A0A087YDI2_POEFO Loading...

Integrator complex subunit 6

AlphaFold DB , UniProt , Accession A0A087YDI2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 870 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
1M76.9Confident91.9Very high159 Ų15917.5 Ų17.578%0.7839%0.091SC*.  0120.50-74.3173.9178.200106.7G47M1-G47 WeakPolarHBondContact CB-O 3.34Å; M1-G47 WeakPolarHBondContact CG-O 3.47Å
2P85.6Confident91.8Very high26 Ų2621.1 Ų21.117%0.16913%0.125CC..  trans-79.5154.6176.934.4-34.2000111.5D48 R49 P122P2-D48 WeakPolarHBondContact CD-OD1 3.45Å; P2-D48 WeakPolarHBondContact CG-OD1 3.49Å; P2-R49 PolarHBondContact O-N 3.01Å; P2-R49 VanDerWaalsContact O-N 3.14Å; P2-P122 CarbonylContact C-O 3.6Å; P2-P122 WeakPolarHBondContact CA-O 3.38Å; P2-P122 HydrophobicContact CB-CG 4.25Å
3V92.1Very high91.8Very high2 Ų222.9 Ų22.91%0.01214%0.139CC..EExtended strand (participates in β ladder)trans-108.9130.8173.5-178.20000108.3M51 W66 L99 E121 P122 A123 I124V3-M51 HydrophobicContact CG1-CE 3.54Å; V3-M51 HydrophobicContact CG1-CG 4.33Å; V3-M51 HydrophobicContact CG1-SD 3.78Å; V3-W66 HydrophobicContact CG2-CH2 4.03Å; V3-W66 HydrophobicContact CG2-CZ3 3.99Å; V3-L99 HydrophobicContact CB-CD2 4.47Å; V3-L99 HydrophobicContact CG1-CD2 3.83Å; V3-E121 HydrophobicContact CG2-CG 4.21Å; V3-P122 PolarHBondContact N-O 3.34Å; V3-A123 HydrophobicContact CB-CB 4.12Å; V3-A123 CarbonylContact O-C 3.56Å; V3-A123 VanDerWaalsContact O-CA 3.28Å; V3-A123 WeakPolarHBondContact O-CA 3.44Å; V3-I124 PolarHBondContact O-N 3.03Å
4L94.5Very high91.8Very high0 Ų021.3 Ų21.30%013%0.129CC..EExtended strand (participates in β ladder)trans-119.5103.3-177.1-73.4148.7000107.9F35 D48 R49 Y50 M51 I124 I126 I227L4-F35 HydrophobicContact CD2-CE1 4.21Å; L4-F35 HydrophobicContact CD2-CZ 3.99Å; L4-D48 HydrophobicContact CD1-CB 4.02Å; L4-D48 WeakPolarHBondContact CD1-OD2 3.39Å; L4-R49 PolarHBondContact N-O 3.14Å; L4-Y50 HydrophobicContact CB-CD1 3.84Å; L4-Y50 HydrophobicContact CB-CE1 4.14Å; L4-Y50 HydrophobicContact CD1-CD1 4.23Å; L4-Y50 HydrophobicContact CD1-CE1 3.7Å; L4-Y50 CarbonylContact O-C 3.43Å; L4-Y50 WeakPolarHBondContact O-CA 3.19Å; L4-M51 PolarHBondContact O-N 2.76Å; L4-I124 HydrophobicContact CD2-CB 4.14Å; L4-I126 HydrophobicContact CD2-CD1 4.41Å; L4-I227 HydrophobicContact CD2-CD1 4.11Å; L4-I227 HydrophobicContact CD2-CG2 4.44Å
5L95.8Very high92Very high0 Ų025.4 Ų25.40%015%0.15CC..EExtended strand (participates in β ladder)trans-103.2112.3-176.9-171.3157.1000108.8L7 M51 V53 A95 L98 L99 I124 I125 I126L5-L7 HydrophobicContact CD2-CB 4.16Å; L5-M51 HydrophobicContact CB-CB 4.2Å; L5-M51 HydrophobicContact CD1-CB 4.37Å; L5-M51 HydrophobicContact CD1-SD 4.34Å; L5-M51 HydrophobicContact CG-CB 4.01Å; L5-V53 HydrophobicContact CD1-CG2 4.05Å; L5-V53 HydrophobicContact CD2-CB 4.11Å; L5-V53 HydrophobicContact CD2-CG2 3.84Å; L5-V53 HydrophobicContact CG-CG2 4.07Å; L5-A95 HydrophobicContact CD1-CB 3.88Å; L5-A95 HydrophobicContact CD2-CB 3.69Å; L5-A95 HydrophobicContact CG-CB 4.49Å; L5-L98 HydrophobicContact CD1-CD2 4.3Å; L5-L99 HydrophobicContact CD1-CD1 4.18Å; L5-L99 HydrophobicContact CD1-CD2 4.27Å; L5-L99 HydrophobicContact CD1-CG 4.06Å; L5-I124 PolarHBondContact N-O 2.68Å; L5-I125 HydrophobicContact CB-CG1 4.43Å; L5-I125 HydrophobicContact CD2-CG1 4.46Å; L5-I125 HydrophobicContact CD2-CG2 4.12Å; L5-I125 CarbonylContact O-C 3.36Å; L5-I125 VanDerWaalsContact O-CA 3.32Å; L5-I125 WeakPolarHBondContact O-CA 3.4Å; L5-I126 PolarHBondContact O-N 2.99Å
6F96.8Very high91.9Very high2 Ų228.3 Ų28.31%0.00916%0.162CC..EExtended strand (participates in β ladder)trans-84.4119.8171.5-64-80.2000109I8 V32 F35 Y50 M51 L52 V53 F73 I126F6-I8 HydrophobicContact CB-CD1 4.38Å; F6-I8 HydrophobicContact CB-CG1 4.12Å; F6-V32 HydrophobicContact CD1-CB 4.44Å; F6-V32 HydrophobicContact CD1-CG1 4.13Å; F6-V32 HydrophobicContact CD1-CG2 3.55Å; F6-V32 HydrophobicContact CD2-CG1 4.08Å; F6-V32 HydrophobicContact CE1-CB 4.34Å; F6-V32 HydrophobicContact CE1-CG1 4Å; F6-V32 HydrophobicContact CE1-CG2 3.82Å; F6-V32 HydrophobicContact CE2-CG1 3.91Å; F6-V32 HydrophobicContact CG-CG1 4.15Å; F6-V32 HydrophobicContact CG-CG2 4.08Å; F6-V32 HydrophobicContact CZ-CG1 3.87Å; F6-F35 HydrophobicContact CE1-CD1 4.03Å; F6-F35 HydrophobicContact CE1-CE1 4.24Å; F6-F35 AromaticContact CZ-CD1 3.55Å; F6-F35 HydrophobicContact CZ-CD1 3.55Å; F6-F35 AromaticContact CZ-CE1 3.68Å; F6-F35 HydrophobicContact CZ-CE1 3.68Å; F6-F35 HydrophobicContact CZ-CG 4.47Å; F6-Y50 AromaticContact CE2-CD1 3.9Å; F6-Y50 HydrophobicContact CE2-CD1 3.9Å; F6-M51 PolarHBondContact N-O 3.44Å; F6-L52 HydrophobicContact CB-CD1 4.13Å; F6-V53 PolarHBondContact O-N 2.99Å; F6-F73 AromaticContact CD2-CE2 3.75Å; F6-F73 HydrophobicContact CD2-CE2 3.75Å; F6-F73 AromaticContact CD2-CZ 3.47Å; F6-F73 HydrophobicContact CD2-CZ 3.47Å; F6-F73 VanDerWaalsContact CD2-CZ 3.47Å; F6-F73 HydrophobicContact CE2-CE2 4.37Å; F6-F73 AromaticContact CE2-CZ 3.82Å; F6-F73 HydrophobicContact CE2-CZ 3.82Å; F6-F73 HydrophobicContact CG-CZ 4.38Å; F6-I126 HydrophobicContact CD1-CB 3.92Å; F6-I126 HydrophobicContact CD1-CD1 4.33Å; F6-I126 HydrophobicContact CD1-CG2 4.19Å; F6-I126 HydrophobicContact CE1-CB 4.15Å; F6-I126 HydrophobicContact CE1-CD1 3.7Å; F6-I126 HydrophobicContact CE1-CG1 4.48Å; F6-I126 HydrophobicContact CE1-CG2 4.31Å; F6-I126 HydrophobicContact CZ-CD1 4.29Å
7L95.8Very high91.9Very high0 Ų036.9 Ų36.90%019%0.191CC..EExtended strand (participates in β ladder)trans-104.691.6174.7177.962.4000107.1L5 V53 F55 F88 L92 I125 I126 A127 I128L5-L7 HydrophobicContact CD2-CB 4.16Å; L7-V53 WeakPolarHBondContact CA-O 3.34Å; L7-V53 HydrophobicContact CD1-CB 4.01Å; L7-V53 HydrophobicContact CD1-CG1 3.74Å; L7-F55 HydrophobicContact CD1-CD1 4.28Å; L7-F55 HydrophobicContact CD1-CE1 4.03Å; L7-F55 HydrophobicContact CG-CE1 4.05Å; L7-F88 HydrophobicContact CD2-CE1 4.43Å; L7-F88 HydrophobicContact CD2-CE2 4.3Å; L7-F88 HydrophobicContact CD2-CZ 3.84Å; L7-L92 HydrophobicContact CD2-CB 3.89Å; L7-L92 HydrophobicContact CD2-CD1 3.84Å; L7-L92 HydrophobicContact CD2-CG 4.48Å; L7-I125 HydrophobicContact CB-CG2 3.93Å; L7-I125 HydrophobicContact CD2-CG2 4.3Å; L7-I126 PolarHBondContact N-O 3.43Å; L7-A127 HydrophobicContact CB-CB 4.4Å; L7-A127 HydrophobicContact CD2-CB 4.33Å; L7-A127 VanDerWaalsContact O-CA 3.31Å; L7-A127 WeakPolarHBondContact O-CA 3.46Å; L7-I128 PolarHBondContact O-N 2.97Å
8I95.3Very high91.8Very high0 Ų035.2 Ų35.20%018%0.182CC..EExtended strand (participates in β ladder)trans-96.5124.5-172.6-54.8-174.3000109.5F6 T10 L25 A28 V32 L52 V53 N54 L77 L80F6-I8 HydrophobicContact CB-CD1 4.38Å; F6-I8 HydrophobicContact CB-CG1 4.12Å; I8-T10 PolarHBondContact O-N 3.29Å; I8-L25 HydrophobicContact CG2-CD1 3.85Å; I8-A28 HydrophobicContact CG2-CB 4.33Å; I8-V32 HydrophobicContact CD1-CG2 3.98Å; I8-L52 HydrophobicContact CD1-CD1 3.67Å; I8-L52 HydrophobicContact CG1-CD1 3.92Å; I8-V53 PolarHBondContact N-O 3.01Å; I8-N54 WeakPolarHBondContact O-CA 3.41Å; I8-L77 HydrophobicContact CD1-CD1 3.41Å; I8-L77 VanDerWaalsContact CD1-CD1 3.41Å; I8-L80 HydrophobicContact CB-CD1 4.15Å; I8-L80 HydrophobicContact CD1-CD1 3.96Å; I8-L80 HydrophobicContact CG2-CD1 4.1Å
9D93.4Very high91.6Very high0 Ų037.3 Ų37.30%019%0.191CC..  trans-63.4119171.3-165.3-31000110.4S11 M14 F55 I128 S129D9-S11 WeakPolarHBondContact OD1-CB 3.32Å; D9-S11 PolarHBondContact OD1-N 3.06Å; D9-S11 PolarHBondContact OD1-OG 3.38Å; D9-M14 HydrophobicContact CB-CE 4.22Å; D9-M14 HydrophobicContact CB-CG 3.94Å; D9-M14 HydrophobicContact CB-SD 4.2Å; D9-F55 HydrophobicContact CB-CD2 4.43Å; D9-F55 HydrophobicContact CB-CE1 4.1Å; D9-F55 HydrophobicContact CB-CE2 3.77Å; D9-F55 HydrophobicContact CB-CZ 3.56Å; D9-F55 VanDerWaalsContact OD2-CE2 3.3Å; D9-F55 WeakPolarHBondContact OD2-CE2 3.48Å; D9-I128 WeakPolarHBondContact CB-O 3.29Å; D9-I128 PolarHBondContact N-O 3.01Å; D9-S129 WeakPolarHBondContact OD2-CB 3.4Å; D9-S129 PolarHBondContact OD2-OG 3.11Å
10T92.3Very high91.3Very high2 Ų240.2 Ų40.21%0.01221%0.206CC..  trans-116.124.5176.454.80000111.6I8 N54 F55 L80 Q81 A82 T83 G84I8-T10 PolarHBondContact O-N 3.29Å; T10-N54 HydrophobicContact CG2-CB 3.72Å; T10-N54 PolarHBondContact OG1-ND2 3.42Å; T10-F55 PolarHBondContact OG1-N 3.48Å; T10-L80 HydrophobicContact CG2-CB 4.33Å; T10-L80 HydrophobicContact CG2-CD1 4.28Å; T10-L80 HydrophobicContact CG2-CD2 4.33Å; T10-Q81 WeakPolarHBondContact CB-O 3.48Å; T10-A82 CarbonylContact O-C 3.31Å; T10-T83 CarbonylContact O-C 3.52Å; T10-T83 PolarHBondContact O-N 3.25Å; T10-G84 PolarHBondContact O-N 2.86Å
11S92Very high91.2Very high2 Ų240 Ų401%0.01422%0.215CC..SBendtrans-68.9169.8173.467.80000112.6D9 S13 A82 G84 T86D9-S11 WeakPolarHBondContact OD1-CB 3.32Å; D9-S11 PolarHBondContact OD1-N 3.06Å; D9-S11 PolarHBondContact OD1-OG 3.38Å; S11-S13 VanDerWaalsContact C-N 3.32Å; S11-S13 PolarHBondContact O-N 3.41Å; S11-S13 PolarHBondContact OG-OG 3.25Å; S11-A82 CarbonylContact O-C 3.55Å; S11-A82 WeakPolarHBondContact O-CB 3.37Å; S11-G84 CarbonylContact C-O 3.42Å; S11-G84 WeakPolarHBondContact CA-O 3.46Å; S11-T86 VanDerWaalsContact CB-CG2 3.44Å; S11-T86 VanDerWaalsContact OG-CG2 3.23Å; S11-T86 WeakPolarHBondContact OG-CG2 3.46Å
12A91.3Very high91.9Very high60 Ų6035 Ų3550%0.49619%0.194SC..SBendtrans-67.2-26.117900000114.2M14 N15 G84A12-M14 VanDerWaalsContact C-N 3.32Å; A12-M14 PolarHBondContact O-N 3.15Å; A12-N15 WeakPolarHBondContact O-CB 3.3Å; A12-N15 PolarHBondContact O-N 3.33Å; A12-N15 PolarHBondContact O-ND2 3.08Å; A12-G84 PolarHBondContact N-O 3.23Å
13S91.2Very high92.3Very high45 Ų4534.7 Ų34.732%0.31519%0.191SC..G310 helixtrans-70.6-27.8-178.260.20000112.8S11 N15 Q16 D130S11-S13 VanDerWaalsContact C-N 3.32Å; S11-S13 PolarHBondContact O-N 3.41Å; S11-S13 PolarHBondContact OG-OG 3.25Å; S13-N15 PolarHBondContact O-N 2.8Å; S13-Q16 WeakPolarHBondContact O-CB 3.43Å; S13-Q16 VanDerWaalsContact O-CG 3.26Å; S13-Q16 WeakPolarHBondContact O-CG 3.35Å; S13-Q16 PolarHBondContact O-N 3.47Å; S13-Q16 PolarHBondContact O-NE2 3.03Å; S13-D130 WeakPolarHBondContact CB-OD2 3.47Å; S13-D130 PolarHBondContact OG-OD2 3.1Å
14M92.8Very high92.5Very high0 Ų035.4 Ų35.40%019%0.194CC..G310 helixtrans-63.1-5.2175.3-67.6-71.5-76.800114.4D9 A12 Q16 Y24 L25 A28 A82 D130 L173D9-M14 HydrophobicContact CB-CE 4.22Å; D9-M14 HydrophobicContact CB-CG 3.94Å; D9-M14 HydrophobicContact CB-SD 4.2Å; A12-M14 VanDerWaalsContact C-N 3.32Å; A12-M14 PolarHBondContact O-N 3.15Å; M14-Q16 VanDerWaalsContact C-N 3.3Å; M14-Y24 PolarHBondContact O-N 3.11Å; M14-Y24 HydrophobicContact SD-CD2 4.15Å; M14-L25 HydrophobicContact CB-CB 4.3Å; M14-L25 PolarHBondContact O-N 3.26Å; M14-L25 VanDerWaalsContact O-N 3.15Å; M14-A28 HydrophobicContact CE-CB 4.19Å; M14-A82 HydrophobicContact CB-CB 4.17Å; M14-D130 HydrophobicContact SD-CB 4.09Å; M14-L173 HydrophobicContact CE-CD1 4.32Å
15N93.6Very high92.5Very high83 Ų8335.7 Ų35.744%0.44420%0.195SC..G310 helixtrans-76.7-10.1168.5-68.3-75.1000114.1A12 S13 T23 A82A12-N15 WeakPolarHBondContact O-CB 3.3Å; A12-N15 PolarHBondContact O-N 3.33Å; A12-N15 PolarHBondContact O-ND2 3.08Å; S13-N15 PolarHBondContact O-N 2.8Å; N15-T23 WeakPolarHBondContact O-CG2 3.42Å; N15-A82 VanDerWaalsContact ND2-CB 3.34Å; N15-A82 WeakPolarHBondContact ND2-CB 3.5Å; N15-A82 PolarHBondContact ND2-O 3.4Å; N15-A82 WeakPolarHBondContact OD1-CB 3.36Å
16Q90.8Very high92.4Very high72 Ų7239.3 Ų39.334%0.33621%0.214SC..PPolyproline II helixtrans-60.6142.1178.368.1-164.4-42.700111.6S13 M14 T23 Y24 D130S13-Q16 WeakPolarHBondContact O-CB 3.43Å; S13-Q16 VanDerWaalsContact O-CG 3.26Å; S13-Q16 WeakPolarHBondContact O-CG 3.35Å; S13-Q16 PolarHBondContact O-N 3.47Å; S13-Q16 PolarHBondContact O-NE2 3.03Å; M14-Q16 VanDerWaalsContact C-N 3.3Å; Q16-T23 VanDerWaalsContact O-CA 3.3Å; Q16-T23 WeakPolarHBondContact O-CA 3.35Å; Q16-Y24 HydrophobicContact CG-CD1 3.84Å; Q16-Y24 HydrophobicContact CG-CD2 3.81Å; Q16-Y24 HydrophobicContact CG-CE1 3.91Å; Q16-Y24 HydrophobicContact CG-CE2 3.86Å; Q16-Y24 HydrophobicContact CG-CG 3.81Å; Q16-Y24 PolarHBondContact O-N 3.43Å; Q16-Y24 VanDerWaalsContact O-N 3.09Å; Q16-D130 PolarHBondContact NE2-OD2 2.88Å
17R91.4Very high92.3Very high174 Ų17439.7 Ų39.766%0.65722%0.216SC*.BIsolated β-bridgetrans-99.7139.3-173.3-67.7-176.5-175.6-99.71.9111.9G21 T22 T23R17-G21 PolarHBondContact NH1-O 3.4Å; R17-T22 WeakPolarHBondContact CA-O 3.31Å; R17-T23 HydrophobicContact CG-CG2 4.46Å
18T90.3Very high92.3Very high6 Ų639.7 Ų39.74%0.03722%0.216CC..PPolyproline II helixtrans-83.5172.4170.462.50000111.9L20 G21 T22 Y24 I27 I175T18-L20 PolarHBondContact O-N 3.08Å; T18-L20 VanDerWaalsContact O-N 3.09Å; T18-L20 WeakPolarHBondContact OG1-CB 3.38Å; T18-L20 PolarHBondContact OG1-N 2.76Å; T18-G21 PolarHBondContact O-N 3.01Å; T18-T22 PolarHBondContact N-O 3.14Å; T18-T22 PolarHBondContact OG1-O 3.35Å; T18-T22 PolarHBondContact OG1-OG1 3.32Å; T18-Y24 HydrophobicContact CG2-CD1 3.85Å; T18-Y24 HydrophobicContact CG2-CE1 3.75Å; T18-I27 HydrophobicContact CG2-CD1 3.4Å; T18-I27 VanDerWaalsContact CG2-CD1 3.4Å; T18-I175 HydrophobicContact CG2-CB 3.8Å; T18-I175 HydrophobicContact CG2-CG2 3.61Å
19H87.9Confident92.3Very high76 Ų7641.2 Ų41.235%0.35222%0.223SC..THydrogen-bonded Turntrans-57-16166.761.8-92.2000114.5G21 P176 G177 A179H19-G21 VanDerWaalsContact C-N 3.27Å; H19-P176 PolarHBondContact N-O 3.34Å; H19-P176 VanDerWaalsContact N-O 3.16Å; H19-P176 PolarHBondContact ND1-O 2.72Å; H19-G177 VanDerWaalsContact CA-O 3.29Å; H19-G177 WeakPolarHBondContact CA-O 3.48Å; H19-G177 WeakPolarHBondContact CB-O 3.36Å; H19-G177 PolarHBondContact N-O 2.92Å; H19-A179 HydrophobicContact CB-CB 4.49Å
20L86.6Confident92.4Very high94 Ų9442.6 Ų42.649%0.49224%0.238SC..THydrogen-bonded Turntrans-82.7-2.2172.9-54.2176000112.9T18 T22T18-L20 PolarHBondContact O-N 3.08Å; T18-L20 VanDerWaalsContact O-N 3.09Å; T18-L20 WeakPolarHBondContact OG1-CB 3.38Å; T18-L20 PolarHBondContact OG1-N 2.76Å; L20-T22 PolarHBondContact O-N 3.23Å
21G88.4Confident92.5Very high38 Ų3842.6 Ų42.639%0.39224%0.238SC..SBendtrans78-15.4-178.100000115.1R17 T18 H19R17-G21 PolarHBondContact NH1-O 3.4Å; T18-G21 PolarHBondContact O-N 3.01Å; H19-G21 VanDerWaalsContact C-N 3.27Å
22T92.8Very high92.7Very high54 Ų5442.6 Ų42.633%0.33124%0.237SC..  trans-75155174.549.80000112.4R17 T18 L20R17-T22 WeakPolarHBondContact CA-O 3.31Å; T18-T22 PolarHBondContact N-O 3.14Å; T18-T22 PolarHBondContact OG1-O 3.35Å; T18-T22 PolarHBondContact OG1-OG1 3.32Å; L20-T22 PolarHBondContact O-N 3.23Å
23T94.3Very high92.9Very high18 Ų1842.5 Ų42.511%0.1123%0.227CC..BIsolated β-bridgetrans-80.6161.3172.970.70000111.8N15 Q16 R17 L25 D26 I27N15-T23 WeakPolarHBondContact O-CG2 3.42Å; Q16-T23 VanDerWaalsContact O-CA 3.3Å; Q16-T23 WeakPolarHBondContact O-CA 3.35Å; R17-T23 HydrophobicContact CG-CG2 4.46Å; T23-L25 VanDerWaalsContact C-N 3.25Å; T23-L25 PolarHBondContact O-N 2.67Å; T23-L25 PolarHBondContact OG1-N 2.84Å; T23-D26 WeakPolarHBondContact CB-OD2 3.37Å; T23-D26 PolarHBondContact N-OD2 2.97Å; T23-D26 PolarHBondContact O-N 2.82Å; T23-D26 VanDerWaalsContact O-N 3.15Å; T23-D26 PolarHBondContact OG1-N 3.1Å; T23-D26 PolarHBondContact OG1-OD2 3.22Å; T23-I27 PolarHBondContact O-N 3.07Å; T23-I27 VanDerWaalsContact O-N 3.1Å
24Y94.6Very high93Very high18 Ų1842.5 Ų42.57%0.07123%0.225CC..Hα-helixtrans-57.7-36.9171-81.820.7000112.5M14 Q16 T18 I27 A28 D130 L173 I175M14-Y24 PolarHBondContact O-N 3.11Å; M14-Y24 HydrophobicContact SD-CD2 4.15Å; Q16-Y24 HydrophobicContact CG-CD1 3.84Å; Q16-Y24 HydrophobicContact CG-CD2 3.81Å; Q16-Y24 HydrophobicContact CG-CE1 3.91Å; Q16-Y24 HydrophobicContact CG-CE2 3.86Å; Q16-Y24 HydrophobicContact CG-CG 3.81Å; Q16-Y24 PolarHBondContact O-N 3.43Å; Q16-Y24 VanDerWaalsContact O-N 3.09Å; T18-Y24 HydrophobicContact CG2-CD1 3.85Å; T18-Y24 HydrophobicContact CG2-CE1 3.75Å; Y24-I27 PolarHBondContact O-N 3.11Å; Y24-A28 WeakPolarHBondContact O-CB 3.38Å; Y24-A28 PolarHBondContact O-N 3.03Å; Y24-D130 HydrophobicContact CD2-CB 3.72Å; Y24-D130 HydrophobicContact CE2-CB 3.72Å; Y24-L173 HydrophobicContact CD2-CB 3.8Å; Y24-L173 HydrophobicContact CD2-CD1 4.42Å; Y24-L173 HydrophobicContact CE2-CB 3.89Å; Y24-L173 WeakPolarHBondContact CE2-O 3.38Å; Y24-L173 HydrophobicContact CG-CB 4.27Å; Y24-L173 HydrophobicContact CG-CD1 4.3Å; Y24-L173 PolarHBondContact OH-O 2.99Å; Y24-I175 HydrophobicContact CE1-CB 4.4Å; Y24-I175 PolarHBondContact OH-N 3.31Å; Y24-I175 PolarHBondContact OH-O 2.83Å
25L95.2Very high93.2Very high6 Ų642.5 Ų42.53%0.03123%0.225CC..Hα-helixtrans-65.2-37.2175.3179.560.7000112.3I8 M14 T23 I27 A28 K29 A82I8-L25 HydrophobicContact CG2-CD1 3.85Å; M14-L25 HydrophobicContact CB-CB 4.3Å; M14-L25 PolarHBondContact O-N 3.26Å; M14-L25 VanDerWaalsContact O-N 3.15Å; T23-L25 VanDerWaalsContact C-N 3.25Å; T23-L25 PolarHBondContact O-N 2.67Å; T23-L25 PolarHBondContact OG1-N 2.84Å; L25-I27 VanDerWaalsContact C-N 3.34Å; L25-A28 PolarHBondContact O-N 3.29Å; L25-K29 WeakPolarHBondContact O-CG 3.38Å; L25-K29 PolarHBondContact O-N 2.98Å; L25-A82 HydrophobicContact CB-CB 4.36Å; L25-A82 HydrophobicContact CD2-CB 3.74Å
26D94.4Very high93.1Very high75 Ų7539.5 Ų39.540%0.40121%0.208SC..Hα-helixtrans-65.5-39.7175.7-57.9-49.6000111.3T23 K29 G30T23-D26 WeakPolarHBondContact CB-OD2 3.37Å; T23-D26 PolarHBondContact N-OD2 2.97Å; T23-D26 PolarHBondContact O-N 2.82Å; T23-D26 VanDerWaalsContact O-N 3.15Å; T23-D26 PolarHBondContact OG1-N 3.1Å; T23-D26 PolarHBondContact OG1-OD2 3.22Å; D26-K29 PolarHBondContact O-N 2.95Å; D26-G30 PolarHBondContact O-N 3.47Å
27I94.8Very high93.2Very high10 Ų1042.1 Ų42.15%0.05122%0.219CC..Hα-helixtrans-66.5-40.6174.6-66.2175.1000110.8T18 T23 Y24 L25 K29 G30 A31 L173 I175 L216T18-I27 HydrophobicContact CG2-CD1 3.4Å; T18-I27 VanDerWaalsContact CG2-CD1 3.4Å; T23-I27 PolarHBondContact O-N 3.07Å; T23-I27 VanDerWaalsContact O-N 3.1Å; Y24-I27 PolarHBondContact O-N 3.11Å; L25-I27 VanDerWaalsContact C-N 3.34Å; I27-K29 PolarHBondContact O-N 3.3Å; I27-G30 CarbonylContact O-C 3.58Å; I27-G30 PolarHBondContact O-N 2.97Å; I27-A31 WeakPolarHBondContact O-CB 3.48Å; I27-A31 PolarHBondContact O-N 3.07Å; I27-L173 HydrophobicContact CG2-CD1 4.39Å; I27-L173 HydrophobicContact CG2-CD2 4.42Å; I27-I175 HydrophobicContact CD1-CD1 3.98Å; I27-I175 HydrophobicContact CG2-CD1 4.09Å; I27-L216 HydrophobicContact CG2-CD2 3.63Å
28A95.4Very high93.3Very high0 Ų034.8 Ų34.80%019%0.193CC..Hα-helixtrans-60.5-44.8174.400000111.9I8 M14 Y24 L25 A31 V32 I128 L173I8-A28 HydrophobicContact CG2-CB 4.33Å; M14-A28 HydrophobicContact CE-CB 4.19Å; Y24-A28 WeakPolarHBondContact O-CB 3.38Å; Y24-A28 PolarHBondContact O-N 3.03Å; L25-A28 PolarHBondContact O-N 3.29Å; A28-A31 WeakPolarHBondContact O-CB 3.27Å; A28-A31 PolarHBondContact O-N 2.74Å; A28-V32 WeakPolarHBondContact O-CG2 3.14Å; A28-V32 PolarHBondContact O-N 3.32Å; A28-I128 HydrophobicContact CB-CB 4.35Å; A28-I128 HydrophobicContact CB-CD1 4.37Å; A28-I128 HydrophobicContact CB-CG2 3.7Å; A28-L173 HydrophobicContact CB-CD1 4.44Å
29K95.3Very high93.3Very high32 Ų3235 Ų3514%0.13919%0.193CC..Hα-helixtrans-59.3-48.3173-70171.7-176.1-178.10111.3L25 D26 I27 A31 V32 E33 L77 R78 L80L25-K29 WeakPolarHBondContact O-CG 3.38Å; L25-K29 PolarHBondContact O-N 2.98Å; D26-K29 PolarHBondContact O-N 2.95Å; I27-K29 PolarHBondContact O-N 3.3Å; K29-A31 VanDerWaalsContact C-N 3.31Å; K29-A31 PolarHBondContact O-N 3.19Å; K29-V32 PolarHBondContact O-N 3.27Å; K29-E33 PolarHBondContact O-N 3.07Å; K29-L77 WeakPolarHBondContact CE-O 3.49Å; K29-L77 HydrophobicContact CG-CD1 4.28Å; K29-L77 HydrophobicContact CG-CG 4.49Å; K29-R78 PolarHBondContact NZ-O 3.4Å; K29-L80 PolarHBondContact NZ-O 3.45Å
30G95.1Very high93.4Very high30 Ų3033.8 Ų33.831%0.30920%0.201SC..Hα-helixtrans-62-34.8177.400000113.7D26 I27 T34D26-G30 PolarHBondContact O-N 3.47Å; I27-G30 CarbonylContact O-C 3.58Å; I27-G30 PolarHBondContact O-N 2.97Å; G30-T34 VanDerWaalsContact O-CB 3.28Å; G30-T34 WeakPolarHBondContact O-CB 3.41Å; G30-T34 PolarHBondContact O-N 3.15Å; G30-T34 PolarHBondContact O-OG1 3.03Å
31A95.3Very high93.6Very high2 Ų238.3 Ų38.32%0.01721%0.211CC..Hα-helixtrans-65.3-46.3174.300000111.4I27 A28 K29 T34 F35 L216 L220I27-A31 WeakPolarHBondContact O-CB 3.48Å; I27-A31 PolarHBondContact O-N 3.07Å; A28-A31 WeakPolarHBondContact O-CB 3.27Å; A28-A31 PolarHBondContact O-N 2.74Å; K29-A31 VanDerWaalsContact C-N 3.31Å; K29-A31 PolarHBondContact O-N 3.19Å; A31-T34 PolarHBondContact O-N 3.39Å; A31-F35 VanDerWaalsContact O-CB 3.27Å; A31-F35 WeakPolarHBondContact O-CB 3.45Å; A31-F35 PolarHBondContact O-N 3.26Å; A31-L216 HydrophobicContact CB-CD1 4.17Å; A31-L216 HydrophobicContact CB-CD2 4.19Å; A31-L220 HydrophobicContact CB-CD1 4.15Å; A31-L220 WeakPolarHBondContact O-CD1 3.48Å
32V95.8Very high93.5Very high1 Ų139.3 Ų39.31%0.00621%0.208CC..Hα-helixtrans-62.3-45176.41740000111.3F6 I8 A28 K29 T34 F35 M36 F73 L77 I128F6-V32 HydrophobicContact CD1-CB 4.44Å; F6-V32 HydrophobicContact CD1-CG1 4.13Å; F6-V32 HydrophobicContact CD1-CG2 3.55Å; F6-V32 HydrophobicContact CD2-CG1 4.08Å; F6-V32 HydrophobicContact CE1-CB 4.34Å; F6-V32 HydrophobicContact CE1-CG1 4Å; F6-V32 HydrophobicContact CE1-CG2 3.82Å; F6-V32 HydrophobicContact CE2-CG1 3.91Å; F6-V32 HydrophobicContact CG-CG1 4.15Å; F6-V32 HydrophobicContact CG-CG2 4.08Å; F6-V32 HydrophobicContact CZ-CG1 3.87Å; I8-V32 HydrophobicContact CD1-CG2 3.98Å; A28-V32 WeakPolarHBondContact O-CG2 3.14Å; A28-V32 PolarHBondContact O-N 3.32Å; K29-V32 PolarHBondContact O-N 3.27Å; V32-T34 VanDerWaalsContact C-N 3.35Å; V32-T34 PolarHBondContact O-N 3.39Å; V32-F35 PolarHBondContact O-N 2.85Å; V32-M36 WeakPolarHBondContact O-CG 3.34Å; V32-M36 PolarHBondContact O-N 3.39Å; V32-F73 HydrophobicContact CG1-CE1 4.1Å; V32-F73 HydrophobicContact CG1-CZ 3.9Å; V32-L77 HydrophobicContact CB-CD1 4.38Å; V32-L77 HydrophobicContact CB-CD2 4.09Å; V32-L77 HydrophobicContact CG1-CD1 4.26Å; V32-L77 HydrophobicContact CG1-CD2 3.61Å; V32-I128 HydrophobicContact CG2-CD1 3.74Å
33E94.4Very high93Very high58 Ų5841.8 Ų41.827%0.27123%0.225SC..Hα-helixtrans-60-43.8174-73.2-155.3-173.400112.7K29 M36 K37 M74K29-E33 PolarHBondContact O-N 3.07Å; E33-M36 PolarHBondContact O-N 2.62Å; E33-K37 VanDerWaalsContact O-CD 3.32Å; E33-K37 WeakPolarHBondContact O-CD 3.36Å; E33-K37 WeakPolarHBondContact O-CG 3.45Å; E33-K37 PolarHBondContact O-N 3.3Å; E33-K37 IonicContact OE2-NZ 3.08Å; E33-K37 PolarHBondContact OE2-NZ 3.28Å; E33-M74 HydrophobicContact CG-CE 4.06Å
34T94.7Very high92.4Very high45 Ų4543.9 Ų43.928%0.27624%0.244SC..Hα-helixtrans-66.4-43.2-179.2-600000110.7G30 A31 V32 M36 K37 L38 L220G30-T34 VanDerWaalsContact O-CB 3.28Å; G30-T34 WeakPolarHBondContact O-CB 3.41Å; G30-T34 PolarHBondContact O-N 3.15Å; G30-T34 PolarHBondContact O-OG1 3.03Å; A31-T34 PolarHBondContact O-N 3.39Å; V32-T34 VanDerWaalsContact C-N 3.35Å; V32-T34 PolarHBondContact O-N 3.39Å; T34-M36 PolarHBondContact O-N 3.45Å; T34-K37 PolarHBondContact O-N 2.79Å; T34-L38 HydrophobicContact CG2-CD1 4.3Å; T34-L38 WeakPolarHBondContact O-CG 3.3Å; T34-L38 PolarHBondContact O-N 3.38Å; T34-L220 HydrophobicContact CG2-CD1 4.17Å
35F95.3Very high91.8Very high1 Ų144 Ų440%0.00425%0.247CC..Hα-helixtrans-59.2-44.9173.3175.9-89.4000112.2L4 F6 A31 V32 K37 L38 R39 I126 L220 L223 V224 I227L4-F35 HydrophobicContact CD2-CE1 4.21Å; L4-F35 HydrophobicContact CD2-CZ 3.99Å; F6-F35 HydrophobicContact CE1-CD1 4.03Å; F6-F35 HydrophobicContact CE1-CE1 4.24Å; F6-F35 AromaticContact CZ-CD1 3.55Å; F6-F35 HydrophobicContact CZ-CD1 3.55Å; F6-F35 AromaticContact CZ-CE1 3.68Å; F6-F35 HydrophobicContact CZ-CE1 3.68Å; F6-F35 HydrophobicContact CZ-CG 4.47Å; A31-F35 VanDerWaalsContact O-CB 3.27Å; A31-F35 WeakPolarHBondContact O-CB 3.45Å; A31-F35 PolarHBondContact O-N 3.26Å; V32-F35 PolarHBondContact O-N 2.85Å; F35-K37 VanDerWaalsContact C-N 3.33Å; F35-K37 PolarHBondContact O-N 3.37Å; F35-L38 PolarHBondContact O-N 3.13Å; F35-R39 VanDerWaalsContact O-CB 3.28Å; F35-R39 WeakPolarHBondContact O-CB 3.44Å; F35-R39 PolarHBondContact O-N 2.92Å; F35-I126 HydrophobicContact CD2-CD1 4.46Å; F35-I126 HydrophobicContact CE1-CD1 3.92Å; F35-I126 HydrophobicContact CE2-CD1 3.83Å; F35-I126 HydrophobicContact CZ-CD1 3.47Å; F35-I126 VanDerWaalsContact CZ-CD1 3.47Å; F35-L220 HydrophobicContact CB-CD1 4.38Å; F35-L220 HydrophobicContact CB-CD2 4.18Å; F35-L220 HydrophobicContact CD2-CD2 4.25Å; F35-L223 HydrophobicContact CE2-CD2 3.72Å; F35-L223 HydrophobicContact CZ-CD2 4.24Å; F35-V224 HydrophobicContact CD2-CG2 3.7Å; F35-V224 HydrophobicContact CE2-CG2 3.56Å; F35-V224 HydrophobicContact CZ-CG2 4.36Å; F35-I227 HydrophobicContact CE1-CD1 4.44Å; F35-I227 HydrophobicContact CE2-CD1 3.85Å; F35-I227 HydrophobicContact CZ-CD1 3.42Å; F35-I227 VanDerWaalsContact CZ-CD1 3.42Å
36M92.6Very high91Very high19 Ų1954.9 Ų54.99%0.09429%0.288CS..Hα-helixtrans-61.8-40175.1-75.3-176138.800112.1V32 E33 T34 G40 Y50 F73 M74V32-M36 WeakPolarHBondContact O-CG 3.34Å; V32-M36 PolarHBondContact O-N 3.39Å; E33-M36 PolarHBondContact O-N 2.62Å; T34-M36 PolarHBondContact O-N 3.45Å; M36-G40 PolarHBondContact O-N 2.86Å; M36-Y50 HydrophobicContact CE-CD1 3.42Å; M36-Y50 VanDerWaalsContact CE-CD1 3.42Å; M36-Y50 HydrophobicContact CE-CD2 3.59Å; M36-Y50 HydrophobicContact CE-CE1 3.79Å; M36-Y50 HydrophobicContact CE-CE2 3.99Å; M36-Y50 HydrophobicContact CE-CG 3.27Å; M36-Y50 HydrophobicContact CG-CE1 4.27Å; M36-F73 HydrophobicContact CE-CD1 3.58Å; M36-F73 HydrophobicContact CE-CE1 3.24Å; M36-F73 HydrophobicContact CE-CG 4.45Å; M36-F73 HydrophobicContact CE-CZ 3.87Å; M36-F73 HydrophobicContact SD-CD1 4.2Å; M36-F73 HydrophobicContact SD-CE1 3.64Å; M36-F73 HydrophobicContact SD-CZ 4.5Å; M36-M74 HydrophobicContact SD-SD 3.82Å
37K93.1Very high90.4Very high127 Ų12752.2 Ų52.255%0.55228%0.279SS*.Hα-helixtrans-66.6-37.8175.5-67.8158.8-164.2167.70112E33 T34 F35E33-K37 VanDerWaalsContact O-CD 3.32Å; E33-K37 WeakPolarHBondContact O-CD 3.36Å; E33-K37 WeakPolarHBondContact O-CG 3.45Å; E33-K37 PolarHBondContact O-N 3.3Å; E33-K37 IonicContact OE2-NZ 3.08Å; E33-K37 PolarHBondContact OE2-NZ 3.28Å; T34-K37 PolarHBondContact O-N 2.79Å; F35-K37 VanDerWaalsContact C-N 3.33Å; F35-K37 PolarHBondContact O-N 3.37Å
38L92.9Very high90.2Very high21 Ų2152.7 Ų52.711%0.1128%0.281CS..Hα-helixtrans-67.2-50.4173.7-72171.7000111.4T34 F35 G40 R41 L220 E221 V224T34-L38 HydrophobicContact CG2-CD1 4.3Å; T34-L38 WeakPolarHBondContact O-CG 3.3Å; T34-L38 PolarHBondContact O-N 3.38Å; F35-L38 PolarHBondContact O-N 3.13Å; L38-G40 VanDerWaalsContact C-N 3.29Å; L38-G40 PolarHBondContact O-N 2.98Å; L38-R41 VanDerWaalsContact O-CB 3.28Å; L38-R41 WeakPolarHBondContact O-CB 3.33Å; L38-R41 WeakPolarHBondContact O-CG 3.45Å; L38-R41 PolarHBondContact O-N 2.85Å; L38-R41 VanDerWaalsContact O-N 3.11Å; L38-L220 HydrophobicContact CD1-CB 3.94Å; L38-E221 HydrophobicContact CD1-CG 3.75Å; L38-E221 HydrophobicContact CD2-CG 4.07Å; L38-V224 HydrophobicContact CB-CG2 4.19Å
39R91.4Very high90Very high10 Ų1057.9 Ų57.94%0.03830%0.301CS..Hα-helixtrans-63.3-34.2179.1-177.755.5174.21772.9112F35 R41 D42 S45 D48 V224F35-R39 VanDerWaalsContact O-CB 3.28Å; F35-R39 WeakPolarHBondContact O-CB 3.44Å; F35-R39 PolarHBondContact O-N 2.92Å; R39-R41 PolarHBondContact O-N 3.34Å; R39-R41 VanDerWaalsContact O-N 3.13Å; R39-D42 IonicContact CZ-OD2 2.85Å; R39-D42 IonicContact NH1-OD2 3.36Å; R39-D42 PolarHBondContact NH1-OD2 3.07Å; R39-D42 WeakPolarHBondContact O-CB 3.17Å; R39-D42 PolarHBondContact O-N 3.29Å; R39-S45 VanDerWaalsContact O-CB 3.28Å; R39-S45 WeakPolarHBondContact O-CB 3.43Å; R39-S45 PolarHBondContact O-OG 2.86Å; R39-D48 IonicContact CZ-OD2 2.81Å; R39-D48 IonicContact NE-OD2 3.52Å; R39-D48 PolarHBondContact NE-OD2 2.9Å; R39-D48 IonicContact NH2-OD1 3.56Å; R39-D48 PolarHBondContact NH2-OD1 3.37Å; R39-D48 VanDerWaalsContact NH2-OD1 3.13Å; R39-D48 IonicContact NH2-OD2 3.9Å; R39-D48 PolarHBondContact NH2-OD2 3.25Å; R39-V224 HydrophobicContact CB-CG2 4.45Å
40G89.3Confident89.9Confident51 Ų5158.3 Ų58.353%0.52630%0.302SS..THydrogen-bonded Turntrans-62.9-10.8173.600000115.6M36 L38M36-G40 PolarHBondContact O-N 2.86Å; L38-G40 VanDerWaalsContact C-N 3.29Å; L38-G40 PolarHBondContact O-N 2.98Å
41R90.4Very high89.8Confident188 Ų18857 Ų5771%0.70929%0.287SS*.THydrogen-bonded Turntrans-76.4-23.7171.2-59.1175.4178.4170.3-0.4112.8L38 R39L38-R41 VanDerWaalsContact O-CB 3.28Å; L38-R41 WeakPolarHBondContact O-CB 3.33Å; L38-R41 WeakPolarHBondContact O-CG 3.45Å; L38-R41 PolarHBondContact O-N 2.85Å; L38-R41 VanDerWaalsContact O-N 3.11Å; R39-R41 PolarHBondContact O-N 3.34Å; R39-R41 VanDerWaalsContact O-N 3.13Å
42D86.9Confident89.8Confident59 Ų5956.9 Ų56.932%0.31629%0.287SS..SBendtrans-85.5121179.2178.3-2.8000110.2R39 A44 S45R39-D42 IonicContact CZ-OD2 2.85Å; R39-D42 IonicContact NH1-OD2 3.36Å; R39-D42 PolarHBondContact NH1-OD2 3.07Å; R39-D42 WeakPolarHBondContact O-CB 3.17Å; R39-D42 PolarHBondContact O-N 3.29Å; D42-A44 PolarHBondContact O-N 3.34Å; D42-A44 VanDerWaalsContact OD1-CB 3.27Å; D42-A44 WeakPolarHBondContact OD1-CB 3.48Å; D42-A44 PolarHBondContact OD1-N 2.86Å; D42-S45 WeakPolarHBondContact O-CB 3.47Å; D42-S45 PolarHBondContact O-N 2.89Å; D42-S45 PolarHBondContact O-OG 3.48Å; D42-S45 VanDerWaalsContact O-OG 3.08Å
43P82.8Confident89.7Confident107 Ų10756.9 Ų56.970%0.69529%0.286SS*.G310 helixtrans-54.6-25.3175.9-26.735.7000114.9S45P43-S45 PolarHBondContact O-N 3.07Å
44A80.8Confident89.6Confident61 Ų6154.2 Ų54.250%0.50427%0.274SS..G310 helixtrans-66.2-23.9176.900000113.1D42 R46 G47D42-A44 PolarHBondContact O-N 3.34Å; D42-A44 VanDerWaalsContact OD1-CB 3.27Å; D42-A44 WeakPolarHBondContact OD1-CB 3.48Å; D42-A44 PolarHBondContact OD1-N 2.86Å; A44-R46 PolarHBondContact O-N 3.24Å; A44-R46 VanDerWaalsContact O-N 3.07Å; A44-G47 PolarHBondContact O-N 3.38Å
45S81.3Confident89.4Confident20 Ų2052.7 Ų52.714%0.1426%0.264CS..G310 helixtrans-65.3-15.2-174.179.90000114.5R39 D42 P43 G47 D48R39-S45 VanDerWaalsContact O-CB 3.28Å; R39-S45 WeakPolarHBondContact O-CB 3.43Å; R39-S45 PolarHBondContact O-OG 2.86Å; D42-S45 WeakPolarHBondContact O-CB 3.47Å; D42-S45 PolarHBondContact O-N 2.89Å; D42-S45 PolarHBondContact O-OG 3.48Å; D42-S45 VanDerWaalsContact O-OG 3.08Å; P43-S45 PolarHBondContact O-N 3.07Å; S45-G47 PolarHBondContact O-N 2.86Å; S45-G47 VanDerWaalsContact O-N 3.14Å; S45-D48 VanDerWaalsContact O-CB 3.32Å; S45-D48 WeakPolarHBondContact O-CB 3.31Å; S45-D48 PolarHBondContact O-N 3.09Å
46R79.8Confident89Confident235 Ų23556.1 Ų56.189%0.88728%0.28SS*.G310 helixtrans-62.3-17.7178.5-65.4-178.5177.7-1740.2113.8A44A44-R46 PolarHBondContact O-N 3.24Å; A44-R46 VanDerWaalsContact O-N 3.07Å
47G82.2Confident88.5Confident20 Ų2060.4 Ų60.421%0.20630%0.303CS..G310 helixtrans-1011.4174.800000114.7M1 A44 S45M1-G47 WeakPolarHBondContact CB-O 3.34Å; M1-G47 WeakPolarHBondContact CG-O 3.47Å; A44-G47 PolarHBondContact O-N 3.38Å; S45-G47 PolarHBondContact O-N 2.86Å; S45-G47 VanDerWaalsContact O-N 3.14Å
48D89.3Confident87.7Confident19 Ų1956.9 Ų56.910%0.10230%0.297CS..  trans-77.2142.5-173.5-67.93.7000111.8P2 L4 R39 S45 Y50P2-D48 WeakPolarHBondContact CD-OD1 3.45Å; P2-D48 WeakPolarHBondContact CG-OD1 3.49Å; L4-D48 HydrophobicContact CD1-CB 4.02Å; L4-D48 WeakPolarHBondContact CD1-OD2 3.39Å; R39-D48 IonicContact CZ-OD2 2.81Å; R39-D48 IonicContact NE-OD2 3.52Å; R39-D48 PolarHBondContact NE-OD2 2.9Å; R39-D48 IonicContact NH2-OD1 3.56Å; R39-D48 PolarHBondContact NH2-OD1 3.37Å; R39-D48 VanDerWaalsContact NH2-OD1 3.13Å; R39-D48 IonicContact NH2-OD2 3.9Å; R39-D48 PolarHBondContact NH2-OD2 3.25Å; S45-D48 VanDerWaalsContact O-CB 3.32Å; S45-D48 WeakPolarHBondContact O-CB 3.31Å; S45-D48 PolarHBondContact O-N 3.09Å; D48-Y50 HydrophobicContact CB-CE2 4.21Å
49R90.6Very high87Confident110 Ų11057.6 Ų57.642%0.41530%0.303SS..EExtended strand (participates in β ladder)trans-108.7130.8172.8-65.8-177.2-178.2164.20.2110.5P2 L4P2-R49 PolarHBondContact O-N 3.01Å; P2-R49 VanDerWaalsContact O-N 3.14Å; L4-R49 PolarHBondContact N-O 3.14Å
50Y93.7Very high86.5Confident41 Ų4160.6 Ų60.616%0.16132%0.317CS..EExtended strand (participates in β ladder)trans-107.8128.4-180-59.4-78000110.9L4 F6 M36 D48L4-Y50 HydrophobicContact CB-CD1 3.84Å; L4-Y50 HydrophobicContact CB-CE1 4.14Å; L4-Y50 HydrophobicContact CD1-CD1 4.23Å; L4-Y50 HydrophobicContact CD1-CE1 3.7Å; L4-Y50 CarbonylContact O-C 3.43Å; L4-Y50 WeakPolarHBondContact O-CA 3.19Å; F6-Y50 AromaticContact CE2-CD1 3.9Å; F6-Y50 HydrophobicContact CE2-CD1 3.9Å; M36-Y50 HydrophobicContact CE-CD1 3.42Å; M36-Y50 VanDerWaalsContact CE-CD1 3.42Å; M36-Y50 HydrophobicContact CE-CD2 3.59Å; M36-Y50 HydrophobicContact CE-CE1 3.79Å; M36-Y50 HydrophobicContact CE-CE2 3.99Å; M36-Y50 HydrophobicContact CE-CG 3.27Å; M36-Y50 HydrophobicContact CG-CE1 4.27Å; D48-Y50 HydrophobicContact CB-CE2 4.21Å
51M94.4Very high86.2Confident2 Ų258.1 Ų58.11%0.0129%0.292CS..EExtended strand (participates in β ladder)trans-122.6151.1178-65179.3-170.900110.5V3 L4 L5 F6 A64 W66 F73 L98 L99V3-M51 HydrophobicContact CG1-CE 3.54Å; V3-M51 HydrophobicContact CG1-CG 4.33Å; V3-M51 HydrophobicContact CG1-SD 3.78Å; L4-M51 PolarHBondContact O-N 2.76Å; L5-M51 HydrophobicContact CB-CB 4.2Å; L5-M51 HydrophobicContact CD1-CB 4.37Å; L5-M51 HydrophobicContact CD1-SD 4.34Å; L5-M51 HydrophobicContact CG-CB 4.01Å; F6-M51 PolarHBondContact N-O 3.44Å; M51-A64 WeakPolarHBondContact CA-O 3.35Å; M51-A64 WeakPolarHBondContact CB-O 3.49Å; M51-W66 HydrophobicContact CE-CD2 3.3Å; M51-W66 HydrophobicContact CE-CE3 3.39Å; M51-W66 HydrophobicContact CE-CG 3.87Å; M51-W66 HydrophobicContact CE-CH2 3.9Å; M51-W66 HydrophobicContact CE-CZ2 3.82Å; M51-W66 HydrophobicContact CE-CZ3 3.69Å; M51-F73 WeakPolarHBondContact O-CE2 3.4Å; M51-L98 HydrophobicContact SD-CD2 4.14Å; M51-L98 HydrophobicContact SD-CG 4.49Å; M51-L99 HydrophobicContact SD-CD2 4.32Å
52L94.4Very high86.2Confident0 Ų049.5 Ų49.50%026%0.259CS..EExtended strand (participates in β ladder)trans-129119-179.6-175.659.5000110.3F6 I8 K63 A64 F73 E76 L77 L80F6-L52 HydrophobicContact CB-CD1 4.13Å; I8-L52 HydrophobicContact CD1-CD1 3.67Å; I8-L52 HydrophobicContact CG1-CD1 3.92Å; L52-K63 HydrophobicContact CB-CB 4.33Å; L52-K63 HydrophobicContact CD2-CB 4.06Å; L52-K63 HydrophobicContact CG-CB 4.15Å; L52-K63 PolarHBondContact O-N 3.27Å; L52-A64 HydrophobicContact CB-CB 3.98Å; L52-A64 PolarHBondContact N-O 3.45Å; L52-A64 PolarHBondContact O-N 3.12Å; L52-F73 HydrophobicContact CB-CD2 3.9Å; L52-F73 HydrophobicContact CB-CE2 3.77Å; L52-E76 HydrophobicContact CD2-CB 4.18Å; L52-L77 HydrophobicContact CD1-CD1 4.46Å; L52-L77 HydrophobicContact CD2-CB 4.17Å; L52-L80 HydrophobicContact CD1-CD1 4.32Å; L52-L80 HydrophobicContact CD2-CD1 4.29Å; L52-L80 HydrophobicContact CD2-CD2 4.3Å; L52-L80 HydrophobicContact CD2-CG 4.41Å
53V94.4Very high86.3Confident0 Ų048.3 Ų48.30%025%0.252CS..EExtended strand (participates in β ladder)trans-121.7139.4174.1-178.20000108.5L5 F6 L7 I8 G61 I62 A95 L98L5-V53 HydrophobicContact CD1-CG2 4.05Å; L5-V53 HydrophobicContact CD2-CB 4.11Å; L5-V53 HydrophobicContact CD2-CG2 3.84Å; L5-V53 HydrophobicContact CG-CG2 4.07Å; F6-V53 PolarHBondContact O-N 2.99Å; L7-V53 WeakPolarHBondContact CA-O 3.34Å; L7-V53 HydrophobicContact CD1-CB 4.01Å; L7-V53 HydrophobicContact CD1-CG1 3.74Å; I8-V53 PolarHBondContact N-O 3.01Å; V53-G61 CarbonylContact C-O 3.43Å; V53-G61 VanDerWaalsContact CA-O 3.25Å; V53-G61 WeakPolarHBondContact CA-O 3.47Å; V53-G61 WeakPolarHBondContact CG1-O 3.36Å; V53-I62 HydrophobicContact CG2-CG1 4.41Å; V53-A95 HydrophobicContact CG2-CB 4.44Å; V53-L98 HydrophobicContact CG2-CD2 4.21Å
54N92.4Very high86.6Confident2 Ų243.2 Ų43.21%0.01122%0.219CC..  trans-125.3-174.6173.181-47.9000111.6I8 T10 E56 G61 K63 L80I8-N54 WeakPolarHBondContact O-CA 3.41Å; T10-N54 HydrophobicContact CG2-CB 3.72Å; T10-N54 PolarHBondContact OG1-ND2 3.42Å; N54-E56 VanDerWaalsContact C-N 3.27Å; N54-E56 PolarHBondContact ND2-OE1 3.06Å; N54-E56 PolarHBondContact O-N 3.1Å; N54-G61 PolarHBondContact N-O 2.99Å; N54-G61 WeakPolarHBondContact OD1-CA 3.47Å; N54-G61 PolarHBondContact OD1-O 3.15Å; N54-K63 WeakPolarHBondContact OD1-CE 3.47Å; N54-L80 HydrophobicContact CB-CD2 4.45Å
55F89.7Confident87Confident13 Ų1340.6 Ų40.66%0.05720%0.197CC..SBendtrans-90.217.8-168-72.225.2000113.6L7 D9 T10 T87 F88 S91L7-F55 HydrophobicContact CD1-CD1 4.28Å; L7-F55 HydrophobicContact CD1-CE1 4.03Å; L7-F55 HydrophobicContact CG-CE1 4.05Å; D9-F55 HydrophobicContact CB-CD2 4.43Å; D9-F55 HydrophobicContact CB-CE1 4.1Å; D9-F55 HydrophobicContact CB-CE2 3.77Å; D9-F55 HydrophobicContact CB-CZ 3.56Å; D9-F55 VanDerWaalsContact OD2-CE2 3.3Å; D9-F55 WeakPolarHBondContact OD2-CE2 3.48Å; T10-F55 PolarHBondContact OG1-N 3.48Å; F55-T87 PolarHBondContact O-OG1 3.42Å; F55-F88 HydrophobicContact CE1-CD2 4.27Å; F55-F88 HydrophobicContact CE1-CE2 4.42Å; F55-F88 HydrophobicContact CE2-CB 4.3Å; F55-F88 AromaticContact CE2-CD2 3.85Å; F55-F88 HydrophobicContact CE2-CD2 3.85Å; F55-F88 AromaticContact CZ-CD2 3.36Å; F55-F88 HydrophobicContact CZ-CD2 3.36Å; F55-F88 AromaticContact CZ-CE2 3.78Å; F55-F88 HydrophobicContact CZ-CE2 3.78Å; F55-F88 HydrophobicContact CZ-CG 4.3Å; F55-S91 VanDerWaalsContact CD1-OG 3.28Å; F55-S91 WeakPolarHBondContact CD1-OG 3.31Å; F55-S91 WeakPolarHBondContact CE1-OG 3.44Å
56E86.8Confident87.2Confident74 Ų7440.6 Ų40.635%0.34619%0.194SC..SBendtrans-80.5154.8168.1-71.9165.2-121.600111.2N54 G61 K63N54-E56 VanDerWaalsContact C-N 3.27Å; N54-E56 PolarHBondContact ND2-OE1 3.06Å; N54-E56 PolarHBondContact O-N 3.1Å; E56-G61 WeakPolarHBondContact O-CA 3.41Å; E56-K63 WeakPolarHBondContact OE1-CE 3.26Å; E56-K63 IonicContact OE1-NZ 3.73Å; E56-K63 PolarHBondContact OE1-NZ 2.91Å; E56-K63 IonicContact OE2-NZ 3.32Å; E56-K63 PolarHBondContact OE2-NZ 2.78Å
57D82.1Confident87.5Confident108 Ų10835.4 Ų35.458%0.57818%0.178SC*.PPolyproline II helixtrans-65.1147.9177.2-69.6-59.7000113F60 G61D57-F60 WeakPolarHBondContact O-CA 3.47Å; D57-F60 PolarHBondContact O-N 3.08Å; D57-G61 PolarHBondContact O-N 3.05Å
58A76.6Confident87.6Confident53 Ų5338.4 Ų38.444%0.43819%0.187SC..THydrogen-bonded Turntrans-64.1138.3175.700000111.3T94A58-T94 HydrophobicContact CB-CG2 3.88Å
59P77.2Confident87.6Confident36 Ų3640.3 Ų40.323%0.23420%0.201CC..THydrogen-bonded Turncis-85.6-11.57.534.6-37.1000114.9G61 I62 L469 S472P59-G61 VanDerWaalsContact C-N 3.26Å; P59-G61 PolarHBondContact O-N 3.36Å; P59-I62 PolarHBondContact O-N 2.92Å; P59-I62 VanDerWaalsContact O-N 3.08Å; P59-L469 HydrophobicContact CB-CD1 4.21Å; P59-S472 VanDerWaalsContact CB-OG 3.31Å; P59-S472 WeakPolarHBondContact CB-OG 3.16Å
60F81.5Confident87.4Confident73 Ų7340 Ų4032%0.3220%0.204SC..THydrogen-bonded Turntrans-67.8-24.5-170.7-53.7-72.2000113.5D57 I62 K63 K475 L477D57-F60 WeakPolarHBondContact O-CA 3.47Å; D57-F60 PolarHBondContact O-N 3.08Å; F60-I62 PolarHBondContact O-N 3.25Å; F60-I62 VanDerWaalsContact O-N 3.15Å; F60-K63 PolarHBondContact O-NZ 3.38Å; F60-K475 WeakPolarHBondContact CE1-O 3.46Å; F60-L477 HydrophobicContact CD1-CD1 4.15Å; F60-L477 HydrophobicContact CD2-CD1 3.77Å; F60-L477 HydrophobicContact CE1-CD1 3.96Å; F60-L477 HydrophobicContact CE2-CD1 3.56Å; F60-L477 HydrophobicContact CG-CD1 4.07Å; F60-L477 HydrophobicContact CZ-CD1 3.66Å
61G83.4Confident87.2Confident0 Ų041.1 Ų41.10%022%0.222CC..THydrogen-bonded Turntrans-57.1-17.8168.800000115.6V53 N54 E56 D57 P59V53-G61 CarbonylContact C-O 3.43Å; V53-G61 VanDerWaalsContact CA-O 3.25Å; V53-G61 WeakPolarHBondContact CA-O 3.47Å; V53-G61 WeakPolarHBondContact CG1-O 3.36Å; N54-G61 PolarHBondContact N-O 2.99Å; N54-G61 WeakPolarHBondContact OD1-CA 3.47Å; N54-G61 PolarHBondContact OD1-O 3.15Å; E56-G61 WeakPolarHBondContact O-CA 3.41Å; D57-G61 PolarHBondContact O-N 3.05Å; P59-G61 VanDerWaalsContact C-N 3.26Å; P59-G61 PolarHBondContact O-N 3.36Å
62I90.1Very high87Confident6 Ų643.1 Ų43.13%0.03124%0.235CC..EExtended strand (participates in β ladder)trans-101.6102.8-179.6-56163.6000109.3V53 P59 F60 T94 L98 L469 I473V53-I62 HydrophobicContact CG2-CG1 4.41Å; P59-I62 PolarHBondContact O-N 2.92Å; P59-I62 VanDerWaalsContact O-N 3.08Å; F60-I62 PolarHBondContact O-N 3.25Å; F60-I62 VanDerWaalsContact O-N 3.15Å; I62-T94 HydrophobicContact CD1-CG2 4.02Å; I62-T94 HydrophobicContact CG1-CG2 4.01Å; I62-L98 HydrophobicContact CD1-CB 4.35Å; I62-L98 HydrophobicContact CD1-CD1 4.27Å; I62-L98 HydrophobicContact CD1-CD2 4.15Å; I62-L98 HydrophobicContact CD1-CG 4.49Å; I62-L98 HydrophobicContact CG1-CD2 4.22Å; I62-L98 HydrophobicContact CG2-CD2 3.81Å; I62-L469 HydrophobicContact CD1-CD1 4.11Å; I62-L469 HydrophobicContact CD1-CD2 4.24Å; I62-L469 HydrophobicContact CD1-CG 4.49Å; I62-I473 HydrophobicContact CB-CD1 4.37Å; I62-I473 HydrophobicContact CB-CG1 4.16Å; I62-I473 HydrophobicContact CG2-CD1 3.6Å; I62-I473 HydrophobicContact CG2-CG1 3.85Å
63K88.8Confident86.9Confident35 Ų3543.2 Ų43.215%0.15224%0.235CC..EExtended strand (participates in β ladder)trans-86.6-34.6-180-53.8-51.9-170.9-155.50113L52 N54 E56 F60 E76 L80L52-K63 HydrophobicContact CB-CB 4.33Å; L52-K63 HydrophobicContact CD2-CB 4.06Å; L52-K63 HydrophobicContact CG-CB 4.15Å; L52-K63 PolarHBondContact O-N 3.27Å; N54-K63 WeakPolarHBondContact OD1-CE 3.47Å; E56-K63 WeakPolarHBondContact OE1-CE 3.26Å; E56-K63 IonicContact OE1-NZ 3.73Å; E56-K63 PolarHBondContact OE1-NZ 2.91Å; E56-K63 IonicContact OE2-NZ 3.32Å; E56-K63 PolarHBondContact OE2-NZ 2.78Å; F60-K63 PolarHBondContact O-NZ 3.38Å; K63-E76 HydrophobicContact CB-CB 3.98Å; K63-E76 HydrophobicContact CB-CG 4.32Å; K63-L80 HydrophobicContact CG-CD2 4.14Å
64A89.6Confident86.8Confident0 Ų044.9 Ų44.90%024%0.243CC..EExtended strand (participates in β ladder)trans-140.6126.9175.200000111.1M51 L52 E68 F73M51-A64 WeakPolarHBondContact CA-O 3.35Å; M51-A64 WeakPolarHBondContact CB-O 3.49Å; L52-A64 HydrophobicContact CB-CB 3.98Å; L52-A64 PolarHBondContact N-O 3.45Å; L52-A64 PolarHBondContact O-N 3.12Å; A64-E68 HydrophobicContact CB-CB 4.3Å; A64-E68 HydrophobicContact CB-CG 4.47Å; A64-F73 HydrophobicContact CB-CB 4.25Å; A64-F73 HydrophobicContact CB-CD2 4.14Å
65G88.3Confident86.8Confident5 Ų547.6 Ų47.65%0.05226%0.26CS..  trans-132.9-159.7-17500000114K67 E68G65-K67 VanDerWaalsContact C-N 3.3Å; G65-K67 PolarHBondContact O-N 3.4Å; G65-E68 PolarHBondContact O-N 2.98Å
66W85.9Confident86.8Confident21 Ų2149.5 Ų49.58%0.0827%0.269CS..THydrogen-bonded Turntrans-53.5-28.2-165.4-70.5104.2000118.5V3 M51 L98 L99 N102 E121 Y466 I470V3-W66 HydrophobicContact CG2-CH2 4.03Å; V3-W66 HydrophobicContact CG2-CZ3 3.99Å; M51-W66 HydrophobicContact CE-CD2 3.3Å; M51-W66 HydrophobicContact CE-CE3 3.39Å; M51-W66 HydrophobicContact CE-CG 3.87Å; M51-W66 HydrophobicContact CE-CH2 3.9Å; M51-W66 HydrophobicContact CE-CZ2 3.82Å; M51-W66 HydrophobicContact CE-CZ3 3.69Å; W66-L98 PolarHBondContact NE1-O 3.02Å; W66-L99 HydrophobicContact CZ2-CD2 4.25Å; W66-N102 HydrophobicContact CD2-CB 4.18Å; W66-N102 HydrophobicContact CH2-CB 3.71Å; W66-N102 HydrophobicContact CZ2-CB 3.29Å; W66-N102 HydrophobicContact CZ3-CB 4.3Å; W66-E121 HydrophobicContact CH2-CG 4.38Å; W66-E121 WeakPolarHBondContact CH2-OE1 3.14Å; W66-E121 WeakPolarHBondContact CZ3-OE1 3.29Å; W66-Y466 HydrophobicContact CB-CE2 4.41Å; W66-Y466 AromaticContact CD1-CE2 3.62Å; W66-Y466 HydrophobicContact CD2-CE2 4.49Å; W66-Y466 AromaticContact CG-CE2 3.94Å; W66-Y466 HydrophobicContact CG-CE2 3.94Å; W66-I470 HydrophobicContact CB-CD1 4.03Å
67K85.3Confident87.1Confident126 Ų12646 Ų4655%0.54825%0.252SS..THydrogen-bonded Turntrans-106.23.3-178.5-60.3-174.9-166.2154.80113.1G65 D467 I470G65-K67 VanDerWaalsContact C-N 3.3Å; G65-K67 PolarHBondContact O-N 3.4Å; K67-D467 IonicContact NZ-OD1 3.4Å; K67-D467 PolarHBondContact NZ-OD1 2.98Å; K67-I470 HydrophobicContact CB-CG2 4.5Å; K67-I470 HydrophobicContact CD-CD1 4.41Å; K67-I470 HydrophobicContact CD-CG2 3.68Å; K67-I470 HydrophobicContact CG-CD1 4.32Å; K67-I470 HydrophobicContact CG-CG2 4.12Å
68E85.3Confident87.6Confident83 Ų8347.3 Ų47.339%0.38825%0.249SC..  trans-83151.9-171.8-74.7-52140.100115.3A64 G65 T72A64-E68 HydrophobicContact CB-CB 4.3Å; A64-E68 HydrophobicContact CB-CG 4.47Å; G65-E68 PolarHBondContact O-N 2.98Å; E68-T72 WeakPolarHBondContact OE2-CB 3.39Å; E68-T72 VanDerWaalsContact OE2-CG2 3.23Å; E68-T72 WeakPolarHBondContact OE2-CG2 3.47Å; E68-T72 PolarHBondContact OE2-OG1 3.41Å
69S88.6Confident88.2Confident58 Ų5848.9 Ų48.941%0.40625%0.25SS..  trans-83.7153.9176.980.60000111.9A71 T72 F73S69-A71 PolarHBondContact O-N 3.29Å; S69-A71 PolarHBondContact OG-N 3.4Å; S69-T72 PolarHBondContact N-OG1 3.3Å; S69-T72 WeakPolarHBondContact O-CB 3.27Å; S69-T72 PolarHBondContact O-N 2.9Å; S69-T72 PolarHBondContact OG-N 3.09Å; S69-T72 PolarHBondContact OG-OG1 2.88Å; S69-F73 PolarHBondContact O-N 3.27Å
70H87.8Confident88.9Confident104 Ų10447.6 Ų47.648%0.48124%0.241SC..Hα-helixtrans-57.4-30.4170.1178.677.7000112.2M74H70-M74 WeakPolarHBondContact O-CB 3.36Å; H70-M74 VanDerWaalsContact O-CG 3.32Å; H70-M74 WeakPolarHBondContact O-CG 3.45Å; H70-M74 PolarHBondContact O-N 3.05Å
71A88.9Confident89.3Confident64 Ų6450 Ų5053%0.52925%0.254SS..Hα-helixtrans-70.4-35.3174.200000112.8S69 T75S69-A71 PolarHBondContact O-N 3.29Å; S69-A71 PolarHBondContact OG-N 3.4Å; A71-T75 WeakPolarHBondContact O-CB 3.33Å; A71-T75 PolarHBondContact O-N 3.26Å; A71-T75 VanDerWaalsContact O-N 3.14Å; A71-T75 PolarHBondContact O-OG1 3.31Å
72T89.9Confident89.6Confident45 Ų4550.4 Ų50.428%0.27626%0.257SS..Hα-helixtrans-64-52.2171.3-35.10000109.6E68 S69 M74 T75 E76E68-T72 WeakPolarHBondContact OE2-CB 3.39Å; E68-T72 VanDerWaalsContact OE2-CG2 3.23Å; E68-T72 WeakPolarHBondContact OE2-CG2 3.47Å; E68-T72 PolarHBondContact OE2-OG1 3.41Å; S69-T72 PolarHBondContact N-OG1 3.3Å; S69-T72 WeakPolarHBondContact O-CB 3.27Å; S69-T72 PolarHBondContact O-N 2.9Å; S69-T72 PolarHBondContact OG-N 3.09Å; S69-T72 PolarHBondContact OG-OG1 2.88Å; T72-M74 PolarHBondContact O-N 2.69Å; T72-T75 WeakPolarHBondContact O-CB 3.35Å; T72-T75 PolarHBondContact O-N 3.35Å; T72-E76 PolarHBondContact O-N 2.99Å
73F92.6Very high89.4Confident2 Ų254.9 Ų54.91%0.00929%0.285CS..Hα-helixtrans-51.9-52.2178174-83.4000111.8F6 V32 M36 M51 L52 A64 S69 T75 E76 L77F6-F73 AromaticContact CD2-CE2 3.75Å; F6-F73 HydrophobicContact CD2-CE2 3.75Å; F6-F73 AromaticContact CD2-CZ 3.47Å; F6-F73 HydrophobicContact CD2-CZ 3.47Å; F6-F73 VanDerWaalsContact CD2-CZ 3.47Å; F6-F73 HydrophobicContact CE2-CE2 4.37Å; F6-F73 AromaticContact CE2-CZ 3.82Å; F6-F73 HydrophobicContact CE2-CZ 3.82Å; F6-F73 HydrophobicContact CG-CZ 4.38Å; V32-F73 HydrophobicContact CG1-CE1 4.1Å; V32-F73 HydrophobicContact CG1-CZ 3.9Å; M36-F73 HydrophobicContact CE-CD1 3.58Å; M36-F73 HydrophobicContact CE-CE1 3.24Å; M36-F73 HydrophobicContact CE-CG 4.45Å; M36-F73 HydrophobicContact CE-CZ 3.87Å; M36-F73 HydrophobicContact SD-CD1 4.2Å; M36-F73 HydrophobicContact SD-CE1 3.64Å; M36-F73 HydrophobicContact SD-CZ 4.5Å; M51-F73 WeakPolarHBondContact O-CE2 3.4Å; L52-F73 HydrophobicContact CB-CD2 3.9Å; L52-F73 HydrophobicContact CB-CE2 3.77Å; A64-F73 HydrophobicContact CB-CB 4.25Å; A64-F73 HydrophobicContact CB-CD2 4.14Å; S69-F73 PolarHBondContact O-N 3.27Å; F73-T75 PolarHBondContact O-N 2.92Å; F73-E76 PolarHBondContact O-N 3.27Å; F73-L77 HydrophobicContact CE1-CD2 3.94Å; F73-L77 HydrophobicContact CZ-CD2 4.46Å; F73-L77 VanDerWaalsContact O-CB 3.25Å; F73-L77 WeakPolarHBondContact O-CB 3.38Å; F73-L77 PolarHBondContact O-N 2.82Å
74M92.7Very high89.2Confident35 Ų3555.1 Ų55.117%0.17230%0.297CS..Hα-helixtrans-66.5-22.2180-74.2-62.3-64.400113.2E33 M36 H70 T72 L77 R78E33-M74 HydrophobicContact CG-CE 4.06Å; M36-M74 HydrophobicContact SD-SD 3.82Å; H70-M74 WeakPolarHBondContact O-CB 3.36Å; H70-M74 VanDerWaalsContact O-CG 3.32Å; H70-M74 WeakPolarHBondContact O-CG 3.45Å; H70-M74 PolarHBondContact O-N 3.05Å; T72-M74 PolarHBondContact O-N 2.69Å; M74-L77 HydrophobicContact SD-CD2 4.2Å; M74-R78 WeakPolarHBondContact O-CG 3.49Å; M74-R78 PolarHBondContact O-NE 3.05Å
75T91Very high89.2Confident58 Ų5859.1 Ų59.136%0.35632%0.318SS..Hα-helixtrans-81.1-47.2176.4-59.70000110.8A71 T72 F73 R78 N79A71-T75 WeakPolarHBondContact O-CB 3.33Å; A71-T75 PolarHBondContact O-N 3.26Å; A71-T75 VanDerWaalsContact O-N 3.14Å; A71-T75 PolarHBondContact O-OG1 3.31Å; T72-T75 WeakPolarHBondContact O-CB 3.35Å; T72-T75 PolarHBondContact O-N 3.35Å; F73-T75 PolarHBondContact O-N 2.92Å; T75-R78 PolarHBondContact O-N 3.43Å; T75-R78 PolarHBondContact OG1-NH2 3.04Å; T75-N79 PolarHBondContact O-N 3.17Å; T75-N79 PolarHBondContact O-ND2 3.28Å
76E90.1Very high89.2Confident53 Ų5359.2 Ų59.225%0.24832%0.317CS..Hα-helixtrans-66.3-38.8176.5-69.2-56.1102.500112.6L52 K63 T72 F73 R78 N79 L80L52-E76 HydrophobicContact CD2-CB 4.18Å; K63-E76 HydrophobicContact CB-CB 3.98Å; K63-E76 HydrophobicContact CB-CG 4.32Å; T72-E76 PolarHBondContact O-N 2.99Å; F73-E76 PolarHBondContact O-N 3.27Å; E76-R78 VanDerWaalsContact C-N 3.29Å; E76-R78 PolarHBondContact O-N 3.02Å; E76-N79 PolarHBondContact O-N 3.23Å; E76-N79 PolarHBondContact OE1-ND2 2.88Å; E76-L80 WeakPolarHBondContact O-CG 3.23Å; E76-L80 PolarHBondContact O-N 3.15Å
77L93.6Very high89.3Confident1 Ų159.9 Ų59.91%0.00532%0.324CS..Hα-helixtrans-54.4-44.1173.5179.664.8000112.1I8 K29 V32 L52 F73 M74 L80I8-L77 HydrophobicContact CD1-CD1 3.41Å; I8-L77 VanDerWaalsContact CD1-CD1 3.41Å; K29-L77 WeakPolarHBondContact CE-O 3.49Å; K29-L77 HydrophobicContact CG-CD1 4.28Å; K29-L77 HydrophobicContact CG-CG 4.49Å; V32-L77 HydrophobicContact CB-CD1 4.38Å; V32-L77 HydrophobicContact CB-CD2 4.09Å; V32-L77 HydrophobicContact CG1-CD1 4.26Å; V32-L77 HydrophobicContact CG1-CD2 3.61Å; L52-L77 HydrophobicContact CD1-CD1 4.46Å; L52-L77 HydrophobicContact CD2-CB 4.17Å; F73-L77 HydrophobicContact CE1-CD2 3.94Å; F73-L77 HydrophobicContact CZ-CD2 4.46Å; F73-L77 VanDerWaalsContact O-CB 3.25Å; F73-L77 WeakPolarHBondContact O-CB 3.38Å; F73-L77 PolarHBondContact O-N 2.82Å; M74-L77 HydrophobicContact SD-CD2 4.2Å; L77-L80 HydrophobicContact CD1-CD1 4.3Å
78R91.8Very high89.4Confident136 Ų13654.2 Ų54.251%0.51330%0.299SS..Hα-helixtrans-69-40176.5-73.8177.2-68.3171.51.5111.3K29 M74 T75 E76 L80K29-R78 PolarHBondContact NZ-O 3.4Å; M74-R78 WeakPolarHBondContact O-CG 3.49Å; M74-R78 PolarHBondContact O-NE 3.05Å; T75-R78 PolarHBondContact O-N 3.43Å; T75-R78 PolarHBondContact OG1-NH2 3.04Å; E76-R78 VanDerWaalsContact C-N 3.29Å; E76-R78 PolarHBondContact O-N 3.02Å; R78-L80 VanDerWaalsContact C-N 3.34Å; R78-L80 PolarHBondContact O-N 2.88Å
79N90.4Very high89.6Confident86 Ų8650.7 Ų50.746%0.4629%0.285SS..Hα-helixtrans-68.5-21.6-179.2-68.6-22.5000114.8T75 E76 Q81T75-N79 PolarHBondContact O-N 3.17Å; T75-N79 PolarHBondContact O-ND2 3.28Å; E76-N79 PolarHBondContact O-N 3.23Å; E76-N79 PolarHBondContact OE1-ND2 2.88Å; N79-Q81 PolarHBondContact O-N 2.89Å; N79-Q81 PolarHBondContact O-NE2 3.04Å
