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Switch-associated protein 70

Phosphatidylinositol 3,4,5-trisphosphate-dependent guanine nucleotide exchange factor (GEF) which, independently of RAS, transduces signals from tyrosine kinase receptors to RAC. It also mediates signaling of membrane ruffling. Regulates the actin cytoskeleton as an effector or adapter protein in response to agonist stimulated phosphatidylinositol (3,4)-bisphosphate production and cell protrusion.

AlphaFold DB , UniProt , Accession A0A096N838, Species PAPAN (Papio anubis, Olive baboon), Gene SWAP70, Length 585 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
1M31.6Very low74.6Confident210 Ų21054.1 Ų54.1100%1.03430%0.299SS*.  0-49.20-86.8178.517500113.2S3 L4M1-S3 PolarHBondContact O-N 3.23Å; M1-L4 PolarHBondContact O-N 3.19Å
2G48.6Very low75.8Confident41 Ų4149.6 Ų49.642%0.42327%0.274SS..Hα-helixtrans-42.4-66178.100000114.2L4 K5 D6G2-L4 PolarHBondContact O-N 2.86Å; G2-K5 WeakPolarHBondContact O-CA 3.37Å; G2-K5 WeakPolarHBondContact O-CB 3.26Å; G2-K5 PolarHBondContact O-N 2.84Å; G2-D6 VanDerWaalsContact O-CG 3.26Å; G2-D6 PolarHBondContact O-N 3.29Å; G2-D6 VanDerWaalsContact O-OD2 3.05Å
3S65.7Low76.7Confident65 Ų6548.8 Ų48.846%0.45526%0.264SS..Hα-helixtrans-41.3-42.4-179-157.70000115M1 D6 E7M1-S3 PolarHBondContact O-N 3.23Å; S3-D6 PolarHBondContact N-OD2 3.02Å; S3-D6 PolarHBondContact O-N 3.38Å; S3-E7 VanDerWaalsContact O-CB 3.27Å; S3-E7 WeakPolarHBondContact O-CB 3.19Å; S3-E7 VanDerWaalsContact O-CD 3.29Å; S3-E7 WeakPolarHBondContact O-CG 3.15Å; S3-E7 PolarHBondContact O-N 3.39Å; S3-E7 PolarHBondContact OG-OE1 3.47Å
4L76.7Confident77.5Confident38 Ų3846.8 Ų46.820%0.19925%0.252CS..Hα-helixtrans-69.6-39.9180-173.766.4000112.3M1 G2 D6 L8 V81 F85M1-L4 PolarHBondContact O-N 3.19Å; G2-L4 PolarHBondContact O-N 2.86Å; L4-D6 VanDerWaalsContact C-N 3.35Å; L4-L8 HydrophobicContact CG-CD1 4.26Å; L4-L8 WeakPolarHBondContact O-CB 3.42Å; L4-L8 WeakPolarHBondContact O-CD1 3.4Å; L4-L8 WeakPolarHBondContact O-CG 3.44Å; L4-L8 PolarHBondContact O-N 3.3Å; L4-L8 VanDerWaalsContact O-N 3.13Å; L4-V81 HydrophobicContact CD2-CG1 4.38Å; L4-F85 HydrophobicContact CD1-CZ 4.33Å
5K80.3Confident78.1Confident55 Ų5543.7 Ų43.724%0.23924%0.235CC..Hα-helixtrans-63.5-45.5172.5-63.8-170.4179.8-178.60110.2G2 E7 L8 L9 L78 E79G2-K5 WeakPolarHBondContact O-CA 3.37Å; G2-K5 WeakPolarHBondContact O-CB 3.26Å; G2-K5 PolarHBondContact O-N 2.84Å; K5-E7 PolarHBondContact O-N 2.75Å; K5-L8 PolarHBondContact O-N 2.8Å; K5-L9 VanDerWaalsContact O-CB 3.28Å; K5-L9 WeakPolarHBondContact O-CB 3.45Å; K5-L9 PolarHBondContact O-N 3.42Å; K5-L78 HydrophobicContact CD-CB 4.33Å; K5-L78 WeakPolarHBondContact CE-O 3.32Å; K5-L78 HydrophobicContact CG-CB 4.24Å; K5-E79 IonicContact NZ-OE1 2.8Å; K5-E79 PolarHBondContact NZ-OE1 2.68Å
6D80Confident78.5Confident74 Ų7441.4 Ų41.440%0.39622%0.223SC..Hα-helixtrans-63.7-42.4-177.1-52.7-37.8000111.2G2 S3 L4 L9 K10G2-D6 VanDerWaalsContact O-CG 3.26Å; G2-D6 PolarHBondContact O-N 3.29Å; G2-D6 VanDerWaalsContact O-OD2 3.05Å; S3-D6 PolarHBondContact N-OD2 3.02Å; S3-D6 PolarHBondContact O-N 3.38Å; L4-D6 VanDerWaalsContact C-N 3.35Å; D6-L9 PolarHBondContact O-N 2.84Å; D6-K10 WeakPolarHBondContact O-CG 3.39Å
7E82.8Confident78.8Confident76 Ų7641.5 Ų41.536%0.35523%0.225SC..Hα-helixtrans-61.2-46.5173.4-76.2159.4-136.600112.5S3 K5S3-E7 VanDerWaalsContact O-CB 3.27Å; S3-E7 WeakPolarHBondContact O-CB 3.19Å; S3-E7 VanDerWaalsContact O-CD 3.29Å; S3-E7 WeakPolarHBondContact O-CG 3.15Å; S3-E7 PolarHBondContact O-N 3.39Å; S3-E7 PolarHBondContact OG-OE1 3.47Å; K5-E7 PolarHBondContact O-N 2.75Å
8L87.5Confident79.1Confident8 Ų839.4 Ų39.44%0.04221%0.214CC..Hα-helixtrans-67.5-38179.2-66.7172.1000112L4 K5 K10 A11 I12 L43 L78 V81 F85 F90L4-L8 HydrophobicContact CG-CD1 4.26Å; L4-L8 WeakPolarHBondContact O-CB 3.42Å; L4-L8 WeakPolarHBondContact O-CD1 3.4Å; L4-L8 WeakPolarHBondContact O-CG 3.44Å; L4-L8 PolarHBondContact O-N 3.3Å; L4-L8 VanDerWaalsContact O-N 3.13Å; K5-L8 PolarHBondContact O-N 2.8Å; L8-K10 PolarHBondContact O-N 3.27Å; L8-A11 PolarHBondContact O-N 2.85Å; L8-I12 HydrophobicContact CB-CD1 4.46Å; L8-I12 WeakPolarHBondContact O-CD1 3.36Å; L8-I12 WeakPolarHBondContact O-CG1 2.7Å; L8-I12 PolarHBondContact O-N 3.05Å; L8-L43 HydrophobicContact CD1-CD2 4.11Å; L8-L43 HydrophobicContact CD2-CD2 4.15Å; L8-L78 HydrophobicContact CB-CD2 4.05Å; L8-L78 HydrophobicContact CD1-CD2 4.08Å; L8-V81 HydrophobicContact CD1-CG1 4.07Å; L8-V81 HydrophobicContact CD1-CG2 4.47Å; L8-F85 HydrophobicContact CD1-CZ 4.06Å; L8-F85 HydrophobicContact CD2-CE2 3.84Å; L8-F85 HydrophobicContact CD2-CZ 3.79Å; L8-F85 HydrophobicContact CG-CZ 4.44Å; L8-F90 HydrophobicContact CB-CE1 4.29Å; L8-F90 HydrophobicContact CB-CZ 3.91Å; L8-F90 HydrophobicContact CD2-CD1 3.56Å; L8-F90 HydrophobicContact CD2-CD2 4.17Å; L8-F90 HydrophobicContact CD2-CE1 3.25Å; L8-F90 HydrophobicContact CD2-CE2 3.88Å; L8-F90 HydrophobicContact CD2-CG 4.01Å; L8-F90 HydrophobicContact CD2-CZ 3.42Å; L8-F90 VanDerWaalsContact CD2-CZ 3.42Å; L8-F90 HydrophobicContact CG-CE1 4.36Å; L8-F90 HydrophobicContact CG-CZ 4.25Å
9L88.1Confident79.2Confident23 Ų2338.7 Ų38.712%0.1221%0.21CC..Hα-helixtrans-59.1-34-177.6-169.665.9000112.1K5 D6 I12 W13 M70 L73 L78K5-L9 VanDerWaalsContact O-CB 3.28Å; K5-L9 WeakPolarHBondContact O-CB 3.45Å; K5-L9 PolarHBondContact O-N 3.42Å; D6-L9 PolarHBondContact O-N 2.84Å; L9-I12 PolarHBondContact O-N 3.25Å; L9-W13 HydrophobicContact CD2-CH2 3.82Å; L9-W13 HydrophobicContact CD2-CZ2 3.41Å; L9-W13 VanDerWaalsContact CD2-CZ2 3.41Å; L9-W13 HydrophobicContact CG-CD2 4.13Å; L9-W13 HydrophobicContact CG-CH2 4.26Å; L9-W13 HydrophobicContact CG-CZ2 3.76Å; L9-W13 PolarHBondContact O-N 2.81Å; L9-M70 HydrophobicContact CD1-SD 3.92Å; L9-L73 HydrophobicContact CD1-CD2 3.9Å; L9-L78 HydrophobicContact CD1-CD1 4.16Å
10K89.8Confident79.2Confident5 Ų537.5 Ų37.52%0.02220%0.203CC..Hα-helixtrans-63.9-48.6179.1-61.3-171.4-177.5-159.40113.5D6 L8 I12 W13 H14 N123 S126 E127 D128 L132D6-K10 WeakPolarHBondContact O-CG 3.39Å; L8-K10 PolarHBondContact O-N 3.27Å; K10-I12 VanDerWaalsContact C-N 3.25Å; K10-I12 PolarHBondContact O-N 2.82Å; K10-W13 PolarHBondContact O-N 2.99Å; K10-H14 PolarHBondContact O-N 3.13Å; K10-N123 WeakPolarHBondContact CD-O 3.41Å; K10-S126 PolarHBondContact NZ-O 3.37Å; K10-S126 PolarHBondContact NZ-OG 3.32Å; K10-E127 WeakPolarHBondContact CE-O 3.42Å; K10-E127 PolarHBondContact NZ-O 3.27Å; K10-D128 WeakPolarHBondContact CE-OD1 3.42Å; K10-D128 IonicContact NZ-OD1 3.58Å; K10-D128 PolarHBondContact NZ-OD1 2.9Å; K10-L132 HydrophobicContact CB-CD1 3.73Å; K10-L132 HydrophobicContact CB-CD2 4.38Å; K10-L132 HydrophobicContact CD-CD2 4.01Å; K10-L132 HydrophobicContact CG-CD1 4.17Å; K10-L132 HydrophobicContact CG-CD2 3.9Å
11A89.8Confident78.8Confident0 Ų041.6 Ų41.60%022%0.221CC..Hα-helixtrans-62.3-37.8176.500000111L8 H14 A15 F90 C94 W119L8-A11 PolarHBondContact O-N 2.85Å; A11-H14 PolarHBondContact O-N 3.26Å; A11-A15 PolarHBondContact O-N 3.22Å; A11-A15 VanDerWaalsContact O-N 3.14Å; A11-F90 HydrophobicContact CB-CE1 3.6Å; A11-F90 HydrophobicContact CB-CZ 4.02Å; A11-C94 HydrophobicContact CB-CB 3.98Å; A11-W119 HydrophobicContact CB-CH2 3.85Å
12I88.4Confident80.5Confident0 Ų038.3 Ų38.30%021%0.208CC..Hα-helixtrans-71.4-34.9178-60.9159.8000111.8L8 L9 K10 A15 F16 L39 L73 L78 F90L8-I12 HydrophobicContact CB-CD1 4.46Å; L8-I12 WeakPolarHBondContact O-CD1 3.36Å; L8-I12 WeakPolarHBondContact O-CG1 2.7Å; L8-I12 PolarHBondContact O-N 3.05Å; L9-I12 PolarHBondContact O-N 3.25Å; K10-I12 VanDerWaalsContact C-N 3.25Å; K10-I12 PolarHBondContact O-N 2.82Å; I12-A15 PolarHBondContact O-N 2.86Å; I12-F16 WeakPolarHBondContact O-CB 3.2Å; I12-F16 PolarHBondContact O-N 2.97Å; I12-L39 HydrophobicContact CD1-CD1 4.35Å; I12-L39 HydrophobicContact CD1-CD2 4.07Å; I12-L39 HydrophobicContact CG1-CD1 4.31Å; I12-L39 HydrophobicContact CG1-CD2 3.87Å; I12-L39 HydrophobicContact CG2-CD1 4.28Å; I12-L73 HydrophobicContact CB-CD2 4.39Å; I12-L73 HydrophobicContact CD1-CD1 4.25Å; I12-L73 HydrophobicContact CD1-CD2 4.26Å; I12-L73 HydrophobicContact CG2-CD1 4.46Å; I12-L73 HydrophobicContact CG2-CD2 3.62Å; I12-L78 HydrophobicContact CD1-CD2 4.16Å; I12-F90 HydrophobicContact CD1-CE2 4.17Å; I12-F90 HydrophobicContact CD1-CZ 3.98Å; I12-F90 HydrophobicContact CG1-CE2 4.17Å; I12-F90 HydrophobicContact CG1-CZ 3.85Å
