophobicContact CE1-CD1 4.11Å; Y687-L690 HydrophobicContact CE1-CG 4.14Å; T688-L690 PolarHBondContact O-N 3.27Å; L690-P692 WeakPolarHBondContact O-CD 3.45Å
691D98.5Very high96.7Very high10 Ų1038.4 Ų38.45%0.05321%0.209CC..  trans-65.7123.1167.2-170.8-25.2000108.6S673 I676 K677 T688 E693 V694 V695S673-D691 WeakPolarHBondContact CB-OD1 3.37Å; S673-D691 PolarHBondContact OG-OD1 3.06Å; S673-D691 PolarHBondContact OG-OD2 3.05Å; I676-D691 HydrophobicContact CG2-CB 4.33Å; K677-D691 VanDerWaalsContact CE-OD2 3.25Å; K677-D691 WeakPolarHBondContact CE-OD2 3.47Å; T688-D691 VanDerWaalsContact O-CB 3.32Å; T688-D691 WeakPolarHBondContact O-CB 3.41Å; T688-D691 PolarHBondContact O-N 2.75Å; D691-E693 PolarHBondContact O-N 2.71Å; D691-E693 PolarHBondContact OD1-N 3.08Å; D691-V694 HydrophobicContact CB-CG2 4.32Å; D691-V694 VanDerWaalsContact O-CG2 3.32Å; D691-V694 WeakPolarHBondContact O-CG2 3.27Å; D691-V694 PolarHBondContact O-N 3.09Å; D691-V695 WeakPolarHBondContact O-CG2 3.41Å; D691-V695 PolarHBondContact O-N 3.14Å
692P98.1Very high96.7Very high8 Ų831.2 Ų31.25%0.05218%0.18CC..THydrogen-bonded Turntrans-53-20.8179.6-30.137.4000115.3L505 L669 L672 L690 V694L505-P692 HydrophobicContact CD2-CG 4.14Å; L669-P692 HydrophobicContact CB-CB 3.91Å; L669-P692 HydrophobicContact CB-CG 4.22Å; L669-P692 HydrophobicContact CD2-CB 4.07Å; L669-P692 HydrophobicContact CD2-CG 3.98Å; L669-P692 HydrophobicContact CG-CB 4.47Å; L669-P692 WeakPolarHBondContact O-CG 3.28Å; L672-P692 HydrophobicContact CB-CG 4.27Å; L672-P692 HydrophobicContact CD2-CG 4.06Å; L672-P692 HydrophobicContact CG-CG 4.31Å; L690-P692 WeakPolarHBondContact O-CD 3.45Å; P692-V694 VanDerWaalsContact C-N 3.27Å; P692-V694 PolarHBondContact O-N 2.71Å
693E95.9Very high96.7Very high103 Ų10328 Ų2848%0.48115%0.149SC..THydrogen-bonded Turntrans-70.7-16.4174.3-72.9-174-169.500114.7F644 K677 D691F644-E693 WeakPolarHBondContact CD1-O 3.46Å; F644-E693 VanDerWaalsContact CE1-O 3.3Å; F644-E693 WeakPolarHBondContact CE1-O 3.31Å; F644-E693 WeakPolarHBondContact CZ-O 3.34Å; K677-E693 IonicContact NZ-OE1 3.99Å; K677-E693 PolarHBondContact NZ-OE1 3.33Å; K677-E693 IonicContact NZ-OE2 3.06Å; K677-E693 PolarHBondContact NZ-OE2 2.65Å; D691-E693 PolarHBondContact O-N 2.71Å; D691-E693 PolarHBondContact OD1-N 3.08Å
694V95.3Very high96.7Very high59 Ų5926.8 Ų26.836%0.35814%0.143SC..THydrogen-bonded Turntrans-117.8-6178.3-54.80000113.3S579 T688 D691 P692 E696S579-V694 PolarHBondContact OG-O 2.8Å; T688-V694 VanDerWaalsContact O-CG2 3.31Å; T688-V694 WeakPolarHBondContact O-CG2 3.37Å; D691-V694 HydrophobicContact CB-CG2 4.32Å; D691-V694 VanDerWaalsContact O-CG2 3.32Å; D691-V694 WeakPolarHBondContact O-CG2 3.27Å; D691-V694 PolarHBondContact O-N 3.09Å; P692-V694 VanDerWaalsContact C-N 3.27Å; P692-V694 PolarHBondContact O-N 2.71Å; V694-E696 PolarHBondContact O-N 3.37Å
695V98.2Very high96.9Very high0 Ų019.1 Ų19.10%011%0.108CC..  trans-82.1111.2177.81780000108.9L505 A576 F644 L645 D691L505-V695 HydrophobicContact CD1-CG2 4.5Å; A576-V695 HydrophobicContact CB-CG1 4.4Å; F644-V695 CarbonylContact C-O 3.56Å; F644-V695 VanDerWaalsContact CA-O 3.31Å; F644-V695 WeakPolarHBondContact CA-O 3.31Å; L645-V695 HydrophobicContact CB-CB 4.34Å; L645-V695 HydrophobicContact CB-CG1 4.08Å; L645-V695 WeakPolarHBondContact CB-O 3.2Å; L645-V695 HydrophobicContact CD2-CG1 4.1Å; L645-V695 PolarHBondContact N-O 3.39Å; D691-V695 WeakPolarHBondContact O-CG2 3.41Å; D691-V695 PolarHBondContact O-N 3.14Å