80L91.2Very high89.6Confident8 Ų851.4 Ų51.44%0.04228%0.282CS..  trans-49137.3-179-64.7-177.3000112.8I8 T10 K29 L52 N54 K63 E76 L77 R78I8-L80 HydrophobicContact CB-CD1 4.15Å; I8-L80 HydrophobicContact CD1-CD1 3.96Å; I8-L80 HydrophobicContact CG2-CD1 4.1Å; T10-L80 HydrophobicContact CG2-CB 4.33Å; T10-L80 HydrophobicContact CG2-CD1 4.28Å; T10-L80 HydrophobicContact CG2-CD2 4.33Å; K29-L80 PolarHBondContact NZ-O 3.45Å; L52-L80 HydrophobicContact CD1-CD1 4.32Å; L52-L80 HydrophobicContact CD2-CD1 4.29Å; L52-L80 HydrophobicContact CD2-CD2 4.3Å; L52-L80 HydrophobicContact CD2-CG 4.41Å; N54-L80 HydrophobicContact CB-CD2 4.45Å; K63-L80 HydrophobicContact CG-CD2 4.14Å; E76-L80 WeakPolarHBondContact O-CG 3.23Å; E76-L80 PolarHBondContact O-N 3.15Å; L77-L80 HydrophobicContact CD1-CD1 4.3Å; R78-L80 VanDerWaalsContact C-N 3.34Å; R78-L80 PolarHBondContact O-N 2.88Å
81Q89.4Confident89.7Confident124 Ų12446.6 Ų46.658%0.57926%0.26SS*.  trans-118.6144.9176.1-55.1-61.3-66.300109.5T10 N79 T83T10-Q81 WeakPolarHBondContact CB-O 3.48Å; N79-Q81 PolarHBondContact O-N 2.89Å; N79-Q81 PolarHBondContact O-NE2 3.04Å; Q81-T83 HydrophobicContact CB-CG2 4.32Å; Q81-T83 PolarHBondContact O-N 3.5Å; Q81-T83 VanDerWaalsContact O-N 3.12Å
82A90.6Very high89.8Confident9 Ų943.6 Ų43.67%0.07424%0.235CC..  trans-84.478.617500000109.7T10 S11 M14 N15 L25T10-A82 CarbonylContact O-C 3.31Å; S11-A82 CarbonylContact O-C 3.55Å; S11-A82 WeakPolarHBondContact O-CB 3.37Å; M14-A82 HydrophobicContact CB-CB 4.17Å; N15-A82 VanDerWaalsContact ND2-CB 3.34Å; N15-A82 WeakPolarHBondContact ND2-CB 3.5Å; N15-A82 PolarHBondContact ND2-O 3.4Å; N15-A82 WeakPolarHBondContact OD1-CB 3.36Å; L25-A82 HydrophobicContact CB-CB 4.36Å; L25-A82 HydrophobicContact CD2-CB 3.74Å
83T85.4Confident89.8Confident100 Ų10041.9 Ų41.961%0.61322%0.224SC*.  trans-138.6104.1-178.653.50000110.5T10 Q81T10-T83 CarbonylContact O-C 3.52Å; T10-T83 PolarHBondContact O-N 3.25Å; Q81-T83 HydrophobicContact CB-CG2 4.32Å; Q81-T83 PolarHBondContact O-N 3.5Å; Q81-T83 VanDerWaalsContact O-N 3.12Å
84G85.8Confident89.6Confident39 Ų3942.2 Ų42.240%0.40223%0.226SC..SBendtrans160.1-171.8178.200000113.3T10 S11 A12T10-G84 PolarHBondContact O-N 2.86Å; S11-G84 CarbonylContact C-O 3.42Å; S11-G84 WeakPolarHBondContact CA-O 3.46Å; A12-G84 PolarHBondContact N-O 3.23Å
85L88.7Confident89.6Confident84 Ų8440.6 Ų40.644%0.4422%0.218SC..  trans-98.7164170.8-61.3178000110.3T87L85-T87 HydrophobicContact CB-CG2 4.09Å; L85-T87 PolarHBondContact O-N 3.3Å
86T87.9Confident89.6Confident7 Ų737.8 Ų37.84%0.04320%0.201CC..  trans-81.760.117541.90000111.7S11 F88 K133 T135S11-T86 VanDerWaalsContact CB-CG2 3.44Å; S11-T86 VanDerWaalsContact OG-CG2 3.23Å; S11-T86 WeakPolarHBondContact OG-CG2 3.46Å; T86-F88 PolarHBondContact O-N 3.12Å; T86-K133 PolarHBondContact OG1-O 2.9Å; T86-T135 CarbonylContact C-O 3.49Å; T86-T135 VanDerWaalsContact C-O 3.31Å; T86-T135 PolarHBondContact N-OG1 2.8Å; T86-T135 PolarHBondContact OG1-N 3.47Å; T86-T135 PolarHBondContact OG1-OG1 2.88Å
87T87.9Confident89.6Confident36 Ų3636.3 Ų36.322%0.22119%0.194CC..  trans-72.741-17945.70000114F55 L85 G89 Q90 S91F55-T87 PolarHBondContact O-OG1 3.42Å; L85-T87 HydrophobicContact CB-CG2 4.09Å; L85-T87 PolarHBondContact O-N 3.3Å; T87-G89 VanDerWaalsContact C-N 3.28Å; T87-G89 PolarHBondContact O-N 2.77Å; T87-G89 VanDerWaalsContact O-N 3.1Å; T87-Q90 PolarHBondContact O-N 3.07Å; T87-S91 PolarHBondContact O-N 3.34Å; T87-S91 VanDerWaalsContact O-N 3.16Å
88F88.9Confident89.4Confident6 Ų636.3 Ų36.33%0.02620%0.195CC..Hα-helixtrans-52.9-40.7-167.9-163.3-78.3000113.8L7 F55 T86 Q90 S91 L92 A127 L134 L144 I196L7-F88 HydrophobicContact CD2-CE1 4.43Å; L7-F88 HydrophobicContact CD2-CE2 4.3Å; L7-F88 HydrophobicContact CD2-CZ 3.84Å; F55-F88 HydrophobicContact CE1-CD2 4.27Å; F55-F88 HydrophobicContact CE1-CE2 4.42Å; F55-F88 HydrophobicContact CE2-CB 4.3Å; F55-F88 AromaticContact CE2-CD2 3.85Å; F55-F88 HydrophobicContact CE2-CD2 3.85Å; F55-F88 AromaticContact CZ-CD2 3.36Å; F55-F88 HydrophobicContact CZ-CD2 3.36Å; F55-F88 AromaticContact CZ-CE2 3.78Å; F55-F88 HydrophobicContact CZ-CE2 3.78Å; F55-F88 HydrophobicContact CZ-CG 4.3Å; T86-F88 PolarHBondContact O-N 3.12Å; F88-Q90 PolarHBondContact O-N 3.07Å; F88-S91 PolarHBondContact O-N 3.38Å; F88-S91 PolarHBondContact O-OG 3.29Å; F88-L92 HydrophobicContact CD1-CB 4.23Å; F88-L92 HydrophobicContact CE1-CB 3.86Å; F88-L92 HydrophobicContact CE1-CD2 3.84Å; F88-L92 HydrophobicContact CE1-CG 4.33Å; F88-L92 VanDerWaalsContact O-CB 3.29Å; F88-L92 WeakPolarHBondContact O-CB 3.31Å; F88-L92 PolarHBondContact O-N 3.07Å; F88-A127 HydrophobicContact CE2-CB 4.04Å; F88-A127 HydrophobicContact CZ-CB 3.75Å; F88-L134 HydrophobicContact CB-CD2 3.86Å; F88-L144 HydrophobicContact CB-CD1 4.25Å; F88-L144 HydrophobicContact CD1-CD1 3.81Å; F88-L144 HydrophobicContact CD1-CD2 3.71Å; F88-L144 HydrophobicContact CD1-CG 4.44Å; F88-L144 HydrophobicContact CE1-CD2 4.03Å; F88-L144 HydrophobicContact CG-CD1 4.46Å; F88-I196 HydrophobicContact CE1-CD1 3.71Å; F88-I196 HydrophobicContact CE1-CG1 4.1Å; F88-I196 HydrophobicContact CE2-CD1 3.65Å; F88-I196 HydrophobicContact CZ-CD1 3.18Å; F88-I196 HydrophobicContact CZ-CG1 4.07Å
89G88.6Confident89.3Confident9 Ų930 Ų309%0.09317%0.171CC..Hα-helixtrans-64.4-37.1-179.900000113.7T87 R93 L146T87-G89 VanDerWaalsContact C-N 3.28Å; T87-G89 PolarHBondContact O-N 2.77Å; T87-G89 VanDerWaalsContact O-N 3.1Å; G89-R93 WeakPolarHBondContact O-CB 3.27Å; G89-R93 PolarHBondContact O-N 3.07Å; G89-R93 VanDerWaalsContact O-N 3.13Å; G89-L146 WeakPolarHBondContact O-CD2 3.45Å
90Q88.2Confident89.3Confident74 Ų7426.5 Ų26.535%0.34615%0.152SC..Hα-helixtrans-78.1-36.5179.6-178.561.29.200111.8T87 F88 T94T87-Q90 PolarHBondContact O-N 3.07Å; F88-Q90 PolarHBondContact O-N 3.07Å; Q90-T94 WeakPolarHBondContact O-CB 3.24Å; Q90-T94 PolarHBondContact O-N 3.42Å; Q90-T94 PolarHBondContact O-OG1 2.88Å
91S89.7Confident89Confident3 Ų326.7 Ų26.72%0.02115%0.153CC..Hα-helixtrans-74-41.7178.865.60000112.2F55 T87 F88 T94 A95F55-S91 VanDerWaalsContact CD1-OG 3.28Å; F55-S91 WeakPolarHBondContact CD1-OG 3.31Å; F55-S91 WeakPolarHBondContact CE1-OG 3.44Å; T87-S91 PolarHBondContact O-N 3.34Å; T87-S91 VanDerWaalsContact O-N 3.16Å; F88-S91 PolarHBondContact O-N 3.38Å; F88-S91 PolarHBondContact O-OG 3.29Å; S91-T94 PolarHBondContact O-N 3.48Å; S91-A95 PolarHBondContact O-N 3.15Å
92L91.3Very high88.9Confident0 Ų021.3 Ų21.30%013%0.129CC..Hα-helixtrans-63.3-41.4171.4-179.862.9000111.6L7 F88 T94 A95 F96 I125 L146 L168 M199L7-L92 HydrophobicContact CD2-CB 3.89Å; L7-L92 HydrophobicContact CD2-CD1 3.84Å; L7-L92 HydrophobicContact CD2-CG 4.48Å; F88-L92 HydrophobicContact CD1-CB 4.23Å; F88-L92 HydrophobicContact CE1-CB 3.86Å; F88-L92 HydrophobicContact CE1-CD2 3.84Å; F88-L92 HydrophobicContact CE1-CG 4.33Å; F88-L92 VanDerWaalsContact O-CB 3.29Å; F88-L92 WeakPolarHBondContact O-CB 3.31Å; F88-L92 PolarHBondContact O-N 3.07Å; L92-T94 PolarHBondContact O-N 3.29Å; L92-A95 WeakPolarHBondContact O-CB 3.39Å; L92-A95 PolarHBondContact O-N 3.03Å; L92-F96 HydrophobicContact CD1-CD2 4.34Å; L92-F96 HydrophobicContact CD1-CE1 4.5Å; L92-F96 HydrophobicContact CD1-CE2 3.81Å; L92-F96 HydrophobicContact CD1-CZ 3.88Å; L92-F96 HydrophobicContact CD2-CE2 3.8Å; L92-F96 HydrophobicContact CD2-CZ 4.25Å; L92-F96 HydrophobicContact CG-CD2 4.02Å; L92-F96 HydrophobicContact CG-CE2 3.53Å; L92-F96 HydrophobicContact CG-CZ 4.1Å; L92-F96 WeakPolarHBondContact O-CD2 3.44Å; L92-F96 PolarHBondContact O-N 3.13Å; L92-I125 HydrophobicContact CD1-CD1 3.87Å; L92-I125 HydrophobicContact CD1-CG2 4.25Å; L92-L146 HydrophobicContact CB-CD2 4.46Å; L92-L146 HydrophobicContact CD2-CD2 4.23Å; L92-L168 HydrophobicContact CD1-CD1 4Å; L92-L168 HydrophobicContact CD1-CD2 4.33Å; L92-L168 HydrophobicContact CD2-CD2 3.87Å; L92-M199 HydrophobicContact CD2-CG 3.86Å
93R89.3Confident88.8Confident10 Ų1021 Ų214%0.03813%0.126CC..Hα-helixtrans-60.6-43.8174.2173.962.8-161.3-53.5-38.4111.9G89 A95 F96 D97 P147 T149G89-R93 WeakPolarHBondContact O-CB 3.27Å; G89-R93 PolarHBondContact O-N 3.07Å; G89-R93 VanDerWaalsContact O-N 3.13Å; R93-A95 VanDerWaalsContact C-N 3.3Å; R93-A95 PolarHBondContact O-N 3.02Å; R93-F96 PolarHBondContact O-N 3.34Å; R93-D97 IonicContact CZ-OD1 2.98Å; R93-D97 IonicContact CZ-OD2 3.88Å; R93-D97 IonicContact NE-OD1 2.98Å; R93-D97 PolarHBondContact NE-OD1 3.46Å; R93-D97 IonicContact NE-OD2 3.93Å; R93-D97 PolarHBondContact NE-OD2 2.7Å; R93-D97 IonicContact NH2-OD1 3.47Å; R93-D97 PolarHBondContact NH2-OD1 3.28Å; R93-D97 IonicContact NH2-OD2 3.2Å; R93-D97 PolarHBondContact NH2-OD2 2.99Å; R93-D97 WeakPolarHBondContact O-CB 3.48Å; R93-D97 VanDerWaalsContact O-CG 3.26Å; R93-D97 PolarHBondContact O-N 3.26Å; R93-P147 PolarHBondContact NH1-O 3.06Å; R93-T149 PolarHBondContact NH1-O 2.63Å
94T89.7Confident88.6Confident9 Ų917.3 Ų17.36%0.05510%0.102CC..Hα-helixtrans-61-37.4174.6-60.40000112A58 I62 Q90 S91 L92 L98A58-T94 HydrophobicContact CB-CG2 3.88Å; I62-T94 HydrophobicContact CD1-CG2 4.02Å; I62-T94 HydrophobicContact CG1-CG2 4.01Å; Q90-T94 WeakPolarHBondContact O-CB 3.24Å; Q90-T94 PolarHBondContact O-N 3.42Å; Q90-T94 PolarHBondContact O-OG1 2.88Å; S91-T94 PolarHBondContact O-N 3.48Å; L92-T94 PolarHBondContact O-N 3.29Å; T94-L98 WeakPolarHBondContact O-CB 3.36Å; T94-L98 PolarHBondContact O-N 2.98Å
95A92.1Very high88.5Confident0 Ų017.5 Ų17.50%010%0.095CC..Hα-helixtrans-66.2-44.2174.800000112.7L5 V53 S91 L92 R93 L98 L99 I125L5-A95 HydrophobicContact CD1-CB 3.88Å; L5-A95 HydrophobicContact CD2-CB 3.69Å; L5-A95 HydrophobicContact CG-CB 4.49Å; V53-A95 HydrophobicContact CG2-CB 4.44Å; S91-A95 PolarHBondContact O-N 3.15Å; L92-A95 WeakPolarHBondContact O-CB 3.39Å; L92-A95 PolarHBondContact O-N 3.03Å; R93-A95 VanDerWaalsContact C-N 3.3Å; R93-A95 PolarHBondContact O-N 3.02Å; A95-L98 PolarHBondContact O-N 3.17Å; A95-L99 WeakPolarHBondContact O-CG 3.35Å; A95-L99 PolarHBondContact O-N 2.93Å; A95-L99 VanDerWaalsContact O-N 3.16Å; A95-I125 HydrophobicContact CB-CD1 4.26Å
96F91.8Very high88.3Confident0 Ų017.2 Ų17.20%010%0.097CC..Hα-helixtrans-62.6-43.4173.7-70.7-48.9000112L92 R93 L98 L99 N100 I125 L146 P161 F162 T203L92-F96 HydrophobicContact CD1-CD2 4.34Å; L92-F96 HydrophobicContact CD1-CE1 4.5Å; L92-F96 HydrophobicContact CD1-CE2 3.81Å; L92-F96 HydrophobicContact CD1-CZ 3.88Å; L92-F96 HydrophobicContact CD2-CE2 3.8Å; L92-F96 HydrophobicContact CD2-CZ 4.25Å; L92-F96 HydrophobicContact CG-CD2 4.02Å; L92-F96 HydrophobicContact CG-CE2 3.53Å; L92-F96 HydrophobicContact CG-CZ 4.1Å; L92-F96 WeakPolarHBondContact O-CD2 3.44Å; L92-F96 PolarHBondContact O-N 3.13Å; R93-F96 PolarHBondContact O-N 3.34Å; F96-L98 PolarHBondContact O-N 3.14Å; F96-L99 PolarHBondContact O-N 2.99Å; F96-N100 WeakPolarHBondContact O-CB 3.42Å; F96-N100 PolarHBondContact O-N 2.94Å; F96-N100 PolarHBondContact O-ND2 3.32Å; F96-I125 HydrophobicContact CD1-CD1 3.76Å; F96-I125 HydrophobicContact CE1-CD1 3.52Å; F96-I125 HydrophobicContact CZ-CD1 4.2Å; F96-L146 HydrophobicContact CE2-CD1 4.31Å; F96-P161 HydrophobicContact CD2-CB 4.21Å; F96-P161 HydrophobicContact CD2-CG 4.29Å; F96-F162 HydrophobicContact CD1-CB 3.92Å; F96-F162 HydrophobicContact CE1-CB 3.53Å; F96-F162 HydrophobicContact CE2-CB 4.34Å; F96-F162 HydrophobicContact CZ-CB 3.77Å; F96-T203 HydrophobicContact CZ-CG2 4.46Å
97D89.5Confident88Confident21 Ų2119.2 Ų19.211%0.11212%0.119CC..Hα-helixtrans-59.9-46.3177.7-73.7-7.4000111.7R93 L99 N100 L101 L152R93-D97 IonicContact CZ-OD1 2.98Å; R93-D97 IonicContact CZ-OD2 3.88Å; R93-D97 IonicContact NE-OD1 2.98Å; R93-D97 PolarHBondContact NE-OD1 3.46Å; R93-D97 IonicContact NE-OD2 3.93Å; R93-D97 PolarHBondContact NE-OD2 2.7Å; R93-D97 IonicContact NH2-OD1 3.47Å; R93-D97 PolarHBondContact NH2-OD1 3.28Å; R93-D97 IonicContact NH2-OD2 3.2Å; R93-D97 PolarHBondContact NH2-OD2 2.99Å; R93-D97 WeakPolarHBondContact O-CB 3.48Å; R93-D97 VanDerWaalsContact O-CG 3.26Å; R93-D97 PolarHBondContact O-N 3.26Å; D97-L99 VanDerWaalsContact C-N 3.3Å; D97-L99 PolarHBondContact O-N 2.73Å; D97-N100 PolarHBondContact O-N 3.01Å; D97-L101 WeakPolarHBondContact O-CG 3.35Å; D97-L101 PolarHBondContact O-N 3.06Å; D97-L152 HydrophobicContact CB-CD1 3.92Å; D97-L152 HydrophobicContact CB-CD2 3.57Å; D97-L152 HydrophobicContact CB-CG 4.4Å; D97-L152 WeakPolarHBondContact OD2-CD1 3.29Å
98L89.4Confident87.9Confident2 Ų218.9 Ų18.91%0.0112%0.115CC..Hα-helixtrans-58.2-38.9175.5174.162.3000112.7L5 M51 V53 I62 W66 T94 A95 F96 L469L5-L98 HydrophobicContact CD1-CD2 4.3Å; M51-L98 HydrophobicContact SD-CD2 4.14Å; M51-L98 HydrophobicContact SD-CG 4.49Å; V53-L98 HydrophobicContact CG2-CD2 4.21Å; I62-L98 HydrophobicContact CD1-CB 4.35Å; I62-L98 HydrophobicContact CD1-CD1 4.27Å; I62-L98 HydrophobicContact CD1-CD2 4.15Å; I62-L98 HydrophobicContact CD1-CG 4.49Å; I62-L98 HydrophobicContact CG1-CD2 4.22Å; I62-L98 HydrophobicContact CG2-CD2 3.81Å; W66-L98 PolarHBondContact NE1-O 3.02Å; T94-L98 WeakPolarHBondContact O-CB 3.36Å; T94-L98 PolarHBondContact O-N 2.98Å; A95-L98 PolarHBondContact O-N 3.17Å; F96-L98 PolarHBondContact O-N 3.14Å; L98-L469 HydrophobicContact CD1-CD2 4.03Å
99L90.6Very high87.7Confident4 Ų419.7 Ų19.72%0.02112%0.12CC..Hα-helixtrans-72.4-44.8177.1-68.6171.1000111.7V3 L5 M51 W66 A95 F96 D97 L101 N102 A123 I125 Q166V3-L99 HydrophobicContact CB-CD2 4.47Å; V3-L99 HydrophobicContact CG1-CD2 3.83Å; L5-L99 HydrophobicContact CD1-CD1 4.18Å; L5-L99 HydrophobicContact CD1-CD2 4.27Å; L5-L99 HydrophobicContact CD1-CG 4.06Å; M51-L99 HydrophobicContact SD-CD2 4.32Å; W66-L99 HydrophobicContact CZ2-CD2 4.25Å; A95-L99 WeakPolarHBondContact O-CG 3.35Å; A95-L99 PolarHBondContact O-N 2.93Å; A95-L99 VanDerWaalsContact O-N 3.16Å; F96-L99 PolarHBondContact O-N 2.99Å; D97-L99 VanDerWaalsContact C-N 3.3Å; D97-L99 PolarHBondContact O-N 2.73Å; L99-L101 PolarHBondContact O-N 2.99Å; L99-N102 PolarHBondContact O-N 3.47Å; L99-A123 HydrophobicContact CD1-CB 3.89Å; L99-A123 HydrophobicContact CD2-CB 3.93Å; L99-I125 HydrophobicContact CD1-CD1 4.13Å; L99-I125 HydrophobicContact CD1-CG1 4.14Å; L99-Q166 HydrophobicContact CD1-CG 4.43Å
100N89.6Confident87.5Confident12 Ų1220.5 Ų20.56%0.06412%0.122CC..Hα-helixtrans-66.7-34.7-176.1-72.7-27.7000113.5F96 D97 N102 R103 L104 P161 R163 Q166F96-N100 WeakPolarHBondContact O-CB 3.42Å; F96-N100 PolarHBondContact O-N 2.94Å; F96-N100 PolarHBondContact O-ND2 3.32Å; D97-N100 PolarHBondContact O-N 3.01Å; N100-N102 VanDerWaalsContact C-N 3.29Å; N100-N102 PolarHBondContact O-N 3.27Å; N100-R103 PolarHBondContact O-N 3.43Å; N100-R103 VanDerWaalsContact O-N 3.16Å; N100-L104 PolarHBondContact O-N 3.04Å; N100-P161 PolarHBondContact ND2-O 3.39Å; N100-R163 WeakPolarHBondContact OD1-CG 3.46Å; N100-R163 PolarHBondContact OD1-NE 3.35Å; N100-Q166 PolarHBondContact OD1-NE2 3.09Å
101L85.8Confident87.5Confident11 Ų1117.5 Ų17.56%0.05811%0.108CC..Hα-helixtrans-56.2-40.9178.2-75.6168.3000112.4D97 L99 R103 V105 L152 T462 Y466 L469D97-L101 WeakPolarHBondContact O-CG 3.35Å; D97-L101 PolarHBondContact O-N 3.06Å; L99-L101 PolarHBondContact O-N 2.99Å; L101-R103 PolarHBondContact O-N 2.9Å; L101-V105 WeakPolarHBondContact O-CG2 3.42Å; L101-V105 PolarHBondContact O-N 3.24Å; L101-L152 HydrophobicContact CD2-CD2 4.01Å; L101-L152 HydrophobicContact CD2-CG 4.21Å; L101-L152 HydrophobicContact CG-CD2 3.92Å; L101-T462 HydrophobicContact CB-CG2 4.47Å; L101-T462 HydrophobicContact CD2-CG2 3.67Å; L101-T462 WeakPolarHBondContact O-CG2 3.44Å; L101-Y466 HydrophobicContact CB-CD2 4.19Å; L101-L469 HydrophobicContact CD1-CD2 3.6Å
102N86.6Confident87.3Confident12 Ų1217.4 Ų17.46%0.06411%0.108CC..Hα-helixtrans-69.5-32.6-179.9-172.567.4000112.9W66 L99 N100 L104 V105 T106 E121 Y466W66-N102 HydrophobicContact CD2-CB 4.18Å; W66-N102 HydrophobicContact CH2-CB 3.71Å; W66-N102 HydrophobicContact CZ2-CB 3.29Å; W66-N102 HydrophobicContact CZ3-CB 4.3Å; L99-N102 PolarHBondContact O-N 3.47Å; N100-N102 VanDerWaalsContact C-N 3.29Å; N100-N102 PolarHBondContact O-N 3.27Å; N102-L104 PolarHBondContact O-N 2.89Å; N102-V105 PolarHBondContact O-N 3.3Å; N102-T106 WeakPolarHBondContact O-CB 3.34Å; N102-T106 WeakPolarHBondContact O-CG2 3.36Å; N102-T106 PolarHBondContact O-N 2.95Å; N102-T106 PolarHBondContact O-OG1 3.32Å; N102-E121 VanDerWaalsContact ND2-CD 3.25Å; N102-E121 PolarHBondContact ND2-OE1 3.32Å; N102-E121 PolarHBondContact ND2-OE2 3.21Å; N102-Y466 HydrophobicContact CB-CE2 4.04Å; N102-Y466 PolarHBondContact OD1-OH 3.49Å
103R87.9Confident87.1Confident3 Ų322.6 Ų22.61%0.01113%0.132CC..Hα-helixtrans-65.6-38.2-178.7-59.2177.263.187.7-3.7113.1N100 L101 T106 G107 I108 D109 D165N100-R103 PolarHBondContact O-N 3.43Å; N100-R103 VanDerWaalsContact O-N 3.16Å; L101-R103 PolarHBondContact O-N 2.9Å; R103-T106 WeakPolarHBondContact CA-OG1 3.31Å; R103-T106 PolarHBondContact O-OG1 3.23Å; R103-G107 PolarHBondContact O-N 2.88Å; R103-I108 PolarHBondContact O-N 3.3Å; R103-I108 VanDerWaalsContact O-N 3.07Å; R103-D109 WeakPolarHBondContact CB-OD2 3.46Å; R103-D109 IonicContact CZ-OD1 2.75Å; R103-D109 IonicContact CZ-OD2 3.93Å; R103-D109 IonicContact NE-OD1 3.88Å; R103-D109 PolarHBondContact NE-OD1 3.04Å; R103-D109 IonicContact NE-OD2 2.71Å; R103-D109 PolarHBondContact NE-OD2 3.25Å; R103-D109 IonicContact NH2-OD1 2.68Å; R103-D109 PolarHBondContact NH2-OD1 3.48Å; R103-D109 IonicContact NH2-OD2 2.78Å; R103-D165 IonicContact CZ-OD1 2.8Å; R103-D165 VanDerWaalsContact CZ-OD1 3.31Å; R103-D165 IonicContact CZ-OD2 2.66Å; R103-D165 IonicContact NH1-OD1 3.74Å; R103-D165 PolarHBondContact NH1-OD1 2.79Å; R103-D165 IonicContact NH1-OD2 3.31Å; R103-D165 PolarHBondContact NH1-OD2 2.78Å; R103-D165 IonicContact NH2-OD1 3.71Å; R103-D165 PolarHBondContact NH2-OD1 3.34Å; R103-D165 IonicContact NH2-OD2 2.67Å
104L81.6Confident87.1Confident22 Ų2222.1 Ų22.112%0.11513%0.13CC..Hα-helixtrans-74.9-24.5176.3-69.3174.1000112.9N100 N102 Y111 S459 T462N100-L104 PolarHBondContact O-N 3.04Å; N102-L104 PolarHBondContact O-N 2.89Å; L104-Y111 HydrophobicContact CD2-CE2 3.9Å; L104-S459 PolarHBondContact O-OG 3.39Å; L104-T462 HydrophobicContact CB-CG2 3.57Å; L104-T462 HydrophobicContact CD1-CG2 4Å; L104-T462 HydrophobicContact CG-CG2 4.42Å
105V84.1Confident87.1Confident43 Ų4322.5 Ų22.526%0.26113%0.13SC..Hα-helixtrans-82-36.8173.41760000112L101 N102 T462 K463 Y466L101-V105 WeakPolarHBondContact O-CG2 3.42Å; L101-V105 PolarHBondContact O-N 3.24Å; N102-V105 PolarHBondContact O-N 3.3Å; V105-T462 HydrophobicContact CG2-CG2 4.1Å; V105-K463 HydrophobicContact CG1-CB 4.46Å; V105-K463 HydrophobicContact CG1-CG 4.23Å; V105-K463 HydrophobicContact CG2-CB 3.94Å; V105-K463 HydrophobicContact CG2-CG 4.43Å; V105-Y466 HydrophobicContact CG2-CG 4.31Å
106T84Confident87.1Confident78 Ų7823.3 Ų23.348%0.47914%0.135SC..Hα-helixtrans-80.5-17176.950.40000113.5N102 R103 I108N102-T106 WeakPolarHBondContact O-CB 3.34Å; N102-T106 WeakPolarHBondContact O-CG2 3.36Å; N102-T106 PolarHBondContact O-N 2.95Å; N102-T106 PolarHBondContact O-OG1 3.32Å; R103-T106 WeakPolarHBondContact CA-OG1 3.31Å; R103-T106 PolarHBondContact O-OG1 3.23Å; T106-I108 WeakPolarHBondContact OG1-CD1 3.5Å; T106-I108 WeakPolarHBondContact OG1-CG1 3.39Å
107G81.8Confident86.9Confident49 Ų4923.5 Ų23.551%0.50514%0.136SC..THydrogen-bonded Turntrans80.321178.200000114.4R103R103-G107 PolarHBondContact O-N 2.88Å
108I86.5Confident86.8Confident28 Ų2823.7 Ų23.714%0.14414%0.136CC..  trans-66.2-44.8179.8-68.5172000111R103 T106 N110 F119 E121R103-I108 PolarHBondContact O-N 3.3Å; R103-I108 VanDerWaalsContact O-N 3.07Å; T106-I108 WeakPolarHBondContact OG1-CD1 3.5Å; T106-I108 WeakPolarHBondContact OG1-CG1 3.39Å; I108-N110 PolarHBondContact O-N 3.11Å; I108-F119 HydrophobicContact CG2-CB 4.24Å; I108-E121 HydrophobicContact CD1-CB 3.71Å
109D84.8Confident86.8Confident23 Ų2328.1 Ų28.112%0.12316%0.155CC..SBendtrans-82.481.5-177.4-67.7-41.9000111.2R103 Y111 R163R103-D109 WeakPolarHBondContact CB-OD2 3.46Å; R103-D109 IonicContact CZ-OD1 2.75Å; R103-D109 IonicContact CZ-OD2 3.93Å; R103-D109 IonicContact NE-OD1 3.88Å; R103-D109 PolarHBondContact NE-OD1 3.04Å; R103-D109 IonicContact NE-OD2 2.71Å; R103-D109 PolarHBondContact NE-OD2 3.25Å; R103-D109 IonicContact NH2-OD1 2.68Å; R103-D109 PolarHBondContact NH2-OD1 3.48Å; R103-D109 IonicContact NH2-OD2 2.78Å; D109-Y111 HydrophobicContact CB-CD2 4.42Å; D109-Y111 HydrophobicContact CB-CE2 3.74Å; D109-Y111 WeakPolarHBondContact O-CD2 3.44Å; D109-Y111 WeakPolarHBondContact O-CE2 3.47Å; D109-Y111 PolarHBondContact O-N 2.9Å; D109-R163 IonicContact OD2-NE 3.43Å; D109-R163 IonicContact OD2-NH1 2.86Å
110N84.2Confident86.6Confident26 Ų2629.5 Ų29.514%0.13916%0.162CC..  trans-7970.6-175.568.1-46.9000113I108 G112 Q113 G114 N116 R300I108-N110 PolarHBondContact O-N 3.11Å; N110-G112 PolarHBondContact O-N 3.09Å; N110-Q113 HydrophobicContact CB-CB 4.45Å; N110-Q113 PolarHBondContact ND2-O 3.11Å; N110-Q113 PolarHBondContact O-N 3.19Å; N110-G114 VanDerWaalsContact CG-O 3.32Å; N110-G114 PolarHBondContact ND2-O 3.49Å; N110-G114 PolarHBondContact OD1-O 2.85Å; N110-G114 VanDerWaalsContact OD1-O 3.14Å; N110-N116 PolarHBondContact ND2-ND2 3.27Å; N110-R300 PolarHBondContact O-NH2 3.32Å
111Y87.9Confident86.5Confident11 Ų1130 Ų304%0.04317%0.165CC..THydrogen-bonded Turntrans-53130.4-177.5-64.9-80.6000113.6L104 D109 Q113 L157 T158 R163 R300 L447 L455L104-Y111 HydrophobicContact CD2-CE2 3.9Å; D109-Y111 HydrophobicContact CB-CD2 4.42Å; D109-Y111 HydrophobicContact CB-CE2 3.74Å; D109-Y111 WeakPolarHBondContact O-CD2 3.44Å; D109-Y111 WeakPolarHBondContact O-CE2 3.47Å; D109-Y111 PolarHBondContact O-N 2.9Å; Y111-Q113 VanDerWaalsContact C-N 3.31Å; Y111-Q113 PolarHBondContact O-N 3.21Å; Y111-L157 HydrophobicContact CD1-CB 3.79Å; Y111-L157 HydrophobicContact CD1-CD1 4.21Å; Y111-L157 HydrophobicContact CD2-CD1 3.7Å; Y111-L157 HydrophobicContact CE1-CB 3.47Å; Y111-L157 VanDerWaalsContact CE1-CB 3.47Å; Y111-L157 HydrophobicContact CE1-CD1 4.37Å; Y111-L157 WeakPolarHBondContact CE1-O 3.32Å; Y111-L157 HydrophobicContact CE2-CB 4.29Å; Y111-L157 HydrophobicContact CE2-CD1 3.88Å; Y111-L157 HydrophobicContact CG-CB 4.32Å; Y111-L157 HydrophobicContact CG-CD1 3.88Å; Y111-T158 PolarHBondContact OH-OG1 3.25Å; Y111-T158 VanDerWaalsContact OH-OG1 3.07Å; Y111-R163 PolarHBondContact OH-NH1 3.01Å; Y111-R300 HydrophobicContact CD1-CG 4.41Å; Y111-L447 VanDerWaalsContact O-CD1 3.27Å; Y111-L447 WeakPolarHBondContact O-CD1 3.34Å; Y111-L455 HydrophobicContact CD2-CD2 4.17Å; Y111-L455 HydrophobicContact CG-CD2 4.47Å
112G85.1Confident86.7Confident2 Ų229.9 Ų29.92%0.02116%0.164CC..THydrogen-bonded Turntrans76.33.2179.300000116.3N110N110-G112 PolarHBondContact O-N 3.09Å
113Q87.2Confident87Confident109 Ų10929.4 Ų29.451%0.50916%0.162SC..SBendtrans-114.729.1-178.8-65.6-170.1-29.900113.9N110 Y111 Y421 L447N110-Q113 HydrophobicContact CB-CB 4.45Å; N110-Q113 PolarHBondContact ND2-O 3.11Å; N110-Q113 PolarHBondContact O-N 3.19Å; Y111-Q113 VanDerWaalsContact C-N 3.31Å; Y111-Q113 PolarHBondContact O-N 3.21Å; Q113-Y421 VanDerWaalsContact C-CD2 3.45Å; Q113-L447 HydrophobicContact CG-CD1 4.47Å
114G89Confident87.3Confident0 Ų029.3 Ų29.30%016%0.162CC..  trans70.9172.1-170.100000112.2N110 E286 R300N110-G114 VanDerWaalsContact CG-O 3.32Å; N110-G114 PolarHBondContact ND2-O 3.49Å; N110-G114 PolarHBondContact OD1-O 2.85Å; N110-G114 VanDerWaalsContact OD1-O 3.14Å; G114-E286 WeakPolarHBondContact CA-OE1 3.23Å; G114-E286 PolarHBondContact N-OE1 2.98Å; G114-R300 PolarHBondContact O-NH2 3.23Å; G114-R300 VanDerWaalsContact O-NH2 3.16Å
115R90.4Very high87.9Confident16 Ų1628.3 Ų28.36%0.0616%0.156CC..BIsolated β-bridgetrans-106.9120.8178.6-50.3-175.5-177-148.44.5110.3P117 W164 P283 I284 E286 S301 A302R115-P117 WeakPolarHBondContact O-CD 3.39Å; R115-W164 HydrophobicContact CB-CH2 3.54Å; R115-W164 HydrophobicContact CB-CZ2 4.33Å; R115-W164 HydrophobicContact CB-CZ3 3.66Å; R115-P283 CarbonylContact O-C 3.46Å; R115-P283 VanDerWaalsContact O-CA 3.27Å; R115-P283 WeakPolarHBondContact O-CA 3.26Å; R115-P283 WeakPolarHBondContact O-CB 3.41Å; R115-I284 HydrophobicContact CB-CB 4.48Å; R115-I284 PolarHBondContact N-O 2.92Å; R115-I284 PolarHBondContact O-N 3.1Å; R115-E286 WeakPolarHBondContact CG-OE1 3.37Å; R115-S301 VanDerWaalsContact CZ-O 3.23Å; R115-S301 PolarHBondContact NH1-O 3.26Å; R115-S301 PolarHBondContact NH2-O 3.32Å; R115-S301 PolarHBondContact NH2-OG 3.17Å; R115-A302 PolarHBondContact NH1-O 3.49Å
116N90.6Very high88.5Confident17 Ų1726.3 Ų26.39%0.09114%0.144CC..  trans-95.8108-176.4-69.1-62.7000111.4N110 F118 F119 W164N110-N116 PolarHBondContact ND2-ND2 3.27Å; N116-F118 HydrophobicContact CB-CD1 4.39Å; N116-F118 HydrophobicContact CB-CD2 4.26Å; N116-F118 HydrophobicContact CB-CE1 3.96Å; N116-F118 HydrophobicContact CB-CE2 3.81Å; N116-F118 HydrophobicContact CB-CZ 3.65Å; N116-F118 PolarHBondContact O-N 3.25Å; N116-F118 WeakPolarHBondContact OD1-CZ 3.44Å; N116-F119 HydrophobicContact CB-CB 4.19Å; N116-F119 HydrophobicContact CB-CD2 3.7Å; N116-F119 HydrophobicContact CB-CE2 4.21Å; N116-F119 HydrophobicContact CB-CG 3.9Å; N116-F119 PolarHBondContact O-N 3.22Å; N116-W164 WeakPolarHBondContact O-CZ2 2.94Å
117P88.9Confident89Confident4 Ų422.7 Ų22.73%0.02612%0.122CC..THydrogen-bonded Turntrans-64.7-16.1-175.9-21.834.9000114.2R115 L120 W164 V231 V269 I284 Y326R115-P117 WeakPolarHBondContact O-CD 3.39Å; P117-L120 WeakPolarHBondContact O-CD1 3.23Å; P117-L120 VanDerWaalsContact O-CG 3.32Å; P117-L120 WeakPolarHBondContact O-CG 3.34Å; P117-W164 HydrophobicContact CB-CH2 4.42Å; P117-W164 HydrophobicContact CG-CH2 4.26Å; P117-V231 HydrophobicContact CB-CG2 4.32Å; P117-V269 HydrophobicContact CB-CG2 4.33Å; P117-I284 HydrophobicContact CG-CD1 3.88Å; P117-I284 HydrophobicContact CG-CG1 3.93Å; P117-Y326 HydrophobicContact CB-CE1 4.42Å; P117-Y326 HydrophobicContact CB-CE2 4.4Å; P117-Y326 HydrophobicContact CG-CE2 4.33Å
118F87.9Confident89.6Confident26 Ų2620.5 Ų20.511%0.11410%0.099CC..THydrogen-bonded Turntrans-89.4-7.9177.248.5-89.2000113.7N116 L120 P278 G280N116-F118 HydrophobicContact CB-CD1 4.39Å; N116-F118 HydrophobicContact CB-CD2 4.26Å; N116-F118 HydrophobicContact CB-CE1 3.96Å; N116-F118 HydrophobicContact CB-CE2 3.81Å; N116-F118 HydrophobicContact CB-CZ 3.65Å; N116-F118 PolarHBondContact O-N 3.25Å; N116-F118 WeakPolarHBondContact OD1-CZ 3.44Å; F118-L120 PolarHBondContact O-N 2.79Å; F118-P278 HydrophobicContact CB-CB 4.11Å; F118-P278 HydrophobicContact CB-CG 4.36Å; F118-P278 WeakPolarHBondContact O-CG 3.48Å; F118-G280 VanDerWaalsContact CD1-CA 3.42Å
119F88.3Confident89.9Confident94 Ų9419.6 Ų19.641%0.41210%0.095SC..SBendtrans-91.493.8169.9-68.7-12.3000109.1I108 N116I108-F119 HydrophobicContact CG2-CB 4.24Å; N116-F119 HydrophobicContact CB-CB 4.19Å; N116-F119 HydrophobicContact CB-CD2 3.7Å; N116-F119 HydrophobicContact CB-CE2 4.21Å; N116-F119 HydrophobicContact CB-CG 3.9Å; N116-F119 PolarHBondContact O-N 3.22Å
120L86.4Confident90.1Very high33 Ų3318.6 Ų18.617%0.1739%0.09CC..  trans-125.5125.9-164.2-87.8163.4000112.3P117 F118 D165 V231 V269 P278P117-L120 WeakPolarHBondContact O-CD1 3.23Å; P117-L120 VanDerWaalsContact O-CG 3.32Å; P117-L120 WeakPolarHBondContact O-CG 3.34Å; F118-L120 PolarHBondContact O-N 2.79Å; L120-D165 HydrophobicContact CD2-CB 3.72Å; L120-V231 HydrophobicContact CD2-CG2 3.83Å; L120-V269 HydrophobicContact CD1-CB 3.55Å; L120-V269 HydrophobicContact CD1-CG1 3.48Å; L120-V269 VanDerWaalsContact CD1-CG1 3.48Å; L120-V269 HydrophobicContact CD1-CG2 4.14Å; L120-P278 HydrophobicContact CD1-CG 4.35Å
121E87.8Confident90Very high24 Ų2418.1 Ų18.111%0.1129%0.091CC..  trans-123.375.8160.4-176.4156.1-120.800107.7V3 W66 N102 I108 A123 D165V3-E121 HydrophobicContact CG2-CG 4.21Å; W66-E121 HydrophobicContact CH2-CG 4.38Å; W66-E121 WeakPolarHBondContact CH2-OE1 3.14Å; W66-E121 WeakPolarHBondContact CZ3-OE1 3.29Å; N102-E121 VanDerWaalsContact ND2-CD 3.25Å; N102-E121 PolarHBondContact ND2-OE1 3.32Å; N102-E121 PolarHBondContact ND2-OE2 3.21Å; I108-E121 HydrophobicContact CD1-CB 3.71Å; E121-A123 PolarHBondContact O-N 2.94Å; E121-A123 VanDerWaalsContact O-N 3.12Å; E121-D165 PolarHBondContact N-OD2 3.28Å
122P89.1Confident89.6Confident7 Ų721.6 Ų21.65%0.04511%0.11CC..  trans-72113.7-167.427.6-29.6000109.2P2 V3 D165P2-P122 CarbonylContact C-O 3.6Å; P2-P122 WeakPolarHBondContact CA-O 3.38Å; P2-P122 HydrophobicContact CB-CG 4.25Å; V3-P122 PolarHBondContact N-O 3.34Å; P122-D165 CarbonylContact C-O 3.56Å; P122-D165 WeakPolarHBondContact CA-O 3.26Å
123A92.8Very high89.5Confident2 Ų227.7 Ų27.72%0.01714%0.136CC..EExtended strand (participates in β ladder)trans-113.5138.3-175.100000110.6V3 L99 E121 D165 Q166 R167V3-A123 HydrophobicContact CB-CB 4.12Å; V3-A123 CarbonylContact O-C 3.56Å; V3-A123 VanDerWaalsContact O-CA 3.28Å; V3-A123 WeakPolarHBondContact O-CA 3.44Å; L99-A123 HydrophobicContact CD1-CB 3.89Å; L99-A123 HydrophobicContact CD2-CB 3.93Å; E121-A123 PolarHBondContact O-N 2.94Å; E121-A123 VanDerWaalsContact O-N 3.12Å; A123-D165 PolarHBondContact N-O 2.85Å; A123-Q166 HydrophobicContact CB-CG 4.11Å; A123-Q166 VanDerWaalsContact O-CA 3.31Å; A123-Q166 WeakPolarHBondContact O-CA 3.3Å; A123-R167 PolarHBondContact O-N 2.98Å
124I93.9Very high89.4Confident2 Ų223.4 Ų23.41%0.0112%0.117CC..EExtended strand (participates in β ladder)trans-124.6118178.7-58.4-175.6000107.8V3 L4 L5 I126 R167 F169 I227V3-I124 PolarHBondContact O-N 3.03Å; L4-I124 HydrophobicContact CD2-CB 4.14Å; L5-I124 PolarHBondContact N-O 2.68Å; I124-I126 HydrophobicContact CG2-CG1 4.14Å; I124-R167 WeakPolarHBondContact CA-O 3.45Å; I124-F169 HydrophobicContact CG2-CD2 3.54Å; I124-F169 HydrophobicContact CG2-CE2 3.78Å; I124-I227 HydrophobicContact CD1-CB 4.07Å; I124-I227 HydrophobicContact CD1-CG1 3.98Å; I124-I227 HydrophobicContact CD1-CG2 3.87Å
125I95.7Very high89.1Confident0 Ų025.3 Ų25.30%013%0.129CC..EExtended strand (participates in β ladder)trans-90.3122.8172-56.2178.1000107.2L5 L7 L92 A95 F96 L99 R167 L168 F169L5-I125 HydrophobicContact CB-CG1 4.43Å; L5-I125 HydrophobicContact CD2-CG1 4.46Å; L5-I125 HydrophobicContact CD2-CG2 4.12Å; L5-I125 CarbonylContact O-C 3.36Å; L5-I125 VanDerWaalsContact O-CA 3.32Å; L5-I125 WeakPolarHBondContact O-CA 3.4Å; L7-I125 HydrophobicContact CB-CG2 3.93Å; L7-I125 HydrophobicContact CD2-CG2 4.3Å; L92-I125 HydrophobicContact CD1-CD1 3.87Å; L92-I125 HydrophobicContact CD1-CG2 4.25Å; A95-I125 HydrophobicContact CB-CD1 4.26Å; F96-I125 HydrophobicContact CD1-CD1 3.76Å; F96-I125 HydrophobicContact CE1-CD1 3.52Å; F96-I125 HydrophobicContact CZ-CD1 4.2Å; L99-I125 HydrophobicContact CD1-CD1 4.13Å; L99-I125 HydrophobicContact CD1-CG1 4.14Å; I125-R167 PolarHBondContact N-O 2.95Å; I125-L168 HydrophobicContact CB-CD1 3.73Å; I125-L168 HydrophobicContact CG2-CD1 3.48Å; I125-L168 VanDerWaalsContact CG2-CD1 3.48Å; I125-F169 PolarHBondContact O-N 2.64Å
126I95.9Very high88.7Confident2 Ų225.4 Ų25.41%0.0114%0.135CC..EExtended strand (participates in β ladder)trans-108.498.5172.2-58.8172.9000106.3L4 L5 F6 L7 F35 I124 I128 F169 L171 L223L4-I126 HydrophobicContact CD2-CD1 4.41Å; L5-I126 PolarHBondContact O-N 2.99Å; F6-I126 HydrophobicContact CD1-CB 3.92Å; F6-I126 HydrophobicContact CD1-CD1 4.33Å; F6-I126 HydrophobicContact CD1-CG2 4.19Å; F6-I126 HydrophobicContact CE1-CB 4.15Å; F6-I126 HydrophobicContact CE1-CD1 3.7Å; F6-I126 HydrophobicContact CE1-CG1 4.48Å; F6-I126 HydrophobicContact CE1-CG2 4.31Å; F6-I126 HydrophobicContact CZ-CD1 4.29Å; L7-I126 PolarHBondContact N-O 3.43Å; F35-I126 HydrophobicContact CD2-CD1 4.46Å; F35-I126 HydrophobicContact CE1-CD1 3.92Å; F35-I126 HydrophobicContact CE2-CD1 3.83Å; F35-I126 HydrophobicContact CZ-CD1 3.47Å; F35-I126 VanDerWaalsContact CZ-CD1 3.47Å; I124-I126 HydrophobicContact CG2-CG1 4.14Å; I126-I128 HydrophobicContact CG2-CG1 4.28Å; I126-F169 WeakPolarHBondContact CA-O 3.07Å; I126-L171 HydrophobicContact CG2-CD1 4Å; I126-L171 HydrophobicContact CG2-CG 4.28Å; I126-L223 HydrophobicContact CD1-CD1 4.42Å; I126-L223 HydrophobicContact CD1-CD2 3.69Å; I126-L223 HydrophobicContact CG1-CD1 4.37Å; I126-L223 HydrophobicContact CG1-CD2 4.07Å; I126-L223 HydrophobicContact CG2-CD1 4.38Å
127A95Very high88.1Confident1 Ų128.8 Ų28.81%0.00817%0.173CC..EExtended strand (participates in β ladder)trans-82.4131.2174.600000109.9L7 F88 L168 F169 A170 L171 I196L7-A127 HydrophobicContact CB-CB 4.4Å; L7-A127 HydrophobicContact CD2-CB 4.33Å; L7-A127 VanDerWaalsContact O-CA 3.31Å; L7-A127 WeakPolarHBondContact O-CA 3.46Å; F88-A127 HydrophobicContact CE2-CB 4.04Å; F88-A127 HydrophobicContact CZ-CB 3.75Å; A127-L168 HydrophobicContact CB-CD1 3.99Å; A127-F169 PolarHBondContact N-O 3.2Å; A127-A170 CarbonylContact O-C 3.56Å; A127-A170 WeakPolarHBondContact O-CA 3.43Å; A127-L171 PolarHBondContact O-N 3.45Å; A127-I196 HydrophobicContact CB-CD1 3.96Å
128I95.1Very high87.7Confident3 Ų333.9 Ų33.92%0.01521%0.209CC..EExtended strand (participates in β ladder)trans-124.8119.9174.6-45-176.4000108.2L7 D9 A28 V32 I126 L171 L173L7-I128 PolarHBondContact O-N 2.97Å; D9-I128 WeakPolarHBondContact CB-O 3.29Å; D9-I128 PolarHBondContact N-O 3.01Å; A28-I128 HydrophobicContact CB-CB 4.35Å; A28-I128 HydrophobicContact CB-CD1 4.37Å; A28-I128 HydrophobicContact CB-CG2 3.7Å; V32-I128 HydrophobicContact CG2-CD1 3.74Å; I126-I128 HydrophobicContact CG2-CG1 4.28Å; I128-L171 WeakPolarHBondContact CA-O 3.13Å; I128-L171 HydrophobicContact CD1-CD1 4.22Å; I128-L171 HydrophobicContact CG1-CB 4.29Å; I128-L171 HydrophobicContact CG1-CD1 4.18Å; I128-L171 HydrophobicContact CG2-CB 4.31Å; I128-L173 HydrophobicContact CG2-CD1 4.04Å; I128-L173 HydrophobicContact CG2-CG 4.18Å
129S92.4Very high87.5Confident10 Ų1034.3 Ų34.37%0.0722%0.22CC..EExtended strand (participates in β ladder)trans-150.2171.8-176.2179.90000109.8D9 L171 V172 L173D9-S129 WeakPolarHBondContact OD2-CB 3.4Å; D9-S129 PolarHBondContact OD2-OG 3.11Å; S129-L171 PolarHBondContact N-O 2.97Å; S129-V172 WeakPolarHBondContact O-CA 3.46Å; S129-L173 PolarHBondContact O-N 2.85Å
130D89.3Confident87.4Confident2 Ų234.4 Ų34.41%0.01123%0.229CC..  trans-81.1-17.317466.82.9000113.4S13 M14 Q16 Y24 N132 V172S13-D130 WeakPolarHBondContact CB-OD2 3.47Å; S13-D130 PolarHBondContact OG-OD2 3.1Å; M14-D130 HydrophobicContact SD-CB 4.09Å; Q16-D130 PolarHBondContact NE2-OD2 2.88Å; Y24-D130 HydrophobicContact CD2-CB 3.72Å; Y24-D130 HydrophobicContact CE2-CB 3.72Å; D130-N132 PolarHBondContact O-N 3.14Å; D130-N132 WeakPolarHBondContact OD1-CB 3.49Å; D130-N132 PolarHBondContact OD1-N 3.27Å; D130-N132 PolarHBondContact OD2-ND2 2.82Å; D130-V172 WeakPolarHBondContact O-CG1 3.49Å
131G80.3Confident87.2Confident16 Ų1636.7 Ų36.717%0.16524%0.239CC..  trans69.313.8-177.300000114.7S194G131-S194 PolarHBondContact O-OG 3.23Å
132N80.4Confident86.7Confident84 Ų8440.2 Ų40.245%0.44926%0.258SS..  trans-70.2-177.9170.5-74.3-49000110.7D130D130-N132 PolarHBondContact O-N 3.14Å; D130-N132 WeakPolarHBondContact OD1-CB 3.49Å; D130-N132 PolarHBondContact OD1-N 3.27Å; D130-N132 PolarHBondContact OD2-ND2 2.82Å
133K82.6Confident86.3Confident130 Ų13046.3 Ų46.357%0.56529%0.286SS*.  trans-58.3138.6178.4-61-67-172.3173.50111.5T86 V140 D142T86-K133 PolarHBondContact OG1-O 2.9Å; K133-V140 HydrophobicContact CB-CG1 3.62Å; K133-V140 HydrophobicContact CG-CG1 4.24Å; K133-D142 WeakPolarHBondContact CD-OD1 3.43Å; K133-D142 WeakPolarHBondContact CE-OD1 3.18Å; K133-D142 IonicContact NZ-OD1 3.29Å; K133-D142 PolarHBondContact NZ-OD1 3.18Å
134L84.6Confident85.8Confident18 Ų1847.4 Ų47.49%0.09429%0.292CS..EExtended strand (participates in β ladder)trans-75.1146.3179.3-57.2178.4000109.9F88 V140 Q141 L144 P195F88-L134 HydrophobicContact CB-CD2 3.86Å; L134-V140 CarbonylContact O-C 3.54Å; L134-V140 WeakPolarHBondContact O-CA 3.45Å; L134-Q141 HydrophobicContact CB-CB 4.34Å; L134-Q141 WeakPolarHBondContact CB-O 3.36Å; L134-Q141 PolarHBondContact N-O 3.46Å; L134-Q141 PolarHBondContact O-N 2.96Å; L134-L144 HydrophobicContact CD1-CB 3.99Å; L134-L144 HydrophobicContact CD1-CD1 3.93Å; L134-P195 HydrophobicContact CD1-CB 4.26Å
135T83.7Confident85.1Confident41 Ų4153.5 Ų53.525%0.25232%0.319SS..EExtended strand (participates in β ladder)trans-131.9125-178.1560000110.7T86 V140T86-T135 CarbonylContact C-O 3.49Å; T86-T135 VanDerWaalsContact C-O 3.31Å; T86-T135 PolarHBondContact N-OG1 2.8Å; T86-T135 PolarHBondContact OG1-N 3.47Å; T86-T135 PolarHBondContact OG1-OG1 2.88Å; T135-V140 HydrophobicContact CG2-CG2 4.38Å
136G80.9Confident84.3Confident18 Ų1854.5 Ų54.519%0.18633%0.325CS..EExtended strand (participates in β ladder)trans-115.5175.9172.500000111.2S138 G139G136-S138 PolarHBondContact O-N 3.33Å; G136-G139 PolarHBondContact N-O 3.31Å; G136-G139 PolarHBondContact O-N 3.4Å
137G78.2Confident83Confident87 Ų8756.7 Ų56.790%0.89734%0.339SS*.THydrogen-bonded Turntrans-62.3-12.1-179.700000115.4
138S80.9Confident81.5Confident111 Ų11163.4 Ų63.478%0.77637%0.374SS*.THydrogen-bonded Turntrans-100.9-9.1176.154.60000114.7G136G136-S138 PolarHBondContact O-N 3.33Å
139G84.4Confident79.7Confident35 Ų3568.9 Ų68.936%0.36141%0.408SS..EExtended strand (participates in β ladder)trans137.8-158.5-176.600000114.2G136G136-G139 PolarHBondContact N-O 3.31Å; G136-G139 PolarHBondContact O-N 3.4Å
140V86.1Confident78.1Confident97 Ų9771.1 Ų71.159%0.58842%0.421SS*.EExtended strand (participates in β ladder)trans-82.2143.8179.3-175.50000110.4K133 L134 T135K133-V140 HydrophobicContact CB-CG1 3.62Å; K133-V140 HydrophobicContact CG-CG1 4.24Å; L134-V140 CarbonylContact O-C 3.54Å; L134-V140 WeakPolarHBondContact O-CA 3.45Å; T135-V140 HydrophobicContact CG2-CG2 4.38Å
141Q81.9Confident77Confident81 Ų8176.4 Ų76.438%0.37946%0.455SS..EExtended strand (participates in β ladder)trans-127.3133.3174.7-64.8-178.1-3.200110.3L134L134-Q141 HydrophobicContact CB-CB 4.34Å; L134-Q141 WeakPolarHBondContact CB-O 3.36Å; L134-Q141 PolarHBondContact N-O 3.46Å; L134-Q141 PolarHBondContact O-N 2.96Å
142D78.4Confident76.7Confident98 Ų9877.1 Ų77.152%0.52446%0.455SS..SBendtrans-89.3-28.4177.4-69.4-60000113.1K133 P195K133-D142 WeakPolarHBondContact CD-OD1 3.43Å; K133-D142 WeakPolarHBondContact CE-OD1 3.18Å; K133-D142 IonicContact NZ-OD1 3.29Å; K133-D142 PolarHBondContact NZ-OD1 3.18Å; D142-P195 WeakPolarHBondContact O-CG 3.21Å
143E80.4Confident76.6Confident135 Ų13574 Ų7463%0.63144%0.44SS*.SBendtrans-113.7131.8-177-65.9-172.916200112.4H145E143-H145 PolarHBondContact O-N 2.64Å; E143-H145 PolarHBondContact O-ND1 2.94Å; E143-H145 IonicContact OE2-CE1 2.7Å; E143-H145 PolarHBondContact OE2-CE1 3.37Å
144L81.4Confident76.3Confident25 Ų2567.8 Ų67.813%0.13141%0.413CS..  trans-76.386.1-179.6178.555.4000111.9F88 L134 P195 M199F88-L144 HydrophobicContact CB-CD1 4.25Å; F88-L144 HydrophobicContact CD1-CD1 3.81Å; F88-L144 HydrophobicContact CD1-CD2 3.71Å; F88-L144 HydrophobicContact CD1-CG 4.44Å; F88-L144 HydrophobicContact CE1-CD2 4.03Å; F88-L144 HydrophobicContact CG-CD1 4.46Å; L134-L144 HydrophobicContact CD1-CB 3.99Å; L134-L144 HydrophobicContact CD1-CD1 3.93Å; L144-P195 HydrophobicContact CB-CB 4.01Å; L144-P195 WeakPolarHBondContact CB-O 3.07Å; L144-M199 HydrophobicContact CD2-CB 4.47Å
145H79.8Confident76.1Confident129 Ų12968.1 Ų68.160%0.59742%0.417SS*.  trans-85.2124.6170.2-75.483.5000111.4E143E143-H145 PolarHBondContact O-N 2.64Å; E143-H145 PolarHBondContact O-ND1 2.94Å; E143-H145 IonicContact OE2-CE1 2.7Å; E143-H145 PolarHBondContact OE2-CE1 3.37Å
146L79.1Confident76.2Confident22 Ų2270.3 Ų70.312%0.11542%0.424CS..  trans-82.8129.1167.2-61.1-178.2000108.9G89 L92 F96 L148 P161 M199G89-L146 WeakPolarHBondContact O-CD2 3.45Å; L92-L146 HydrophobicContact CB-CD2 4.46Å; L92-L146 HydrophobicContact CD2-CD2 4.23Å; F96-L146 HydrophobicContact CE2-CD1 4.31Å; L146-L148 PolarHBondContact O-N 3.41Å; L146-P161 HydrophobicContact CD1-CG 3.64Å; L146-M199 HydrophobicContact CD1-CE 3.66Å; L146-M199 HydrophobicContact CD1-SD 4.07Å; L146-M199 HydrophobicContact CG-CE 3.98Å
147P68.7Low76.5Confident47 Ų4769.9 Ų69.931%0.30542%0.417SS..  trans-64.4112.5176.324-30.7000109.7R93 T149R93-P147 PolarHBondContact NH1-O 3.06Å; P147-T149 PolarHBondContact O-N 3Å
148L63.5Low77Confident142 Ų14266.3 Ų66.374%0.74338%0.378SS*.  trans-75.1-6.6-175.5-65.5176.5000113.6L146 T150L146-L148 PolarHBondContact O-N 3.41Å; L148-T150 PolarHBondContact O-N 2.88Å
149T56.9Low77.4Confident118 Ų11867.9 Ų67.972%0.72437%0.371SS*.  trans-70.995170.849.40000109.9R93 P147 P151R93-T149 PolarHBondContact NH1-O 2.63Å; P147-T149 PolarHBondContact O-N 3Å; T149-P151 WeakPolarHBondContact O-CD 3.48Å
150T58.5Low77.6Confident57 Ų5768.8 Ų68.835%0.3537%0.366SS..  trans-89.6111.4173.340.20000111L148 L152 S155L148-T150 PolarHBondContact O-N 2.88Å; T150-L152 PolarHBondContact O-N 3.23Å; T150-S155 VanDerWaalsContact CB-CB 3.41Å; T150-S155 WeakPolarHBondContact CB-OG 3.47Å; T150-S155 VanDerWaalsContact OG1-CB 3.23Å; T150-S155 WeakPolarHBondContact OG1-CB 3.38Å; T150-S155 PolarHBondContact OG1-OG 3.16Å
151P65.7Low77.7Confident113 Ų11365.4 Ų65.473%0.73435%0.346SS*.  trans-80-3.8167.834.9-33.9000112.1T149T149-P151 WeakPolarHBondContact O-CD 3.48Å
152L74.9Confident78.1Confident31 Ų3162 Ų6216%0.16233%0.33CS..SBendtrans-72.5129.5179.2-93.769.9000110.8D97 L101 T150 G154 S155D97-L152 HydrophobicContact CB-CD1 3.92Å; D97-L152 HydrophobicContact CB-CD2 3.57Å; D97-L152 HydrophobicContact CB-CG 4.4Å; D97-L152 WeakPolarHBondContact OD2-CD1 3.29Å; L101-L152 HydrophobicContact CD2-CD2 4.01Å; L101-L152 HydrophobicContact CD2-CG 4.21Å; L101-L152 HydrophobicContact CG-CD2 3.92Å; T150-L152 PolarHBondContact O-N 3.23Å; L152-G154 PolarHBondContact O-N 2.86Å; L152-S155 WeakPolarHBondContact O-CB 3.35Å; L152-S155 PolarHBondContact O-N 2.77Å; L152-S155 PolarHBondContact O-OG 2.9Å
153P77.2Confident78.8Confident18 Ų1858.2 Ų58.212%0.11731%0.308CS..THydrogen-bonded Turntrans-65.8133.6173.531-36000109.5L458 Q461P153-L458 HydrophobicContact CB-CD1 3.73Å; P153-Q461 HydrophobicContact CB-CG 4.3Å; P153-Q461 HydrophobicContact CG-CG 4.18Å
154G77.6Confident79.3Confident1 Ų152.6 Ų52.61%0.0128%0.281CS..THydrogen-bonded Turntrans95.2-1.2177.900000114L152 E156L152-G154 PolarHBondContact O-N 2.86Å; G154-E156 VanDerWaalsContact C-N 3.33Å; G154-E156 WeakPolarHBondContact CA-OE1 3.44Å; G154-E156 WeakPolarHBondContact CA-OE2 3.39Å; G154-E156 PolarHBondContact N-OE1 3.22Å; G154-E156 PolarHBondContact N-OE2 3.19Å
155S80.8Confident79.7Confident24 Ų2451.4 Ų51.417%0.16828%0.275CS..G310 helixtrans-67.8-35.3175.752.90000111.7T150 L152 L157 T158T150-S155 VanDerWaalsContact CB-CB 3.41Å; T150-S155 WeakPolarHBondContact CB-OG 3.47Å; T150-S155 VanDerWaalsContact OG1-CB 3.23Å; T150-S155 WeakPolarHBondContact OG1-CB 3.38Å; T150-S155 PolarHBondContact OG1-OG 3.16Å; L152-S155 WeakPolarHBondContact O-CB 3.35Å; L152-S155 PolarHBondContact O-N 2.77Å; L152-S155 PolarHBondContact O-OG 2.9Å; S155-L157 PolarHBondContact O-N 3.35Å; S155-T158 PolarHBondContact O-N 2.87Å
156E84.9Confident80.4Confident87 Ų8745.4 Ų45.441%0.40725%0.247SC..G310 helixtrans-61.4-14.4178.772-61.814400114.6G154 T158 Y454G154-E156 VanDerWaalsContact C-N 3.33Å; G154-E156 WeakPolarHBondContact CA-OE1 3.44Å; G154-E156 WeakPolarHBondContact CA-OE2 3.39Å; G154-E156 PolarHBondContact N-OE1 3.22Å; G154-E156 PolarHBondContact N-OE2 3.19Å; E156-T158 VanDerWaalsContact C-N 3.34Å; E156-Y454 PolarHBondContact OE1-OH 3.09Å; E156-Y454 VanDerWaalsContact OE1-OH 3.07Å
157L87.1Confident81.1Confident9 Ų944.6 Ų44.65%0.04724%0.243CC..G310 helixtrans-85.5-2.4175.5-59.6175.1000113.5Y111 S155 L297 P299 R300 L455 L458Y111-L157 HydrophobicContact CD1-CB 3.79Å; Y111-L157 HydrophobicContact CD1-CD1 4.21Å; Y111-L157 HydrophobicContact CD2-CD1 3.7Å; Y111-L157 HydrophobicContact CE1-CB 3.47Å; Y111-L157 VanDerWaalsContact CE1-CB 3.47Å; Y111-L157 HydrophobicContact CE1-CD1 4.37Å; Y111-L157 WeakPolarHBondContact CE1-O 3.32Å; Y111-L157 HydrophobicContact CE2-CB 4.29Å; Y111-L157 HydrophobicContact CE2-CD1 3.88Å; Y111-L157 HydrophobicContact CG-CB 4.32Å; Y111-L157 HydrophobicContact CG-CD1 3.88Å; S155-L157 PolarHBondContact O-N 3.35Å; L157-L297 HydrophobicContact CD2-CB 4.33Å; L157-P299 WeakPolarHBondContact O-CA 3.46Å; L157-R300 PolarHBondContact O-N 3.35Å; L157-L455 HydrophobicContact CD1-CD2 3.64Å; L157-L458 HydrophobicContact CD1-CD2 3.65Å
158T89.4Confident82.3Confident13 Ų1342.4 Ų42.48%0.0823%0.228CC..BIsolated β-bridgetrans-138141.8-178.8-42.30000110.6Y111 S155 E156 E160 R163 R300Y111-T158 PolarHBondContact OH-OG1 3.25Å; Y111-T158 VanDerWaalsContact OH-OG1 3.07Å; S155-T158 PolarHBondContact O-N 2.87Å; E156-T158 VanDerWaalsContact C-N 3.34Å; T158-E160 WeakPolarHBondContact CG2-O 3.26Å; T158-R163 PolarHBondContact OG1-NH1 3.38Å; T158-R163 PolarHBondContact OG1-NH2 2.76Å; T158-R300 CarbonylContact C-O 3.58Å; T158-R300 VanDerWaalsContact CA-O 3.3Å; T158-R300 WeakPolarHBondContact CA-O 3.48Å
159K88.4Confident83.7Confident144 Ų14435.9 Ų35.963%0.62619%0.194SC*.SBendtrans-80.1-36.3-178.1-58.6179.2-177.6-178.90112.7P299 R300K159-P299 WeakPolarHBondContact CE-O 3.38Å; K159-P299 HydrophobicContact CG-CB 3.96Å; K159-P299 HydrophobicContact CG-CG 4.19Å; K159-R300 PolarHBondContact N-O 3.16Å
160E89.1Confident85.5Confident54 Ų5430.3 Ų30.325%0.25216%0.16SC..SBendtrans-106151.4-176-45.788.3146.300110.9T158 F162 S301 A302T158-E160 WeakPolarHBondContact CG2-O 3.26Å; E160-F162 VanDerWaalsContact C-N 3.3Å; E160-F162 HydrophobicContact CB-CD1 4.02Å; E160-F162 HydrophobicContact CB-CE1 3.65Å; E160-F162 HydrophobicContact CB-CE2 4.45Å; E160-F162 HydrophobicContact CB-CZ 3.87Å; E160-F162 HydrophobicContact CG-CE1 4.15Å; E160-F162 HydrophobicContact CG-CZ 4.02Å; E160-F162 PolarHBondContact O-N 3.33Å; E160-S301 WeakPolarHBondContact OE1-CA 3.33Å; E160-S301 VanDerWaalsContact OE2-CA 3.29Å; E160-S301 WeakPolarHBondContact OE2-CA 3.33Å; E160-A302 HydrophobicContact CB-CB 4.07Å; E160-A302 HydrophobicContact CG-CB 4.33Å; E160-A302 PolarHBondContact OE1-N 3.12Å; E160-A302 PolarHBondContact OE2-N 3.11Å
161P88.3Confident87.2Confident25 Ų2527.7 Ų27.716%0.16214%0.144CC..SBendtrans-74.6-17.3-178.428.5-33.9000113.8F96 N100 L146F96-P161 HydrophobicContact CD2-CB 4.21Å; F96-P161 HydrophobicContact CD2-CG 4.29Å; N100-P161 PolarHBondContact ND2-O 3.39Å; L146-P161 HydrophobicContact CD1-CG 3.64Å
162F90.8Very high88.5Confident11 Ų1122.4 Ų22.45%0.04811%0.11CC..SBendtrans-98.1174.5-177.861.1-94.9000112.9F96 E160 Q166 V202 T203 A302 H303F96-F162 HydrophobicContact CD1-CB 3.92Å; F96-F162 HydrophobicContact CE1-CB 3.53Å; F96-F162 HydrophobicContact CE2-CB 4.34Å; F96-F162 HydrophobicContact CZ-CB 3.77Å; E160-F162 VanDerWaalsContact C-N 3.3Å; E160-F162 HydrophobicContact CB-CD1 4.02Å; E160-F162 HydrophobicContact CB-CE1 3.65Å; E160-F162 HydrophobicContact CB-CE2 4.45Å; E160-F162 HydrophobicContact CB-CZ 3.87Å; E160-F162 HydrophobicContact CG-CE1 4.15Å; E160-F162 HydrophobicContact CG-CZ 4.02Å; E160-F162 PolarHBondContact O-N 3.33Å; F162-Q166 VanDerWaalsContact CA-OE1 3.23Å; F162-V202 HydrophobicContact CE1-CG1 3.79Å; F162-V202 HydrophobicContact CE2-CG1 4.45Å; F162-V202 HydrophobicContact CZ-CG1 3.48Å; F162-V202 VanDerWaalsContact CZ-CG1 3.48Å; F162-T203 HydrophobicContact CB-CG2 4.23Å; F162-T203 HydrophobicContact CD1-CG2 3.86Å; F162-T203 HydrophobicContact CD2-CG2 3.95Å; F162-T203 HydrophobicContact CE1-CG2 4.21Å; F162-T203 HydrophobicContact CE2-CG2 4.29Å; F162-T203 HydrophobicContact CG-CG2 3.75Å; F162-T203 HydrophobicContact CZ-CG2 4.43Å; F162-A302 HydrophobicContact CD2-CB 3.77Å; F162-A302 HydrophobicContact CE2-CB 3.57Å; F162-A302 HydrophobicContact CZ-CB 4.29Å; F162-A302 WeakPolarHBondContact O-CB 3.39Å; F162-H303 AromaticContact CE2-CE1 3.77Å; F162-H303 AromaticContact CE2-NE2 3.64Å
163R91.6Very high89.4Confident18 Ų1821 Ų217%0.06810%0.102CC..  trans-123.6158.7-179.7-56.3-73.8160.3-170.1-14.3111.5N100 D109 Y111 T158 D165 Q166N100-R163 WeakPolarHBondContact OD1-CG 3.46Å; N100-R163 PolarHBondContact OD1-NE 3.35Å; D109-R163 IonicContact OD2-NE 3.43Å; D109-R163 IonicContact OD2-NH1 2.86Å; Y111-R163 PolarHBondContact OH-NH1 3.01Å; T158-R163 PolarHBondContact OG1-NH1 3.38Å; T158-R163 PolarHBondContact OG1-NH2 2.76Å; R163-D165 PolarHBondContact O-N 2.97Å; R163-Q166 HydrophobicContact CB-CB 4.43Å; R163-Q166 HydrophobicContact CB-CG 3.94Å; R163-Q166 HydrophobicContact CG-CG 4.46Å; R163-Q166 VanDerWaalsContact CG-NE2 3.34Å; R163-Q166 WeakPolarHBondContact O-CB 3.37Å; R163-Q166 PolarHBondContact O-N 3.34Å
164W91Very high90Very high16 Ų1624 Ų246%0.06111%0.111CC..THydrogen-bonded Turntrans-60.7-13.3-179.867.6-10.4000116.4R115 N116 P117 V231 V232 I284 P304R115-W164 HydrophobicContact CB-CH2 3.54Å; R115-W164 HydrophobicContact CB-CZ2 4.33Å; R115-W164 HydrophobicContact CB-CZ3 3.66Å; N116-W164 WeakPolarHBondContact O-CZ2 2.94Å; P117-W164 HydrophobicContact CB-CH2 4.42Å; P117-W164 HydrophobicContact CG-CH2 4.26Å; W164-V231 HydrophobicContact CB-CG1 4.06Å; W164-V231 HydrophobicContact CD2-CG1 3.41Å; W164-V231 VanDerWaalsContact CD2-CG1 3.41Å; W164-V231 HydrophobicContact CD2-CG2 4.39Å; W164-V231 HydrophobicContact CE3-CG1 3.19Å; W164-V231 HydrophobicContact CG-CG1 3.84Å; W164-V231 HydrophobicContact CH2-CG1 4.23Å; W164-V231 HydrophobicContact CZ2-CG1 4.43Å; W164-V231 HydrophobicContact CZ2-CG2 4.32Å; W164-V231 HydrophobicContact CZ3-CG1 3.64Å; W164-V231 CarbonylContact O-C 3.55Å; W164-V232 PolarHBondContact O-N 3.33Å; W164-I284 HydrophobicContact CZ3-CD1 4.48Å; W164-P304 HydrophobicContact CE3-CG 4.08Å; W164-P304 HydrophobicContact CZ3-CG 4.35Å
165D91.3Very high90.5Very high1 Ų124.2 Ų24.21%0.00511%0.112CC..THydrogen-bonded Turntrans-114.811176.656.3-17.9000112.1R103 L120 E121 P122 A123 R163R103-D165 IonicContact CZ-OD1 2.8Å; R103-D165 VanDerWaalsContact CZ-OD1 3.31Å; R103-D165 IonicContact CZ-OD2 2.66Å; R103-D165 IonicContact NH1-OD1 3.74Å; R103-D165 PolarHBondContact NH1-OD1 2.79Å; R103-D165 IonicContact NH1-OD2 3.31Å; R103-D165 PolarHBondContact NH1-OD2 2.78Å; R103-D165 IonicContact NH2-OD1 3.71Å; R103-D165 PolarHBondContact NH2-OD1 3.34Å; R103-D165 IonicContact NH2-OD2 2.67Å; L120-D165 HydrophobicContact CD2-CB 3.72Å; E121-D165 PolarHBondContact N-OD2 3.28Å; P122-D165 CarbonylContact C-O 3.56Å; P122-D165 WeakPolarHBondContact CA-O 3.26Å; A123-D165 PolarHBondContact N-O 2.85Å; R163-D165 PolarHBondContact O-N 2.97Å
166Q93.4Very high90.8Very high2 Ų225 Ų251%0.00912%0.117CC..EExtended strand (participates in β ladder)trans-103.6123171.9-68.5168.72.900110.2L99 N100 A123 F162 R163L99-Q166 HydrophobicContact CD1-CG 4.43Å; N100-Q166 PolarHBondContact OD1-NE2 3.09Å; A123-Q166 HydrophobicContact CB-CG 4.11Å; A123-Q166 VanDerWaalsContact O-CA 3.31Å; A123-Q166 WeakPolarHBondContact O-CA 3.3Å; F162-Q166 VanDerWaalsContact CA-OE1 3.23Å; R163-Q166 HydrophobicContact CB-CB 4.43Å; R163-Q166 HydrophobicContact CB-CG 3.94Å; R163-Q166 HydrophobicContact CG-CG 4.46Å; R163-Q166 VanDerWaalsContact CG-NE2 3.34Å; R163-Q166 WeakPolarHBondContact O-CB 3.37Å; R163-Q166 PolarHBondContact O-N 3.34Å