13W87.9Confident81.4Confident40 Ų4043.7 Ų43.715%0.15222%0.222CC..Hα-helixtrans-59.5-47.4172-77.7-27.4000111.5L9 K10 A15 F16 T17 M70 D128 Y130 L132L9-W13 HydrophobicContact CD2-CH2 3.82Å; L9-W13 HydrophobicContact CD2-CZ2 3.41Å; L9-W13 VanDerWaalsContact CD2-CZ2 3.41Å; L9-W13 HydrophobicContact CG-CD2 4.13Å; L9-W13 HydrophobicContact CG-CH2 4.26Å; L9-W13 HydrophobicContact CG-CZ2 3.76Å; L9-W13 PolarHBondContact O-N 2.81Å; K10-W13 PolarHBondContact O-N 2.99Å; W13-A15 VanDerWaalsContact C-N 3.31Å; W13-A15 PolarHBondContact O-N 2.94Å; W13-F16 PolarHBondContact O-N 2.94Å; W13-T17 WeakPolarHBondContact O-CB 3.45Å; W13-T17 PolarHBondContact O-N 3Å; W13-T17 PolarHBondContact O-OG1 2.7Å; W13-M70 VanDerWaalsContact CD1-CE 3.49Å; W13-D128 WeakPolarHBondContact CH2-O 3.32Å; W13-Y130 HydrophobicContact CB-CD2 3.83Å; W13-Y130 HydrophobicContact CB-CE2 4.07Å; W13-Y130 AromaticContact CD2-CD2 3.89Å; W13-Y130 HydrophobicContact CD2-CD2 3.89Å; W13-Y130 HydrophobicContact CD2-CG 4.35Å; W13-Y130 HydrophobicContact CE3-CD2 4.08Å; W13-Y130 AromaticContact CG-CD2 3.81Å; W13-Y130 HydrophobicContact CG-CD2 3.81Å; W13-Y130 HydrophobicContact CG-CE2 4.45Å; W13-L132 HydrophobicContact CE3-CD1 4.11Å; W13-L132 HydrophobicContact CE3-CD2 3.79Å; W13-L132 HydrophobicContact CE3-CG 3.89Å; W13-L132 HydrophobicContact CZ3-CD2 3.82Å; W13-L132 HydrophobicContact CZ3-CG 4.4Å
14H87.6Confident81.5Confident20 Ų2043.5 Ų43.59%0.09322%0.22CC..Hα-helixtrans-59.7-39.4174.3-78.7-59.8000113.1K10 A11 A18 W119 F122 N123K10-H14 PolarHBondContact O-N 3.13Å; A11-H14 PolarHBondContact O-N 3.26Å; H14-A18 WeakPolarHBondContact O-CB 3.31Å; H14-A18 PolarHBondContact O-N 2.84Å; H14-A18 VanDerWaalsContact O-N 3.12Å; H14-W119 HydrophobicContact CB-CZ2 3.75Å; H14-W119 AromaticContact CD2-CE2 3.81Å; H14-W119 AromaticContact CD2-CZ2 3.68Å; H14-W119 AromaticContact CD2-NE1 3.42Å; H14-W119 PolarHBondContact CD2-NE1 3.3Å; H14-W119 AromaticContact CG-CZ2 3.94Å; H14-W119 AromaticContact CG-NE1 3.71Å; H14-W119 AromaticContact NE2-NE1 3.69Å; H14-F122 AromaticContact NE2-CD1 3.93Å; H14-F122 AromaticContact NE2-CE1 3.54Å; H14-N123 PolarHBondContact CD2-OD1 2.67Å
15A86.6Confident81.1Confident0 Ų042.5 Ų42.50%022%0.22CC..Hα-helixtrans-66.7-41.5175.100000112.6A11 I12 W13 A18 L19 L35 C94 L97A11-A15 PolarHBondContact O-N 3.22Å; A11-A15 VanDerWaalsContact O-N 3.14Å; I12-A15 PolarHBondContact O-N 2.86Å; W13-A15 VanDerWaalsContact C-N 3.31Å; W13-A15 PolarHBondContact O-N 2.94Å; A15-A18 PolarHBondContact O-N 2.88Å; A15-L19 WeakPolarHBondContact O-CG 3.44Å; A15-L19 PolarHBondContact O-N 3.19Å; A15-L35 HydrophobicContact CB-CD1 4.32Å; A15-C94 HydrophobicContact CB-CB 4.42Å; A15-L97 HydrophobicContact CB-CB 4.48Å; A15-L97 HydrophobicContact CB-CD1 3.94Å
16F83.9Confident80.8Confident8 Ų844.9 Ų44.94%0.03523%0.23CC..Hα-helixtrans-66-48177.7-174-81.5000111.6I12 W13 A18 L19 D20 V27 L32 N66 Y69 M70I12-F16 WeakPolarHBondContact O-CB 3.2Å; I12-F16 PolarHBondContact O-N 2.97Å; W13-F16 PolarHBondContact O-N 2.94Å; F16-A18 PolarHBondContact O-N 2.92Å; F16-L19 WeakPolarHBondContact O-CA 3.2Å; F16-L19 WeakPolarHBondContact O-CB 3.33Å; F16-L19 PolarHBondContact O-N 2.93Å; F16-D20 PolarHBondContact O-N 3.35Å; F16-D20 VanDerWaalsContact O-N 3.08Å; F16-V27 HydrophobicContact CD1-CG2 4.08Å; F16-V27 HydrophobicContact CD2-CG2 4.18Å; F16-V27 HydrophobicContact CE1-CG2 3.67Å; F16-V27 HydrophobicContact CE2-CB 4.22Å; F16-V27 HydrophobicContact CE2-CG2 3.81Å; F16-V27 HydrophobicContact CG-CG2 4.31Å; F16-V27 HydrophobicContact CZ-CB 4.18Å; F16-V27 HydrophobicContact CZ-CG2 3.52Å; F16-L32 HydrophobicContact CD2-CD2 3.86Å; F16-L32 HydrophobicContact CE2-CD1 4.39Å; F16-L32 HydrophobicContact CE2-CD2 3.72Å; F16-N66 HydrophobicContact CE1-CB 3.81Å; F16-N66 HydrophobicContact CZ-CB 3.99Å; F16-Y69 AromaticContact CD2-CD1 3.55Å; F16-Y69 HydrophobicContact CD2-CD1 3.55Å; F16-Y69 HydrophobicContact CD2-CE1 4.06Å; F16-Y69 HydrophobicContact CD2-CG 4.32Å; F16-Y69 AromaticContact CE2-CD1 3.62Å; F16-Y69 HydrophobicContact CE2-CD1 3.62Å; F16-Y69 HydrophobicContact CE2-CE1 4.49Å; F16-Y69 AromaticContact CE2-CG 3.94Å; F16-Y69 HydrophobicContact CE2-CG 3.94Å; F16-M70 HydrophobicContact CD2-CE 4.29Å; F16-M70 HydrophobicContact CG-CE 4.26Å
17T83.8Confident80.8Confident42 Ų4241.4 Ų41.426%0.25821%0.211SC..Hα-helixtrans-62.2-30.5177.2-52.50000111.9W13 L19 Y130W13-T17 WeakPolarHBondContact O-CB 3.45Å; W13-T17 PolarHBondContact O-N 3Å; W13-T17 PolarHBondContact O-OG1 2.7Å; T17-L19 VanDerWaalsContact C-N 3.28Å; T17-L19 PolarHBondContact O-N 3.02Å; T17-Y130 WeakPolarHBondContact CG2-OH 3.34Å; T17-Y130 PolarHBondContact OG1-OH 2.67Å
18A83.9Confident80.7Confident4 Ų439.6 Ų39.63%0.03321%0.207CC..Hα-helixtrans-72.4-17.9172.200000113.9H14 A15 F16 C98 K101H14-A18 WeakPolarHBondContact O-CB 3.31Å; H14-A18 PolarHBondContact O-N 2.84Å; H14-A18 VanDerWaalsContact O-N 3.12Å; A15-A18 PolarHBondContact O-N 2.88Å; F16-A18 PolarHBondContact O-N 2.92Å; A18-C98 HydrophobicContact CB-CB 3.68Å; A18-K101 WeakPolarHBondContact O-CD 3.45Å; A18-K101 VanDerWaalsContact O-CE 3.24Å; A18-K101 WeakPolarHBondContact O-CE 3.32Å; A18-K101 PolarHBondContact O-NZ 3.1Å
19L82.3Confident80.2Confident27 Ų2740.8 Ų40.814%0.14121%0.212CC..Hα-helixtrans-90.7-27.4174.2-64.7169.5000112.7A15 F16 T17 Q21 V27 Q31 L35A15-L19 WeakPolarHBondContact O-CG 3.44Å; A15-L19 PolarHBondContact O-N 3.19Å; F16-L19 WeakPolarHBondContact O-CA 3.2Å; F16-L19 WeakPolarHBondContact O-CB 3.33Å; F16-L19 PolarHBondContact O-N 2.93Å; T17-L19 VanDerWaalsContact C-N 3.28Å; T17-L19 PolarHBondContact O-N 3.02Å; L19-Q21 WeakPolarHBondContact O-CG 2.99Å; L19-Q21 PolarHBondContact O-N 3.28Å; L19-V27 HydrophobicContact CB-CG1 3.6Å; L19-V27 HydrophobicContact CB-CG2 4.05Å; L19-V27 HydrophobicContact CD1-CG1 4.34Å; L19-Q31 HydrophobicContact CD1-CB 4.39Å; L19-Q31 HydrophobicContact CD2-CB 4.31Å; L19-Q31 HydrophobicContact CD2-CG 4.31Å; L19-L35 HydrophobicContact CD1-CB 4.3Å; L19-L35 HydrophobicContact CD1-CD2 3.99Å
20D79.6Confident79.8Confident13 Ų1343.4 Ų43.47%0.0723%0.232CC..  trans-73.987.5173.1178.515.9000111F16 D22 H23 S24 G25 V27F16-D20 PolarHBondContact O-N 3.35Å; F16-D20 VanDerWaalsContact O-N 3.08Å; D20-D22 VanDerWaalsContact C-N 3.33Å; D20-D22 PolarHBondContact O-N 3.07Å; D20-H23 PolarHBondContact O-N 3.3Å; D20-H23 PolarHBondContact O-ND1 2.91Å; D20-H23 PolarHBondContact OD1-N 3.4Å; D20-H23 WeakPolarHBondContact OD2-CA 3.33Å; D20-S24 PolarHBondContact OD1-N 3.19Å; D20-S24 PolarHBondContact OD1-OG 2.77Å; D20-S24 PolarHBondContact OD2-N 3.29Å; D20-S24 VanDerWaalsContact OD2-N 3.17Å; D20-G25 VanDerWaalsContact OD2-CA 3.26Å; D20-G25 WeakPolarHBondContact OD2-CA 3.42Å; D20-G25 PolarHBondContact OD2-N 2.74Å; D20-V27 HydrophobicContact CB-CG2 3.94Å
21Q69.7Low79.4Confident124 Ų12445.9 Ų45.958%0.57924%0.244SC*.THydrogen-bonded Turntrans-71-29.1-169.1-43.8-159.712.800113L19L19-Q21 WeakPolarHBondContact O-CG 2.99Å; L19-Q21 PolarHBondContact O-N 3.28Å
22D66.6Low79.1Confident141 Ų14146 Ų4675%0.75425%0.245SC*.THydrogen-bonded Turntrans-97.81.8-176.2-53.2-51.2000112.5D20 S24D20-D22 VanDerWaalsContact C-N 3.33Å; D20-D22 PolarHBondContact O-N 3.07Å; D22-S24 PolarHBondContact O-N 2.84Å
23H68.2Low78.7Confident155 Ų15549.7 Ų49.772%0.71826%0.26SS*.SBendtrans52.533.2-170.4-58.3-15.8000112.9D20 G25D20-H23 PolarHBondContact O-N 3.3Å; D20-H23 PolarHBondContact O-ND1 2.91Å; D20-H23 PolarHBondContact OD1-N 3.4Å; D20-H23 WeakPolarHBondContact OD2-CA 3.33Å; H23-G25 VanDerWaalsContact C-N 3.3Å; H23-G25 PolarHBondContact O-N 3.34Å
24S67.1Low78.6Confident60 Ų6052 Ų5242%0.4228%0.279SS..SBendtrans-81.2-8.5-174.366.30000113.8D20 D22 K26D20-S24 PolarHBondContact OD1-N 3.19Å; D20-S24 PolarHBondContact OD1-OG 2.77Å; D20-S24 PolarHBondContact OD2-N 3.29Å; D20-S24 VanDerWaalsContact OD2-N 3.17Å; D22-S24 PolarHBondContact O-N 2.84Å; S24-K26 VanDerWaalsContact C-N 3.25Å; S24-K26 WeakPolarHBondContact OG-CB 3.31Å; S24-K26 PolarHBondContact OG-N 2.69Å; S24-K26 VanDerWaalsContact OG-N 3.08Å; S24-K26 PolarHBondContact OG-O 3.29Å
25G69.1Low78.6Confident18 Ų1851.2 Ų51.219%0.18628%0.275CS..SBendtrans76.27.3-165.500000113.8D20 H23 S65 N66D20-G25 VanDerWaalsContact OD2-CA 3.26Å; D20-G25 WeakPolarHBondContact OD2-CA 3.42Å; D20-G25 PolarHBondContact OD2-N 2.74Å; H23-G25 VanDerWaalsContact C-N 3.3Å; H23-G25 PolarHBondContact O-N 3.34Å; G25-S65 CarbonylContact O-C 3.58Å; G25-S65 WeakPolarHBondContact O-CA 3.5Å; G25-N66 PolarHBondContact O-N 3.32Å
26K73.8Confident78.5Confident104 Ų10451.2 Ų51.245%0.45228%0.275SS..EExtended strand (participates in β ladder)trans-127.3145-170.9-52.4-177.5177.5-168.80113S24 P63 V64S24-K26 VanDerWaalsContact C-N 3.25Å; S24-K26 WeakPolarHBondContact OG-CB 3.31Å; S24-K26 PolarHBondContact OG-N 2.69Å; S24-K26 VanDerWaalsContact OG-N 3.08Å; S24-K26 PolarHBondContact OG-O 3.29Å; K26-P63 HydrophobicContact CB-CB 3.89Å; K26-P63 HydrophobicContact CB-CG 4.02Å; K26-P63 HydrophobicContact CD-CG 4.01Å; K26-P63 WeakPolarHBondContact CD-O 3.42Å; K26-V64 CarbonylContact C-O 3.54Å; K26-V64 VanDerWaalsContact CA-O 3.26Å; K26-V64 WeakPolarHBondContact CA-O 3.42Å