696E98.1Very high96.9Very high18 Ų1819.3 Ų19.38%0.08411%0.11CC..BIsolated β-bridgetrans-69.9154.7173.2-69.9-164.7-154.500112.5S575 S642 F644 V694 S698 S700S575-E696 VanDerWaalsContact CA-O 3.29Å; S575-E696 WeakPolarHBondContact CA-O 3.41Å; S575-E696 WeakPolarHBondContact CB-O 3.4Å; S642-E696 WeakPolarHBondContact CB-OE1 3.45Å; S642-E696 PolarHBondContact OG-OE1 2.86Å; F644-E696 HydrophobicContact CD1-CG 4.33Å; F644-E696 HydrophobicContact CE1-CG 4.41Å; V694-E696 PolarHBondContact O-N 3.37Å; E696-S698 PolarHBondContact O-N 3.22Å; E696-S700 WeakPolarHBondContact OE2-CB 3.27Å; E696-S700 PolarHBondContact OE2-OG 2.81Å
697N97.9Very high96.9Very high4 Ų418.4 Ų18.42%0.02110%0.099CC..SBendtrans-62.5-29.9174.4-79.8-53.7000112.9H430 E643 F644 L645 G646 N647 Y648H430-N697 WeakPolarHBondContact CA-O 3.46Å; H430-N697 PolarHBondContact ND1-O 3.24Å; E643-N697 PolarHBondContact O-N 3.39Å; E643-N697 PolarHBondContact O-ND2 2.84Å; F644-N697 PolarHBondContact O-ND2 3.14Å; F644-N697 PolarHBondContact O-OD1 3.29Å; L645-N697 VanDerWaalsContact CA-OD1 3.28Å; L645-N697 WeakPolarHBondContact CA-OD1 3.34Å; G646-N697 PolarHBondContact N-OD1 3.02Å; N647-N697 PolarHBondContact O-ND2 3.23Å; Y648-N697 VanDerWaalsContact CE1-OD1 3.25Å; Y648-N697 WeakPolarHBondContact CE1-OD1 3.49Å
698S98.1Very high96.8Very high3 Ų319.6 Ų19.62%0.02111%0.106CC..SBendtrans-145.8163.7-169.258.10000111.9H430 R432 C574 E696 S700H430-S698 WeakPolarHBondContact O-CB 3.43Å; R432-S698 WeakPolarHBondContact O-CB 3.4Å; R432-S698 PolarHBondContact O-OG 3.25Å; C574-S698 CarbonylContact O-C 3.38Å; C574-S698 WeakPolarHBondContact O-CA 3.14Å; E696-S698 PolarHBondContact O-N 3.22Å; S698-S700 PolarHBondContact O-N 2.89Å
699V97.8Very high96.7Very high0 Ų017.4 Ų17.40%09%0.091CC..  trans-73.9112.6172-176.60000109.3H403 A406 T434 C574 H578H403-V699 HydrophobicContact CB-CG1 4.48Å; H403-V699 WeakPolarHBondContact CE1-CG1 3.36Å; H403-V699 WeakPolarHBondContact ND1-CG1 3.41Å; A406-V699 HydrophobicContact CB-CB 4.34Å; A406-V699 HydrophobicContact CB-CG2 3.8Å; T434-V699 VanDerWaalsContact CA-O 3.24Å; T434-V699 WeakPolarHBondContact CA-O 3.22Å; T434-V699 HydrophobicContact CG2-CB 4.4Å; T434-V699 PolarHBondContact N-O 3.25Å; T434-V699 PolarHBondContact OG1-O 3.36Å; C574-V699 PolarHBondContact O-N 3.41Å; C574-V699 VanDerWaalsContact O-N 3.16Å; H578-V699 HydrophobicContact CB-CG2 3.95Å
700S93.6Very high96.6Very high0 Ų018.3 Ų18.30%010%0.096CC..  trans-139.9-1.5-166.5100.90000116.4K209 E696 S698K209-S700 VanDerWaalsContact CE-O 3.27Å; K209-S700 WeakPolarHBondContact CE-O 3.16Å; K209-S700 PolarHBondContact NZ-O 2.87Å; E696-S700 WeakPolarHBondContact OE2-CB 3.27Å; E696-S700 PolarHBondContact OE2-OG 2.81Å; S698-S700 PolarHBondContact O-N 2.89Å
701V89.4Confident96.4Very high14 Ų1419.9 Ų19.99%0.08511%0.105CC..  trans-130.60-177.858.70000110.8H403 I437 N582 L635H403-V701 PolarHBondContact CE1-O 3.05Å; I437-V701 WeakPolarHBondContact CD1-OXT 3.32Å; I437-V701 WeakPolarHBondContact CG1-OXT 3.22Å; N582-V701 WeakPolarHBondContact ND2-CG1 3.3Å; L635-V701 VanDerWaalsContact O-CG2 3.28Å; L635-V701 WeakPolarHBondContact O-CG2 3.25Å

Retrieved 701 of 701 residues in 244.5 ms (Link to these results)

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