167R93.1Very high90.8Very high6 Ų623.4 Ų23.42%0.02312%0.123CC..EExtended strand (participates in β ladder)trans-121.9137.8177.1-76.4172.3-71.5157.8-1111.7A123 I124 I125 F169 T203 G204 K226 Q228 V232A123-R167 PolarHBondContact O-N 2.98Å; I124-R167 WeakPolarHBondContact CA-O 3.45Å; I125-R167 PolarHBondContact N-O 2.95Å; R167-F169 HydrophobicContact CB-CE2 4.33Å; R167-T203 WeakPolarHBondContact CG-O 3.48Å; R167-G204 WeakPolarHBondContact CD-O 3.24Å; R167-K226 PolarHBondContact NH1-O 2.88Å; R167-Q228 PolarHBondContact NH2-O 2.88Å; R167-V232 HydrophobicContact CG-CG2 4.21Å
168L94.2Very high90.6Very high0 Ų028.5 Ų28.50%015%0.151CC..EExtended strand (participates in β ladder)trans-104.2117.6175.6179.965.6000111.3L92 I125 A127 I196 M199 C200 T203 G205 R206L92-L168 HydrophobicContact CD1-CD1 4Å; L92-L168 HydrophobicContact CD1-CD2 4.33Å; L92-L168 HydrophobicContact CD2-CD2 3.87Å; I125-L168 HydrophobicContact CB-CD1 3.73Å; I125-L168 HydrophobicContact CG2-CD1 3.48Å; I125-L168 VanDerWaalsContact CG2-CD1 3.48Å; A127-L168 HydrophobicContact CB-CD1 3.99Å; L168-I196 HydrophobicContact CD2-CG1 4.31Å; L168-M199 HydrophobicContact CD2-CB 4.12Å; L168-M199 HydrophobicContact CD2-CG 3.73Å; L168-C200 PolarHBondContact O-SG 3.08Å; L168-C200 VanDerWaalsContact O-SG 3.37Å; L168-T203 WeakPolarHBondContact CB-OG1 3.49Å; L168-T203 PolarHBondContact N-OG1 3.01Å; L168-G205 WeakPolarHBondContact O-CA 3.2Å; L168-R206 PolarHBondContact O-N 2.73Å
169F94.4Very high89.9Confident5 Ų531.1 Ų31.12%0.02217%0.174CC..EExtended strand (participates in β ladder)trans-105.1136.8164.7-62.8-76.4000110I124 I125 I126 A127 R167 R206 Y208 L223 K226I124-F169 HydrophobicContact CG2-CD2 3.54Å; I124-F169 HydrophobicContact CG2-CE2 3.78Å; I125-F169 PolarHBondContact O-N 2.64Å; I126-F169 WeakPolarHBondContact CA-O 3.07Å; A127-F169 PolarHBondContact N-O 3.2Å; R167-F169 HydrophobicContact CB-CE2 4.33Å; F169-R206 VanDerWaalsContact CA-O 3.31Å; F169-R206 WeakPolarHBondContact CA-O 3.36Å; F169-R206 HydrophobicContact CD1-CB 4.05Å; F169-R206 VanDerWaalsContact CD1-N 3.32Å; F169-R206 HydrophobicContact CE1-CB 4.18Å; F169-Y208 HydrophobicContact CB-CE2 4.34Å; F169-Y208 AromaticContact CD1-CE2 3.8Å; F169-Y208 HydrophobicContact CD1-CE2 3.8Å; F169-Y208 HydrophobicContact CG-CE2 4.41Å; F169-L223 HydrophobicContact CB-CD1 3.84Å; F169-L223 HydrophobicContact CB-CG 4.39Å; F169-L223 HydrophobicContact CD2-CD2 4.14Å; F169-L223 HydrophobicContact CD2-CG 4.26Å; F169-L223 HydrophobicContact CG-CD1 4.2Å; F169-L223 HydrophobicContact CG-CG 4.21Å; F169-K226 HydrophobicContact CE1-CD 4.16Å; F169-K226 HydrophobicContact CZ-CB 4.12Å; F169-K226 HydrophobicContact CZ-CD 4.33Å
170A94.2Very high88.8Confident1 Ų128 Ų281%0.00817%0.17CC..EExtended strand (participates in β ladder)trans-111.3127.9176.300000110.8A127 V172 I196 C200 R206 Y208A127-A170 CarbonylContact O-C 3.56Å; A127-A170 WeakPolarHBondContact O-CA 3.43Å; A170-V172 HydrophobicContact CB-CG2 4.34Å; A170-I196 HydrophobicContact CB-CD1 3.55Å; A170-I196 HydrophobicContact CB-CG1 4.01Å; A170-I196 HydrophobicContact CB-CG2 3.95Å; A170-C200 VanDerWaalsContact CB-SG 3.6Å; A170-R206 PolarHBondContact N-O 3.48Å; A170-R206 VanDerWaalsContact N-O 3.13Å; A170-Y208 WeakPolarHBondContact O-CD2 3.37Å; A170-Y208 PolarHBondContact O-N 2.89Å
171L94.4Very high87.4Confident2 Ų232.3 Ų32.31%0.0120%0.2CC..EExtended strand (participates in β ladder)trans-103.9102.6168.3-58.2-177.3000107.5I126 A127 I128 S129 Y208 C219 L220 L223I126-L171 HydrophobicContact CG2-CD1 4Å; I126-L171 HydrophobicContact CG2-CG 4.28Å; A127-L171 PolarHBondContact O-N 3.45Å; I128-L171 WeakPolarHBondContact CA-O 3.13Å; I128-L171 HydrophobicContact CD1-CD1 4.22Å; I128-L171 HydrophobicContact CG1-CB 4.29Å; I128-L171 HydrophobicContact CG1-CD1 4.18Å; I128-L171 HydrophobicContact CG2-CB 4.31Å; S129-L171 PolarHBondContact N-O 2.97Å; L171-Y208 HydrophobicContact CD2-CD2 4.01Å; L171-Y208 HydrophobicContact CD2-CG 4.49Å; L171-C219 WeakPolarHBondContact CD2-SG 3.45Å; L171-L220 HydrophobicContact CD1-CD2 3.72Å; L171-L223 HydrophobicContact CD2-CD1 4.17Å
172V93.4Very high86.2Confident3 Ų338.8 Ų38.82%0.01823%0.228CC..EExtended strand (participates in β ladder)trans-97.4109.6-177.3-178.50000109.1S129 D130 A170 R174 D192 I196 Y208 V210S129-V172 WeakPolarHBondContact O-CA 3.46Å; D130-V172 WeakPolarHBondContact O-CG1 3.49Å; A170-V172 HydrophobicContact CB-CG2 4.34Å; V172-R174 HydrophobicContact CG1-CG 4.02Å; V172-R174 PolarHBondContact O-N 3.42Å; V172-D192 HydrophobicContact CB-CB 4.33Å; V172-D192 WeakPolarHBondContact CG1-OD2 3.27Å; V172-D192 HydrophobicContact CG2-CB 4.2Å; V172-D192 WeakPolarHBondContact CG2-OD2 3.29Å; V172-I196 HydrophobicContact CG2-CG2 4.31Å; V172-Y208 PolarHBondContact N-O 3.15Å; V172-V210 WeakPolarHBondContact O-CB 3.3Å; V172-V210 PolarHBondContact O-N 2.85Å
173L92.3Very high84.6Confident1 Ų144 Ų441%0.00526%0.263CS..EExtended strand (participates in β ladder)trans-79.9107.2-176.6-59.1-178.4000110.1M14 Y24 I27 A28 I128 S129 I175 V210M14-L173 HydrophobicContact CE-CD1 4.32Å; Y24-L173 HydrophobicContact CD2-CB 3.8Å; Y24-L173 HydrophobicContact CD2-CD1 4.42Å; Y24-L173 HydrophobicContact CE2-CB 3.89Å; Y24-L173 WeakPolarHBondContact CE2-O 3.38Å; Y24-L173 HydrophobicContact CG-CB 4.27Å; Y24-L173 HydrophobicContact CG-CD1 4.3Å; Y24-L173 PolarHBondContact OH-O 2.99Å; I27-L173 HydrophobicContact CG2-CD1 4.39Å; I27-L173 HydrophobicContact CG2-CD2 4.42Å; A28-L173 HydrophobicContact CB-CD1 4.44Å; I128-L173 HydrophobicContact CG2-CD1 4.04Å; I128-L173 HydrophobicContact CG2-CG 4.18Å; S129-L173 PolarHBondContact O-N 2.85Å; L173-I175 HydrophobicContact CD2-CD1 4.48Å; L173-V210 HydrophobicContact CD2-CB 4.22Å; L173-V210 HydrophobicContact CD2-CG1 4.17Å
174R89.9Confident83.3Confident82 Ų8246.8 Ų46.831%0.30928%0.276SS..  trans-118.839.9174.4-58.3-169.4-178-175.41.8110.5V172 D192 D193 S194 V210 F211V172-R174 HydrophobicContact CG1-CG 4.02Å; V172-R174 PolarHBondContact O-N 3.42Å; R174-D192 IonicContact CZ-OD1 3.35Å; R174-D192 IonicContact CZ-OD2 3.69Å; R174-D192 IonicContact NE-OD1 3.97Å; R174-D192 PolarHBondContact NE-OD1 3.17Å; R174-D192 VanDerWaalsContact NE-OD1 3.08Å; R174-D192 IonicContact NE-OD2 2.63Å; R174-D192 IonicContact NH1-OD1 2.83Å; R174-D192 PolarHBondContact NH1-OD1 2.98Å; R174-D192 VanDerWaalsContact NH2-CG 3.31Å; R174-D192 IonicContact NH2-OD1 3.31Å; R174-D192 PolarHBondContact NH2-OD1 3.07Å; R174-D192 IonicContact NH2-OD2 2.7Å; R174-D192 PolarHBondContact NH2-OD2 3.36Å; R174-D193 PolarHBondContact NH2-O 3.13Å; R174-S194 PolarHBondContact NH2-OG 2.85Å; R174-V210 CarbonylContact C-O 3.51Å; R174-V210 PolarHBondContact N-O 3.35Å; R174-F211 HydrophobicContact CB-CD1 3.77Å; R174-F211 HydrophobicContact CB-CE1 3.65Å; R174-F211 HydrophobicContact CG-CE1 4.47Å; R174-F211 WeakPolarHBondContact O-CD1 3.5Å
175I89.2Confident81.8Confident4 Ų451.6 Ų51.62%0.02131%0.31CS..  trans-78.6118.7-175.1-56176.5000109.7T18 Y24 I27 L173 V210T18-I175 HydrophobicContact CG2-CB 3.8Å; T18-I175 HydrophobicContact CG2-CG2 3.61Å; Y24-I175 HydrophobicContact CE1-CB 4.4Å; Y24-I175 PolarHBondContact OH-N 3.31Å; Y24-I175 PolarHBondContact OH-O 2.83Å; I27-I175 HydrophobicContact CD1-CD1 3.98Å; I27-I175 HydrophobicContact CG2-CD1 4.09Å; L173-I175 HydrophobicContact CD2-CD1 4.48Å; I175-V210 HydrophobicContact CD1-CG1 4.44Å; I175-V210 HydrophobicContact CG1-CG1 4.44Å; I175-V210 VanDerWaalsContact CG1-O 3.3Å; I175-V210 WeakPolarHBondContact CG1-O 3.07Å; I175-V210 PolarHBondContact N-O 2.84Å
176P85.6Confident80.2Confident41 Ų4160.5 Ų60.527%0.26636%0.357SS..  trans-67150.2-172.826.3-33.7000113.5H19 N178 F211H19-P176 PolarHBondContact N-O 3.34Å; H19-P176 VanDerWaalsContact N-O 3.16Å; H19-P176 PolarHBondContact ND1-O 2.72Å; P176-N178 CarbonylContact C-O 3.49Å; P176-N178 WeakPolarHBondContact CB-O 3.34Å; P176-N178 WeakPolarHBondContact CG-O 2.99Å; P176-F211 VanDerWaalsContact CD-O 3.26Å; P176-F211 WeakPolarHBondContact CD-O 3.39Å
177G84.8Confident78.8Confident53 Ų5362.7 Ų62.755%0.54638%0.38SS..SBendtrans-74.3-24.6175.400000113.7H19H19-G177 VanDerWaalsContact CA-O 3.29Å; H19-G177 WeakPolarHBondContact CA-O 3.48Å; H19-G177 WeakPolarHBondContact CB-O 3.36Å; H19-G177 PolarHBondContact N-O 2.92Å
178N83.1Confident77.5Confident117 Ų11766 Ų6663%0.62642%0.415SS*.SBendtrans-93.1155.616456.7-21.8000110.4P176 S180P176-N178 CarbonylContact C-O 3.49Å; P176-N178 WeakPolarHBondContact CB-O 3.34Å; P176-N178 WeakPolarHBondContact CG-O 2.99Å; N178-S180 PolarHBondContact O-N 2.9Å
179A75.7Confident76.8Confident68 Ų6866.5 Ų66.556%0.56242%0.418SS*.PPolyproline II helixtrans-72124.8168.300000108.6H19H19-A179 HydrophobicContact CB-CB 4.49Å
180S65.8Low76.2Confident77 Ų7768.6 Ų68.654%0.53843%0.432SS..PPolyproline II helixtrans-69.7140.3171.8-170.60000110.1N178 E182N178-S180 PolarHBondContact O-N 2.9Å; S180-E182 PolarHBondContact OG-N 3.32Å
181V59.8Low75.7Confident146 Ų14672.3 Ų72.389%0.88546%0.456SS*.  trans-97-15.5175-176.80000110.9
182E62Low75Confident160 Ų16072.5 Ų72.575%0.74846%0.458SS*.SBendtrans-70.1139.5179.4-63.9-170.6143.600111.5S180 E184S180-E182 PolarHBondContact OG-N 3.32Å; E182-E184 PolarHBondContact O-N 2.9Å
183P58.3Low74.4Confident121 Ų12179.5 Ų79.579%0.78650%0.495SS*.PPolyproline II helixtrans-66.6125.7176.227.8-33.5000110.4
184E62.8Low74.1Confident76 Ų7680 Ų8036%0.35550%0.498SS..PPolyproline II helixtrans-54.9128.8174.7-64.6179.6103.400110.1E182 L186 S212 R214E182-E184 PolarHBondContact O-N 2.9Å; E184-L186 PolarHBondContact O-N 3.02Å; E184-S212 WeakPolarHBondContact OE1-CB 3.4Å; E184-S212 PolarHBondContact OE1-OG 3.17Å; E184-R214 WeakPolarHBondContact OE2-CD 3.43Å; E184-R214 IonicContact OE2-CZ 3.98Å; E184-R214 IonicContact OE2-NE 2.96Å; E184-R214 IonicContact OE2-NH1 3.89Å; E184-R214 PolarHBondContact OE2-NH1 2.81Å
185P60.9Low73.9Confident118 Ų11878.1 Ų78.177%0.76650%0.497SS*.PPolyproline II helixtrans-63.4124.2178.325.1-33.2000109.9G187P185-G187 PolarHBondContact O-N 3.07Å
186L56.4Low73.8Confident188 Ų18878.6 Ų78.698%0.98450%0.499SS*.SBendtrans-72.379.1174.9-74.694.3000110.3E184E184-L186 PolarHBondContact O-N 3.02Å
187G64.2Low74Confident48 Ų4877.4 Ų77.450%0.49549%0.491SS..SBendtrans-152.9177.4-179.200000112.4P185P185-G187 PolarHBondContact O-N 3.07Å
188G67.2Low74.2Confident75 Ų7578.7 Ų78.777%0.77349%0.49SS*.  trans-71.9140.8174.800000111.7
189V78.1Confident74.5Confident10 Ų1074.8 Ų74.86%0.06147%0.468CS..  trans-45.1125178.5-169.30000111R206 Y208 S209 M215 C219V189-R206 VanDerWaalsContact O-CZ 3.28Å; V189-R206 PolarHBondContact O-NH1 2.96Å; V189-R206 PolarHBondContact O-NH2 2.91Å; V189-Y208 HydrophobicContact CB-CD1 4.18Å; V189-Y208 HydrophobicContact CG1-CD1 4.13Å; V189-S209 WeakPolarHBondContact CG1-O 3.36Å; V189-M215 HydrophobicContact CB-CG 4.24Å; V189-M215 HydrophobicContact CB-SD 4.33Å; V189-M215 HydrophobicContact CG1-CE 4.09Å; V189-M215 HydrophobicContact CG1-CG 4Å; V189-M215 HydrophobicContact CG1-SD 3.99Å; V189-M215 HydrophobicContact CG2-CG 3.64Å; V189-M215 HydrophobicContact CG2-SD 4.33Å; V189-C219 HydrophobicContact CG2-CB 4.16Å
190P83.3Confident75.2Confident49 Ų4971.5 Ų71.532%0.31844%0.442SS..PPolyproline II helixtrans-67.9154.9-176.828-34.7000111.9S209 F211P190-S209 PolarHBondContact O-N 3.47Å; P190-F211 HydrophobicContact CG-CE2 4.23Å
191P81.9Confident76.3Confident79 Ų7973.7 Ų73.751%0.51344%0.443SS..PPolyproline II helixtrans-63.9157.5164.633-33.7000109.1R206P191-R206 VanDerWaalsContact N-NH2 3.14Å
192D80.6Confident77.6Confident7 Ų769.9 Ų69.94%0.03742%0.42CS..PPolyproline II helixtrans-101144.9177.1-16361.5000111.4V172 R174 S194 T197 S207 S209V172-D192 HydrophobicContact CB-CB 4.33Å; V172-D192 WeakPolarHBondContact CG1-OD2 3.27Å; V172-D192 HydrophobicContact CG2-CB 4.2Å; V172-D192 WeakPolarHBondContact CG2-OD2 3.29Å; R174-D192 IonicContact CZ-OD1 3.35Å; R174-D192 IonicContact CZ-OD2 3.69Å; R174-D192 IonicContact NE-OD1 3.97Å; R174-D192 PolarHBondContact NE-OD1 3.17Å; R174-D192 VanDerWaalsContact NE-OD1 3.08Å; R174-D192 IonicContact NE-OD2 2.63Å; R174-D192 IonicContact NH1-OD1 2.83Å; R174-D192 PolarHBondContact NH1-OD1 2.98Å; R174-D192 VanDerWaalsContact NH2-CG 3.31Å; R174-D192 IonicContact NH2-OD1 3.31Å; R174-D192 PolarHBondContact NH2-OD1 3.07Å; R174-D192 IonicContact NH2-OD2 2.7Å; R174-D192 PolarHBondContact NH2-OD2 3.36Å; D192-S194 WeakPolarHBondContact OD2-CB 3.23Å; D192-S194 PolarHBondContact OD2-OG 2.98Å; D192-T197 WeakPolarHBondContact O-CB 3.03Å; D192-T197 WeakPolarHBondContact O-CG2 3.49Å; D192-T197 PolarHBondContact O-OG1 2.86Å; D192-S207 PolarHBondContact N-OG 3.02Å; D192-S207 PolarHBondContact O-OG 2.9Å; D192-S209 WeakPolarHBondContact OD1-CB 3.43Å; D192-S209 PolarHBondContact OD1-OG 2.84Å
193D81.3Confident78.9Confident150 Ų15062.2 Ų62.280%0.80238%0.384SS*.  trans-101.182.8171.1-164.418.1000109R174R174-D193 PolarHBondContact NH2-O 3.13Å
194S84.8Confident80.2Confident10 Ų1057.3 Ų57.37%0.0736%0.356CS..SBendtrans-137.3158.3175.4-88.90000109G131 R174 D192 I196 T197G131-S194 PolarHBondContact O-OG 3.23Å; R174-S194 PolarHBondContact NH2-OG 2.85Å; D192-S194 WeakPolarHBondContact OD2-CB 3.23Å; D192-S194 PolarHBondContact OD2-OG 2.98Å; S194-I196 PolarHBondContact O-N 3.18Å; S194-T197 WeakPolarHBondContact O-CB 3.33Å; S194-T197 PolarHBondContact O-N 3.45Å; S194-T197 PolarHBondContact O-OG1 2.52Å
195P85.4Confident81.5Confident44 Ų4454.6 Ų54.629%0.28635%0.348SS..THydrogen-bonded Turntrans-58.8-12.3-177.4-2636.4000115.6L134 D142 L144L134-P195 HydrophobicContact CD1-CB 4.26Å; D142-P195 WeakPolarHBondContact O-CG 3.21Å; L144-P195 HydrophobicContact CB-CB 4.01Å; L144-P195 WeakPolarHBondContact CB-O 3.07Å
196I88.6Confident82.8Confident14 Ų1452.6 Ų52.67%0.07233%0.325CS..THydrogen-bonded Turntrans-78.6-25.2175.2-164.8167.3000113.9F88 A127 L168 A170 V172 S194 M199 C200F88-I196 HydrophobicContact CE1-CD1 3.71Å; F88-I196 HydrophobicContact CE1-CG1 4.1Å; F88-I196 HydrophobicContact CE2-CD1 3.65Å; F88-I196 HydrophobicContact CZ-CD1 3.18Å; F88-I196 HydrophobicContact CZ-CG1 4.07Å; A127-I196 HydrophobicContact CB-CD1 3.96Å; L168-I196 HydrophobicContact CD2-CG1 4.31Å; A170-I196 HydrophobicContact CB-CD1 3.55Å; A170-I196 HydrophobicContact CB-CG1 4.01Å; A170-I196 HydrophobicContact CB-CG2 3.95Å; V172-I196 HydrophobicContact CG2-CG2 4.31Å; S194-I196 PolarHBondContact O-N 3.18Å; I196-M199 WeakPolarHBondContact O-CB 3.3Å; I196-M199 PolarHBondContact O-N 3.44Å; I196-M199 VanDerWaalsContact O-N 3.1Å; I196-C200 PolarHBondContact O-N 3.17Å
197T89.6Confident84.5Confident15 Ų1543.7 Ų43.79%0.09228%0.279CS..Hα-helixtrans-61.5-45.7-171.7-66.40000113.4D192 S194 M199 C200 E201 S207D192-T197 WeakPolarHBondContact O-CB 3.03Å; D192-T197 WeakPolarHBondContact O-CG2 3.49Å; D192-T197 PolarHBondContact O-OG1 2.86Å; S194-T197 WeakPolarHBondContact O-CB 3.33Å; S194-T197 PolarHBondContact O-N 3.45Å; S194-T197 PolarHBondContact O-OG1 2.52Å; T197-M199 PolarHBondContact O-N 2.91Å; T197-C200 WeakPolarHBondContact O-CB 3.39Å; T197-C200 PolarHBondContact O-N 3.25Å; T197-C200 VanDerWaalsContact O-N 3.08Å; T197-E201 HydrophobicContact CG2-CG 4.47Å; T197-E201 PolarHBondContact O-N 2.56Å; T197-S207 WeakPolarHBondContact CG2-OG 3.37Å; T197-S207 VanDerWaalsContact OG1-CB 3.24Å; T197-S207 WeakPolarHBondContact OG1-CB 3.47Å; T197-S207 PolarHBondContact OG1-OG 3.02Å
198P89Confident85.8Confident81 Ų8141.5 Ų41.553%0.52626%0.255SS..Hα-helixtrans-57.8-35.9174.4-2635.9000113E201 V202P198-E201 PolarHBondContact O-N 3.27Å; P198-V202 VanDerWaalsContact O-CB 3.28Å; P198-V202 WeakPolarHBondContact O-CB 3.09Å; P198-V202 WeakPolarHBondContact O-CG2 3.37Å; P198-V202 PolarHBondContact O-N 3.18Å
199M88.4Confident87Confident34 Ų3438 Ų3817%0.16722%0.22CC..Hα-helixtrans-70.6-36.2177.1-166.863.460.900112.2L92 L144 L146 L168 I196 T197 T203L92-M199 HydrophobicContact CD2-CG 3.86Å; L144-M199 HydrophobicContact CD2-CB 4.47Å; L146-M199 HydrophobicContact CD1-CE 3.66Å; L146-M199 HydrophobicContact CD1-SD 4.07Å; L146-M199 HydrophobicContact CG-CE 3.98Å; L168-M199 HydrophobicContact CD2-CB 4.12Å; L168-M199 HydrophobicContact CD2-CG 3.73Å; I196-M199 WeakPolarHBondContact O-CB 3.3Å; I196-M199 PolarHBondContact O-N 3.44Å; I196-M199 VanDerWaalsContact O-N 3.1Å; T197-M199 PolarHBondContact O-N 2.91Å; M199-T203 WeakPolarHBondContact O-CG2 3.49Å; M199-T203 PolarHBondContact O-N 3.36Å; M199-T203 PolarHBondContact O-OG1 3.5Å
200C90.6Very high87.6Confident0 Ų037.6 Ų37.60%022%0.217CC..Hα-helixtrans-61.9-47.1170.6-72.60000111.7L168 A170 I196 T197 T203 G204 G205L168-C200 PolarHBondContact O-SG 3.08Å; L168-C200 VanDerWaalsContact O-SG 3.37Å; A170-C200 VanDerWaalsContact CB-SG 3.6Å; I196-C200 PolarHBondContact O-N 3.17Å; T197-C200 WeakPolarHBondContact O-CB 3.39Å; T197-C200 PolarHBondContact O-N 3.25Å; T197-C200 VanDerWaalsContact O-N 3.08Å; C200-T203 PolarHBondContact O-OG1 3.2Å; C200-G204 PolarHBondContact O-N 3.47Å; C200-G205 CarbonylContact O-C 3.57Å; C200-G205 WeakPolarHBondContact O-CA 3.47Å; C200-G205 PolarHBondContact O-N 2.57Å
201E88.3Confident87.9Confident123 Ų12340 Ų4058%0.57522%0.222SC*.Hα-helixtrans-69.2-44.3-178.3-66.9-173.216100112.4T197 P198 T203 G204T197-E201 HydrophobicContact CG2-CG 4.47Å; T197-E201 PolarHBondContact O-N 2.56Å; P198-E201 PolarHBondContact O-N 3.27Å; E201-T203 VanDerWaalsContact C-N 3.27Å; E201-T203 PolarHBondContact O-N 2.83Å; E201-G204 PolarHBondContact O-N 3.31Å
202V88.4Confident88.2Confident65 Ų6537.1 Ų37.139%0.39420%0.204SC..Hα-helixtrans-56.8-40.9177.3163.50000111.6F162 P198 G204 H264 H303F162-V202 HydrophobicContact CE1-CG1 3.79Å; F162-V202 HydrophobicContact CE2-CG1 4.45Å; F162-V202 HydrophobicContact CZ-CG1 3.48Å; F162-V202 VanDerWaalsContact CZ-CG1 3.48Å; P198-V202 VanDerWaalsContact O-CB 3.28Å; P198-V202 WeakPolarHBondContact O-CB 3.09Å; P198-V202 WeakPolarHBondContact O-CG2 3.37Å; P198-V202 PolarHBondContact O-N 3.18Å; V202-G204 VanDerWaalsContact C-N 3.29Å; V202-G204 PolarHBondContact O-N 2.85Å; V202-H264 PolarHBondContact O-ND1 3.43Å; V202-H303 PolarHBondContact O-CE1 3.15Å; V202-H303 PolarHBondContact O-ND1 3.1Å
203T89.9Confident88.5Confident0 Ų039.9 Ų39.90%022%0.217CC..THydrogen-bonded Turntrans-80.62.5177.359.10000114.5F96 F162 R167 L168 M199 C200 E201 G205F96-T203 HydrophobicContact CZ-CG2 4.46Å; F162-T203 HydrophobicContact CB-CG2 4.23Å; F162-T203 HydrophobicContact CD1-CG2 3.86Å; F162-T203 HydrophobicContact CD2-CG2 3.95Å; F162-T203 HydrophobicContact CE1-CG2 4.21Å; F162-T203 HydrophobicContact CE2-CG2 4.29Å; F162-T203 HydrophobicContact CG-CG2 3.75Å; F162-T203 HydrophobicContact CZ-CG2 4.43Å; R167-T203 WeakPolarHBondContact CG-O 3.48Å; L168-T203 WeakPolarHBondContact CB-OG1 3.49Å; L168-T203 PolarHBondContact N-OG1 3.01Å; M199-T203 WeakPolarHBondContact O-CG2 3.49Å; M199-T203 PolarHBondContact O-N 3.36Å; M199-T203 PolarHBondContact O-OG1 3.5Å; C200-T203 PolarHBondContact O-OG1 3.2Å; E201-T203 VanDerWaalsContact C-N 3.27Å; E201-T203 PolarHBondContact O-N 2.83Å; T203-G205 VanDerWaalsContact C-N 3.34Å
204G85.6Confident88.8Confident18 Ų1841 Ų4119%0.18621%0.21CC..THydrogen-bonded Turntrans71.626.6-178.300000114.2R167 C200 E201 V202R167-G204 WeakPolarHBondContact CD-O 3.24Å; C200-G204 PolarHBondContact O-N 3.47Å; E201-G204 PolarHBondContact O-N 3.31Å; V202-G204 VanDerWaalsContact C-N 3.29Å; V202-G204 PolarHBondContact O-N 2.85Å
205G88.9Confident89.1Confident18 Ų1841.6 Ų41.619%0.18621%0.212CC..  trans-103.8-148.2170.400000112.5L168 C200 T203L168-G205 WeakPolarHBondContact O-CA 3.2Å; C200-G205 CarbonylContact O-C 3.57Å; C200-G205 WeakPolarHBondContact O-CA 3.47Å; C200-G205 PolarHBondContact O-N 2.57Å; T203-G205 VanDerWaalsContact C-N 3.34Å
206R89Confident89.4Confident76 Ų7639.5 Ų39.529%0.28720%0.198SC..EExtended strand (participates in β ladder)trans-162.2141.2179.5177164-164.2-122.75.6111.6L168 F169 A170 V189 P191 Y208L168-R206 PolarHBondContact O-N 2.73Å; F169-R206 VanDerWaalsContact CA-O 3.31Å; F169-R206 WeakPolarHBondContact CA-O 3.36Å; F169-R206 HydrophobicContact CD1-CB 4.05Å; F169-R206 VanDerWaalsContact CD1-N 3.32Å; F169-R206 HydrophobicContact CE1-CB 4.18Å; A170-R206 PolarHBondContact N-O 3.48Å; A170-R206 VanDerWaalsContact N-O 3.13Å; V189-R206 VanDerWaalsContact O-CZ 3.28Å; V189-R206 PolarHBondContact O-NH1 2.96Å; V189-R206 PolarHBondContact O-NH2 2.91Å; P191-R206 VanDerWaalsContact N-NH2 3.14Å; R206-Y208 HydrophobicContact CB-CE2 4.23Å; R206-Y208 HydrophobicContact CG-CD1 4.43Å; R206-Y208 HydrophobicContact CG-CE1 4.17Å; R206-Y208 HydrophobicContact CG-CE2 4.28Å
207S91.7Very high89.6Confident2 Ų241.8 Ų41.81%0.01421%0.21CC..EExtended strand (participates in β ladder)trans-86.6147.2163.661.80000111.6D192 T197D192-S207 PolarHBondContact N-OG 3.02Å; D192-S207 PolarHBondContact O-OG 2.9Å; T197-S207 WeakPolarHBondContact CG2-OG 3.37Å; T197-S207 VanDerWaalsContact OG1-CB 3.24Å; T197-S207 WeakPolarHBondContact OG1-CB 3.47Å; T197-S207 PolarHBondContact OG1-OG 3.02Å
208Y92.2Very high89.6Confident1 Ų145.9 Ų45.90%0.00423%0.229CC..EExtended strand (participates in β ladder)trans-131.2121.1178.4-57.3-90.9000108.9F169 A170 L171 V172 V189 R206 C219 L223 K226F169-Y208 HydrophobicContact CB-CE2 4.34Å; F169-Y208 AromaticContact CD1-CE2 3.8Å; F169-Y208 HydrophobicContact CD1-CE2 3.8Å; F169-Y208 HydrophobicContact CG-CE2 4.41Å; A170-Y208 WeakPolarHBondContact O-CD2 3.37Å; A170-Y208 PolarHBondContact O-N 2.89Å; L171-Y208 HydrophobicContact CD2-CD2 4.01Å; L171-Y208 HydrophobicContact CD2-CG 4.49Å; V172-Y208 PolarHBondContact N-O 3.15Å; V189-Y208 HydrophobicContact CB-CD1 4.18Å; V189-Y208 HydrophobicContact CG1-CD1 4.13Å; R206-Y208 HydrophobicContact CB-CE2 4.23Å; R206-Y208 HydrophobicContact CG-CD1 4.43Å; R206-Y208 HydrophobicContact CG-CE1 4.17Å; R206-Y208 HydrophobicContact CG-CE2 4.28Å; Y208-C219 WeakPolarHBondContact CB-SG 3.49Å; Y208-C219 WeakPolarHBondContact CD1-SG 3.44Å; Y208-C219 VanDerWaalsContact CD2-SG 3.59Å; Y208-L223 HydrophobicContact CE2-CD1 4.35Å; Y208-K226 PolarHBondContact OH-NZ 2.81Å
209S91.4Very high89.8Confident3 Ų342 Ų422%0.02120%0.204CC..EExtended strand (participates in β ladder)trans-80.6131.9171.8-151.10000109.3V189 P190 D192 F211 M215V189-S209 WeakPolarHBondContact CG1-O 3.36Å; P190-S209 PolarHBondContact O-N 3.47Å; D192-S209 WeakPolarHBondContact OD1-CB 3.43Å; D192-S209 PolarHBondContact OD1-OG 2.84Å; S209-F211 VanDerWaalsContact OG-CZ 3.32Å; S209-F211 WeakPolarHBondContact OG-CZ 3.23Å; S209-M215 WeakPolarHBondContact O-CE 3.17Å
210V91Very high90Very high0 Ų040.5 Ų40.50%020%0.196CC..EExtended strand (participates in β ladder)trans-123.296.2-171.6-177.80000111V172 L173 R174 I175 L216V172-V210 WeakPolarHBondContact O-CB 3.3Å; V172-V210 PolarHBondContact O-N 2.85Å; L173-V210 HydrophobicContact CD2-CB 4.22Å; L173-V210 HydrophobicContact CD2-CG1 4.17Å; R174-V210 CarbonylContact C-O 3.51Å; R174-V210 PolarHBondContact N-O 3.35Å; I175-V210 HydrophobicContact CD1-CG1 4.44Å; I175-V210 HydrophobicContact CG1-CG1 4.44Å; I175-V210 VanDerWaalsContact CG1-O 3.3Å; I175-V210 WeakPolarHBondContact CG1-O 3.07Å; I175-V210 PolarHBondContact N-O 2.84Å; V210-L216 HydrophobicContact CG1-CB 3.61Å; V210-L216 HydrophobicContact CG1-CD1 4.14Å; V210-L216 HydrophobicContact CG1-CG 4.31Å
211F88.8Confident90.1Very high100 Ų10045 Ų4544%0.43922%0.217SC..  trans-88-16.4178.1-56.7-71.4000114.3R174 P176 P190 S209 M215R174-F211 HydrophobicContact CB-CD1 3.77Å; R174-F211 HydrophobicContact CB-CE1 3.65Å; R174-F211 HydrophobicContact CG-CE1 4.47Å; R174-F211 WeakPolarHBondContact O-CD1 3.5Å; P176-F211 VanDerWaalsContact CD-O 3.26Å; P176-F211 WeakPolarHBondContact CD-O 3.39Å; P190-F211 HydrophobicContact CG-CE2 4.23Å; S209-F211 VanDerWaalsContact OG-CZ 3.32Å; S209-F211 WeakPolarHBondContact OG-CZ 3.23Å; F211-M215 HydrophobicContact CB-CE 4.24Å; F211-M215 HydrophobicContact CD2-CE 3.63Å; F211-M215 HydrophobicContact CE2-CE 4.47Å; F211-M215 HydrophobicContact CG-CE 4.35Å
212S88.4Confident90.2Very high19 Ų1941 Ų4113%0.13320%0.203CC..SBendtrans-147.1160.9-177.190.80000113.6E184 R214 M215 L216E184-S212 WeakPolarHBondContact OE1-CB 3.4Å; E184-S212 PolarHBondContact OE1-OG 3.17Å; S212-R214 VanDerWaalsContact C-N 3.26Å; S212-R214 PolarHBondContact O-N 2.85Å; S212-R214 PolarHBondContact OG-N 2.86Å; S212-M215 PolarHBondContact O-N 3.12Å; S212-M215 PolarHBondContact OG-N 2.93Å; S212-L216 WeakPolarHBondContact O-CB 3.4Å; S212-L216 PolarHBondContact O-N 2.62Å
213Q87.4Confident90.4Very high64 Ų6437.9 Ų37.930%0.29918%0.184SC..Hα-helixtrans-65.9-26.3173.5-172.261.450.900113N217Q213-N217 PolarHBondContact NE2-OD1 2.61Å; Q213-N217 VanDerWaalsContact O-CG 3.25Å; Q213-N217 PolarHBondContact O-N 2.96Å; Q213-N217 PolarHBondContact O-ND2 3.47Å; Q213-N217 PolarHBondContact O-OD1 2.62Å
214R88.1Confident90.4Very high175 Ų17539.1 Ų39.166%0.6619%0.191SC*.Hα-helixtrans-72.7-48.4175.4-73.6169.4172.2173.7-0.2110.7E184 S212 L216 N217 Q218E184-R214 WeakPolarHBondContact OE2-CD 3.43Å; E184-R214 IonicContact OE2-CZ 3.98Å; E184-R214 IonicContact OE2-NE 2.96Å; E184-R214 IonicContact OE2-NH1 3.89Å; E184-R214 PolarHBondContact OE2-NH1 2.81Å; S212-R214 VanDerWaalsContact C-N 3.26Å; S212-R214 PolarHBondContact O-N 2.85Å; S212-R214 PolarHBondContact OG-N 2.86Å; R214-L216 VanDerWaalsContact C-N 3.28Å; R214-L216 PolarHBondContact O-N 2.85Å; R214-N217 PolarHBondContact O-N 3.02Å; R214-N217 VanDerWaalsContact O-N 3.13Å; R214-Q218 WeakPolarHBondContact O-CG 3.5Å; R214-Q218 PolarHBondContact O-N 3.48Å
215M90Very high90.5Very high21 Ų2145 Ų4510%0.10321%0.214CC..Hα-helixtrans-68.3-30178.5-159173.662.300111.6V189 S209 F211 S212 C219V189-M215 HydrophobicContact CB-CG 4.24Å; V189-M215 HydrophobicContact CB-SD 4.33Å; V189-M215 HydrophobicContact CG1-CE 4.09Å; V189-M215 HydrophobicContact CG1-CG 4Å; V189-M215 HydrophobicContact CG1-SD 3.99Å; V189-M215 HydrophobicContact CG2-CG 3.64Å; V189-M215 HydrophobicContact CG2-SD 4.33Å; S209-M215 WeakPolarHBondContact O-CE 3.17Å; F211-M215 HydrophobicContact CB-CE 4.24Å; F211-M215 HydrophobicContact CD2-CE 3.63Å; F211-M215 HydrophobicContact CE2-CE 4.47Å; F211-M215 HydrophobicContact CG-CE 4.35Å; S212-M215 PolarHBondContact O-N 3.12Å; S212-M215 PolarHBondContact OG-N 2.93Å; M215-C219 WeakPolarHBondContact O-CB 3.08Å; M215-C219 PolarHBondContact O-N 3.39Å
216L91.8Very high90.4Very high0 Ų047.1 Ų47.10%022%0.218CC..Hα-helixtrans-57.8-50.5166.7-178.951.2000111.6I27 A31 V210 S212 R214 Q218 C219 L220I27-L216 HydrophobicContact CG2-CD2 3.63Å; A31-L216 HydrophobicContact CB-CD1 4.17Å; A31-L216 HydrophobicContact CB-CD2 4.19Å; V210-L216 HydrophobicContact CG1-CB 3.61Å; V210-L216 HydrophobicContact CG1-CD1 4.14Å; V210-L216 HydrophobicContact CG1-CG 4.31Å; S212-L216 WeakPolarHBondContact O-CB 3.4Å; S212-L216 PolarHBondContact O-N 2.62Å; R214-L216 VanDerWaalsContact C-N 3.28Å; R214-L216 PolarHBondContact O-N 2.85Å; L216-Q218 PolarHBondContact O-N 2.97Å; L216-C219 WeakPolarHBondContact O-CB 3.21Å; L216-C219 PolarHBondContact O-N 3.3Å; L216-L220 HydrophobicContact CD1-CD1 4.47Å; L216-L220 HydrophobicContact CD1-CG 4.26Å; L216-L220 WeakPolarHBondContact O-CG 3.36Å; L216-L220 PolarHBondContact O-N 3.29Å
217N92.3Very high90.3Very high62 Ų6244.2 Ų44.233%0.33221%0.208SC..Hα-helixtrans-61.9-45.8179.5-68.1-13.8000111.9Q213 R214 C219 L220 E221Q213-N217 PolarHBondContact NE2-OD1 2.61Å; Q213-N217 VanDerWaalsContact O-CG 3.25Å; Q213-N217 PolarHBondContact O-N 2.96Å; Q213-N217 PolarHBondContact O-ND2 3.47Å; Q213-N217 PolarHBondContact O-OD1 2.62Å; R214-N217 PolarHBondContact O-N 3.02Å; R214-N217 VanDerWaalsContact O-N 3.13Å; N217-C219 VanDerWaalsContact C-N 3.28Å; N217-C219 PolarHBondContact O-N 3.19Å; N217-L220 PolarHBondContact O-N 3.2Å; N217-E221 PolarHBondContact O-N 3.21Å
218Q91.4Very high89.9Confident102 Ų10248 Ų4848%0.47723%0.226SC..Hα-helixtrans-57.9-40.6173.8-68.7172.3-10.600112R214 L216 E221 S222R214-Q218 WeakPolarHBondContact O-CG 3.5Å; R214-Q218 PolarHBondContact O-N 3.48Å; L216-Q218 PolarHBondContact O-N 2.97Å; Q218-E221 PolarHBondContact O-N 2.91Å; Q218-S222 WeakPolarHBondContact O-CB 3.16Å; Q218-S222 PolarHBondContact O-N 2.99Å
219C92.2Very high89.5Confident0 Ų049.8 Ų49.80%024%0.238CC..Hα-helixtrans-63-44.6176-172.80000111.8L171 V189 Y208 M215 L216 N217 S222 L223L171-C219 WeakPolarHBondContact CD2-SG 3.45Å; V189-C219 HydrophobicContact CG2-CB 4.16Å; Y208-C219 WeakPolarHBondContact CB-SG 3.49Å; Y208-C219 WeakPolarHBondContact CD1-SG 3.44Å; Y208-C219 VanDerWaalsContact CD2-SG 3.59Å; M215-C219 WeakPolarHBondContact O-CB 3.08Å; M215-C219 PolarHBondContact O-N 3.39Å; L216-C219 WeakPolarHBondContact O-CB 3.21Å; L216-C219 PolarHBondContact O-N 3.3Å; N217-C219 VanDerWaalsContact C-N 3.28Å; N217-C219 PolarHBondContact O-N 3.19Å; C219-S222 PolarHBondContact O-N 3.43Å; C219-L223 WeakPolarHBondContact O-CB 3.49Å; C219-L223 PolarHBondContact O-N 2.69Å
220L93.1Very high89.2Confident2 Ų249.6 Ų49.61%0.0124%0.237CC..Hα-helixtrans-64.3-40.7177.7-65.3179.8000111.8A31 T34 F35 L38 L171 L216 N217 L223 V224A31-L220 HydrophobicContact CB-CD1 4.15Å; A31-L220 WeakPolarHBondContact O-CD1 3.48Å; T34-L220 HydrophobicContact CG2-CD1 4.17Å; F35-L220 HydrophobicContact CB-CD1 4.38Å; F35-L220 HydrophobicContact CB-CD2 4.18Å; F35-L220 HydrophobicContact CD2-CD2 4.25Å; L38-L220 HydrophobicContact CD1-CB 3.94Å; L171-L220 HydrophobicContact CD1-CD2 3.72Å; L216-L220 HydrophobicContact CD1-CD1 4.47Å; L216-L220 HydrophobicContact CD1-CG 4.26Å; L216-L220 WeakPolarHBondContact O-CG 3.36Å; L216-L220 PolarHBondContact O-N 3.29Å; N217-L220 PolarHBondContact O-N 3.2Å; L220-L223 PolarHBondContact O-N 3.42Å; L220-V224 WeakPolarHBondContact O-CG2 3.34Å; L220-V224 PolarHBondContact O-N 3.44Å
221E91.9Very high89.2Confident94 Ų9449.7 Ų49.744%0.43924%0.237SC..Hα-helixtrans-63.7-43.4175.2-70.3-177.5160.400111.9L38 N217 Q218 L223 V224 Q225L38-E221 HydrophobicContact CD1-CG 3.75Å; L38-E221 HydrophobicContact CD2-CG 4.07Å; N217-E221 PolarHBondContact O-N 3.21Å; Q218-E221 PolarHBondContact O-N 2.91Å; E221-L223 VanDerWaalsContact C-N 3.35Å; E221-L223 PolarHBondContact O-N 3.44Å; E221-V224 PolarHBondContact O-N 3.03Å; E221-Q225 WeakPolarHBondContact O-CG 3.48Å; E221-Q225 PolarHBondContact O-N 2.76Å
222S90.9Very high89.4Confident39 Ų3945 Ų4527%0.27322%0.217SC..Hα-helixtrans-64.7-36173.5-1690000112.8Q218 C219 Q225 K226Q218-S222 WeakPolarHBondContact O-CB 3.16Å; Q218-S222 PolarHBondContact O-N 2.99Å; C219-S222 PolarHBondContact O-N 3.43Å; S222-Q225 PolarHBondContact O-N 2.8Å; S222-K226 WeakPolarHBondContact O-CG 3.36Å; S222-K226 PolarHBondContact O-N 2.82Å
223L91.9Very high89.5Confident0 Ų044.1 Ų44.10%021%0.211CC..Hα-helixtrans-67.3-43.6177.4-154.7160.3000110.5F35 I126 F169 L171 Y208 C219 L220 E221 Q225 K226 I227F35-L223 HydrophobicContact CE2-CD2 3.72Å; F35-L223 HydrophobicContact CZ-CD2 4.24Å; I126-L223 HydrophobicContact CD1-CD1 4.42Å; I126-L223 HydrophobicContact CD1-CD2 3.69Å; I126-L223 HydrophobicContact CG1-CD1 4.37Å; I126-L223 HydrophobicContact CG1-CD2 4.07Å; I126-L223 HydrophobicContact CG2-CD1 4.38Å; F169-L223 HydrophobicContact CB-CD1 3.84Å; F169-L223 HydrophobicContact CB-CG 4.39Å; F169-L223 HydrophobicContact CD2-CD2 4.14Å; F169-L223 HydrophobicContact CD2-CG 4.26Å; F169-L223 HydrophobicContact CG-CD1 4.2Å; F169-L223 HydrophobicContact CG-CG 4.21Å; L171-L223 HydrophobicContact CD2-CD1 4.17Å; Y208-L223 HydrophobicContact CE2-CD1 4.35Å; C219-L223 WeakPolarHBondContact O-CB 3.49Å; C219-L223 PolarHBondContact O-N 2.69Å; L220-L223 PolarHBondContact O-N 3.42Å; E221-L223 VanDerWaalsContact C-N 3.35Å; E221-L223 PolarHBondContact O-N 3.44Å; L223-Q225 VanDerWaalsContact C-N 3.3Å; L223-Q225 PolarHBondContact O-N 3.4Å; L223-K226 PolarHBondContact O-N 2.86Å; L223-I227 WeakPolarHBondContact O-CG1 3.2Å
224V90.7Very high89.8Confident26 Ų2642.2 Ų42.216%0.15820%0.202CC..Hα-helixtrans-56.6-41.6176.3170.40000112.1F35 L38 R39 L220 E221 K226 I227F35-V224 HydrophobicContact CD2-CG2 3.7Å; F35-V224 HydrophobicContact CE2-CG2 3.56Å; F35-V224 HydrophobicContact CZ-CG2 4.36Å; L38-V224 HydrophobicContact CB-CG2 4.19Å; R39-V224 HydrophobicContact CB-CG2 4.45Å; L220-V224 WeakPolarHBondContact O-CG2 3.34Å; L220-V224 PolarHBondContact O-N 3.44Å; E221-V224 PolarHBondContact O-N 3.03Å; V224-K226 PolarHBondContact O-N 3.13Å; V224-I227 HydrophobicContact CB-CD1 4.42Å; V224-I227 HydrophobicContact CG2-CD1 4.33Å; V224-I227 WeakPolarHBondContact O-CB 3.28Å; V224-I227 WeakPolarHBondContact O-CG1 3.4Å; V224-I227 PolarHBondContact O-N 3.43Å
225Q87.9Confident89.9Confident140 Ų14033.9 Ų33.965%0.65417%0.171SC*.Hα-helixtrans-64.4-21.7177.2-66.8174.66.900113.8E221 S222 L223 Q228E221-Q225 WeakPolarHBondContact O-CG 3.48Å; E221-Q225 PolarHBondContact O-N 2.76Å; S222-Q225 PolarHBondContact O-N 2.8Å; L223-Q225 VanDerWaalsContact C-N 3.3Å; L223-Q225 PolarHBondContact O-N 3.4Å; Q225-Q228 PolarHBondContact O-NE2 3.19Å
226K87.3Confident90Very high63 Ų6335.2 Ų35.227%0.27418%0.177SC..THydrogen-bonded Turntrans-89.4-4.1178.7-65172.6-171.1-179.90113.4R167 F169 Y208 S222 L223 V224 Q228R167-K226 PolarHBondContact NH1-O 2.88Å; F169-K226 HydrophobicContact CE1-CD 4.16Å; F169-K226 HydrophobicContact CZ-CB 4.12Å; F169-K226 HydrophobicContact CZ-CD 4.33Å; Y208-K226 PolarHBondContact OH-NZ 2.81Å; S222-K226 WeakPolarHBondContact O-CG 3.36Å; S222-K226 PolarHBondContact O-N 2.82Å; L223-K226 PolarHBondContact O-N 2.86Å; V224-K226 PolarHBondContact O-N 3.13Å; K226-Q228 PolarHBondContact O-N 2.86Å
227I85.5Confident89.9Confident16 Ų1636.6 Ų36.68%0.08218%0.183CC..  trans-77.867.3176-49.3169.5000110.2L4 F35 I124 L223 V224L4-I227 HydrophobicContact CD2-CD1 4.11Å; L4-I227 HydrophobicContact CD2-CG2 4.44Å; F35-I227 HydrophobicContact CE1-CD1 4.44Å; F35-I227 HydrophobicContact CE2-CD1 3.85Å; F35-I227 HydrophobicContact CZ-CD1 3.42Å; F35-I227 VanDerWaalsContact CZ-CD1 3.42Å; I124-I227 HydrophobicContact CD1-CB 4.07Å; I124-I227 HydrophobicContact CD1-CG1 3.98Å; I124-I227 HydrophobicContact CD1-CG2 3.87Å; L223-I227 WeakPolarHBondContact O-CG1 3.2Å; V224-I227 HydrophobicContact CB-CD1 4.42Å; V224-I227 HydrophobicContact CG2-CD1 4.33Å; V224-I227 WeakPolarHBondContact O-CB 3.28Å; V224-I227 WeakPolarHBondContact O-CG1 3.4Å; V224-I227 PolarHBondContact O-N 3.43Å
228Q83Confident89.5Confident81 Ų8134.6 Ų34.638%0.37917%0.173SC..  trans-114.2147.6178.8-55.2-171.633.200110R167 Q225 K226 Y268R167-Q228 PolarHBondContact NH2-O 2.88Å; Q225-Q228 PolarHBondContact O-NE2 3.19Å; K226-Q228 PolarHBondContact O-N 2.86Å; Q228-Y268 HydrophobicContact CB-CD1 4Å; Q228-Y268 HydrophobicContact CB-CE1 4Å; Q228-Y268 HydrophobicContact CG-CE1 4.41Å
229S84.3Confident88.9Confident38 Ų3832.5 Ų32.527%0.26618%0.179SC..  trans-76.7125.2176.152.40000110.7V269S229-V269 PolarHBondContact O-N 2.96Å; S229-V269 PolarHBondContact OG-O 3.45Å
230G86.1Confident88Confident0 Ų037.7 Ų37.70%021%0.213CC..EExtended strand (participates in β ladder)trans-178.6176.1-176.800000112.9I267G230-I267 CarbonylContact C-O 3.59Å; G230-I267 WeakPolarHBondContact CA-O 3.36Å
231V90.3Very high87.1Confident1 Ų142.4 Ų42.41%0.00624%0.238CC..EExtended strand (participates in β ladder)trans-124.4132-174.4171.60000109.5P117 L120 W164 I233 L266 I267 V269P117-V231 HydrophobicContact CB-CG2 4.32Å; L120-V231 HydrophobicContact CD2-CG2 3.83Å; W164-V231 HydrophobicContact CB-CG1 4.06Å; W164-V231 HydrophobicContact CD2-CG1 3.41Å; W164-V231 VanDerWaalsContact CD2-CG1 3.41Å; W164-V231 HydrophobicContact CD2-CG2 4.39Å; W164-V231 HydrophobicContact CE3-CG1 3.19Å; W164-V231 HydrophobicContact CG-CG1 3.84Å; W164-V231 HydrophobicContact CH2-CG1 4.23Å; W164-V231 HydrophobicContact CZ2-CG1 4.43Å; W164-V231 HydrophobicContact CZ2-CG2 4.32Å; W164-V231 HydrophobicContact CZ3-CG1 3.64Å; W164-V231 CarbonylContact O-C 3.55Å; V231-I233 HydrophobicContact CG1-CG1 4.05Å; V231-L266 CarbonylContact O-C 3.51Å; V231-I267 PolarHBondContact N-O 3.18Å; V231-I267 PolarHBondContact O-N 3.44Å; V231-V269 HydrophobicContact CG2-CG2 4.33Å
232V92.4Very high86Confident1 Ų138.4 Ų38.41%0.00622%0.22CC..EExtended strand (participates in β ladder)trans-81126172.9-1750000109.8W164 R167 H264 K265 L266 H303W164-V232 PolarHBondContact O-N 3.33Å; R167-V232 HydrophobicContact CG-CG2 4.21Å; V232-H264 HydrophobicContact CG1-CB 4.46Å; V232-K265 WeakPolarHBondContact CA-O 3.37Å; V232-L266 HydrophobicContact CG2-CD1 4.07Å; V232-H303 VanDerWaalsContact CG1-CE1 3.44Å; V232-H303 WeakPolarHBondContact CG1-CE1 3.28Å
233I92.2Very high84.9Confident2 Ų240.6 Ų40.61%0.0123%0.234CC..EExtended strand (participates in β ladder)trans-122.2142.2174.9-62.5-154000108.8V231 F235 H264 K265 I267 I284 P304 V306V231-I233 HydrophobicContact CG1-CG1 4.05Å; I233-F235 HydrophobicContact CB-CE2 4.06Å; I233-F235 HydrophobicContact CB-CZ 4.49Å; I233-F235 HydrophobicContact CG2-CD2 4.13Å; I233-F235 HydrophobicContact CG2-CE1 4.42Å; I233-F235 HydrophobicContact CG2-CE2 3.89Å; I233-F235 HydrophobicContact CG2-CZ 4.06Å; I233-H264 WeakPolarHBondContact O-CA 3.1Å; I233-K265 PolarHBondContact N-O 3.48Å; I233-K265 PolarHBondContact O-N 3.01Å; I233-I267 HydrophobicContact CB-CD1 4.01Å; I233-I267 HydrophobicContact CD1-CD1 3.54Å; I233-I267 HydrophobicContact CG1-CD1 3.74Å; I233-I267 HydrophobicContact CG1-CG1 4.34Å; I233-I284 HydrophobicContact CD1-CD1 3.36Å; I233-P304 HydrophobicContact CB-CG 4.36Å; I233-P304 HydrophobicContact CD1-CG 3.89Å; I233-P304 HydrophobicContact CG1-CG 3.82Å; I233-P304 HydrophobicContact CG2-CG 4.26Å; I233-V306 HydrophobicContact CD1-CG2 4.41Å; I233-V306 HydrophobicContact CG2-CB 3.8Å; I233-V306 HydrophobicContact CG2-CG2 3.54Å
234N92.3Very high83.5Confident23 Ų2345.9 Ų45.912%0.12327%0.268CS..EExtended strand (participates in β ladder)trans-92.8117.8167.9-177.810.1000108.8H264 P304 V306N234-H264 PolarHBondContact ND2-NE2 2.94Å; N234-H264 PolarHBondContact OD1-CD2 2.86Å; N234-P304 PolarHBondContact N-O 3.45Å; N234-P304 VanDerWaalsContact N-O 3.13Å; N234-V306 PolarHBondContact O-N 2.88Å
235F90.8Very high82.3Confident0 Ų048.2 Ų48.20%028%0.279CS..EExtended strand (participates in β ladder)trans-95.7125.5172.3-69.5-86.2000110.5I233 C262 C263 I267 V306 F308 L328 L333 L367I233-F235 HydrophobicContact CB-CE2 4.06Å; I233-F235 HydrophobicContact CB-CZ 4.49Å; I233-F235 HydrophobicContact CG2-CD2 4.13Å; I233-F235 HydrophobicContact CG2-CE1 4.42Å; I233-F235 HydrophobicContact CG2-CE2 3.89Å; I233-F235 HydrophobicContact CG2-CZ 4.06Å; F235-C262 CarbonylContact O-C 3.45Å; F235-C262 VanDerWaalsContact O-CA 3.28Å; F235-C262 WeakPolarHBondContact O-CA 3.38Å; F235-C263 PolarHBondContact N-O 2.92Å; F235-C263 PolarHBondContact O-N 2.93Å; F235-I267 HydrophobicContact CE2-CD1 4.01Å; F235-I267 HydrophobicContact CE2-CG1 4.38Å; F235-I267 HydrophobicContact CZ-CD1 3.74Å; F235-V306 VanDerWaalsContact CA-O 3.31Å; F235-V306 WeakPolarHBondContact CA-O 3.46Å; F235-V306 HydrophobicContact CD1-CB 4.3Å; F235-V306 HydrophobicContact CD1-CG1 4.06Å; F235-V306 HydrophobicContact CE1-CB 4.42Å; F235-V306 HydrophobicContact CE1-CG1 3.99Å; F235-F308 HydrophobicContact CB-CD1 4.14Å; F235-F308 HydrophobicContact CB-CE1 4.21Å; F235-L328 HydrophobicContact CE2-CD1 3.82Å; F235-L328 HydrophobicContact CE2-CD2 4.47Å; F235-L328 HydrophobicContact CE2-CG 4.21Å; F235-L328 HydrophobicContact CZ-CD1 3.87Å; F235-L333 HydrophobicContact CB-CD2 3.93Å; F235-L333 HydrophobicContact CG-CD2 4.16Å; F235-L367 HydrophobicContact CD1-CD1 4.2Å; F235-L367 HydrophobicContact CE1-CD1 4.14Å; F235-L367 HydrophobicContact CE1-CD2 3.96Å; F235-L367 HydrophobicContact CE1-CG 4.38Å; F235-L367 HydrophobicContact CZ-CD2 4.23Å
236E90.9Very high80.7Confident50 Ų5051.2 Ų51.223%0.23429%0.293CS..EExtended strand (participates in β ladder)trans-122.5129.4179.3-174.8-171-178.300110.1H261 V306 R307 F308E236-H261 CarbonylContact C-O 3.6Å; E236-H261 WeakPolarHBondContact CA-O 3.37Å; E236-V306 PolarHBondContact N-O 3.35Å; E236-R307 HydrophobicContact CB-CG 4.05Å; E236-R307 VanDerWaalsContact CD-NH2 3.25Å; E236-R307 HydrophobicContact CG-CG 4.45Å; E236-R307 CarbonylContact O-C 3.6Å; E236-R307 WeakPolarHBondContact O-CA 3.29Å; E236-R307 IonicContact OE1-CZ 3.97Å; E236-R307 IonicContact OE1-NE 3.01Å; E236-R307 IonicContact OE1-NH2 3.83Å; E236-R307 PolarHBondContact OE1-NH2 3.14Å; E236-R307 IonicContact OE2-CZ 3.22Å; E236-R307 VanDerWaalsContact OE2-CZ 3.3Å; E236-R307 IonicContact OE2-NE 2.86Å; E236-R307 PolarHBondContact OE2-NE 2.84Å; E236-R307 IonicContact OE2-NH2 3.13Å; E236-R307 PolarHBondContact OE2-NH2 2.95Å; E236-F308 VanDerWaalsContact O-CD1 3.32Å; E236-F308 WeakPolarHBondContact O-CD1 3.4Å; E236-F308 PolarHBondContact O-N 3.18Å
237K89.6Confident79Confident28 Ų2855.9 Ų55.912%0.12232%0.321CS..EExtended strand (participates in β ladder)trans-70.8139.9179.4-176.4-175.7-176.8-1730111.7D241 W260 H261 F308K237-D241 IonicContact NZ-OD1 2.95Å; K237-D241 PolarHBondContact NZ-OD1 2.94Å; K237-D241 IonicContact NZ-OD2 2.9Å; K237-D241 PolarHBondContact NZ-OD2 3.42Å; K237-W260 HydrophobicContact CD-CH2 3.89Å; K237-W260 HydrophobicContact CD-CZ3 3.83Å; K237-W260 VanDerWaalsContact CE-CH2 3.44Å; K237-W260 HydrophobicContact CG-CZ3 4.44Å; K237-W260 VanDerWaalsContact NZ-CH2 3.35Å; K237-H261 HydrophobicContact CB-CB 4.25Å; K237-H261 WeakPolarHBondContact CB-O 3.48Å; K237-H261 HydrophobicContact CD-CB 4.34Å; K237-H261 VanDerWaalsContact CD-CD2 3.44Å; K237-H261 WeakPolarHBondContact CD-CD2 3.39Å; K237-H261 PolarHBondContact N-O 2.79Å; K237-H261 PolarHBondContact NZ-CE1 3.5Å; K237-H261 PolarHBondContact NZ-NE2 3.26Å; K237-F308 HydrophobicContact CB-CE1 4.01Å; K237-F308 HydrophobicContact CB-CE2 4.3Å; K237-F308 HydrophobicContact CB-CZ 3.76Å; K237-F308 HydrophobicContact CG-CE2 4.31Å; K237-F308 HydrophobicContact CG-CZ 4.22Å
238T84.6Confident77.2Confident20 Ų2057.5 Ų57.512%0.12334%0.337CS..EExtended strand (participates in β ladder)trans-133.8157.9170.2630000112.9R307 F308 L360T238-R307 HydrophobicContact CG2-CB 3.68Å; T238-R307 HydrophobicContact CG2-CG 3.59Å; T238-F308 PolarHBondContact N-O 3.32Å; T238-F308 PolarHBondContact OG1-O 2.97Å; T238-L360 HydrophobicContact CG2-CD1 4.12Å
239G79.1Confident75.4Confident58 Ų5858.7 Ų58.760%0.59835%0.352SS*.SBendtrans76.8-171.9-174.300000112.8
240P74.2Confident73.6Confident109 Ų10961.6 Ų61.671%0.70838%0.378SS*.SBendtrans-68.3159.5177.230.3-35.4000111.9
241D72.3Confident71.6Confident101 Ų10170 Ų7054%0.5442%0.417SS..PPolyproline II helixtrans-55.5140165.6-81.254.7000111.1K237 H261K237-D241 IonicContact NZ-OD1 2.95Å; K237-D241 PolarHBondContact NZ-OD1 2.94Å; K237-D241 IonicContact NZ-OD2 2.9Å; K237-D241 PolarHBondContact NZ-OD2 3.42Å; D241-H261 IonicContact OD2-NE2 3.79Å
242P70.1Confident69.5Low11 Ų1173.7 Ų73.77%0.07145%0.448CS..PPolyproline II helixtrans-65.3153.917328.9-31000109.4W260 C310 Y336 W347P242-W260 HydrophobicContact CG-CH2 4.27Å; P242-C310 HydrophobicContact CB-CB 3.92Å; P242-C310 HydrophobicContact CG-CB 3.95Å; P242-Y336 HydrophobicContact CG-CE1 4.04Å; P242-Y336 WeakPolarHBondContact CG-OH 3.41Å; P242-W347 HydrophobicContact CG-CZ2 4.48Å
243P67.1Low67.3Low85 Ų8581.3 Ų81.355%0.55249%0.488SS*.PPolyproline II helixtrans-56.1140.6175.423.1-32.7000110.5R340P243-R340 PolarHBondContact O-NH1 3.02Å; P243-R340 PolarHBondContact O-NH2 3.4Å
244P63.6Low65.2Low110 Ų11088.8 Ų88.871%0.71452%0.52SS*.PPolyproline II helixtrans-62.2156178.527.7-35000110.8
245L64.3Low62.9Low75 Ų7593.7 Ų93.739%0.39356%0.556SS.*PPolyproline II helixtrans-68.8137.6171.7-105.366.2000110D247 A248 R340L245-D247 PolarHBondContact O-N 3.37Å; L245-D247 VanDerWaalsContact O-N 3.1Å; L245-A248 HydrophobicContact CB-CB 4.35Å; L245-A248 WeakPolarHBondContact O-CB 3.28Å; L245-A248 PolarHBondContact O-N 3.25Å; L245-A248 VanDerWaalsContact O-N 3.11Å; L245-R340 HydrophobicContact CD1-CB 4.33Å; L245-R340 HydrophobicContact CD1-CG 3.79Å
246E54.1Low61.3Low203 Ų20395.9 Ų95.995%0.94958%0.579SS**THydrogen-bonded Turntrans-66.9-11.3-175.9-62-174125.300114
247D51.8Low59.9Low161 Ų161100.6 Ų100.686%0.86161%0.605SS**THydrogen-bonded Turntrans-107.47.1176-73.5-53.2000114.3L245L245-D247 PolarHBondContact O-N 3.37Å; L245-D247 VanDerWaalsContact O-N 3.1Å
248A48.6Very low59.2Low51 Ų51102.2 Ų102.242%0.42161%0.613SS.*  trans-79.4126.8-175.900000112.5L245L245-A248 HydrophobicContact CB-CB 4.35Å; L245-A248 WeakPolarHBondContact O-CB 3.28Å; L245-A248 PolarHBondContact O-N 3.25Å; L245-A248 VanDerWaalsContact O-N 3.11Å
249P45.5Very low58.7Low106 Ų106105.5 Ų105.569%0.68864%0.635SS**  trans-64.6147.217526.8-33.8000111.6E251 A252P249-E251 PolarHBondContact O-N 2.81Å; P249-A252 PolarHBondContact O-N 2.96Å
250A44.8Very low58.8Low99 Ų99103.9 Ų103.982%0.81861%0.611SS**G310 helixtrans-66.21.2-162.500000117A252A250-A252 VanDerWaalsContact C-N 3.26Å; A250-A252 PolarHBondContact O-N 3.34Å
251E44.4Very low59Low176 Ų17699.6 Ų99.682%0.82258%0.581SS**G310 helixtrans-76.5-9.7176.6-59.2-165.4145.300113.9P249 L253P249-E251 PolarHBondContact O-N 2.81Å; E251-L253 PolarHBondContact O-N 2.96Å
252A45.9Very low59.3Low79 Ų7997.8 Ų97.865%0.65358%0.576SS**G310 helixtrans-67.1-12-178.200000114.6P249 A250 K254P249-A252 PolarHBondContact O-N 2.96Å; A250-A252 VanDerWaalsContact C-N 3.26Å; A250-A252 PolarHBondContact O-N 3.34Å; A252-K254 PolarHBondContact O-N 3.02Å
253L46.3Very low59.7Low161 Ų16197.8 Ų97.884%0.84358%0.576SS**  trans-79.653.3-175.1-160.872.8000113.7E251 S255E251-L253 PolarHBondContact O-N 2.96Å; L253-S255 PolarHBondContact O-N 3.08Å
254K48Very low60.3Low159 Ų15997 Ų9769%0.69157%0.565SS**  trans-91.790.9168.7-72.5-177.7-178174.20110A252 G256 Q258A252-K254 PolarHBondContact O-N 3.02Å; K254-G256 PolarHBondContact O-N 3.1Å; K254-Q258 PolarHBondContact O-NE2 3.24Å
255S45.5Very low61.3Low125 Ų12594.4 Ų94.487%0.87454%0.542SS*.  trans-6696.5173.956.50000110.9L253L253-S255 PolarHBondContact O-N 3.08Å
256G56.1Low62.3Low47 Ų4791 Ų9149%0.48552%0.524SS..SBendtrans-175.6-176.8-178.500000111.9K254 Q258 H261K254-G256 PolarHBondContact O-N 3.1Å; G256-Q258 PolarHBondContact O-N 2.89Å; G256-Q258 VanDerWaalsContact O-N 3.14Å; G256-H261 PolarHBondContact O-CE1 2.9Å
257L62.3Low64Low149 Ų14981.5 Ų81.578%0.7848%0.48SS*.  trans-71.8105.4173.9-120.775.3000109.7
258Q73.8Confident65.7Low61 Ų6175.3 Ų75.329%0.28545%0.445SS..  trans-78.3150.6174.8-63.4-66.9-19.400110.6K254 G256 W260 H261K254-Q258 PolarHBondContact O-NE2 3.24Å; G256-Q258 PolarHBondContact O-N 2.89Å; G256-Q258 VanDerWaalsContact O-N 3.14Å; Q258-W260 HydrophobicContact CB-CG 4.31Å; Q258-W260 PolarHBondContact O-N 2.78Å; Q258-H261 PolarHBondContact N-ND1 3.28Å; Q258-H261 WeakPolarHBondContact O-CB 3.35Å; Q258-H261 PolarHBondContact O-N 3.45Å
259P75.5Confident67.3Low90 Ų9073 Ų7358%0.58443%0.426SS*.THydrogen-bonded Turntrans-60.3-7.5178.3-25.835.6000116P332P259-P332 HydrophobicContact CB-CB 4.3Å; P259-P332 HydrophobicContact CB-CG 4.21Å
260W79.8Confident69Low23 Ų2376.1 Ų76.19%0.08742%0.423CS..THydrogen-bonded Turntrans-99.4-10.7173.169.8-95.4000114.1K237 P242 Q258 F308 P332 L333 Y336K237-W260 HydrophobicContact CD-CH2 3.89Å; K237-W260 HydrophobicContact CD-CZ3 3.83Å; K237-W260 VanDerWaalsContact CE-CH2 3.44Å; K237-W260 HydrophobicContact CG-CZ3 4.44Å; K237-W260 VanDerWaalsContact NZ-CH2 3.35Å; P242-W260 HydrophobicContact CG-CH2 4.27Å; Q258-W260 HydrophobicContact CB-CG 4.31Å; Q258-W260 PolarHBondContact O-N 2.78Å; W260-F308 HydrophobicContact CE3-CE2 4.34Å; W260-F308 HydrophobicContact CE3-CZ 4.08Å; W260-F308 AromaticContact CZ3-CE2 3.99Å; W260-F308 HydrophobicContact CZ3-CE2 3.99Å; W260-F308 HydrophobicContact CZ3-CZ 4.1Å; W260-P332 HydrophobicContact CB-CB 3.99Å; W260-L333 HydrophobicContact CB-CB 4.32Å; W260-L333 HydrophobicContact CE3-CD1 4.03Å; W260-Y336 AromaticContact CD2-CD1 3.87Å; W260-Y336 HydrophobicContact CD2-CD1 3.87Å; W260-Y336 HydrophobicContact CD2-CE1 4.28Å; W260-Y336 HydrophobicContact CD2-CG 4.25Å; W260-Y336 AromaticContact CE2-CD1 3.86Å; W260-Y336 AromaticContact CE2-CE1 3.86Å; W260-Y336 AromaticContact CE3-CD1 3.94Å; W260-Y336 HydrophobicContact CE3-CD1 3.94Å; W260-Y336 HydrophobicContact CE3-CE1 4.32Å; W260-Y336 HydrophobicContact CG-CG 4.45Å; W260-Y336 HydrophobicContact CH2-CD1 4Å; W260-Y336 AromaticContact CH2-CE1 3.52Å; W260-Y336 HydrophobicContact CH2-CE1 3.52Å; W260-Y336 AromaticContact CZ2-CD1 3.95Å; W260-Y336 HydrophobicContact CZ2-CD1 3.95Å; W260-Y336 AromaticContact CZ2-CE1 3.48Å; W260-Y336 HydrophobicContact CZ2-CE1 3.48Å; W260-Y336 VanDerWaalsContact CZ2-CE1 3.48Å; W260-Y336 AromaticContact CZ2-CZ 3.82Å; W260-Y336 HydrophobicContact CZ3-CD1 4.01Å; W260-Y336 AromaticContact CZ3-CE1 3.96Å; W260-Y336 HydrophobicContact CZ3-CE1 3.96Å
261H79.6Confident70.4Confident20 Ų2074.5 Ų74.59%0.09340%0.404CS..THydrogen-bonded Turntrans-71.2-32.6179-68.1-175.8000112.4E236 K237 D241 G256 Q258E236-H261 CarbonylContact C-O 3.6Å; E236-H261 WeakPolarHBondContact CA-O 3.37Å; K237-H261 HydrophobicContact CB-CB 4.25Å; K237-H261 WeakPolarHBondContact CB-O 3.48Å; K237-H261 HydrophobicContact CD-CB 4.34Å; K237-H261 VanDerWaalsContact CD-CD2 3.44Å; K237-H261 WeakPolarHBondContact CD-CD2 3.39Å; K237-H261 PolarHBondContact N-O 2.79Å; K237-H261 PolarHBondContact NZ-CE1 3.5Å; K237-H261 PolarHBondContact NZ-NE2 3.26Å; D241-H261 IonicContact OD2-NE2 3.79Å; G256-H261 PolarHBondContact O-CE1 2.9Å; Q258-H261 PolarHBondContact N-ND1 3.28Å; Q258-H261 WeakPolarHBondContact O-CB 3.35Å; Q258-H261 PolarHBondContact O-N 3.45Å
262C78.3Confident71.8Confident63 Ų6368.6 Ų68.643%0.42638%0.379SS..EExtended strand (participates in β ladder)trans-134118.2176.9-63.30000108.6F235F235-C262 CarbonylContact O-C 3.45Å; F235-C262 VanDerWaalsContact O-CA 3.28Å; F235-C262 WeakPolarHBondContact O-CA 3.38Å
263C78.7Confident73Confident10 Ų1071.1 Ų71.17%0.06839%0.388CS..EExtended strand (participates in β ladder)trans-142.3123174.768.10000113.9F235 K265F235-C263 PolarHBondContact N-O 2.92Å; F235-C263 PolarHBondContact O-N 2.93Å; C263-K265 HydrophobicContact CB-CG 4.22Å; C263-K265 PolarHBondContact O-N 2.86Å
264H79.9Confident74.1Confident70 Ų7072.6 Ų72.632%0.32439%0.388SS..EExtended strand (participates in β ladder)trans-76.8115163.5-75-155.1000108.5V202 V232 I233 N234 H303V202-H264 PolarHBondContact O-ND1 3.43Å; V232-H264 HydrophobicContact CG1-CB 4.46Å; I233-H264 WeakPolarHBondContact O-CA 3.1Å; N234-H264 PolarHBondContact ND2-NE2 2.94Å; N234-H264 PolarHBondContact OD1-CD2 2.86Å; H264-H303 AromaticContact ND1-ND1 3.76Å