27V79.5Confident78.6Confident2 Ų255.4 Ų55.41%0.01230%0.295CS..EExtended strand (participates in β ladder)trans-133145-178.8-179.20000110.1F16 L19 D20 Q31 L32 P63 V64F16-V27 HydrophobicContact CD1-CG2 4.08Å; F16-V27 HydrophobicContact CD2-CG2 4.18Å; F16-V27 HydrophobicContact CE1-CG2 3.67Å; F16-V27 HydrophobicContact CE2-CB 4.22Å; F16-V27 HydrophobicContact CE2-CG2 3.81Å; F16-V27 HydrophobicContact CG-CG2 4.31Å; F16-V27 HydrophobicContact CZ-CB 4.18Å; F16-V27 HydrophobicContact CZ-CG2 3.52Å; L19-V27 HydrophobicContact CB-CG1 3.6Å; L19-V27 HydrophobicContact CB-CG2 4.05Å; L19-V27 HydrophobicContact CD1-CG1 4.34Å; D20-V27 HydrophobicContact CB-CG2 3.94Å; V27-Q31 HydrophobicContact CG1-CB 3.85Å; V27-L32 HydrophobicContact CB-CD1 4.24Å; V27-L32 HydrophobicContact CB-CD2 3.93Å; V27-L32 HydrophobicContact CB-CG 4.02Å; V27-L32 HydrophobicContact CG1-CD2 3.7Å; V27-L32 HydrophobicContact CG1-CG 3.81Å; V27-P63 CarbonylContact O-C 3.58Å; V27-P63 WeakPolarHBondContact O-CA 3.47Å; V27-V64 PolarHBondContact N-O 3.4Å; V27-V64 PolarHBondContact O-N 3.08Å
28S80.8Confident78.8Confident38 Ų3856.1 Ų56.127%0.26630%0.297SS..  trans-65.2140.9179.870.50000112.5S30 Q31 L32S28-S30 PolarHBondContact O-N 2.7Å; S28-S30 VanDerWaalsContact O-N 3.14Å; S28-S30 PolarHBondContact OG-OG 2.97Å; S28-Q31 PolarHBondContact O-N 2.78Å; S28-Q31 WeakPolarHBondContact OG-CB 3.28Å; S28-Q31 VanDerWaalsContact OG-CG 3.28Å; S28-Q31 WeakPolarHBondContact OG-CG 3.37Å; S28-Q31 PolarHBondContact OG-N 2.99Å; S28-Q31 PolarHBondContact OG-OE1 2.84Å; S28-L32 PolarHBondContact O-N 3.03Å
29K77.4Confident79Confident33 Ų3355.9 Ų55.914%0.14330%0.295CS..Hα-helixtrans-55.5-31.9-178.8-163.2173.8-168.7167.90113.1K33 F56 D59 D60 V64K29-K33 WeakPolarHBondContact O-CG 3.1Å; K29-K33 PolarHBondContact O-N 3.16Å; K29-F56 PolarHBondContact NZ-O 3.19Å; K29-D59 PolarHBondContact NZ-O 2.89Å; K29-D60 IonicContact NZ-OD1 2.74Å; K29-D60 PolarHBondContact NZ-OD1 3.25Å; K29-V64 HydrophobicContact CB-CG2 4.48Å
30S79.8Confident79.2Confident77 Ų7754.8 Ų54.854%0.53829%0.29SS..Hα-helixtrans-71.2-41.2175.353.70000113.2S28 L32 K33 V34S28-S30 PolarHBondContact O-N 2.7Å; S28-S30 VanDerWaalsContact O-N 3.14Å; S28-S30 PolarHBondContact OG-OG 2.97Å; S30-L32 VanDerWaalsContact C-N 3.34Å; S30-K33 WeakPolarHBondContact O-CB 3.18Å; S30-K33 PolarHBondContact O-N 3.08Å; S30-V34 PolarHBondContact O-N 2.56Å; S30-V34 VanDerWaalsContact O-N 3.13Å
31Q82.7Confident79.5Confident58 Ų5858.4 Ų58.427%0.27131%0.312SS..Hα-helixtrans-64.9-38.7173.1-75.1158.9-19.400111.4L19 V27 S28 V34 L35L19-Q31 HydrophobicContact CD1-CB 4.39Å; L19-Q31 HydrophobicContact CD2-CB 4.31Å; L19-Q31 HydrophobicContact CD2-CG 4.31Å; V27-Q31 HydrophobicContact CG1-CB 3.85Å; S28-Q31 PolarHBondContact O-N 2.78Å; S28-Q31 WeakPolarHBondContact OG-CB 3.28Å; S28-Q31 VanDerWaalsContact OG-CG 3.28Å; S28-Q31 WeakPolarHBondContact OG-CG 3.37Å; S28-Q31 PolarHBondContact OG-N 2.99Å; S28-Q31 PolarHBondContact OG-OE1 2.84Å; Q31-V34 PolarHBondContact O-N 2.86Å; Q31-L35 WeakPolarHBondContact O-CB 3.29Å; Q31-L35 PolarHBondContact O-N 3.01Å
32L82.5Confident80.4Confident3 Ų353.6 Ų53.62%0.01629%0.292CS..Hα-helixtrans-70.3-32.4175.5-63-179.1000113.2F16 V27 S28 S30 L35 S36 V64 Y69F16-L32 HydrophobicContact CD2-CD2 3.86Å; F16-L32 HydrophobicContact CE2-CD1 4.39Å; F16-L32 HydrophobicContact CE2-CD2 3.72Å; V27-L32 HydrophobicContact CB-CD1 4.24Å; V27-L32 HydrophobicContact CB-CD2 3.93Å; V27-L32 HydrophobicContact CB-CG 4.02Å; V27-L32 HydrophobicContact CG1-CD2 3.7Å; V27-L32 HydrophobicContact CG1-CG 3.81Å; S28-L32 PolarHBondContact O-N 3.03Å; S30-L32 VanDerWaalsContact C-N 3.34Å; L32-L35 HydrophobicContact CD2-CD2 4.39Å; L32-S36 VanDerWaalsContact O-CB 3.24Å; L32-S36 WeakPolarHBondContact O-CB 3.32Å; L32-S36 PolarHBondContact O-N 3.1Å; L32-S36 PolarHBondContact O-OG 3.21Å; L32-V64 HydrophobicContact CD1-CB 3.68Å; L32-V64 HydrophobicContact CD1-CG1 3.85Å; L32-V64 HydrophobicContact CD1-CG2 4.36Å; L32-Y69 HydrophobicContact CB-CD2 4.26Å; L32-Y69 HydrophobicContact CB-CE2 4.1Å; L32-Y69 HydrophobicContact CD1-CD2 3.81Å; L32-Y69 HydrophobicContact CD1-CE2 4.45Å; L32-Y69 HydrophobicContact CD1-CG 4.04Å; L32-Y69 HydrophobicContact CD2-CD1 4.17Å; L32-Y69 HydrophobicContact CD2-CD2 4.06Å; L32-Y69 HydrophobicContact CD2-CE1 4.18Å; L32-Y69 HydrophobicContact CD2-CE2 4.08Å; L32-Y69 HydrophobicContact CD2-CG 4.1Å; L32-Y69 HydrophobicContact CG-CD2 4.27Å; L32-Y69 HydrophobicContact CG-CE2 4.44Å
33K81.1Confident81.3Confident77 Ų7747 Ų4734%0.33526%0.256SS..Hα-helixtrans-57.2-51.4167.6-84.9177.1-175.5-169.40111.1K29 S30 S36 H37 L52 E53K29-K33 WeakPolarHBondContact O-CG 3.1Å; K29-K33 PolarHBondContact O-N 3.16Å; S30-K33 WeakPolarHBondContact O-CB 3.18Å; S30-K33 PolarHBondContact O-N 3.08Å; K33-S36 PolarHBondContact O-N 3.47Å; K33-H37 WeakPolarHBondContact O-CB 2.99Å; K33-H37 PolarHBondContact O-N 3.48Å; K33-L52 HydrophobicContact CB-CD2 4.23Å; K33-L52 HydrophobicContact CD-CD2 4.47Å; K33-L52 HydrophobicContact CG-CD2 3.36Å; K33-E53 WeakPolarHBondContact CE-OE1 3.45Å; K33-E53 IonicContact NZ-OE1 3.22Å; K33-E53 PolarHBondContact NZ-OE1 2.59Å
34V84.9Confident82.1Confident88 Ų8845.7 Ų45.753%0.53325%0.248SC..Hα-helixtrans-65.1-43179.41760000112S30 Q31 H37 N38S30-V34 PolarHBondContact O-N 2.56Å; S30-V34 VanDerWaalsContact O-N 3.13Å; Q31-V34 PolarHBondContact O-N 2.86Å; V34-H37 PolarHBondContact O-N 2.97Å; V34-N38 VanDerWaalsContact O-CG 3.24Å; V34-N38 PolarHBondContact O-N 2.84Å; V34-N38 PolarHBondContact O-ND2 3.21Å
35L86.9Confident83Confident4 Ų443.3 Ų43.32%0.02123%0.231CC..Hα-helixtrans-61.3-48175.9179.562.1000111.3A15 L19 Q31 L32 H37 N38 L39 Y69 M93 L97A15-L35 HydrophobicContact CB-CD1 4.32Å; L19-L35 HydrophobicContact CD1-CB 4.3Å; L19-L35 HydrophobicContact CD1-CD2 3.99Å; Q31-L35 WeakPolarHBondContact O-CB 3.29Å; Q31-L35 PolarHBondContact O-N 3.01Å; L32-L35 HydrophobicContact CD2-CD2 4.39Å; L35-H37 VanDerWaalsContact C-N 3.3Å; L35-H37 PolarHBondContact O-N 3.15Å; L35-N38 PolarHBondContact O-N 3.25Å; L35-L39 HydrophobicContact CD1-CD1 3.99Å; L35-L39 HydrophobicContact CD1-CG 4.1Å; L35-L39 HydrophobicContact CG-CD1 3.81Å; L35-L39 HydrophobicContact CG-CG 4.35Å; L35-L39 WeakPolarHBondContact O-CB 3.35Å; L35-L39 WeakPolarHBondContact O-CG 3.32Å; L35-L39 PolarHBondContact O-N 3.27Å; L35-Y69 HydrophobicContact CD2-CE1 4.14Å; L35-M93 HydrophobicContact CD1-CE 4.03Å; L35-L97 HydrophobicContact CD1-CD1 3.83Å
36S85.8Confident83.3Confident0 Ų047.3 Ų47.30%025%0.254CS..Hα-helixtrans-58.6-41.9177.1-60.70000111.9L32 K33 L39 C40 Y69L32-S36 VanDerWaalsContact O-CB 3.24Å; L32-S36 WeakPolarHBondContact O-CB 3.32Å; L32-S36 PolarHBondContact O-N 3.1Å; L32-S36 PolarHBondContact O-OG 3.21Å; K33-S36 PolarHBondContact O-N 3.47Å; S36-L39 PolarHBondContact O-N 3.13Å; S36-C40 WeakPolarHBondContact O-CB 3.1Å; S36-C40 PolarHBondContact O-N 3.26Å; S36-C40 PolarHBondContact O-SG 3.24Å; S36-Y69 PolarHBondContact OG-OH 3.05Å
37H85.9Confident83.2Confident95 Ų9545.6 Ų45.644%0.4425%0.247SC..Hα-helixtrans-63.6-47.7179.2-175.386.1000112.4K33 V34 L35 C40 T41 H47K33-H37 WeakPolarHBondContact O-CB 2.99Å; K33-H37 PolarHBondContact O-N 3.48Å; V34-H37 PolarHBondContact O-N 2.97Å; L35-H37 VanDerWaalsContact C-N 3.3Å; L35-H37 PolarHBondContact O-N 3.15Å; H37-C40 PolarHBondContact O-N 2.93Å; H37-T41 WeakPolarHBondContact O-CB 3.38Å; H37-T41 PolarHBondContact O-N 3.25Å; H37-T41 PolarHBondContact O-OG1 3.27Å; H37-H47 WeakPolarHBondContact CA-NE2 3.38Å; H37-H47 AromaticContact CE1-CD2 3.92Å; H37-H47 AromaticContact CG-CD2 3.76Å; H37-H47 AromaticContact CG-NE2 3.65Å; H37-H47 AromaticContact ND1-CD2 3.07Å; H37-H47 PolarHBondContact ND1-CD2 3.39Å; H37-H47 AromaticContact ND1-NE2 3.06Å; H37-H47 PolarHBondContact ND1-NE2 3.08Å
38N87.4Confident82.8Confident57 Ų5748.8 Ų48.831%0.30526%0.264SS..Hα-helixtrans-65.6-41.4178.5-64.8-12.6000111.2V34 L35 T41 V42 M93V34-N38 VanDerWaalsContact O-CG 3.24Å; V34-N38 PolarHBondContact O-N 2.84Å; V34-N38 PolarHBondContact O-ND2 3.21Å; L35-N38 PolarHBondContact O-N 3.25Å; N38-T41 PolarHBondContact O-N 3.47Å; N38-V42 WeakPolarHBondContact O-CG2 3.26Å; N38-V42 PolarHBondContact O-N 2.9Å; N38-M93 HydrophobicContact CB-CG 4.41Å; N38-M93 HydrophobicContact CB-SD 3.56Å; N38-M93 VanDerWaalsContact CB-SD 3.56Å
39L87.5Confident82.2Confident0 Ų050.5 Ų50.50%027%0.274CS..Hα-helixtrans-60.6-48.5174.9-72.3171.7000111.8I12 L35 S36 T41 V42 L43 L73 I77 F90 M93I12-L39 HydrophobicContact CD1-CD1 4.35Å; I12-L39 HydrophobicContact CD1-CD2 4.07Å; I12-L39 HydrophobicContact CG1-CD1 4.31Å; I12-L39 HydrophobicContact CG1-CD2 3.87Å; I12-L39 HydrophobicContact CG2-CD1 4.28Å; L35-L39 HydrophobicContact CD1-CD1 3.99Å; L35-L39 HydrophobicContact CD1-CG 4.1Å; L35-L39 HydrophobicContact CG-CD1 3.81Å; L35-L39 HydrophobicContact CG-CG 4.35Å; L35-L39 WeakPolarHBondContact O-CB 3.35Å; L35-L39 WeakPolarHBondContact O-CG 3.32Å; L35-L39 PolarHBondContact O-N 3.27Å; S36-L39 PolarHBondContact O-N 3.13Å; L39-T41 VanDerWaalsContact C-N 3.3Å; L39-T41 PolarHBondContact O-N 2.87Å; L39-V42 PolarHBondContact O-N 3.13Å; L39-L43 HydrophobicContact CB-CD1 4.41Å; L39-L43 WeakPolarHBondContact O-CB 3.44Å; L39-L43 WeakPolarHBondContact O-CD1 3.42Å; L39-L43 WeakPolarHBondContact O-CG 3.29Å; L39-L43 PolarHBondContact O-N 3.36Å; L39-L73 HydrophobicContact CD1-CD1 3.99Å; L39-I77 HydrophobicContact CB-CD1 4.33Å; L39-F90 HydrophobicContact CD2-CD2 4.31Å; L39-F90 HydrophobicContact CD2-CE2 3.67Å; L39-M93 HydrophobicContact CD2-CE 3.92Å; L39-M93 HydrophobicContact CD2-SD 4.37Å; L39-M93 HydrophobicContact CG-CE 4.44Å
40C86Confident81.6Confident4 Ų452.8 Ų52.83%0.02729%0.291CS..Hα-helixtrans-59.8-42.3176.9-680000111.7S36 H37 K44 V45 H47S36-C40 WeakPolarHBondContact O-CB 3.1Å; S36-C40 PolarHBondContact O-N 3.26Å; S36-C40 PolarHBondContact O-SG 3.24Å; H37-C40 PolarHBondContact O-N 2.93Å; C40-K44 CarbonylContact O-C 3.56Å; C40-K44 WeakPolarHBondContact O-CA 3.3Å; C40-K44 PolarHBondContact O-N 3.32Å; C40-V45 PolarHBondContact O-N 2.98Å; C40-H47 HydrophobicContact CB-CB 4.11Å
41T86.9Confident81.2Confident89 Ų8949.5 Ų49.555%0.54627%0.269SS..Hα-helixtrans-62.9-52.1-180-58.10000111.8H37 N38 L39 K44H37-T41 WeakPolarHBondContact O-CB 3.38Å; H37-T41 PolarHBondContact O-N 3.25Å; H37-T41 PolarHBondContact O-OG1 3.27Å; N38-T41 PolarHBondContact O-N 3.47Å; L39-T41 VanDerWaalsContact C-N 3.3Å; L39-T41 PolarHBondContact O-N 2.87Å; T41-K44 PolarHBondContact O-N 2.87Å
42V87.9Confident80.6Confident23 Ų2347.1 Ų47.114%0.13926%0.258CS..Hα-helixtrans-71.3-38.8-177.6-178.60000111.6N38 L39 K44 F85 E89 F90N38-V42 WeakPolarHBondContact O-CG2 3.26Å; N38-V42 PolarHBondContact O-N 2.9Å; L39-V42 PolarHBondContact O-N 3.13Å; V42-K44 PolarHBondContact O-N 2.93Å; V42-F85 VanDerWaalsContact O-CB 3.24Å; V42-F85 WeakPolarHBondContact O-CB 3.44Å; V42-E89 HydrophobicContact CG1-CB 4.33Å; V42-E89 HydrophobicContact CG1-CG 4.11Å; V42-F90 HydrophobicContact CG1-CB 3.92Å
43L86.4Confident79.9Confident1 Ų151.8 Ų51.81%0.00528%0.279CS..THydrogen-bonded Turntrans-77-0.4176.1-61.6169.3000113.6L8 L39 V45 I77 V81 F85 F90L8-L43 HydrophobicContact CD1-CD2 4.11Å; L8-L43 HydrophobicContact CD2-CD2 4.15Å; L39-L43 HydrophobicContact CB-CD1 4.41Å; L39-L43 WeakPolarHBondContact O-CB 3.44Å; L39-L43 WeakPolarHBondContact O-CD1 3.42Å; L39-L43 WeakPolarHBondContact O-CG 3.29Å; L39-L43 PolarHBondContact O-N 3.36Å; L43-V45 HydrophobicContact CB-CG2 4.01Å; L43-V45 PolarHBondContact O-N 2.8Å; L43-I77 HydrophobicContact CD1-CG2 3.8Å; L43-V81 HydrophobicContact CB-CG2 4.21Å; L43-V81 HydrophobicContact CD1-CG2 3.93Å; L43-V81 HydrophobicContact CD2-CG1 4.4Å; L43-V81 HydrophobicContact CD2-CG2 4.43Å; L43-V81 HydrophobicContact CG-CG2 4.43Å; L43-F85 HydrophobicContact CD2-CD1 4.06Å; L43-F85 HydrophobicContact CD2-CD2 3.73Å; L43-F85 HydrophobicContact CD2-CE1 4.06Å; L43-F85 HydrophobicContact CD2-CE2 3.67Å; L43-F85 HydrophobicContact CD2-CG 3.94Å; L43-F85 HydrophobicContact CD2-CZ 3.87Å; L43-F90 HydrophobicContact CD1-CD2 4.5Å; L43-F90 HydrophobicContact CD1-CE2 4.27Å; L43-F90 HydrophobicContact CD2-CD2 3.67Å; L43-F90 HydrophobicContact CD2-CE2 4.02Å; L43-F90 HydrophobicContact CD2-CG 4.34Å; L43-F90 HydrophobicContact CG-CD2 4.08Å; L43-F90 HydrophobicContact CG-CE2 4.34Å
44K85.6Confident79.3Confident129 Ų12953.7 Ų53.756%0.56129%0.29SS*.THydrogen-bonded Turntrans55.729.5-178.7-56.4173.7-172.9171.10113.8C40 T41 V42 N84C40-K44 CarbonylContact O-C 3.56Å; C40-K44 WeakPolarHBondContact O-CA 3.3Å; C40-K44 PolarHBondContact O-N 3.32Å; T41-K44 PolarHBondContact O-N 2.87Å; V42-K44 PolarHBondContact O-N 2.93Å; K44-N84 PolarHBondContact NZ-O 3.18Å
45V84.9Confident78.7Confident9 Ų953.2 Ų53.26%0.05528%0.281CS..  trans-85.3134.7177.4173.90000109.3C40 L43 H47 K80 V81C40-V45 PolarHBondContact O-N 2.98Å; L43-V45 HydrophobicContact CB-CG2 4.01Å; L43-V45 PolarHBondContact O-N 2.8Å; V45-H47 PolarHBondContact O-N 2.84Å; V45-K80 HydrophobicContact CG1-CB 3.7Å; V45-K80 HydrophobicContact CG1-CD 3.98Å; V45-K80 HydrophobicContact CG1-CG 4.46Å; V45-K80 HydrophobicContact CG2-CB 4.28Å; V45-V81 HydrophobicContact CG2-CG2 3.94Å
46P76.1Confident77.8Confident103 Ų10353.3 Ų53.367%0.66928%0.282SS*.  trans-56.6115.3173.8-25.534.9000111.4D48P46-D48 PolarHBondContact O-N 2.73Å
47H71.9Confident76.7Confident68 Ų6861 Ų6132%0.31531%0.311SS..  trans-73.6118.5-179.3-171.3-44000110.2H37 C40 V45 P49H37-H47 WeakPolarHBondContact CA-NE2 3.38Å; H37-H47 AromaticContact CE1-CD2 3.92Å; H37-H47 AromaticContact CG-CD2 3.76Å; H37-H47 AromaticContact CG-NE2 3.65Å; H37-H47 AromaticContact ND1-CD2 3.07Å; H37-H47 PolarHBondContact ND1-CD2 3.39Å; H37-H47 AromaticContact ND1-NE2 3.06Å; H37-H47 PolarHBondContact ND1-NE2 3.08Å; C40-H47 HydrophobicContact CB-CB 4.11Å; V45-H47 PolarHBondContact O-N 2.84Å; H47-P49 WeakPolarHBondContact O-CD 3.5Å
48D71.3Confident75.4Confident69 Ų6964.2 Ų64.237%0.36933%0.331SS..  trans-105.6101.2170.8-172.4-22.2000108.5P46 V50 A51P46-D48 PolarHBondContact O-N 2.73Å; D48-V50 VanDerWaalsContact C-N 3.29Å; D48-V50 PolarHBondContact OD1-N 3Å; D48-A51 HydrophobicContact CB-CB 3.92Å; D48-A51 VanDerWaalsContact CG-CB 3.46Å; D48-A51 PolarHBondContact OD1-N 2.83Å
49P66.2Low74.1Confident73 Ų7365.7 Ų65.747%0.47434%0.339SS..Hα-helixtrans-72.1-25.8179.330.1-33.8000112.3H47H47-P49 WeakPolarHBondContact O-CD 3.5Å
50V66.8Low72.5Confident82 Ų8271.6 Ų71.650%0.49737%0.37SS..Hα-helixtrans-73.6-42.4-178.4-176.80000109.8D48 L52 E53 E54D48-V50 VanDerWaalsContact C-N 3.29Å; D48-V50 PolarHBondContact OD1-N 3Å; V50-L52 VanDerWaalsContact C-N 3.25Å; V50-L52 PolarHBondContact O-N 3.19Å; V50-E53 PolarHBondContact O-N 3.09Å; V50-E54 HydrophobicContact CG1-CG 4.03Å; V50-E54 PolarHBondContact O-N 3.41Å
51A70.4Confident70.8Confident8 Ų881 Ų817%0.06641%0.414CS..Hα-helixtrans-57.2-33.7179.100000114.1D48 H55 F76D48-A51 HydrophobicContact CB-CB 3.92Å; D48-A51 VanDerWaalsContact CG-CB 3.46Å; D48-A51 PolarHBondContact OD1-N 2.83Å; A51-H55 WeakPolarHBondContact O-CB 3.11Å; A51-H55 PolarHBondContact O-N 3.48Å; A51-F76 HydrophobicContact CB-CD1 3.76Å; A51-F76 HydrophobicContact CB-CE1 3.8Å
52L69.8Low69.4Low8 Ų878.4 Ų78.44%0.04240%0.404CS..Hα-helixtrans-72.9-38.8174.5-17581000111.8K33 V50 H55 F56 Y72K33-L52 HydrophobicContact CB-CD2 4.23Å; K33-L52 HydrophobicContact CD-CD2 4.47Å; K33-L52 HydrophobicContact CG-CD2 3.36Å; V50-L52 VanDerWaalsContact C-N 3.25Å; V50-L52 PolarHBondContact O-N 3.19Å; L52-H55 PolarHBondContact O-N 2.83Å; L52-F56 HydrophobicContact CD1-CD2 3.9Å; L52-F56 HydrophobicContact CD1-CE2 3.67Å; L52-F56 HydrophobicContact CG-CD2 4.23Å; L52-F56 HydrophobicContact CG-CE2 4.49Å; L52-F56 WeakPolarHBondContact O-CD2 3.48Å; L52-F56 PolarHBondContact O-N 2.99Å; L52-Y72 HydrophobicContact CB-CE2 3.93Å; L52-Y72 HydrophobicContact CD1-CD1 3.72Å; L52-Y72 HydrophobicContact CD1-CD2 3.97Å; L52-Y72 HydrophobicContact CD1-CE1 3.41Å; L52-Y72 VanDerWaalsContact CD1-CE1 3.41Å; L52-Y72 HydrophobicContact CD1-CE2 3.67Å; L52-Y72 HydrophobicContact CD1-CG 4.01Å; L52-Y72 HydrophobicContact CG-CE2 4.4Å
53E68.8Low68.1Low100 Ų10080.5 Ų80.547%0.46742%0.419SS..Hα-helixtrans-73.4-34179.8-67.3-174.8162.100112K33 V50 R57K33-E53 WeakPolarHBondContact CE-OE1 3.45Å; K33-E53 IonicContact NZ-OE1 3.22Å; K33-E53 PolarHBondContact NZ-OE1 2.59Å; V50-E53 PolarHBondContact O-N 3.09Å; E53-R57 VanDerWaalsContact O-CA 3.32Å; E53-R57 WeakPolarHBondContact O-CA 3.37Å; E53-R57 WeakPolarHBondContact O-CB 3.26Å; E53-R57 PolarHBondContact O-N 3.17Å; E53-R57 VanDerWaalsContact O-N 3.17Å
54E68.3Low67Low118 Ų11880.6 Ų80.655%0.55142%0.419SS*.Hα-helixtrans-70.9-37.1170.2-69.4-165.3140.500112.8V50 F56 R57V50-E54 HydrophobicContact CG1-CG 4.03Å; V50-E54 PolarHBondContact O-N 3.41Å; E54-F56 VanDerWaalsContact C-N 3.29Å; E54-F56 PolarHBondContact O-N 3.07Å; E54-R57 WeakPolarHBondContact O-CB 3.36Å; E54-R57 PolarHBondContact O-N 3.07Å; E54-R57 IonicContact OE1-NH1 3.96Å
55H71.6Confident65.9Low77 Ų7776.3 Ų76.336%0.35641%0.406SS..Hα-helixtrans-70.6-24.5-179.6-165.778.6000113.7A51 L52 Y72 F76A51-H55 WeakPolarHBondContact O-CB 3.11Å; A51-H55 PolarHBondContact O-N 3.48Å; L52-H55 PolarHBondContact O-N 2.83Å; H55-Y72 HydrophobicContact CB-CD2 4.1Å; H55-F76 AromaticContact ND1-CE2 3.97Å