265K84.4Confident75.2Confident54 Ų5468.9 Ų68.924%0.23538%0.378CS..EExtended strand (participates in β ladder)trans-141.6148.9-179.9-72.3-65151.4-172.10114.6V232 I233 C263 L328 E329V232-K265 WeakPolarHBondContact CA-O 3.37Å; I233-K265 PolarHBondContact N-O 3.48Å; I233-K265 PolarHBondContact O-N 3.01Å; C263-K265 HydrophobicContact CB-CG 4.22Å; C263-K265 PolarHBondContact O-N 2.86Å; K265-L328 HydrophobicContact CB-CD2 3.63Å; K265-L328 HydrophobicContact CG-CD2 4.19Å; K265-E329 HydrophobicContact CD-CB 4.37Å; K265-E329 HydrophobicContact CD-CG 4.26Å; K265-E329 WeakPolarHBondContact CD-OE2 3.31Å; K265-E329 IonicContact NZ-OE2 2.63Å
266L85.9Confident76.3Confident3 Ų365.7 Ų65.72%0.01637%0.365CS..EExtended strand (participates in β ladder)trans-73.8136.1174.6-168.871.3000110.4V231 V232 Y268 E329V231-L266 CarbonylContact O-C 3.51Å; V232-L266 HydrophobicContact CG2-CD1 4.07Å; L266-Y268 HydrophobicContact CD2-CD1 3.98Å; L266-Y268 HydrophobicContact CD2-CE1 3.64Å; L266-Y268 HydrophobicContact CG-CD1 4.47Å; L266-Y268 HydrophobicContact CG-CE1 4.4Å; L266-E329 HydrophobicContact CB-CB 4.03Å; L266-E329 WeakPolarHBondContact CB-OE2 3.36Å; L266-E329 PolarHBondContact N-OE2 3.41Å; L266-E329 VanDerWaalsContact N-OE2 3.1Å; L266-E329 WeakPolarHBondContact O-CB 3.4Å; L266-E329 PolarHBondContact O-N 3.13Å
267I89.2Confident77.3Confident4 Ų467.6 Ų67.62%0.02137%0.368CS..EExtended strand (participates in β ladder)trans-108.9117.5169.9-63.2-171.5000107.2G230 V231 I233 F235 V269 Y326 E327 L328 L378G230-I267 CarbonylContact C-O 3.59Å; G230-I267 WeakPolarHBondContact CA-O 3.36Å; V231-I267 PolarHBondContact N-O 3.18Å; V231-I267 PolarHBondContact O-N 3.44Å; I233-I267 HydrophobicContact CB-CD1 4.01Å; I233-I267 HydrophobicContact CD1-CD1 3.54Å; I233-I267 HydrophobicContact CG1-CD1 3.74Å; I233-I267 HydrophobicContact CG1-CG1 4.34Å; F235-I267 HydrophobicContact CE2-CD1 4.01Å; F235-I267 HydrophobicContact CE2-CG1 4.38Å; F235-I267 HydrophobicContact CZ-CD1 3.74Å; I267-V269 PolarHBondContact O-N 3.34Å; I267-Y326 HydrophobicContact CG2-CG 4Å; I267-E327 CarbonylContact C-O 3.58Å; I267-E327 WeakPolarHBondContact CA-O 3.28Å; I267-L328 HydrophobicContact CG1-CG 4.48Å; I267-L378 HydrophobicContact CD1-CD2 3.64Å
268Y87.6Confident78.1Confident32 Ų3261.7 Ų61.713%0.12534%0.338CS..EExtended strand (participates in β ladder)trans-73.4121.2-177.4-57.5-65.8000111Q228 L266 E327 E329Q228-Y268 HydrophobicContact CB-CD1 4Å; Q228-Y268 HydrophobicContact CB-CE1 4Å; Q228-Y268 HydrophobicContact CG-CE1 4.41Å; L266-Y268 HydrophobicContact CD2-CD1 3.98Å; L266-Y268 HydrophobicContact CD2-CE1 3.64Å; L266-Y268 HydrophobicContact CG-CD1 4.47Å; L266-Y268 HydrophobicContact CG-CE1 4.4Å; Y268-E327 HydrophobicContact CD2-CB 4.16Å; Y268-E327 HydrophobicContact CD2-CG 4.1Å; Y268-E327 WeakPolarHBondContact CD2-O 3.34Å; Y268-E327 PolarHBondContact N-O 2.97Å; Y268-E329 HydrophobicContact CE2-CB 4.21Å
269V82.8Confident78.4Confident3 Ų363 Ų632%0.01835%0.346CS..  trans-111.692.5176.9-1780000107.1P117 L120 S229 V231 I267 P278 Y326P117-V269 HydrophobicContact CB-CG2 4.33Å; L120-V269 HydrophobicContact CD1-CB 3.55Å; L120-V269 HydrophobicContact CD1-CG1 3.48Å; L120-V269 VanDerWaalsContact CD1-CG1 3.48Å; L120-V269 HydrophobicContact CD1-CG2 4.14Å; S229-V269 PolarHBondContact O-N 2.96Å; S229-V269 PolarHBondContact OG-O 3.45Å; V231-V269 HydrophobicContact CG2-CG2 4.33Å; I267-V269 PolarHBondContact O-N 3.34Å; V269-P278 HydrophobicContact CG1-CB 3.62Å; V269-P278 HydrophobicContact CG1-CG 4.4Å; V269-Y326 HydrophobicContact CB-CD1 4.41Å; V269-Y326 HydrophobicContact CG1-CD1 4.39Å; V269-Y326 HydrophobicContact CG1-CE1 4.05Å; V269-Y326 HydrophobicContact CG2-CD1 3.82Å; V269-Y326 HydrophobicContact CG2-CE1 4Å
270R79.4Confident78.7Confident171 Ų17159.3 Ų59.365%0.64533%0.325SS*.PPolyproline II helixtrans-78.4130.9-176.8-60-176.4-178.2-148.50.5109.9E327R270-E327 IonicContact CZ-OE2 2.82Å; R270-E327 VanDerWaalsContact CZ-OE2 3.31Å; R270-E327 IonicContact NE-OE2 3.34Å; R270-E327 PolarHBondContact NE-OE2 3.38Å; R270-E327 IonicContact NH2-OE1 3.68Å; R270-E327 IonicContact NH2-OE2 3.69Å; R270-E327 PolarHBondContact NH2-OE2 3.14Å
271P75.3Confident79.1Confident64 Ų6460.9 Ų60.942%0.41633%0.333SS..PPolyproline II helixtrans-60.1145.3173.2-22.833.8000111.8
272N74.6Confident79.7Confident53 Ų5360.1 Ų60.128%0.28333%0.329SS..PPolyproline II helixtrans-72.3126.8177.1-177.6-40.1000109.7K274 T275 G276 V277 I279N272-K274 PolarHBondContact O-N 2.81Å; N272-K274 WeakPolarHBondContact OD1-CB 3.46Å; N272-K274 PolarHBondContact OD1-N 2.97Å; N272-T275 PolarHBondContact O-N 2.86Å; N272-T275 VanDerWaalsContact O-N 3.1Å; N272-G276 PolarHBondContact O-N 2.78Å; N272-V277 WeakPolarHBondContact CB-O 3.1Å; N272-V277 PolarHBondContact N-O 2.79Å; N272-I279 HydrophobicContact CB-CD1 4.05Å; N272-I279 HydrophobicContact CB-CG1 4.01Å
273P70.3Confident80.3Confident132 Ų13257.3 Ų57.386%0.85731%0.31SS*.THydrogen-bonded Turntrans-63.3-16.8-175.825.5-35.5000114.3
274K69.8Low81Confident192 Ų19256.9 Ų56.984%0.83531%0.307SS*.THydrogen-bonded Turntrans-86-21.4177-63.2-175.3177.9-178.90114.1N272N272-K274 PolarHBondContact O-N 2.81Å; N272-K274 WeakPolarHBondContact OD1-CB 3.46Å; N272-K274 PolarHBondContact OD1-N 2.97Å
275T70.7Confident81.6Confident80 Ų8053.6 Ų53.649%0.49129%0.292SS..THydrogen-bonded Turntrans-125.1-13.6-173.959.90000114.1N272 V277 I279N272-T275 PolarHBondContact O-N 2.86Å; N272-T275 VanDerWaalsContact O-N 3.1Å; T275-V277 PolarHBondContact O-N 3.38Å; T275-V277 PolarHBondContact OG1-O 3.16Å; T275-I279 HydrophobicContact CG2-CD1 4.14Å
276G68.1Low81.9Confident58 Ų5851 Ų5160%0.59828%0.281SS*.SBendtrans711.5-176.200000114.6N272N272-G276 PolarHBondContact O-N 2.78Å
277V76.4Confident82.1Confident88 Ų8852.7 Ų52.753%0.53330%0.295SS..SBendtrans-123139.7-177-176.20000108.2N272 T275 I279N272-V277 WeakPolarHBondContact CB-O 3.1Å; N272-V277 PolarHBondContact N-O 2.79Å; T275-V277 PolarHBondContact O-N 3.38Å; T275-V277 PolarHBondContact OG1-O 3.16Å; V277-I279 PolarHBondContact O-N 3.01Å
278P79.7Confident82Confident24 Ų2454 Ų5416%0.15630%0.301CS..  trans-60.2136.2170.527.2-36.6000110.7F118 L120 V269F118-P278 HydrophobicContact CB-CB 4.11Å; F118-P278 HydrophobicContact CB-CG 4.36Å; F118-P278 WeakPolarHBondContact O-CG 3.48Å; L120-P278 HydrophobicContact CD1-CG 4.35Å; V269-P278 HydrophobicContact CG1-CB 3.62Å; V269-P278 HydrophobicContact CG1-CG 4.4Å
279I79.6Confident81.9Confident89 Ų8955.4 Ų55.446%0.45631%0.306SS..  trans-115128.1175.8-55.4-175.4000107.2N272 T275 V277N272-I279 HydrophobicContact CB-CD1 4.05Å; N272-I279 HydrophobicContact CB-CG1 4.01Å; T275-I279 HydrophobicContact CG2-CD1 4.14Å; V277-I279 PolarHBondContact O-N 3.01Å
280G83.4Confident81.9Confident13 Ų1355.8 Ų55.813%0.13431%0.308CS..  trans-140.6167.9165.300000110.7F118 D324F118-G280 VanDerWaalsContact CD1-CA 3.42Å; G280-D324 VanDerWaalsContact CA-OD1 3.28Å; G280-D324 WeakPolarHBondContact CA-OD1 3.36Å; G280-D324 WeakPolarHBondContact CA-OD2 3.27Å
281H87Confident82Confident56 Ų5651.3 Ų51.326%0.25930%0.297SS..SBendtrans-117.8-33.2-171.6-5386000111.6P322 D324 S425H281-P322 HydrophobicContact CB-CB 4.44Å; H281-D324 IonicContact CE1-OD1 3.64Å; H281-D324 IonicContact CG-OD1 3.78Å; H281-D324 VanDerWaalsContact N-CG 3.27Å; H281-D324 PolarHBondContact N-OD1 3.4Å; H281-D324 PolarHBondContact N-OD2 2.99Å; H281-D324 IonicContact ND1-OD1 2.69Å; H281-D324 PolarHBondContact ND1-OD1 2.93Å; H281-S425 WeakPolarHBondContact O-CB 3.46Å; H281-S425 PolarHBondContact O-OG 3.13Å
282W91.6Very high82.2Confident3 Ų353.8 Ų53.81%0.01130%0.303CS..  trans-117.4125-170.3-57108.8000111.3P322 D324 V380 P382 Y422 L426 A429W282-P322 PolarHBondContact NE1-O 3.31Å; W282-D324 PolarHBondContact N-OD2 2.8Å; W282-V380 HydrophobicContact CB-CG1 3.9Å; W282-P382 HydrophobicContact CD2-CG 4.47Å; W282-P382 HydrophobicContact CH2-CB 4.15Å; W282-P382 HydrophobicContact CH2-CG 3.89Å; W282-P382 HydrophobicContact CZ2-CB 4.34Å; W282-P382 HydrophobicContact CZ2-CG 3.63Å; W282-P382 HydrophobicContact CZ3-CB 4.24Å; W282-P382 HydrophobicContact CZ3-CG 4.41Å; W282-Y422 HydrophobicContact CE3-CD1 4.15Å; W282-Y422 HydrophobicContact CE3-CE1 4.43Å; W282-L426 HydrophobicContact CH2-CB 4.45Å; W282-L426 HydrophobicContact CH2-CD1 4.11Å; W282-L426 HydrophobicContact CZ3-CB 4.36Å; W282-A429 HydrophobicContact CH2-CB 3.7Å; W282-A429 HydrophobicContact CZ2-CB 3.57Å
283P91.9Very high82.6Confident4 Ų457.6 Ų57.63%0.02632%0.324CS..PPolyproline II helixtrans-68.3159.5165.827.7-31.2000110.5R115 Y422R115-P283 CarbonylContact O-C 3.46Å; R115-P283 VanDerWaalsContact O-CA 3.27Å; R115-P283 WeakPolarHBondContact O-CA 3.26Å; R115-P283 WeakPolarHBondContact O-CB 3.41Å; P283-Y422 HydrophobicContact CG-CD1 4.11Å; P283-Y422 HydrophobicContact CG-CE1 3.66Å; P283-Y422 WeakPolarHBondContact O-CE1 3.18Å; P283-Y422 PolarHBondContact O-OH 3.26Å
284I93.3Very high83.1Confident1 Ų153 Ų531%0.00529%0.294CS..BIsolated β-bridgetrans-78.1141160.9-59.9-177.1000107.9R115 P117 W164 I233 V306 V351 F364R115-I284 HydrophobicContact CB-CB 4.48Å; R115-I284 PolarHBondContact N-O 2.92Å; R115-I284 PolarHBondContact O-N 3.1Å; P117-I284 HydrophobicContact CG-CD1 3.88Å; P117-I284 HydrophobicContact CG-CG1 3.93Å; W164-I284 HydrophobicContact CZ3-CD1 4.48Å; I233-I284 HydrophobicContact CD1-CD1 3.36Å; I284-V306 HydrophobicContact CG2-CG2 4.49Å; I284-V351 HydrophobicContact CG2-CG2 4.3Å; I284-F364 HydrophobicContact CB-CE2 4.37Å; I284-F364 HydrophobicContact CG1-CE2 4.1Å; I284-F364 HydrophobicContact CG2-CE2 3.98Å; I284-F364 HydrophobicContact CG2-CZ 4.06Å
285P91.6Very high83.8Confident1 Ų148.2 Ų48.21%0.00628%0.283CS..PPolyproline II helixtrans-61.3154.4-178.7-21.230.4000113.2V351 F364 Y383 Y422P285-V351 HydrophobicContact CB-CB 4.16Å; P285-V351 HydrophobicContact CB-CG2 4.12Å; P285-V351 HydrophobicContact CG-CB 4.42Å; P285-V351 HydrophobicContact CG-CG2 4.03Å; P285-F364 HydrophobicContact CG-CB 3.88Å; P285-F364 HydrophobicContact CG-CD1 4.05Å; P285-F364 HydrophobicContact CG-CD2 4.29Å; P285-F364 HydrophobicContact CG-CG 3.8Å; P285-Y383 HydrophobicContact CB-CD2 4.46Å; P285-Y383 HydrophobicContact CB-CE2 4.28Å; P285-Y383 HydrophobicContact CG-CD2 3.8Å; P285-Y383 HydrophobicContact CG-CE2 3.94Å; P285-Y422 WeakPolarHBondContact CD-OH 3.43Å; P285-Y422 HydrophobicContact CG-CE2 4.45Å; P285-Y422 VanDerWaalsContact CG-OH 3.31Å; P285-Y422 WeakPolarHBondContact CG-OH 3.4Å; P285-Y422 VanDerWaalsContact N-OH 3.1Å
286E90.8Very high84.4Confident1 Ų149.3 Ų49.31%0.00529%0.289CS..PPolyproline II helixtrans-70.6148.9161.7-66.4-50.8132.800111.4G114 R115 F288 R300 S354 Y421G114-E286 WeakPolarHBondContact CA-OE1 3.23Å; G114-E286 PolarHBondContact N-OE1 2.98Å; R115-E286 WeakPolarHBondContact CG-OE1 3.37Å; E286-F288 HydrophobicContact CB-CD1 3.77Å; E286-F288 HydrophobicContact CB-CE1 3.75Å; E286-F288 HydrophobicContact CB-CG 4.34Å; E286-F288 HydrophobicContact CB-CZ 4.31Å; E286-F288 HydrophobicContact CG-CD1 4.36Å; E286-F288 HydrophobicContact CG-CE1 3.82Å; E286-F288 HydrophobicContact CG-CZ 4.1Å; E286-F288 PolarHBondContact O-N 3.5Å; E286-F288 VanDerWaalsContact O-N 3.07Å; E286-R300 IonicContact OE1-CZ 3.56Å; E286-R300 IonicContact OE1-NE 2.94Å; E286-R300 PolarHBondContact OE1-NE 2.98Å; E286-R300 IonicContact OE1-NH2 2.67Å; E286-R300 PolarHBondContact OE1-NH2 3.08Å; E286-R300 IonicContact OE2-CZ 2.94Å; E286-R300 IonicContact OE2-NE 2.74Å; E286-R300 PolarHBondContact OE2-NE 3.23Å; E286-R300 IonicContact OE2-NH2 3.79Å; E286-S354 WeakPolarHBondContact O-CA 3.49Å; E286-S354 WeakPolarHBondContact O-CB 3.34Å; E286-Y421 HydrophobicContact CG-CE1 4.48Å; E286-Y421 PolarHBondContact N-OH 2.78Å
287A90.1Very high85.4Confident38 Ų3847.6 Ų47.631%0.31427%0.267SS..SBendtrans-80.532.3170.500000112.7V351 S352A287-V351 HydrophobicContact CB-CG1 4Å; A287-S352 VanDerWaalsContact CA-O 3.3Å; A287-S352 WeakPolarHBondContact CA-O 3.48Å
288F88.7Confident86Confident31 Ų3146.3 Ų46.314%0.13626%0.26CS..SBendtrans-161.3153.517467.9-85.5000109.8E286 P290 L297 P298 N353E286-F288 HydrophobicContact CB-CD1 3.77Å; E286-F288 HydrophobicContact CB-CE1 3.75Å; E286-F288 HydrophobicContact CB-CG 4.34Å; E286-F288 HydrophobicContact CB-CZ 4.31Å; E286-F288 HydrophobicContact CG-CD1 4.36Å; E286-F288 HydrophobicContact CG-CE1 3.82Å; E286-F288 HydrophobicContact CG-CZ 4.1Å; E286-F288 PolarHBondContact O-N 3.5Å; E286-F288 VanDerWaalsContact O-N 3.07Å; F288-P290 HydrophobicContact CE2-CB 4.2Å; F288-L297 HydrophobicContact CE2-CD2 4.12Å; F288-L297 HydrophobicContact CZ-CD2 4.26Å; F288-P298 HydrophobicContact CB-CG 4.01Å; F288-P298 HydrophobicContact CD1-CG 3.62Å; F288-P298 HydrophobicContact CD2-CG 3.57Å; F288-P298 HydrophobicContact CE1-CG 3.89Å; F288-P298 HydrophobicContact CE2-CG 3.84Å; F288-P298 HydrophobicContact CG-CG 3.46Å; F288-P298 VanDerWaalsContact CG-CG 3.46Å; F288-P298 HydrophobicContact CZ-CG 4Å; F288-N353 CarbonylContact C-O 3.52Å; F288-N353 WeakPolarHBondContact CA-O 3.49Å
289W85.8Confident86.5Confident62 Ų6247.9 Ų47.924%0.23527%0.27CS..PPolyproline II helixtrans-85.8122.8168.9-172.1-84.3000110.4D291 N353 K356 M418 P419W289-D291 PolarHBondContact O-N 2.86Å; W289-N353 PolarHBondContact N-O 3.49Å; W289-K356 HydrophobicContact CD2-CB 3.78Å; W289-K356 HydrophobicContact CE3-CB 3.96Å; W289-K356 HydrophobicContact CG-CB 4.18Å; W289-K356 HydrophobicContact CH2-CB 4.46Å; W289-K356 HydrophobicContact CZ2-CB 4.34Å; W289-K356 HydrophobicContact CZ3-CB 4.3Å; W289-M418 WeakPolarHBondContact CH2-O 3.19Å; W289-P419 HydrophobicContact CE3-CB 4.43Å; W289-P419 HydrophobicContact CE3-CG 4.28Å; W289-P419 HydrophobicContact CZ3-CB 4.13Å; W289-P419 HydrophobicContact CZ3-CG 3.86Å
290P82.3Confident87Confident10 Ų1044.5 Ų44.57%0.06525%0.252CS..PPolyproline II helixtrans-74.6117175.728.9-31.8000110.4F288 Y421 L447F288-P290 HydrophobicContact CE2-CB 4.2Å; P290-Y421 HydrophobicContact CG-CD1 3.81Å; P290-Y421 HydrophobicContact CG-CE1 3.75Å; P290-L447 HydrophobicContact CB-CD2 3.93Å
291D80.3Confident87.4Confident78 Ų7844.8 Ų44.842%0.41725%0.251SS..PPolyproline II helixtrans-83.3146.5168.3-166.1-9.7000109.9W289 N293 S294W289-D291 PolarHBondContact O-N 2.86Å; D291-N293 VanDerWaalsContact C-N 3.28Å; D291-N293 PolarHBondContact OD1-N 2.8Å; D291-N293 PolarHBondContact OD1-ND2 3.41Å; D291-S294 PolarHBondContact O-OG 3.09Å
292Q80.1Confident87.5Confident115 Ų11542.3 Ų42.354%0.53724%0.241SC..SBendtrans-77.9-19.4171.7-161.9169.88.400111.4S448Q292-S448 WeakPolarHBondContact O-CB 3.4Å; Q292-S448 PolarHBondContact O-OG 2.75Å
293N82.1Confident87.5Confident134 Ų13442.7 Ų42.772%0.71724%0.243SC*.SBendtrans-89.6-17.7179.1-54.3-70.6000113.8D291D291-N293 VanDerWaalsContact C-N 3.28Å; D291-N293 PolarHBondContact OD1-N 2.8Å; D291-N293 PolarHBondContact OD1-ND2 3.41Å
294S82.3Confident87.5Confident34 Ų3442.7 Ų42.724%0.23824%0.243CC..  trans-71.3124.3-179.454.70000111.2D291 T296D291-S294 PolarHBondContact O-OG 3.09Å; S294-T296 VanDerWaalsContact C-N 3.31Å; S294-T296 PolarHBondContact O-N 3.04Å
295P83.2Confident87.4Confident92 Ų9247.1 Ų47.160%0.59726%0.264SS*.SBendtrans-77.1-17-176.531.4-36.3000113.7
296T85.1Confident87.5Confident103 Ų10347.1 Ų47.163%0.63226%0.263SS*.SBendtrans-131.7161.7-179.1520000110.2S294S294-T296 VanDerWaalsContact C-N 3.31Å; S294-T296 PolarHBondContact O-N 3.04Å
297L87.4Confident87.5Confident23 Ų2350.2 Ų50.212%0.1228%0.275CS..PPolyproline II helixtrans-100.3145.5172-67.4177.2000110.5L157 F288 L447 V451 L455L157-L297 HydrophobicContact CD2-CB 4.33Å; F288-L297 HydrophobicContact CE2-CD2 4.12Å; F288-L297 HydrophobicContact CZ-CD2 4.26Å; L297-L447 HydrophobicContact CD1-CD1 4.49Å; L297-L447 HydrophobicContact CD2-CD2 4.27Å; L297-V451 HydrophobicContact CD1-CG1 3.65Å; L297-V451 HydrophobicContact CD2-CG1 4.11Å; L297-V451 HydrophobicContact CG-CG1 3.65Å; L297-V451 HydrophobicContact CG-CG2 4.37Å; L297-L455 HydrophobicContact CD1-CD1 4.4Å
298P89.6Confident87.5Confident60 Ų6048.4 Ų48.439%0.3926%0.26SS..PPolyproline II helixtrans-70.6147.4170.230.9-34.5000110.9F288 R300F288-P298 HydrophobicContact CB-CG 4.01Å; F288-P298 HydrophobicContact CD1-CG 3.62Å; F288-P298 HydrophobicContact CD2-CG 3.57Å; F288-P298 HydrophobicContact CE1-CG 3.89Å; F288-P298 HydrophobicContact CE2-CG 3.84Å; F288-P298 HydrophobicContact CG-CG 3.46Å; F288-P298 VanDerWaalsContact CG-CG 3.46Å; F288-P298 HydrophobicContact CZ-CG 4Å; P298-R300 PolarHBondContact O-N 2.83Å
299P89.6Confident87.6Confident58 Ų5848.1 Ų48.138%0.37726%0.262SS..PPolyproline II helixtrans-68.8127.7-178.826.8-34.3000111.6L157 K159L157-P299 WeakPolarHBondContact O-CA 3.46Å; K159-P299 WeakPolarHBondContact CE-O 3.38Å; K159-P299 HydrophobicContact CG-CB 3.96Å; K159-P299 HydrophobicContact CG-CG 4.19Å
300R91.1Very high87.6Confident18 Ų1845.5 Ų45.57%0.06825%0.253CS..BIsolated β-bridgetrans-67.6144.2173.9-77.3-179.4168.5158.5-6.6110.6N110 Y111 G114 L157 T158 K159 E286 P298N110-R300 PolarHBondContact O-NH2 3.32Å; Y111-R300 HydrophobicContact CD1-CG 4.41Å; G114-R300 PolarHBondContact O-NH2 3.23Å; G114-R300 VanDerWaalsContact O-NH2 3.16Å; L157-R300 PolarHBondContact O-N 3.35Å; T158-R300 CarbonylContact C-O 3.58Å; T158-R300 VanDerWaalsContact CA-O 3.3Å; T158-R300 WeakPolarHBondContact CA-O 3.48Å; K159-R300 PolarHBondContact N-O 3.16Å; E286-R300 IonicContact OE1-CZ 3.56Å; E286-R300 IonicContact OE1-NE 2.94Å; E286-R300 PolarHBondContact OE1-NE 2.98Å; E286-R300 IonicContact OE1-NH2 2.67Å; E286-R300 PolarHBondContact OE1-NH2 3.08Å; E286-R300 IonicContact OE2-CZ 2.94Å; E286-R300 IonicContact OE2-NE 2.74Å; E286-R300 PolarHBondContact OE2-NE 3.23Å; E286-R300 IonicContact OE2-NH2 3.79Å; P298-R300 PolarHBondContact O-N 2.83Å
301S91.3Very high87.8Confident18 Ų1847.9 Ų47.913%0.12627%0.274CS..PPolyproline II helixtrans-68.5147153.956.80000110R115 E160 H303R115-S301 VanDerWaalsContact CZ-O 3.23Å; R115-S301 PolarHBondContact NH1-O 3.26Å; R115-S301 PolarHBondContact NH2-O 3.32Å; R115-S301 PolarHBondContact NH2-OG 3.17Å; E160-S301 WeakPolarHBondContact OE1-CA 3.33Å; E160-S301 VanDerWaalsContact OE2-CA 3.29Å; E160-S301 WeakPolarHBondContact OE2-CA 3.33Å; S301-H303 WeakPolarHBondContact CB-O 3.37Å; S301-H303 PolarHBondContact OG-O 3.45Å
302A89.8Confident88Confident5 Ų547.7 Ų47.74%0.04127%0.273CS..SBendtrans-58.3-55.7173.800000109.8R115 E160 F162R115-A302 PolarHBondContact NH1-O 3.49Å; E160-A302 HydrophobicContact CB-CB 4.07Å; E160-A302 HydrophobicContact CG-CB 4.33Å; E160-A302 PolarHBondContact OE1-N 3.12Å; E160-A302 PolarHBondContact OE2-N 3.11Å; F162-A302 HydrophobicContact CD2-CB 3.77Å; F162-A302 HydrophobicContact CE2-CB 3.57Å; F162-A302 HydrophobicContact CZ-CB 4.29Å; F162-A302 WeakPolarHBondContact O-CB 3.39Å
303H92.2Very high88.3Confident10 Ų1043.3 Ų43.35%0.04626%0.256CS..SBendtrans-88.2131.6176.2-61.4167.1000110.9F162 V202 V232 H264 S301F162-H303 AromaticContact CE2-CE1 3.77Å; F162-H303 AromaticContact CE2-NE2 3.64Å; V202-H303 PolarHBondContact O-CE1 3.15Å; V202-H303 PolarHBondContact O-ND1 3.1Å; V232-H303 VanDerWaalsContact CG1-CE1 3.44Å; V232-H303 WeakPolarHBondContact CG1-CE1 3.28Å; H264-H303 AromaticContact ND1-ND1 3.76Å; S301-H303 WeakPolarHBondContact CB-O 3.37Å; S301-H303 PolarHBondContact OG-O 3.45Å
304P92Very high88.4Confident4 Ų445 Ų453%0.02626%0.26CS..  trans-69.7133.2171.429.3-32.3000109.3W164 I233 N234 V306W164-P304 HydrophobicContact CE3-CG 4.08Å; W164-P304 HydrophobicContact CZ3-CG 4.35Å; I233-P304 HydrophobicContact CB-CG 4.36Å; I233-P304 HydrophobicContact CD1-CG 3.89Å; I233-P304 HydrophobicContact CG1-CG 3.82Å; I233-P304 HydrophobicContact CG2-CG 4.26Å; N234-P304 PolarHBondContact N-O 3.45Å; N234-P304 VanDerWaalsContact N-O 3.13Å; P304-V306 HydrophobicContact CB-CG2 4.43Å; P304-V306 PolarHBondContact O-N 3.18Å
305Q90.5Very high88.5Confident95 Ų9544.8 Ų44.844%0.44426%0.258SS..EExtended strand (participates in β ladder)trans-85.898.2171.3-70.8172.6-31.800108
306V92.5Very high88.4Confident0 Ų043.6 Ų43.60%025%0.245CC..EExtended strand (participates in β ladder)trans-95.9120.5178.4173.80000108.1I233 N234 F235 E236 I284 P304 V349 F364I233-V306 HydrophobicContact CD1-CG2 4.41Å; I233-V306 HydrophobicContact CG2-CB 3.8Å; I233-V306 HydrophobicContact CG2-CG2 3.54Å; N234-V306 PolarHBondContact O-N 2.88Å; F235-V306 VanDerWaalsContact CA-O 3.31Å; F235-V306 WeakPolarHBondContact CA-O 3.46Å; F235-V306 HydrophobicContact CD1-CB 4.3Å; F235-V306 HydrophobicContact CD1-CG1 4.06Å; F235-V306 HydrophobicContact CE1-CB 4.42Å; F235-V306 HydrophobicContact CE1-CG1 3.99Å; E236-V306 PolarHBondContact N-O 3.35Å; I284-V306 HydrophobicContact CG2-CG2 4.49Å; P304-V306 HydrophobicContact CB-CG2 4.43Å; P304-V306 PolarHBondContact O-N 3.18Å; V306-V349 HydrophobicContact CG1-CB 3.74Å; V306-V349 HydrophobicContact CG1-CG1 4.11Å; V306-V349 HydrophobicContact CG1-CG2 4.3Å; V306-F364 HydrophobicContact CG1-CE1 4.08Å; V306-F364 HydrophobicContact CG1-CZ 3.93Å; V306-F364 HydrophobicContact CG2-CZ 4.07Å
307R91.2Very high88Confident66 Ų6641.8 Ų41.825%0.24923%0.234CC..EExtended strand (participates in β ladder)trans-94139.2179.7-82.1168.3171.8-158.1-17.5110.7E236 T238 V349 F350 S352E236-R307 HydrophobicContact CB-CG 4.05Å; E236-R307 VanDerWaalsContact CD-NH2 3.25Å; E236-R307 HydrophobicContact CG-CG 4.45Å; E236-R307 CarbonylContact O-C 3.6Å; E236-R307 WeakPolarHBondContact O-CA 3.29Å; E236-R307 IonicContact OE1-CZ 3.97Å; E236-R307 IonicContact OE1-NE 3.01Å; E236-R307 IonicContact OE1-NH2 3.83Å; E236-R307 PolarHBondContact OE1-NH2 3.14Å; E236-R307 IonicContact OE2-CZ 3.22Å; E236-R307 VanDerWaalsContact OE2-CZ 3.3Å; E236-R307 IonicContact OE2-NE 2.86Å; E236-R307 PolarHBondContact OE2-NE 2.84Å; E236-R307 IonicContact OE2-NH2 3.13Å; E236-R307 PolarHBondContact OE2-NH2 2.95Å; T238-R307 HydrophobicContact CG2-CB 3.68Å; T238-R307 HydrophobicContact CG2-CG 3.59Å; R307-V349 CarbonylContact O-C 3.45Å; R307-V349 VanDerWaalsContact O-CA 3.26Å; R307-V349 WeakPolarHBondContact O-CA 3.49Å; R307-F350 HydrophobicContact CB-CB 4.44Å; R307-F350 PolarHBondContact N-O 2.92Å; R307-F350 PolarHBondContact O-N 2.85Å; R307-S352 WeakPolarHBondContact CD-OG 3.29Å; R307-S352 PolarHBondContact NE-OG 3.37Å; R307-S352 PolarHBondContact NH1-OG 3.37Å; R307-S352 VanDerWaalsContact NH1-OG 3.08Å
308F91.3Very high87.6Confident0 Ų042.2 Ų42.20%024%0.236CC..EExtended strand (participates in β ladder)trans-125.4132.9178.972.2-86.1000111.6F235 E236 K237 T238 W260 L333 W347 Q348 V349 L367F235-F308 HydrophobicContact CB-CD1 4.14Å; F235-F308 HydrophobicContact CB-CE1 4.21Å; E236-F308 VanDerWaalsContact O-CD1 3.32Å; E236-F308 WeakPolarHBondContact O-CD1 3.4Å; E236-F308 PolarHBondContact O-N 3.18Å; K237-F308 HydrophobicContact CB-CE1 4.01Å; K237-F308 HydrophobicContact CB-CE2 4.3Å; K237-F308 HydrophobicContact CB-CZ 3.76Å; K237-F308 HydrophobicContact CG-CE2 4.31Å; K237-F308 HydrophobicContact CG-CZ 4.22Å; T238-F308 PolarHBondContact N-O 3.32Å; T238-F308 PolarHBondContact OG1-O 2.97Å; W260-F308 HydrophobicContact CE3-CE2 4.34Å; W260-F308 HydrophobicContact CE3-CZ 4.08Å; W260-F308 AromaticContact CZ3-CE2 3.99Å; W260-F308 HydrophobicContact CZ3-CE2 3.99Å; W260-F308 HydrophobicContact CZ3-CZ 4.1Å; F308-L333 HydrophobicContact CD1-CD2 4.48Å; F308-L333 HydrophobicContact CE1-CD1 4.19Å; F308-L333 HydrophobicContact CE1-CD2 4.01Å; F308-L333 HydrophobicContact CE2-CD1 3.73Å; F308-L333 HydrophobicContact CZ-CD1 3.5Å; F308-L333 VanDerWaalsContact CZ-CD1 3.5Å; F308-L333 HydrophobicContact CZ-CD2 4.17Å; F308-L333 HydrophobicContact CZ-CG 4.5Å; F308-W347 HydrophobicContact CD2-CE3 4.08Å; F308-W347 HydrophobicContact CE2-CE3 4.15Å; F308-W347 HydrophobicContact CE2-CZ3 4.27Å; F308-Q348 WeakPolarHBondContact CA-O 3.44Å; F308-V349 HydrophobicContact CB-CG1 3.95Å; F308-L367 HydrophobicContact CB-CD1 4.34Å; F308-L367 HydrophobicContact CG-CD1 4.44Å
309S89.3Confident86.7Confident25 Ų2547.3 Ų47.318%0.17526%0.26CS..EExtended strand (participates in β ladder)trans-94133.6176-179.90000110.2A311 W347 Q348S309-A311 PolarHBondContact O-N 2.99Å; S309-A311 PolarHBondContact OG-N 2.73Å; S309-W347 VanDerWaalsContact O-CB 3.32Å; S309-W347 WeakPolarHBondContact O-CB 3.33Å; S309-Q348 PolarHBondContact N-O 3.45Å; S309-Q348 VanDerWaalsContact N-O 3.07Å
310C86.4Confident86.1Confident7 Ų749.4 Ų49.45%0.04726%0.263CS..EExtended strand (participates in β ladder)trans-80.814.6178.5-60.30000113.6P242P242-C310 HydrophobicContact CB-CB 3.92Å; P242-C310 HydrophobicContact CG-CB 3.95Å
311A86.6Confident85.7Confident61 Ų6148.9 Ų48.950%0.50426%0.262SS..EExtended strand (participates in β ladder)trans-76.1120.8170.600000110.2S309 A313S309-A311 PolarHBondContact O-N 2.99Å; S309-A311 PolarHBondContact OG-N 2.73Å; A311-A313 PolarHBondContact O-N 2.75Å
312D85.5Confident85.5Confident73 Ų7348.9 Ų48.939%0.3926%0.261SS..EExtended strand (participates in β ladder)trans-67.6117.9176.6-75.7-52.6000110.7R340 T345 W347D312-R340 IonicContact OD2-NH2 3.26Å; D312-T345 HydrophobicContact CB-CG2 3.97Å; D312-T345 VanDerWaalsContact OD1-CB 3.27Å; D312-T345 WeakPolarHBondContact OD1-CB 3.48Å; D312-T345 PolarHBondContact OD1-OG1 3.2Å; D312-W347 PolarHBondContact OD1-NE1 2.68Å
313A85.6Confident85.4Confident24 Ų2452.1 Ų52.120%0.19828%0.275CS..EExtended strand (participates in β ladder)trans-120.8155.8178.400000111.8A311 C346 Q348A311-A313 PolarHBondContact O-N 2.75Å; A313-C346 PolarHBondContact N-O 3.4Å; A313-C346 PolarHBondContact O-N 2.71Å; A313-C346 PolarHBondContact O-SG 2.88Å; A313-Q348 HydrophobicContact CB-CG 4.18Å
314E85.1Confident85.3Confident168 Ų16852 Ų5279%0.78527%0.274SS*.  trans-76.6133175.6-67-169.6169.300111.9M316E314-M316 PolarHBondContact O-N 2.91Å
315P83.5Confident85.2Confident31 Ų3157.3 Ų57.320%0.20130%0.297CS..  trans-78.391-176.629.8-34.4000111.6V317 H344 C346 Y366 K368P315-V317 PolarHBondContact O-N 3.06Å; P315-H344 WeakPolarHBondContact CD-O 3.38Å; P315-H344 WeakPolarHBondContact CG-O 3.17Å; P315-C346 HydrophobicContact CB-CB 4.21Å; P315-Y366 HydrophobicContact CB-CE2 3.87Å; P315-K368 HydrophobicContact CB-CD 3.89Å; P315-K368 HydrophobicContact CG-CD 4.19Å; P315-K368 VanDerWaalsContact CG-NZ 3.34Å
316M80Confident85.3Confident66 Ų6653.5 Ų53.533%0.32528%0.278SS..  trans-65.4124.8177.3-54.317886.200111.5E314 Y366 Y385 P386 L389 P390E314-M316 PolarHBondContact O-N 2.91Å; M316-Y366 PolarHBondContact O-OH 2.89Å; M316-Y385 HydrophobicContact CB-CD2 4.37Å; M316-Y385 HydrophobicContact CB-CE2 4.17Å; M316-Y385 HydrophobicContact CG-CE2 4.28Å; M316-Y385 HydrophobicContact SD-CD2 4.21Å; M316-Y385 HydrophobicContact SD-CE2 4.01Å; M316-P386 HydrophobicContact SD-CB 4.34Å; M316-L389 HydrophobicContact CB-CD1 3.64Å; M316-L389 HydrophobicContact CE-CB 4.41Å; M316-P390 HydrophobicContact CE-CG 3.86Å
317V78.5Confident85.3Confident66 Ų6655.3 Ų55.340%0.429%0.287SS..  trans-141.5141.4174.9-177.20000108.8P315 F323 Y366P315-V317 PolarHBondContact O-N 3.06Å; V317-F323 HydrophobicContact CG1-CD1 4.27Å; V317-F323 HydrophobicContact CG1-CE1 3.83Å; V317-Y366 VanDerWaalsContact CG2-OH 3.29Å; V317-Y366 WeakPolarHBondContact CG2-OH 3.45Å
318I78.2Confident85.3Confident31 Ų3152.4 Ų52.416%0.15928%0.276CS..  trans-131.8123175.4-61.2176.5000107.8K320 V321 L389 D393I318-K320 PolarHBondContact O-N 3.25Å; I318-V321 HydrophobicContact CB-CB 4.41Å; I318-V321 HydrophobicContact CB-CG2 3.95Å; I318-V321 HydrophobicContact CG2-CG2 4.14Å; I318-V321 PolarHBondContact O-N 2.82Å; I318-L389 HydrophobicContact CD1-CB 3.84Å; I318-L389 HydrophobicContact CD1-CD2 4.11Å; I318-L389 HydrophobicContact CD1-CG 4.48Å; I318-L389 VanDerWaalsContact CD1-O 3.23Å; I318-L389 WeakPolarHBondContact CD1-O 3.39Å; I318-D393 HydrophobicContact CD1-CB 3.84Å
319D70.1Confident85.2Confident167 Ų16754.3 Ų54.389%0.89329%0.285SS*.THydrogen-bonded Turntrans-52.5-24.9-170.1-60.3-27.4000116.1
320K76.9Confident85.1Confident103 Ų10357.8 Ų57.845%0.44831%0.307SS..THydrogen-bonded Turntrans-91.9-19.8-179.7-62.8-173-178.5179.20113.8I318 P322 I396 M433I318-K320 PolarHBondContact O-N 3.25Å; K320-P322 WeakPolarHBondContact O-CD 3.5Å; K320-I396 HydrophobicContact CB-CD1 4.45Å; K320-I396 HydrophobicContact CD-CD1 4.3Å; K320-I396 HydrophobicContact CD-CG2 4.36Å; K320-M433 HydrophobicContact CB-CG 4.32Å; K320-M433 HydrophobicContact CB-SD 3.75Å; K320-M433 VanDerWaalsContact O-CG 3.29Å; K320-M433 WeakPolarHBondContact O-CG 3.31Å
321V82.6Confident85.1Confident7 Ų757.7 Ų57.74%0.04231%0.306CS..SBendtrans-83.7117.9-178.5-179.90000108.3I318 F323 P382 L389 L392 M433I318-V321 HydrophobicContact CB-CB 4.41Å; I318-V321 HydrophobicContact CB-CG2 3.95Å; I318-V321 HydrophobicContact CG2-CG2 4.14Å; I318-V321 PolarHBondContact O-N 2.82Å; V321-F323 PolarHBondContact O-N 3.26Å; V321-P382 HydrophobicContact CG1-CG 4.45Å; V321-L389 HydrophobicContact CB-CD2 4.32Å; V321-L389 HydrophobicContact CG1-CD2 4.01Å; V321-L389 HydrophobicContact CG2-CD2 4.01Å; V321-L392 HydrophobicContact CG2-CD1 4.02Å; V321-M433 HydrophobicContact CB-SD 4.39Å; V321-M433 HydrophobicContact CG2-CE 4.23Å; V321-M433 HydrophobicContact CG2-SD 3.59Å; V321-M433 VanDerWaalsContact CG2-SD 3.59Å
322P86.8Confident85.2Confident17 Ų1757.2 Ų57.211%0.1130%0.298CS..  trans-65.8135.9173.928.3-33.8000109.8H281 W282 K320 A429 I432H281-P322 HydrophobicContact CB-CB 4.44Å; W282-P322 PolarHBondContact NE1-O 3.31Å; K320-P322 WeakPolarHBondContact O-CD 3.5Å; P322-A429 HydrophobicContact CG-CB 3.73Å; P322-I432 HydrophobicContact CG-CD1 4.31Å
323F87.8Confident85.3Confident74 Ų7453.7 Ų53.733%0.32528%0.28SS..  trans-131.3154.6173.461.3-94.3000109.3V317 V321 K325 F379 M381V317-F323 HydrophobicContact CG1-CD1 4.27Å; V317-F323 HydrophobicContact CG1-CE1 3.83Å; V321-F323 PolarHBondContact O-N 3.26Å; F323-K325 HydrophobicContact CE2-CB 4.35Å; F323-F379 AromaticContact CD2-CD1 3.87Å; F323-F379 HydrophobicContact CD2-CD1 3.87Å; F323-F379 HydrophobicContact CD2-CE1 4.28Å; F323-F379 AromaticContact CE2-CD1 3.93Å; F323-F379 HydrophobicContact CE2-CD1 3.93Å; F323-F379 AromaticContact CE2-CE1 3.86Å; F323-F379 HydrophobicContact CE2-CE1 3.86Å; F323-M381 HydrophobicContact CB-CE 4.42Å; F323-M381 HydrophobicContact CB-SD 3.5Å; F323-M381 VanDerWaalsContact CB-SD 3.5Å; F323-M381 HydrophobicContact CG-SD 4.37Å
324D90.3Very high85.4Confident6 Ų652.9 Ų52.93%0.03227%0.272CS..EExtended strand (participates in β ladder)trans-103.6126.7177-57.1-26.9000109.3G280 H281 W282 Y326 F379 V380G280-D324 VanDerWaalsContact CA-OD1 3.28Å; G280-D324 WeakPolarHBondContact CA-OD1 3.36Å; G280-D324 WeakPolarHBondContact CA-OD2 3.27Å; H281-D324 IonicContact CE1-OD1 3.64Å; H281-D324 IonicContact CG-OD1 3.78Å; H281-D324 VanDerWaalsContact N-CG 3.27Å; H281-D324 PolarHBondContact N-OD1 3.4Å; H281-D324 PolarHBondContact N-OD2 2.99Å; H281-D324 IonicContact ND1-OD1 2.69Å; H281-D324 PolarHBondContact ND1-OD1 2.93Å; W282-D324 PolarHBondContact N-OD2 2.8Å; D324-Y326 HydrophobicContact CB-CD2 4.3Å; D324-Y326 HydrophobicContact CB-CE1 4.5Å; D324-Y326 HydrophobicContact CB-CE2 3.45Å; D324-Y326 VanDerWaalsContact CB-CE2 3.45Å; D324-Y326 WeakPolarHBondContact CB-OH 3.48Å; D324-Y326 PolarHBondContact OD2-OH 3.41Å; D324-F379 WeakPolarHBondContact O-CA 3.28Å; D324-V380 HydrophobicContact CB-CB 4.3Å; D324-V380 PolarHBondContact N-O 2.84Å; D324-V380 PolarHBondContact O-N 3.48Å
325K90.9Very high85.6Confident117 Ų11750 Ų5051%0.50926%0.259SS..EExtended strand (participates in β ladder)trans-109.5116.9176.4179.8-172.3171.9-1750109F323 N377 F379F323-K325 HydrophobicContact CE2-CB 4.35Å; K325-N377 WeakPolarHBondContact CE-OD1 3.49Å; K325-N377 HydrophobicContact CG-CB 4.23Å; K325-F379 HydrophobicContact CB-CD1 4.33Å; K325-F379 HydrophobicContact CB-CE1 4.17Å; K325-F379 HydrophobicContact CD-CE1 4.04Å; K325-F379 HydrophobicContact CD-CZ 3.97Å; K325-F379 HydrophobicContact CG-CD1 4.4Å; K325-F379 HydrophobicContact CG-CE1 3.94Å; K325-F379 HydrophobicContact CG-CZ 4.04Å
326Y92Very high85.8Confident14 Ų1450.9 Ų50.96%0.05526%0.258CS..EExtended strand (participates in β ladder)trans-118.7145.3174.8-49.5-77000110.9P117 I267 V269 D324 N377 L378 V380P117-Y326 HydrophobicContact CB-CE1 4.42Å; P117-Y326 HydrophobicContact CB-CE2 4.4Å; P117-Y326 HydrophobicContact CG-CE2 4.33Å; I267-Y326 HydrophobicContact CG2-CG 4Å; V269-Y326 HydrophobicContact CB-CD1 4.41Å; V269-Y326 HydrophobicContact CG1-CD1 4.39Å; V269-Y326 HydrophobicContact CG1-CE1 4.05Å; V269-Y326 HydrophobicContact CG2-CD1 3.82Å; V269-Y326 HydrophobicContact CG2-CE1 4Å; D324-Y326 HydrophobicContact CB-CD2 4.3Å; D324-Y326 HydrophobicContact CB-CE1 4.5Å; D324-Y326 HydrophobicContact CB-CE2 3.45Å; D324-Y326 VanDerWaalsContact CB-CE2 3.45Å; D324-Y326 WeakPolarHBondContact CB-OH 3.48Å; D324-Y326 PolarHBondContact OD2-OH 3.41Å; Y326-N377 CarbonylContact O-C 3.48Å; Y326-N377 VanDerWaalsContact O-CA 3.23Å; Y326-N377 WeakPolarHBondContact O-CA 3.47Å; Y326-L378 PolarHBondContact N-O 3.2Å; Y326-L378 PolarHBondContact O-N 2.83Å; Y326-V380 HydrophobicContact CD2-CG2 3.85Å; Y326-V380 HydrophobicContact CE2-CB 4.23Å; Y326-V380 HydrophobicContact CE2-CG2 3.74Å
327E92.1Very high86.1Confident39 Ų3948.4 Ų48.418%0.18225%0.246CC..EExtended strand (participates in β ladder)trans-96.4136.8-176.9-177174.4-142.500110.2I267 Y268 R270 C375I267-E327 CarbonylContact C-O 3.58Å; I267-E327 WeakPolarHBondContact CA-O 3.28Å; Y268-E327 HydrophobicContact CD2-CB 4.16Å; Y268-E327 HydrophobicContact CD2-CG 4.1Å; Y268-E327 WeakPolarHBondContact CD2-O 3.34Å; Y268-E327 PolarHBondContact N-O 2.97Å; R270-E327 IonicContact CZ-OE2 2.82Å; R270-E327 VanDerWaalsContact CZ-OE2 3.31Å; R270-E327 IonicContact NE-OE2 3.34Å; R270-E327 PolarHBondContact NE-OE2 3.38Å; R270-E327 IonicContact NH2-OE1 3.68Å; R270-E327 IonicContact NH2-OE2 3.69Å; R270-E327 PolarHBondContact NH2-OE2 3.14Å; E327-C375 HydrophobicContact CG-CB 4.07Å; E327-C375 PolarHBondContact OE1-SG 2.76Å
328L91.4Very high86.6Confident4 Ų447 Ų472%0.02124%0.236CC..EExtended strand (participates in β ladder)trans-96.4135.4-174.7-147.6170.8000110.5F235 K265 I267 T334 L367 V376F235-L328 HydrophobicContact CE2-CD1 3.82Å; F235-L328 HydrophobicContact CE2-CD2 4.47Å; F235-L328 HydrophobicContact CE2-CG 4.21Å; F235-L328 HydrophobicContact CZ-CD1 3.87Å; K265-L328 HydrophobicContact CB-CD2 3.63Å; K265-L328 HydrophobicContact CG-CD2 4.19Å; I267-L328 HydrophobicContact CG1-CG 4.48Å; L328-T334 HydrophobicContact CB-CG2 4.1Å; L328-T334 HydrophobicContact CD1-CG2 4.21Å; L328-T334 HydrophobicContact CD2-CG2 3.93Å; L328-T334 HydrophobicContact CG-CG2 4.3Å; L328-L367 HydrophobicContact CD1-CD2 3.84Å; L328-V376 WeakPolarHBondContact CB-O 3.37Å; L328-V376 PolarHBondContact N-O 3.28Å
329E89.5Confident87.1Confident41 Ų4151 Ų5119%0.19225%0.254CS..PPolyproline II helixtrans-56.4137173.5178.5179.3-136.400112.8K265 L266 Y268 S331K265-E329 HydrophobicContact CD-CB 4.37Å; K265-E329 HydrophobicContact CD-CG 4.26Å; K265-E329 WeakPolarHBondContact CD-OE2 3.31Å; K265-E329 IonicContact NZ-OE2 2.63Å; L266-E329 HydrophobicContact CB-CB 4.03Å; L266-E329 WeakPolarHBondContact CB-OE2 3.36Å; L266-E329 PolarHBondContact N-OE2 3.41Å; L266-E329 VanDerWaalsContact N-OE2 3.1Å; L266-E329 WeakPolarHBondContact O-CB 3.4Å; L266-E329 PolarHBondContact O-N 3.13Å; Y268-E329 HydrophobicContact CE2-CB 4.21Å; E329-S331 PolarHBondContact O-N 2.87Å; E329-S331 PolarHBondContact O-OG 3.33Å
330P88.4Confident87.7Confident98 Ų9844.9 Ų44.964%0.63622%0.219SC*.SBendtrans-50.4128.9175.3-30.436.9000113.8
331S86.4Confident88Confident4 Ų447.5 Ų47.53%0.02823%0.23CC..  trans-163.9164.1-170.159.30000112.1E329 L333 T334 Q335E329-S331 PolarHBondContact O-N 2.87Å; E329-S331 PolarHBondContact O-OG 3.33Å; S331-L333 PolarHBondContact O-N 2.87Å; S331-T334 PolarHBondContact N-OG1 2.97Å; S331-T334 PolarHBondContact O-N 3.49Å; S331-T334 PolarHBondContact O-OG1 3.29Å; S331-T334 WeakPolarHBondContact OG-CG2 3.43Å; S331-T334 PolarHBondContact OG-N 3.42Å; S331-T334 PolarHBondContact OG-OG1 2.86Å; S331-Q335 WeakPolarHBondContact O-CG 3.38Å; S331-Q335 PolarHBondContact O-N 3.19Å; S331-Q335 PolarHBondContact O-OE1 2.92Å
332P87.6Confident87.9Confident51 Ų5148.9 Ų48.933%0.33124%0.24SC..Hα-helixtrans-53.3-38.1175.3-28.836.8000113.6P259 W260 Q335 Y336P259-P332 HydrophobicContact CB-CB 4.3Å; P259-P332 HydrophobicContact CB-CG 4.21Å; W260-P332 HydrophobicContact CB-CB 3.99Å; P332-Q335 PolarHBondContact O-N 3.33Å; P332-Y336 WeakPolarHBondContact O-CB 3.38Å; P332-Y336 PolarHBondContact O-N 3Å
333L88.1Confident87.5Confident0 Ų049.1 Ų49.10%024%0.242CC..Hα-helixtrans-62.9-44.6174.6178.760.1000112.2F235 W260 F308 S331 I337 W347 L367F235-L333 HydrophobicContact CB-CD2 3.93Å; F235-L333 HydrophobicContact CG-CD2 4.16Å; W260-L333 HydrophobicContact CB-CB 4.32Å; W260-L333 HydrophobicContact CE3-CD1 4.03Å; F308-L333 HydrophobicContact CD1-CD2 4.48Å; F308-L333 HydrophobicContact CE1-CD1 4.19Å; F308-L333 HydrophobicContact CE1-CD2 4.01Å; F308-L333 HydrophobicContact CE2-CD1 3.73Å; F308-L333 HydrophobicContact CZ-CD1 3.5Å; F308-L333 VanDerWaalsContact CZ-CD1 3.5Å; F308-L333 HydrophobicContact CZ-CD2 4.17Å; F308-L333 HydrophobicContact CZ-CG 4.5Å; S331-L333 PolarHBondContact O-N 2.87Å; L333-I337 HydrophobicContact CD1-CD1 3.87Å; L333-I337 HydrophobicContact CD1-CG1 4.36Å; L333-I337 HydrophobicContact CG-CD1 3.99Å; L333-I337 WeakPolarHBondContact O-CD1 3.42Å; L333-I337 VanDerWaalsContact O-CG1 3.28Å; L333-I337 WeakPolarHBondContact O-CG1 3.5Å; L333-I337 PolarHBondContact O-N 3.11Å; L333-W347 HydrophobicContact CD1-CZ3 4.45Å; L333-L367 HydrophobicContact CD2-CD1 4.18Å
334T88.2Confident87.3Confident7 Ų752.9 Ų52.94%0.04326%0.26CS..Hα-helixtrans-69.2-35.5177.259.90000112.9L328 S331 I337 L338 V376L328-T334 HydrophobicContact CB-CG2 4.1Å; L328-T334 HydrophobicContact CD1-CG2 4.21Å; L328-T334 HydrophobicContact CD2-CG2 3.93Å; L328-T334 HydrophobicContact CG-CG2 4.3Å; S331-T334 PolarHBondContact N-OG1 2.97Å; S331-T334 PolarHBondContact O-N 3.49Å; S331-T334 PolarHBondContact O-OG1 3.29Å; S331-T334 WeakPolarHBondContact OG-CG2 3.43Å; S331-T334 PolarHBondContact OG-N 3.42Å; S331-T334 PolarHBondContact OG-OG1 2.86Å; T334-I337 PolarHBondContact O-N 3.41Å; T334-L338 WeakPolarHBondContact O-CB 3.45Å; T334-L338 WeakPolarHBondContact O-CG 3.48Å; T334-L338 PolarHBondContact O-N 3.32Å; T334-V376 HydrophobicContact CG2-CB 3.83Å; T334-V376 HydrophobicContact CG2-CG2 3.95Å
335Q88.3Confident87.2Confident108 Ų10854.6 Ų54.651%0.50527%0.27SS..Hα-helixtrans-63.1-51.7176-70.9168.6-60.500109.8S331 P332 I337 L338 E339S331-Q335 WeakPolarHBondContact O-CG 3.38Å; S331-Q335 PolarHBondContact O-N 3.19Å; S331-Q335 PolarHBondContact O-OE1 2.92Å; P332-Q335 PolarHBondContact O-N 3.33Å; Q335-I337 VanDerWaalsContact C-N 3.33Å; Q335-I337 PolarHBondContact O-N 3.25Å; Q335-L338 PolarHBondContact O-N 2.93Å; Q335-E339 WeakPolarHBondContact O-CB 3.43Å; Q335-E339 VanDerWaalsContact O-CG 3.29Å; Q335-E339 WeakPolarHBondContact O-CG 3.49Å; Q335-E339 PolarHBondContact O-N 2.98Å
336Y87.4Confident87.2Confident49 Ų4949.1 Ų49.119%0.19225%0.247CC..Hα-helixtrans-57.6-41.1177.4-172-112.4000113.3P242 W260 P332 R340 W347P242-Y336 HydrophobicContact CG-CE1 4.04Å; P242-Y336 WeakPolarHBondContact CG-OH 3.41Å; W260-Y336 AromaticContact CD2-CD1 3.87Å; W260-Y336 HydrophobicContact CD2-CD1 3.87Å; W260-Y336 HydrophobicContact CD2-CE1 4.28Å; W260-Y336 HydrophobicContact CD2-CG 4.25Å; W260-Y336 AromaticContact CE2-CD1 3.86Å; W260-Y336 AromaticContact CE2-CE1 3.86Å; W260-Y336 AromaticContact CE3-CD1 3.94Å; W260-Y336 HydrophobicContact CE3-CD1 3.94Å; W260-Y336 HydrophobicContact CE3-CE1 4.32Å; W260-Y336 HydrophobicContact CG-CG 4.45Å; W260-Y336 HydrophobicContact CH2-CD1 4Å; W260-Y336 AromaticContact CH2-CE1 3.52Å; W260-Y336 HydrophobicContact CH2-CE1 3.52Å; W260-Y336 AromaticContact CZ2-CD1 3.95Å; W260-Y336 HydrophobicContact CZ2-CD1 3.95Å; W260-Y336 AromaticContact CZ2-CE1 3.48Å; W260-Y336 HydrophobicContact CZ2-CE1 3.48Å; W260-Y336 VanDerWaalsContact CZ2-CE1 3.48Å; W260-Y336 AromaticContact CZ2-CZ 3.82Å; W260-Y336 HydrophobicContact CZ3-CD1 4.01Å; W260-Y336 AromaticContact CZ3-CE1 3.96Å; W260-Y336 HydrophobicContact CZ3-CE1 3.96Å; P332-Y336 WeakPolarHBondContact O-CB 3.38Å; P332-Y336 PolarHBondContact O-N 3Å; Y336-R340 WeakPolarHBondContact O-CG 3.31Å; Y336-R340 PolarHBondContact O-N 3.3Å; Y336-W347 AromaticContact CD1-CH2 3.89Å; Y336-W347 HydrophobicContact CD1-CH2 3.89Å; Y336-W347 HydrophobicContact CD1-CZ3 4.34Å; Y336-W347 AromaticContact CE1-CH2 3.8Å; Y336-W347 HydrophobicContact CE1-CH2 3.8Å
337I87.3Confident87.2Confident13 Ų1348.9 Ų48.97%0.06725%0.246CC..Hα-helixtrans-66.1-38.7175.4-71.2167.2000112L333 T334 Q335 W347 L367 A369 V376L333-I337 HydrophobicContact CD1-CD1 3.87Å; L333-I337 HydrophobicContact CD1-CG1 4.36Å; L333-I337 HydrophobicContact CG-CD1 3.99Å; L333-I337 WeakPolarHBondContact O-CD1 3.42Å; L333-I337 VanDerWaalsContact O-CG1 3.28Å; L333-I337 WeakPolarHBondContact O-CG1 3.5Å; L333-I337 PolarHBondContact O-N 3.11Å; T334-I337 PolarHBondContact O-N 3.41Å; Q335-I337 VanDerWaalsContact C-N 3.33Å; Q335-I337 PolarHBondContact O-N 3.25Å; I337-W347 HydrophobicContact CD1-CE3 3.98Å; I337-W347 HydrophobicContact CD1-CZ3 3.96Å; I337-W347 HydrophobicContact CG1-CE3 3.86Å; I337-W347 HydrophobicContact CG1-CH2 3.97Å; I337-W347 HydrophobicContact CG1-CZ3 3.43Å; I337-W347 VanDerWaalsContact CG1-CZ3 3.43Å; I337-L367 HydrophobicContact CD1-CB 4.48Å; I337-L367 HydrophobicContact CD1-CD1 4.31Å; I337-A369 HydrophobicContact CG2-CB 4.27Å; I337-V376 HydrophobicContact CB-CG2 3.92Å; I337-V376 HydrophobicContact CD1-CG1 4.11Å; I337-V376 HydrophobicContact CG2-CG1 4.23Å; I337-V376 HydrophobicContact CG2-CG2 3.62Å
338L88.6Confident87.2Confident36 Ų3649.4 Ų49.419%0.18825%0.248CC..Hα-helixtrans-74.6-33.6179.7-68.8174000112.3T334 Q335 R340 K341 A369 L373 V376T334-L338 WeakPolarHBondContact O-CB 3.45Å; T334-L338 WeakPolarHBondContact O-CG 3.48Å; T334-L338 PolarHBondContact O-N 3.32Å; Q335-L338 PolarHBondContact O-N 2.93Å; L338-R340 VanDerWaalsContact C-N 3.28Å; L338-R340 PolarHBondContact O-N 3.07Å; L338-K341 PolarHBondContact O-N 3.04Å; L338-A369 HydrophobicContact CD2-CB 3.95Å; L338-L373 HydrophobicContact CD2-CB 4.26Å; L338-L373 HydrophobicContact CD2-CD2 4.19Å; L338-L373 WeakPolarHBondContact CD2-O 3.4Å; L338-V376 HydrophobicContact CD2-CG2 4.18Å; L338-V376 HydrophobicContact CG-CG2 3.99Å
339E88.3Confident87.3Confident115 Ų11549.2 Ų49.254%0.53725%0.247SC..Hα-helixtrans-60.9-33.3175.4-76.6160-160.200112.8Q335 K341Q335-E339 WeakPolarHBondContact O-CB 3.43Å; Q335-E339 VanDerWaalsContact O-CG 3.29Å; Q335-E339 WeakPolarHBondContact O-CG 3.49Å; Q335-E339 PolarHBondContact O-N 2.98Å; E339-K341 PolarHBondContact O-N 2.71Å
340R82.8Confident87.5Confident39 Ų3948.2 Ų48.215%0.14724%0.243CC..THydrogen-bonded Turntrans-65.9-14.3173.5-62.1-175.674.487.4-4.4113.7P243 L245 D312 Y336 L338 S342P243-R340 PolarHBondContact O-NH1 3.02Å; P243-R340 PolarHBondContact O-NH2 3.4Å; L245-R340 HydrophobicContact CD1-CB 4.33Å; L245-R340 HydrophobicContact CD1-CG 3.79Å; D312-R340 IonicContact OD2-NH2 3.26Å; Y336-R340 WeakPolarHBondContact O-CG 3.31Å; Y336-R340 PolarHBondContact O-N 3.3Å; L338-R340 VanDerWaalsContact C-N 3.28Å; L338-R340 PolarHBondContact O-N 3.07Å; R340-S342 PolarHBondContact O-N 3.25Å
341K83.9Confident87.6Confident159 Ų15943.7 Ų43.769%0.69121%0.213SC*.THydrogen-bonded Turntrans49.629.9177.5-62.7170.1-172.2166.90114.7L338 E339 P343 L373L338-K341 PolarHBondContact O-N 3.04Å; E339-K341 PolarHBondContact O-N 2.71Å; K341-P343 WeakPolarHBondContact O-CD 3.42Å; K341-L373 HydrophobicContact CB-CD1 4.29Å; K341-L373 HydrophobicContact CG-CD1 4.26Å
342S79.9Confident87.7Confident35 Ų3544.2 Ų44.225%0.24522%0.216CC..  trans-109.366.3-171.861.80000113.2R340 H344 T345R340-S342 PolarHBondContact O-N 3.25Å; S342-H344 PolarHBondContact O-N 3.19Å; S342-T345 PolarHBondContact O-N 3.16Å; S342-T345 VanDerWaalsContact O-N 3.09Å; S342-T345 PolarHBondContact O-OG1 3.49Å; S342-T345 PolarHBondContact OG-OG1 3.38Å; S342-T345 VanDerWaalsContact OG-OG1 3.1Å
343P79.4Confident87.6Confident23 Ų2345.8 Ų45.815%0.14922%0.222CC..THydrogen-bonded Turntrans-67.8-1.2-174.532.1-38.3000114.4K341 K368 L373K341-P343 WeakPolarHBondContact O-CD 3.42Å; P343-K368 WeakPolarHBondContact O-CE 3.25Å; P343-K368 PolarHBondContact O-NZ 3.4Å; P343-L373 HydrophobicContact CB-CD2 4.29Å
344H83.5Confident87.5Confident153 Ų15345.8 Ų45.871%0.70822%0.222SC*.THydrogen-bonded Turntrans-97.2-21.4175.6-64-80.4000113.4P315 S342P315-H344 WeakPolarHBondContact CD-O 3.38Å; P315-H344 WeakPolarHBondContact CG-O 3.17Å; S342-H344 PolarHBondContact O-N 3.19Å
345T88.1Confident87.2Confident41 Ų4146.2 Ų46.225%0.25223%0.227SC..  trans-87.8161.7172.968.80000111.1D312 S342D312-T345 HydrophobicContact CB-CG2 3.97Å; D312-T345 VanDerWaalsContact OD1-CB 3.27Å; D312-T345 WeakPolarHBondContact OD1-CB 3.48Å; D312-T345 PolarHBondContact OD1-OG1 3.2Å; S342-T345 PolarHBondContact O-N 3.16Å; S342-T345 VanDerWaalsContact O-N 3.09Å; S342-T345 PolarHBondContact O-OG1 3.49Å; S342-T345 PolarHBondContact OG-OG1 3.38Å; S342-T345 VanDerWaalsContact OG-OG1 3.1Å
346C90.3Very high86.7Confident2 Ų246.9 Ų46.91%0.01423%0.228CC..EExtended strand (participates in β ladder)trans-145.1154.2170.670.60000111A313 P315 Y366 L367 K368A313-C346 PolarHBondContact N-O 3.4Å; A313-C346 PolarHBondContact O-N 2.71Å; A313-C346 PolarHBondContact O-SG 2.88Å; P315-C346 HydrophobicContact CB-CB 4.21Å; C346-Y366 HydrophobicContact CB-CD2 3.62Å; C346-Y366 HydrophobicContact CB-CE2 4.32Å; C346-Y366 HydrophobicContact CB-CG 4Å; C346-L367 WeakPolarHBondContact CA-O 3.49Å; C346-L367 WeakPolarHBondContact CB-O 3.38Å; C346-K368 HydrophobicContact CB-CB 4.04Å; C346-K368 HydrophobicContact CB-CG 4.29Å
347W92Very high86.1Confident9 Ų953.9 Ų53.93%0.03426%0.255CS..EExtended strand (participates in β ladder)trans-109.2121.4-179.8-69.4-11000109.7P242 F308 S309 D312 L333 Y336 I337 Y366 L367P242-W347 HydrophobicContact CG-CZ2 4.48Å; F308-W347 HydrophobicContact CD2-CE3 4.08Å; F308-W347 HydrophobicContact CE2-CE3 4.15Å; F308-W347 HydrophobicContact CE2-CZ3 4.27Å; S309-W347 VanDerWaalsContact O-CB 3.32Å; S309-W347 WeakPolarHBondContact O-CB 3.33Å; D312-W347 PolarHBondContact OD1-NE1 2.68Å; L333-W347 HydrophobicContact CD1-CZ3 4.45Å; Y336-W347 AromaticContact CD1-CH2 3.89Å; Y336-W347 HydrophobicContact CD1-CH2 3.89Å; Y336-W347 HydrophobicContact CD1-CZ3 4.34Å; Y336-W347 AromaticContact CE1-CH2 3.8Å; Y336-W347 HydrophobicContact CE1-CH2 3.8Å; I337-W347 HydrophobicContact CD1-CE3 3.98Å; I337-W347 HydrophobicContact CD1-CZ3 3.96Å; I337-W347 HydrophobicContact CG1-CE3 3.86Å; I337-W347 HydrophobicContact CG1-CH2 3.97Å; I337-W347 HydrophobicContact CG1-CZ3 3.43Å; I337-W347 VanDerWaalsContact CG1-CZ3 3.43Å; W347-Y366 CarbonylContact O-C 3.52Å; W347-Y366 WeakPolarHBondContact O-CA 3.39Å; W347-Y366 WeakPolarHBondContact O-CB 3.18Å; W347-L367 PolarHBondContact N-O 3.28Å; W347-L367 PolarHBondContact O-N 2.78Å
348Q92.6Very high85.7Confident50 Ų5055.1 Ų55.123%0.23427%0.265CS..EExtended strand (participates in β ladder)trans-68.6143.5-175-66.5-171.2-15.700111.8F308 S309 A313 F350 P363 Y385F308-Q348 WeakPolarHBondContact CA-O 3.44Å; S309-Q348 PolarHBondContact N-O 3.45Å; S309-Q348 VanDerWaalsContact N-O 3.07Å; A313-Q348 HydrophobicContact CB-CG 4.18Å; Q348-F350 HydrophobicContact CB-CE2 3.66Å; Q348-F350 HydrophobicContact CB-CZ 3.61Å; Q348-F350 VanDerWaalsContact O-CE2 3.25Å; Q348-F350 WeakPolarHBondContact O-CE2 3.5Å; Q348-P363 HydrophobicContact CB-CB 4.32Å; Q348-Y385 PolarHBondContact NE2-OH 3.32Å
349V93.4Very high85.1Confident0 Ų059.9 Ų59.90%029%0.29CS..EExtended strand (participates in β ladder)trans-115.9143175.3-59.30000113.5V306 R307 F308 P363 F364 G365 L367 L378V306-V349 HydrophobicContact CG1-CB 3.74Å; V306-V349 HydrophobicContact CG1-CG1 4.11Å; V306-V349 HydrophobicContact CG1-CG2 4.3Å; R307-V349 CarbonylContact O-C 3.45Å; R307-V349 VanDerWaalsContact O-CA 3.26Å; R307-V349 WeakPolarHBondContact O-CA 3.49Å; F308-V349 HydrophobicContact CB-CG1 3.95Å; V349-P363 VanDerWaalsContact O-CA 3.31Å; V349-P363 WeakPolarHBondContact O-CA 3.46Å; V349-F364 HydrophobicContact CB-CE1 4.03Å; V349-F364 HydrophobicContact CB-CZ 4.36Å; V349-F364 HydrophobicContact CG2-CD1 4.14Å; V349-F364 HydrophobicContact CG2-CE1 3.61Å; V349-F364 HydrophobicContact CG2-CE2 4.2Å; V349-F364 HydrophobicContact CG2-CZ 3.64Å; V349-F364 VanDerWaalsContact O-CD1 3.23Å; V349-F364 WeakPolarHBondContact O-CD1 3.23Å; V349-F364 PolarHBondContact O-N 3.4Å; V349-G365 VanDerWaalsContact CG2-C 3.47Å; V349-G365 WeakPolarHBondContact CG2-O 3.4Å; V349-G365 PolarHBondContact N-O 3.26Å; V349-L367 HydrophobicContact CG1-CD1 4.35Å; V349-L367 HydrophobicContact CG1-CG 3.95Å; V349-L378 HydrophobicContact CG1-CD1 4.36Å; V349-L378 HydrophobicContact CG2-CD1 3.77Å
350F92.8Very high84.6Confident21 Ų2157.6 Ų57.69%0.09228%0.282CS..EExtended strand (participates in β ladder)trans-134.2165.3-168.7-50.1-96.2000110R307 Q348 L360 P363R307-F350 HydrophobicContact CB-CB 4.44Å; R307-F350 PolarHBondContact N-O 2.92Å; R307-F350 PolarHBondContact O-N 2.85Å; Q348-F350 HydrophobicContact CB-CE2 3.66Å; Q348-F350 HydrophobicContact CB-CZ 3.61Å; Q348-F350 VanDerWaalsContact O-CE2 3.25Å; Q348-F350 WeakPolarHBondContact O-CE2 3.5Å; F350-L360 WeakPolarHBondContact CB-O 3.48Å; F350-P363 HydrophobicContact CD1-CB 4.14Å; F350-P363 HydrophobicContact CE1-CB 3.74Å; F350-P363 HydrophobicContact CE1-CG 4.14Å; F350-P363 HydrophobicContact CZ-CB 4.24Å
351V91.7Very high84.6Confident3 Ų356 Ų562%0.01828%0.277CS..EExtended strand (participates in β ladder)trans-131.5125.4170178.70000108.2I284 P285 A287 S354 F364I284-V351 HydrophobicContact CG2-CG2 4.3Å; P285-V351 HydrophobicContact CB-CB 4.16Å; P285-V351 HydrophobicContact CB-CG2 4.12Å; P285-V351 HydrophobicContact CG-CB 4.42Å; P285-V351 HydrophobicContact CG-CG2 4.03Å; A287-V351 HydrophobicContact CB-CG1 4Å; V351-S354 WeakPolarHBondContact O-CB 3.45Å; V351-S354 PolarHBondContact O-N 2.99Å; V351-S354 PolarHBondContact O-OG 2.97Å; V351-F364 HydrophobicContact CG2-CD1 4.05Å; V351-F364 HydrophobicContact CG2-CE1 3.6Å; V351-F364 HydrophobicContact CG2-CZ 4.18Å
352S87Confident84.8Confident14 Ų1451.4 Ų51.410%0.09826%0.258CS..THydrogen-bonded Turntrans-54.6142.6177.7-56.20000111.5A287 R307 S354 D359A287-S352 VanDerWaalsContact CA-O 3.3Å; A287-S352 WeakPolarHBondContact CA-O 3.48Å; R307-S352 WeakPolarHBondContact CD-OG 3.29Å; R307-S352 PolarHBondContact NE-OG 3.37Å; R307-S352 PolarHBondContact NH1-OG 3.37Å; R307-S352 VanDerWaalsContact NH1-OG 3.08Å; S352-S354 PolarHBondContact O-N 3.2Å; S352-D359 CarbonylContact C-O 3.53Å; S352-D359 VanDerWaalsContact CA-O 3.31Å; S352-D359 WeakPolarHBondContact CA-O 3.35Å