56F68.1Low64.9Low7 Ų779.1 Ų79.13%0.03142%0.42CS..THydrogen-bonded Turntrans-115.127.2175.9-63.4-66.2000112.2K29 L52 E54 D58 D59 V64 Y69 Y72K29-F56 PolarHBondContact NZ-O 3.19Å; L52-F56 HydrophobicContact CD1-CD2 3.9Å; L52-F56 HydrophobicContact CD1-CE2 3.67Å; L52-F56 HydrophobicContact CG-CD2 4.23Å; L52-F56 HydrophobicContact CG-CE2 4.49Å; L52-F56 WeakPolarHBondContact O-CD2 3.48Å; L52-F56 PolarHBondContact O-N 2.99Å; E54-F56 VanDerWaalsContact C-N 3.29Å; E54-F56 PolarHBondContact O-N 3.07Å; F56-D58 VanDerWaalsContact C-N 3.26Å; F56-D58 PolarHBondContact O-N 3.3Å; F56-D59 HydrophobicContact CB-CB 4.46Å; F56-D59 PolarHBondContact O-N 3.06Å; F56-D59 VanDerWaalsContact O-N 3.15Å; F56-V64 HydrophobicContact CD1-CG1 3.96Å; F56-V64 HydrophobicContact CD1-CG2 4.07Å; F56-V64 HydrophobicContact CE1-CG1 3.39Å; F56-V64 HydrophobicContact CE1-CG2 4.33Å; F56-V64 HydrophobicContact CG-CG2 4.45Å; F56-V64 HydrophobicContact CZ-CG1 3.82Å; F56-Y69 HydrophobicContact CZ-CD2 4.47Å; F56-Y72 HydrophobicContact CE2-CG 4.25Å
57R62.9Low64.4Low162 Ų16281.9 Ų81.961%0.61142%0.424SS*.THydrogen-bonded Turntrans-63-29.9-171.1-162.9175.7-169.3151.54.1114.2E53 E54E53-R57 VanDerWaalsContact O-CA 3.32Å; E53-R57 WeakPolarHBondContact O-CA 3.37Å; E53-R57 WeakPolarHBondContact O-CB 3.26Å; E53-R57 PolarHBondContact O-N 3.17Å; E53-R57 VanDerWaalsContact O-N 3.17Å; E54-R57 WeakPolarHBondContact O-CB 3.36Å; E54-R57 PolarHBondContact O-N 3.07Å; E54-R57 IonicContact OE1-NH1 3.96Å
58D58.5Low64.3Low162 Ų16279.6 Ų79.687%0.86642%0.419SS*.THydrogen-bonded Turntrans-93.3-13.9179.9-51.6-48.2000112.5F56 D60F56-D58 VanDerWaalsContact C-N 3.26Å; F56-D58 PolarHBondContact O-N 3.3Å; D58-D60 PolarHBondContact O-N 2.87Å
59D60.6Low64.6Low87 Ų8776.3 Ų76.347%0.46540%0.401SS..  trans-97.757.5178.2-86.9-33.2000111.1K29 F56K29-D59 PolarHBondContact NZ-O 2.89Å; F56-D59 HydrophobicContact CB-CB 4.46Å; F56-D59 PolarHBondContact O-N 3.06Å; F56-D59 VanDerWaalsContact O-N 3.15Å
60D53.5Low65.2Low124 Ų12474.2 Ų74.266%0.66339%0.386SS*.  trans-89.5-19.2173.8-92.4-27000113.9K29 D58K29-D60 IonicContact NZ-OD1 2.74Å; K29-D60 PolarHBondContact NZ-OD1 3.25Å; D58-D60 PolarHBondContact O-N 2.87Å
61E50.7Low65.8Low203 Ų20373.5 Ų73.595%0.94938%0.383SS*.SBendtrans-91.7-3.1-174-73.2-85.7121.700114.9
62G56.5Low66.3Low33 Ų3373.4 Ų73.434%0.3438%0.38SS..SBendtrans-154166.2-16900000117.7
63P60.3Low67Low68 Ų6873 Ų7344%0.44238%0.378SS..PPolyproline II helixtrans-74.2133.8173.431-32.9000110.7K26 V27K26-P63 HydrophobicContact CB-CB 3.89Å; K26-P63 HydrophobicContact CB-CG 4.02Å; K26-P63 HydrophobicContact CD-CG 4.01Å; K26-P63 WeakPolarHBondContact CD-O 3.42Å; V27-P63 CarbonylContact O-C 3.58Å; V27-P63 WeakPolarHBondContact O-CA 3.47Å
64V63.4Low67.7Low3 Ų370.8 Ų70.82%0.01837%0.37CS..EExtended strand (participates in β ladder)trans-78.9132.3-171173.90000110.4K26 V27 K29 L32 F56K26-V64 CarbonylContact C-O 3.54Å; K26-V64 VanDerWaalsContact CA-O 3.26Å; K26-V64 WeakPolarHBondContact CA-O 3.42Å; V27-V64 PolarHBondContact N-O 3.4Å; V27-V64 PolarHBondContact O-N 3.08Å; K29-V64 HydrophobicContact CB-CG2 4.48Å; L32-V64 HydrophobicContact CD1-CB 3.68Å; L32-V64 HydrophobicContact CD1-CG1 3.85Å; L32-V64 HydrophobicContact CD1-CG2 4.36Å; F56-V64 HydrophobicContact CD1-CG1 3.96Å; F56-V64 HydrophobicContact CD1-CG2 4.07Å; F56-V64 HydrophobicContact CE1-CG1 3.39Å; F56-V64 HydrophobicContact CE1-CG2 4.33Å; F56-V64 HydrophobicContact CG-CG2 4.45Å; F56-V64 HydrophobicContact CZ-CG1 3.82Å
65S64.2Low68.3Low39 Ų3973.2 Ų73.227%0.27337%0.374SS..EExtended strand (participates in β ladder)trans-74.2158.3179.670.40000113.2G25 Q67 G68 Y69G25-S65 CarbonylContact O-C 3.58Å; G25-S65 WeakPolarHBondContact O-CA 3.5Å; S65-Q67 PolarHBondContact O-N 2.99Å; S65-Q67 PolarHBondContact OG-N 3.18Å; S65-G68 PolarHBondContact O-N 2.9Å; S65-G68 PolarHBondContact OG-N 3.01Å; S65-G68 VanDerWaalsContact OG-N 3.17Å; S65-Y69 PolarHBondContact O-N 3.42Å
66N62.9Low68.7Low67 Ų6771.9 Ų71.936%0.35837%0.367SS..Hα-helixtrans-53.2-36166.959.10.2000112.6F16 G25 G68 M70F16-N66 HydrophobicContact CE1-CB 3.81Å; F16-N66 HydrophobicContact CZ-CB 3.99Å; G25-N66 PolarHBondContact O-N 3.32Å; N66-G68 VanDerWaalsContact C-N 3.32Å; N66-G68 PolarHBondContact O-N 2.91Å; N66-M70 WeakPolarHBondContact O-CB 3.25Å; N66-M70 WeakPolarHBondContact O-CG 3.45Å; N66-M70 PolarHBondContact O-N 2.93Å; N66-M70 VanDerWaalsContact O-N 3.08Å
67Q64.7Low69.3Low162 Ų16271.5 Ų71.576%0.75737%0.366SS*.Hα-helixtrans-66.5-28.8176.1-67.3179.6-100113.2S65 P71S65-Q67 PolarHBondContact O-N 2.99Å; S65-Q67 PolarHBondContact OG-N 3.18Å; Q67-P71 WeakPolarHBondContact O-CD 3.47Å; Q67-P71 VanDerWaalsContact O-CG 3.25Å; Q67-P71 WeakPolarHBondContact O-CG 3.4Å
68G70.1Confident70.4Confident19 Ų1964 Ų6420%0.19634%0.338CS..Hα-helixtrans-84-39.8173.500000113.7S65 N66 P71S65-G68 PolarHBondContact O-N 2.9Å; S65-G68 PolarHBondContact OG-N 3.01Å; S65-G68 VanDerWaalsContact OG-N 3.17Å; N66-G68 VanDerWaalsContact C-N 3.32Å; N66-G68 PolarHBondContact O-N 2.91Å; G68-P71 WeakPolarHBondContact O-CD 3.36Å
69Y78.1Confident71.6Confident0 Ų062 Ų620%032%0.323CS..Hα-helixtrans-75.4-33.7-177.3-173.4-111.6000114.3F16 L32 L35 S36 F56 S65 Y72 L73F16-Y69 AromaticContact CD2-CD1 3.55Å; F16-Y69 HydrophobicContact CD2-CD1 3.55Å; F16-Y69 HydrophobicContact CD2-CE1 4.06Å; F16-Y69 HydrophobicContact CD2-CG 4.32Å; F16-Y69 AromaticContact CE2-CD1 3.62Å; F16-Y69 HydrophobicContact CE2-CD1 3.62Å; F16-Y69 HydrophobicContact CE2-CE1 4.49Å; F16-Y69 AromaticContact CE2-CG 3.94Å; F16-Y69 HydrophobicContact CE2-CG 3.94Å; L32-Y69 HydrophobicContact CB-CD2 4.26Å; L32-Y69 HydrophobicContact CB-CE2 4.1Å; L32-Y69 HydrophobicContact CD1-CD2 3.81Å; L32-Y69 HydrophobicContact CD1-CE2 4.45Å; L32-Y69 HydrophobicContact CD1-CG 4.04Å; L32-Y69 HydrophobicContact CD2-CD1 4.17Å; L32-Y69 HydrophobicContact CD2-CD2 4.06Å; L32-Y69 HydrophobicContact CD2-CE1 4.18Å; L32-Y69 HydrophobicContact CD2-CE2 4.08Å; L32-Y69 HydrophobicContact CD2-CG 4.1Å; L32-Y69 HydrophobicContact CG-CD2 4.27Å; L32-Y69 HydrophobicContact CG-CE2 4.44Å; L35-Y69 HydrophobicContact CD2-CE1 4.14Å; S36-Y69 PolarHBondContact OG-OH 3.05Å; F56-Y69 HydrophobicContact CZ-CD2 4.47Å; S65-Y69 PolarHBondContact O-N 3.42Å; Y69-Y72 HydrophobicContact CD2-CD1 4.24Å; Y69-Y72 AromaticContact CE2-CD1 3.94Å; Y69-Y72 HydrophobicContact CE2-CD1 3.94Å; Y69-Y72 HydrophobicContact CE2-CE1 4.43Å; Y69-Y72 PolarHBondContact O-N 2.81Å; Y69-L73 HydrophobicContact CE1-CB 4.34Å; Y69-L73 HydrophobicContact CE1-CD1 4.46Å; Y69-L73 HydrophobicContact CE1-CD2 4.31Å; Y69-L73 VanDerWaalsContact O-CB 3.32Å; Y69-L73 WeakPolarHBondContact O-CB 3.48Å; Y69-L73 PolarHBondContact O-N 2.95Å
70M79.3Confident72.7Confident30 Ų3062 Ų6215%0.14832%0.319CS..Hα-helixtrans-66.8-39-177.7-65.2-66.1153.300113.8L9 W13 F16 N66 L73 N74L9-M70 HydrophobicContact CD1-SD 3.92Å; W13-M70 VanDerWaalsContact CD1-CE 3.49Å; F16-M70 HydrophobicContact CD2-CE 4.29Å; F16-M70 HydrophobicContact CG-CE 4.26Å; N66-M70 WeakPolarHBondContact O-CB 3.25Å; N66-M70 WeakPolarHBondContact O-CG 3.45Å; N66-M70 PolarHBondContact O-N 2.93Å; N66-M70 VanDerWaalsContact O-N 3.08Å; M70-L73 PolarHBondContact O-N 3.49Å; M70-L73 HydrophobicContact SD-CD2 3.93Å; M70-N74 WeakPolarHBondContact O-CB 3.17Å; M70-N74 PolarHBondContact O-N 3.18Å; M70-N74 PolarHBondContact O-ND2 3.5Å
71P78.9Confident74.1Confident67 Ų6757.1 Ų57.144%0.43529%0.293SS..Hα-helixtrans-59.1-46.2169.7-27.836.1000113.5Q67 G68 N74 R75Q67-P71 WeakPolarHBondContact O-CD 3.47Å; Q67-P71 VanDerWaalsContact O-CG 3.25Å; Q67-P71 WeakPolarHBondContact O-CG 3.4Å; G68-P71 WeakPolarHBondContact O-CD 3.36Å; P71-N74 PolarHBondContact O-N 3.47Å; P71-R75 WeakPolarHBondContact O-CB 3.23Å; P71-R75 PolarHBondContact O-N 3.42Å; P71-R75 VanDerWaalsContact O-N 3.08Å
72Y81.8Confident75.5Confident5 Ų553.7 Ų53.72%0.0228%0.277CS..Hα-helixtrans-57.2-53.5174.8172.3-95.6000111.2L52 H55 F56 Y69 N74 R75 F76 I77L52-Y72 HydrophobicContact CB-CE2 3.93Å; L52-Y72 HydrophobicContact CD1-CD1 3.72Å; L52-Y72 HydrophobicContact CD1-CD2 3.97Å; L52-Y72 HydrophobicContact CD1-CE1 3.41Å; L52-Y72 VanDerWaalsContact CD1-CE1 3.41Å; L52-Y72 HydrophobicContact CD1-CE2 3.67Å; L52-Y72 HydrophobicContact CD1-CG 4.01Å; L52-Y72 HydrophobicContact CG-CE2 4.4Å; H55-Y72 HydrophobicContact CB-CD2 4.1Å; F56-Y72 HydrophobicContact CE2-CG 4.25Å; Y69-Y72 HydrophobicContact CD2-CD1 4.24Å; Y69-Y72 AromaticContact CE2-CD1 3.94Å; Y69-Y72 HydrophobicContact CE2-CD1 3.94Å; Y69-Y72 HydrophobicContact CE2-CE1 4.43Å; Y69-Y72 PolarHBondContact O-N 2.81Å; Y72-N74 VanDerWaalsContact C-N 3.29Å; Y72-N74 PolarHBondContact O-N 3.04Å; Y72-R75 PolarHBondContact O-N 3.39Å; Y72-F76 HydrophobicContact CD2-CB 4.05Å; Y72-F76 AromaticContact CD2-CD2 3.4Å; Y72-F76 HydrophobicContact CD2-CD2 3.4Å; Y72-F76 VanDerWaalsContact CD2-CD2 3.4Å; Y72-F76 HydrophobicContact CD2-CE2 4.08Å; Y72-F76 AromaticContact CD2-CG 3.92Å; Y72-F76 HydrophobicContact CD2-CG 3.92Å; Y72-F76 HydrophobicContact CE2-CB 3.61Å; Y72-F76 AromaticContact CE2-CD2 3.71Å; Y72-F76 HydrophobicContact CE2-CD2 3.71Å; Y72-F76 AromaticContact CE2-CG 3.71Å; Y72-F76 HydrophobicContact CE2-CG 3.71Å; Y72-F76 HydrophobicContact CG-CD2 4.22Å; Y72-F76 PolarHBondContact O-N 3.02Å; Y72-I77 HydrophobicContact CE1-CD1 4.03Å; Y72-I77 HydrophobicContact CE1-CG1 4.26Å
73L83.6Confident76.5Confident0 Ų057.5 Ų57.50%029%0.29CS..Iπ-helixtrans-55.9-44.5-178178.567.3000111.6L9 I12 L39 Y69 M70 I77 L78L9-L73 HydrophobicContact CD1-CD2 3.9Å; I12-L73 HydrophobicContact CB-CD2 4.39Å; I12-L73 HydrophobicContact CD1-CD1 4.25Å; I12-L73 HydrophobicContact CD1-CD2 4.26Å; I12-L73 HydrophobicContact CG2-CD1 4.46Å; I12-L73 HydrophobicContact CG2-CD2 3.62Å; L39-L73 HydrophobicContact CD1-CD1 3.99Å; Y69-L73 HydrophobicContact CE1-CB 4.34Å; Y69-L73 HydrophobicContact CE1-CD1 4.46Å; Y69-L73 HydrophobicContact CE1-CD2 4.31Å; Y69-L73 VanDerWaalsContact O-CB 3.32Å; Y69-L73 WeakPolarHBondContact O-CB 3.48Å; Y69-L73 PolarHBondContact O-N 2.95Å; M70-L73 PolarHBondContact O-N 3.49Å; M70-L73 HydrophobicContact SD-CD2 3.93Å; L73-I77 HydrophobicContact CD1-CB 4.27Å; L73-I77 HydrophobicContact CD1-CD1 4.09Å; L73-I77 WeakPolarHBondContact O-CB 3.42Å; L73-I77 PolarHBondContact O-N 2.75Å; L73-L78 HydrophobicContact CD1-CG 4.46Å; L73-L78 HydrophobicContact CD2-CD1 4.27Å; L73-L78 HydrophobicContact CG-CD1 3.98Å; L73-L78 HydrophobicContact CG-CG 4.17Å; L73-L78 PolarHBondContact O-N 2.94Å
74N83.6Confident77.4Confident53 Ų5357.8 Ų57.828%0.28329%0.288SS..Iπ-helixtrans-64.9-49.1178.9-84.8-74.6000112.5M70 P71 Y72 E79M70-N74 WeakPolarHBondContact O-CB 3.17Å; M70-N74 PolarHBondContact O-N 3.18Å; M70-N74 PolarHBondContact O-ND2 3.5Å; P71-N74 PolarHBondContact O-N 3.47Å; Y72-N74 VanDerWaalsContact C-N 3.29Å; Y72-N74 PolarHBondContact O-N 3.04Å; N74-E79 WeakPolarHBondContact O-CB 3.48Å; N74-E79 WeakPolarHBondContact O-CG 3.32Å; N74-E79 PolarHBondContact O-N 3.27Å
75R81.3Confident78.5Confident169 Ų16958.4 Ų58.464%0.63829%0.29SS*.Iπ-helixtrans-80.3-38.1-171.4-174.9173.9179.2159.4-0.2114.3P71 Y72P71-R75 WeakPolarHBondContact O-CB 3.23Å; P71-R75 PolarHBondContact O-N 3.42Å; P71-R75 VanDerWaalsContact O-N 3.08Å; Y72-R75 PolarHBondContact O-N 3.39Å
76F78.9Confident79.5Confident49 Ų4960.2 Ų60.222%0.21530%0.297CS..Iπ-helixtrans-99-24.4-172.5-66.8-84.2000113.8A51 H55 Y72 K80A51-F76 HydrophobicContact CB-CD1 3.76Å; A51-F76 HydrophobicContact CB-CE1 3.8Å; H55-F76 AromaticContact ND1-CE2 3.97Å; Y72-F76 HydrophobicContact CD2-CB 4.05Å; Y72-F76 AromaticContact CD2-CD2 3.4Å; Y72-F76 HydrophobicContact CD2-CD2 3.4Å; Y72-F76 VanDerWaalsContact CD2-CD2 3.4Å; Y72-F76 HydrophobicContact CD2-CE2 4.08Å; Y72-F76 AromaticContact CD2-CG 3.92Å; Y72-F76 HydrophobicContact CD2-CG 3.92Å; Y72-F76 HydrophobicContact CE2-CB 3.61Å; Y72-F76 AromaticContact CE2-CD2 3.71Å; Y72-F76 HydrophobicContact CE2-CD2 3.71Å; Y72-F76 AromaticContact CE2-CG 3.71Å; Y72-F76 HydrophobicContact CE2-CG 3.71Å; Y72-F76 HydrophobicContact CG-CD2 4.22Å; Y72-F76 PolarHBondContact O-N 3.02Å; F76-K80 VanDerWaalsContact O-CD 3.28Å; F76-K80 WeakPolarHBondContact O-CD 3.49Å; F76-K80 VanDerWaalsContact O-CE 3.31Å; F76-K80 WeakPolarHBondContact O-CE 3.49Å; F76-K80 PolarHBondContact O-NZ 2.86Å
77I82.5Confident80.7Confident0 Ų061 Ų610%030%0.297CS..Iπ-helixtrans-111.1-68.9178.4-53.3-175.6000110.7L39 L43 Y72 L73 E79 K80 V81L39-I77 HydrophobicContact CB-CD1 4.33Å; L43-I77 HydrophobicContact CD1-CG2 3.8Å; Y72-I77 HydrophobicContact CE1-CD1 4.03Å; Y72-I77 HydrophobicContact CE1-CG1 4.26Å; L73-I77 HydrophobicContact CD1-CB 4.27Å; L73-I77 HydrophobicContact CD1-CD1 4.09Å; L73-I77 WeakPolarHBondContact O-CB 3.42Å; L73-I77 PolarHBondContact O-N 2.75Å; I77-E79 VanDerWaalsContact C-N 3.28Å; I77-E79 PolarHBondContact O-N 3.44Å; I77-K80 PolarHBondContact O-N 2.72Å; I77-V81 PolarHBondContact O-N 3.24Å
78L84.3Confident81.9Confident5 Ų555.9 Ų55.93%0.02627%0.274CS..Iπ-helixtrans-65.3-24-168.8-61.2175.8000114.5K5 L8 L9 I12 L73 K80K5-L78 HydrophobicContact CD-CB 4.33Å; K5-L78 WeakPolarHBondContact CE-O 3.32Å; K5-L78 HydrophobicContact CG-CB 4.24Å; L8-L78 HydrophobicContact CB-CD2 4.05Å; L8-L78 HydrophobicContact CD1-CD2 4.08Å; L9-L78 HydrophobicContact CD1-CD1 4.16Å; I12-L78 HydrophobicContact CD1-CD2 4.16Å; L73-L78 HydrophobicContact CD1-CG 4.46Å; L73-L78 HydrophobicContact CD2-CD1 4.27Å; L73-L78 HydrophobicContact CG-CD1 3.98Å; L73-L78 HydrophobicContact CG-CG 4.17Å; L73-L78 PolarHBondContact O-N 2.94Å; L78-K80 VanDerWaalsContact C-N 3.33Å
79E83.6Confident82.9Confident120 Ų12060.5 Ų60.556%0.56129%0.291SS*.THydrogen-bonded Turntrans-72.7-21.5170.7-86.6177.8176.700114.7K5 N74 I77K5-E79 IonicContact NZ-OE1 2.8Å; K5-E79 PolarHBondContact NZ-OE1 2.68Å; N74-E79 WeakPolarHBondContact O-CB 3.48Å; N74-E79 WeakPolarHBondContact O-CG 3.32Å; N74-E79 PolarHBondContact O-N 3.27Å; I77-E79 VanDerWaalsContact C-N 3.28Å; I77-E79 PolarHBondContact O-N 3.44Å
80K84Confident83.5Confident87 Ų8760.5 Ų60.538%0.37829%0.291SS..THydrogen-bonded Turntrans-98.7-5.2-178.7-58.1-177.1-168.8162.40113.3V45 F76 I77 L78V45-K80 HydrophobicContact CG1-CB 3.7Å; V45-K80 HydrophobicContact CG1-CD 3.98Å; V45-K80 HydrophobicContact CG1-CG 4.46Å; V45-K80 HydrophobicContact CG2-CB 4.28Å; F76-K80 VanDerWaalsContact O-CD 3.28Å; F76-K80 WeakPolarHBondContact O-CD 3.49Å; F76-K80 VanDerWaalsContact O-CE 3.31Å; F76-K80 WeakPolarHBondContact O-CE 3.49Å; F76-K80 PolarHBondContact O-NZ 2.86Å; I77-K80 PolarHBondContact O-N 2.72Å; L78-K80 VanDerWaalsContact C-N 3.33Å
81V84.3Confident84.1Confident21 Ų2160.1 Ų60.113%0.12729%0.289CS..  trans-67.8132.5-179.1177.70000111L4 L8 L43 V45 I77 F85L4-V81 HydrophobicContact CD2-CG1 4.38Å; L8-V81 HydrophobicContact CD1-CG1 4.07Å; L8-V81 HydrophobicContact CD1-CG2 4.47Å; L43-V81 HydrophobicContact CB-CG2 4.21Å; L43-V81 HydrophobicContact CD1-CG2 3.93Å; L43-V81 HydrophobicContact CD2-CG1 4.4Å; L43-V81 HydrophobicContact CD2-CG2 4.43Å; L43-V81 HydrophobicContact CG-CG2 4.43Å; V45-V81 HydrophobicContact CG2-CG2 3.94Å; I77-V81 PolarHBondContact O-N 3.24Å; V81-F85 HydrophobicContact CG1-CD1 3.98Å; V81-F85 HydrophobicContact CG1-CE1 3.45Å; V81-F85 VanDerWaalsContact CG1-CE1 3.45Å; V81-F85 HydrophobicContact CG1-CZ 4.28Å
82Q79.7Confident84.8Confident131 Ų13161.2 Ų61.261%0.61229%0.285SS*.  trans-111.6158.7168.3-61.5-179-0.300109.1N84 F85Q82-N84 PolarHBondContact O-N 2.58Å; Q82-N84 PolarHBondContact OE1-ND2 3.42Å; Q82-F85 WeakPolarHBondContact O-CD1 3.21Å; Q82-F85 WeakPolarHBondContact O-CE1 3.48Å
83D76.1Confident85.3Confident112 Ų11262.2 Ų62.260%0.59929%0.29SS*.THydrogen-bonded Turntrans-79.145.5-177.3-151.934.2000112.7K87D83-K87 WeakPolarHBondContact OD1-CE 3.47Å; D83-K87 IonicContact OD1-NZ 3.55Å; D83-K87 PolarHBondContact OD1-NZ 2.93Å; D83-K87 IonicContact OD2-NZ 2.93Å
84N80.3Confident85.6Confident74 Ų7462.2 Ų62.240%0.39629%0.29SS..THydrogen-bonded Turntrans-119.16-171.372.216.9000114.3K44 Q82K44-N84 PolarHBondContact NZ-O 3.18Å; Q82-N84 PolarHBondContact O-N 2.58Å; Q82-N84 PolarHBondContact OE1-ND2 3.42Å
85F86.1Confident86Confident17 Ų1759.9 Ų59.98%0.07528%0.277CS..SBendtrans-100.5165.8177.164.7-82.3000112.2L4 L8 V42 L43 V81 Q82 K87 F90L4-F85 HydrophobicContact CD1-CZ 4.33Å; L8-F85 HydrophobicContact CD1-CZ 4.06Å; L8-F85 HydrophobicContact CD2-CE2 3.84Å; L8-F85 HydrophobicContact CD2-CZ 3.79Å; L8-F85 HydrophobicContact CG-CZ 4.44Å; V42-F85 VanDerWaalsContact O-CB 3.24Å; V42-F85 WeakPolarHBondContact O-CB 3.44Å; L43-F85 HydrophobicContact CD2-CD1 4.06Å; L43-F85 HydrophobicContact CD2-CD2 3.73Å; L43-F85 HydrophobicContact CD2-CE1 4.06Å; L43-F85 HydrophobicContact CD2-CE2 3.67Å; L43-F85 HydrophobicContact CD2-CG 3.94Å; L43-F85 HydrophobicContact CD2-CZ 3.87Å; V81-F85 HydrophobicContact CG1-CD1 3.98Å; V81-F85 HydrophobicContact CG1-CE1 3.45Å; V81-F85 VanDerWaalsContact CG1-CE1 3.45Å; V81-F85 HydrophobicContact CG1-CZ 4.28Å; Q82-F85 WeakPolarHBondContact O-CD1 3.21Å; Q82-F85 WeakPolarHBondContact O-CE1 3.48Å; F85-K87 HydrophobicContact CD2-CG 4.26Å; F85-K87 HydrophobicContact CE2-CB 4.43Å; F85-K87 HydrophobicContact CE2-CG 3.58Å; F85-K87 HydrophobicContact CZ-CG 4Å; F85-F90 HydrophobicContact CD2-CB 4.23Å; F85-F90 HydrophobicContact CE2-CB 4.29Å; F85-F90 HydrophobicContact CE2-CG 4.47Å
86D85.7Confident86.4Confident77 Ų7755.3 Ų55.341%0.41227%0.268SS..  trans-86.6115.4173.6-169.4-49.5000110.3I88 E89 F90D86-I88 VanDerWaalsContact C-N 3.29Å; D86-I88 PolarHBondContact O-N 2.84Å; D86-I88 WeakPolarHBondContact OD1-CA 3.43Å; D86-I88 VanDerWaalsContact OD1-CB 3.25Å; D86-I88 WeakPolarHBondContact OD1-CB 3.48Å; D86-I88 PolarHBondContact OD1-N 2.91Å; D86-E89 HydrophobicContact CB-CB 3.85Å; D86-E89 PolarHBondContact O-N 2.83Å; D86-E89 PolarHBondContact OD1-N 2.95Å; D86-F90 WeakPolarHBondContact O-CB 3.38Å; D86-F90 PolarHBondContact O-N 3.12Å
87K87.8Confident86.7Confident83 Ų8355.7 Ų55.736%0.36127%0.272SS..Hα-helixtrans-68.4-25.8-179.2-68.1176.9-177175.60112.7D83 F85 N91D83-K87 WeakPolarHBondContact OD1-CE 3.47Å; D83-K87 IonicContact OD1-NZ 3.55Å; D83-K87 PolarHBondContact OD1-NZ 2.93Å; D83-K87 IonicContact OD2-NZ 2.93Å; F85-K87 HydrophobicContact CD2-CG 4.26Å; F85-K87 HydrophobicContact CE2-CB 4.43Å; F85-K87 HydrophobicContact CE2-CG 3.58Å; F85-K87 HydrophobicContact CZ-CG 4Å; K87-N91 WeakPolarHBondContact O-CB 3.47Å; K87-N91 PolarHBondContact O-N 3.09Å; K87-N91 VanDerWaalsContact O-N 3.15Å; K87-N91 PolarHBondContact O-ND2 2.96Å