353N85.7Confident85.4Confident85 Ų8550.1 Ų50.146%0.45525%0.249SC..THydrogen-bonded Turntrans59.113.5176.9-43.7-36.9000115.2F288 W289 A355 D359F288-N353 CarbonylContact C-O 3.52Å; F288-N353 WeakPolarHBondContact CA-O 3.49Å; W289-N353 PolarHBondContact N-O 3.49Å; N353-A355 PolarHBondContact O-N 3.33Å; N353-D359 PolarHBondContact N-O 2.81Å
354S85.8Confident86.1Confident0 Ų049 Ų490%024%0.242CC..  trans-75.4-11.517874.50000113.6E286 V351 S352 G361 Y383E286-S354 WeakPolarHBondContact O-CA 3.49Å; E286-S354 WeakPolarHBondContact O-CB 3.34Å; V351-S354 WeakPolarHBondContact O-CB 3.45Å; V351-S354 PolarHBondContact O-N 2.99Å; V351-S354 PolarHBondContact O-OG 2.97Å; S352-S354 PolarHBondContact O-N 3.2Å; S354-G361 WeakPolarHBondContact OG-CA 3.5Å; S354-Y383 VanDerWaalsContact C-OH 3.26Å; S354-Y383 PolarHBondContact O-OH 2.78Å; S354-Y383 VanDerWaalsContact O-OH 3.05Å; S354-Y383 WeakPolarHBondContact OG-CE2 3.28Å; S354-Y383 PolarHBondContact OG-OH 3.3Å
355A83.1Confident86.6Confident16 Ų1641.8 Ų41.813%0.13221%0.208CC..BIsolated β-bridgetrans-114.6141.5-179.800000111.2N353 Y357 Q362 Y383N353-A355 PolarHBondContact O-N 3.33Å; A355-Y357 PolarHBondContact O-N 3.2Å; A355-Y357 VanDerWaalsContact O-N 3.14Å; A355-Q362 HydrophobicContact CB-CG 4.41Å; A355-Y383 WeakPolarHBondContact CB-OH 3.49Å; A355-Y383 PolarHBondContact N-OH 3.3Å
356K76.3Confident86.8Confident122 Ų12239.9 Ų39.953%0.5320%0.196SC..THydrogen-bonded Turntrans-62.8-19.6180-169.2176.5176.3-163.90115W289W289-K356 HydrophobicContact CD2-CB 3.78Å; W289-K356 HydrophobicContact CE3-CB 3.96Å; W289-K356 HydrophobicContact CG-CB 4.18Å; W289-K356 HydrophobicContact CH2-CB 4.46Å; W289-K356 HydrophobicContact CZ2-CB 4.34Å; W289-K356 HydrophobicContact CZ3-CB 4.3Å
357Y76.6Confident87Confident196 Ų19639.9 Ų39.977%0.76920%0.196SC*.THydrogen-bonded Turntrans-138.422-172-53.7-75.6000113.1A355A355-Y357 PolarHBondContact O-N 3.2Å; A355-Y357 VanDerWaalsContact O-N 3.14Å
358S78.3Confident87Confident39 Ų3941.4 Ų41.427%0.27320%0.203SC..BIsolated β-bridgetrans-153.9119.2179.9167.80000110.6L360 G361S358-L360 VanDerWaalsContact C-N 3.28Å; S358-L360 PolarHBondContact O-N 2.76Å; S358-G361 PolarHBondContact O-N 3.03Å; S358-G361 VanDerWaalsContact O-N 3.09Å; S358-G361 PolarHBondContact OG-N 2.87Å; S358-G361 PolarHBondContact OG-O 2.91Å
359D75.2Confident86.9Confident135 Ų13539.3 Ų39.372%0.72220%0.195SC*.THydrogen-bonded Turntrans-66.8-30-176.5-48.9-47.1000112.4S352 N353 G361S352-D359 CarbonylContact C-O 3.53Å; S352-D359 VanDerWaalsContact CA-O 3.31Å; S352-D359 WeakPolarHBondContact CA-O 3.35Å; N353-D359 PolarHBondContact N-O 2.81Å; D359-G361 VanDerWaalsContact C-N 3.32Å
360L77.4Confident86.8Confident68 Ų6840.3 Ų40.336%0.35620%0.201SC..THydrogen-bonded Turntrans-80.4-13.3176.4-163.266.8000112.8T238 F350 S358T238-L360 HydrophobicContact CG2-CD1 4.12Å; F350-L360 WeakPolarHBondContact CB-O 3.48Å; S358-L360 VanDerWaalsContact C-N 3.28Å; S358-L360 PolarHBondContact O-N 2.76Å
361G83.8Confident86.6Confident4 Ų445 Ų454%0.04123%0.232CC..  trans83.5-145.4-173.400000113.5S354 S358 D359S354-G361 WeakPolarHBondContact OG-CA 3.5Å; S358-G361 PolarHBondContact O-N 3.03Å; S358-G361 VanDerWaalsContact O-N 3.09Å; S358-G361 PolarHBondContact OG-N 2.87Å; S358-G361 PolarHBondContact OG-O 2.91Å; D359-G361 VanDerWaalsContact C-N 3.32Å
362Q88.7Confident86.4Confident63 Ų6348.5 Ų48.529%0.29426%0.261SS..  trans-141.3156.6175.3-70.7-69.1-34.400109.5A355 F364 Y383 N384A355-Q362 HydrophobicContact CB-CG 4.41Å; Q362-F364 PolarHBondContact O-N 3.25Å; Q362-Y383 HydrophobicContact CB-CD1 4.45Å; Q362-Y383 HydrophobicContact CB-CE1 3.74Å; Q362-Y383 HydrophobicContact CB-CE2 4.2Å; Q362-Y383 HydrophobicContact CG-CE1 4.05Å; Q362-N384 HydrophobicContact CB-CB 4.11Å; Q362-N384 HydrophobicContact CG-CB 4.48Å
363P92.4Very high86.3Confident9 Ų950.8 Ų50.86%0.05827%0.272CS..  trans-70.8126-176.227.5-32.7000111.4Q348 V349 F350 N384 Y385 P386Q348-P363 HydrophobicContact CB-CB 4.32Å; V349-P363 VanDerWaalsContact O-CA 3.31Å; V349-P363 WeakPolarHBondContact O-CA 3.46Å; F350-P363 HydrophobicContact CD1-CB 4.14Å; F350-P363 HydrophobicContact CE1-CB 3.74Å; F350-P363 HydrophobicContact CE1-CG 4.14Å; F350-P363 HydrophobicContact CZ-CB 4.24Å; P363-N384 VanDerWaalsContact O-CA 3.27Å; P363-N384 WeakPolarHBondContact O-CA 3.43Å; P363-N384 PolarHBondContact O-N 3.2Å; P363-Y385 HydrophobicContact CB-CE1 4.1Å; P363-P386 HydrophobicContact CG-CG 3.89Å
364F93.3Very high86.5Confident0 Ų051.7 Ų51.70%028%0.277CS..  trans-112.62.4-179.577.5-82.4000113I284 P285 V306 V349 V351 Q362 V380 M381 Y383I284-F364 HydrophobicContact CB-CE2 4.37Å; I284-F364 HydrophobicContact CG1-CE2 4.1Å; I284-F364 HydrophobicContact CG2-CE2 3.98Å; I284-F364 HydrophobicContact CG2-CZ 4.06Å; P285-F364 HydrophobicContact CG-CB 3.88Å; P285-F364 HydrophobicContact CG-CD1 4.05Å; P285-F364 HydrophobicContact CG-CD2 4.29Å; P285-F364 HydrophobicContact CG-CG 3.8Å; V306-F364 HydrophobicContact CG1-CE1 4.08Å; V306-F364 HydrophobicContact CG1-CZ 3.93Å; V306-F364 HydrophobicContact CG2-CZ 4.07Å; V349-F364 HydrophobicContact CB-CE1 4.03Å; V349-F364 HydrophobicContact CB-CZ 4.36Å; V349-F364 HydrophobicContact CG2-CD1 4.14Å; V349-F364 HydrophobicContact CG2-CE1 3.61Å; V349-F364 HydrophobicContact CG2-CE2 4.2Å; V349-F364 HydrophobicContact CG2-CZ 3.64Å; V349-F364 VanDerWaalsContact O-CD1 3.23Å; V349-F364 WeakPolarHBondContact O-CD1 3.23Å; V349-F364 PolarHBondContact O-N 3.4Å; V351-F364 HydrophobicContact CG2-CD1 4.05Å; V351-F364 HydrophobicContact CG2-CE1 3.6Å; V351-F364 HydrophobicContact CG2-CZ 4.18Å; Q362-F364 PolarHBondContact O-N 3.25Å; F364-V380 HydrophobicContact CD2-CG1 4.11Å; F364-V380 HydrophobicContact CE2-CG1 4.35Å; F364-M381 CarbonylContact O-C 3.53Å; F364-M381 PolarHBondContact O-N 2.84Å; F364-M381 VanDerWaalsContact O-O 3.11Å; F364-Y383 HydrophobicContact CB-CD2 4.2Å
365G93.4Very high86.7Confident0 Ų052.4 Ų52.40%028%0.282CS..EExtended strand (participates in β ladder)trans172.9-170-177.800000111.7V349 F379V349-G365 VanDerWaalsContact CG2-C 3.47Å; V349-G365 WeakPolarHBondContact CG2-O 3.4Å; V349-G365 PolarHBondContact N-O 3.26Å; G365-F379 CarbonylContact C-O 3.59Å; G365-F379 WeakPolarHBondContact CA-O 3.38Å
366Y93.9Very high87.1Confident1 Ų151.7 Ų51.70%0.00428%0.276CS..EExtended strand (participates in β ladder)trans-151.5150.9175.450.1-97.1000112.9P315 M316 V317 C346 W347 K368 F379 M381 Y385P315-Y366 HydrophobicContact CB-CE2 3.87Å; M316-Y366 PolarHBondContact O-OH 2.89Å; V317-Y366 VanDerWaalsContact CG2-OH 3.29Å; V317-Y366 WeakPolarHBondContact CG2-OH 3.45Å; C346-Y366 HydrophobicContact CB-CD2 3.62Å; C346-Y366 HydrophobicContact CB-CE2 4.32Å; C346-Y366 HydrophobicContact CB-CG 4Å; W347-Y366 CarbonylContact O-C 3.52Å; W347-Y366 WeakPolarHBondContact O-CA 3.39Å; W347-Y366 WeakPolarHBondContact O-CB 3.18Å; Y366-K368 HydrophobicContact CD2-CB 4.03Å; Y366-K368 HydrophobicContact CE2-CB 4.25Å; Y366-K368 HydrophobicContact CE2-CD 4.25Å; Y366-F379 HydrophobicContact CD2-CB 3.88Å; Y366-F379 HydrophobicContact CD2-CD2 4.05Å; Y366-F379 HydrophobicContact CD2-CG 4.22Å; Y366-F379 HydrophobicContact CE1-CB 4.4Å; Y366-F379 HydrophobicContact CE2-CB 3.61Å; Y366-F379 HydrophobicContact CE2-CD1 4.42Å; Y366-F379 AromaticContact CE2-CD2 3.7Å; Y366-F379 HydrophobicContact CE2-CD2 3.7Å; Y366-F379 HydrophobicContact CE2-CE2 4.48Å; Y366-F379 AromaticContact CE2-CG 3.65Å; Y366-F379 HydrophobicContact CE2-CG 3.65Å; Y366-F379 HydrophobicContact CG-CB 4.41Å; Y366-F379 PolarHBondContact N-O 3.43Å; Y366-F379 PolarHBondContact O-N 2.93Å; Y366-M381 HydrophobicContact CD1-CG 4.37Å; Y366-M381 HydrophobicContact CE1-CG 4.03Å; Y366-M381 HydrophobicContact CE1-SD 4.43Å; Y366-Y385 HydrophobicContact CD1-CE1 4.07Å; Y366-Y385 HydrophobicContact CD1-CE2 4.26Å; Y366-Y385 AromaticContact CD1-CZ 3.67Å; Y366-Y385 WeakPolarHBondContact CD1-OH 3.31Å; Y366-Y385 HydrophobicContact CE1-CE2 4.3Å
367L92.8Very high87.9Confident3 Ų346.2 Ų46.22%0.01625%0.252CS..EExtended strand (participates in β ladder)trans-84.6132.2165.8-67.7174.6000109.2F235 F308 L328 L333 I337 C346 W347 V349 V376 L378F235-L367 HydrophobicContact CD1-CD1 4.2Å; F235-L367 HydrophobicContact CE1-CD1 4.14Å; F235-L367 HydrophobicContact CE1-CD2 3.96Å; F235-L367 HydrophobicContact CE1-CG 4.38Å; F235-L367 HydrophobicContact CZ-CD2 4.23Å; F308-L367 HydrophobicContact CB-CD1 4.34Å; F308-L367 HydrophobicContact CG-CD1 4.44Å; L328-L367 HydrophobicContact CD1-CD2 3.84Å; L333-L367 HydrophobicContact CD2-CD1 4.18Å; I337-L367 HydrophobicContact CD1-CB 4.48Å; I337-L367 HydrophobicContact CD1-CD1 4.31Å; C346-L367 WeakPolarHBondContact CA-O 3.49Å; C346-L367 WeakPolarHBondContact CB-O 3.38Å; W347-L367 PolarHBondContact N-O 3.28Å; W347-L367 PolarHBondContact O-N 2.78Å; V349-L367 HydrophobicContact CG1-CD1 4.35Å; V349-L367 HydrophobicContact CG1-CG 3.95Å; L367-V376 HydrophobicContact CB-CG1 4.41Å; L367-V376 HydrophobicContact CD2-CG1 4.43Å; L367-L378 HydrophobicContact CD2-CB 4.08Å; L367-L378 HydrophobicContact CD2-CD1 4.04Å
368K92.2Very high88.6Confident40 Ų4036.9 Ų36.917%0.17422%0.216CC..EExtended strand (participates in β ladder)trans-144.8136.7178.5-174.5-179.1-178.6-179.40111.3P315 P343 C346 Y366 N377 F379P315-K368 HydrophobicContact CB-CD 3.89Å; P315-K368 HydrophobicContact CG-CD 4.19Å; P315-K368 VanDerWaalsContact CG-NZ 3.34Å; P343-K368 WeakPolarHBondContact O-CE 3.25Å; P343-K368 PolarHBondContact O-NZ 3.4Å; C346-K368 HydrophobicContact CB-CB 4.04Å; C346-K368 HydrophobicContact CB-CG 4.29Å; Y366-K368 HydrophobicContact CD2-CB 4.03Å; Y366-K368 HydrophobicContact CE2-CB 4.25Å; Y366-K368 HydrophobicContact CE2-CD 4.25Å; K368-N377 PolarHBondContact N-O 2.95Å; K368-N377 PolarHBondContact O-N 2.96Å; K368-F379 HydrophobicContact CB-CD2 4.04Å; K368-F379 HydrophobicContact CB-CE2 3.93Å; K368-F379 HydrophobicContact CD-CE2 4.32Å
369A91.6Very high89.3Confident7 Ų736.3 Ų36.36%0.05821%0.208CC..EExtended strand (participates in β ladder)trans-63.2144.917200000111.6I337 L338 L373I337-A369 HydrophobicContact CG2-CB 4.27Å; L338-A369 HydrophobicContact CD2-CB 3.95Å; A369-L373 HydrophobicContact CB-CD2 4.02Å
370S90.5Very high90.2Very high20 Ų2029.9 Ų29.914%0.1417%0.174CC..  trans-59145.8165.4-179.60000110.1A372 L373 N374 C375S370-A372 PolarHBondContact O-N 2.76Å; S370-A372 PolarHBondContact OG-N 3.4Å; S370-L373 WeakPolarHBondContact O-CA 3.32Å; S370-L373 PolarHBondContact O-N 2.74Å; S370-N374 WeakPolarHBondContact CB-OD1 3.2Å; S370-N374 PolarHBondContact OG-OD1 3.31Å; S370-C375 WeakPolarHBondContact CB-O 3.34Å; S370-C375 PolarHBondContact N-O 3.15Å
371T88Confident90.9Very high121 Ų12126.8 Ų26.874%0.74216%0.157SC*.THydrogen-bonded Turntrans-63.2-21.8173.946.60000112.8L373T371-L373 VanDerWaalsContact C-N 3.33Å
372A87.8Confident91.2Very high75 Ų7526.6 Ų26.662%0.6216%0.155SC*.THydrogen-bonded Turntrans-89.15.517200000113.6S370 N374S370-A372 PolarHBondContact O-N 2.76Å; S370-A372 PolarHBondContact OG-N 3.4Å; A372-N374 PolarHBondContact O-N 2.85Å
373L86.5Confident91.4Very high63 Ų6323.6 Ų23.633%0.3314%0.141SC..SBendtrans49.824.4-178.2-60.6177.4000115.2L338 K341 P343 A369 S370 T371L338-L373 HydrophobicContact CD2-CB 4.26Å; L338-L373 HydrophobicContact CD2-CD2 4.19Å; L338-L373 WeakPolarHBondContact CD2-O 3.4Å; K341-L373 HydrophobicContact CB-CD1 4.29Å; K341-L373 HydrophobicContact CG-CD1 4.26Å; P343-L373 HydrophobicContact CB-CD2 4.29Å; A369-L373 HydrophobicContact CB-CD2 4.02Å; S370-L373 WeakPolarHBondContact O-CA 3.32Å; S370-L373 PolarHBondContact O-N 2.74Å; T371-L373 VanDerWaalsContact C-N 3.33Å
374N88.9Confident91.3Very high104 Ų10423.9 Ų23.956%0.55614%0.143SC*.SBendtrans-91.1-23.9-176.371.5-61.8000113.8S370 A372S370-N374 WeakPolarHBondContact CB-OD1 3.2Å; S370-N374 PolarHBondContact OG-OD1 3.31Å; A372-N374 PolarHBondContact O-N 2.85Å
375C89.6Confident91.2Very high15 Ų1523.9 Ų23.910%0.10114%0.143CC..  trans-157.2160.7179.863.20000111.1E327 S370 N377E327-C375 HydrophobicContact CG-CB 4.07Å; E327-C375 PolarHBondContact OE1-SG 2.76Å; S370-C375 WeakPolarHBondContact CB-O 3.34Å; S370-C375 PolarHBondContact N-O 3.15Å; C375-N377 PolarHBondContact SG-ND2 2.85Å
376V91.9Very high91.1Very high1 Ų125.8 Ų25.81%0.00616%0.155CC..EExtended strand (participates in β ladder)trans-100.2143.7169.4-179.10000108.9L328 T334 I337 L338 L367L328-V376 WeakPolarHBondContact CB-O 3.37Å; L328-V376 PolarHBondContact N-O 3.28Å; T334-V376 HydrophobicContact CG2-CB 3.83Å; T334-V376 HydrophobicContact CG2-CG2 3.95Å; I337-V376 HydrophobicContact CB-CG2 3.92Å; I337-V376 HydrophobicContact CD1-CG1 4.11Å; I337-V376 HydrophobicContact CG2-CG1 4.23Å; I337-V376 HydrophobicContact CG2-CG2 3.62Å; L338-V376 HydrophobicContact CD2-CG2 4.18Å; L338-V376 HydrophobicContact CG-CG2 3.99Å; L367-V376 HydrophobicContact CB-CG1 4.41Å; L367-V376 HydrophobicContact CD2-CG1 4.43Å
377N92.4Very high91Very high6 Ų629 Ų293%0.03218%0.175CC..EExtended strand (participates in β ladder)trans-122.7136.3-177.7-62.5-100.6000109.7K325 Y326 K368 C375 F379K325-N377 WeakPolarHBondContact CE-OD1 3.49Å; K325-N377 HydrophobicContact CG-CB 4.23Å; Y326-N377 CarbonylContact O-C 3.48Å; Y326-N377 VanDerWaalsContact O-CA 3.23Å; Y326-N377 WeakPolarHBondContact O-CA 3.47Å; K368-N377 PolarHBondContact N-O 2.95Å; K368-N377 PolarHBondContact O-N 2.96Å; C375-N377 PolarHBondContact SG-ND2 2.85Å; N377-F379 HydrophobicContact CB-CD2 4.25Å; N377-F379 HydrophobicContact CB-CE2 3.75Å; N377-F379 HydrophobicContact CB-CZ 4.43Å
378L93.1Very high90.8Very high1 Ų128.9 Ų28.91%0.00517%0.174CC..EExtended strand (participates in β ladder)trans-86.5118.1165176.863.1000108.1I267 Y326 V349 L367 V380I267-L378 HydrophobicContact CD1-CD2 3.64Å; Y326-L378 PolarHBondContact N-O 3.2Å; Y326-L378 PolarHBondContact O-N 2.83Å; V349-L378 HydrophobicContact CG1-CD1 4.36Å; V349-L378 HydrophobicContact CG2-CD1 3.77Å; L367-L378 HydrophobicContact CD2-CB 4.08Å; L367-L378 HydrophobicContact CD2-CD1 4.04Å; L378-V380 HydrophobicContact CD2-CG2 3.87Å; L378-V380 HydrophobicContact CG-CG2 3.86Å
379F92.5Very high90.7Very high27 Ų2727 Ų2712%0.11817%0.166CC..EExtended strand (participates in β ladder)trans-94.7111.1169.2-70.7-97.9000108.1F323 D324 K325 G365 Y366 K368 N377F323-F379 AromaticContact CD2-CD1 3.87Å; F323-F379 HydrophobicContact CD2-CD1 3.87Å; F323-F379 HydrophobicContact CD2-CE1 4.28Å; F323-F379 AromaticContact CE2-CD1 3.93Å; F323-F379 HydrophobicContact CE2-CD1 3.93Å; F323-F379 AromaticContact CE2-CE1 3.86Å; F323-F379 HydrophobicContact CE2-CE1 3.86Å; D324-F379 WeakPolarHBondContact O-CA 3.28Å; K325-F379 HydrophobicContact CB-CD1 4.33Å; K325-F379 HydrophobicContact CB-CE1 4.17Å; K325-F379 HydrophobicContact CD-CE1 4.04Å; K325-F379 HydrophobicContact CD-CZ 3.97Å; K325-F379 HydrophobicContact CG-CD1 4.4Å; K325-F379 HydrophobicContact CG-CE1 3.94Å; K325-F379 HydrophobicContact CG-CZ 4.04Å; G365-F379 CarbonylContact C-O 3.59Å; G365-F379 WeakPolarHBondContact CA-O 3.38Å; Y366-F379 HydrophobicContact CD2-CB 3.88Å; Y366-F379 HydrophobicContact CD2-CD2 4.05Å; Y366-F379 HydrophobicContact CD2-CG 4.22Å; Y366-F379 HydrophobicContact CE1-CB 4.4Å; Y366-F379 HydrophobicContact CE2-CB 3.61Å; Y366-F379 HydrophobicContact CE2-CD1 4.42Å; Y366-F379 AromaticContact CE2-CD2 3.7Å; Y366-F379 HydrophobicContact CE2-CD2 3.7Å; Y366-F379 HydrophobicContact CE2-CE2 4.48Å; Y366-F379 AromaticContact CE2-CG 3.65Å; Y366-F379 HydrophobicContact CE2-CG 3.65Å; Y366-F379 HydrophobicContact CG-CB 4.41Å; Y366-F379 PolarHBondContact N-O 3.43Å; Y366-F379 PolarHBondContact O-N 2.93Å; K368-F379 HydrophobicContact CB-CD2 4.04Å; K368-F379 HydrophobicContact CB-CE2 3.93Å; K368-F379 HydrophobicContact CD-CE2 4.32Å; N377-F379 HydrophobicContact CB-CD2 4.25Å; N377-F379 HydrophobicContact CB-CE2 3.75Å; N377-F379 HydrophobicContact CB-CZ 4.43Å
380V93.1Very high90.6Very high0 Ų029.3 Ų29.30%018%0.18CC..EExtended strand (participates in β ladder)trans-93125.5175.3-173.60000108.7W282 D324 Y326 F364 L378W282-V380 HydrophobicContact CB-CG1 3.9Å; D324-V380 HydrophobicContact CB-CB 4.3Å; D324-V380 PolarHBondContact N-O 2.84Å; D324-V380 PolarHBondContact O-N 3.48Å; Y326-V380 HydrophobicContact CD2-CG2 3.85Å; Y326-V380 HydrophobicContact CE2-CB 4.23Å; Y326-V380 HydrophobicContact CE2-CG2 3.74Å; F364-V380 HydrophobicContact CD2-CG1 4.11Å; F364-V380 HydrophobicContact CE2-CG1 4.35Å; L378-V380 HydrophobicContact CD2-CG2 3.87Å; L378-V380 HydrophobicContact CG-CG2 3.86Å
381M91.9Very high90.5Very high2 Ų229.5 Ų29.51%0.0118%0.179CC..  trans-121.9176.6-167.8-63.1-60.6-71.900109.3F323 F364 Y366 Y385 L389F323-M381 HydrophobicContact CB-CE 4.42Å; F323-M381 HydrophobicContact CB-SD 3.5Å; F323-M381 VanDerWaalsContact CB-SD 3.5Å; F323-M381 HydrophobicContact CG-SD 4.37Å; F364-M381 CarbonylContact O-C 3.53Å; F364-M381 PolarHBondContact O-N 2.84Å; F364-M381 VanDerWaalsContact O-O 3.11Å; Y366-M381 HydrophobicContact CD1-CG 4.37Å; Y366-M381 HydrophobicContact CE1-CG 4.03Å; Y366-M381 HydrophobicContact CE1-SD 4.43Å; M381-Y385 HydrophobicContact CB-CD1 3.83Å; M381-Y385 HydrophobicContact CB-CG 3.94Å; M381-Y385 HydrophobicContact CG-CD1 4.26Å; M381-Y385 HydrophobicContact CG-CG 4.37Å; M381-L389 HydrophobicContact CE-CD1 3.77Å; M381-L389 HydrophobicContact CE-CD2 4.46Å
382P91.5Very high90.4Very high0 Ų023.9 Ų23.90%015%0.145CC..  trans-55.4150.3165-22.131.6000112W282 V321 N384 Y385 L388W282-P382 HydrophobicContact CD2-CG 4.47Å; W282-P382 HydrophobicContact CH2-CB 4.15Å; W282-P382 HydrophobicContact CH2-CG 3.89Å; W282-P382 HydrophobicContact CZ2-CB 4.34Å; W282-P382 HydrophobicContact CZ2-CG 3.63Å; W282-P382 HydrophobicContact CZ3-CB 4.24Å; W282-P382 HydrophobicContact CZ3-CG 4.41Å; V321-P382 HydrophobicContact CG1-CG 4.45Å; P382-N384 PolarHBondContact O-N 3Å; P382-Y385 WeakPolarHBondContact O-CB 3.48Å; P382-Y385 PolarHBondContact O-N 3.2Å; P382-Y385 VanDerWaalsContact O-N 3.17Å; P382-L388 HydrophobicContact CB-CD2 3.5Å; P382-L388 VanDerWaalsContact CB-CD2 3.5Å; P382-L388 HydrophobicContact CG-CD2 3.84Å
383Y91.7Very high90.3Very high0 Ų022.3 Ų22.30%013%0.126CC..THydrogen-bonded Turntrans-62.3129.1172.3-172.2-96.6000110.9P285 S354 A355 Q362 F364 Y414 M418 P419 Y422P285-Y383 HydrophobicContact CB-CD2 4.46Å; P285-Y383 HydrophobicContact CB-CE2 4.28Å; P285-Y383 HydrophobicContact CG-CD2 3.8Å; P285-Y383 HydrophobicContact CG-CE2 3.94Å; S354-Y383 VanDerWaalsContact C-OH 3.26Å; S354-Y383 PolarHBondContact O-OH 2.78Å; S354-Y383 VanDerWaalsContact O-OH 3.05Å; S354-Y383 WeakPolarHBondContact OG-CE2 3.28Å; S354-Y383 PolarHBondContact OG-OH 3.3Å; A355-Y383 WeakPolarHBondContact CB-OH 3.49Å; A355-Y383 PolarHBondContact N-OH 3.3Å; Q362-Y383 HydrophobicContact CB-CD1 4.45Å; Q362-Y383 HydrophobicContact CB-CE1 3.74Å; Q362-Y383 HydrophobicContact CB-CE2 4.2Å; Q362-Y383 HydrophobicContact CG-CE1 4.05Å; F364-Y383 HydrophobicContact CB-CD2 4.2Å; Y383-Y414 WeakPolarHBondContact O-CE2 3.23Å; Y383-Y414 PolarHBondContact O-OH 2.71Å; Y383-M418 HydrophobicContact CD1-CG 4.47Å; Y383-P419 HydrophobicContact CD1-CG 4.32Å; Y383-P419 HydrophobicContact CD2-CG 4.49Å; Y383-P419 VanDerWaalsContact CE1-CD 3.46Å; Y383-P419 HydrophobicContact CE1-CG 4.13Å; Y383-P419 HydrophobicContact CE2-CG 4.32Å; Y383-P419 HydrophobicContact CG-CG 4.46Å; Y383-Y422 HydrophobicContact CD2-CE2 4.27Å; Y383-Y422 HydrophobicContact CG-CE2 4.41Å
384N91.9Very high90.3Very high16 Ų1622.9 Ų22.99%0.08613%0.13CC..THydrogen-bonded Turntrans54.650.3-170.1-165.75000112.8Q362 P363 P382 P386 V387 L388 Y414Q362-N384 HydrophobicContact CB-CB 4.11Å; Q362-N384 HydrophobicContact CG-CB 4.48Å; P363-N384 VanDerWaalsContact O-CA 3.27Å; P363-N384 WeakPolarHBondContact O-CA 3.43Å; P363-N384 PolarHBondContact O-N 3.2Å; P382-N384 PolarHBondContact O-N 3Å; N384-P386 VanDerWaalsContact C-N 3.32Å; N384-V387 PolarHBondContact O-N 3.42Å; N384-V387 WeakPolarHBondContact OD1-CG2 3.47Å; N384-L388 PolarHBondContact O-N 2.93Å; N384-Y414 HydrophobicContact CB-CE2 4.3Å
385Y91.3Very high90Very high0 Ų018 Ų180%010%0.103CC..Hα-helixtrans-54.9-32.2177.776.9-94.7000115.3M316 Q348 P363 Y366 M381 P382 V387 L388 L389M316-Y385 HydrophobicContact CB-CD2 4.37Å; M316-Y385 HydrophobicContact CB-CE2 4.17Å; M316-Y385 HydrophobicContact CG-CE2 4.28Å; M316-Y385 HydrophobicContact SD-CD2 4.21Å; M316-Y385 HydrophobicContact SD-CE2 4.01Å; Q348-Y385 PolarHBondContact NE2-OH 3.32Å; P363-Y385 HydrophobicContact CB-CE1 4.1Å; Y366-Y385 HydrophobicContact CD1-CE1 4.07Å; Y366-Y385 HydrophobicContact CD1-CE2 4.26Å; Y366-Y385 AromaticContact CD1-CZ 3.67Å; Y366-Y385 WeakPolarHBondContact CD1-OH 3.31Å; Y366-Y385 HydrophobicContact CE1-CE2 4.3Å; M381-Y385 HydrophobicContact CB-CD1 3.83Å; M381-Y385 HydrophobicContact CB-CG 3.94Å; M381-Y385 HydrophobicContact CG-CD1 4.26Å; M381-Y385 HydrophobicContact CG-CG 4.37Å; P382-Y385 WeakPolarHBondContact O-CB 3.48Å; P382-Y385 PolarHBondContact O-N 3.2Å; P382-Y385 VanDerWaalsContact O-N 3.17Å; Y385-V387 PolarHBondContact O-N 2.92Å; Y385-L388 PolarHBondContact O-N 2.87Å; Y385-L389 HydrophobicContact CD2-CD1 3.78Å; Y385-L389 HydrophobicContact CG-CD1 4.45Å; Y385-L389 WeakPolarHBondContact O-CB 3.35Å; Y385-L389 WeakPolarHBondContact O-CG 3.46Å; Y385-L389 PolarHBondContact O-N 2.69Å
386P90.9Very high89.7Confident39 Ų3918.5 Ų18.525%0.25311%0.105SC..Hα-helixtrans-64-26.6-179.7-23.636000113.6M316 P363 N384 P390M316-P386 HydrophobicContact SD-CB 4.34Å; P363-P386 HydrophobicContact CG-CG 3.89Å; N384-P386 VanDerWaalsContact C-N 3.32Å; P386-P390 WeakPolarHBondContact O-CD 3.2Å; P386-P390 WeakPolarHBondContact O-CG 3.48Å
387V90.8Very high89.3Confident69 Ų6925.1 Ų25.142%0.41813%0.133SC..Hα-helixtrans-87-40173.4177.40000111.3N384 Y385 L391 Y414N384-V387 PolarHBondContact O-N 3.42Å; N384-V387 WeakPolarHBondContact OD1-CG2 3.47Å; Y385-V387 PolarHBondContact O-N 2.92Å; V387-L391 HydrophobicContact CG1-CD1 4.24Å; V387-L391 WeakPolarHBondContact O-CG 3.47Å; V387-Y414 HydrophobicContact CG1-CD2 4.24Å
388L89.8Confident88.8Confident0 Ų029.4 Ų29.40%016%0.16CC..Hα-helixtrans-72.4-42.5-176-176.163.9000113.2P382 N384 Y385 L391 L392 F411 Y414 L426P382-L388 HydrophobicContact CB-CD2 3.5Å; P382-L388 VanDerWaalsContact CB-CD2 3.5Å; P382-L388 HydrophobicContact CG-CD2 3.84Å; N384-L388 PolarHBondContact O-N 2.93Å; Y385-L388 PolarHBondContact O-N 2.87Å; L388-L391 PolarHBondContact O-N 3.31Å; L388-L392 HydrophobicContact CD1-CD1 4.12Å; L388-L392 HydrophobicContact CD1-CD2 4.3Å; L388-L392 HydrophobicContact CD1-CG 3.97Å; L388-L392 HydrophobicContact CD2-CD1 4.04Å; L388-L392 HydrophobicContact CG-CD1 3.74Å; L388-L392 HydrophobicContact CG-CG 4.01Å; L388-L392 WeakPolarHBondContact O-CG 3.4Å; L388-L392 PolarHBondContact O-N 3.35Å; L388-F411 HydrophobicContact CD1-CD2 4.28Å; L388-F411 HydrophobicContact CD1-CE2 3.94Å; L388-Y414 HydrophobicContact CB-CD2 4.34Å; L388-Y414 HydrophobicContact CB-CE2 3.82Å; L388-Y414 HydrophobicContact CD1-CD1 4.14Å; L388-Y414 HydrophobicContact CD1-CE1 3.9Å; L388-Y414 HydrophobicContact CD1-CE2 4.45Å; L388-Y414 HydrophobicContact CD2-CE1 4.41Å; L388-Y414 HydrophobicContact CG-CE2 4.5Å; L388-L426 HydrophobicContact CD2-CD1 3.97Å
389L89.6Confident88.1Confident2 Ų231.8 Ų31.81%0.0117%0.171CC..Hα-helixtrans-62.7-45.9-173.1-66.9-179.5000112.9M316 I318 V321 M381 Y385 L391 L392 D393M316-L389 HydrophobicContact CB-CD1 3.64Å; M316-L389 HydrophobicContact CE-CB 4.41Å; I318-L389 HydrophobicContact CD1-CB 3.84Å; I318-L389 HydrophobicContact CD1-CD2 4.11Å; I318-L389 HydrophobicContact CD1-CG 4.48Å; I318-L389 VanDerWaalsContact CD1-O 3.23Å; I318-L389 WeakPolarHBondContact CD1-O 3.39Å; V321-L389 HydrophobicContact CB-CD2 4.32Å; V321-L389 HydrophobicContact CG1-CD2 4.01Å; V321-L389 HydrophobicContact CG2-CD2 4.01Å; M381-L389 HydrophobicContact CE-CD1 3.77Å; M381-L389 HydrophobicContact CE-CD2 4.46Å; Y385-L389 HydrophobicContact CD2-CD1 3.78Å; Y385-L389 HydrophobicContact CG-CD1 4.45Å; Y385-L389 WeakPolarHBondContact O-CB 3.35Å; Y385-L389 WeakPolarHBondContact O-CG 3.46Å; Y385-L389 PolarHBondContact O-N 2.69Å; L389-L391 PolarHBondContact O-N 3.28Å; L389-L392 PolarHBondContact O-N 3.1Å; L389-D393 PolarHBondContact O-N 2.86Å
390P90.2Very high87.5Confident55 Ų5538.6 Ų38.636%0.35720%0.2SC..Hα-helixtrans-59.4-42.3173.9-25.236.1000112.9M316 P386 L392 D393 D394M316-P390 HydrophobicContact CE-CG 3.86Å; P386-P390 WeakPolarHBondContact O-CD 3.2Å; P386-P390 WeakPolarHBondContact O-CG 3.48Å; P390-L392 VanDerWaalsContact C-N 3.3Å; P390-L392 PolarHBondContact O-N 3.05Å; P390-D393 PolarHBondContact O-N 3.06Å; P390-D394 PolarHBondContact O-N 2.73Å
391L86.8Confident86.7Confident23 Ų2342.1 Ų42.112%0.1222%0.216CC..Hα-helixtrans-61-39.1176.2-68.9173.4000111.8V387 L388 L389 L395 W407V387-L391 HydrophobicContact CG1-CD1 4.24Å; V387-L391 WeakPolarHBondContact O-CG 3.47Å; L388-L391 PolarHBondContact O-N 3.31Å; L389-L391 PolarHBondContact O-N 3.28Å; L391-L395 WeakPolarHBondContact O-CB 3.44Å; L391-L395 PolarHBondContact O-N 2.94Å; L391-L395 VanDerWaalsContact O-N 3.15Å; L391-W407 PolarHBondContact O-NE1 3.43Å
392L85.8Confident86.1Confident4 Ų450.1 Ų50.12%0.02125%0.25CS..Hα-helixtrans-70.7-36.9175.7-67.1179.1000112.2V321 L388 L389 P390 L395 I396 L430 M433V321-L392 HydrophobicContact CG2-CD1 4.02Å; L388-L392 HydrophobicContact CD1-CD1 4.12Å; L388-L392 HydrophobicContact CD1-CD2 4.3Å; L388-L392 HydrophobicContact CD1-CG 3.97Å; L388-L392 HydrophobicContact CD2-CD1 4.04Å; L388-L392 HydrophobicContact CG-CD1 3.74Å; L388-L392 HydrophobicContact CG-CG 4.01Å; L388-L392 WeakPolarHBondContact O-CG 3.4Å; L388-L392 PolarHBondContact O-N 3.35Å; L389-L392 PolarHBondContact O-N 3.1Å; P390-L392 VanDerWaalsContact C-N 3.3Å; P390-L392 PolarHBondContact O-N 3.05Å; L392-L395 PolarHBondContact O-N 3.4Å; L392-I396 WeakPolarHBondContact O-CD1 3.49Å; L392-I396 VanDerWaalsContact O-CG1 3.22Å; L392-I396 WeakPolarHBondContact O-CG1 3.32Å; L392-I396 PolarHBondContact O-N 2.95Å; L392-L430 HydrophobicContact CD2-CD2 3.87Å; L392-M433 HydrophobicContact CB-CE 4.15Å; L392-M433 HydrophobicContact CD1-CE 3.8Å; L392-M433 HydrophobicContact CD2-CE 3.78Å; L392-M433 HydrophobicContact CG-CE 4.11Å
393D86.1Confident85.5Confident41 Ų4152 Ų5222%0.21926%0.263CS..Hα-helixtrans-66-45.1177.3-159.541.2000111.9I318 L389 P390 L395 I396 K397I318-D393 HydrophobicContact CD1-CB 3.84Å; L389-D393 PolarHBondContact O-N 2.86Å; P390-D393 PolarHBondContact O-N 3.06Å; D393-L395 VanDerWaalsContact C-N 3.3Å; D393-L395 PolarHBondContact O-N 3.4Å; D393-I396 PolarHBondContact O-N 2.9Å; D393-I396 VanDerWaalsContact O-N 3.17Å; D393-K397 WeakPolarHBondContact O-CB 3.35Å; D393-K397 PolarHBondContact O-N 3.38Å; D393-K397 WeakPolarHBondContact OD1-CD 3.5Å; D393-K397 WeakPolarHBondContact OD1-CE 3.25Å; D393-K397 IonicContact OD1-NZ 3.35Å; D393-K397 PolarHBondContact OD1-NZ 3.21Å; D393-K397 WeakPolarHBondContact OD2-CD 3.25Å; D393-K397 WeakPolarHBondContact OD2-CE 3.49Å; D393-K397 IonicContact OD2-NZ 2.74Å; D393-K397 PolarHBondContact OD2-NZ 3.32Å
394D86Confident85.2Confident76 Ų7654.7 Ų54.741%0.40628%0.279SS..Hα-helixtrans-56-44171.2-82.9-20.9000111.7P390 I396 V398 H399P390-D394 PolarHBondContact O-N 2.73Å; D394-I396 VanDerWaalsContact C-N 3.3Å; D394-I396 PolarHBondContact O-N 2.88Å; D394-V398 WeakPolarHBondContact O-CA 3.43Å; D394-V398 WeakPolarHBondContact O-CB 3.32Å; D394-V398 PolarHBondContact O-N 3.5Å; D394-H399 PolarHBondContact O-N 3.34Å
395L83.2Confident84.8Confident1 Ų159.9 Ų59.91%0.00531%0.306CS..Hα-helixtrans-62.9-38.8179.1-174.866.3000111.9L391 L392 D393 H399 K400 F401 P403 W407 L438L391-L395 WeakPolarHBondContact O-CB 3.44Å; L391-L395 PolarHBondContact O-N 2.94Å; L391-L395 VanDerWaalsContact O-N 3.15Å; L392-L395 PolarHBondContact O-N 3.4Å; D393-L395 VanDerWaalsContact C-N 3.3Å; D393-L395 PolarHBondContact O-N 3.4Å; L395-H399 HydrophobicContact CD1-CB 4.24Å; L395-H399 CarbonylContact O-C 3.55Å; L395-K400 PolarHBondContact O-N 3.49Å; L395-K400 VanDerWaalsContact O-N 3.08Å; L395-F401 HydrophobicContact CG-CD1 4.5Å; L395-F401 PolarHBondContact O-N 2.97Å; L395-P403 HydrophobicContact CD1-CB 4.03Å; L395-W407 HydrophobicContact CB-CZ2 3.95Å; L395-W407 HydrophobicContact CD1-CD2 4.41Å; L395-W407 HydrophobicContact CD1-CZ2 4.35Å; L395-W407 HydrophobicContact CD2-CH2 3.92Å; L395-W407 HydrophobicContact CD2-CZ2 3.76Å; L395-W407 HydrophobicContact CG-CZ2 4.23Å; L395-L438 HydrophobicContact CD2-CD1 3.64Å; L395-L438 HydrophobicContact CD2-CD2 4.12Å
396I83.6Confident84.6Confident26 Ų2667.9 Ų67.913%0.13334%0.341CS..Hα-helixtrans-77.1-52.3-178.3-67.4161.4000111K320 L392 D393 D394 F401 M433K320-I396 HydrophobicContact CB-CD1 4.45Å; K320-I396 HydrophobicContact CD-CD1 4.3Å; K320-I396 HydrophobicContact CD-CG2 4.36Å; L392-I396 WeakPolarHBondContact O-CD1 3.49Å; L392-I396 VanDerWaalsContact O-CG1 3.22Å; L392-I396 WeakPolarHBondContact O-CG1 3.32Å; L392-I396 PolarHBondContact O-N 2.95Å; D393-I396 PolarHBondContact O-N 2.9Å; D393-I396 VanDerWaalsContact O-N 3.17Å; D394-I396 VanDerWaalsContact C-N 3.3Å; D394-I396 PolarHBondContact O-N 2.88Å; I396-F401 HydrophobicContact CG1-CE1 3.74Å; I396-F401 HydrophobicContact CG1-CZ 3.96Å; I396-M433 HydrophobicContact CD1-CE 4.19Å; I396-M433 HydrophobicContact CD1-SD 4.06Å
397K84Confident84.6Confident139 Ų13966.6 Ų66.660%0.60433%0.331SS*.Hα-helixtrans-80.8-53.6-172.7-68.6176.5179.1158.60112.6D393D393-K397 WeakPolarHBondContact O-CB 3.35Å; D393-K397 PolarHBondContact O-N 3.38Å; D393-K397 WeakPolarHBondContact OD1-CD 3.5Å; D393-K397 WeakPolarHBondContact OD1-CE 3.25Å; D393-K397 IonicContact OD1-NZ 3.35Å; D393-K397 PolarHBondContact OD1-NZ 3.21Å; D393-K397 WeakPolarHBondContact OD2-CD 3.25Å; D393-K397 WeakPolarHBondContact OD2-CE 3.49Å; D393-K397 IonicContact OD2-NZ 2.74Å; D393-K397 PolarHBondContact OD2-NZ 3.32Å
398V82.3Confident84.4Confident97 Ų9769.3 Ų69.359%0.58833%0.334SS*.THydrogen-bonded Turntrans-84.4-44.8-171.8-1720000111.1D394D394-V398 WeakPolarHBondContact O-CA 3.43Å; D394-V398 WeakPolarHBondContact O-CB 3.32Å; D394-V398 PolarHBondContact O-N 3.5Å
399H77Confident84.4Confident51 Ų5174 Ų7424%0.23636%0.356CS..SBendtrans-100.1-4.9-170.4-68.8-19.6000115.3D394 L395 F401 K402 T404D394-H399 PolarHBondContact O-N 3.34Å; L395-H399 HydrophobicContact CD1-CB 4.24Å; L395-H399 CarbonylContact O-C 3.55Å; H399-F401 VanDerWaalsContact C-N 3.25Å; H399-F401 PolarHBondContact O-N 3.48Å; H399-K402 PolarHBondContact O-N 3.41Å; H399-T404 WeakPolarHBondContact CE1-CG2 3.34Å; H399-T404 VanDerWaalsContact NE2-CG2 3.35Å; H399-T404 WeakPolarHBondContact NE2-CG2 3.49Å; H399-T404 PolarHBondContact NE2-OG1 2.95Å
400K79.5Confident84.3Confident170 Ų17076.7 Ų76.774%0.73938%0.375SS*.THydrogen-bonded Turntrans47.247.2178.7-59.3-178.2-179.71790112.6L395 K402L395-K400 PolarHBondContact O-N 3.49Å; L395-K400 VanDerWaalsContact O-N 3.08Å; K400-K402 VanDerWaalsContact C-N 3.27Å; K400-K402 PolarHBondContact O-N 3.29Å
401F77.4Confident84.3Confident73 Ų7374.3 Ų74.332%0.3236%0.359SS..THydrogen-bonded Turntrans6412.8-176.4-54.6-76.4000116.9L395 I396 H399 P403 M433 A435L395-F401 HydrophobicContact CG-CD1 4.5Å; L395-F401 PolarHBondContact O-N 2.97Å; I396-F401 HydrophobicContact CG1-CE1 3.74Å; I396-F401 HydrophobicContact CG1-CZ 3.96Å; H399-F401 VanDerWaalsContact C-N 3.25Å; H399-F401 PolarHBondContact O-N 3.48Å; F401-P403 VanDerWaalsContact O-CD 3.26Å; F401-P403 WeakPolarHBondContact O-CD 3.43Å; F401-M433 WeakPolarHBondContact CE1-O 3.44Å; F401-M433 WeakPolarHBondContact CZ-O 3.32Å; F401-A435 HydrophobicContact CD1-CB 3.77Å; F401-A435 HydrophobicContact CE1-CB 4.2Å
402K79.4Confident84.4Confident170 Ų17077.2 Ų77.274%0.73937%0.372SS*.  trans-102.591.9172.3-66.1-172.5178-175.60110.9H399 K400 T404H399-K402 PolarHBondContact O-N 3.41Å; K400-K402 VanDerWaalsContact C-N 3.27Å; K400-K402 PolarHBondContact O-N 3.29Å; K402-T404 PolarHBondContact O-N 3.31Å
403P78.8Confident84.6Confident40 Ų4081.2 Ų81.226%0.2639%0.393SS..  trans-64.3128.5-173.127.1-36.4000112.3L395 F401 W407 L438L395-P403 HydrophobicContact CD1-CB 4.03Å; F401-P403 VanDerWaalsContact O-CD 3.26Å; F401-P403 WeakPolarHBondContact O-CD 3.43Å; P403-W407 HydrophobicContact CB-CD2 4.17Å; P403-W407 HydrophobicContact CB-CE3 3.39Å; P403-W407 HydrophobicContact CB-CZ3 3.79Å; P403-L438 HydrophobicContact CB-CD2 4.35Å; P403-L438 HydrophobicContact CG-CD2 3.91Å
404T84.9Confident84.8Confident57 Ų5779.6 Ų79.635%0.3538%0.384SS..  trans-76.7163.6172.759.20000111.6H399 K402 K406 W407 R408H399-T404 WeakPolarHBondContact CE1-CG2 3.34Å; H399-T404 VanDerWaalsContact NE2-CG2 3.35Å; H399-T404 WeakPolarHBondContact NE2-CG2 3.49Å; H399-T404 PolarHBondContact NE2-OG1 2.95Å; K402-T404 PolarHBondContact O-N 3.31Å; T404-K406 PolarHBondContact O-N 3.2Å; T404-W407 PolarHBondContact O-N 3.1Å; T404-W407 WeakPolarHBondContact OG1-CB 3.29Å; T404-W407 PolarHBondContact OG1-N 2.99Å; T404-R408 WeakPolarHBondContact O-CB 3.44Å; T404-R408 PolarHBondContact O-N 2.85Å
405L84.1Confident84.9Confident125 Ų12577.5 Ų77.565%0.65437%0.373SS*.Hα-helixtrans-60.6-42.4180-174.464000112.4R408 Q409L405-R408 PolarHBondContact O-N 3.45Å; L405-Q409 WeakPolarHBondContact O-CG 3.45Å; L405-Q409 PolarHBondContact O-N 2.87Å
406K86.9Confident85.1Confident167 Ų16783.9 Ų83.973%0.72640%0.401SS*.Hα-helixtrans-62.9-46.3175.4-68-173.4176.9-175.40111.6T404 R408 Q409 S410T404-K406 PolarHBondContact O-N 3.2Å; K406-R408 VanDerWaalsContact C-N 3.32Å; K406-R408 PolarHBondContact O-N 3.48Å; K406-Q409 PolarHBondContact O-N 2.71Å; K406-S410 PolarHBondContact O-N 3.31Å; K406-S410 VanDerWaalsContact O-N 3.07Å; K406-S410 PolarHBondContact O-OG 3.5Å
407W89.6Confident85.2Confident13 Ų1385.8 Ų85.85%0.04941%0.413CS..Hα-helixtrans-58.8-44.7176.2-176.195.8000111.6L391 L395 P403 T404 Q409 S410 F411 L438L391-W407 PolarHBondContact O-NE1 3.43Å; L395-W407 HydrophobicContact CB-CZ2 3.95Å; L395-W407 HydrophobicContact CD1-CD2 4.41Å; L395-W407 HydrophobicContact CD1-CZ2 4.35Å; L395-W407 HydrophobicContact CD2-CH2 3.92Å; L395-W407 HydrophobicContact CD2-CZ2 3.76Å; L395-W407 HydrophobicContact CG-CZ2 4.23Å; P403-W407 HydrophobicContact CB-CD2 4.17Å; P403-W407 HydrophobicContact CB-CE3 3.39Å; P403-W407 HydrophobicContact CB-CZ3 3.79Å; T404-W407 PolarHBondContact O-N 3.1Å; T404-W407 WeakPolarHBondContact OG1-CB 3.29Å; T404-W407 PolarHBondContact OG1-N 2.99Å; W407-Q409 PolarHBondContact O-N 3.38Å; W407-S410 PolarHBondContact O-N 2.94Å; W407-F411 HydrophobicContact CE3-CB 4.08Å; W407-F411 HydrophobicContact CH2-CB 3.84Å; W407-F411 AromaticContact CH2-CD1 3.89Å; W407-F411 HydrophobicContact CH2-CD1 3.89Å; W407-F411 AromaticContact CH2-CD2 3.79Å; W407-F411 HydrophobicContact CH2-CD2 3.79Å; W407-F411 HydrophobicContact CH2-CE1 4.38Å; W407-F411 HydrophobicContact CH2-CE2 4.31Å; W407-F411 AromaticContact CH2-CG 3.57Å; W407-F411 HydrophobicContact CH2-CG 3.57Å; W407-F411 HydrophobicContact CZ2-CB 4.33Å; W407-F411 HydrophobicContact CZ2-CD2 4.23Å; W407-F411 HydrophobicContact CZ2-CG 4.29Å; W407-F411 HydrophobicContact CZ3-CB 3.7Å; W407-F411 AromaticContact CZ3-CD1 3.87Å; W407-F411 HydrophobicContact CZ3-CD1 3.87Å; W407-F411 HydrophobicContact CZ3-CD2 4.45Å; W407-F411 AromaticContact CZ3-CG 3.76Å; W407-F411 HydrophobicContact CZ3-CG 3.76Å; W407-F411 WeakPolarHBondContact O-CB 3.33Å; W407-F411 PolarHBondContact O-N 2.92Å; W407-L438 HydrophobicContact CH2-CD2 4.26Å; W407-L438 HydrophobicContact CZ3-CD2 4.14Å
408R86.7Confident85.4Confident126 Ų12679.5 Ų79.548%0.47539%0.386SS..Hα-helixtrans-60.5-44.9177.8178.2-179-68.8-121.31.9111.6T404 L405 K406 S410 F411 E412T404-R408 WeakPolarHBondContact O-CB 3.44Å; T404-R408 PolarHBondContact O-N 2.85Å; L405-R408 PolarHBondContact O-N 3.45Å; K406-R408 VanDerWaalsContact C-N 3.32Å; K406-R408 PolarHBondContact O-N 3.48Å; R408-S410 PolarHBondContact O-N 2.84Å; R408-F411 PolarHBondContact O-N 3.38Å; R408-E412 VanDerWaalsContact CD-OE1 3.3Å; R408-E412 WeakPolarHBondContact CD-OE1 3.43Å; R408-E412 HydrophobicContact CG-CG 4.23Å; R408-E412 WeakPolarHBondContact CG-OE1 3.5Å; R408-E412 WeakPolarHBondContact O-CB 3.3Å; R408-E412 VanDerWaalsContact O-CG 3.31Å; R408-E412 WeakPolarHBondContact O-CG 3.31Å; R408-E412 PolarHBondContact O-N 3.15Å
409Q89.7Confident85.7Confident98 Ų9874.9 Ų74.946%0.45836%0.358SS..Hα-helixtrans-60.4-42.7176.2-72.4167.7-18.500112.1L405 K406 W407 N413L405-Q409 WeakPolarHBondContact O-CG 3.45Å; L405-Q409 PolarHBondContact O-N 2.87Å; K406-Q409 PolarHBondContact O-N 2.71Å; W407-Q409 PolarHBondContact O-N 3.38Å; Q409-N413 WeakPolarHBondContact O-CB 3.34Å; Q409-N413 VanDerWaalsContact O-CG 3.28Å; Q409-N413 PolarHBondContact O-N 2.8Å; Q409-N413 PolarHBondContact O-ND2 3.13Å
410S89.3Confident86.2Confident58 Ų5873.9 Ų73.941%0.40636%0.356SS..Hα-helixtrans-63.1-43.5174.6-600000112.4K406 W407 R408 N413 Y414K406-S410 PolarHBondContact O-N 3.31Å; K406-S410 VanDerWaalsContact O-N 3.07Å; K406-S410 PolarHBondContact O-OG 3.5Å; W407-S410 PolarHBondContact O-N 2.94Å; R408-S410 PolarHBondContact O-N 2.84Å; S410-N413 PolarHBondContact O-N 2.94Å; S410-Y414 PolarHBondContact O-N 2.94Å
411F89.6Confident86.6Confident6 Ų667.3 Ų67.33%0.02633%0.327CS..Hα-helixtrans-67.4-41.8178-175.4-112.7000112.5L388 W407 R408 N413 Y414 L415 L426 L430 L439L388-F411 HydrophobicContact CD1-CD2 4.28Å; L388-F411 HydrophobicContact CD1-CE2 3.94Å; W407-F411 HydrophobicContact CE3-CB 4.08Å; W407-F411 HydrophobicContact CH2-CB 3.84Å; W407-F411 AromaticContact CH2-CD1 3.89Å; W407-F411 HydrophobicContact CH2-CD1 3.89Å; W407-F411 AromaticContact CH2-CD2 3.79Å; W407-F411 HydrophobicContact CH2-CD2 3.79Å; W407-F411 HydrophobicContact CH2-CE1 4.38Å; W407-F411 HydrophobicContact CH2-CE2 4.31Å; W407-F411 AromaticContact CH2-CG 3.57Å; W407-F411 HydrophobicContact CH2-CG 3.57Å; W407-F411 HydrophobicContact CZ2-CB 4.33Å; W407-F411 HydrophobicContact CZ2-CD2 4.23Å; W407-F411 HydrophobicContact CZ2-CG 4.29Å; W407-F411 HydrophobicContact CZ3-CB 3.7Å; W407-F411 AromaticContact CZ3-CD1 3.87Å; W407-F411 HydrophobicContact CZ3-CD1 3.87Å; W407-F411 HydrophobicContact CZ3-CD2 4.45Å; W407-F411 AromaticContact CZ3-CG 3.76Å; W407-F411 HydrophobicContact CZ3-CG 3.76Å; W407-F411 WeakPolarHBondContact O-CB 3.33Å; W407-F411 PolarHBondContact O-N 2.92Å; R408-F411 PolarHBondContact O-N 3.38Å; F411-N413 VanDerWaalsContact C-N 3.28Å; F411-N413 PolarHBondContact O-N 3.08Å; F411-Y414 HydrophobicContact CD2-CD1 4.33Å; F411-Y414 HydrophobicContact CE2-CD1 4.35Å; F411-Y414 WeakPolarHBondContact O-CB 3.41Å; F411-Y414 PolarHBondContact O-N 3.15Å; F411-L415 HydrophobicContact CD1-CD1 4Å; F411-L415 HydrophobicContact CD1-CG 4.5Å; F411-L415 HydrophobicContact CE1-CD1 3.75Å; F411-L415 HydrophobicContact CE1-CG 4.29Å; F411-L415 HydrophobicContact CZ-CD1 4.28Å; F411-L415 HydrophobicContact CZ-CD2 4.33Å; F411-L415 HydrophobicContact CZ-CG 4.39Å; F411-L415 WeakPolarHBondContact O-CG 3.39Å; F411-L415 PolarHBondContact O-N 2.77Å; F411-L426 HydrophobicContact CE2-CD2 4.49Å; F411-L426 HydrophobicContact CZ-CD2 4.25Å; F411-L430 HydrophobicContact CZ-CD1 4.33Å; F411-L439 HydrophobicContact CE1-CD2 3.86Å; F411-L439 HydrophobicContact CZ-CD2 4.13Å
412E88.4Confident87.2Confident83 Ų8363.8 Ų63.839%0.38831%0.312SS..Hα-helixtrans-63.5-32.4173.3-75.2171.3-171.400112.2R408 K416R408-E412 VanDerWaalsContact CD-OE1 3.3Å; R408-E412 WeakPolarHBondContact CD-OE1 3.43Å; R408-E412 HydrophobicContact CG-CG 4.23Å; R408-E412 WeakPolarHBondContact CG-OE1 3.5Å; R408-E412 WeakPolarHBondContact O-CB 3.3Å; R408-E412 VanDerWaalsContact O-CG 3.31Å; R408-E412 WeakPolarHBondContact O-CG 3.31Å; R408-E412 PolarHBondContact O-N 3.15Å; E412-K416 WeakPolarHBondContact O-CE 3.22Å; E412-K416 WeakPolarHBondContact O-CG 3.25Å; E412-K416 PolarHBondContact O-N 3.38Å
413N90.3Very high87.7Confident89 Ų8956.2 Ų56.248%0.47628%0.279SS..Hα-helixtrans-72.5-41.9172.2-74-21.1000112.2Q409 S410 F411 L415 K416Q409-N413 WeakPolarHBondContact O-CB 3.34Å; Q409-N413 VanDerWaalsContact O-CG 3.28Å; Q409-N413 PolarHBondContact O-N 2.8Å; Q409-N413 PolarHBondContact O-ND2 3.13Å; S410-N413 PolarHBondContact O-N 2.94Å; F411-N413 VanDerWaalsContact C-N 3.28Å; F411-N413 PolarHBondContact O-N 3.08Å; N413-L415 VanDerWaalsContact C-N 3.32Å; N413-L415 PolarHBondContact O-N 3.47Å; N413-K416 WeakPolarHBondContact O-CB 3.34Å; N413-K416 PolarHBondContact O-N 2.88Å; N413-K416 PolarHBondContact OD1-NZ 3.19Å
414Y90.3Very high88.1Confident6 Ų655.7 Ų55.72%0.02428%0.281CS..Hα-helixtrans-55.7-45.8170.6160.9-88.8000111.4Y383 N384 V387 L388 S410 F411 K416 T417 M418 L426Y383-Y414 WeakPolarHBondContact O-CE2 3.23Å; Y383-Y414 PolarHBondContact O-OH 2.71Å; N384-Y414 HydrophobicContact CB-CE2 4.3Å; V387-Y414 HydrophobicContact CG1-CD2 4.24Å; L388-Y414 HydrophobicContact CB-CD2 4.34Å; L388-Y414 HydrophobicContact CB-CE2 3.82Å; L388-Y414 HydrophobicContact CD1-CD1 4.14Å; L388-Y414 HydrophobicContact CD1-CE1 3.9Å; L388-Y414 HydrophobicContact CD1-CE2 4.45Å; L388-Y414 HydrophobicContact CD2-CE1 4.41Å; L388-Y414 HydrophobicContact CG-CE2 4.5Å; S410-Y414 PolarHBondContact O-N 2.94Å; F411-Y414 HydrophobicContact CD2-CD1 4.33Å; F411-Y414 HydrophobicContact CE2-CD1 4.35Å; F411-Y414 WeakPolarHBondContact O-CB 3.41Å; F411-Y414 PolarHBondContact O-N 3.15Å; Y414-K416 PolarHBondContact O-N 2.77Å; Y414-K416 VanDerWaalsContact O-N 3.15Å; Y414-T417 PolarHBondContact O-N 3.01Å; Y414-T417 PolarHBondContact O-OG1 2.88Å; Y414-M418 HydrophobicContact CE1-CB 4.27Å; Y414-M418 HydrophobicContact CE1-SD 3.85Å; Y414-M418 PolarHBondContact O-N 3.05Å; Y414-M418 PolarHBondContact OH-SD 2.95Å; Y414-L426 HydrophobicContact CE1-CD2 4.28Å
415L88.1Confident88.3Confident32 Ų3253.6 Ų53.617%0.16827%0.269CS..Hα-helixtrans-60.5-25.7180-73174.3000113.6F411 N413 T417 M418 L426 L439 M443F411-L415 HydrophobicContact CD1-CD1 4Å; F411-L415 HydrophobicContact CD1-CG 4.5Å; F411-L415 HydrophobicContact CE1-CD1 3.75Å; F411-L415 HydrophobicContact CE1-CG 4.29Å; F411-L415 HydrophobicContact CZ-CD1 4.28Å; F411-L415 HydrophobicContact CZ-CD2 4.33Å; F411-L415 HydrophobicContact CZ-CG 4.39Å; F411-L415 WeakPolarHBondContact O-CG 3.39Å; F411-L415 PolarHBondContact O-N 2.77Å; N413-L415 VanDerWaalsContact C-N 3.32Å; N413-L415 PolarHBondContact O-N 3.47Å; L415-T417 VanDerWaalsContact C-N 3.33Å; L415-M418 HydrophobicContact CD2-CE 3.76Å; L415-L426 HydrophobicContact CD2-CD2 3.86Å; L415-L439 HydrophobicContact CD1-CD2 3.86Å; L415-L439 HydrophobicContact CD2-CD2 4.33Å; L415-M443 HydrophobicContact CD1-CE 3.98Å
416K86.4Confident88.6Confident136 Ų13647.8 Ų47.859%0.59124%0.238SC*.Hα-helixtrans-75.2-20.7173.5-63.6162.2-161.9165.50113.2E412 N413 Y414E412-K416 WeakPolarHBondContact O-CE 3.22Å; E412-K416 WeakPolarHBondContact O-CG 3.25Å; E412-K416 PolarHBondContact O-N 3.38Å; N413-K416 WeakPolarHBondContact O-CB 3.34Å; N413-K416 PolarHBondContact O-N 2.88Å; N413-K416 PolarHBondContact OD1-NZ 3.19Å; Y414-K416 PolarHBondContact O-N 2.77Å; Y414-K416 VanDerWaalsContact O-N 3.15Å
417T86.9Confident88.6Confident65 Ų6541.8 Ų41.840%0.39921%0.211SC..Hα-helixtrans-93.4-21.5178.769.30000113.3Y414 L415Y414-T417 PolarHBondContact O-N 3.01Å; Y414-T417 PolarHBondContact O-OG1 2.88Å; L415-T417 VanDerWaalsContact C-N 3.33Å
418M88.5Confident88.5Confident7 Ų747.7 Ų47.73%0.03424%0.237CC..SBendtrans-80.6136.6179.2-174.3-172.973.100110.9W289 Y383 Y414 L415 Y422 I423 L426W289-M418 WeakPolarHBondContact CH2-O 3.19Å; Y383-M418 HydrophobicContact CD1-CG 4.47Å; Y414-M418 HydrophobicContact CE1-CB 4.27Å; Y414-M418 HydrophobicContact CE1-SD 3.85Å; Y414-M418 PolarHBondContact O-N 3.05Å; Y414-M418 PolarHBondContact OH-SD 2.95Å; L415-M418 HydrophobicContact CD2-CE 3.76Å; M418-Y422 HydrophobicContact CG-CG 4.37Å; M418-I423 HydrophobicContact CE-CB 4.13Å; M418-L426 HydrophobicContact CE-CD2 4.11Å; M418-L426 HydrophobicContact SD-CD2 3.97Å
419P88.9Confident88.6Confident0 Ų042 Ų420%022%0.216CC..  trans-61.6136.8177.3-2230.7000111.9W289 Y383 Y421 Y422W289-P419 HydrophobicContact CE3-CB 4.43Å; W289-P419 HydrophobicContact CE3-CG 4.28Å; W289-P419 HydrophobicContact CZ3-CB 4.13Å; W289-P419 HydrophobicContact CZ3-CG 3.86Å; Y383-P419 HydrophobicContact CD1-CG 4.32Å; Y383-P419 HydrophobicContact CD2-CG 4.49Å; Y383-P419 VanDerWaalsContact CE1-CD 3.46Å; Y383-P419 HydrophobicContact CE1-CG 4.13Å; Y383-P419 HydrophobicContact CE2-CG 4.32Å; Y383-P419 HydrophobicContact CG-CG 4.46Å; P419-Y421 VanDerWaalsContact C-N 3.31Å; P419-Y421 HydrophobicContact CB-CD1 4.09Å; P419-Y421 HydrophobicContact CB-CE1 3.46Å; P419-Y421 VanDerWaalsContact CB-CE1 3.46Å; P419-Y421 HydrophobicContact CB-CE2 4.35Å; P419-Y421 PolarHBondContact O-N 2.89Å; P419-Y422 HydrophobicContact CB-CD2 4.05Å; P419-Y422 HydrophobicContact CG-CD2 4.05Å; P419-Y422 HydrophobicContact CG-CE2 4.25Å; P419-Y422 PolarHBondContact O-N 2.91Å
420P87.1Confident88.5Confident31 Ų3137.4 Ų37.420%0.20120%0.195CC..THydrogen-bonded Turntrans-39.2-48.9-176.4-39.438.9000116.8Y422 I423 Y445P420-Y422 VanDerWaalsContact C-N 3.29Å; P420-Y422 PolarHBondContact O-N 2.89Å; P420-I423 WeakPolarHBondContact O-CG2 3.31Å; P420-I423 PolarHBondContact O-N 2.96Å; P420-Y445 WeakPolarHBondContact CB-O 3.4Å
421Y88.5Confident88.4Confident31 Ų3142.5 Ų42.512%0.12221%0.206CC..THydrogen-bonded Turntrans-66.5-22.5-174.152.9-91.6000114.5Q113 E286 P290 P419 I423Q113-Y421 VanDerWaalsContact C-CD2 3.45Å; E286-Y421 HydrophobicContact CG-CE1 4.48Å; E286-Y421 PolarHBondContact N-OH 2.78Å; P290-Y421 HydrophobicContact CG-CD1 3.81Å; P290-Y421 HydrophobicContact CG-CE1 3.75Å; P419-Y421 VanDerWaalsContact C-N 3.31Å; P419-Y421 HydrophobicContact CB-CD1 4.09Å; P419-Y421 HydrophobicContact CB-CE1 3.46Å; P419-Y421 VanDerWaalsContact CB-CE1 3.46Å; P419-Y421 HydrophobicContact CB-CE2 4.35Å; P419-Y421 PolarHBondContact O-N 2.89Å; Y421-I423 PolarHBondContact O-N 3.36Å
422Y89.9Confident88.1Confident0 Ų047.3 Ų47.30%023%0.23CC..Hα-helixtrans-65-19.1176.7-87.4-84.2000113.3W282 P283 P285 Y383 M418 P419 P420 G424 S425 L426W282-Y422 HydrophobicContact CE3-CD1 4.15Å; W282-Y422 HydrophobicContact CE3-CE1 4.43Å; P283-Y422 HydrophobicContact CG-CD1 4.11Å; P283-Y422 HydrophobicContact CG-CE1 3.66Å; P283-Y422 WeakPolarHBondContact O-CE1 3.18Å; P283-Y422 PolarHBondContact O-OH 3.26Å; P285-Y422 WeakPolarHBondContact CD-OH 3.43Å; P285-Y422 HydrophobicContact CG-CE2 4.45Å; P285-Y422 VanDerWaalsContact CG-OH 3.31Å; P285-Y422 WeakPolarHBondContact CG-OH 3.4Å; P285-Y422 VanDerWaalsContact N-OH 3.1Å; Y383-Y422 HydrophobicContact CD2-CE2 4.27Å; Y383-Y422 HydrophobicContact CG-CE2 4.41Å; M418-Y422 HydrophobicContact CG-CG 4.37Å; P419-Y422 HydrophobicContact CB-CD2 4.05Å; P419-Y422 HydrophobicContact CG-CD2 4.05Å; P419-Y422 HydrophobicContact CG-CE2 4.25Å; P419-Y422 PolarHBondContact O-N 2.91Å; P420-Y422 VanDerWaalsContact C-N 3.29Å; P420-Y422 PolarHBondContact O-N 2.89Å; Y422-G424 PolarHBondContact O-N 3.38Å; Y422-S425 PolarHBondContact O-N 2.99Å; Y422-S425 VanDerWaalsContact O-N 3.1Å; Y422-L426 PolarHBondContact O-N 3.36Å
423I88.8Confident87.8Confident11 Ų1144 Ų446%0.05622%0.215CC..Hα-helixtrans-59.9-31.6-177.5-160159.2000112.7M418 P420 Y421 R427 L439 M443M418-I423 HydrophobicContact CE-CB 4.13Å; P420-I423 WeakPolarHBondContact O-CG2 3.31Å; P420-I423 PolarHBondContact O-N 2.96Å; Y421-I423 PolarHBondContact O-N 3.36Å; I423-R427 VanDerWaalsContact O-CB 3.25Å; I423-R427 WeakPolarHBondContact O-CB 3.19Å; I423-R427 PolarHBondContact O-N 3.17Å; I423-L439 HydrophobicContact CD1-CD2 4.47Å; I423-L439 HydrophobicContact CG1-CD1 4.05Å; I423-M443 HydrophobicContact CD1-CB 4.22Å; I423-M443 HydrophobicContact CD1-CE 3.6Å; I423-M443 HydrophobicContact CD1-CG 3.81Å; I423-M443 WeakPolarHBondContact CD1-O 3.42Å; I423-M443 HydrophobicContact CD1-SD 4.46Å
424G88.1Confident87.3Confident28 Ų2842.6 Ų42.629%0.28922%0.221SC..Hα-helixtrans-67.4-41175.800000113.2Y422 K428Y422-G424 PolarHBondContact O-N 3.38Å; G424-K428 WeakPolarHBondContact O-CG 3.28Å; G424-K428 PolarHBondContact O-N 2.93Å
425S88.8Confident86.7Confident14 Ų1442.8 Ų42.810%0.09822%0.224CC..Hα-helixtrans-71.1-42173.3-79.40000111.9H281 Y422 R427 K428 A429H281-S425 WeakPolarHBondContact O-CB 3.46Å; H281-S425 PolarHBondContact O-OG 3.13Å; Y422-S425 PolarHBondContact O-N 2.99Å; Y422-S425 VanDerWaalsContact O-N 3.1Å; S425-R427 VanDerWaalsContact C-N 3.34Å; S425-R427 PolarHBondContact O-N 2.73Å; S425-K428 WeakPolarHBondContact O-CB 3.41Å; S425-K428 PolarHBondContact O-N 3.14Å; S425-K428 VanDerWaalsContact O-N 3.14Å; S425-A429 PolarHBondContact O-N 3.48Å
426L89.1Confident86Confident2 Ų244.2 Ų44.21%0.0124%0.235CC..Hα-helixtrans-60.5-42.9176-176.260.6000111.6W282 L388 F411 Y414 L415 M418 Y422 K428 A429 L430 L439W282-L426 HydrophobicContact CH2-CB 4.45Å; W282-L426 HydrophobicContact CH2-CD1 4.11Å; W282-L426 HydrophobicContact CZ3-CB 4.36Å; L388-L426 HydrophobicContact CD2-CD1 3.97Å; F411-L426 HydrophobicContact CE2-CD2 4.49Å; F411-L426 HydrophobicContact CZ-CD2 4.25Å; Y414-L426 HydrophobicContact CE1-CD2 4.28Å; L415-L426 HydrophobicContact CD2-CD2 3.86Å; M418-L426 HydrophobicContact CE-CD2 4.11Å; M418-L426 HydrophobicContact SD-CD2 3.97Å; Y422-L426 PolarHBondContact O-N 3.36Å; L426-K428 VanDerWaalsContact C-N 3.32Å; L426-K428 PolarHBondContact O-N 3.42Å; L426-A429 PolarHBondContact O-N 3.17Å; L426-L430 HydrophobicContact CD1-CD1 4.28Å; L426-L430 HydrophobicContact CD1-CG 4.18Å; L426-L430 HydrophobicContact CG-CD1 4.02Å; L426-L430 HydrophobicContact CG-CG 4.36Å; L426-L430 WeakPolarHBondContact O-CB 3.48Å; L426-L430 VanDerWaalsContact O-CG 3.3Å; L426-L430 WeakPolarHBondContact O-CG 3.17Å; L426-L430 PolarHBondContact O-N 3.41Å; L426-L439 HydrophobicContact CD2-CD1 4.45Å; L426-L439 HydrophobicContact CG-CD1 4.33Å
427R88.4Confident85.4Confident42 Ų4245.1 Ų45.116%0.15825%0.247CC..Hα-helixtrans-61.5-36.8175.3-166-170.8-67.6158.1-1.6112.3I423 S425 R431 L439 E441 M443 E444I423-R427 VanDerWaalsContact O-CB 3.25Å; I423-R427 WeakPolarHBondContact O-CB 3.19Å; I423-R427 PolarHBondContact O-N 3.17Å; S425-R427 VanDerWaalsContact C-N 3.34Å; S425-R427 PolarHBondContact O-N 2.73Å; R427-R431 WeakPolarHBondContact O-CB 3.43Å; R427-R431 PolarHBondContact O-N 2.99Å; R427-R431 VanDerWaalsContact O-N 3.16Å; R427-L439 HydrophobicContact CB-CD1 4.02Å; R427-L439 HydrophobicContact CG-CD1 4.46Å; R427-E441 PolarHBondContact NH2-O 3.19Å; R427-M443 PolarHBondContact NH2-O 3.45Å; R427-M443 VanDerWaalsContact NH2-O 3.15Å; R427-E444 IonicContact CZ-OE1 3.6Å; R427-E444 IonicContact NH1-OE1 3.2Å; R427-E444 PolarHBondContact NH1-OE1 3.08Å; R427-E444 IonicContact NH2-OE1 2.87Å
428K87.8Confident84.8Confident136 Ų13643.6 Ų43.659%0.59124%0.236SC*.Hα-helixtrans-66.4-47.1172.8-68.9167.5-174.6173.50111.6G424 S425 L426 R431 I432G424-K428 WeakPolarHBondContact O-CG 3.28Å; G424-K428 PolarHBondContact O-N 2.93Å; S425-K428 WeakPolarHBondContact O-CB 3.41Å; S425-K428 PolarHBondContact O-N 3.14Å; S425-K428 VanDerWaalsContact O-N 3.14Å; L426-K428 VanDerWaalsContact C-N 3.32Å; L426-K428 PolarHBondContact O-N 3.42Å; K428-R431 WeakPolarHBondContact O-CB 3.47Å; K428-R431 PolarHBondContact O-N 3.27Å; K428-I432 WeakPolarHBondContact O-CG1 3.32Å; K428-I432 PolarHBondContact O-N 3.16Å; K428-I432 VanDerWaalsContact O-N 3.09Å
429A88.3Confident84.4Confident6 Ų643.8 Ų43.85%0.0524%0.237CC..Hα-helixtrans-61.7-46178.400000112.2W282 P322 S425 L426 R431 I432 M433W282-A429 HydrophobicContact CH2-CB 3.7Å; W282-A429 HydrophobicContact CZ2-CB 3.57Å; P322-A429 HydrophobicContact CG-CB 3.73Å; S425-A429 PolarHBondContact O-N 3.48Å; L426-A429 PolarHBondContact O-N 3.17Å; A429-R431 VanDerWaalsContact C-N 3.28Å; A429-R431 PolarHBondContact O-N 2.93Å; A429-I432 WeakPolarHBondContact O-CB 3.41Å; A429-I432 PolarHBondContact O-N 2.72Å; A429-I432 VanDerWaalsContact O-N 3.1Å; A429-M433 WeakPolarHBondContact O-CG 3.39Å; A429-M433 PolarHBondContact O-N 3.19Å
430L87Confident83.6Confident3 Ų346.8 Ų46.82%0.01626%0.262CS..Hα-helixtrans-63.1-32.5176.9-68175.4000112.8L392 F411 L426 M433 G434 A435 L438 L439L392-L430 HydrophobicContact CD2-CD2 3.87Å; F411-L430 HydrophobicContact CZ-CD1 4.33Å; L426-L430 HydrophobicContact CD1-CD1 4.28Å; L426-L430 HydrophobicContact CD1-CG 4.18Å; L426-L430 HydrophobicContact CG-CD1 4.02Å; L426-L430 HydrophobicContact CG-CG 4.36Å; L426-L430 WeakPolarHBondContact O-CB 3.48Å; L426-L430 VanDerWaalsContact O-CG 3.3Å; L426-L430 WeakPolarHBondContact O-CG 3.17Å; L426-L430 PolarHBondContact O-N 3.41Å; L430-M433 HydrophobicContact CD2-CE 4.01Å; L430-M433 PolarHBondContact O-N 2.8Å; L430-G434 PolarHBondContact O-N 3.49Å; L430-A435 CarbonylContact O-C 3.55Å; L430-A435 PolarHBondContact O-N 3.19Å; L430-L438 HydrophobicContact CD1-CB 4.2Å; L430-L438 HydrophobicContact CD1-CD1 4.18Å; L430-L438 HydrophobicContact CD2-CD1 3.91Å; L430-L439 HydrophobicContact CD1-CD1 3.86Å; L430-L439 HydrophobicContact CD1-CG 4.06Å
431R86.6Confident82.3Confident164 Ų16453 Ų5362%0.61929%0.288SS*.Hα-helixtrans-65.6-42.6171.4-173.8-177.7-66.5171.1-2.9111.9R427 K428 A429 M433 G434R427-R431 WeakPolarHBondContact O-CB 3.43Å; R427-R431 PolarHBondContact O-N 2.99Å; R427-R431 VanDerWaalsContact O-N 3.16Å; K428-R431 WeakPolarHBondContact O-CB 3.47Å; K428-R431 PolarHBondContact O-N 3.27Å; A429-R431 VanDerWaalsContact C-N 3.28Å; A429-R431 PolarHBondContact O-N 2.93Å; R431-M433 VanDerWaalsContact C-N 3.29Å; R431-M433 PolarHBondContact O-N 2.85Å; R431-G434 PolarHBondContact O-N 3.22Å; R431-G434 VanDerWaalsContact O-N 3.13Å
432I85.1Confident81Confident107 Ų10759.3 Ų59.355%0.54932%0.324SS..Hα-helixtrans-62.6-37.8174.6-66.2165.3000110.8P322 K428 A429 G434P322-I432 HydrophobicContact CG-CD1 4.31Å; K428-I432 WeakPolarHBondContact O-CG1 3.32Å; K428-I432 PolarHBondContact O-N 3.16Å; K428-I432 VanDerWaalsContact O-N 3.09Å; A429-I432 WeakPolarHBondContact O-CB 3.41Å; A429-I432 PolarHBondContact O-N 2.72Å; A429-I432 VanDerWaalsContact O-N 3.1Å; I432-G434 PolarHBondContact O-N 2.93Å
433M80.6Confident79.8Confident15 Ų1561.9 Ų61.97%0.07434%0.336CS..THydrogen-bonded Turntrans-71.9-4.5175.5-61.7-134.8-65.200114.9K320 V321 L392 I396 F401 A429 L430 R431K320-M433 HydrophobicContact CB-CG 4.32Å; K320-M433 HydrophobicContact CB-SD 3.75Å; K320-M433 VanDerWaalsContact O-CG 3.29Å; K320-M433 WeakPolarHBondContact O-CG 3.31Å; V321-M433 HydrophobicContact CB-SD 4.39Å; V321-M433 HydrophobicContact CG2-CE 4.23Å; V321-M433 HydrophobicContact CG2-SD 3.59Å; V321-M433 VanDerWaalsContact CG2-SD 3.59Å; L392-M433 HydrophobicContact CB-CE 4.15Å; L392-M433 HydrophobicContact CD1-CE 3.8Å; L392-M433 HydrophobicContact CD2-CE 3.78Å; L392-M433 HydrophobicContact CG-CE 4.11Å; I396-M433 HydrophobicContact CD1-CE 4.19Å; I396-M433 HydrophobicContact CD1-SD 4.06Å; F401-M433 WeakPolarHBondContact CE1-O 3.44Å; F401-M433 WeakPolarHBondContact CZ-O 3.32Å; A429-M433 WeakPolarHBondContact O-CG 3.39Å; A429-M433 PolarHBondContact O-N 3.19Å; L430-M433 HydrophobicContact CD2-CE 4.01Å; L430-M433 PolarHBondContact O-N 2.8Å; R431-M433 VanDerWaalsContact C-N 3.29Å; R431-M433 PolarHBondContact O-N 2.85Å
434G79.4Confident78.4Confident58 Ų5867.7 Ų67.760%0.59836%0.363SS*.THydrogen-bonded Turntrans83.414.2-17900000115.3L430 R431 I432 P436L430-G434 PolarHBondContact O-N 3.49Å; R431-G434 PolarHBondContact O-N 3.22Å; R431-G434 VanDerWaalsContact O-N 3.13Å; I432-G434 PolarHBondContact O-N 2.93Å; G434-P436 WeakPolarHBondContact O-CD 3.28Å
435A78.8Confident77.2Confident11 Ų1172.8 Ų72.89%0.09138%0.375CS..  trans-12357.4-177.100000113.4F401 L430 N437 L438F401-A435 HydrophobicContact CD1-CB 3.77Å; F401-A435 HydrophobicContact CE1-CB 4.2Å; L430-A435 CarbonylContact O-C 3.55Å; L430-A435 PolarHBondContact O-N 3.19Å; A435-N437 VanDerWaalsContact C-N 3.31Å; A435-N437 PolarHBondContact O-N 3.28Å; A435-L438 HydrophobicContact CB-CD1 3.57Å; A435-L438 HydrophobicContact CB-CG 4.16Å
436P73.6Confident76Confident61 Ų6174 Ų7440%0.39639%0.39SS..G310 helixtrans-63.2-31.4-174.725.1-33.8000114.1G434 L438G434-P436 WeakPolarHBondContact O-CD 3.28Å; P436-L438 PolarHBondContact O-N 3.41Å
437N73.6Confident75.6Confident155 Ų15575.1 Ų75.183%0.82940%0.396SS*.G310 helixtrans-83.211.9-168.8-58.82.2000114.3A435A435-N437 VanDerWaalsContact C-N 3.31Å; A435-N437 PolarHBondContact O-N 3.28Å
438L74.6Confident75.4Confident34 Ų3474.1 Ų74.118%0.17840%0.396CS..G310 helixtrans-78.5-22.2179.8-73.5169.2000113.9L395 P403 W407 L430 A435 P436L395-L438 HydrophobicContact CD2-CD1 3.64Å; L395-L438 HydrophobicContact CD2-CD2 4.12Å; P403-L438 HydrophobicContact CB-CD2 4.35Å; P403-L438 HydrophobicContact CG-CD2 3.91Å; W407-L438 HydrophobicContact CH2-CD2 4.26Å; W407-L438 HydrophobicContact CZ3-CD2 4.14Å; L430-L438 HydrophobicContact CD1-CB 4.2Å; L430-L438 HydrophobicContact CD1-CD1 4.18Å; L430-L438 HydrophobicContact CD2-CD1 3.91Å; A435-L438 HydrophobicContact CB-CD1 3.57Å; A435-L438 HydrophobicContact CB-CG 4.16Å; P436-L438 PolarHBondContact O-N 3.41Å
439L79Confident75.3Confident11 Ų1176.9 Ų76.96%0.05840%0.404CS..SBendtrans-119.6137.3-179.9-64.6173.2000109.1F411 L415 I423 L426 R427 L430 M443F411-L439 HydrophobicContact CE1-CD2 3.86Å; F411-L439 HydrophobicContact CZ-CD2 4.13Å; L415-L439 HydrophobicContact CD1-CD2 3.86Å; L415-L439 HydrophobicContact CD2-CD2 4.33Å; I423-L439 HydrophobicContact CD1-CD2 4.47Å; I423-L439 HydrophobicContact CG1-CD1 4.05Å; L426-L439 HydrophobicContact CD2-CD1 4.45Å; L426-L439 HydrophobicContact CG-CD1 4.33Å; R427-L439 HydrophobicContact CB-CD1 4.02Å; R427-L439 HydrophobicContact CG-CD1 4.46Å; L430-L439 HydrophobicContact CD1-CD1 3.86Å; L430-L439 HydrophobicContact CD1-CG 4.06Å; L439-M443 HydrophobicContact CD2-CE 3.86Å
440A72.6Confident75.3Confident62 Ų6279.1 Ų79.151%0.51242%0.419SS..  trans-65.7138.8172.700000110.7N442 M443A440-N442 VanDerWaalsContact C-N 3.3Å; A440-N442 PolarHBondContact O-N 3.08Å; A440-M443 HydrophobicContact CB-CB 4.29Å; A440-M443 WeakPolarHBondContact O-CB 3.36Å; A440-M443 PolarHBondContact O-N 3.36Å; A440-M443 VanDerWaalsContact O-N 3.08Å
441E60.1Low75.4Confident163 Ų16379.2 Ų79.276%0.76242%0.42SS*.THydrogen-bonded Turntrans-62.6-39.4-176.8-57.9-167.1131.400111.7R427 M443R427-E441 PolarHBondContact NH2-O 3.19Å; E441-M443 PolarHBondContact O-N 2.84Å
442N60.3Low75.5Confident163 Ų16373.7 Ų73.787%0.87240%0.404SS*.THydrogen-bonded Turntrans-69.4-8177.4-60.9-11000114.1A440 E444A440-N442 VanDerWaalsContact C-N 3.3Å; A440-N442 PolarHBondContact O-N 3.08Å; N442-E444 PolarHBondContact O-N 3.3Å
443M65.3Low75.7Confident53 Ų5371.5 Ų71.526%0.26140%0.398SS..  trans-83.469.1-177-159.8158.274.700110.8L415 I423 R427 L439 A440 E441 Y445L415-M443 HydrophobicContact CD1-CE 3.98Å; I423-M443 HydrophobicContact CD1-CB 4.22Å; I423-M443 HydrophobicContact CD1-CE 3.6Å; I423-M443 HydrophobicContact CD1-CG 3.81Å; I423-M443 WeakPolarHBondContact CD1-O 3.42Å; I423-M443 HydrophobicContact CD1-SD 4.46Å; R427-M443 PolarHBondContact NH2-O 3.45Å; R427-M443 VanDerWaalsContact NH2-O 3.15Å; L439-M443 HydrophobicContact CD2-CE 3.86Å; A440-M443 HydrophobicContact CB-CB 4.29Å; A440-M443 WeakPolarHBondContact O-CB 3.36Å; A440-M443 PolarHBondContact O-N 3.36Å; A440-M443 VanDerWaalsContact O-N 3.08Å; E441-M443 PolarHBondContact O-N 2.84Å; M443-Y445 HydrophobicContact CG-CD2 3.97Å; M443-Y445 HydrophobicContact CG-CE2 3.6Å; M443-Y445 HydrophobicContact SD-CE2 4.08Å
444E59.5Low76.1Confident133 Ų13376 Ų7662%0.62142%0.415SS*.  trans-112.188.3169.7-62.7-158.9162.300109.4R427 N442 G446R427-E444 IonicContact CZ-OE1 3.6Å; R427-E444 IonicContact NH1-OE1 3.2Å; R427-E444 PolarHBondContact NH1-OE1 3.08Å; R427-E444 IonicContact NH2-OE1 2.87Å; N442-E444 PolarHBondContact O-N 3.3Å; E444-G446 PolarHBondContact O-N 3.07Å
445Y62Low76.5Confident135 Ų13575 Ų7553%0.52940%0.395SS..  trans-70.484.4170.3-71.3-79.3000109.5P420 M443P420-Y445 WeakPolarHBondContact CB-O 3.4Å; M443-Y445 HydrophobicContact CG-CD2 3.97Å; M443-Y445 HydrophobicContact CG-CE2 3.6Å; M443-Y445 HydrophobicContact SD-CE2 4.08Å
446G65Low77Confident41 Ų4181.4 Ų81.442%0.42342%0.421SS..  trans-78.3174.9175.300000113.4E444E444-G446 PolarHBondContact O-N 3.07Å
447L79.9Confident77.9Confident24 Ų2485.1 Ų85.113%0.12643%0.431CS..  trans-65.2162.2170.5-61.7171.5000111.2Y111 Q113 P290 L297 V451 V452 L455Y111-L447 VanDerWaalsContact O-CD1 3.27Å; Y111-L447 WeakPolarHBondContact O-CD1 3.34Å; Q113-L447 HydrophobicContact CG-CD1 4.47Å; P290-L447 HydrophobicContact CB-CD2 3.93Å; L297-L447 HydrophobicContact CD1-CD1 4.49Å; L297-L447 HydrophobicContact CD2-CD2 4.27Å; L447-V451 HydrophobicContact CB-CB 4.39Å; L447-V451 HydrophobicContact CB-CG1 4.14Å; L447-V451 HydrophobicContact CD1-CG1 4.01Å; L447-V452 HydrophobicContact CB-CG2 3.95Å; L447-L455 HydrophobicContact CD1-CD1 4.27Å
448S84.7Confident78.6Confident22 Ų2278.1 Ų78.115%0.15439%0.394CS..  trans-53.7144.5175.8-156.40000112.1Q292 S450 V451 V452Q292-S448 WeakPolarHBondContact O-CB 3.4Å; Q292-S448 PolarHBondContact O-OG 2.75Å; S448-S450 PolarHBondContact O-N 3.39Å; S448-S450 PolarHBondContact OG-OG 3.01Å; S448-V451 WeakPolarHBondContact O-CB 3.44Å; S448-V451 PolarHBondContact O-N 3.04Å; S448-V452 PolarHBondContact O-N 2.81Å
449Y86.4Confident79.3Confident194 Ų19478.5 Ų78.576%0.76140%0.399SS*.Hα-helixtrans-59.4-35.7-176.4177.8-96.9000112.6V452 S453Y449-V452 PolarHBondContact O-N 2.75Å; Y449-S453 VanDerWaalsContact O-CB 3.28Å; Y449-S453 WeakPolarHBondContact O-CB 3.37Å; Y449-S453 PolarHBondContact O-N 3.48Å
450S88.3Confident79.8Confident52 Ų5284.3 Ų84.336%0.36443%0.426SS..Hα-helixtrans-56-51.6171.2470000111.9S448 S453 Y454S448-S450 PolarHBondContact O-N 3.39Å; S448-S450 PolarHBondContact OG-OG 3.01Å; S450-S453 PolarHBondContact O-N 2.85Å; S450-Y454 WeakPolarHBondContact O-CB 3.17Å; S450-Y454 PolarHBondContact O-N 3.24Å
451V88.1Confident80.7Confident6 Ų685.8 Ų85.84%0.03642%0.423CS..Hα-helixtrans-62-45.3177.8174.80000111.3L297 L447 S448 S453 Y454 L455L297-V451 HydrophobicContact CD1-CG1 3.65Å; L297-V451 HydrophobicContact CD2-CG1 4.11Å; L297-V451 HydrophobicContact CG-CG1 3.65Å; L297-V451 HydrophobicContact CG-CG2 4.37Å; L447-V451 HydrophobicContact CB-CB 4.39Å; L447-V451 HydrophobicContact CB-CG1 4.14Å; L447-V451 HydrophobicContact CD1-CG1 4.01Å; S448-V451 WeakPolarHBondContact O-CB 3.44Å; S448-V451 PolarHBondContact O-N 3.04Å; V451-S453 VanDerWaalsContact C-N 3.33Å; V451-S453 PolarHBondContact O-N 3.01Å; V451-Y454 PolarHBondContact O-N 2.87Å; V451-L455 HydrophobicContact CG1-CD1 3.96Å; V451-L455 HydrophobicContact CG1-CG 4.37Å; V451-L455 WeakPolarHBondContact O-CG 3.2Å; V451-L455 PolarHBondContact O-N 3.25Å
452V87.9Confident82.1Confident48 Ų4878 Ų7829%0.29139%0.386SS..Hα-helixtrans-64.3-38.6178.1176.40000111.6L447 S448 Y449 K456L447-V452 HydrophobicContact CB-CG2 3.95Å; S448-V452 PolarHBondContact O-N 2.81Å; Y449-V452 PolarHBondContact O-N 2.75Å; V452-K456 HydrophobicContact CG1-CD 4.36Å; V452-K456 VanDerWaalsContact O-CG 3.3Å; V452-K456 WeakPolarHBondContact O-CG 3.31Å; V452-K456 PolarHBondContact O-N 3.02Å
453S89.6Confident83.5Confident60 Ų6075.8 Ų75.842%0.4237%0.369SS..Hα-helixtrans-67.1-43.4174.8-170.10000111.5Y449 S450 V451 K456 K457Y449-S453 VanDerWaalsContact O-CB 3.28Å; Y449-S453 WeakPolarHBondContact O-CB 3.37Å; Y449-S453 PolarHBondContact O-N 3.48Å; S450-S453 PolarHBondContact O-N 2.85Å; V451-S453 VanDerWaalsContact C-N 3.33Å; V451-S453 PolarHBondContact O-N 3.01Å; S453-K456 PolarHBondContact O-N 3.45Å; S453-K457 PolarHBondContact O-N 3.22Å
454Y89.8Confident84.7Confident109 Ų10978.2 Ų78.243%0.42738%0.382SS..Hα-helixtrans-59.1-52176.1-175.6-103.4000111.8E156 S450 V451 K456 K457 L458E156-Y454 PolarHBondContact OE1-OH 3.09Å; E156-Y454 VanDerWaalsContact OE1-OH 3.07Å; S450-Y454 WeakPolarHBondContact O-CB 3.17Å; S450-Y454 PolarHBondContact O-N 3.24Å; V451-Y454 PolarHBondContact O-N 2.87Å; Y454-K456 VanDerWaalsContact C-N 3.27Å; Y454-K456 PolarHBondContact O-N 3.38Å; Y454-K457 PolarHBondContact O-N 3.03Å; Y454-L458 HydrophobicContact CE1-CD2 4.41Å; Y454-L458 WeakPolarHBondContact O-CB 3.42Å; Y454-L458 PolarHBondContact O-N 3.49Å
455L88.6Confident86.1Confident37 Ų3775 Ų7519%0.19437%0.367CS..Hα-helixtrans-61.2-33.1179.4-68.1173.7000112.8Y111 L157 L297 L447 V451 L458 S459Y111-L455 HydrophobicContact CD2-CD2 4.17Å; Y111-L455 HydrophobicContact CG-CD2 4.47Å; L157-L455 HydrophobicContact CD1-CD2 3.64Å; L297-L455 HydrophobicContact CD1-CD1 4.4Å; L447-L455 HydrophobicContact CD1-CD1 4.27Å; V451-L455 HydrophobicContact CG1-CD1 3.96Å; V451-L455 HydrophobicContact CG1-CG 4.37Å; V451-L455 WeakPolarHBondContact O-CG 3.2Å; V451-L455 PolarHBondContact O-N 3.25Å; L455-L458 HydrophobicContact CD2-CD2 4.04Å; L455-S459 PolarHBondContact O-N 2.81Å
456K89.1Confident87.3Confident146 Ų14669.9 Ų69.964%0.63535%0.347SS*.Hα-helixtrans-69-49.1173.5-75.3173.4-179.9-179.80112.2V452 S453 Y454 L458 S459 Q460V452-K456 HydrophobicContact CG1-CD 4.36Å; V452-K456 VanDerWaalsContact O-CG 3.3Å; V452-K456 WeakPolarHBondContact O-CG 3.31Å; V452-K456 PolarHBondContact O-N 3.02Å; S453-K456 PolarHBondContact O-N 3.45Å; Y454-K456 VanDerWaalsContact C-N 3.27Å; Y454-K456 PolarHBondContact O-N 3.38Å; K456-L458 VanDerWaalsContact C-N 3.25Å; K456-L458 PolarHBondContact O-N 2.91Å; K456-S459 PolarHBondContact O-N 3.11Å; K456-Q460 PolarHBondContact O-N 3.02Å; K456-Q460 VanDerWaalsContact O-N 3.1Å
457K90.8Very high88.5Confident140 Ų14071.1 Ų71.161%0.60934%0.344SS*.Hα-helixtrans-58.6-41.7175.1-178-177.1176.5-175.30110.9S453 Y454 Q460 Q461S453-K457 PolarHBondContact O-N 3.22Å; Y454-K457 PolarHBondContact O-N 3.03Å; K457-Q460 PolarHBondContact O-N 2.86Å; K457-Q461 WeakPolarHBondContact O-CB 3.23Å; K457-Q461 PolarHBondContact O-N 3.26Å
458L89.3Confident89Confident8 Ų877.7 Ų77.74%0.04237%0.367CS..Hα-helixtrans-58.5-56.4177.9172.764.5000111.4P153 L157 Y454 L455 K456 Q460 Q461 T462P153-L458 HydrophobicContact CB-CD1 3.73Å; L157-L458 HydrophobicContact CD1-CD2 3.65Å; Y454-L458 HydrophobicContact CE1-CD2 4.41Å; Y454-L458 WeakPolarHBondContact O-CB 3.42Å; Y454-L458 PolarHBondContact O-N 3.49Å; L455-L458 HydrophobicContact CD2-CD2 4.04Å; K456-L458 VanDerWaalsContact C-N 3.25Å; K456-L458 PolarHBondContact O-N 2.91Å; L458-Q460 VanDerWaalsContact C-N 3.28Å; L458-Q460 PolarHBondContact O-N 3.32Å; L458-Q461 PolarHBondContact O-N 3.18Å; L458-Q461 VanDerWaalsContact O-N 3.09Å; L458-T462 PolarHBondContact O-N 3.23Å; L458-T462 PolarHBondContact O-OG1 2.85Å
459S88.7Confident89Confident42 Ų4278.2 Ų78.229%0.29437%0.368SS..Hα-helixtrans-58.9-38.4178.4-176.60000112.4L104 L455 K456 T462 K463L104-S459 PolarHBondContact O-OG 3.39Å; L455-S459 PolarHBondContact O-N 2.81Å; K456-S459 PolarHBondContact O-N 3.11Å; S459-T462 PolarHBondContact O-N 3.47Å; S459-K463 WeakPolarHBondContact O-CB 3.25Å; S459-K463 PolarHBondContact O-N 2.7Å
460Q90.6Very high88.9Confident133 Ų13370.3 Ų70.362%0.62134%0.338SS*.Hα-helixtrans-63.4-44173.9-175.8179.1-0.600112.5K456 K457 L458 K463 I464K456-Q460 PolarHBondContact O-N 3.02Å; K456-Q460 VanDerWaalsContact O-N 3.1Å; K457-Q460 PolarHBondContact O-N 2.86Å; L458-Q460 VanDerWaalsContact C-N 3.28Å; L458-Q460 PolarHBondContact O-N 3.32Å; Q460-K463 PolarHBondContact O-N 3.07Å; Q460-I464 WeakPolarHBondContact O-CG1 3.42Å; Q460-I464 PolarHBondContact O-N 2.92Å
461Q91.1Very high88.8Confident93 Ų9370.5 Ų70.544%0.43534%0.343SS..Hα-helixtrans-65.5-44.2177-174.8177.4-18.900111.4P153 K457 L458 K463 I464 E465P153-Q461 HydrophobicContact CB-CG 4.3Å; P153-Q461 HydrophobicContact CG-CG 4.18Å; K457-Q461 WeakPolarHBondContact O-CB 3.23Å; K457-Q461 PolarHBondContact O-N 3.26Å; L458-Q461 PolarHBondContact O-N 3.18Å; L458-Q461 VanDerWaalsContact O-N 3.09Å; Q461-K463 VanDerWaalsContact C-N 3.28Å; Q461-K463 PolarHBondContact O-N 3.44Å; Q461-I464 PolarHBondContact O-N 2.99Å; Q461-I464 VanDerWaalsContact O-N 3.16Å; Q461-E465 PolarHBondContact O-N 3.44Å; Q461-E465 VanDerWaalsContact O-N 3.13Å
462T88.6Confident88.5Confident0 Ų071.8 Ų71.80%035%0.352CS..Hα-helixtrans-58.6-39.7174.9-51.20000111.5L101 L104 V105 L458 S459 I464 E465 Y466L101-T462 HydrophobicContact CB-CG2 4.47Å; L101-T462 HydrophobicContact CD2-CG2 3.67Å; L101-T462 WeakPolarHBondContact O-CG2 3.44Å; L104-T462 HydrophobicContact CB-CG2 3.57Å; L104-T462 HydrophobicContact CD1-CG2 4Å; L104-T462 HydrophobicContact CG-CG2 4.42Å; V105-T462 HydrophobicContact CG2-CG2 4.1Å; L458-T462 PolarHBondContact O-N 3.23Å; L458-T462 PolarHBondContact O-OG1 2.85Å; S459-T462 PolarHBondContact O-N 3.47Å; T462-I464 PolarHBondContact O-N 3.21Å; T462-E465 PolarHBondContact O-N 2.89Å; T462-Y466 VanDerWaalsContact O-CB 3.24Å; T462-Y466 WeakPolarHBondContact O-CB 3.19Å; T462-Y466 PolarHBondContact O-N 2.87Å
463K90.5Very high88.1Confident115 Ų11570.4 Ų70.450%0.534%0.343SS..Hα-helixtrans-61.6-40.9175.9-173.2178.9176.4-178.10112.9V105 S459 Q460 Q461 Y466 D467V105-K463 HydrophobicContact CG1-CB 4.46Å; V105-K463 HydrophobicContact CG1-CG 4.23Å; V105-K463 HydrophobicContact CG2-CB 3.94Å; V105-K463 HydrophobicContact CG2-CG 4.43Å; S459-K463 WeakPolarHBondContact O-CB 3.25Å; S459-K463 PolarHBondContact O-N 2.7Å; Q460-K463 PolarHBondContact O-N 3.07Å; Q461-K463 VanDerWaalsContact C-N 3.28Å; Q461-K463 PolarHBondContact O-N 3.44Å; K463-Y466 PolarHBondContact O-N 3.29Å; K463-D467 PolarHBondContact O-N 2.86Å
464I91.3Very high87Confident105 Ų10570.6 Ų70.654%0.53836%0.355SS..Hα-helixtrans-64.4-46.6178.3-66.3164.8000110.5Q460 Q461 T462 R468Q460-I464 WeakPolarHBondContact O-CG1 3.42Å; Q460-I464 PolarHBondContact O-N 2.92Å; Q461-I464 PolarHBondContact O-N 2.99Å; Q461-I464 VanDerWaalsContact O-N 3.16Å; T462-I464 PolarHBondContact O-N 3.21Å; I464-R468 VanDerWaalsContact O-CB 3.27Å; I464-R468 WeakPolarHBondContact O-CB 3.33Å; I464-R468 PolarHBondContact O-N 2.77Å
465E88.1Confident86.1Confident65 Ų6572 Ų7230%0.30436%0.363SS..Hα-helixtrans-69.1-32.4177.4-67.5-59.7154.900112.7Q461 T462 R468 L469Q461-E465 PolarHBondContact O-N 3.44Å; Q461-E465 VanDerWaalsContact O-N 3.13Å; T462-E465 PolarHBondContact O-N 2.89Å; E465-R468 VanDerWaalsContact CD-NH1 3.34Å; E465-R468 PolarHBondContact O-N 2.95Å; E465-R468 IonicContact OE1-NH1 3.48Å; E465-R468 PolarHBondContact OE1-NH1 2.95Å; E465-R468 WeakPolarHBondContact OE2-CD 3.3Å; E465-R468 IonicContact OE2-CZ 3.79Å; E465-R468 IonicContact OE2-NE 3.73Å; E465-R468 IonicContact OE2-NH1 2.78Å; E465-R468 PolarHBondContact OE2-NH1 3.42Å; E465-L469 VanDerWaalsContact O-CB 3.27Å; E465-L469 WeakPolarHBondContact O-CB 3.45Å; E465-L469 PolarHBondContact O-N 2.81Å
466Y87.9Confident84.9Confident28 Ų2879.3 Ų79.311%0.1139%0.393CS..Hα-helixtrans-62.9-50.2173171.5-97.5000112.3W66 L101 N102 V105 T462 K463 R468 L469 I470W66-Y466 HydrophobicContact CB-CE2 4.41Å; W66-Y466 AromaticContact CD1-CE2 3.62Å; W66-Y466 HydrophobicContact CD2-CE2 4.49Å; W66-Y466 AromaticContact CG-CE2 3.94Å; W66-Y466 HydrophobicContact CG-CE2 3.94Å; L101-Y466 HydrophobicContact CB-CD2 4.19Å; N102-Y466 HydrophobicContact CB-CE2 4.04Å; N102-Y466 PolarHBondContact OD1-OH 3.49Å; V105-Y466 HydrophobicContact CG2-CG 4.31Å; T462-Y466 VanDerWaalsContact O-CB 3.24Å; T462-Y466 WeakPolarHBondContact O-CB 3.19Å; T462-Y466 PolarHBondContact O-N 2.87Å; K463-Y466 PolarHBondContact O-N 3.29Å; Y466-R468 VanDerWaalsContact C-N 3.33Å; Y466-R468 PolarHBondContact O-N 2.79Å; Y466-L469 PolarHBondContact O-N 2.86Å; Y466-I470 HydrophobicContact CD1-CD1 4.03Å; Y466-I470 HydrophobicContact CD2-CD1 4.09Å; Y466-I470 HydrophobicContact CE1-CD1 3.56Å; Y466-I470 HydrophobicContact CE2-CD1 3.62Å; Y466-I470 HydrophobicContact CG-CD1 4.28Å; Y466-I470 WeakPolarHBondContact O-CG1 3.48Å; Y466-I470 PolarHBondContact O-N 3.05Å
467D89.9Confident83.6Confident67 Ų6777.1 Ų77.136%0.35839%0.388SS..Hα-helixtrans-68.8-31.8177-82.9-46.9000111.9K67 K463 A471K67-D467 IonicContact NZ-OD1 3.4Å; K67-D467 PolarHBondContact NZ-OD1 2.98Å; K463-D467 PolarHBondContact O-N 2.86Å; D467-A471 WeakPolarHBondContact O-CB 3.3Å; D467-A471 PolarHBondContact O-N 2.94Å
468R88.9Confident82Confident161 Ų16174.7 Ų74.761%0.60839%0.394SS*.Hα-helixtrans-64.1-46.5171.9-175-160.4-171.6174.7-0.4112.5I464 E465 Y466 A471 S472I464-R468 VanDerWaalsContact O-CB 3.27Å; I464-R468 WeakPolarHBondContact O-CB 3.33Å; I464-R468 PolarHBondContact O-N 2.77Å; E465-R468 VanDerWaalsContact CD-NH1 3.34Å; E465-R468 PolarHBondContact O-N 2.95Å; E465-R468 IonicContact OE1-NH1 3.48Å; E465-R468 PolarHBondContact OE1-NH1 2.95Å; E465-R468 WeakPolarHBondContact OE2-CD 3.3Å; E465-R468 IonicContact OE2-CZ 3.79Å; E465-R468 IonicContact OE2-NE 3.73Å; E465-R468 IonicContact OE2-NH1 2.78Å; E465-R468 PolarHBondContact OE2-NH1 3.42Å; Y466-R468 VanDerWaalsContact C-N 3.33Å; Y466-R468 PolarHBondContact O-N 2.79Å; R468-A471 CarbonylContact O-C 3.51Å; R468-A471 PolarHBondContact O-N 2.9Å; R468-S472 PolarHBondContact O-N 3.39Å
469L85.3Confident80.5Confident33 Ų3379.5 Ų79.517%0.17342%0.419CS..Hα-helixtrans-62.5-44.1177.5-178.863.7000110.7P59 I62 L98 L101 E465 Y466 A471 S472 I473P59-L469 HydrophobicContact CB-CD1 4.21Å; I62-L469 HydrophobicContact CD1-CD1 4.11Å; I62-L469 HydrophobicContact CD1-CD2 4.24Å; I62-L469 HydrophobicContact CD1-CG 4.49Å; L98-L469 HydrophobicContact CD1-CD2 4.03Å; L101-L469 HydrophobicContact CD1-CD2 3.6Å; E465-L469 VanDerWaalsContact O-CB 3.27Å; E465-L469 WeakPolarHBondContact O-CB 3.45Å; E465-L469 PolarHBondContact O-N 2.81Å; Y466-L469 PolarHBondContact O-N 2.86Å; L469-A471 VanDerWaalsContact C-N 3.26Å; L469-A471 PolarHBondContact O-N 3.12Å; L469-S472 PolarHBondContact O-N 3.13Å; L469-S472 PolarHBondContact O-OG 2.8Å; L469-I473 WeakPolarHBondContact O-CG1 3.34Å; L469-I473 PolarHBondContact O-N 2.77Å; L469-I473 VanDerWaalsContact O-N 3.08Å
470I85Confident79Confident28 Ų2883.6 Ų83.614%0.14443%0.434CS..Hα-helixtrans-64.7-33.6176-70.3172.3000111.7W66 K67 Y466 S472W66-I470 HydrophobicContact CB-CD1 4.03Å; K67-I470 HydrophobicContact CB-CG2 4.5Å; K67-I470 HydrophobicContact CD-CD1 4.41Å; K67-I470 HydrophobicContact CD-CG2 3.68Å; K67-I470 HydrophobicContact CG-CD1 4.32Å; K67-I470 HydrophobicContact CG-CG2 4.12Å; Y466-I470 HydrophobicContact CD1-CD1 4.03Å; Y466-I470 HydrophobicContact CD2-CD1 4.09Å; Y466-I470 HydrophobicContact CE1-CD1 3.56Å; Y466-I470 HydrophobicContact CE2-CD1 3.62Å; Y466-I470 HydrophobicContact CG-CD1 4.28Å; Y466-I470 WeakPolarHBondContact O-CG1 3.48Å; Y466-I470 PolarHBondContact O-N 3.05Å; I470-S472 PolarHBondContact O-N 2.89Å
471A85.3Confident77.4Confident57 Ų5780.8 Ų80.847%0.47143%0.427SS..THydrogen-bonded Turntrans-75.1-1.6172.200000114.4D467 R468 L469 K475D467-A471 WeakPolarHBondContact O-CB 3.3Å; D467-A471 PolarHBondContact O-N 2.94Å; R468-A471 CarbonylContact O-C 3.51Å; R468-A471 PolarHBondContact O-N 2.9Å; L469-A471 VanDerWaalsContact C-N 3.26Å; L469-A471 PolarHBondContact O-N 3.12Å; A471-K475 WeakPolarHBondContact O-CE 3.47Å; A471-K475 PolarHBondContact O-NZ 2.84Å
472S81.8Confident76.1Confident32 Ų3277 Ų7722%0.22441%0.412CS..THydrogen-bonded Turntrans-108.2-26.5172.769.80000114.1P59 R468 L469 I470 K475P59-S472 VanDerWaalsContact CB-OG 3.31Å; P59-S472 WeakPolarHBondContact CB-OG 3.16Å; R468-S472 PolarHBondContact O-N 3.39Å; L469-S472 PolarHBondContact O-N 3.13Å; L469-S472 PolarHBondContact O-OG 2.8Å; I470-S472 PolarHBondContact O-N 2.89Å; S472-K475 WeakPolarHBondContact O-CB 3.27Å; S472-K475 PolarHBondContact O-N 3.36Å
473I80.3Confident75.5Confident19 Ų1981.9 Ų81.910%0.09744%0.438CS..THydrogen-bonded Turntrans-54.8142.4171.7-67.4167.6000110.4I62 L469 K475I62-I473 HydrophobicContact CB-CD1 4.37Å; I62-I473 HydrophobicContact CB-CG1 4.16Å; I62-I473 HydrophobicContact CG2-CD1 3.6Å; I62-I473 HydrophobicContact CG2-CG1 3.85Å; L469-I473 WeakPolarHBondContact O-CG1 3.34Å; L469-I473 PolarHBondContact O-N 2.77Å; L469-I473 VanDerWaalsContact O-N 3.08Å; I473-K475 PolarHBondContact O-N 3Å; I473-K475 VanDerWaalsContact O-N 3.14Å
474G67.3Low74.7Confident65 Ų6583.2 Ų83.267%0.6744%0.444SS*.THydrogen-bonded Turntrans75.3-11.4-179.200000115.6K476G474-K476 PolarHBondContact O-N 3.21Å
475K70.9Confident73.8Confident137 Ų13780.8 Ų80.860%0.59643%0.434SS*.  trans-73.2110169.7-69.5179.3177159.30109.3F60 A471 S472 I473F60-K475 WeakPolarHBondContact CE1-O 3.46Å; A471-K475 WeakPolarHBondContact O-CE 3.47Å; A471-K475 PolarHBondContact O-NZ 2.84Å; S472-K475 WeakPolarHBondContact O-CB 3.27Å; S472-K475 PolarHBondContact O-N 3.36Å; I473-K475 PolarHBondContact O-N 3Å; I473-K475 VanDerWaalsContact O-N 3.14Å
476K62.4Low72.6Confident191 Ų19187.7 Ų87.783%0.8346%0.457SS*.PPolyproline II helixtrans-57.8143.2170.7-66.1-174.4176.9-176.20109.6G474 A478G474-K476 PolarHBondContact O-N 3.21Å; K476-A478 PolarHBondContact O-N 2.95Å
477L60.9Low71.2Confident101 Ų10193.3 Ų93.353%0.52948%0.478SS..PPolyproline II helixtrans-49.4133.9169.7-155.789.9000108.7F60 L479F60-L477 HydrophobicContact CD1-CD1 4.15Å; F60-L477 HydrophobicContact CD2-CD1 3.77Å; F60-L477 HydrophobicContact CE1-CD1 3.96Å; F60-L477 HydrophobicContact CE2-CD1 3.56Å; F60-L477 HydrophobicContact CG-CD1 4.07Å; F60-L477 HydrophobicContact CZ-CD1 3.66Å; L477-L479 PolarHBondContact O-N 3.02Å
478A57.1Low69.7Low88 Ų8899.7 Ų99.773%0.72750%0.497SS*.PPolyproline II helixtrans-57.8129.6159.700000106.4K476 E480K476-A478 PolarHBondContact O-N 2.95Å; A478-E480 PolarHBondContact O-N 3.37Å; A478-E480 VanDerWaalsContact O-N 3.12Å
479L58.9Low68.2Low109 Ų10995.2 Ų95.257%0.57150%0.501SS*.PPolyproline II helixtrans-55.3124.4179.2-79.9138.9000108.5L477 N532L477-L479 PolarHBondContact O-N 3.02Å; L479-N532 HydrophobicContact CD1-CB 4.43Å; L479-N532 WeakPolarHBondContact CD1-ND2 3.18Å
480E57.4Low66.9Low128 Ų12897.4 Ų97.460%0.59853%0.531SS*.  trans-43.8134169-91.3-67.8124.100108.4A478 G482A478-E480 PolarHBondContact O-N 3.37Å; A478-E480 VanDerWaalsContact O-N 3.12Å; E480-G482 PolarHBondContact O-N 2.7Å
481P56.1Low65.3Low74 Ų7499 Ų9948%0.48155%0.554SS.*  trans-73.370.1-17331.1-36.2000110.1H527P481-H527 WeakPolarHBondContact O-CB 3.47Å; P481-H527 PolarHBondContact O-CD2 2.95Å
482G64.1Low63.7Low13 Ų13102.3 Ų102.313%0.13456%0.563CS.*SBendtrans62.1-176.1-179.100000115.7E480 L528E480-G482 PolarHBondContact O-N 2.7Å; G482-L528 CarbonylContact C-O 3.37Å; G482-L528 WeakPolarHBondContact CA-O 3.32Å
483I75.3Confident62.4Low103 Ų103103.5 Ų103.553%0.52857%0.572SS.*EExtended strand (participates in β ladder)trans-82.9119.1168-60.7172000107.9V485 H527 L528 L530I483-V485 PolarHBondContact O-N 3.37Å; I483-V485 VanDerWaalsContact O-N 3.17Å; I483-H527 WeakPolarHBondContact O-CA 3.01Å; I483-L528 HydrophobicContact CB-CB 4.37Å; I483-L528 PolarHBondContact N-O 3.09Å; I483-L528 PolarHBondContact O-N 2.92Å; I483-L530 HydrophobicContact CD1-CD2 3.99Å; I483-L530 HydrophobicContact CG1-CD2 3.97Å
484K75.2Confident61.3Low144 Ų144108.3 Ų108.363%0.62660%0.597SS**EExtended strand (participates in β ladder)trans-61112.5172.6-80.4171.6179.5161.50110.4R486 H527K484-R486 PolarHBondContact O-N 2.79Å; K484-H527 WeakPolarHBondContact CE-NE2 3.45Å; K484-H527 WeakPolarHBondContact CG-CD2 3.27Å; K484-H527 VanDerWaalsContact CG-NE2 3.27Å; K484-H527 WeakPolarHBondContact CG-NE2 2.97Å
485V71Confident60.6Low54 Ų54108.1 Ų108.133%0.32759%0.589SS.*  trans-77.896.7176.8179.80000108.7I483 W487 F526 L528I483-V485 PolarHBondContact O-N 3.37Å; I483-V485 VanDerWaalsContact O-N 3.17Å; V485-W487 PolarHBondContact O-N 2.94Å; V485-F526 HydrophobicContact CB-CD1 4.15Å; V485-F526 HydrophobicContact CG2-CD1 3.79Å; V485-F526 HydrophobicContact CG2-CE1 4.36Å; V485-F526 PolarHBondContact N-O 2.9Å; V485-L528 HydrophobicContact CG2-CD1 3.64Å; V485-L528 HydrophobicContact CG2-CG 3.68Å
486R62.7Low59.8Low210 Ų210107.3 Ų107.379%0.79259%0.587SS**  trans-75.391.5176.9-168.4178.3-167.6173.65.3110K484 R488K484-R486 PolarHBondContact O-N 2.79Å; R486-R488 PolarHBondContact O-N 3.35Å
487W59.9Low59.8Low145 Ų145104.5 Ų104.555%0.54957%0.572SS.*  trans-58.6101.1171.2-172.3-99.8000110.5V485V485-W487 PolarHBondContact O-N 2.94Å
488R57.3Low59.8Low201 Ų201110 Ų11076%0.75859%0.585SS**  trans-82.2107.2159.2-68.7-170-174.1-9511.4106.2R486 G490R486-R488 PolarHBondContact O-N 3.35Å; R488-G490 PolarHBondContact O-N 2.83Å; R488-G490 VanDerWaalsContact O-N 3.1Å
489G58.6Low60.3Low68 Ų68110.4 Ų110.470%0.70158%0.575SS**SBendtrans-61.6112.7176.700000110.3
490G57.8Low60.6Low78 Ų78109.8 Ų109.880%0.80457%0.568SS**  trans152.870.2-171.500000111.8R488R488-G490 PolarHBondContact O-N 2.83Å; R488-G490 VanDerWaalsContact O-N 3.1Å
491G50.4Low61.1Low61 Ų61106.4 Ų106.463%0.62955%0.554SS**  trans174.799.9-18000000111S493G491-S493 PolarHBondContact O-N 3.01Å
492I51.3Low61.7Low127 Ų127109.2 Ų109.265%0.65156%0.56SS**  trans-59.7123.8177.1-58.9166.9000108.1Q496I492-Q496 HydrophobicContact CG2-CB 3.69Å
493S56.3Low61.8Low58 Ų58114.6 Ų114.641%0.40658%0.582SS.*  trans-57.4144.1176.7179.30000109.8G491 A495 Q496 R497G491-S493 PolarHBondContact O-N 3.01Å; S493-A495 PolarHBondContact O-N 2.67Å; S493-A495 VanDerWaalsContact O-N 3.14Å; S493-Q496 WeakPolarHBondContact O-CA 3.17Å; S493-Q496 WeakPolarHBondContact O-CB 3.27Å; S493-Q496 PolarHBondContact O-N 3.08Å; S493-R497 PolarHBondContact O-N 2.86Å
494L55.4Low61.3Low120 Ų120112.7 Ų112.763%0.62857%0.573SS**G310 helixtrans-57.8-30.8177.1-73.1172.8000111.9Q496 R497 F500L494-Q496 PolarHBondContact O-N 3.03Å; L494-R497 PolarHBondContact O-N 3.04Å; L494-F500 WeakPolarHBondContact O-CD1 3.12Å
495A54.2Low61Low61 Ų61109.8 Ų109.850%0.50456%0.561SS.*G310 helixtrans-65.7-14.7172.900000114.6S493 I501S493-A495 PolarHBondContact O-N 2.67Å; S493-A495 VanDerWaalsContact O-N 3.14Å; A495-I501 WeakPolarHBondContact O-CG1 3.49Å
496Q53.3Low60.7Low119 Ų119111.8 Ų111.856%0.55658%0.577SS**G310 helixtrans-104.4-1.5179.7-68.9173-31.400113.2I492 S493 L494 R498I492-Q496 HydrophobicContact CG2-CB 3.69Å; S493-Q496 WeakPolarHBondContact O-CA 3.17Å; S493-Q496 WeakPolarHBondContact O-CB 3.27Å; S493-Q496 PolarHBondContact O-N 3.08Å; L494-Q496 PolarHBondContact O-N 3.03Å; Q496-R498 PolarHBondContact O-N 3.06Å
497R62Low60.8Low133 Ų133108.6 Ų108.650%0.50258%0.575SS.*  trans-69.7127171.9-72.6-167.4177-159.20.6109.9S493 L494 D499 F500 I501S493-R497 PolarHBondContact O-N 2.86Å; L494-R497 PolarHBondContact O-N 3.04Å; R497-D499 VanDerWaalsContact C-N 3.28Å; R497-D499 PolarHBondContact O-N 2.95Å; R497-F500 HydrophobicContact CB-CB 4.18Å; R497-F500 PolarHBondContact O-N 2.91Å; R497-F500 VanDerWaalsContact O-N 3.09Å; R497-I501 WeakPolarHBondContact O-CG1 3.28Å; R497-I501 PolarHBondContact O-N 3.47Å
498R61.4Low61.2Low215 Ų215106 Ų10681%0.81158%0.576SS**Hα-helixtrans-54.9-45.5-179.8-72-177.1174.1177.2-2111.5Q496 F500 I501 Q502Q496-R498 PolarHBondContact O-N 3.06Å; R498-F500 VanDerWaalsContact C-N 3.31Å; R498-F500 PolarHBondContact O-N 3.21Å; R498-I501 PolarHBondContact O-N 2.82Å; R498-Q502 VanDerWaalsContact O-CB 3.26Å; R498-Q502 WeakPolarHBondContact O-CB 3.45Å; R498-Q502 PolarHBondContact O-N 2.92Å
499D66.8Low61.3Low98 Ų9899.9 Ų99.952%0.52458%0.575SS.*Hα-helixtrans-55.4-41.7177.32.9-57.2000112.5R497 Q503R497-D499 VanDerWaalsContact C-N 3.28Å; R497-D499 PolarHBondContact O-N 2.95Å; D499-Q503 WeakPolarHBondContact O-CG 3.27Å; D499-Q503 PolarHBondContact O-N 2.86Å
500F66.8Low61.4Low95 Ų95104.3 Ų104.342%0.41758%0.578SS.*Hα-helixtrans-74.3-39.9178-176.5-109.2000112.6L494 R497 R498 Q502 Q503 L504L494-F500 WeakPolarHBondContact O-CD1 3.12Å; R497-F500 HydrophobicContact CB-CB 4.18Å; R497-F500 PolarHBondContact O-N 2.91Å; R497-F500 VanDerWaalsContact O-N 3.09Å; R498-F500 VanDerWaalsContact C-N 3.31Å; R498-F500 PolarHBondContact O-N 3.21Å; F500-Q502 VanDerWaalsContact C-N 3.31Å; F500-Q502 PolarHBondContact O-N 3.07Å; F500-Q503 PolarHBondContact O-N 3.46Å; F500-L504 HydrophobicContact CD1-CD1 3.97Å; F500-L504 HydrophobicContact CE1-CD1 3.51Å; F500-L504 HydrophobicContact CE1-CG 4.46Å; F500-L504 HydrophobicContact CZ-CD1 3.88Å; F500-L504 HydrophobicContact CZ-CG 4.45Å; F500-L504 PolarHBondContact O-N 2.9Å
501I67.8Low61.1Low58 Ų58103.5 Ų103.530%0.29756%0.563SS.*Hα-helixtrans-62.4-41173.6-64.4166.3000110.4A495 R497 R498 L504 Q505A495-I501 WeakPolarHBondContact O-CG1 3.49Å; R497-I501 WeakPolarHBondContact O-CG1 3.28Å; R497-I501 PolarHBondContact O-N 3.47Å; R498-I501 PolarHBondContact O-N 2.82Å; I501-L504 PolarHBondContact O-N 3.14Å; I501-Q505 WeakPolarHBondContact O-CG 3.35Å; I501-Q505 PolarHBondContact O-N 3.05Å
502Q67.1Low61.1Low133 Ų133104.3 Ų104.362%0.62156%0.557SS**Hα-helixtrans-69.8-37.6179.6-165.9170.228.400111.8R498 F500 S506R498-Q502 VanDerWaalsContact O-CB 3.26Å; R498-Q502 WeakPolarHBondContact O-CB 3.45Å; R498-Q502 PolarHBondContact O-N 2.92Å; F500-Q502 VanDerWaalsContact C-N 3.31Å; F500-Q502 PolarHBondContact O-N 3.07Å; Q502-S506 PolarHBondContact O-N 3.29Å
503Q67.3Low61.2Low126 Ų126102 Ų10259%0.58956%0.558SS**Hα-helixtrans-63.1-43.8169.4-79.3-174.7-30.500112.2D499 F500 S506 L507D499-Q503 WeakPolarHBondContact O-CG 3.27Å; D499-Q503 PolarHBondContact O-N 2.86Å; F500-Q503 PolarHBondContact O-N 3.46Å; Q503-S506 PolarHBondContact O-N 3.36Å; Q503-S506 PolarHBondContact O-OG 3.4Å; Q503-L507 WeakPolarHBondContact O-CG 3.35Å; Q503-L507 PolarHBondContact O-N 3.09Å
504L65.7Low60.9Low63 Ų63105.2 Ų105.233%0.3358%0.577SS.*Hα-helixtrans-60.5-49.3174.8-84.8166.1000111.9F500 I501 S506 L507 T508F500-L504 HydrophobicContact CD1-CD1 3.97Å; F500-L504 HydrophobicContact CE1-CD1 3.51Å; F500-L504 HydrophobicContact CE1-CG 4.46Å; F500-L504 HydrophobicContact CZ-CD1 3.88Å; F500-L504 HydrophobicContact CZ-CG 4.45Å; F500-L504 PolarHBondContact O-N 2.9Å; I501-L504 PolarHBondContact O-N 3.14Å; L504-S506 PolarHBondContact O-N 3.15Å; L504-L507 WeakPolarHBondContact O-CA 3.37Å; L504-L507 PolarHBondContact O-N 3.41Å; L504-T508 PolarHBondContact O-N 3.43Å; L504-T508 PolarHBondContact O-OG1 3.14Å
505Q67.1Low60.6Low82 Ų82105.4 Ų105.438%0.38358%0.583SS.*Hα-helixtrans-53.4-41.4174.5-77.4170.9-15.500112.4I501 L507 G509 A511I501-Q505 WeakPolarHBondContact O-CG 3.35Å; I501-Q505 PolarHBondContact O-N 3.05Å; Q505-L507 PolarHBondContact O-N 2.91Å; Q505-G509 PolarHBondContact O-N 2.92Å; Q505-A511 HydrophobicContact CG-CB 4.13Å; Q505-A511 VanDerWaalsContact NE2-CB 3.32Å
506S65Low60.3Low96 Ų96110.1 Ų110.167%0.67160%0.599SS**Hα-helixtrans-67.6-17177.576.80000114.6Q502 Q503 L504Q502-S506 PolarHBondContact O-N 3.29Å; Q503-S506 PolarHBondContact O-N 3.36Å; Q503-S506 PolarHBondContact O-OG 3.4Å; L504-S506 PolarHBondContact O-N 3.15Å
507L65.6Low60.1Low143 Ų143113.5 Ų113.575%0.74962%0.615SS**Hα-helixtrans-103.9-31.2-179.3-71.7167000113.4Q503 L504 Q505Q503-L507 WeakPolarHBondContact O-CG 3.35Å; Q503-L507 PolarHBondContact O-N 3.09Å; L504-L507 WeakPolarHBondContact O-CA 3.37Å; L504-L507 PolarHBondContact O-N 3.41Å; Q505-L507 PolarHBondContact O-N 2.91Å
508T68Low59.8Low92 Ų92112.4 Ų112.456%0.56462%0.618SS**Hα-helixtrans-110-9.8-174.657.20000114.8L504 E510L504-T508 PolarHBondContact O-N 3.43Å; L504-T508 PolarHBondContact O-OG1 3.14Å; T508-E510 PolarHBondContact O-N 3.45Å; T508-E510 PolarHBondContact OG1-O 2.84Å
509G60.5Low59.3Low72 Ų72105.2 Ų105.274%0.74260%0.596SS**SBendtrans75.4-40.2176.500000114.8Q505Q505-G509 PolarHBondContact O-N 2.92Å
510E60.2Low58.8Low161 Ų161104.6 Ų104.675%0.75260%0.597SS**SBendtrans-88.8143.2168.3-67.9-165.8147.100111.8T508T508-E510 PolarHBondContact O-N 3.45Å; T508-E510 PolarHBondContact OG1-O 2.84Å
511A50Low58.3Low60 Ų60107.5 Ų107.550%0.49661%0.61SS.*PPolyproline II helixtrans-76.4130167.700000109.6Q505 A513Q505-A511 HydrophobicContact CG-CB 4.13Å; Q505-A511 VanDerWaalsContact NE2-CB 3.32Å; A511-A513 PolarHBondContact O-N 3.37Å
512P52.1Low57.9Low78 Ų78111.1 Ų111.151%0.50663%0.625SS.*PPolyproline II helixtrans-57.5124.8167.2-20.932.2000109.1
513A52.7Low57.6Low80 Ų80107.6 Ų107.666%0.66161%0.608SS**PPolyproline II helixtrans-54.3141.4164.700000108.3A511 T515A511-A513 PolarHBondContact O-N 3.37Å; A513-T515 PolarHBondContact O-N 3.2Å
514P50.6Low57.2Low125 Ų125109.7 Ų109.781%0.81262%0.618SS**  trans-58.3111.6-179.523.8-32.9000108.7L516P514-L516 PolarHBondContact O-N 3.03Å
515T48.9Very low57.4Low123 Ų123109.2 Ų109.276%0.75563%0.628SS**  trans-51.1132.717250.60000107.9A513 E517A513-T515 PolarHBondContact O-N 3.2Å; T515-E517 PolarHBondContact O-N 2.97Å
516L48.5Very low57.9Low160 Ų160110 Ų11084%0.83863%0.631SS**  trans-37.9135.6-176.3-87.170.5000110.9P514 L518P514-L516 PolarHBondContact O-N 3.03Å; L516-L518 PolarHBondContact O-N 3.08Å
517E48.1Very low58.5Low191 Ų191108.8 Ų108.889%0.89361%0.614SS**  trans-47.4110178.4-66.8-170.8124.500109.5T515 N519T515-E517 PolarHBondContact O-N 2.97Å; E517-N519 VanDerWaalsContact C-N 3.28Å; E517-N519 PolarHBondContact O-N 2.98Å
518L55.2Low59.2Low109 Ų109106.5 Ų106.557%0.57160%0.602SS**  trans-62.695.3179-80169.4000107.6L516 P520 F523L516-L518 PolarHBondContact O-N 3.08Å; L518-P520 WeakPolarHBondContact O-CD 3.4Å; L518-P520 VanDerWaalsContact O-N 3.09Å; L518-F523 HydrophobicContact CB-CE2 4.45Å
519N51.5Low59.6Low65 Ų65106.7 Ų106.735%0.34861%0.613SS.*  trans-60.9115.9-166.7174.70.7000108.1E517 K521 E522E517-N519 VanDerWaalsContact C-N 3.28Å; E517-N519 PolarHBondContact O-N 2.98Å; N519-K521 PolarHBondContact O-N 3.18Å; N519-K521 WeakPolarHBondContact OD1-CB 3.23Å; N519-K521 PolarHBondContact OD1-N 3.34Å; N519-E522 HydrophobicContact CB-CG 4.01Å; N519-E522 WeakPolarHBondContact O-CB 3.32Å; N519-E522 PolarHBondContact O-N 3.42Å
520P55.6Low60.4Low85 Ų85107.9 Ų107.955%0.55260%0.602SS**THydrogen-bonded Turntrans-64.3-9.3-17224.3-33.8000113.3L518L518-P520 WeakPolarHBondContact O-CD 3.4Å; L518-P520 VanDerWaalsContact O-N 3.09Å
521K57.7Low61.3Low155 Ų155107.5 Ų107.567%0.67460%0.604SS**THydrogen-bonded Turntrans-77-25.9171.1-58.9177.2-179.6176.50113.4N519 F523 Q524N519-K521 PolarHBondContact O-N 3.18Å; N519-K521 WeakPolarHBondContact OD1-CB 3.23Å; N519-K521 PolarHBondContact OD1-N 3.34Å; K521-F523 VanDerWaalsContact C-N 3.31Å; K521-F523 PolarHBondContact O-N 2.72Å; K521-Q524 VanDerWaalsContact O-CB 3.23Å; K521-Q524 WeakPolarHBondContact O-CB 3.48Å; K521-Q524 PolarHBondContact O-N 2.99Å; K521-Q524 VanDerWaalsContact O-N 3.13Å
522E58.8Low62.5Low134 Ų134107.4 Ų107.463%0.62660%0.595SS**THydrogen-bonded Turntrans-68.4-29.9-178.9-70.3175.5176.700112.7N519 Q524N519-E522 HydrophobicContact CB-CG 4.01Å; N519-E522 WeakPolarHBondContact O-CB 3.32Å; N519-E522 PolarHBondContact O-N 3.42Å; E522-Q524 VanDerWaalsContact C-N 3.26Å; E522-Q524 PolarHBondContact O-N 3.07Å
523F60.7Low63.3Low60 Ų60113.1 Ų113.126%0.26361%0.612SS.*THydrogen-bonded Turntrans-79.9-5.9174.9-65.9-82.4000113.4L518 K521 G525 F526L518-F523 HydrophobicContact CB-CE2 4.45Å; K521-F523 VanDerWaalsContact C-N 3.31Å; K521-F523 PolarHBondContact O-N 2.72Å; F523-G525 VanDerWaalsContact C-N 3.26Å; F523-G525 PolarHBondContact O-N 3.48Å; F523-F526 HydrophobicContact CD1-CB 4.39Å; F523-F526 PolarHBondContact O-N 3.47Å
524Q59.8Low64Low170 Ų170112.2 Ų112.279%0.79461%0.61SS**THydrogen-bonded Turntrans-78.772.9-174.5-164170.98.600111.6K521 E522K521-Q524 VanDerWaalsContact O-CB 3.23Å; K521-Q524 WeakPolarHBondContact O-CB 3.48Å; K521-Q524 PolarHBondContact O-N 2.99Å; K521-Q524 VanDerWaalsContact O-N 3.13Å; E522-Q524 VanDerWaalsContact C-N 3.26Å; E522-Q524 PolarHBondContact O-N 3.07Å
525G69.9Low65.1Low52 Ų52112.3 Ų112.354%0.53660%0.604SS.*THydrogen-bonded Turntrans126.815.4-168.500000113.4F523 H527F523-G525 VanDerWaalsContact C-N 3.26Å; F523-G525 PolarHBondContact O-N 3.48Å; G525-H527 PolarHBondContact O-CE1 3.1Å; G525-H527 PolarHBondContact O-ND1 2.96Å
526F76.3Confident66.3Low100 Ų100113 Ų11344%0.43960%0.596SS.*  trans-73.3133.6172.2-170.2-92.3000111.2V485 F523 L528V485-F526 HydrophobicContact CB-CD1 4.15Å; V485-F526 HydrophobicContact CG2-CD1 3.79Å; V485-F526 HydrophobicContact CG2-CE1 4.36Å; V485-F526 PolarHBondContact N-O 2.9Å; F523-F526 HydrophobicContact CD1-CB 4.39Å; F523-F526 PolarHBondContact O-N 3.47Å; F526-L528 HydrophobicContact CE1-CD2 3.97Å; F526-L528 HydrophobicContact CE1-CG 4.15Å
527H78.8Confident67.5Low70 Ų70108.5 Ų108.532%0.32458%0.576SS.*EExtended strand (participates in β ladder)trans-127.8120.6-173.5-6698.5000110.5P481 I483 K484 G525 A529P481-H527 WeakPolarHBondContact O-CB 3.47Å; P481-H527 PolarHBondContact O-CD2 2.95Å; I483-H527 WeakPolarHBondContact O-CA 3.01Å; K484-H527 WeakPolarHBondContact CE-NE2 3.45Å; K484-H527 WeakPolarHBondContact CG-CD2 3.27Å; K484-H527 VanDerWaalsContact CG-NE2 3.27Å; K484-H527 WeakPolarHBondContact CG-NE2 2.97Å; G525-H527 PolarHBondContact O-CE1 3.1Å; G525-H527 PolarHBondContact O-ND1 2.96Å; H527-A529 PolarHBondContact O-N 3.4Å
528L79.9Confident69Low94 Ų94102 Ų10249%0.49255%0.546SS..EExtended strand (participates in β ladder)trans-79.2105.3174.1-77.3168.1000110.1G482 I483 V485 F526 L530G482-L528 CarbonylContact C-O 3.37Å; G482-L528 WeakPolarHBondContact CA-O 3.32Å; I483-L528 HydrophobicContact CB-CB 4.37Å; I483-L528 PolarHBondContact N-O 3.09Å; I483-L528 PolarHBondContact O-N 2.92Å; V485-L528 HydrophobicContact CG2-CD1 3.64Å; V485-L528 HydrophobicContact CG2-CG 3.68Å; F526-L528 HydrophobicContact CE1-CD2 3.97Å; F526-L528 HydrophobicContact CE1-CG 4.15Å; L528-L530 PolarHBondContact O-N 3.21Å
529A77Confident70Confident96 Ų9697.4 Ų97.479%0.79352%0.523SS*.  trans-56.3132.7179.400000112.2H527H527-A529 PolarHBondContact O-N 3.4Å
530L76.8Confident71.3Confident97 Ų9796 Ų9651%0.50851%0.514SS..  trans-80.8151.5178-68.9172.5000111.5I483 L528 N532I483-L530 HydrophobicContact CD1-CD2 3.99Å; I483-L530 HydrophobicContact CG1-CD2 3.97Å; L528-L530 PolarHBondContact O-N 3.21Å; L530-N532 PolarHBondContact O-N 2.7Å
531L78.2Confident72.6Confident153 Ų153102.1 Ų102.180%0.80153%0.526SS*.  trans-64.897.5178.6-179.965.9000111.3K533L531-K533 PolarHBondContact O-N 2.89Å
532N75.5Confident73.8Confident58 Ų5897.3 Ų97.331%0.3151%0.507SS..  trans-75.590.6177.4-175.1-5.9000111.2L479 L530 G534 L535L479-N532 HydrophobicContact CD1-CB 4.43Å; L479-N532 WeakPolarHBondContact CD1-ND2 3.18Å; L530-N532 PolarHBondContact O-N 2.7Å; N532-G534 PolarHBondContact O-N 2.94Å; N532-G534 WeakPolarHBondContact OD1-CA 3.26Å; N532-G534 PolarHBondContact OD1-N 2.93Å; N532-L535 HydrophobicContact CB-CD1 4.02Å; N532-L535 HydrophobicContact CB-CG 4.13Å; N532-L535 PolarHBondContact O-N 2.95Å; N532-L535 VanDerWaalsContact O-N 3.08Å
533K69.6Low75Confident198 Ų19895 Ų9586%0.86150%0.504SS*.THydrogen-bonded Turntrans-56.9-11.7175.3-60.2-179.7-177.7176.90114.5L531L531-K533 PolarHBondContact O-N 2.89Å
534G67.7Low76.1Confident61 Ų61102.5 Ų102.563%0.62953%0.532SS*.THydrogen-bonded Turntrans-88.9-13.1177.100000115.1N532 K536N532-G534 PolarHBondContact O-N 2.94Å; N532-G534 WeakPolarHBondContact OD1-CA 3.26Å; N532-G534 PolarHBondContact OD1-N 2.93Å; G534-K536 PolarHBondContact O-N 2.83Å
535L73.1Confident77.3Confident128 Ų12897.1 Ų97.167%0.6751%0.509SS*.  trans-76.4117.4175.5-71.7173.8000110.3N532 P537N532-L535 HydrophobicContact CB-CD1 4.02Å; N532-L535 HydrophobicContact CB-CG 4.13Å; N532-L535 PolarHBondContact O-N 2.95Å; N532-L535 VanDerWaalsContact O-N 3.08Å; L535-P537 WeakPolarHBondContact O-CD 3.38Å
536K74Confident78.1Confident138 Ų13895.8 Ų95.860%0.649%0.489SS*.  trans-85.4113.6166.1-68.2-170.2175.6-170.80108.5G534 Q538G534-K536 PolarHBondContact O-N 2.83Å; K536-Q538 PolarHBondContact O-N 2.88Å; K536-Q538 PolarHBondContact O-NE2 3.5Å
537P73.8Confident78.6Confident65 Ų6594.4 Ų94.442%0.42249%0.491SS..  trans-59.9126.3-17722-32.3000111.4L535 S539 D545 Q577L535-P537 WeakPolarHBondContact O-CD 3.38Å; P537-S539 PolarHBondContact O-N 2.96Å; P537-D545 WeakPolarHBondContact CA-OD2 3.25Å; P537-D545 HydrophobicContact CB-CB 3.75Å; P537-Q577 PolarHBondContact O-NE2 3.16Å
538Q78.8Confident79Confident55 Ų55102.4 Ų102.426%0.25752%0.518SS..  trans-94.969.7-176.3-60.9-58.8-74.500110.1K536 F540 R541 N542 D545K536-Q538 PolarHBondContact O-N 2.88Å; K536-Q538 PolarHBondContact O-NE2 3.5Å; Q538-F540 PolarHBondContact O-N 3.01Å; Q538-R541 HydrophobicContact CB-CB 4.1Å; Q538-R541 PolarHBondContact O-N 3.38Å; Q538-N542 PolarHBondContact O-N 2.63Å; Q538-D545 PolarHBondContact N-OD2 3.15Å
539S77.2Confident79.5Confident12 Ų12102.3 Ų102.38%0.08453%0.525CS..THydrogen-bonded Turntrans-59.4-13.5-170.560.70000116.3P537 I546 Q554P537-S539 PolarHBondContact O-N 2.96Å; S539-I546 WeakPolarHBondContact O-CD1 3.22Å; S539-Q554 PolarHBondContact OG-NE2 2.94Å
540F78.9Confident79.9Confident36 Ų36103 Ų10316%0.15851%0.512CS..THydrogen-bonded Turntrans-100.9-8172.5-70.4-16.4000114.3Q538 R557 M558 N561 R571 Q573 D574Q538-F540 PolarHBondContact O-N 3.01Å; F540-R557 HydrophobicContact CE1-CB 3.89Å; F540-R557 HydrophobicContact CZ-CB 4.13Å; F540-M558 HydrophobicContact CD1-CG 3.47Å; F540-M558 VanDerWaalsContact CD1-CG 3.47Å; F540-M558 HydrophobicContact CE1-CG 3.91Å; F540-M558 HydrophobicContact CG-CG 4.45Å; F540-N561 WeakPolarHBondContact CD2-ND2 3.49Å; F540-N561 WeakPolarHBondContact CE2-ND2 2.96Å; F540-R571 VanDerWaalsContact CD2-O 3.3Å; F540-R571 WeakPolarHBondContact CD2-O 3.41Å; F540-Q573 WeakPolarHBondContact CD2-O 3.44Å; F540-Q573 WeakPolarHBondContact CE2-O 3.41Å; F540-D574 HydrophobicContact CE2-CB 4.12Å; F540-D574 HydrophobicContact CZ-CB 4.06Å
541R81.4Confident80.5Confident213 Ų213102.2 Ų102.280%0.80451%0.508SS*.THydrogen-bonded Turntrans-118.6-33-177.4-170.2178.3-178.2178.51.8113.5Q538Q538-R541 HydrophobicContact CB-CB 4.1Å; Q538-R541 PolarHBondContact O-N 3.38Å
542N83.8Confident81Confident53 Ų53101.4 Ų101.428%0.28350%0.503SS..  trans-118.6108.6179.6-177.816.4000110.5Q538 Y544 D545Q538-N542 PolarHBondContact O-N 2.63Å; N542-Y544 PolarHBondContact O-N 3.06Å; N542-Y544 WeakPolarHBondContact OD1-CD2 3.21Å; N542-Y544 PolarHBondContact OD1-N 3.08Å; N542-Y544 VanDerWaalsContact OD1-N 3.17Å; N542-D545 HydrophobicContact CB-CB 4.3Å; N542-D545 WeakPolarHBondContact CB-OD2 3.03Å; N542-D545 PolarHBondContact ND2-OD1 3.45Å; N542-D545 PolarHBondContact ND2-OD2 2.89Å; N542-D545 PolarHBondContact O-N 2.99Å; N542-D545 VanDerWaalsContact O-N 3.16Å
543P83.4Confident81.5Confident87 Ų87101.9 Ų101.957%0.56551%0.506SS*.G310 helixtrans-59.6-29176.7-25.335.5000113.8D545 I546P543-D545 PolarHBondContact O-N 3.06Å; P543-I546 WeakPolarHBondContact O-CB 3.19Å; P543-I546 PolarHBondContact O-N 3.13Å
544Y85.1Confident82.3Confident217 Ų21793.3 Ų93.385%0.85147%0.469SS*.G310 helixtrans-71.9-16.1-179.9-61.6-76.7000113.6N542 I546N542-Y544 PolarHBondContact O-N 3.06Å; N542-Y544 WeakPolarHBondContact OD1-CD2 3.21Å; N542-Y544 PolarHBondContact OD1-N 3.08Å; N542-Y544 VanDerWaalsContact OD1-N 3.17Å; Y544-I546 VanDerWaalsContact C-N 3.26Å; Y544-I546 PolarHBondContact O-N 3.3Å
545D84.8Confident83.3Confident57 Ų5795.3 Ų95.331%0.30547%0.465SS..G310 helixtrans-81-5.3174.7-70.2-12.1000112.6P537 Q538 N542 P543 P547P537-D545 WeakPolarHBondContact CA-OD2 3.25Å; P537-D545 HydrophobicContact CB-CB 3.75Å; Q538-D545 PolarHBondContact N-OD2 3.15Å; N542-D545 HydrophobicContact CB-CB 4.3Å; N542-D545 WeakPolarHBondContact CB-OD2 3.03Å; N542-D545 PolarHBondContact ND2-OD1 3.45Å; N542-D545 PolarHBondContact ND2-OD2 2.89Å; N542-D545 PolarHBondContact O-N 2.99Å; N542-D545 VanDerWaalsContact O-N 3.16Å; P543-D545 PolarHBondContact O-N 3.06Å; D545-P547 WeakPolarHBondContact O-CD 3.49Å
546I86.8Confident83.9Confident24 Ų2492.1 Ų92.112%0.12345%0.453CS..SBendtrans-91.3114-174.8-52.9175.9000110.2S539 P543 Y544 L551 Q554 M558S539-I546 WeakPolarHBondContact O-CD1 3.22Å; P543-I546 WeakPolarHBondContact O-CB 3.19Å; P543-I546 PolarHBondContact O-N 3.13Å; Y544-I546 VanDerWaalsContact C-N 3.26Å; Y544-I546 PolarHBondContact O-N 3.3Å; I546-L551 HydrophobicContact CB-CD1 4.42Å; I546-L551 HydrophobicContact CG2-CB 4.45Å; I546-L551 HydrophobicContact CG2-CD1 3.87Å; I546-Q554 HydrophobicContact CD1-CG 4.03Å; I546-Q554 HydrophobicContact CG1-CG 4.24Å; I546-Q554 HydrophobicContact CG2-CB 3.82Å; I546-Q554 HydrophobicContact CG2-CG 4.01Å; I546-M558 HydrophobicContact CD1-SD 3.7Å
547P86.1Confident84.4Confident71 Ų7188.4 Ų88.446%0.46144%0.435SS..  trans-69.3140.7177.429.4-36.1000111.7D545 S549 H550 L551D545-P547 WeakPolarHBondContact O-CD 3.49Å; P547-S549 PolarHBondContact O-N 2.98Å; P547-H550 HydrophobicContact CG-CB 4.45Å; P547-H550 PolarHBondContact O-N 2.96Å; P547-L551 PolarHBondContact O-N 2.94Å
548R87.4Confident84.9Confident237 Ų23787.6 Ų87.689%0.89443%0.426SS*.THydrogen-bonded Turntrans-53.5-29.5-177.9-175.5173.7177.2163.60.1114H550R548-H550 VanDerWaalsContact C-N 3.28Å; R548-H550 PolarHBondContact O-N 2.84Å
549S89.7Confident85.3Confident93 Ų9393.4 Ų93.465%0.6545%0.446SS*.THydrogen-bonded Turntrans-64.8-26.2177.452.90000114.3P547P547-S549 PolarHBondContact O-N 2.98Å
550H86.3Confident85.5Confident110 Ų110100.1 Ų100.151%0.50947%0.469SS..THydrogen-bonded Turntrans-1172.6-175.9-58.5-64.6000113.3P547 R548 L552 D553 Q554P547-H550 HydrophobicContact CG-CB 4.45Å; P547-H550 PolarHBondContact O-N 2.96Å; R548-H550 VanDerWaalsContact C-N 3.28Å; R548-H550 PolarHBondContact O-N 2.84Å; H550-L552 VanDerWaalsContact C-N 3.33Å; H550-L552 PolarHBondContact O-N 2.91Å; H550-D553 PolarHBondContact O-N 2.84Å; H550-Q554 WeakPolarHBondContact O-CB 3.31Å; H550-Q554 PolarHBondContact O-N 3.14Å
551L88.3Confident85.6Confident81 Ų81100.3 Ų100.342%0.42447%0.472SS..Hα-helixtrans-53.3-42.1-171.4-178.561.4000114.1I546 P547 L555I546-L551 HydrophobicContact CB-CD1 4.42Å; I546-L551 HydrophobicContact CG2-CB 4.45Å; I546-L551 HydrophobicContact CG2-CD1 3.87Å; P547-L551 PolarHBondContact O-N 2.94Å; L551-L555 WeakPolarHBondContact O-CB 3.23Å; L551-L555 PolarHBondContact O-N 3.38Å
552L89.3Confident85.5Confident136 Ų13695.8 Ų95.871%0.71246%0.463SS*.Hα-helixtrans-74-37.2-177.9-65.7176.7000113.5H550 S556H550-L552 VanDerWaalsContact C-N 3.33Å; H550-L552 PolarHBondContact O-N 2.91Å; L552-S556 WeakPolarHBondContact O-CB 3.46Å; L552-S556 PolarHBondContact O-N 2.93Å; L552-S556 VanDerWaalsContact O-N 3.09Å; L552-S556 PolarHBondContact O-OG 2.76Å