88I89.9Confident86.9Confident55 Ų5555.7 Ų55.728%0.28227%0.272SS..Hα-helixtrans-76.3-44.2175.7-46.9176.7000109.6D86 N91 R92 F116 L209D86-I88 VanDerWaalsContact C-N 3.29Å; D86-I88 PolarHBondContact O-N 2.84Å; D86-I88 WeakPolarHBondContact OD1-CA 3.43Å; D86-I88 VanDerWaalsContact OD1-CB 3.25Å; D86-I88 WeakPolarHBondContact OD1-CB 3.48Å; D86-I88 PolarHBondContact OD1-N 2.91Å; I88-N91 PolarHBondContact O-N 2.88Å; I88-R92 VanDerWaalsContact O-CB 3.3Å; I88-R92 WeakPolarHBondContact O-CB 3.5Å; I88-R92 PolarHBondContact O-N 3.42Å; I88-F116 HydrophobicContact CG2-CE1 4.11Å; I88-F116 HydrophobicContact CG2-CZ 4.29Å; I88-L209 HydrophobicContact CD1-CD1 4.35Å; I88-L209 HydrophobicContact CD1-CD2 3.68Å; I88-L209 HydrophobicContact CG1-CD2 4Å
89E90.1Very high87Confident115 Ų11555.8 Ų55.854%0.53727%0.273SS..Hα-helixtrans-61.1-45.1176.5-171172.2-150.700111.4V42 D86 R92 M93V42-E89 HydrophobicContact CG1-CB 4.33Å; V42-E89 HydrophobicContact CG1-CG 4.11Å; D86-E89 HydrophobicContact CB-CB 3.85Å; D86-E89 PolarHBondContact O-N 2.83Å; D86-E89 PolarHBondContact OD1-N 2.95Å; E89-R92 PolarHBondContact O-N 2.97Å; E89-M93 PolarHBondContact O-N 2.69Å
90F92.1Very high86.7Confident1 Ų158.8 Ų58.80%0.00428%0.284CS..Hα-helixtrans-57.1-49.5172.9167.5-93.2000112.9L8 A11 I12 L39 V42 L43 F85 D86 R92 M93 C94L8-F90 HydrophobicContact CB-CE1 4.29Å; L8-F90 HydrophobicContact CB-CZ 3.91Å; L8-F90 HydrophobicContact CD2-CD1 3.56Å; L8-F90 HydrophobicContact CD2-CD2 4.17Å; L8-F90 HydrophobicContact CD2-CE1 3.25Å; L8-F90 HydrophobicContact CD2-CE2 3.88Å; L8-F90 HydrophobicContact CD2-CG 4.01Å; L8-F90 HydrophobicContact CD2-CZ 3.42Å; L8-F90 VanDerWaalsContact CD2-CZ 3.42Å; L8-F90 HydrophobicContact CG-CE1 4.36Å; L8-F90 HydrophobicContact CG-CZ 4.25Å; A11-F90 HydrophobicContact CB-CE1 3.6Å; A11-F90 HydrophobicContact CB-CZ 4.02Å; I12-F90 HydrophobicContact CD1-CE2 4.17Å; I12-F90 HydrophobicContact CD1-CZ 3.98Å; I12-F90 HydrophobicContact CG1-CE2 4.17Å; I12-F90 HydrophobicContact CG1-CZ 3.85Å; L39-F90 HydrophobicContact CD2-CD2 4.31Å; L39-F90 HydrophobicContact CD2-CE2 3.67Å; V42-F90 HydrophobicContact CG1-CB 3.92Å; L43-F90 HydrophobicContact CD1-CD2 4.5Å; L43-F90 HydrophobicContact CD1-CE2 4.27Å; L43-F90 HydrophobicContact CD2-CD2 3.67Å; L43-F90 HydrophobicContact CD2-CE2 4.02Å; L43-F90 HydrophobicContact CD2-CG 4.34Å; L43-F90 HydrophobicContact CG-CD2 4.08Å; L43-F90 HydrophobicContact CG-CE2 4.34Å; F85-F90 HydrophobicContact CD2-CB 4.23Å; F85-F90 HydrophobicContact CE2-CB 4.29Å; F85-F90 HydrophobicContact CE2-CG 4.47Å; D86-F90 WeakPolarHBondContact O-CB 3.38Å; D86-F90 PolarHBondContact O-N 3.12Å; F90-R92 VanDerWaalsContact C-N 3.3Å; F90-R92 PolarHBondContact O-N 3.49Å; F90-M93 PolarHBondContact O-N 3.44Å; F90-C94 PolarHBondContact O-N 3Å; F90-C94 VanDerWaalsContact O-N 3.15Å; F90-C94 PolarHBondContact O-SG 2.91Å; F90-C94 VanDerWaalsContact O-SG 3.33Å
91N92.3Very high86.2Confident22 Ų2259.9 Ų59.912%0.11829%0.289CS..Hα-helixtrans-64.1-37.3177.4-88.1-80.1000111.3K87 I88 C94 W95 F116 W119 V120 N123K87-N91 WeakPolarHBondContact O-CB 3.47Å; K87-N91 PolarHBondContact O-N 3.09Å; K87-N91 VanDerWaalsContact O-N 3.15Å; K87-N91 PolarHBondContact O-ND2 2.96Å; I88-N91 PolarHBondContact O-N 2.88Å; N91-C94 PolarHBondContact O-N 2.84Å; N91-W95 WeakPolarHBondContact O-CB 3.16Å; N91-W95 PolarHBondContact O-N 2.97Å; N91-F116 HydrophobicContact CB-CE2 4.05Å; N91-F116 HydrophobicContact CB-CZ 4.05Å; N91-W119 HydrophobicContact CB-CZ3 4.09Å; N91-W119 WeakPolarHBondContact O-CZ3 3.26Å; N91-W119 WeakPolarHBondContact OD1-CZ3 3.22Å; N91-V120 HydrophobicContact CB-CG2 3.75Å; N91-N123 PolarHBondContact OD1-ND2 3.37Å
92R92.6Very high85.8Confident90 Ų9061.7 Ų61.734%0.3430%0.298SS..Hα-helixtrans-67.1-39178.2-167.7174.4-65-85.52.1111.8I88 E89 F90 W95 T96 E113 F116I88-R92 VanDerWaalsContact O-CB 3.3Å; I88-R92 WeakPolarHBondContact O-CB 3.5Å; I88-R92 PolarHBondContact O-N 3.42Å; E89-R92 PolarHBondContact O-N 2.97Å; F90-R92 VanDerWaalsContact C-N 3.3Å; F90-R92 PolarHBondContact O-N 3.49Å; R92-W95 PolarHBondContact O-N 3.36Å; R92-T96 WeakPolarHBondContact O-CG2 3.34Å; R92-T96 PolarHBondContact O-N 2.86Å; R92-T96 PolarHBondContact O-OG1 3.16Å; R92-E113 IonicContact CZ-OE1 2.68Å; R92-E113 IonicContact CZ-OE2 2.65Å; R92-E113 IonicContact NH1-OE1 2.78Å; R92-E113 IonicContact NH1-OE2 2.61Å; R92-E113 PolarHBondContact NH1-OE2 3.01Å; R92-E113 IonicContact NH2-OE1 2.65Å; R92-E113 PolarHBondContact NH2-OE1 2.96Å; R92-E113 IonicContact NH2-OE2 2.61Å; R92-E113 PolarHBondContact NH2-OE2 2.89Å; R92-E113 VanDerWaalsContact NH2-OE2 3.16Å; R92-F116 HydrophobicContact CB-CE2 4.24Å; R92-F116 HydrophobicContact CB-CZ 3.88Å
93M91.7Very high85.5Confident25 Ų2558 Ų5812%0.12328%0.282CS..Hα-helixtrans-57.6-49.3171.4-172.4-130.667.500110.7L35 N38 L39 E89 F90 W95 T96 L97L35-M93 HydrophobicContact CD1-CE 4.03Å; N38-M93 HydrophobicContact CB-CG 4.41Å; N38-M93 HydrophobicContact CB-SD 3.56Å; N38-M93 VanDerWaalsContact CB-SD 3.56Å; L39-M93 HydrophobicContact CD2-CE 3.92Å; L39-M93 HydrophobicContact CD2-SD 4.37Å; L39-M93 HydrophobicContact CG-CE 4.44Å; E89-M93 PolarHBondContact O-N 2.69Å; F90-M93 PolarHBondContact O-N 3.44Å; M93-W95 PolarHBondContact O-N 3.37Å; M93-T96 PolarHBondContact O-N 3.46Å; M93-T96 PolarHBondContact O-OG1 3.05Å; M93-L97 HydrophobicContact CE-CD1 4.11Å
94C91.1Very high85Confident0 Ų055.3 Ų55.30%027%0.27CS..Hα-helixtrans-60.8-47177.6-62.10000111.8A11 A15 F90 N91 T96 L97 C98 W119A11-C94 HydrophobicContact CB-CB 3.98Å; A15-C94 HydrophobicContact CB-CB 4.42Å; F90-C94 PolarHBondContact O-N 3Å; F90-C94 VanDerWaalsContact O-N 3.15Å; F90-C94 PolarHBondContact O-SG 2.91Å; F90-C94 VanDerWaalsContact O-SG 3.33Å; N91-C94 PolarHBondContact O-N 2.84Å; C94-T96 PolarHBondContact O-N 3.5Å; C94-L97 PolarHBondContact O-N 3.26Å; C94-C98 PolarHBondContact O-N 3.41Å; C94-C98 PolarHBondContact O-SG 2.79Å; C94-C98 VanDerWaalsContact O-SG 3.4Å; C94-W119 HydrophobicContact CB-CH2 3.71Å; C94-W119 HydrophobicContact CB-CZ3 4.45Å
95W91.8Very high84.2Confident4 Ų462 Ų622%0.01530%0.295CS..Hα-helixtrans-55.3-47.1177.6175.5-108000113.1N91 R92 M93 L97 C98 V99 E112 A115 F116 W119 W176 I179N91-W95 WeakPolarHBondContact O-CB 3.16Å; N91-W95 PolarHBondContact O-N 2.97Å; R92-W95 PolarHBondContact O-N 3.36Å; M93-W95 PolarHBondContact O-N 3.37Å; W95-L97 PolarHBondContact O-N 2.65Å; W95-L97 VanDerWaalsContact O-N 3.11Å; W95-C98 PolarHBondContact O-N 2.69Å; W95-C98 PolarHBondContact O-SG 3.25Å; W95-V99 HydrophobicContact CD2-CB 3.86Å; W95-V99 HydrophobicContact CD2-CG2 4.28Å; W95-V99 HydrophobicContact CE3-CB 4.25Å; W95-V99 HydrophobicContact CG-CB 4.37Å; W95-V99 HydrophobicContact CH2-CB 4.23Å; W95-V99 HydrophobicContact CH2-CG2 3.78Å; W95-V99 HydrophobicContact CZ2-CB 3.83Å; W95-V99 HydrophobicContact CZ2-CG2 3.28Å; W95-V99 HydrophobicContact CZ3-CB 4.4Å; W95-V99 HydrophobicContact CZ3-CG2 4.42Å; W95-V99 WeakPolarHBondContact O-CB 3.42Å; W95-V99 VanDerWaalsContact O-CG1 3.31Å; W95-V99 WeakPolarHBondContact O-CG1 3.43Å; W95-V99 PolarHBondContact O-N 3.36Å; W95-E112 HydrophobicContact CZ2-CG 4.39Å; W95-A115 HydrophobicContact CH2-CB 4Å; W95-A115 HydrophobicContact CZ2-CB 4.07Å; W95-F116 HydrophobicContact CB-CD2 3.61Å; W95-F116 HydrophobicContact CB-CE2 3.8Å; W95-F116 AromaticContact CD1-CD2 3.79Å; W95-F116 HydrophobicContact CD2-CB 4.17Å; W95-F116 AromaticContact CD2-CD2 3.82Å; W95-F116 HydrophobicContact CD2-CD2 3.82Å; W95-F116 HydrophobicContact CD2-CG 4.47Å; W95-F116 HydrophobicContact CE3-CD2 4.44Å; W95-F116 HydrophobicContact CG-CB 4.36Å; W95-F116 AromaticContact CG-CD2 3.45Å; W95-F116 HydrophobicContact CG-CD2 3.45Å; W95-F116 VanDerWaalsContact CG-CD2 3.45Å; W95-F116 HydrophobicContact CG-CE2 4.16Å; W95-F116 HydrophobicContact CG-CG 4.26Å; W95-F116 HydrophobicContact CZ2-CB 4.11Å; W95-W119 HydrophobicContact CB-CE3 4.24Å; W95-W119 HydrophobicContact CB-CZ3 4.17Å; W95-W119 HydrophobicContact CE3-CB 3.73Å; W95-W119 AromaticContact CE3-CD2 3.62Å; W95-W119 HydrophobicContact CE3-CD2 3.62Å; W95-W119 AromaticContact CE3-CE3 3.94Å; W95-W119 HydrophobicContact CE3-CE3 3.94Å; W95-W119 AromaticContact CE3-CG 3.5Å; W95-W119 HydrophobicContact CE3-CG 3.5Å; W95-W119 VanDerWaalsContact CE3-CG 3.5Å; W95-W119 HydrophobicContact CH2-CB 4.22Å; W95-W119 HydrophobicContact CZ3-CB 3.4Å; W95-W119 AromaticContact CZ3-CD1 3.8Å; W95-W119 HydrophobicContact CZ3-CD2 4.12Å; W95-W119 AromaticContact CZ3-CG 3.46Å; W95-W119 HydrophobicContact CZ3-CG 3.46Å; W95-W119 VanDerWaalsContact CZ3-CG 3.46Å; W95-W176 HydrophobicContact CE3-CH2 4.2Å; W95-W176 HydrophobicContact CE3-CZ3 4.37Å; W95-W176 AromaticContact CH2-CZ3 3.94Å; W95-W176 HydrophobicContact CH2-CZ3 3.94Å; W95-W176 AromaticContact CZ3-CH2 3.74Å; W95-W176 HydrophobicContact CZ3-CH2 3.74Å; W95-W176 AromaticContact CZ3-CZ3 3.5Å; W95-W176 HydrophobicContact CZ3-CZ3 3.5Å; W95-W176 VanDerWaalsContact CZ3-CZ3 3.5Å; W95-I179 HydrophobicContact CH2-CD1 4.06Å; W95-I179 HydrophobicContact CZ3-CD1 4.13Å