553D87Confident85.3Confident68 Ų6898.5 Ų98.536%0.36448%0.477SS..Hα-helixtrans-70.2-44.3171.9-178.436.1000110.2H550 L555 S556 R557 R560H550-D553 PolarHBondContact O-N 2.84Å; D553-L555 VanDerWaalsContact C-N 3.34Å; D553-L555 PolarHBondContact O-N 2.79Å; D553-S556 CarbonylContact O-C 3.15Å; D553-S556 WeakPolarHBondContact O-CA 3.32Å; D553-S556 WeakPolarHBondContact O-CB 3.42Å; D553-S556 PolarHBondContact O-N 3.13Å; D553-R557 WeakPolarHBondContact O-CG 3.35Å; D553-R557 PolarHBondContact O-N 2.86Å; D553-R557 IonicContact OD1-NE 3.39Å; D553-R557 IonicContact OD2-CZ 3.47Å; D553-R557 VanDerWaalsContact OD2-CZ 3.26Å; D553-R557 IonicContact OD2-NE 2.64Å; D553-R557 PolarHBondContact OD2-NE 3.36Å; D553-R557 IonicContact OD2-NH2 2.8Å; D553-R557 PolarHBondContact OD2-NH2 2.89Å; D553-R560 IonicContact OD1-NH2 3.88Å
554Q85.4Confident84.6Confident18 Ų1899.5 Ų99.58%0.08448%0.478CS..Hα-helixtrans-61.5-41.7177.7-156.864.819.800112.1S539 I546 H550 S556 R557 M558 D574S539-Q554 PolarHBondContact OG-NE2 2.94Å; I546-Q554 HydrophobicContact CD1-CG 4.03Å; I546-Q554 HydrophobicContact CG1-CG 4.24Å; I546-Q554 HydrophobicContact CG2-CB 3.82Å; I546-Q554 HydrophobicContact CG2-CG 4.01Å; H550-Q554 WeakPolarHBondContact O-CB 3.31Å; H550-Q554 PolarHBondContact O-N 3.14Å; Q554-S556 VanDerWaalsContact C-N 3.28Å; Q554-S556 PolarHBondContact O-N 3.03Å; Q554-R557 WeakPolarHBondContact O-CB 3.38Å; Q554-R557 PolarHBondContact O-N 3.14Å; Q554-M558 WeakPolarHBondContact O-CB 3.41Å; Q554-M558 VanDerWaalsContact O-CG 3.26Å; Q554-M558 WeakPolarHBondContact O-CG 3.33Å; Q554-M558 PolarHBondContact O-N 3.37Å; Q554-D574 PolarHBondContact NE2-OD2 3.39Å
555L88.5Confident83.3Confident102 Ų10295.1 Ų95.153%0.53447%0.474SS..Hα-helixtrans-61.2-37.8172-176.265.1000111.6L551 D553 R559L551-L555 WeakPolarHBondContact O-CB 3.23Å; L551-L555 PolarHBondContact O-N 3.38Å; D553-L555 VanDerWaalsContact C-N 3.34Å; D553-L555 PolarHBondContact O-N 2.79Å; L555-R559 VanDerWaalsContact O-CB 3.23Å; L555-R559 WeakPolarHBondContact O-CB 3.36Å; L555-R559 PolarHBondContact O-N 3.29Å
556S86.8Confident81.9Confident61 Ų6198 Ų9843%0.42749%0.494SS..Hα-helixtrans-71.7-29.8176.2-58.50000112.9L552 D553 Q554 R560L552-S556 WeakPolarHBondContact O-CB 3.46Å; L552-S556 PolarHBondContact O-N 2.93Å; L552-S556 VanDerWaalsContact O-N 3.09Å; L552-S556 PolarHBondContact O-OG 2.76Å; D553-S556 CarbonylContact O-C 3.15Å; D553-S556 WeakPolarHBondContact O-CA 3.32Å; D553-S556 WeakPolarHBondContact O-CB 3.42Å; D553-S556 PolarHBondContact O-N 3.13Å; Q554-S556 VanDerWaalsContact C-N 3.28Å; Q554-S556 PolarHBondContact O-N 3.03Å; S556-R560 WeakPolarHBondContact O-CG 3.4Å; S556-R560 PolarHBondContact O-N 2.92Å; S556-R560 PolarHBondContact O-NE 2.82Å
557R84.5Confident80.5Confident61 Ų61101.8 Ų101.823%0.2352%0.517CS..Hα-helixtrans-71.8-47.9169.8-66.4167.7-174.1-126.84.4111.2F540 D553 Q554 R559 R560 N561 D574 D576F540-R557 HydrophobicContact CE1-CB 3.89Å; F540-R557 HydrophobicContact CZ-CB 4.13Å; D553-R557 WeakPolarHBondContact O-CG 3.35Å; D553-R557 PolarHBondContact O-N 2.86Å; D553-R557 IonicContact OD1-NE 3.39Å; D553-R557 IonicContact OD2-CZ 3.47Å; D553-R557 VanDerWaalsContact OD2-CZ 3.26Å; D553-R557 IonicContact OD2-NE 2.64Å; D553-R557 PolarHBondContact OD2-NE 3.36Å; D553-R557 IonicContact OD2-NH2 2.8Å; D553-R557 PolarHBondContact OD2-NH2 2.89Å; Q554-R557 WeakPolarHBondContact O-CB 3.38Å; Q554-R557 PolarHBondContact O-N 3.14Å; R557-R559 PolarHBondContact O-N 3Å; R557-R560 PolarHBondContact O-N 2.97Å; R557-N561 WeakPolarHBondContact O-CB 3.48Å; R557-N561 PolarHBondContact O-N 3.24Å; R557-D574 IonicContact NH1-OD1 3.65Å; R557-D574 PolarHBondContact NH1-OD1 3.47Å; R557-D574 IonicContact NH1-OD2 2.79Å; R557-D576 IonicContact CZ-OD2 3.69Å; R557-D576 IonicContact NH1-OD1 3.38Å; R557-D576 IonicContact NH1-OD2 3.31Å; R557-D576 PolarHBondContact NH1-OD2 2.66Å; R557-D576 IonicContact NH2-OD2 3.71Å; R557-D576 PolarHBondContact NH2-OD2 3.44Å
558M83.8Confident78.7Confident48 Ų48104.9 Ų104.924%0.23654%0.539CS..Hα-helixtrans-58.8-46.4176.1-72.7174.180.600111.6F540 I546 Q554 R560 N561 L562F540-M558 HydrophobicContact CD1-CG 3.47Å; F540-M558 VanDerWaalsContact CD1-CG 3.47Å; F540-M558 HydrophobicContact CE1-CG 3.91Å; F540-M558 HydrophobicContact CG-CG 4.45Å; I546-M558 HydrophobicContact CD1-SD 3.7Å; Q554-M558 WeakPolarHBondContact O-CB 3.41Å; Q554-M558 VanDerWaalsContact O-CG 3.26Å; Q554-M558 WeakPolarHBondContact O-CG 3.33Å; Q554-M558 PolarHBondContact O-N 3.37Å; M558-R560 VanDerWaalsContact C-N 3.33Å; M558-R560 PolarHBondContact O-N 2.8Å; M558-N561 PolarHBondContact O-N 3.42Å; M558-L562 WeakPolarHBondContact O-CB 3.35Å; M558-L562 PolarHBondContact O-N 2.96Å
559R86.1Confident77.3Confident176 Ų17698.5 Ų98.566%0.66453%0.527SS*.Hα-helixtrans-60.4-41.1175.7-179.3174.8176.4-177.7-0.3111.8L555 R557 L563L555-R559 VanDerWaalsContact O-CB 3.23Å; L555-R559 WeakPolarHBondContact O-CB 3.36Å; L555-R559 PolarHBondContact O-N 3.29Å; R557-R559 PolarHBondContact O-N 3Å; R559-L563 HydrophobicContact CG-CD1 3.67Å; R559-L563 HydrophobicContact CG-CG 4.41Å; R559-L563 VanDerWaalsContact O-CB 3.31Å; R559-L563 WeakPolarHBondContact O-CB 3.1Å; R559-L563 VanDerWaalsContact O-CG 3.22Å; R559-L563 WeakPolarHBondContact O-CG 3.34Å; R559-L563 PolarHBondContact O-N 3.09Å; R559-L563 VanDerWaalsContact O-N 3.07Å
560R82.3Confident75.9Confident153 Ų153100 Ų10058%0.57753%0.527SS*.Hα-helixtrans-64.4-47.7173.3-78.1177-72.7164.7-5.3111.6D553 S556 R557 M558 L562 L563 N564D553-R560 IonicContact OD1-NH2 3.88Å; S556-R560 WeakPolarHBondContact O-CG 3.4Å; S556-R560 PolarHBondContact O-N 2.92Å; S556-R560 PolarHBondContact O-NE 2.82Å; R557-R560 PolarHBondContact O-N 2.97Å; M558-R560 VanDerWaalsContact C-N 3.33Å; M558-R560 PolarHBondContact O-N 2.8Å; R560-L562 VanDerWaalsContact C-N 3.32Å; R560-L562 PolarHBondContact O-N 3.42Å; R560-L563 PolarHBondContact O-N 3.02Å; R560-N564 VanDerWaalsContact O-CB 3.25Å; R560-N564 WeakPolarHBondContact O-CB 3.38Å; R560-N564 PolarHBondContact O-N 2.94Å
561N80.6Confident74.7Confident40 Ų40102.5 Ų102.521%0.21453%0.532CS..Hα-helixtrans-60.3-38.4179-171.324.2000112.5F540 R557 M558 R571F540-N561 WeakPolarHBondContact CD2-ND2 3.49Å; F540-N561 WeakPolarHBondContact CE2-ND2 2.96Å; R557-N561 WeakPolarHBondContact O-CB 3.48Å; R557-N561 PolarHBondContact O-N 3.24Å; M558-N561 PolarHBondContact O-N 3.42Å; N561-R571 PolarHBondContact ND2-O 3.36Å; N561-R571 PolarHBondContact OD1-N 2.75Å
562L80.6Confident73.5Confident118 Ų118100.7 Ų100.762%0.61853%0.533SS*.Hα-helixtrans-73.8-35.3177.7-176.464.4000113.4M558 R560 L570M558-L562 WeakPolarHBondContact O-CB 3.35Å; M558-L562 PolarHBondContact O-N 2.96Å; R560-L562 VanDerWaalsContact C-N 3.32Å; R560-L562 PolarHBondContact O-N 3.42Å; L562-L570 HydrophobicContact CD1-CD2 4.14Å
563L79Confident72.2Confident111 Ų11198.7 Ų98.758%0.58152%0.52SS*.Hα-helixtrans-91.6-7.9-176.6-65176000114.1R559 R560 T565R559-L563 HydrophobicContact CG-CD1 3.67Å; R559-L563 HydrophobicContact CG-CG 4.41Å; R559-L563 VanDerWaalsContact O-CB 3.31Å; R559-L563 WeakPolarHBondContact O-CB 3.1Å; R559-L563 VanDerWaalsContact O-CG 3.22Å; R559-L563 WeakPolarHBondContact O-CG 3.34Å; R559-L563 PolarHBondContact O-N 3.09Å; R559-L563 VanDerWaalsContact O-N 3.07Å; R560-L563 PolarHBondContact O-N 3.02Å; L563-T565 VanDerWaalsContact C-N 3.27Å; L563-T565 PolarHBondContact O-N 2.78Å; L563-T565 VanDerWaalsContact O-N 3.09Å; L563-T565 PolarHBondContact O-OG1 2.82Å
564N68.6Low71.4Confident108 Ų10895.8 Ų95.858%0.57850%0.504SS*.  trans-87.963.4-179.7-156.55.3000111.3R560 T566R560-N564 VanDerWaalsContact O-CB 3.25Å; R560-N564 WeakPolarHBondContact O-CB 3.38Å; R560-N564 PolarHBondContact O-N 2.94Å; N564-T566 PolarHBondContact O-N 2.87Å; N564-T566 PolarHBondContact OD1-OG1 3.32Å; N564-T566 VanDerWaalsContact OD1-OG1 3.08Å
565T56.6Low70.3Confident124 Ų12497.5 Ų97.576%0.76152%0.518SS*.THydrogen-bonded Turntrans-66.66.4-172.7-30.60000114.8L563 V567L563-T565 VanDerWaalsContact C-N 3.27Å; L563-T565 PolarHBondContact O-N 2.78Å; L563-T565 VanDerWaalsContact O-N 3.09Å; L563-T565 PolarHBondContact O-OG1 2.82Å; T565-V567 VanDerWaalsContact C-N 3.27Å; T565-V567 PolarHBondContact O-N 3.34Å
566T56.8Low69.3Low118 Ų11896.5 Ų96.572%0.72451%0.514SS*.THydrogen-bonded Turntrans-70.1-20-17649.70000113.8N564N564-T566 PolarHBondContact O-N 2.87Å; N564-T566 PolarHBondContact OD1-OG1 3.32Å; N564-T566 VanDerWaalsContact OD1-OG1 3.08Å
567V56.2Low68.3Low103 Ų10395.9 Ų95.962%0.62450%0.504SS*.SBendtrans-128.1126.4169.1-1760000108T565 T569T565-V567 VanDerWaalsContact C-N 3.27Å; T565-V567 PolarHBondContact O-N 3.34Å; V567-T569 PolarHBondContact O-N 2.78Å
568C50.2Low67.3Low136 Ų13697 Ų9792%0.91951%0.514SS*.SBendtrans-77.956.6-175-156.70000111.9
569T56.7Low66.4Low104 Ų104101.9 Ų101.964%0.63854%0.536SS*.  trans-155.691.3-175.7-500000109.7V567 R571V567-T569 PolarHBondContact O-N 2.78Å; T569-R571 PolarHBondContact O-N 2.97Å; T569-R571 VanDerWaalsContact O-N 3.14Å
570L60Low65.4Low124 Ų12497.7 Ų97.765%0.64953%0.534SS*.  trans-56.8117.6172.8-69.7170.2000109.5L562 G572L562-L570 HydrophobicContact CD1-CD2 4.14Å; L570-G572 PolarHBondContact O-N 3.14Å; L570-G572 VanDerWaalsContact O-N 3.15Å
571R62.4Low64.5Low162 Ų16292.2 Ų92.261%0.61152%0.517SS*.  trans-70.7113.1176.9-71.6-170.3176.1-1600.3108.8F540 N561 T569 Q573F540-R571 VanDerWaalsContact CD2-O 3.3Å; F540-R571 WeakPolarHBondContact CD2-O 3.41Å; N561-R571 PolarHBondContact ND2-O 3.36Å; N561-R571 PolarHBondContact OD1-N 2.75Å; T569-R571 PolarHBondContact O-N 2.97Å; T569-R571 VanDerWaalsContact O-N 3.14Å; R571-Q573 PolarHBondContact O-N 3.4Å
572G61.7Low63.7Low43 Ų4393.9 Ų93.944%0.44353%0.53SS..SBendtrans-75.9-4.7178.400000115.1L570L570-G572 PolarHBondContact O-N 3.14Å; L570-G572 VanDerWaalsContact O-N 3.15Å
573Q62.9Low62.8Low95 Ų9595.1 Ų95.144%0.44454%0.536SS..SBendtrans-132147.7-178.8-69.2177-300110.3F540 R571F540-Q573 WeakPolarHBondContact CD2-O 3.44Å; F540-Q573 WeakPolarHBondContact CE2-O 3.41Å; R571-Q573 PolarHBondContact O-N 3.4Å
574D68.9Low62Low7 Ų794.2 Ų94.24%0.03755%0.545CS..  trans-73.1146.8177.8-154.8-48.4000111.1F540 Q554 R557 D576 Q577 L578F540-D574 HydrophobicContact CE2-CB 4.12Å; F540-D574 HydrophobicContact CZ-CB 4.06Å; Q554-D574 PolarHBondContact NE2-OD2 3.39Å; R557-D574 IonicContact NH1-OD1 3.65Å; R557-D574 PolarHBondContact NH1-OD1 3.47Å; R557-D574 IonicContact NH1-OD2 2.79Å; D574-D576 PolarHBondContact O-N 3.07Å; D574-D576 PolarHBondContact OD1-N 2.85Å; D574-Q577 HydrophobicContact CB-CB 4.35Å; D574-Q577 HydrophobicContact CB-CG 4.02Å; D574-Q577 PolarHBondContact O-N 3.31Å; D574-L578 PolarHBondContact O-N 2.87Å
575S63.6Low61.5Low54 Ų5494.7 Ų94.738%0.37854%0.543SS..Hα-helixtrans-59.6-36.1174.646.80000111.5Q577 L578 H579S575-Q577 VanDerWaalsContact C-N 3.27Å; S575-Q577 PolarHBondContact O-N 3.01Å; S575-L578 WeakPolarHBondContact O-CB 3.39Å; S575-L578 PolarHBondContact O-N 3.45Å; S575-H579 PolarHBondContact O-N 3.47Å; S575-H579 PolarHBondContact O-ND1 3.16Å; S575-H579 VanDerWaalsContact O-ND1 3.15Å
576D67.1Low61.5Low81 Ų8194.4 Ų94.443%0.43354%0.535SS..Hα-helixtrans-73.5-25.4-176.8-62.13000111.1R557 D574 H579 S580R557-D576 IonicContact CZ-OD2 3.69Å; R557-D576 IonicContact NH1-OD1 3.38Å; R557-D576 IonicContact NH1-OD2 3.31Å; R557-D576 PolarHBondContact NH1-OD2 2.66Å; R557-D576 IonicContact NH2-OD2 3.71Å; R557-D576 PolarHBondContact NH2-OD2 3.44Å; D574-D576 PolarHBondContact O-N 3.07Å; D574-D576 PolarHBondContact OD1-N 2.85Å; D576-H579 PolarHBondContact O-N 3.41Å; D576-S580 PolarHBondContact O-N 3.31Å; D576-S580 VanDerWaalsContact O-N 3.16Å
577Q65.5Low61.2Low48 Ų4891.9 Ų91.922%0.22453%0.532CS..Hα-helixtrans-69.8-32.9172-71.4-174.6-8.500112.2P537 D574 S575 H579 S580P537-Q577 PolarHBondContact O-NE2 3.16Å; D574-Q577 HydrophobicContact CB-CB 4.35Å; D574-Q577 HydrophobicContact CB-CG 4.02Å; D574-Q577 PolarHBondContact O-N 3.31Å; S575-Q577 VanDerWaalsContact C-N 3.27Å; S575-Q577 PolarHBondContact O-N 3.01Å; Q577-H579 VanDerWaalsContact C-N 3.31Å; Q577-S580 WeakPolarHBondContact CA-OG 3.37Å; Q577-S580 PolarHBondContact O-N 3.48Å; Q577-S580 PolarHBondContact O-OG 2.86Å
578L64.1Low61.2Low84 Ų8491 Ų9144%0.4452%0.524SS..Hα-helixtrans-66-36.3174.4-60.2175000111.2D574 S575 S580 V581D574-L578 PolarHBondContact O-N 2.87Å; S575-L578 WeakPolarHBondContact O-CB 3.39Å; S575-L578 PolarHBondContact O-N 3.45Å; L578-S580 VanDerWaalsContact C-N 3.3Å; L578-S580 PolarHBondContact O-N 3.46Å; L578-V581 WeakPolarHBondContact O-CB 3.24Å; L578-V581 VanDerWaalsContact O-CG2 3.25Å; L578-V581 WeakPolarHBondContact O-CG2 3.33Å
579H64.3Low61.4Low151 Ų15191.7 Ų91.770%0.69951%0.508SS*.Hα-helixtrans-75.6-15.1174.5-55.3130.8000113.8S575 D576 Q577 V581S575-H579 PolarHBondContact O-N 3.47Å; S575-H579 PolarHBondContact O-ND1 3.16Å; S575-H579 VanDerWaalsContact O-ND1 3.15Å; D576-H579 PolarHBondContact O-N 3.41Å; Q577-H579 VanDerWaalsContact C-N 3.31Å; H579-V581 VanDerWaalsContact C-N 3.31Å
580S65.4Low61.3Low88 Ų8892.9 Ų92.962%0.61551%0.507SS*.THydrogen-bonded Turntrans-85.35.5174.276.20000114.8D576 Q577 L578D576-S580 PolarHBondContact O-N 3.31Å; D576-S580 VanDerWaalsContact O-N 3.16Å; Q577-S580 WeakPolarHBondContact CA-OG 3.37Å; Q577-S580 PolarHBondContact O-N 3.48Å; Q577-S580 PolarHBondContact O-OG 2.86Å; L578-S580 VanDerWaalsContact C-N 3.3Å; L578-S580 PolarHBondContact O-N 3.46Å
581V63.8Low61.3Low38 Ų3890.8 Ų90.823%0.2350%0.496CS..SBendtrans-71.5130.1-177.6172.50000110.4L578 H579 Q585 M586L578-V581 WeakPolarHBondContact O-CB 3.24Å; L578-V581 VanDerWaalsContact O-CG2 3.25Å; L578-V581 WeakPolarHBondContact O-CG2 3.33Å; H579-V581 VanDerWaalsContact C-N 3.31Å; V581-Q585 HydrophobicContact CG1-CB 3.53Å; V581-M586 HydrophobicContact CB-CG 4.25Å; V581-M586 HydrophobicContact CG1-CG 3.99Å
582P63.5Low61.2Low75 Ų7589.2 Ų89.249%0.48749%0.494SS..  trans-57.4144.8178.6-26.535000113A584 Q585 M586P582-A584 PolarHBondContact O-N 3.43Å; P582-A584 VanDerWaalsContact O-N 3.08Å; P582-Q585 WeakPolarHBondContact O-CA 3.47Å; P582-Q585 WeakPolarHBondContact O-CB 3.16Å; P582-Q585 PolarHBondContact O-N 2.79Å; P582-M586 PolarHBondContact O-N 3.39Å
583I62Low61Low143 Ų14391.4 Ų91.473%0.73350%0.495SS*.Hα-helixtrans-51.5-39.2-177-59.5170.2000112.3Q585 M586 G587I583-Q585 PolarHBondContact O-N 3.32Å; I583-Q585 VanDerWaalsContact O-N 3.15Å; I583-M586 HydrophobicContact CB-CE 4.34Å; I583-M586 HydrophobicContact CG1-CE 3.88Å; I583-M586 PolarHBondContact O-N 3.23Å; I583-M586 VanDerWaalsContact O-N 3.13Å; I583-G587 PolarHBondContact O-N 2.76Å
584A60.8Low61.1Low93 Ų9393.8 Ų93.877%0.76950%0.504SS*.Hα-helixtrans-63.7-16.2177.200000114.8P582P582-A584 PolarHBondContact O-N 3.43Å; P582-A584 VanDerWaalsContact O-N 3.08Å
585Q58.9Low60.8Low118 Ų11897.8 Ų97.855%0.55153%0.532SS*.Hα-helixtrans-100.2-26.8173.2-69.7-178.9-10.600112.2V581 P582 I583 G587V581-Q585 HydrophobicContact CG1-CB 3.53Å; P582-Q585 WeakPolarHBondContact O-CA 3.47Å; P582-Q585 WeakPolarHBondContact O-CB 3.16Å; P582-Q585 PolarHBondContact O-N 2.79Å; I583-Q585 PolarHBondContact O-N 3.32Å; I583-Q585 VanDerWaalsContact O-N 3.15Å; Q585-G587 PolarHBondContact O-N 3.46Å
586M55.9Low60.6Low117 Ų11796.8 Ų96.858%0.57653%0.527SS*.Hα-helixtrans-65.5-22.1176-62.5-158.1-69.200113.5V581 P582 I583 N588V581-M586 HydrophobicContact CB-CG 4.25Å; V581-M586 HydrophobicContact CG1-CG 3.99Å; P582-M586 PolarHBondContact O-N 3.39Å; I583-M586 HydrophobicContact CB-CE 4.34Å; I583-M586 HydrophobicContact CG1-CE 3.88Å; I583-M586 PolarHBondContact O-N 3.23Å; I583-M586 VanDerWaalsContact O-N 3.13Å; M586-N588 PolarHBondContact O-N 3.01Å
587G52.2Low60.1Low65 Ų6598.6 Ų98.667%0.6754%0.543SS*.THydrogen-bonded Turntrans-77.7-3.7-179.100000116.6I583 Q585 Y589I583-G587 PolarHBondContact O-N 2.76Å; Q585-G587 PolarHBondContact O-N 3.46Å; G587-Y589 PolarHBondContact O-N 2.85Å
588N55.3Low59.3Low85 Ų85105 Ų10546%0.45557%0.573SS.*  trans-82.450.7-173.1-1637.1000114.3M586 Q590 D591 F592M586-N588 PolarHBondContact O-N 3.01Å; N588-Q590 PolarHBondContact O-N 2.87Å; N588-D591 PolarHBondContact ND2-OD2 2.8Å; N588-D591 PolarHBondContact O-N 3.49Å; N588-D591 PolarHBondContact OD1-N 3.03Å; N588-D591 PolarHBondContact OD1-OD2 2.97Å; N588-F592 PolarHBondContact O-N 3.42Å
589Y54Low58.9Low151 Ų151106.9 Ų106.959%0.59259%0.591SS**Hα-helixtrans-61.6-25.2176.5-172.5-119.1000112.6G587 F592 L593G587-Y589 PolarHBondContact O-N 2.85Å; Y589-F592 HydrophobicContact CD2-CD1 4.08Å; Y589-F592 AromaticContact CE2-CD1 3.98Å; Y589-F592 HydrophobicContact CE2-CD1 3.98Å; Y589-F592 HydrophobicContact CE2-CE1 4.48Å; Y589-F592 PolarHBondContact O-N 3.3Å; Y589-L593 HydrophobicContact CD1-CD1 3.68Å; Y589-L593 HydrophobicContact CD1-CG 4.03Å; Y589-L593 HydrophobicContact CE1-CD1 3.53Å; Y589-L593 HydrophobicContact CE1-CD2 4.05Å; Y589-L593 HydrophobicContact CE1-CG 3.79Å; Y589-L593 HydrophobicContact CE2-CD2 4.48Å; Y589-L593 HydrophobicContact CE2-CG 4.4Å; Y589-L593 HydrophobicContact CG-CD1 4.49Å; Y589-L593 HydrophobicContact CG-CG 4.44Å; Y589-L593 WeakPolarHBondContact O-CB 3.06Å; Y589-L593 WeakPolarHBondContact O-CG 3.43Å; Y589-L593 PolarHBondContact O-N 2.96Å
590Q53.8Low58.7Low129 Ų129107.7 Ų107.760%0.60360%0.599SS**Hα-helixtrans-58.1-46.7174-83.3-85.2-24.400113.1N588 K594N588-Q590 PolarHBondContact O-N 2.87Å; Q590-K594 WeakPolarHBondContact O-CE 2.85Å; Q590-K594 WeakPolarHBondContact O-CG 3.36Å; Q590-K594 PolarHBondContact O-N 3.09Å
591D60.5Low58.4Low80 Ų80115.1 Ų115.143%0.42861%0.614SS.*Hα-helixtrans-77.6-29.9179.2-70.5-23.5000112.1N588 K594 S595N588-D591 PolarHBondContact ND2-OD2 2.8Å; N588-D591 PolarHBondContact O-N 3.49Å; N588-D591 PolarHBondContact OD1-N 3.03Å; N588-D591 PolarHBondContact OD1-OD2 2.97Å; D591-K594 PolarHBondContact O-N 3.48Å; D591-K594 WeakPolarHBondContact OD1-CE 2.88Å; D591-K594 IonicContact OD1-NZ 3.7Å; D591-K594 PolarHBondContact OD1-NZ 3.16Å; D591-S595 PolarHBondContact O-N 2.92Å; D591-S595 PolarHBondContact O-OG 3.4Å
592F60.4Low58Low128 Ų128120.5 Ų120.556%0.56164%0.642SS**Hα-helixtrans-59.8-49.5168.5-178-101.8000111.3N588 Y589 K594 S595 A596N588-F592 PolarHBondContact O-N 3.42Å; Y589-F592 HydrophobicContact CD2-CD1 4.08Å; Y589-F592 AromaticContact CE2-CD1 3.98Å; Y589-F592 HydrophobicContact CE2-CD1 3.98Å; Y589-F592 HydrophobicContact CE2-CE1 4.48Å; Y589-F592 PolarHBondContact O-N 3.3Å; F592-K594 VanDerWaalsContact C-N 3.25Å; F592-K594 PolarHBondContact O-N 3.13Å; F592-S595 CarbonylContact O-C 3.6Å; F592-S595 PolarHBondContact O-N 2.96Å; F592-S595 PolarHBondContact O-OG 3.36Å; F592-A596 PolarHBondContact O-N 3.36Å
593L57.9Low57.2Low89 Ų89121.7 Ų121.747%0.46666%0.657SS.*Hα-helixtrans-60-27.8176.4-77.7175.6000114.3Y589Y589-L593 HydrophobicContact CD1-CD1 3.68Å; Y589-L593 HydrophobicContact CD1-CG 4.03Å; Y589-L593 HydrophobicContact CE1-CD1 3.53Å; Y589-L593 HydrophobicContact CE1-CD2 4.05Å; Y589-L593 HydrophobicContact CE1-CG 3.79Å; Y589-L593 HydrophobicContact CE2-CD2 4.48Å; Y589-L593 HydrophobicContact CE2-CG 4.4Å; Y589-L593 HydrophobicContact CG-CD1 4.49Å; Y589-L593 HydrophobicContact CG-CG 4.44Å; Y589-L593 WeakPolarHBondContact O-CB 3.06Å; Y589-L593 WeakPolarHBondContact O-CG 3.43Å; Y589-L593 PolarHBondContact O-N 2.96Å
594K64.8Low56.7Low145 Ų145119.8 Ų119.863%0.6365%0.649SS**Hα-helixtrans-75.9-27173.8-67.4164.8-155.9164.60112.8Q590 D591 F592Q590-K594 WeakPolarHBondContact O-CE 2.85Å; Q590-K594 WeakPolarHBondContact O-CG 3.36Å; Q590-K594 PolarHBondContact O-N 3.09Å; D591-K594 PolarHBondContact O-N 3.48Å; D591-K594 WeakPolarHBondContact OD1-CE 2.88Å; D591-K594 IonicContact OD1-NZ 3.7Å; D591-K594 PolarHBondContact OD1-NZ 3.16Å; F592-K594 VanDerWaalsContact C-N 3.25Å; F592-K594 PolarHBondContact O-N 3.13Å
595S62.2Low56.4Low91 Ų91121.3 Ų121.364%0.63665%0.651SS**Hα-helixtrans-92.7-23.8178.769.60000113.6D591 F592D591-S595 PolarHBondContact O-N 2.92Å; D591-S595 PolarHBondContact O-OG 3.4Å; F592-S595 CarbonylContact O-C 3.6Å; F592-S595 PolarHBondContact O-N 2.96Å; F592-S595 PolarHBondContact O-OG 3.36Å
596A59.4Low55.8Low33 Ų33124 Ų12427%0.27366%0.663SS.*SBendtrans-67.5136.117300000109.9F592 Q598F592-A596 PolarHBondContact O-N 3.36Å; A596-Q598 PolarHBondContact O-N 3.24Å
597P56.8Low55.3Low119 Ų119125.8 Ų125.877%0.77367%0.67SS**PPolyproline II helixtrans-60.6135169.227.4-33.4000108.8
598Q48.4Very low54.9Low182 Ų182128.3 Ų128.385%0.8568%0.675SS**PPolyproline II helixtrans-58129.1177.3-71.8-171-14.700109.5A596 L600A596-Q598 PolarHBondContact O-N 3.24Å; Q598-L600 PolarHBondContact O-N 3.45Å
599P57.5Low54.3Low125 Ų125133.5 Ų133.581%0.81269%0.694SS**PPolyproline II helixtrans-54.3130.2174.3-26.635.1000110.2R601P599-R601 PolarHBondContact O-N 3.49Å
600L58.8Low53.9Low167 Ų167135.8 Ų135.887%0.87470%0.701SS**PPolyproline II helixtrans-61123.8167.1-80.5162.8000107.2Q598 D602Q598-L600 PolarHBondContact O-N 3.45Å; L600-D602 PolarHBondContact O-N 3.39Å
601R59.3Low53.7Low244 Ų244137.6 Ų137.692%0.92171%0.714SS**PPolyproline II helixtrans-61.9122.6-178.9-173.6178.4-170.5143.11.6109.1P599P599-R601 PolarHBondContact O-N 3.49Å
602D56.5Low52.9Low152 Ų152141.4 Ų141.481%0.81373%0.729SS**PPolyproline II helixtrans-54.8142.8179.3-63.3-68.2000111.6L600 D604L600-D602 PolarHBondContact O-N 3.39Å; D602-D604 PolarHBondContact O-N 3.02Å
603A46.6Very low52.1Low99 Ų99142.3 Ų142.382%0.81875%0.745SS**  trans-75.898.2-179.500000109.6P605A603-P605 WeakPolarHBondContact O-CD 3.4Å; A603-P605 VanDerWaalsContact O-N 3.16Å
604D49.8Very low51.1Low104 Ų104147.2 Ų147.256%0.55676%0.763SS**  trans-45.2113.1178.3-174.3-11.4000112.1D602 E606D602-D604 PolarHBondContact O-N 3.02Å; D604-E606 VanDerWaalsContact C-N 3.29Å; D604-E606 PolarHBondContact O-N 2.95Å; D604-E606 PolarHBondContact OD1-N 3.18Å
605P54.4Low50.3Low125 Ų125143.6 Ų143.681%0.81277%0.766SS**THydrogen-bonded Turntrans-76.3-12-172.131.1-35.8000113.8A603 Q607A603-P605 WeakPolarHBondContact O-CD 3.4Å; A603-P605 VanDerWaalsContact O-N 3.16Å; P605-Q607 PolarHBondContact O-N 3.07Å
606E48.2Very low49.9Very low173 Ų173145 Ų14581%0.80877%0.767SS**THydrogen-bonded Turntrans-88.55.3-174.8-64.1-154.1127.300114.5D604 P608D604-E606 VanDerWaalsContact C-N 3.29Å; D604-E606 PolarHBondContact O-N 2.95Å; D604-E606 PolarHBondContact OD1-N 3.18Å; E606-P608 VanDerWaalsContact O-CD 3.28Å; E606-P608 WeakPolarHBondContact O-CD 3.04Å
607Q44.7Very low49.6Very low155 Ų155148.1 Ų148.172%0.72479%0.785SS**SBendtrans-69.4118.1168.8-69.3-16211.800111.2P605 K609P605-Q607 PolarHBondContact O-N 3.07Å; Q607-K609 PolarHBondContact O-N 3.35Å; Q607-K609 VanDerWaalsContact O-N 3.17Å
608P42.8Very low49.2Very low118 Ų118151.4 Ų151.477%0.76679%0.787SS**  trans-66.4120.2-177.325.7-33.8000110.8E606 R610E606-P608 VanDerWaalsContact O-CD 3.28Å; E606-P608 WeakPolarHBondContact O-CD 3.04Å; P608-R610 PolarHBondContact O-N 3.42Å
609K43.1Very low49Very low195 Ų195150.8 Ų150.885%0.84878%0.781SS**  trans-52.1110.3175.2-72.7176.4179.4169.70109.9Q607 L611Q607-K609 PolarHBondContact O-N 3.35Å; Q607-K609 VanDerWaalsContact O-N 3.17Å; K609-L611 PolarHBondContact O-N 2.84Å
610R45.1Very low48.7Very low198 Ų198151 Ų15175%0.74778%0.775SS**  trans-65.7104.9177.6-90.3-172163.6-167.3-4.5111.1P608 H612P608-R610 PolarHBondContact O-N 3.42Å; R610-H612 VanDerWaalsContact C-N 3.25Å; R610-H612 PolarHBondContact O-N 3Å
611L50.9Low47.9Very low168 Ų168150.4 Ų150.488%0.8877%0.773SS**  trans-6982.5162.5-80.685.6000110.1K609K609-L611 PolarHBondContact O-N 2.84Å
612H42.8Very low47.3Very low160 Ų160148.7 Ų148.774%0.74177%0.772SS**  trans-149.6104.7151.3-141.5-93.9000110.2R610 F614R610-H612 VanDerWaalsContact C-N 3.25Å; R610-H612 PolarHBondContact O-N 3Å; H612-F614 VanDerWaalsContact C-N 3.27Å; H612-F614 PolarHBondContact ND1-O 3.25Å; H612-F614 PolarHBondContact O-N 3.27Å
613T43.3Very low46.7Very low146 Ų146151.4 Ų151.490%0.89678%0.777SS**SBendtrans-75.9-7.4-168.1380000114.9
614F38.8Very low46.4Very low193 Ų193149.7 Ų149.785%0.84677%0.769SS**SBendtrans-145.2129.6170.1-118.4-99.8000110.3H612H612-F614 VanDerWaalsContact C-N 3.27Å; H612-F614 PolarHBondContact ND1-O 3.25Å; H612-F614 PolarHBondContact O-N 3.27Å
615G47.9Very low45.9Very low68 Ų68153.3 Ų153.370%0.70178%0.784SS**  trans163.5147179.600000113.3
616N52.7Low45.3Very low120 Ų120154.1 Ų154.164%0.64278%0.779SS**  trans-81.2120.4-179.2178.5-6.3000110.9F618N616-F618 VanDerWaalsContact C-N 3.31Å; N616-F618 PolarHBondContact O-N 3.39Å; N616-F618 PolarHBondContact OD1-N 3.39Å
617P54Low44.6Very low100 Ų100152.2 Ų152.265%0.64977%0.773SS**THydrogen-bonded Turntrans-73.6-12.4-171.229.2-36.2000115.3K619P617-K619 PolarHBondContact O-N 2.87Å
618F48.2Very low44.4Very low188 Ų188152.6 Ų152.683%0.82578%0.78SS**THydrogen-bonded Turntrans-9424.2-174.2-67.4-73.4000115N616N616-F618 VanDerWaalsContact C-N 3.31Å; N616-F618 PolarHBondContact O-N 3.39Å; N616-F618 PolarHBondContact OD1-N 3.39Å
619K43.7Very low44.2Very low168 Ų168155.1 Ų155.173%0.7378%0.782SS**  trans-134.5110.6166.4-75.7-165.4172.3-165.10110.9P617P617-K619 PolarHBondContact O-N 2.87Å
620L51.2Low43.7Very low129 Ų129150.6 Ų150.668%0.67578%0.781SS**  trans-123.3120.7157.9-76.7168.9000107.4
621D41.1Very low43Very low155 Ų155149.5 Ų149.583%0.82979%0.79SS**  trans-75.7145.7-179.5-95.7-63.1000111.6K623D621-K623 PolarHBondContact O-N 2.85Å
622K47.8Very low42.1Very low209 Ų209148.7 Ų148.791%0.90978%0.782SS**SBendtrans-93.468.2-167.8-168.1179.4179.2179.20111.7
623K44.6Very low41.4Very low208 Ų208148.6 Ų148.690%0.90478%0.779SS**  trans-156.1136.2174.5-107.9170.2-177.9-178.50113.2D621D621-K623 PolarHBondContact O-N 2.85Å
624G39.8Very low40.9Very low64 Ų64148.9 Ų148.966%0.6678%0.78SS**  trans114.2105.3-173.100000109.9
625M39.7Very low40.5Very low179 Ų179144.6 Ų144.688%0.88277%0.77SS**  69121.967.7-66.3170.863.300111.8
626M40.4Very low39.5Very low142 Ų142144.6 Ų144.670%0.777%0.771SS**  cis-131148.5-4-63-74.5-81.800107.6
627I35.1Very low38.8Very low134 Ų134144.9 Ų144.969%0.68778%0.779SS**  35.210888-50.5177.6000114.2E629I627-E629 HydrophobicContact CG2-CG 4.3Å
628D39.5Very low37.7Very low163 Ų163148.7 Ų148.787%0.87279%0.788SS**  -141.4157128.5-157.8-0.9000108
629E37.5Very low36.8Very low170 Ų170147.5 Ų147.579%0.79479%0.79SS**  trans-125.3115.5-165.3-63.1-176.8152.900113I627I627-E629 HydrophobicContact CG2-CG 4.3Å
630A33.8Very low36.3Very low101 Ų101148.6 Ų148.684%0.83580%0.795SS**  trans-157.4126.7161.200000112.5
631D31Very low35.3Very low174 Ų174146.5 Ų146.593%0.9380%0.804SS**  trans86.183.1172.8-73.4-1.5000119.9
632E32.2Very low34.8Very low151 Ų151149.2 Ų149.271%0.70681%0.809SS**  trans-114.8122.1152.6-172.3-172.7-162.700109.2
633F26.6Very low34.2Very low159 Ų159150.9 Ų150.970%0.69781%0.809SS**  trans162.193.6130.7-105.1-91.2000113.9
634V32.3Very low33.8Very low151 Ų151147.1 Ų147.192%0.91581%0.806SS**  -145.9113.2127.5178.20000106.9
635T31.6Very low33.3Very low103 Ų103147.5 Ų147.563%0.63281%0.811SS**  trans-111.2139-176.947.20000112.7
636G27.6Very low32.9Very low69 Ų69148.4 Ų148.471%0.71181%0.813SS**  trans-137.6131.5173.200000109.4
637P37.4Very low32.2Very low126 Ų126146.9 Ų146.982%0.81882%0.816SS**  trans-90.9142.9-15232.8-36.8000115.8
638Q30.6Very low31.9Very low180 Ų180145.5 Ų145.584%0.84182%0.818SS**  trans-112.3120.8153.3-76.5-161.10.900110.8
639N29.2Very low31.3Very low163 Ų163145.2 Ų145.287%0.87282%0.817SS**  trans-82.5124.1170.5-86-38.7000111
640K33.4Very low30.9Very low191 Ų191145.4 Ų145.483%0.8382%0.819SS**  trans-118.2136.2156.6-82.6-176.6176.6173.60109.3
641G30.9Very low31.1Very low84 Ų84146.6 Ų146.687%0.86682%0.819SS**  trans-75.6164.9-171.300000114.7
642K30.2Very low31Very low213 Ų213142 Ų14293%0.92681%0.813SS**  trans-105.4151.6171.1-66.7-177.7177.6178.90111.1
643R35.7Very low30.7Very low243 Ų243138.7 Ų138.792%0.91782%0.819SS**  trans-138.7148.9162.8-75.8-173.9178.7177.7-0.8108.8
644P35.5Very low30.7Very low129 Ų129134.7 Ų134.784%0.83882%0.822SS**  trans-130.4150.6161.137.2-24.1000114.2
645G29.1Very low31.6Very low73 Ų73132.8 Ų132.875%0.75381%0.813SS**  trans73.1127.7170.400000115.7
646E30.4Very low31.6Very low198 Ų198136.3 Ų136.393%0.92582%0.82SS**  cis99.3111.524.4-73.2-156.9134.200116
647S27.5Very low31.8Very low109 Ų109143.2 Ų143.276%0.76283%0.825SS**  trans-172126.5135.859.60000114
648S27.8Very low31.5Very low106 Ų106147.6 Ų147.674%0.74183%0.825SS**  trans76.7137.6148.274.80000123.6
649N27.3Very low31.6Very low157 Ų157150.3 Ų150.384%0.8483%0.827SS**  trans82.5106147.4-64.53.7000123
650M29Very low31.5Very low173 Ų173147.6 Ų147.685%0.85282%0.82SS**  trans-111.6164.9153.3-98.2-74.4169.500106.8
651P37.1Very low31.2Very low126 Ų126146.7 Ų146.782%0.81882%0.82SS**  -157.6170.460.542.2-20.4000120.2
652G28.9Very low31.7Very low78 Ų78147.9 Ų147.980%0.80482%0.815SS**  trans93.6141.3156.500000116.1
653G27.2Very low32Very low81 Ų81143.8 Ų143.884%0.83581%0.811SS**  cis-179.4145.4-800000110.8
654G26.8Very low31.9Very low75 Ų75139.7 Ų139.777%0.77381%0.806SS**  trans-104.2-148.2176.100000112.6
655P49.8Very low32Very low112 Ų112141 Ų14173%0.72781%0.806SS**  cis-138.8-152.9-19.638-16.9000111.9
656K31.6Very low32.1Very low176 Ų176149.9 Ų149.977%0.76582%0.816SS**  trans93.9148.3169.5-54.8160.4-173.5167.10115.1
657R31.4Very low32.1Very low215 Ų215149 Ų14981%0.81182%0.817SS**  cis-159.4123.6-8.6-118.7174.9-179.4-175.70.1113.2
658R32.4Very low32.1Very low218 Ų218147.1 Ų147.182%0.82382%0.815SS**  42.6110120.5-162.8-170.1-159.1-167.57.4121.1
659R31.7Very low32.1Very low237 Ų237154 Ų15489%0.89483%0.825SS**  trans159.5161134.6-92.7171.6175.4176.5-1.1109.8
660C27.4Very low32.1Very low105 Ų105151.3 Ų151.371%0.70983%0.825SS**  cis-176.7140.3-36.6-102.40000107.3
661M27.1Very low32.2Very low172 Ų172153.9 Ų153.985%0.84783%0.826SS**  trans49.1121.9160-55.4-54.5-68.900120.6
662S42.8Very low31.8Very low109 Ų109154.3 Ų154.376%0.76283%0.827SS**  trans-72.3152.5160.151.40000113.2
663P36.2Very low32Very low127 Ų127155.8 Ų155.883%0.82582%0.822SS**  trans-123.1169.5147.536.8-26.9000113.4
664L32.5Very low32.3Very low157 Ų157158.2 Ų158.282%0.82282%0.823SS**  trans-79.1151.6-170-72.6159.1000114.9
665L37.2Very low32.4Very low158 Ų158161.1 Ų161.183%0.82783%0.826SS**  trans42.1115.8140.8-59.8170.8000119.7
666R31.4Very low31.9Very low258 Ų258162 Ų16297%0.97483%0.829SS**  trans-147147.7132.5-132.1174-175.4125.51.2112.7
667L30.9Very low32.2Very low179 Ų179159 Ų15994%0.93783%0.828SS**  trans-83.9137.6-173.4-170.172.8000111.2
668G27.1Very low32.5Very low71 Ų71154.6 Ų154.673%0.73283%0.827SS**  trans-173.692.418000000117.5
669R29.1Very low32.3Very low250 Ų250148.4 Ų148.494%0.94382%0.823SS**  trans46.7133.1153.5-85.8-171.8170.2-160.4-2.7122.6
670A27.5Very low32.2Very low101 Ų101142.4 Ų142.484%0.83582%0.817SS**  trans83.6132.9137.500000120.6
671Y29.5Very low32.9Very low226 Ų226143.4 Ų143.489%0.88682%0.822SS**  trans-89.8142.1175-116.2-111.2000111
672T30Very low33Very low136 Ų136146.2 Ų146.283%0.83482%0.823SS**  trans-155.3147.2141.533.60000110
673P33.4Very low32.3Very low108 Ų108149.3 Ų149.370%0.70183%0.825SS**PPolyproline II helixtrans-98.2152.8-176.837-34.3000114
674P32.3Very low31.8Very low133 Ų133147.4 Ų147.486%0.86482%0.815SS**PPolyproline II helixtrans-83.4122.6174.931.7-32.4000113.5
675V29.6Very low31.6Very low136 Ų136146.2 Ų146.282%0.82481%0.814SS**PPolyproline II helixtrans-60.6152.3178.7169.70000114.8
676T38.8Very low31.1Very low130 Ų130146.8 Ų146.880%0.79882%0.818SS**PPolyproline II helixtrans-88147.6171.8500000114.1
677P37.9Very low31.1Very low114 Ų114141.9 Ų141.974%0.7481%0.808SS**  trans-140.3169.4153.840.5-27.1000114
678P37.7Very low31Very low122 Ų122140 Ų14079%0.79280%0.799SS**  cis-140.7158.8-46.839.8-23.9000115.9
679A27.9Very low31.2Very low88 Ų88143 Ų14373%0.72780%0.798SS**  trans29.8120.7146.200000124.8
680S30.9Very low31.2Very low110 Ų110137.4 Ų137.477%0.76979%0.787SS**  46.2143.5108.2-460000122.5
681P40.5Very low31.2Very low126 Ų126139.3 Ų139.382%0.81878%0.782SS**  -131.9139.775.721.5-1.2000114.3
682R29.5Very low31Very low232 Ų232132 Ų13288%0.87578%0.776SS**  76.6121.267.2-90.8-167.1174.2-167.3-0.5116.4
683H27.6Very low31Very low173 Ų173130.1 Ų130.180%0.80177%0.774SS**  -162.7154.9117.9-122-88.5000114.2
684S26.9Very low31.7Very low88 Ų88130.8 Ų130.862%0.61578%0.778SS**  trans12.4122.4165.443.40000120.7
685T28.1Very low31.5Very low131 Ų131133.1 Ų133.180%0.80478%0.778SS**  cis83.911947.263.90000116.5
686D27.5Very low31.8Very low170 Ų170131.9 Ų131.991%0.90977%0.773SS**  trans-157.6173131.4-102.8-24.7000109.9
687M31.3Very low31.3Very low156 Ų156133.5 Ų133.577%0.76877%0.771SS**  trans-120.3155.3-159.2-64.5-179.259.700115.9
688D27Very low30.7Very low139 Ų139136.1 Ų136.174%0.74378%0.778SS**  179.2128126.8-88.7-17.1000108.8
689L32.1Very low30.1Very low135 Ų135135.9 Ų135.971%0.70777%0.769SS**  58.7129.878-63.1178.7000113.2
690N28.7Very low30Very low132 Ų132139.6 Ų139.671%0.70678%0.775SS**  cis-166.1175.3-14.4-148.218000106.8
691D28.3Very low29.7Very low140 Ų140140.1 Ų140.175%0.74977%0.769SS**  cis-158-177.5-0.6-155.6-39.4000107.4
692G26.2Very low29.2Very low72 Ų72141.7 Ų141.774%0.74277%0.765SS**  trans14198.6160.300000116.9
693A28.8Very low29Very low97 Ų97137.9 Ų137.980%0.80276%0.761SS**  trans-94.8163.9-179.200000114.7
694P48.9Very low28.9Very low122 Ų122135.7 Ų135.779%0.79276%0.756SS**  trans-111.8178.5-170.843.1-35.1000114.5
695E27.5Very low29Very low182 Ų182138.3 Ų138.385%0.8576%0.758SS**  trans177.1172.3141.8-108.3-172.1-158.900111.6
696P36.3Very low29Very low110 Ų110138 Ų13871%0.71475%0.751SS**  cis-131.4175-15.729.9-9.1000115.5
697E27.3Very low28.9Very low164 Ų164138.2 Ų138.277%0.76675%0.747SS**  trans-101.8155.1164.2-66.2-170.6133.300112.6I699E697-I699 HydrophobicContact CB-CG1 4.47Å
698L25.4Very low28.5Very low169 Ų169141.3 Ų141.389%0.88575%0.751SS**  trans-145.5104.4153-67.7176.9000106.5
699I25.6Very low28.5Very low118 Ų118139.6 Ų139.661%0.60575%0.75SS**  60.811063.4-49.8175.9000113.1E697E697-I699 HydrophobicContact CB-CG1 4.47Å
700I25.8Very low28.9Very low165 Ų165137.7 Ų137.785%0.84675%0.746SS**  -172.7128.7125.2-94.9160.4000112.8
701N25.7Very low28.6Very low122 Ų122138.2 Ų138.265%0.65275%0.749SS**  trans-54.9178166.9-70.2-24.8000115.2
702H28.1Very low28.5Very low159 Ų159136.8 Ų136.874%0.73675%0.745SS**  cis-170.8162.2-9.9-107.6-40.4000107.5
703L26.2Very low28.3Very low152 Ų152140.7 Ų140.780%0.79675%0.749SS**  151.6122.4129.8-81.7161.8000115.5
704N26.3Very low28.3Very low127 Ų127141.3 Ų141.368%0.67975%0.748SS**  26.9148119.3-66.5-6.4000121
705Q28.4Very low27Very low143 Ų143142.6 Ų142.667%0.66875%0.748SS**  cis-171.9170.52.6-122.9177.91500113.1
706N27.2Very low27.6Very low124 Ų124138.7 Ų138.766%0.66374%0.738SS**  trans69.1133.3156.9-55.6-25.1000117.9
707H25.2Very low27.1Very low174 Ų174141.5 Ų141.581%0.80674%0.742SS**  cis80.6104.349.3-88.9-59.5000115.5
708Y24.7Very low27.1Very low221 Ų221139.2 Ų139.287%0.86774%0.739SS**  -174.8162.8117.2-117.9-101000112
709S25.3Very low27.1Very low103 Ų103138.1 Ų138.172%0.7273%0.734SS**  trans-119.7-162.9168-50.30000107.2
710P41Very low27.3Very low95 Ų95141.1 Ų141.162%0.61775%0.745SS**  cis-139.9-167-1.145.5-26.4000115.1
711D23.5Very low27.6Very low143 Ų143138.7 Ų138.777%0.76574%0.74SS**  trans61.6161.8153.6-54-26.5000118.8
712T25.6Very low27.6Very low111 Ų111138.4 Ų138.468%0.68175%0.747SS**  cis-156.715315.9-230000110.4
713N22.5Very low27.4Very low154 Ų154134 Ų13482%0.82475%0.745SS**  trans55152.3150-71.90.3000121
714S26.9Very low27.9Very low110 Ų110132.7 Ų132.777%0.76975%0.746SS**  cis-159.3164.4-0.942.60000112.5
715D22.6Very low27.9Very low149 Ų149130.4 Ų130.480%0.79774%0.744SS**  trans-45.7171.9156.5-76.4-59.8000115.4
716P40.5Very low27.8Very low100 Ų100130.7 Ų130.765%0.64975%0.75SS**  cis-140.817521.543.5-24.9000119.1
717E24.5Very low27.7Very low169 Ų169132.9 Ų132.979%0.7976%0.761SS**  trans27.5163.1134.2-50.2173.1131.100122.5
718V28.8Very low27.8Very low116 Ų116132.9 Ų132.970%0.70376%0.762SS**  cis-147.9-175.18.9-1400000111.6
719D25.7Very low27.8Very low145 Ų145130.9 Ų130.978%0.77576%0.76SS**  trans87.493149.6-69.6-8.9000122
720H28.3Very low27.7Very low181 Ų181132.3 Ų132.384%0.83876%0.76SS**  trans-83.6156.6131.3-73.8-68.1000109.6
721P32.7Very low27Very low114 Ų114135.7 Ų135.774%0.7477%0.767SS**  -142.8142.6102.831.8-15.6000116.4
722S25.2Very low27Very low116 Ų116134.5 Ų134.581%0.81177%0.765SS**  trans49133.4133.1-50.20000123
723G24.6Very low26.9Very low67 Ų67135.6 Ų135.669%0.69177%0.772SS**  trans-75.8-152.3149.800000112.1
724P37.4Very low27Very low125 Ų125133.2 Ų133.281%0.81277%0.773SS**  -147-170.350.341.3-21.1000115.6
725A25.5Very low26.9Very low78 Ų78134.9 Ų134.965%0.64577%0.774SS**  trans39.7150.1136.300000121.8
726D25.3Very low27.4Very low149 Ų149133 Ų13380%0.79777%0.769SS**  cis-167.3169.2-12.1-110.3-42.6000107.9
727L26.5Very low26.6Very low170 Ų170136.2 Ų136.289%0.8978%0.776SS**  trans172.1148.7132.1-95165.3000113.2
728Q25.9Very low26.6Very low175 Ų175135 Ų13582%0.81877%0.774SS**  trans-101.6164.2174.5-56.7166.8-62.800110.2
729E25.2Very low26.4Very low179 Ų179136.1 Ų136.184%0.83678%0.776SS**  -176.6-176114.3-101.2-169.6162.900113.7
730N24.6Very low26.4Very low133 Ų133138.8 Ų138.871%0.71178%0.775SS**  trans-115.9-162.9-160-65.6-77.3000113.9
731H25.5Very low26.2Very low165 Ų165136.5 Ų136.576%0.76476%0.764SS**  trans93.6123.2171.8-53-72.3000115
732T23.8Very low25.8Very low119 Ų119137.5 Ų137.573%0.7376%0.757SS**  cis92.5134.221.4-43.90000114.9
733T23.9Very low25.8Very low134 Ų134138.4 Ų138.482%0.82275%0.752SS**  trans98.7148.5164.6720000120.9
734A24.6Very low25.8Very low103 Ų103142.3 Ų142.385%0.85175%0.753SS**  trans87.3124.3153.100000121.7
735D23.6Very low25.3Very low145 Ų145145.3 Ų145.378%0.77576%0.756SS**  trans-129.6147.6161167.654.8000106.6
736P32.6Very low25.4Very low109 Ų109149.4 Ų149.471%0.70876%0.762SS**  -155.2129.1129.933.8-13.5000118.5
737Q24.2Very low25.4Very low168 Ų168149.4 Ų149.479%0.78576%0.762SS**  trans65.8165.3134.7-60.6-155.8-16.200120.3
738L24.4Very low25.2Very low143 Ų143144.9 Ų144.975%0.74976%0.756SS**  cis-155.7-177.527.9-135.7-175.8000113
739L25.2Very low25.3Very low141 Ų141143.3 Ų143.374%0.73876%0.758SS**  trans75.3154.7175.2-55.2176.2000116.5
740R24.5Very low25.5Very low200 Ų200140.8 Ų140.876%0.75576%0.757SS**  cis85.4135.618.6-83.7179.9173-132.15.8116.3
741H25.7Very low25.4Very low133 Ų133137.4 Ų137.462%0.61675%0.754SS**  cis-148.3158.428.4-119.2-88.1000113.2
742K24.3Very low25.4Very low136 Ų136135.2 Ų135.259%0.59176%0.757SS**  trans31.4158.8139.2-102.5177.5152.5-80.30121.8E744K742-E744 IonicContact NZ-OE2 3.99Å; K742-E744 PolarHBondContact NZ-OE2 3.01Å
743D24.7Very low25.3Very low134 Ų134135.6 Ų135.672%0.71776%0.763SS**  cis-136.8-152.729.7-85.8-60000115
744E25.1Very low25.3Very low149 Ų149136.5 Ų136.570%0.69676%0.758SS**  trans-125.6-178.8-156.4-67.4162.4108.400114.1K742K742-E744 IonicContact NZ-OE2 3.99Å; K742-E744 PolarHBondContact NZ-OE2 3.01Å
745E26.6Very low25.6Very low189 Ų189137.8 Ų137.888%0.88376%0.758SS**  trans73.5153.6169-59-177157.600117.5
746E26.8Very low25.6Very low164 Ų164138 Ų13877%0.76676%0.758SS**  cis-146-167.12.5-139.4-138.2120.700113.6
747N24.8Very low25.1Very low148 Ų148136.7 Ų136.779%0.79176%0.764SS**  trans-85.8164.3-170.4-59.1-81.8000115.7
748G24.4Very low25.2Very low75 Ų75132.1 Ų132.177%0.77376%0.762SS**  trans175.2105.8163.800000116
749V27Very low25.2Very low143 Ų143135.2 Ų135.287%0.86777%0.773SS**  trans-101.3142173.8-176.60000109.6
750P29.7Very low25.2Very low126 Ų126132.6 Ų132.682%0.81878%0.78SS**  -137.3160122.438.1-28.6000113.1
751G22.6Very low25.2Very low61 Ų61126.5 Ų126.563%0.62978%0.779SS**  trans-140.7-158.8164.800000110.5
752S24.4Very low25.2Very low119 Ų119126.6 Ų126.683%0.83279%0.789SS**  trans86.7132.8171.379.50000119.5
753C22.7Very low25.3Very low127 Ų127128.2 Ų128.286%0.85880%0.799SS**  trans83.8149.6146-67.80000122.6
754E24.6Very low25.3Very low153 Ų153130.7 Ų130.772%0.71581%0.808SS**  trans-89.1-171.9-171.6-52.2173129.300112L756E754-L756 WeakPolarHBondContact OE2-CD1 3.45Å
755P29.6Very low25.4Very low131 Ų131129.4 Ų129.485%0.85181%0.81SS**  -140.1166.29438.8-26.9000115.9
756L23.4Very low25.5Very low150 Ų150128.2 Ų128.279%0.78581%0.809SS**  trans-94.4164.8175.5-52.499.3000113.3E754E754-L756 WeakPolarHBondContact OE2-CD1 3.45Å
757G23.3Very low25.4Very low80 Ų80128.3 Ų128.383%0.82581%0.812SS**  trans120.9142.3134.400000119.5
758G24.8Very low25.5Very low73 Ų73129.7 Ų129.775%0.75381%0.813SS**  trans86.7106.4169.600000114.2
759E24.7Very low25.6Very low207 Ų207133.2 Ų133.297%0.96782%0.815SS**  70.8137.756.2-64.8-152.7128.800116.1
760G25.8Very low25.9Very low86 Ų86134.9 Ų134.989%0.88781%0.813SS**  trans120.5137.8179.500000113
761G24.5Very low25.9Very low72 Ų72134.9 Ų134.974%0.74281%0.811SS**  trans-165.5-168.5-179.700000114.4
762V25.9Very low26.3Very low136 Ų136137.1 Ų137.182%0.82481%0.812SS**  trans83.4123.2-179.2-171.10000116.2
763E26.4Very low26.8Very low169 Ų169143.5 Ų143.579%0.7982%0.818SS**  trans4.9132.2162.9-56.8179.7108.400121.7
764M25Very low27.5Very low186 Ų186146.1 Ų146.192%0.91682%0.815SS**  -149.4146111.2-146.8171.2-68.700112.4
765V27.5Very low28.5Very low123 Ų123144.1 Ų144.175%0.74581%0.809SS**  trans-89.1139.1173.2172.70000109.8
766L27Very low29.5Very low164 Ų164141.2 Ų141.286%0.85979%0.791SS**  trans-155.8172.6149.3-111.5172.2000111.7
767M25.6Very low31Very low166 Ų166139 Ų13982%0.81879%0.786SS**  trans-95.9176.9-158.5-67-179.363.500115.3
768E27.7Very low32.5Very low176 Ų176138.2 Ų138.282%0.82277%0.772SS**  trans-54.2149.8175.4-55.8173.7109.100113.9
769D25Very low34Very low150 Ų150136.6 Ų136.680%0.80275%0.751SS**  trans-132.9149.8145.9-167.515000110.1T771D769-T771 PolarHBondContact O-N 3.4Å
770Q34.3Very low35.6Very low178 Ų178130.7 Ų130.783%0.83273%0.726SS**  trans-93.690.1-170-67.4-176.612.600112.3
771T28.4Very low37.4Very low126 Ų126134.2 Ų134.277%0.77372%0.717SS**  trans-94.7139.2164.752.50000112.3D769D769-T771 PolarHBondContact O-N 3.4Å
772T32Very low39.3Very low108 Ų108138.8 Ų138.866%0.66372%0.716SS**  trans-60.7140.5-178.639.70000112.5F774T772-F774 VanDerWaalsContact C-N 3.34Å; T772-F774 WeakPolarHBondContact O-CD2 3.47Å; T772-F774 PolarHBondContact O-N 3.05Å; T772-F774 WeakPolarHBondContact OG1-CE2 3.36Å
773R33.8Very low41.2Very low253 Ų253137 Ų13796%0.95570%0.699SS**  trans-70.684.2178.7-73.1-175.4177.3174.6-0.4111.7L775R773-L775 PolarHBondContact O-N 2.67Å
774F38.7Very low43.1Very low182 Ų182133.3 Ų133.380%0.79868%0.684SS**PPolyproline II helixtrans-63.3126.4162.5-72.2-84.9000109.8T772T772-F774 VanDerWaalsContact C-N 3.34Å; T772-F774 WeakPolarHBondContact O-CD2 3.47Å; T772-F774 PolarHBondContact O-N 3.05Å; T772-F774 WeakPolarHBondContact OG1-CE2 3.36Å
775L44.8Very low45.2Very low111 Ų111130.4 Ų130.458%0.58167%0.667SS**PPolyproline II helixtrans-63.8135.2170.3-73.6167.4000109.1R773 A779 L780R773-L775 PolarHBondContact O-N 2.67Å; L775-A779 HydrophobicContact CB-CB 4.48Å; L775-A779 HydrophobicContact CD2-CB 4.32Å; L775-L780 HydrophobicContact CB-CB 4.47Å; L775-L780 HydrophobicContact CD1-CD1 4.34Å
776S51.1Low47.2Very low69 Ų69125.8 Ų125.848%0.48365%0.645SS.*PPolyproline II helixtrans-60.5149.8176730000110.6A778 A779 L780S776-A778 PolarHBondContact O-N 3.24Å; S776-A779 WeakPolarHBondContact O-CA 3.33Å; S776-A779 WeakPolarHBondContact O-CB 3.34Å; S776-A779 PolarHBondContact O-N 3.31Å; S776-A779 WeakPolarHBondContact OG-CB 3.2Å; S776-A779 PolarHBondContact OG-N 2.99Å; S776-L780 PolarHBondContact O-N 2.82Å
777P54.3Low49.4Very low103 Ų103122.3 Ų122.367%0.66962%0.624SS**Hα-helixtrans-55.3-30.4-178.9-28.836.1000113.7K781P777-K781 WeakPolarHBondContact O-CB 3.22Å; P777-K781 VanDerWaalsContact O-CG 3.31Å; P777-K781 WeakPolarHBondContact O-CG 3.42Å; P777-K781 PolarHBondContact O-N 3.21Å
778A55.4Low51.7Low64 Ų64115.4 Ų115.453%0.52959%0.592SS.*Hα-helixtrans-72.6-38.3173.700000113.2S776 K782S776-A778 PolarHBondContact O-N 3.24Å; A778-K782 WeakPolarHBondContact O-CG 3.41Å; A778-K782 PolarHBondContact O-N 2.8Å; A778-K782 VanDerWaalsContact O-N 3.08Å
779A56.3Low54.1Low39 Ų39109.7 Ų109.732%0.32257%0.569SS.*Hα-helixtrans-68.2-41.7174.400000111.5L775 S776 K782 H783L775-A779 HydrophobicContact CB-CB 4.48Å; L775-A779 HydrophobicContact CD2-CB 4.32Å; S776-A779 WeakPolarHBondContact O-CA 3.33Å; S776-A779 WeakPolarHBondContact O-CB 3.34Å; S776-A779 PolarHBondContact O-N 3.31Å; S776-A779 WeakPolarHBondContact OG-CB 3.2Å; S776-A779 PolarHBondContact OG-N 2.99Å; A779-K782 PolarHBondContact O-N 3.44Å; A779-H783 PolarHBondContact O-N 3.46Å
780L57.9Low56.7Low84 Ų84108.8 Ų108.844%0.4456%0.558SS.*Hα-helixtrans-64.5-45.1176.8-170.865.5000111.6L775 S776 K782 H783 I784L775-L780 HydrophobicContact CB-CB 4.47Å; L775-L780 HydrophobicContact CD1-CD1 4.34Å; S776-L780 PolarHBondContact O-N 2.82Å; L780-K782 VanDerWaalsContact C-N 3.31Å; L780-K782 PolarHBondContact O-N 3.05Å; L780-H783 PolarHBondContact O-N 2.64Å; L780-H783 VanDerWaalsContact O-N 3.15Å; L780-I784 HydrophobicContact CG-CD1 4.05Å; L780-I784 WeakPolarHBondContact O-CG1 3.35Å; L780-I784 PolarHBondContact O-N 3.03Å
781K63.1Low59Low160 Ų160102.9 Ų102.970%0.69653%0.534SS*.Hα-helixtrans-58.2-40172.5-79.1-179.4176.8-175.40112.4P777 H785P777-K781 WeakPolarHBondContact O-CB 3.22Å; P777-K781 VanDerWaalsContact O-CG 3.31Å; P777-K781 WeakPolarHBondContact O-CG 3.42Å; P777-K781 PolarHBondContact O-N 3.21Å; K781-H785 WeakPolarHBondContact O-CB 3.17Å; K781-H785 PolarHBondContact O-N 3.23Å
782K65Low61.7Low167 Ų16797.7 Ų97.773%0.72650%0.501SS*.Hα-helixtrans-66.5-37.4174.6-77.8-179.1177-1770112.8A778 A779 L780 G786A778-K782 WeakPolarHBondContact O-CG 3.41Å; A778-K782 PolarHBondContact O-N 2.8Å; A778-K782 VanDerWaalsContact O-N 3.08Å; A779-K782 PolarHBondContact O-N 3.44Å; L780-K782 VanDerWaalsContact C-N 3.31Å; L780-K782 PolarHBondContact O-N 3.05Å; K782-G786 PolarHBondContact O-N 3.35Å
783H66.3Low64.2Low100 Ų10097.1 Ų97.146%0.46349%0.494SS..Hα-helixtrans-63.9-52.5175.7-162.2-81.2000111.4A779 L780 H785 G786 E787A779-H783 PolarHBondContact O-N 3.46Å; L780-H783 PolarHBondContact O-N 2.64Å; L780-H783 VanDerWaalsContact O-N 3.15Å; H783-H785 VanDerWaalsContact C-N 3.33Å; H783-H785 PolarHBondContact O-N 3.19Å; H783-G786 CarbonylContact O-C 3.48Å; H783-G786 WeakPolarHBondContact O-CA 3.27Å; H783-G786 PolarHBondContact O-N 2.94Å; H783-E787 IonicContact CE1-OE1 3.7Å; H783-E787 PolarHBondContact CE1-OE1 3.01Å; H783-E787 VanDerWaalsContact CE1-OE1 3.29Å; H783-E787 IonicContact CE1-OE2 3.64Å; H783-E787 PolarHBondContact CE1-OE2 3.07Å; H783-E787 VanDerWaalsContact CE1-OE2 3.27Å; H783-E787 IonicContact ND1-OE1 3.3Å; H783-E787 IonicContact ND1-OE2 2.77Å; H783-E787 PolarHBondContact ND1-OE2 2.99Å; H783-E787 PolarHBondContact O-N 2.81Å
784I65.2Low66.7Low91 Ų9191.3 Ų91.347%0.46748%0.478SS..Hα-helixtrans-57.7-45.9179.6-66166.2000110.5L780 G786 E787 T788L780-I784 HydrophobicContact CG-CD1 4.05Å; L780-I784 WeakPolarHBondContact O-CG1 3.35Å; L780-I784 PolarHBondContact O-N 3.03Å; I784-G786 VanDerWaalsContact C-N 3.31Å; I784-G786 PolarHBondContact O-N 3.14Å; I784-E787 PolarHBondContact O-N 2.83Å; I784-E787 VanDerWaalsContact O-N 3.12Å; I784-T788 WeakPolarHBondContact O-CB 3.31Å; I784-T788 PolarHBondContact O-N 2.99Å; I784-T788 PolarHBondContact O-OG1 2.94Å
785H70.1Confident69Low124 Ų12483.1 Ų83.157%0.57444%0.442SS*.Hα-helixtrans-62.7-36.8175.6-17084000112.5K781 H783 E787 T789K781-H785 WeakPolarHBondContact O-CB 3.17Å; K781-H785 PolarHBondContact O-N 3.23Å; H783-H785 VanDerWaalsContact C-N 3.33Å; H783-H785 PolarHBondContact O-N 3.19Å; H785-E787 VanDerWaalsContact C-N 3.29Å; H785-E787 PolarHBondContact O-N 3.4Å; H785-T789 WeakPolarHBondContact O-CB 3.49Å; H785-T789 WeakPolarHBondContact O-CG2 3.48Å; H785-T789 PolarHBondContact O-N 2.96Å; H785-T789 PolarHBondContact O-OG1 3.43Å
786G70.3Confident70.9Confident27 Ų2782.7 Ų82.728%0.27843%0.433SS..Hα-helixtrans-68.8-19.5173.900000115K782 H783 I784 T789 K790K782-G786 PolarHBondContact O-N 3.35Å; H783-G786 CarbonylContact O-C 3.48Å; H783-G786 WeakPolarHBondContact O-CA 3.27Å; H783-G786 PolarHBondContact O-N 2.94Å; I784-G786 VanDerWaalsContact C-N 3.31Å; I784-G786 PolarHBondContact O-N 3.14Å; G786-T789 WeakPolarHBondContact CA-OG1 3.27Å; G786-T789 PolarHBondContact O-OG1 2.94Å; G786-K790 WeakPolarHBondContact O-CD 3.45Å; G786-K790 WeakPolarHBondContact O-CE 3.2Å; G786-K790 VanDerWaalsContact O-CG 3.31Å; G786-K790 WeakPolarHBondContact O-CG 3.49Å
787E72.1Confident72.6Confident90 Ų9084.1 Ų84.142%0.42144%0.439SS..Hα-helixtrans-90.9-47.3173.8-70.2175.5125.400111.3H783 I784 H785 T789 K790 V791H783-E787 IonicContact CE1-OE1 3.7Å; H783-E787 PolarHBondContact CE1-OE1 3.01Å; H783-E787 VanDerWaalsContact CE1-OE1 3.29Å; H783-E787 IonicContact CE1-OE2 3.64Å; H783-E787 PolarHBondContact CE1-OE2 3.07Å; H783-E787 VanDerWaalsContact CE1-OE2 3.27Å; H783-E787 IonicContact ND1-OE1 3.3Å; H783-E787 IonicContact ND1-OE2 2.77Å; H783-E787 PolarHBondContact ND1-OE2 2.99Å; H783-E787 PolarHBondContact O-N 2.81Å; I784-E787 PolarHBondContact O-N 2.83Å; I784-E787 VanDerWaalsContact O-N 3.12Å; H785-E787 VanDerWaalsContact C-N 3.29Å; H785-E787 PolarHBondContact O-N 3.4Å; E787-T789 VanDerWaalsContact C-N 3.26Å; E787-T789 PolarHBondContact O-N 2.85Å; E787-K790 WeakPolarHBondContact O-CB 3.43Å; E787-K790 PolarHBondContact O-N 3.29Å; E787-V791 PolarHBondContact O-N 3.45Å
788T73.8Confident74.2Confident22 Ų2283.1 Ų83.114%0.13543%0.427CS..Hα-helixtrans-53.3-41.4172.1-740000112.2I784 V791 N792 Q821I784-T788 WeakPolarHBondContact O-CB 3.31Å; I784-T788 PolarHBondContact O-N 2.99Å; I784-T788 PolarHBondContact O-OG1 2.94Å; T788-V791 PolarHBondContact O-N 3.22Å; T788-N792 WeakPolarHBondContact O-CB 3.48Å; T788-N792 VanDerWaalsContact O-CG 3.24Å; T788-N792 PolarHBondContact O-N 3.28Å; T788-N792 PolarHBondContact O-ND2 3.21Å; T788-Q821 HydrophobicContact CG2-CB 3.7Å; T788-Q821 WeakPolarHBondContact CG2-O 3.41Å; T788-Q821 PolarHBondContact OG1-OE1 2.77Å; T788-Q821 VanDerWaalsContact OG1-OE1 3.06Å
789T77.5Confident75.6Confident55 Ų5580.1 Ų80.134%0.33740%0.402SS..Hα-helixtrans-69-30.1176.946.90000113.8H785 G786 E787 N793H785-T789 WeakPolarHBondContact O-CB 3.49Å; H785-T789 WeakPolarHBondContact O-CG2 3.48Å; H785-T789 PolarHBondContact O-N 2.96Å; H785-T789 PolarHBondContact O-OG1 3.43Å; G786-T789 WeakPolarHBondContact CA-OG1 3.27Å; G786-T789 PolarHBondContact O-OG1 2.94Å; E787-T789 VanDerWaalsContact C-N 3.26Å; E787-T789 PolarHBondContact O-N 2.85Å; T789-N793 WeakPolarHBondContact O-CB 3.44Å; T789-N793 VanDerWaalsContact O-CG 3.3Å; T789-N793 PolarHBondContact O-N 3.43Å; T789-N793 VanDerWaalsContact O-N 3.17Å; T789-N793 PolarHBondContact O-ND2 2.74Å
790K79.9Confident77Confident131 Ų13179.7 Ų79.757%0.5740%0.396SS*.Hα-helixtrans-67.5-51.4171.9-69.3166.6-171.3170.30110.8G786 E787 N792 N793 E794G786-K790 WeakPolarHBondContact O-CD 3.45Å; G786-K790 WeakPolarHBondContact O-CE 3.2Å; G786-K790 VanDerWaalsContact O-CG 3.31Å; G786-K790 WeakPolarHBondContact O-CG 3.49Å; E787-K790 WeakPolarHBondContact O-CB 3.43Å; E787-K790 PolarHBondContact O-N 3.29Å; K790-N792 VanDerWaalsContact C-N 3.31Å; K790-N792 PolarHBondContact O-N 3.22Å; K790-N793 WeakPolarHBondContact O-CB 3.1Å; K790-N793 PolarHBondContact O-N 3.04Å; K790-E794 PolarHBondContact O-N 3.38Å
791V82.9Confident78.4Confident55 Ų5582.3 Ų82.333%0.33340%0.403SS..Hα-helixtrans-56.9-44.5179.1175.50000111.1E787 T788 N793 E794 L795E787-V791 PolarHBondContact O-N 3.45Å; T788-V791 PolarHBondContact O-N 3.22Å; V791-N793 VanDerWaalsContact C-N 3.34Å; V791-N793 PolarHBondContact O-N 3.1Å; V791-E794 PolarHBondContact O-N 3.02Å; V791-L795 HydrophobicContact CG1-CD1 4.24Å; V791-L795 WeakPolarHBondContact O-CG 3.33Å; V791-L795 PolarHBondContact O-N 2.9Å
792N85.4Confident79.4Confident16 Ų1677.1 Ų77.19%0.08638%0.382CS..Hα-helixtrans-63.7-36.4176.3-71.7-14.1000112.9T788 K790 R796 Q821 F830T788-N792 WeakPolarHBondContact O-CB 3.48Å; T788-N792 VanDerWaalsContact O-CG 3.24Å; T788-N792 PolarHBondContact O-N 3.28Å; T788-N792 PolarHBondContact O-ND2 3.21Å; K790-N792 VanDerWaalsContact C-N 3.31Å; K790-N792 PolarHBondContact O-N 3.22Å; N792-R796 WeakPolarHBondContact O-CB 3.43Å; N792-R796 PolarHBondContact O-N 3.32Å; N792-Q821 PolarHBondContact ND2-O 2.92Å; N792-Q821 PolarHBondContact OD1-N 2.9Å; N792-Q821 VanDerWaalsContact OD1-N 3.1Å; N792-Q821 PolarHBondContact OD1-O 3.25Å; N792-F830 HydrophobicContact CB-CE2 4.18Å; N792-F830 VanDerWaalsContact O-CE2 3.24Å; N792-F830 WeakPolarHBondContact O-CE2 3.35Å; N792-F830 VanDerWaalsContact O-CZ 3.27Å; N792-F830 WeakPolarHBondContact O-CZ 3.25Å
793N85.1Confident80.4Confident97 Ų9769.2 Ų69.252%0.51935%0.348SS..Hα-helixtrans-68.2-38.3175.7-77.6-36.4000112.2T789 K790 V791 R796 V797T789-N793 WeakPolarHBondContact O-CB 3.44Å; T789-N793 VanDerWaalsContact O-CG 3.3Å; T789-N793 PolarHBondContact O-N 3.43Å; T789-N793 VanDerWaalsContact O-N 3.17Å; T789-N793 PolarHBondContact O-ND2 2.74Å; K790-N793 WeakPolarHBondContact O-CB 3.1Å; K790-N793 PolarHBondContact O-N 3.04Å; V791-N793 VanDerWaalsContact C-N 3.34Å; V791-N793 PolarHBondContact O-N 3.1Å; N793-R796 WeakPolarHBondContact O-CB 3.3Å; N793-R796 PolarHBondContact O-N 2.89Å; N793-V797 WeakPolarHBondContact O-CG2 3.27Å; N793-V797 PolarHBondContact O-N 3.39Å; N793-V797 VanDerWaalsContact O-N 3.11Å
794E86.6Confident81.2Confident130 Ų13071.1 Ų71.161%0.60735%0.351SS*.Hα-helixtrans-64.1-46.3173.2-69.7173.9-163.800111.5K790 V791 R796 V797 L798K790-E794 PolarHBondContact O-N 3.38Å; V791-E794 PolarHBondContact O-N 3.02Å; E794-R796 VanDerWaalsContact C-N 3.26Å; E794-R796 PolarHBondContact O-N 3.41Å; E794-V797 PolarHBondContact O-N 2.84Å; E794-V797 VanDerWaalsContact O-N 3.14Å; E794-L798 WeakPolarHBondContact O-CG 3.48Å; E794-L798 PolarHBondContact O-N 3.33Å
795L85.8Confident82.1Confident10 Ų1071.2 Ų71.25%0.05235%0.348CS..Hα-helixtrans-56.6-39.2172.1-71.7173.4000111.9V791 V797 L798 I799 L816 Q819 I820 F830V791-L795 HydrophobicContact CG1-CD1 4.24Å; V791-L795 WeakPolarHBondContact O-CG 3.33Å; V791-L795 PolarHBondContact O-N 2.9Å; L795-V797 PolarHBondContact O-N 3.23Å; L795-L798 PolarHBondContact O-N 2.98Å; L795-I799 WeakPolarHBondContact O-CB 3.11Å; L795-I799 VanDerWaalsContact O-CG1 3.31Å; L795-I799 WeakPolarHBondContact O-CG1 3.28Å; L795-I799 PolarHBondContact O-N 2.87Å; L795-L816 HydrophobicContact CD2-CB 4.4Å; L795-L816 HydrophobicContact CD2-CD2 3.79Å; L795-Q819 HydrophobicContact CD1-CB 4.08Å; L795-Q819 HydrophobicContact CD2-CB 4.22Å; L795-I820 HydrophobicContact CD1-CG1 4.26Å; L795-F830 HydrophobicContact CB-CZ 4.38Å
796R85.8Confident82.1Confident102 Ų10271.5 Ų71.539%0.38536%0.361SS..Hα-helixtrans-62.6-42.1177.2-166.2177.2-179.91654.9111.7N792 N793 E794 T800 F830 N833N792-R796 WeakPolarHBondContact O-CB 3.43Å; N792-R796 PolarHBondContact O-N 3.32Å; N793-R796 WeakPolarHBondContact O-CB 3.3Å; N793-R796 PolarHBondContact O-N 2.89Å; E794-R796 VanDerWaalsContact C-N 3.26Å; E794-R796 PolarHBondContact O-N 3.41Å; R796-T800 VanDerWaalsContact O-CB 3.29Å; R796-T800 WeakPolarHBondContact O-CB 3.29Å; R796-T800 PolarHBondContact O-N 3.06Å; R796-T800 PolarHBondContact O-OG1 2.95Å; R796-F830 HydrophobicContact CB-CE2 3.8Å; R796-F830 HydrophobicContact CB-CZ 3.64Å; R796-F830 HydrophobicContact CG-CE2 4.24Å; R796-F830 HydrophobicContact CG-CZ 4.21Å; R796-N833 PolarHBondContact NH2-OD1 3.2Å
797V86.5Confident82.3Confident100 Ų10072.3 Ų72.361%0.60637%0.369SS*.Hα-helixtrans-66.3-44.1176.8173.80000110.9N793 E794 L795 T800 K801N793-V797 WeakPolarHBondContact O-CG2 3.27Å; N793-V797 PolarHBondContact O-N 3.39Å; N793-V797 VanDerWaalsContact O-N 3.11Å; E794-V797 PolarHBondContact O-N 2.84Å; E794-V797 VanDerWaalsContact O-N 3.14Å; L795-V797 PolarHBondContact O-N 3.23Å; V797-T800 PolarHBondContact O-N 2.74Å; V797-K801 WeakPolarHBondContact O-CB 3.49Å; V797-K801 PolarHBondContact O-N 3.48Å
798L86.5Confident82.3Confident82 Ų8277.7 Ų77.743%0.42939%0.385SS..Hα-helixtrans-62.1-48.6177.3-68.8172.8000112.1E794 L795 T800 K801 E802 L816E794-L798 WeakPolarHBondContact O-CG 3.48Å; E794-L798 PolarHBondContact O-N 3.33Å; L795-L798 PolarHBondContact O-N 2.98Å; L798-T800 PolarHBondContact O-N 3.16Å; L798-K801 WeakPolarHBondContact O-CB 3.45Å; L798-K801 PolarHBondContact O-N 3.1Å; L798-K801 VanDerWaalsContact O-N 3.13Å; L798-E802 PolarHBondContact O-N 3.06Å; L798-L816 HydrophobicContact CB-CD1 4.07Å; L798-L816 HydrophobicContact CD1-CD2 4.4Å
799I85.9Confident82.5Confident0 Ų084.5 Ų84.50%042%0.415CS..Hα-helixtrans-62.4-43.6177.8-68.2165.6000110.9L795 K801 E802 I803 I813 L816 L817 F830 I834L795-I799 WeakPolarHBondContact O-CB 3.11Å; L795-I799 VanDerWaalsContact O-CG1 3.31Å; L795-I799 WeakPolarHBondContact O-CG1 3.28Å; L795-I799 PolarHBondContact O-N 2.87Å; I799-K801 PolarHBondContact O-N 3.03Å; I799-E802 PolarHBondContact O-N 2.9Å; I799-E802 VanDerWaalsContact O-N 3.15Å; I799-I803 HydrophobicContact CG2-CD1 3.7Å; I799-I803 HydrophobicContact CG2-CG1 4.27Å; I799-I803 VanDerWaalsContact O-CG1 3.31Å; I799-I803 WeakPolarHBondContact O-CG1 3.19Å; I799-I803 PolarHBondContact O-N 3.21Å; I799-I813 HydrophobicContact CG2-CG2 3.82Å; I799-L816 HydrophobicContact CD1-CB 3.81Å; I799-L816 HydrophobicContact CG1-CB 3.59Å; I799-L816 HydrophobicContact CG1-CD1 3.81Å; I799-L816 HydrophobicContact CG1-CG 4.35Å; I799-L817 HydrophobicContact CD1-CD2 4.17Å; I799-L817 HydrophobicContact CD1-CG 4.3Å; I799-F830 HydrophobicContact CD1-CE1 4.12Å; I799-I834 HydrophobicContact CB-CD1 4.44Å; I799-I834 HydrophobicContact CD1-CD1 3.79Å; I799-I834 HydrophobicContact CG2-CD1 3.82Å; I799-I834 HydrophobicContact CG2-CG1 4.02Å; I799-I834 HydrophobicContact CG2-CG2 4.22Å
800T85.3Confident82.7Confident30 Ų3083 Ų8318%0.18440%0.403CS..Hα-helixtrans-60.1-35.2175.6-56.40000111.8R796 V797 L798 R804 E837R796-T800 VanDerWaalsContact O-CB 3.29Å; R796-T800 WeakPolarHBondContact O-CB 3.29Å; R796-T800 PolarHBondContact O-N 3.06Å; R796-T800 PolarHBondContact O-OG1 2.95Å; V797-T800 PolarHBondContact O-N 2.74Å; L798-T800 PolarHBondContact O-N 3.16Å; T800-R804 VanDerWaalsContact O-CG 3.29Å; T800-R804 WeakPolarHBondContact O-CG 3.28Å; T800-R804 PolarHBondContact O-N 3.25Å; T800-E837 HydrophobicContact CG2-CG 4.31Å
801K87.3Confident82.7Confident139 Ų13983.3 Ų83.360%0.60441%0.407SS*.Hα-helixtrans-70.3-35.6176-169.7178-177.8179.30112.8V797 L798 I799V797-K801 WeakPolarHBondContact O-CB 3.49Å; V797-K801 PolarHBondContact O-N 3.48Å; L798-K801 WeakPolarHBondContact O-CB 3.45Å; L798-K801 PolarHBondContact O-N 3.1Å; L798-K801 VanDerWaalsContact O-N 3.13Å; I799-K801 PolarHBondContact O-N 3.03Å
802E85Confident82.7Confident52 Ų5287.6 Ų87.624%0.24342%0.421CS..Hα-helixtrans-72.6-42.1173.8-64.4-54.712800112.3L798 I799 R804 K805 I813L798-E802 PolarHBondContact O-N 3.06Å; I799-E802 PolarHBondContact O-N 2.9Å; I799-E802 VanDerWaalsContact O-N 3.15Å; E802-R804 PolarHBondContact O-N 3.25Å; E802-K805 WeakPolarHBondContact O-CB 3.11Å; E802-K805 PolarHBondContact O-N 2.89Å; E802-K805 WeakPolarHBondContact OE1-CE 3.42Å; E802-K805 IonicContact OE1-NZ 2.82Å; E802-K805 PolarHBondContact OE1-NZ 3.24Å; E802-K805 WeakPolarHBondContact OE2-CE 3.42Å; E802-K805 IonicContact OE2-NZ 2.67Å; E802-K805 PolarHBondContact OE2-NZ 3.17Å; E802-I813 HydrophobicContact CB-CD1 4.45Å; E802-I813 HydrophobicContact CB-CG1 3.94Å
803I84.8Confident82.7Confident1 Ų187 Ų871%0.00542%0.418CS..Hα-helixtrans-56.7-36.8177.6-69.3168.3000111.7I799 K805 I813 I834 F841 K843 L846I799-I803 HydrophobicContact CG2-CD1 3.7Å; I799-I803 HydrophobicContact CG2-CG1 4.27Å; I799-I803 VanDerWaalsContact O-CG1 3.31Å; I799-I803 WeakPolarHBondContact O-CG1 3.19Å; I799-I803 PolarHBondContact O-N 3.21Å; I803-K805 VanDerWaalsContact C-N 3.26Å; I803-K805 PolarHBondContact O-N 3.19Å; I803-I813 HydrophobicContact CG1-CD1 3.77Å; I803-I834 HydrophobicContact CD1-CG2 4Å; I803-F841 HydrophobicContact CG2-CB 4.46Å; I803-F841 HydrophobicContact CG2-CD2 3.79Å; I803-F841 HydrophobicContact CG2-CG 4.44Å; I803-K843 WeakPolarHBondContact O-CE 3.46Å; I803-L846 HydrophobicContact CG1-CD2 4.07Å
804R83.9Confident82.6Confident140 Ų14084 Ų8453%0.52840%0.4SS..THydrogen-bonded Turntrans-72-10179.5-74174.2-173.4-166.73.5114.6T800 E802 E837 F841T800-R804 VanDerWaalsContact O-CG 3.29Å; T800-R804 WeakPolarHBondContact O-CG 3.28Å; T800-R804 PolarHBondContact O-N 3.25Å; E802-R804 PolarHBondContact O-N 3.25Å; R804-E837 IonicContact CZ-OE1 3.05Å; R804-E837 IonicContact NE-OE1 3.88Å; R804-E837 IonicContact NH2-OE1 2.71Å; R804-E837 PolarHBondContact NH2-OE1 3.35Å; R804-F841 HydrophobicContact CG-CD2 4.33Å; R804-F841 HydrophobicContact CG-CE1 4.1Å; R804-F841 HydrophobicContact CG-CE2 3.64Å; R804-F841 HydrophobicContact CG-CZ 3.53Å
805K83.7Confident82.5Confident93 Ų9381.9 Ų81.940%0.40440%0.396SS..SBendtrans-75.9144.6179.8-66.4-178.2-172.9169.20112.2E802 I803 K843E802-K805 WeakPolarHBondContact O-CB 3.11Å; E802-K805 PolarHBondContact O-N 2.89Å; E802-K805 WeakPolarHBondContact OE1-CE 3.42Å; E802-K805 IonicContact OE1-NZ 2.82Å; E802-K805 PolarHBondContact OE1-NZ 3.24Å; E802-K805 WeakPolarHBondContact OE2-CE 3.42Å; E802-K805 IonicContact OE2-NZ 2.67Å; E802-K805 PolarHBondContact OE2-NZ 3.17Å; I803-K805 VanDerWaalsContact C-N 3.26Å; I803-K805 PolarHBondContact O-N 3.19Å; K805-K843 PolarHBondContact O-NZ 3.25Å
806P70.6Confident82.4Confident130 Ų13082.7 Ų82.784%0.84440%0.4SS*.SBendtrans-65.8140.5164.429.8-33.7000109.8
807G74.8Confident82.3Confident44 Ų4478.3 Ų78.345%0.45438%0.384SS..SBendtrans128.3173.4-177.100000114.3K843G807-K843 PolarHBondContact O-NZ 3.25Å; G807-K843 VanDerWaalsContact O-NZ 3.12Å
808R72.1Confident82.1Confident203 Ų20380.8 Ų80.877%0.76639%0.387SS*.SBendtrans-119.46.3-179.8-62.8-173.4-178.9-169.41.6114.2Y810R808-Y810 HydrophobicContact CB-CE2 4.5Å; R808-Y810 WeakPolarHBondContact O-CD2 3.43Å; R808-Y810 WeakPolarHBondContact O-CE2 3.43Å; R808-Y810 PolarHBondContact O-N 3.39Å
809H77.9Confident81.9Confident165 Ų16581.9 Ų81.976%0.76439%0.39SS*.  trans-85.399.9-179.9-59.9-76.5000110.4
810Y81.3Confident81.7Confident22 Ų2282.1 Ų82.19%0.08639%0.391CS..  trans-102.4-5.8-172.6-55.6-51000114.8R808 K812 I813 F814 K843 V845 L846R808-Y810 HydrophobicContact CB-CE2 4.5Å; R808-Y810 WeakPolarHBondContact O-CD2 3.43Å; R808-Y810 WeakPolarHBondContact O-CE2 3.43Å; R808-Y810 PolarHBondContact O-N 3.39Å; Y810-K812 PolarHBondContact O-N 3.02Å; Y810-I813 HydrophobicContact CD1-CD1 4.11Å; Y810-I813 WeakPolarHBondContact O-CB 3.33Å; Y810-I813 PolarHBondContact O-N 3Å; Y810-F814 WeakPolarHBondContact O-CD2 3.45Å; Y810-F814 PolarHBondContact O-N 2.74Å; Y810-K843 HydrophobicContact CE1-CD 4.35Å; Y810-V845 HydrophobicContact CE2-CB 4.36Å; Y810-V845 HydrophobicContact CE2-CG1 4.35Å; Y810-L846 HydrophobicContact CD1-CB 4.24Å; Y810-L846 HydrophobicContact CD1-CD1 4.08Å; Y810-L846 HydrophobicContact CD1-CD2 4.13Å; Y810-L846 HydrophobicContact CD1-CG 4.38Å; Y810-L846 HydrophobicContact CD2-CB 4Å; Y810-L846 HydrophobicContact CD2-CD1 4.23Å; Y810-L846 HydrophobicContact CE1-CB 4.08Å; Y810-L846 HydrophobicContact CE1-CD2 4.22Å; Y810-L846 HydrophobicContact CE2-CB 3.83Å; Y810-L846 HydrophobicContact CG-CB 4.21Å; Y810-L846 HydrophobicContact CG-CD1 3.81Å; Y810-L846 HydrophobicContact CG-CG 4.43Å
811E80.4Confident81.2Confident139 Ų13984.9 Ų84.965%0.6540%0.402SS*.Hα-helixtrans-46.5-42.5-178-66.2150.4-13700113.6I813 F814 V815E811-I813 VanDerWaalsContact C-N 3.27Å; E811-I813 PolarHBondContact O-N 2.81Å; E811-F814 PolarHBondContact O-N 2.71Å; E811-F814 VanDerWaalsContact O-N 3.11Å; E811-V815 WeakPolarHBondContact O-CG2 3.21Å; E811-V815 PolarHBondContact O-N 3.4Å
812K82.6Confident80.8Confident144 Ų14480.3 Ų80.363%0.62639%0.394SS*.Hα-helixtrans-62.5-30.8179.4-65.4-176.8179.1-179.70113.2Y810 L816Y810-K812 PolarHBondContact O-N 3.02Å; K812-L816 VanDerWaalsContact O-CG 3.31Å; K812-L816 WeakPolarHBondContact O-CG 3.12Å; K812-L816 PolarHBondContact O-N 3.15Å; K812-L816 VanDerWaalsContact O-N 3.14Å
813I84.4Confident80.5Confident4 Ų481.7 Ų81.72%0.02141%0.407CS..Hα-helixtrans-68.2-44.5174.7-60.8165.4000109.5I799 E802 I803 Y810 E811 V815 L816 L817 L846I799-I813 HydrophobicContact CG2-CG2 3.82Å; E802-I813 HydrophobicContact CB-CD1 4.45Å; E802-I813 HydrophobicContact CB-CG1 3.94Å; I803-I813 HydrophobicContact CG1-CD1 3.77Å; Y810-I813 HydrophobicContact CD1-CD1 4.11Å; Y810-I813 WeakPolarHBondContact O-CB 3.33Å; Y810-I813 PolarHBondContact O-N 3Å; E811-I813 VanDerWaalsContact C-N 3.27Å; E811-I813 PolarHBondContact O-N 2.81Å; I813-V815 VanDerWaalsContact C-N 3.35Å; I813-V815 PolarHBondContact O-N 2.89Å; I813-L816 PolarHBondContact O-N 3.29Å; I813-L817 HydrophobicContact CG2-CD1 4.01Å; I813-L817 HydrophobicContact CG2-CG 4.31Å; I813-L817 WeakPolarHBondContact O-CB 3.33Å; I813-L817 VanDerWaalsContact O-CG 3.3Å; I813-L817 WeakPolarHBondContact O-CG 3.43Å; I813-L817 PolarHBondContact O-N 3.06Å; I813-L846 HydrophobicContact CD1-CD1 4.08Å; I813-L846 HydrophobicContact CD1-CD2 3.85Å
814F84Confident80Confident34 Ų3484.8 Ų84.815%0.14942%0.423CS..Hα-helixtrans-68.4-29.5177.8-66.2-77.7000113.7Y810 E811 L817 K818 L846 Q849 L850 F853Y810-F814 WeakPolarHBondContact O-CD2 3.45Å; Y810-F814 PolarHBondContact O-N 2.74Å; E811-F814 PolarHBondContact O-N 2.71Å; E811-F814 VanDerWaalsContact O-N 3.11Å; F814-L817 HydrophobicContact CD1-CD1 3.95Å; F814-L817 HydrophobicContact CE1-CD1 4.2Å; F814-K818 WeakPolarHBondContact O-CG 3.46Å; F814-K818 PolarHBondContact O-N 3.04Å; F814-L846 HydrophobicContact CE2-CD1 4.15Å; F814-L846 HydrophobicContact CZ-CD1 4.26Å; F814-Q849 HydrophobicContact CE2-CB 4.14Å; F814-Q849 HydrophobicContact CZ-CB 3.65Å; F814-L850 HydrophobicContact CE1-CD2 3.84Å; F814-L850 HydrophobicContact CE1-CG 4.44Å; F814-L850 HydrophobicContact CZ-CD2 3.93Å; F814-L850 HydrophobicContact CZ-CG 4.16Å; F814-F853 HydrophobicContact CD1-CB 4.46Å; F814-F853 HydrophobicContact CD1-CD1 4.15Å; F814-F853 HydrophobicContact CD1-CD2 4.38Å; F814-F853 HydrophobicContact CD1-CE1 4.49Å; F814-F853 HydrophobicContact CD1-CG 4.08Å; F814-F853 HydrophobicContact CE1-CB 3.92Å; F814-F853 HydrophobicContact CE1-CD1 4.18Å; F814-F853 HydrophobicContact CE1-CG 4.02Å
815V84.3Confident79.7Confident85 Ų8582.7 Ų82.752%0.51542%0.422SS..Hα-helixtrans-65.5-46.7169.5173.90000111.1E811 I813 K818E811-V815 WeakPolarHBondContact O-CG2 3.21Å; E811-V815 PolarHBondContact O-N 3.4Å; I813-V815 VanDerWaalsContact C-N 3.35Å; I813-V815 PolarHBondContact O-N 2.89Å; V815-K818 PolarHBondContact O-N 3.19Å
816L84.2Confident79.5Confident28 Ų2881 Ų8115%0.14742%0.419CS..Hα-helixtrans-67.6-36.1178.3-67.7168000112.4L795 L798 I799 K812 I813 K818 Q819L795-L816 HydrophobicContact CD2-CB 4.4Å; L795-L816 HydrophobicContact CD2-CD2 3.79Å; L798-L816 HydrophobicContact CB-CD1 4.07Å; L798-L816 HydrophobicContact CD1-CD2 4.4Å; I799-L816 HydrophobicContact CD1-CB 3.81Å; I799-L816 HydrophobicContact CG1-CB 3.59Å; I799-L816 HydrophobicContact CG1-CD1 3.81Å; I799-L816 HydrophobicContact CG1-CG 4.35Å; K812-L816 VanDerWaalsContact O-CG 3.31Å; K812-L816 WeakPolarHBondContact O-CG 3.12Å; K812-L816 PolarHBondContact O-N 3.15Å; K812-L816 VanDerWaalsContact O-N 3.14Å; I813-L816 PolarHBondContact O-N 3.29Å; L816-K818 VanDerWaalsContact C-N 3.29Å; L816-K818 PolarHBondContact O-N 2.86Å; L816-Q819 WeakPolarHBondContact O-CB 3.49Å; L816-Q819 PolarHBondContact O-N 3.18Å; L816-Q819 VanDerWaalsContact O-N 3.09Å
817L82.9Confident79.9Confident9 Ų980 Ų805%0.04740%0.399CS..Hα-helixtrans-60.1-37.2174-77.3170.9000112.3I799 I813 F814 Q819 I820 L831 I834 L850 F853I799-L817 HydrophobicContact CD1-CD2 4.17Å; I799-L817 HydrophobicContact CD1-CG 4.3Å; I813-L817 HydrophobicContact CG2-CD1 4.01Å; I813-L817 HydrophobicContact CG2-CG 4.31Å; I813-L817 WeakPolarHBondContact O-CB 3.33Å; I813-L817 VanDerWaalsContact O-CG 3.3Å; I813-L817 WeakPolarHBondContact O-CG 3.43Å; I813-L817 PolarHBondContact O-N 3.06Å; F814-L817 HydrophobicContact CD1-CD1 3.95Å; F814-L817 HydrophobicContact CE1-CD1 4.2Å; L817-Q819 PolarHBondContact O-N 3.25Å; L817-I820 HydrophobicContact CB-CD1 4.5Å; L817-I820 HydrophobicContact CD2-CD1 3.73Å; L817-I820 WeakPolarHBondContact O-CD1 3.35Å; L817-I820 WeakPolarHBondContact O-CG1 3.23Å; L817-I820 PolarHBondContact O-N 3.26Å; L817-L831 HydrophobicContact CD1-CD1 3.96Å; L817-L831 HydrophobicContact CD2-CD1 3.93Å; L817-I834 HydrophobicContact CD2-CD1 3.55Å; L817-L850 HydrophobicContact CD1-CD2 3.52Å; L817-F853 HydrophobicContact CB-CE1 3.98Å; L817-F853 HydrophobicContact CD1-CD1 4.15Å; L817-F853 HydrophobicContact CD1-CE1 4.01Å
818K81.8Confident80.2Confident153 Ų15379.3 Ų79.367%0.66539%0.385SS*.THydrogen-bonded Turntrans-69-13.4176.6-72.8174.1-179.3-1780113.7F814 V815 L816 F853F814-K818 WeakPolarHBondContact O-CG 3.46Å; F814-K818 PolarHBondContact O-N 3.04Å; V815-K818 PolarHBondContact O-N 3.19Å; L816-K818 VanDerWaalsContact C-N 3.29Å; L816-K818 PolarHBondContact O-N 2.86Å; K818-F853 HydrophobicContact CG-CZ 4.37Å
819Q81.9Confident80.7Confident105 Ų10574.2 Ų74.249%0.49137%0.372SS..THydrogen-bonded Turntrans-92.3-4.8179.5-65.4174.8-12.400113.9L795 L816 L817 Q821L795-Q819 HydrophobicContact CD1-CB 4.08Å; L795-Q819 HydrophobicContact CD2-CB 4.22Å; L816-Q819 WeakPolarHBondContact O-CB 3.49Å; L816-Q819 PolarHBondContact O-N 3.18Å; L816-Q819 VanDerWaalsContact O-N 3.09Å; L817-Q819 PolarHBondContact O-N 3.25Å; Q819-Q821 PolarHBondContact O-N 2.91Å
820I81.9Confident81.1Confident4 Ų467.3 Ų67.32%0.02134%0.34CS..  trans-64.8126.8-179.5-60.2163.6000110.7L795 L817 R827 F830L795-I820 HydrophobicContact CD1-CG1 4.26Å; L817-I820 HydrophobicContact CB-CD1 4.5Å; L817-I820 HydrophobicContact CD2-CD1 3.73Å; L817-I820 WeakPolarHBondContact O-CD1 3.35Å; L817-I820 WeakPolarHBondContact O-CG1 3.23Å; L817-I820 PolarHBondContact O-N 3.26Å; I820-R827 HydrophobicContact CB-CG 4.36Å; I820-R827 HydrophobicContact CG2-CG 3.84Å; I820-R827 VanDerWaalsContact O-CZ 3.31Å; I820-R827 PolarHBondContact O-NE 2.88Å; I820-R827 PolarHBondContact O-NH2 3.14Å; I820-F830 HydrophobicContact CD1-CD1 3.27Å; I820-F830 HydrophobicContact CD1-CE1 3.48Å; I820-F830 VanDerWaalsContact CD1-CE1 3.48Å; I820-F830 HydrophobicContact CD1-CG 4.13Å; I820-F830 HydrophobicContact CD1-CZ 4.48Å; I820-F830 HydrophobicContact CG1-CD1 4.07Å; I820-F830 HydrophobicContact CG1-CE1 3.88Å; I820-F830 HydrophobicContact CG1-CZ 4.48Å
821Q74.7Confident81.3Confident89 Ų8966.4 Ų66.442%0.41634%0.336SS..  trans-97.6139.4178-65.3178.14.400110.9T788 N792 Q819T788-Q821 HydrophobicContact CG2-CB 3.7Å; T788-Q821 WeakPolarHBondContact CG2-O 3.41Å; T788-Q821 PolarHBondContact OG1-OE1 2.77Å; T788-Q821 VanDerWaalsContact OG1-OE1 3.06Å; N792-Q821 PolarHBondContact ND2-O 2.92Å; N792-Q821 PolarHBondContact OD1-N 2.9Å; N792-Q821 VanDerWaalsContact OD1-N 3.1Å; N792-Q821 PolarHBondContact OD1-O 3.25Å; Q819-Q821 PolarHBondContact O-N 2.91Å
822G78.7Confident81.5Confident43 Ų4364.2 Ų64.244%0.44333%0.326SS..SBendtrans139-174.9176.900000114.1T826G822-T826 WeakPolarHBondContact CA-OG1 3.47Å
823T78.9Confident81.8Confident81 Ų8159.9 Ų59.950%0.49731%0.31SS..  trans-70.6166.3175.769.50000111.7D825 T826 R827T823-D825 VanDerWaalsContact C-N 3.26Å; T823-D825 PolarHBondContact O-N 2.79Å; T823-D825 PolarHBondContact OG1-OD2 3.26Å; T823-D825 VanDerWaalsContact OG1-OD2 3.07Å; T823-T826 PolarHBondContact N-OG1 2.95Å; T823-T826 PolarHBondContact O-N 3.23Å; T823-T826 PolarHBondContact O-OG1 2.9Å; T823-R827 PolarHBondContact O-N 3.18Å; T823-R827 VanDerWaalsContact O-N 3.15Å
824L75.6Confident82Confident65 Ų6560 Ų6034%0.3431%0.31SS..Hα-helixtrans-49.9-47.7175.1-167.582.8000111.5T826 R827 L828 I857L824-T826 PolarHBondContact O-N 3.43Å; L824-R827 WeakPolarHBondContact O-CB 3.43Å; L824-R827 PolarHBondContact O-N 3.46Å; L824-R827 VanDerWaalsContact O-N 3.07Å; L824-L828 HydrophobicContact CD2-CD1 4.03Å; L824-L828 HydrophobicContact CG-CD1 3.99Å; L824-L828 HydrophobicContact CG-CG 4.38Å; L824-L828 WeakPolarHBondContact O-CG 3.43Å; L824-L828 PolarHBondContact O-N 3.42Å; L824-I857 HydrophobicContact CD1-CG2 3.92Å
825D76.5Confident82.1Confident97 Ų9759.4 Ų59.452%0.51931%0.308SS..Hα-helixtrans-61.9-43-177.1-32-73.6000111.3T823 R827 L828 I829T823-D825 VanDerWaalsContact C-N 3.26Å; T823-D825 PolarHBondContact O-N 2.79Å; T823-D825 PolarHBondContact OG1-OD2 3.26Å; T823-D825 VanDerWaalsContact OG1-OD2 3.07Å; D825-R827 VanDerWaalsContact C-N 3.28Å; D825-R827 PolarHBondContact O-N 3.28Å; D825-L828 PolarHBondContact O-N 3.1Å; D825-I829 WeakPolarHBondContact O-CB 3.5Å; D825-I829 WeakPolarHBondContact O-CD1 3.38Å; D825-I829 VanDerWaalsContact O-CG1 3.23Å; D825-I829 WeakPolarHBondContact O-CG1 3.37Å; D825-I829 PolarHBondContact O-N 3.36Å
826T80.5Confident82.3Confident57 Ų5762 Ų6235%0.3531%0.313SS..Hα-helixtrans-63.1-36.4176.663.10000111.9G822 T823 L824 F830G822-T826 WeakPolarHBondContact CA-OG1 3.47Å; T823-T826 PolarHBondContact N-OG1 2.95Å; T823-T826 PolarHBondContact O-N 3.23Å; T823-T826 PolarHBondContact O-OG1 2.9Å; L824-T826 PolarHBondContact O-N 3.43Å; T826-F830 WeakPolarHBondContact O-CB 3.38Å; T826-F830 PolarHBondContact O-N 3.45Å; T826-F830 VanDerWaalsContact O-N 3.07Å
827R78.6Confident82.5Confident108 Ų10862.3 Ų62.341%0.40831%0.313SS..Hα-helixtrans-69.8-43.4174.9-72.4174.2165.8170.9-3.9112I820 T823 L824 D825 F830 L831I820-R827 HydrophobicContact CB-CG 4.36Å; I820-R827 HydrophobicContact CG2-CG 3.84Å; I820-R827 VanDerWaalsContact O-CZ 3.31Å; I820-R827 PolarHBondContact O-NE 2.88Å; I820-R827 PolarHBondContact O-NH2 3.14Å; T823-R827 PolarHBondContact O-N 3.18Å; T823-R827 VanDerWaalsContact O-N 3.15Å; L824-R827 WeakPolarHBondContact O-CB 3.43Å; L824-R827 PolarHBondContact O-N 3.46Å; L824-R827 VanDerWaalsContact O-N 3.07Å; D825-R827 VanDerWaalsContact C-N 3.28Å; D825-R827 PolarHBondContact O-N 3.28Å; R827-F830 PolarHBondContact O-N 2.93Å; R827-L831 WeakPolarHBondContact O-CB 3.36Å; R827-L831 PolarHBondContact O-N 3.32Å
828L81.6Confident82.7Confident31 Ų3161.9 Ų61.916%0.16231%0.311CS..Hα-helixtrans-63.5-48.4177.5-70.2172.9000111.7L824 D825 F830 L831 Q832 L854 I857L824-L828 HydrophobicContact CD2-CD1 4.03Å; L824-L828 HydrophobicContact CG-CD1 3.99Å; L824-L828 HydrophobicContact CG-CG 4.38Å; L824-L828 WeakPolarHBondContact O-CG 3.43Å; L824-L828 PolarHBondContact O-N 3.42Å; D825-L828 PolarHBondContact O-N 3.1Å; L828-F830 VanDerWaalsContact C-N 3.28Å; L828-F830 PolarHBondContact O-N 3.28Å; L828-L831 PolarHBondContact O-N 3.19Å; L828-Q832 WeakPolarHBondContact O-CG 3.43Å; L828-Q832 PolarHBondContact O-N 2.79Å; L828-L854 HydrophobicContact CD2-CD2 4.19Å; L828-L854 HydrophobicContact CD2-CG 4.03Å; L828-I857 HydrophobicContact CD2-CG2 4.42Å
829I82.9Confident82.9Confident95 Ų9557 Ų5749%0.48730%0.299SS..Hα-helixtrans-60.1-40.6176.1-67.9165.5000110.5D825 N833D825-I829 WeakPolarHBondContact O-CB 3.5Å; D825-I829 WeakPolarHBondContact O-CD1 3.38Å; D825-I829 VanDerWaalsContact O-CG1 3.23Å; D825-I829 WeakPolarHBondContact O-CG1 3.37Å; D825-I829 PolarHBondContact O-N 3.36Å; I829-N833 PolarHBondContact O-N 3.41Å; I829-N833 PolarHBondContact O-ND2 3.19Å
830F84.6Confident83.2Confident21 Ų2160.2 Ų60.29%0.09231%0.307CS..Hα-helixtrans-67.2-41.7178-164.2-87.8000112.2N792 L795 R796 I799 I820 T826 R827 L828 N833 I834N792-F830 HydrophobicContact CB-CE2 4.18Å; N792-F830 VanDerWaalsContact O-CE2 3.24Å; N792-F830 WeakPolarHBondContact O-CE2 3.35Å; N792-F830 VanDerWaalsContact O-CZ 3.27Å; N792-F830 WeakPolarHBondContact O-CZ 3.25Å; L795-F830 HydrophobicContact CB-CZ 4.38Å; R796-F830 HydrophobicContact CB-CE2 3.8Å; R796-F830 HydrophobicContact CB-CZ 3.64Å; R796-F830 HydrophobicContact CG-CE2 4.24Å; R796-F830 HydrophobicContact CG-CZ 4.21Å; I799-F830 HydrophobicContact CD1-CE1 4.12Å; I820-F830 HydrophobicContact CD1-CD1 3.27Å; I820-F830 HydrophobicContact CD1-CE1 3.48Å; I820-F830 VanDerWaalsContact CD1-CE1 3.48Å; I820-F830 HydrophobicContact CD1-CG 4.13Å; I820-F830 HydrophobicContact CD1-CZ 4.48Å; I820-F830 HydrophobicContact CG1-CD1 4.07Å; I820-F830 HydrophobicContact CG1-CE1 3.88Å; I820-F830 HydrophobicContact CG1-CZ 4.48Å; T826-F830 WeakPolarHBondContact O-CB 3.38Å; T826-F830 PolarHBondContact O-N 3.45Å; T826-F830 VanDerWaalsContact O-N 3.07Å; R827-F830 PolarHBondContact O-N 2.93Å; L828-F830 VanDerWaalsContact C-N 3.28Å; L828-F830 PolarHBondContact O-N 3.28Å; F830-N833 WeakPolarHBondContact O-CB 3.35Å; F830-N833 PolarHBondContact O-N 2.99Å; F830-I834 HydrophobicContact CD1-CD1 3.51Å; F830-I834 HydrophobicContact CD1-CG1 4.49Å; F830-I834 HydrophobicContact CE1-CD1 3.47Å; F830-I834 VanDerWaalsContact CE1-CD1 3.47Å; F830-I834 PolarHBondContact O-N 3.06Å
831L86.2Confident83.3Confident3 Ų363.9 Ų63.92%0.01632%0.323CS..Hα-helixtrans-66-43.2176.7-173.657.2000111.9L817 R827 L828 N833 I834 I835 L850 F853 L854 I857L817-L831 HydrophobicContact CD1-CD1 3.96Å; L817-L831 HydrophobicContact CD2-CD1 3.93Å; R827-L831 WeakPolarHBondContact O-CB 3.36Å; R827-L831 PolarHBondContact O-N 3.32Å; L828-L831 PolarHBondContact O-N 3.19Å; L831-N833 VanDerWaalsContact C-N 3.31Å; L831-N833 PolarHBondContact O-N 2.91Å; L831-I834 WeakPolarHBondContact O-CB 2.95Å; L831-I834 PolarHBondContact O-N 2.67Å; L831-I835 HydrophobicContact CG-CD1 4.37Å; L831-I835 WeakPolarHBondContact O-CG1 3.47Å; L831-I835 PolarHBondContact O-N 3.37Å; L831-L850 HydrophobicContact CD1-CB 4.41Å; L831-L850 HydrophobicContact CD1-CD2 3.69Å; L831-F853 HydrophobicContact CD1-CD1 4.32Å; L831-F853 HydrophobicContact CD2-CD1 4.04Å; L831-L854 HydrophobicContact CD2-CB 3.63Å; L831-L854 HydrophobicContact CD2-CD1 4.13Å; L831-L854 HydrophobicContact CD2-CG 3.95Å; L831-L854 HydrophobicContact CG-CB 4.49Å; L831-L854 HydrophobicContact CG-CD1 4.31Å; L831-I857 HydrophobicContact CD2-CD1 4.28Å
832Q85.4Confident83.8Confident92 Ų9268.2 Ų68.243%0.4334%0.34SS..Hα-helixtrans-59.5-38.5172.3-72.61794.100112.7L828 I834 I835 K836 L854L828-Q832 WeakPolarHBondContact O-CG 3.43Å; L828-Q832 PolarHBondContact O-N 2.79Å; Q832-I834 VanDerWaalsContact C-N 3.31Å; Q832-I834 PolarHBondContact O-N 3.24Å; Q832-I835 PolarHBondContact O-N 3.05Å; Q832-K836 WeakPolarHBondContact O-CG 3.48Å; Q832-K836 PolarHBondContact O-N 3.42Å; Q832-L854 HydrophobicContact CG-CD1 4.22Å
833N88.3Confident84.1Confident54 Ų5467.9 Ų67.929%0.28933%0.326SS..Hα-helixtrans-65.3-34.3174.3-86.3-76.5000112.3R796 I829 F830 L831 E837R796-N833 PolarHBondContact NH2-OD1 3.2Å; I829-N833 PolarHBondContact O-N 3.41Å; I829-N833 PolarHBondContact O-ND2 3.19Å; F830-N833 WeakPolarHBondContact O-CB 3.35Å; F830-N833 PolarHBondContact O-N 2.99Å; L831-N833 VanDerWaalsContact C-N 3.31Å; L831-N833 PolarHBondContact O-N 2.91Å; N833-E837 PolarHBondContact O-N 2.95Å
834I88.3Confident84.3Confident5 Ų574 Ų743%0.02634%0.341CS..Hα-helixtrans-72.1-41.3175.6-77164.3000111.5I799 I803 L817 F830 L831 Q832 K836 E837 A838 L850I799-I834 HydrophobicContact CB-CD1 4.44Å; I799-I834 HydrophobicContact CD1-CD1 3.79Å; I799-I834 HydrophobicContact CG2-CD1 3.82Å; I799-I834 HydrophobicContact CG2-CG1 4.02Å; I799-I834 HydrophobicContact CG2-CG2 4.22Å; I803-I834 HydrophobicContact CD1-CG2 4Å; L817-I834 HydrophobicContact CD2-CD1 3.55Å; F830-I834 HydrophobicContact CD1-CD1 3.51Å; F830-I834 HydrophobicContact CD1-CG1 4.49Å; F830-I834 HydrophobicContact CE1-CD1 3.47Å; F830-I834 VanDerWaalsContact CE1-CD1 3.47Å; F830-I834 PolarHBondContact O-N 3.06Å; L831-I834 WeakPolarHBondContact O-CB 2.95Å; L831-I834 PolarHBondContact O-N 2.67Å; Q832-I834 VanDerWaalsContact C-N 3.31Å; Q832-I834 PolarHBondContact O-N 3.24Å; I834-K836 VanDerWaalsContact C-N 3.3Å; I834-K836 PolarHBondContact O-N 2.94Å; I834-E837 PolarHBondContact O-N 2.9Å; I834-A838 WeakPolarHBondContact O-CB 3.22Å; I834-A838 PolarHBondContact O-N 3.17Å; I834-L850 HydrophobicContact CG2-CD1 3.83Å; I834-L850 HydrophobicContact CG2-CD2 4.14Å
835I86.9Confident84.8Confident23 Ų2374 Ų7412%0.11834%0.343CS..Hα-helixtrans-57.9-43.8172.7-69.8165.4000110.4L831 Q832 A838 A839 I847 L850 E851 L854L831-I835 HydrophobicContact CG-CD1 4.37Å; L831-I835 WeakPolarHBondContact O-CG1 3.47Å; L831-I835 PolarHBondContact O-N 3.37Å; Q832-I835 PolarHBondContact O-N 3.05Å; I835-A838 PolarHBondContact O-N 3.32Å; I835-A839 WeakPolarHBondContact O-CB 3.29Å; I835-A839 PolarHBondContact O-N 2.74Å; I835-I847 HydrophobicContact CG2-CG2 4.21Å; I835-L850 HydrophobicContact CD1-CB 4.09Å; I835-L850 HydrophobicContact CG1-CB 3.64Å; I835-L850 HydrophobicContact CG1-CD1 3.99Å; I835-L850 HydrophobicContact CG1-CG 4.43Å; I835-E851 HydrophobicContact CD1-CG 4.11Å; I835-L854 HydrophobicContact CD1-CD1 4.08Å
836K88.9Confident85.2Confident140 Ų14069.4 Ų69.461%0.60932%0.319SS*.Hα-helixtrans-61.5-43.4176.7-73.3169.7-178.9175.90113.4Q832 I834 A839 R840Q832-K836 WeakPolarHBondContact O-CG 3.48Å; Q832-K836 PolarHBondContact O-N 3.42Å; I834-K836 VanDerWaalsContact C-N 3.3Å; I834-K836 PolarHBondContact O-N 2.94Å; K836-A839 PolarHBondContact O-N 3.15Å; K836-R840 PolarHBondContact O-N 2.87Å; K836-R840 VanDerWaalsContact O-N 3.11Å
837E88.4Confident85.5Confident34 Ų3468 Ų6816%0.15931%0.308CS..Hα-helixtrans-72.8-32.4175.6-171.978.6167.700111.5T800 R804 N833 I834 R840 F841T800-E837 HydrophobicContact CG2-CG 4.31Å; R804-E837 IonicContact CZ-OE1 3.05Å; R804-E837 IonicContact NE-OE1 3.88Å; R804-E837 IonicContact NH2-OE1 2.71Å; R804-E837 PolarHBondContact NH2-OE1 3.35Å; N833-E837 PolarHBondContact O-N 2.95Å; I834-E837 PolarHBondContact O-N 2.9Å; E837-R840 WeakPolarHBondContact O-CB 3.33Å; E837-R840 PolarHBondContact O-N 3.26Å; E837-R840 IonicContact OE1-NH1 2.78Å; E837-R840 PolarHBondContact OE1-NH1 3.27Å; E837-R840 WeakPolarHBondContact OE2-CD 3.48Å; E837-R840 IonicContact OE2-CZ 2.62Å; E837-R840 IonicContact OE2-NE 3.16Å; E837-R840 IonicContact OE2-NH1 3.27Å; E837-R840 PolarHBondContact OE2-NH1 3.07Å; E837-F841 HydrophobicContact CG-CD2 4.27Å; E837-F841 HydrophobicContact CG-CE2 3.97Å; E837-F841 VanDerWaalsContact O-CD2 3.23Å; E837-F841 WeakPolarHBondContact O-CD2 3.34Å; E837-F841 PolarHBondContact O-N 3.1Å; E837-F841 WeakPolarHBondContact OE1-CE2 3.48Å
838A86.3Confident85.9Confident0 Ų068.3 Ų68.30%032%0.315CS..Hα-helixtrans-65.6-38172.300000112.7I834 I835 F841 K842 K843 L846 I847 L850I834-A838 WeakPolarHBondContact O-CB 3.22Å; I834-A838 PolarHBondContact O-N 3.17Å; I835-A838 PolarHBondContact O-N 3.32Å; A838-F841 CarbonylContact O-C 3.51Å; A838-F841 PolarHBondContact O-N 2.93Å; A838-K842 PolarHBondContact O-N 3.29Å; A838-K843 PolarHBondContact O-N 3.43Å; A838-K843 VanDerWaalsContact O-N 3.09Å; A838-L846 HydrophobicContact CB-CD2 3.95Å; A838-L846 HydrophobicContact CB-CG 4.3Å; A838-I847 HydrophobicContact CB-CG1 4.02Å; A838-L850 HydrophobicContact CB-CD1 4.24Å
839A86.3Confident86.1Confident50 Ų5071 Ų7141%0.41333%0.326SS..Hα-helixtrans-62.8-41.417200000112.1I835 K836 F841 K842 I847I835-A839 WeakPolarHBondContact O-CB 3.29Å; I835-A839 PolarHBondContact O-N 2.74Å; K836-A839 PolarHBondContact O-N 3.15Å; A839-F841 VanDerWaalsContact C-N 3.26Å; A839-F841 PolarHBondContact O-N 3.23Å; A839-K842 WeakPolarHBondContact O-CA 3.33Å; A839-K842 PolarHBondContact O-N 3.09Å; A839-I847 HydrophobicContact CB-CD1 3.98Å
840R87.4Confident86.3Confident173 Ų17366.4 Ų66.465%0.65330%0.303SS*.Hα-helixtrans-56.6-37.6173.2-171-172-175.2178.24.6112.7K836 E837 K842K836-R840 PolarHBondContact O-N 2.87Å; K836-R840 VanDerWaalsContact O-N 3.11Å; E837-R840 WeakPolarHBondContact O-CB 3.33Å; E837-R840 PolarHBondContact O-N 3.26Å; E837-R840 IonicContact OE1-NH1 2.78Å; E837-R840 PolarHBondContact OE1-NH1 3.27Å; E837-R840 WeakPolarHBondContact OE2-CD 3.48Å; E837-R840 IonicContact OE2-CZ 2.62Å; E837-R840 IonicContact OE2-NE 3.16Å; E837-R840 IonicContact OE2-NH1 3.27Å; E837-R840 PolarHBondContact OE2-NH1 3.07Å; R840-K842 VanDerWaalsContact C-N 3.32Å
841F84.8Confident86.4Confident81 Ų8169.9 Ų69.936%0.35532%0.319SS..THydrogen-bonded Turntrans-88.710.8174.1-67.8-70.2000114.3I803 R804 E837 A838 A839 K843I803-F841 HydrophobicContact CG2-CB 4.46Å; I803-F841 HydrophobicContact CG2-CD2 3.79Å; I803-F841 HydrophobicContact CG2-CG 4.44Å; R804-F841 HydrophobicContact CG-CD2 4.33Å; R804-F841 HydrophobicContact CG-CE1 4.1Å; R804-F841 HydrophobicContact CG-CE2 3.64Å; R804-F841 HydrophobicContact CG-CZ 3.53Å; E837-F841 HydrophobicContact CG-CD2 4.27Å; E837-F841 HydrophobicContact CG-CE2 3.97Å; E837-F841 VanDerWaalsContact O-CD2 3.23Å; E837-F841 WeakPolarHBondContact O-CD2 3.34Å; E837-F841 PolarHBondContact O-N 3.1Å; E837-F841 WeakPolarHBondContact OE1-CE2 3.48Å; A838-F841 CarbonylContact O-C 3.51Å; A838-F841 PolarHBondContact O-N 2.93Å; A839-F841 VanDerWaalsContact C-N 3.26Å; A839-F841 PolarHBondContact O-N 3.23Å; F841-K843 HydrophobicContact CB-CG 3.99Å; F841-K843 PolarHBondContact O-N 2.91Å; F841-K843 VanDerWaalsContact O-N 3.11Å
842K84.6Confident86.4Confident180 Ų18074.2 Ų74.278%0.78334%0.343SS*.THydrogen-bonded Turntrans54.426.4177.9-59.1-179.2178.9178.50114.2A838 A839 R840 R844A838-K842 PolarHBondContact O-N 3.29Å; A839-K842 WeakPolarHBondContact O-CA 3.33Å; A839-K842 PolarHBondContact O-N 3.09Å; R840-K842 VanDerWaalsContact C-N 3.32Å; K842-R844 VanDerWaalsContact C-N 3.26Å; K842-R844 PolarHBondContact O-N 3.25Å
843K85.6Confident86.3Confident35 Ų3571.1 Ų71.115%0.15233%0.328CS..  trans-77.360.6-175.3-66.1-78.9-161.6168.80112.3I803 K805 G807 Y810 A838 F841 V845 L846 I847I803-K843 WeakPolarHBondContact O-CE 3.46Å; K805-K843 PolarHBondContact O-NZ 3.25Å; G807-K843 PolarHBondContact O-NZ 3.25Å; G807-K843 VanDerWaalsContact O-NZ 3.12Å; Y810-K843 HydrophobicContact CE1-CD 4.35Å; A838-K843 PolarHBondContact O-N 3.43Å; A838-K843 VanDerWaalsContact O-N 3.09Å; F841-K843 HydrophobicContact CB-CG 3.99Å; F841-K843 PolarHBondContact O-N 2.91Å; F841-K843 VanDerWaalsContact O-N 3.11Å; K843-V845 PolarHBondContact O-N 3.4Å; K843-V845 VanDerWaalsContact O-N 3.15Å; K843-L846 HydrophobicContact CB-CB 3.95Å; K843-L846 HydrophobicContact CB-CD2 4.25Å; K843-L846 WeakPolarHBondContact O-CA 3.46Å; K843-L846 WeakPolarHBondContact O-CB 3.45Å; K843-L846 PolarHBondContact O-N 2.87Å; K843-I847 PolarHBondContact O-N 3.46Å; K843-I847 VanDerWaalsContact O-N 3.17Å
844R83.6Confident86Confident210 Ų21070.6 Ų70.679%0.79233%0.325SS*.Hα-helixtrans-44.7-50.8-171.7-68.8-174.6177.8177.7-1.7115.1K842 L846 I847 E848K842-R844 VanDerWaalsContact C-N 3.26Å; K842-R844 PolarHBondContact O-N 3.25Å; R844-L846 VanDerWaalsContact C-N 3.27Å; R844-L846 PolarHBondContact O-N 3.48Å; R844-I847 WeakPolarHBondContact O-CB 3.46Å; R844-I847 PolarHBondContact O-N 3Å; R844-E848 PolarHBondContact O-N 3.15Å; R844-E848 VanDerWaalsContact O-N 3.13Å
845V84.6Confident85.6Confident66 Ų6676 Ų7640%0.435%0.35SS..Hα-helixtrans-62.7-30.4179.8-178.30000113.1Y810 K843 Q849Y810-V845 HydrophobicContact CE2-CB 4.36Å; Y810-V845 HydrophobicContact CE2-CG1 4.35Å; K843-V845 PolarHBondContact O-N 3.4Å; K843-V845 VanDerWaalsContact O-N 3.15Å; V845-Q849 VanDerWaalsContact O-CG 3.27Å; V845-Q849 WeakPolarHBondContact O-CG 3.31Å; V845-Q849 PolarHBondContact O-N 3.08Å
846L86.2Confident85.3Confident0 Ų078.6 Ų78.60%036%0.362CS..Hα-helixtrans-73.7-36.3174.3173.261.1000111.1I803 Y810 I813 F814 A838 K843 R844 Q849 L850I803-L846 HydrophobicContact CG1-CD2 4.07Å; Y810-L846 HydrophobicContact CD1-CB 4.24Å; Y810-L846 HydrophobicContact CD1-CD1 4.08Å; Y810-L846 HydrophobicContact CD1-CD2 4.13Å; Y810-L846 HydrophobicContact CD1-CG 4.38Å; Y810-L846 HydrophobicContact CD2-CB 4Å; Y810-L846 HydrophobicContact CD2-CD1 4.23Å; Y810-L846 HydrophobicContact CE1-CB 4.08Å; Y810-L846 HydrophobicContact CE1-CD2 4.22Å; Y810-L846 HydrophobicContact CE2-CB 3.83Å; Y810-L846 HydrophobicContact CG-CB 4.21Å; Y810-L846 HydrophobicContact CG-CD1 3.81Å; Y810-L846 HydrophobicContact CG-CG 4.43Å; I813-L846 HydrophobicContact CD1-CD1 4.08Å; I813-L846 HydrophobicContact CD1-CD2 3.85Å; F814-L846 HydrophobicContact CE2-CD1 4.15Å; F814-L846 HydrophobicContact CZ-CD1 4.26Å; A838-L846 HydrophobicContact CB-CD2 3.95Å; A838-L846 HydrophobicContact CB-CG 4.3Å; K843-L846 HydrophobicContact CB-CB 3.95Å; K843-L846 HydrophobicContact CB-CD2 4.25Å; K843-L846 WeakPolarHBondContact O-CA 3.46Å; K843-L846 WeakPolarHBondContact O-CB 3.45Å; K843-L846 PolarHBondContact O-N 2.87Å; R844-L846 VanDerWaalsContact C-N 3.27Å; R844-L846 PolarHBondContact O-N 3.48Å; L846-Q849 PolarHBondContact O-N 3.2Å; L846-L850 HydrophobicContact CD1-CD1 3.86Å; L846-L850 HydrophobicContact CD1-CD2 4.39Å; L846-L850 HydrophobicContact CD1-CG 3.89Å; L846-L850 HydrophobicContact CD2-CD1 4.42Å; L846-L850 HydrophobicContact CG-CD1 3.71Å; L846-L850 HydrophobicContact CG-CG 4.22Å; L846-L850 WeakPolarHBondContact O-CB 3.36Å; L846-L850 WeakPolarHBondContact O-CD1 3.3Å; L846-L850 WeakPolarHBondContact O-CG 3.38Å; L846-L850 PolarHBondContact O-N 2.94Å
847I87.1Confident84.8Confident26 Ų2673.7 Ų73.713%0.13334%0.342CS..Hα-helixtrans-63.1-51.7179.5-63.3164.9000109.5I835 A838 A839 K843 R844 Q849 L850 E851I835-I847 HydrophobicContact CG2-CG2 4.21Å; A838-I847 HydrophobicContact CB-CG1 4.02Å; A839-I847 HydrophobicContact CB-CD1 3.98Å; K843-I847 PolarHBondContact O-N 3.46Å; K843-I847 VanDerWaalsContact O-N 3.17Å; R844-I847 WeakPolarHBondContact O-CB 3.46Å; R844-I847 PolarHBondContact O-N 3Å; I847-Q849 VanDerWaalsContact C-N 3.31Å; I847-Q849 PolarHBondContact O-N 3.38Å; I847-L850 CarbonylContact O-C 3.58Å; I847-L850 WeakPolarHBondContact O-CA 3.46Å; I847-L850 WeakPolarHBondContact O-CB 3.34Å; I847-L850 PolarHBondContact O-N 2.81Å; I847-E851 VanDerWaalsContact CG2-CD 3.47Å; I847-E851 HydrophobicContact CG2-CG 4.34Å; I847-E851 VanDerWaalsContact CG2-OE1 3.27Å; I847-E851 WeakPolarHBondContact CG2-OE1 3.45Å; I847-E851 WeakPolarHBondContact O-CG 3.34Å; I847-E851 PolarHBondContact O-N 2.69Å
848E86.9Confident84.1Confident116 Ų11676.2 Ų76.254%0.54235%0.353SS..Hα-helixtrans-54.6-42174.8-176.2-179.1-176.700112.6R844 N852R844-E848 PolarHBondContact O-N 3.15Å; R844-E848 VanDerWaalsContact O-N 3.13Å; E848-N852 WeakPolarHBondContact O-CB 3.37Å; E848-N852 PolarHBondContact O-N 2.95Å; E848-N852 VanDerWaalsContact O-N 3.11Å; E848-N852 PolarHBondContact O-ND2 2.81Å
849Q85.4Confident83.5Confident86 Ų8680.7 Ų80.740%0.40238%0.377SS..Hα-helixtrans-70.6-30.9175.3-71.9177.8-12.500113.6F814 V845 L846 I847 F853F814-Q849 HydrophobicContact CE2-CB 4.14Å; F814-Q849 HydrophobicContact CZ-CB 3.65Å; V845-Q849 VanDerWaalsContact O-CG 3.27Å; V845-Q849 WeakPolarHBondContact O-CG 3.31Å; V845-Q849 PolarHBondContact O-N 3.08Å; L846-Q849 PolarHBondContact O-N 3.2Å; I847-Q849 VanDerWaalsContact C-N 3.31Å; I847-Q849 PolarHBondContact O-N 3.38Å; Q849-F853 VanDerWaalsContact O-CB 3.3Å; Q849-F853 WeakPolarHBondContact O-CB 3.47Å; Q849-F853 PolarHBondContact O-N 3Å
850L87.4Confident82.8Confident0 Ų085.8 Ų85.80%039%0.386CS..Hα-helixtrans-77.5-32.3176.3-70.5165.4000112.3F814 L817 L831 I834 I835 A838 L846 I847 F853 L854F814-L850 HydrophobicContact CE1-CD2 3.84Å; F814-L850 HydrophobicContact CE1-CG 4.44Å; F814-L850 HydrophobicContact CZ-CD2 3.93Å; F814-L850 HydrophobicContact CZ-CG 4.16Å; L817-L850 HydrophobicContact CD1-CD2 3.52Å; L831-L850 HydrophobicContact CD1-CB 4.41Å; L831-L850 HydrophobicContact CD1-CD2 3.69Å; I834-L850 HydrophobicContact CG2-CD1 3.83Å; I834-L850 HydrophobicContact CG2-CD2 4.14Å; I835-L850 HydrophobicContact CD1-CB 4.09Å; I835-L850 HydrophobicContact CG1-CB 3.64Å; I835-L850 HydrophobicContact CG1-CD1 3.99Å; I835-L850 HydrophobicContact CG1-CG 4.43Å; A838-L850 HydrophobicContact CB-CD1 4.24Å; L846-L850 HydrophobicContact CD1-CD1 3.86Å; L846-L850 HydrophobicContact CD1-CD2 4.39Å; L846-L850 HydrophobicContact CD1-CG 3.89Å; L846-L850 HydrophobicContact CD2-CD1 4.42Å; L846-L850 HydrophobicContact CG-CD1 3.71Å; L846-L850 HydrophobicContact CG-CG 4.22Å; L846-L850 WeakPolarHBondContact O-CB 3.36Å; L846-L850 WeakPolarHBondContact O-CD1 3.3Å; L846-L850 WeakPolarHBondContact O-CG 3.38Å; L846-L850 PolarHBondContact O-N 2.94Å; I847-L850 CarbonylContact O-C 3.58Å; I847-L850 WeakPolarHBondContact O-CA 3.46Å; I847-L850 WeakPolarHBondContact O-CB 3.34Å; I847-L850 PolarHBondContact O-N 2.81Å; L850-F853 PolarHBondContact O-N 3.41Å; L850-L854 WeakPolarHBondContact O-CB 3.38Å; L850-L854 PolarHBondContact O-N 3.39Å
851E85.5Confident81.6Confident93 Ų9378.5 Ų78.544%0.43536%0.361SS..Hα-helixtrans-70.3-48.7176.3-73.1165.5164.700110.3I835 I847 F853 L854 E855I835-E851 HydrophobicContact CD1-CG 4.11Å; I847-E851 VanDerWaalsContact CG2-CD 3.47Å; I847-E851 HydrophobicContact CG2-CG 4.34Å; I847-E851 VanDerWaalsContact CG2-OE1 3.27Å; I847-E851 WeakPolarHBondContact CG2-OE1 3.45Å; I847-E851 WeakPolarHBondContact O-CG 3.34Å; I847-E851 PolarHBondContact O-N 2.69Å; E851-F853 PolarHBondContact O-N 3Å; E851-L854 WeakPolarHBondContact O-CA 3.28Å; E851-L854 WeakPolarHBondContact O-CB 3.4Å; E851-L854 PolarHBondContact O-N 3.5Å; E851-E855 PolarHBondContact O-N 3.38Å
852N86Confident80.6Confident95 Ų9578 Ų7851%0.50836%0.363SS..Hα-helixtrans-56.2-37.8170.6-73.5-49.3000112.6E848 E856E848-N852 WeakPolarHBondContact O-CB 3.37Å; E848-N852 PolarHBondContact O-N 2.95Å; E848-N852 VanDerWaalsContact O-N 3.11Å; E848-N852 PolarHBondContact O-ND2 2.81Å; N852-E856 PolarHBondContact O-N 3.23Å
853F84Confident79.3Confident27 Ų2774 Ų7412%0.11835%0.353CS..Hα-helixtrans-72.8-26.9176.2-175.8-113.1000113.3F814 L817 K818 L831 Q849 L850 E851 I857F814-F853 HydrophobicContact CD1-CB 4.46Å; F814-F853 HydrophobicContact CD1-CD1 4.15Å; F814-F853 HydrophobicContact CD1-CD2 4.38Å; F814-F853 HydrophobicContact CD1-CE1 4.49Å; F814-F853 HydrophobicContact CD1-CG 4.08Å; F814-F853 HydrophobicContact CE1-CB 3.92Å; F814-F853 HydrophobicContact CE1-CD1 4.18Å; F814-F853 HydrophobicContact CE1-CG 4.02Å; L817-F853 HydrophobicContact CB-CE1 3.98Å; L817-F853 HydrophobicContact CD1-CD1 4.15Å; L817-F853 HydrophobicContact CD1-CE1 4.01Å; K818-F853 HydrophobicContact CG-CZ 4.37Å; L831-F853 HydrophobicContact CD1-CD1 4.32Å; L831-F853 HydrophobicContact CD2-CD1 4.04Å; Q849-F853 VanDerWaalsContact O-CB 3.3Å; Q849-F853 WeakPolarHBondContact O-CB 3.47Å; Q849-F853 PolarHBondContact O-N 3Å; L850-F853 PolarHBondContact O-N 3.41Å; E851-F853 PolarHBondContact O-N 3Å; F853-I857 HydrophobicContact CD1-CD1 4.02Å; F853-I857 HydrophobicContact CE1-CD1 3.61Å; F853-I857 HydrophobicContact CE2-CD1 4.48Å; F853-I857 HydrophobicContact CZ-CD1 3.87Å; F853-I857 HydrophobicContact CZ-CG1 4.46Å; F853-I857 WeakPolarHBondContact O-CG1 3.35Å; F853-I857 PolarHBondContact O-N 2.88Å; F853-I857 VanDerWaalsContact O-N 3.14Å
854L82.3Confident77.8Confident42 Ų4278.8 Ų78.822%0.2238%0.378CS..Hα-helixtrans-69.5-44.7172.7-168154.5000110.4L828 L831 Q832 I835 L850 E851 I857 H858L828-L854 HydrophobicContact CD2-CD2 4.19Å; L828-L854 HydrophobicContact CD2-CG 4.03Å; L831-L854 HydrophobicContact CD2-CB 3.63Å; L831-L854 HydrophobicContact CD2-CD1 4.13Å; L831-L854 HydrophobicContact CD2-CG 3.95Å; L831-L854 HydrophobicContact CG-CB 4.49Å; L831-L854 HydrophobicContact CG-CD1 4.31Å; Q832-L854 HydrophobicContact CG-CD1 4.22Å; I835-L854 HydrophobicContact CD1-CD1 4.08Å; L850-L854 WeakPolarHBondContact O-CB 3.38Å; L850-L854 PolarHBondContact O-N 3.39Å; E851-L854 WeakPolarHBondContact O-CA 3.28Å; E851-L854 WeakPolarHBondContact O-CB 3.4Å; E851-L854 PolarHBondContact O-N 3.5Å; L854-I857 PolarHBondContact O-N 3.3Å; L854-H858 PolarHBondContact O-N 3.38Å
855E79.9Confident76Confident118 Ų11874.2 Ų74.255%0.55137%0.369SS*.Hα-helixtrans-62.9-41.3173.3-67.1-173.7-177.900112E851 I857 H858 N859E851-E855 PolarHBondContact O-N 3.38Å; E855-I857 VanDerWaalsContact C-N 3.33Å; E855-I857 PolarHBondContact O-N 3.17Å; E855-H858 PolarHBondContact O-N 3.13Å; E855-N859 WeakPolarHBondContact O-CB 3.26Å; E855-N859 PolarHBondContact O-N 3.27Å; E855-N859 PolarHBondContact O-ND2 3.18Å
856E80.6Confident74.1Confident79 Ų7978.7 Ų78.737%0.36939%0.385SS..Hα-helixtrans-59.2-43175.6-160.5-160.5163.900111.8N852 R860N852-E856 PolarHBondContact O-N 3.23Å; E856-R860 WeakPolarHBondContact O-CB 3.32Å; E856-R860 WeakPolarHBondContact O-CD 3.3Å; E856-R860 WeakPolarHBondContact O-CG 3.41Å; E856-R860 PolarHBondContact O-N 3.3Å; E856-R860 IonicContact OE1-CZ 2.71Å; E856-R860 IonicContact OE1-NE 3.42Å; E856-R860 PolarHBondContact OE1-NE 2.99Å; E856-R860 IonicContact OE1-NH2 2.69Å; E856-R860 PolarHBondContact OE1-NH2 2.9Å
857I77.3Confident72.2Confident37 Ų3783.4 Ų83.419%0.1941%0.414CS..Hα-helixtrans-64.1-45.9175.9-73.1169.9000110.9L824 L828 L831 F853 L854 E855 R860 S861L824-I857 HydrophobicContact CD1-CG2 3.92Å; L828-I857 HydrophobicContact CD2-CG2 4.42Å; L831-I857 HydrophobicContact CD2-CD1 4.28Å; F853-I857 HydrophobicContact CD1-CD1 4.02Å; F853-I857 HydrophobicContact CE1-CD1 3.61Å; F853-I857 HydrophobicContact CE2-CD1 4.48Å; F853-I857 HydrophobicContact CZ-CD1 3.87Å; F853-I857 HydrophobicContact CZ-CG1 4.46Å; F853-I857 WeakPolarHBondContact O-CG1 3.35Å; F853-I857 PolarHBondContact O-N 2.88Å; F853-I857 VanDerWaalsContact O-N 3.14Å; L854-I857 PolarHBondContact O-N 3.3Å; E855-I857 VanDerWaalsContact C-N 3.33Å; E855-I857 PolarHBondContact O-N 3.17Å; I857-R860 PolarHBondContact O-N 2.99Å; I857-S861 PolarHBondContact O-N 3.17Å; I857-S861 VanDerWaalsContact O-N 3.1Å; I857-S861 PolarHBondContact O-OG 3.08Å; I857-S861 VanDerWaalsContact O-OG 3.07Å
858H73.7Confident69.9Low87 Ų8789.1 Ų89.140%0.40344%0.444SS..Hα-helixtrans-63.3-45.3-178.6-171.769.9000112.1L854 E855 S861 N862L854-H858 PolarHBondContact O-N 3.38Å; E855-H858 PolarHBondContact O-N 3.13Å; H858-S861 WeakPolarHBondContact CA-OG 3.11Å; H858-S861 PolarHBondContact O-N 3.47Å; H858-S861 PolarHBondContact O-OG 3.16Å; H858-N862 PolarHBondContact CD2-ND2 2.91Å; H858-N862 PolarHBondContact NE2-ND2 3.2Å; H858-N862 VanDerWaalsContact NE2-ND2 3.15Å; H858-N862 PolarHBondContact O-N 3.4Å; H858-N862 VanDerWaalsContact O-N 3.08Å; H858-N862 PolarHBondContact O-ND2 3.37Å
859N75.1Confident67.7Low93 Ų9391.7 Ų91.750%0.49746%0.459SS..Hα-helixtrans-64.8-43.2177.6-71.2-29.7000111.9E855 S861 N862 T863E855-N859 WeakPolarHBondContact O-CB 3.26Å; E855-N859 PolarHBondContact O-N 3.27Å; E855-N859 PolarHBondContact O-ND2 3.18Å; N859-S861 VanDerWaalsContact C-N 3.33Å; N859-S861 PolarHBondContact O-N 3.42Å; N859-N862 PolarHBondContact O-N 2.88Å; N859-T863 PolarHBondContact O-N 3.29Å; N859-T863 PolarHBondContact O-OG1 3.37Å
860R70.1Confident65.2Low157 Ų15798.5 Ų98.559%0.59250%0.497SS*.Hα-helixtrans-58.2-40.9174.7-77169.5176.9-97.55.1112.3E856 I857 T863 M864E856-R860 WeakPolarHBondContact O-CB 3.32Å; E856-R860 WeakPolarHBondContact O-CD 3.3Å; E856-R860 WeakPolarHBondContact O-CG 3.41Å; E856-R860 PolarHBondContact O-N 3.3Å; E856-R860 IonicContact OE1-CZ 2.71Å; E856-R860 IonicContact OE1-NE 3.42Å; E856-R860 PolarHBondContact OE1-NE 2.99Å; E856-R860 IonicContact OE1-NH2 2.69Å; E856-R860 PolarHBondContact OE1-NH2 2.9Å; I857-R860 PolarHBondContact O-N 2.99Å; R860-T863 WeakPolarHBondContact CA-OG1 3.38Å; R860-T863 PolarHBondContact O-OG1 2.91Å; R860-M864 PolarHBondContact O-N 3.27Å
861S63.3Low64.1Low21 Ų21103.5 Ų103.515%0.14752%0.522CS..Hα-helixtrans-66.5-43.6175.538.30000112.9I857 H858 N859 T863 M864 N865I857-S861 PolarHBondContact O-N 3.17Å; I857-S861 VanDerWaalsContact O-N 3.1Å; I857-S861 PolarHBondContact O-OG 3.08Å; I857-S861 VanDerWaalsContact O-OG 3.07Å; H858-S861 WeakPolarHBondContact CA-OG 3.11Å; H858-S861 PolarHBondContact O-N 3.47Å; H858-S861 PolarHBondContact O-OG 3.16Å; N859-S861 VanDerWaalsContact C-N 3.33Å; N859-S861 PolarHBondContact O-N 3.42Å; S861-T863 PolarHBondContact O-N 3.01Å; S861-M864 PolarHBondContact O-N 3.27Å; S861-M864 VanDerWaalsContact O-N 3.08Å; S861-N865 PolarHBondContact O-N 3.23Å
862N62.7Low63Low71 Ų71104 Ų10438%0.3853%0.526SS..Hα-helixtrans-62.6-32.5179.2-67.1-17000111.8H858 N859H858-N862 PolarHBondContact CD2-ND2 2.91Å; H858-N862 PolarHBondContact NE2-ND2 3.2Å; H858-N862 VanDerWaalsContact NE2-ND2 3.15Å; H858-N862 PolarHBondContact O-N 3.4Å; H858-N862 VanDerWaalsContact O-N 3.08Å; H858-N862 PolarHBondContact O-ND2 3.37Å; N859-N862 PolarHBondContact O-N 2.88Å
863T58.3Low61.7Low96 Ų96104.5 Ų104.559%0.58953%0.527SS*.Hα-helixtrans-72.3-23.3174.349.30000115.1N859 R860 S861N859-T863 PolarHBondContact O-N 3.29Å; N859-T863 PolarHBondContact O-OG1 3.37Å; R860-T863 WeakPolarHBondContact CA-OG1 3.38Å; R860-T863 PolarHBondContact O-OG1 2.91Å; S861-T863 PolarHBondContact O-N 3.01Å
864M53.6Low60.4Low134 Ų134109.1 Ų109.166%0.6655%0.551SS**Hα-helixtrans-81.4-35177.3-67.5-161.973.800112.4R860 S861 H866 V867R860-M864 PolarHBondContact O-N 3.27Å; S861-M864 PolarHBondContact O-N 3.27Å; S861-M864 VanDerWaalsContact O-N 3.08Å; M864-H866 PolarHBondContact O-N 3.42Å; M864-V867 PolarHBondContact O-N 3.2Å
865N46.4Very low59.1Low115 Ų115113.3 Ų113.362%0.61557%0.572SS**THydrogen-bonded Turntrans-61-14.6177.9-66.3-11.6000114.1S861S861-N865 PolarHBondContact O-N 3.23Å
866H44.9Very low57.7Low160 Ų160112.9 Ų112.974%0.74157%0.573SS**THydrogen-bonded Turntrans-91.1-4176.2-103.8-59.6000114.6M864M864-H866 PolarHBondContact O-N 3.42Å
867V45.1Very low56Low98 Ų98115.4 Ų115.459%0.59459%0.588SS**THydrogen-bonded Turntrans-98.7-32.3-178.4-176.10000112M864 M869M864-V867 PolarHBondContact O-N 3.2Å; V867-M869 PolarHBondContact O-N 2.94Å
868D39.6Very low54.4Low146 Ų146121.4 Ų121.478%0.78162%0.618SS**THydrogen-bonded Turntrans-78.527.9176.9-64.1-34.8000113.4
869M40.9Very low52.8Low171 Ų171124.3 Ų124.384%0.84264%0.636SS**THydrogen-bonded Turntrans-134.426.8177.4-106.1-161.9-173.200113.3V867V867-M869 PolarHBondContact O-N 2.94Å
870L33.8Very low50.8Low229 Ų229127.1 Ų127.1100%1.19965%0.649SS**  trans-135.80168.2-79.4173.2000110.5

Retrieved 870 of 870 residues in 153.7 ms (Link to these results)

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