96T89Confident83.4Confident74 Ų7466 Ų6645%0.45432%0.317SS..Hα-helixtrans-62.3-21-17858.10000114.2R92 M93 C94R92-T96 WeakPolarHBondContact O-CG2 3.34Å; R92-T96 PolarHBondContact O-N 2.86Å; R92-T96 PolarHBondContact O-OG1 3.16Å; M93-T96 PolarHBondContact O-N 3.46Å; M93-T96 PolarHBondContact O-OG1 3.05Å; C94-T96 PolarHBondContact O-N 3.5Å
97L86.1Confident82.9Confident57 Ų5768.5 Ų68.530%0.29834%0.338SS..Hα-helixtrans-82-35.7174.9-62.5172.3000112.3A15 L35 M93 C94 W95A15-L97 HydrophobicContact CB-CB 4.48Å; A15-L97 HydrophobicContact CB-CD1 3.94Å; L35-L97 HydrophobicContact CD1-CD1 3.83Å; M93-L97 HydrophobicContact CE-CD1 4.11Å; C94-L97 PolarHBondContact O-N 3.26Å; W95-L97 PolarHBondContact O-N 2.65Å; W95-L97 VanDerWaalsContact O-N 3.11Å
98C87.5Confident82.7Confident0 Ų065.9 Ų65.90%033%0.328CS..Hα-helixtrans-98.5-32-174.459.80000115.7A18 C94 W95 K100 K101 N102 W176A18-C98 HydrophobicContact CB-CB 3.68Å; C94-C98 PolarHBondContact O-N 3.41Å; C94-C98 PolarHBondContact O-SG 2.79Å; C94-C98 VanDerWaalsContact O-SG 3.4Å; W95-C98 PolarHBondContact O-N 2.69Å; W95-C98 PolarHBondContact O-SG 3.25Å; C98-K100 VanDerWaalsContact C-N 3.33Å; C98-K100 PolarHBondContact O-N 3.32Å; C98-K101 PolarHBondContact O-N 2.74Å; C98-N102 PolarHBondContact O-N 3.15Å; C98-N102 PolarHBondContact O-ND2 3.35Å; C98-W176 HydrophobicContact CB-CH2 4.11Å; C98-W176 HydrophobicContact CB-CZ2 4Å
99V84.9Confident82.4Confident6 Ų666.8 Ų66.84%0.03633%0.333CS..Hα-helixtrans-56.7-44.1-174.165.20000112.7W95 K101 N102 L103 E112W95-V99 HydrophobicContact CD2-CB 3.86Å; W95-V99 HydrophobicContact CD2-CG2 4.28Å; W95-V99 HydrophobicContact CE3-CB 4.25Å; W95-V99 HydrophobicContact CG-CB 4.37Å; W95-V99 HydrophobicContact CH2-CB 4.23Å; W95-V99 HydrophobicContact CH2-CG2 3.78Å; W95-V99 HydrophobicContact CZ2-CB 3.83Å; W95-V99 HydrophobicContact CZ2-CG2 3.28Å; W95-V99 HydrophobicContact CZ3-CB 4.4Å; W95-V99 HydrophobicContact CZ3-CG2 4.42Å; W95-V99 WeakPolarHBondContact O-CB 3.42Å; W95-V99 VanDerWaalsContact O-CG1 3.31Å; W95-V99 WeakPolarHBondContact O-CG1 3.43Å; W95-V99 PolarHBondContact O-N 3.36Å; V99-K101 PolarHBondContact O-N 2.96Å; V99-K101 VanDerWaalsContact O-N 3.1Å; V99-N102 PolarHBondContact O-N 3.36Å; V99-L103 HydrophobicContact CG2-CB 4.01Å; V99-L103 HydrophobicContact CG2-CD2 3.98Å; V99-L103 WeakPolarHBondContact O-CB 3.47Å; V99-L103 PolarHBondContact O-N 2.95Å; V99-E112 HydrophobicContact CG2-CG 4.48Å
100K77.6Confident82.4Confident184 Ų18461.8 Ų61.880%0.831%0.309SS*.Hα-helixtrans-66-15.3-173.9-65.7-176.5179176.90114.8C98C98-K100 VanDerWaalsContact C-N 3.33Å; C98-K100 PolarHBondContact O-N 3.32Å
101K74.9Confident82.3Confident110 Ų11064.2 Ų64.248%0.47833%0.325SS..Hα-helixtrans-100.3-33178.7-69.9-168.5171.3-169.50113A18 C98 V99A18-K101 WeakPolarHBondContact O-CD 3.45Å; A18-K101 VanDerWaalsContact O-CE 3.24Å; A18-K101 WeakPolarHBondContact O-CE 3.32Å; A18-K101 PolarHBondContact O-NZ 3.1Å; C98-K101 PolarHBondContact O-N 2.74Å; V99-K101 PolarHBondContact O-N 2.96Å; V99-K101 VanDerWaalsContact O-N 3.1Å
102N74.2Confident82.2Confident58 Ų5868.9 Ų68.931%0.3135%0.346SS..Hα-helixtrans-113.6-19.7-162.7-55.3-21.5000113.9C98 V99 T104 W176C98-N102 PolarHBondContact O-N 3.15Å; C98-N102 PolarHBondContact O-ND2 3.35Å; V99-N102 PolarHBondContact O-N 3.36Å; N102-T104 PolarHBondContact O-N 3.38Å; N102-W176 HydrophobicContact CB-CD2 3.41Å; N102-W176 VanDerWaalsContact CB-CD2 3.41Å; N102-W176 HydrophobicContact CB-CE3 3.76Å; N102-W176 HydrophobicContact CB-CG 3.89Å; N102-W176 HydrophobicContact CB-CH2 4.07Å; N102-W176 HydrophobicContact CB-CZ2 3.73Å; N102-W176 HydrophobicContact CB-CZ3 4.07Å; N102-W176 VanDerWaalsContact ND2-CE2 3.3Å; N102-W176 WeakPolarHBondContact ND2-CZ2 3.02Å; N102-W176 PolarHBondContact ND2-NE1 2.77Å
103L74.9Confident82.1Confident54 Ų5468.1 Ų68.128%0.28335%0.346SS..SBendtrans-77.2119.4174.8-164.572.4000109.3V99 L108 I179V99-L103 HydrophobicContact CG2-CB 4.01Å; V99-L103 HydrophobicContact CG2-CD2 3.98Å; V99-L103 WeakPolarHBondContact O-CB 3.47Å; V99-L103 PolarHBondContact O-N 2.95Å; L103-L108 HydrophobicContact CD1-CD1 4.5Å; L103-I179 HydrophobicContact CD1-CG2 3.74Å
104T64.8Low82.2Confident55 Ų5567 Ų6734%0.33734%0.341SS..  trans-67.6152.4-179.958.20000111.4N102 N106 E180N102-T104 PolarHBondContact O-N 3.38Å; T104-N106 PolarHBondContact O-N 3.42Å; T104-N106 VanDerWaalsContact O-N 3.07Å; T104-E180 WeakPolarHBondContact CB-OE1 3.44Å; T104-E180 WeakPolarHBondContact CG2-OE1 3.24Å; T104-E180 PolarHBondContact OG1-OE1 2.9Å
105K64.1Low82.3Confident214 Ų21467 Ų6793%0.9334%0.341SS*.SBendtrans-76.713.8-178.9-63.2-177.6-179.7176.30113.7
106N69.4Low82.5Confident101 Ų10166.9 Ų66.954%0.5434%0.34SS..SBendtrans-77.8144.5-177.4-67.9-28000110.4T104 L108T104-N106 PolarHBondContact O-N 3.42Å; T104-N106 VanDerWaalsContact O-N 3.07Å; N106-L108 VanDerWaalsContact C-N 3.35Å; N106-L108 PolarHBondContact O-N 2.87Å
107P74.4Confident82.8Confident131 Ų13164.5 Ų64.585%0.85132%0.324SS*.  trans-74.785.4179.130.8-34.8000111.1
108L83.2Confident83.2Confident27 Ų2761.9 Ų61.914%0.14131%0.31CS..  trans-69.3153.4171.6-56.4-179.8000111.3L103 N106 I110 I179L103-L108 HydrophobicContact CD1-CD1 4.5Å; N106-L108 VanDerWaalsContact C-N 3.35Å; N106-L108 PolarHBondContact O-N 2.87Å; L108-I110 VanDerWaalsContact C-N 3.29Å; L108-I110 HydrophobicContact CB-CG1 4.04Å; L108-I110 HydrophobicContact CD1-CD1 4.42Å; L108-I110 HydrophobicContact CD1-CG1 4.32Å; L108-I110 PolarHBondContact O-N 2.89Å; L108-I179 HydrophobicContact CD1-CG2 4.15Å
109L84.1Confident83.6Confident75 Ų7561.9 Ų61.939%0.39331%0.31SS..SBendtrans-64.4-33.2174.4-71165000112.5G183 R193L109-G183 WeakPolarHBondContact CB-O 3.35Å; L109-G183 PolarHBondContact N-O 3.42Å; L109-R193 VanDerWaalsContact O-CD 3.29Å; L109-R193 WeakPolarHBondContact O-CD 3.25Å; L109-R193 VanDerWaalsContact O-CG 3.24Å; L109-R193 WeakPolarHBondContact O-CG 3.47Å; L109-R193 PolarHBondContact O-NE 3.36Å
110I89.4Confident84.1Confident9 Ų962 Ų625%0.04631%0.31CS..SBendtrans-80165-17559.4178.2000112.7L108 D114 A115 I179 I182 R193 V196 I200L108-I110 VanDerWaalsContact C-N 3.29Å; L108-I110 HydrophobicContact CB-CG1 4.04Å; L108-I110 HydrophobicContact CD1-CD1 4.42Å; L108-I110 HydrophobicContact CD1-CG1 4.32Å; L108-I110 PolarHBondContact O-N 2.89Å; I110-D114 HydrophobicContact CB-CB 3.94Å; I110-D114 HydrophobicContact CG2-CB 4.48Å; I110-A115 HydrophobicContact CD1-CB 4.14Å; I110-I179 HydrophobicContact CD1-CG2 3.99Å; I110-I182 HydrophobicContact CG2-CG2 4.31Å; I110-R193 PolarHBondContact O-NH2 3.35Å; I110-V196 HydrophobicContact CG2-CG1 3.87Å; I110-I200 HydrophobicContact CG2-CD1 3.66Å
111T90.6Very high84.9Confident53 Ų5353.3 Ų53.333%0.32527%0.273SS..  trans-88.5168.717068.50000111.7E113 D114 A115T111-E113 PolarHBondContact O-N 3.44Å; T111-E113 PolarHBondContact OG1-N 3.31Å; T111-D114 VanDerWaalsContact CB-OD2 3.32Å; T111-D114 WeakPolarHBondContact CB-OD2 2.99Å; T111-D114 WeakPolarHBondContact CG2-OD2 3.4Å; T111-D114 PolarHBondContact N-OD2 3.34Å; T111-D114 PolarHBondContact O-N 3.48Å; T111-D114 PolarHBondContact OG1-N 2.91Å; T111-D114 PolarHBondContact OG1-OD2 3.48Å; T111-A115 WeakPolarHBondContact O-CB 3.3Å; T111-A115 PolarHBondContact O-N 2.91Å
112E90.1Very high85.9Confident119 Ų11948 Ų4856%0.55625%0.25SS*.Hα-helixtrans-61.1-33170.7-170-176.2161.600111.9W95 V99 A115 F116W95-E112 HydrophobicContact CZ2-CG 4.39Å; V99-E112 HydrophobicContact CG2-CG 4.48Å; E112-A115 PolarHBondContact O-N 3.01Å; E112-F116 WeakPolarHBondContact O-CB 3.08Å; E112-F116 PolarHBondContact O-N 3.36Å
113E91.3Very high86.8Confident75 Ų7545.8 Ų45.835%0.3524%0.238SC..Hα-helixtrans-72.8-33176.5-176.161.2-158.700112R92 T111 K117R92-E113 IonicContact CZ-OE1 2.68Å; R92-E113 IonicContact CZ-OE2 2.65Å; R92-E113 IonicContact NH1-OE1 2.78Å; R92-E113 IonicContact NH1-OE2 2.61Å; R92-E113 PolarHBondContact NH1-OE2 3.01Å; R92-E113 IonicContact NH2-OE1 2.65Å; R92-E113 PolarHBondContact NH2-OE1 2.96Å; R92-E113 IonicContact NH2-OE2 2.61Å; R92-E113 PolarHBondContact NH2-OE2 2.89Å; R92-E113 VanDerWaalsContact NH2-OE2 3.16Å; T111-E113 PolarHBondContact O-N 3.44Å; T111-E113 PolarHBondContact OG1-N 3.31Å; E113-K117 WeakPolarHBondContact O-CG 3.46Å; E113-K117 PolarHBondContact O-N 3.43Å; E113-K117 VanDerWaalsContact O-N 3.12Å
114D93.3Very high87.6Confident1 Ų144.3 Ų44.31%0.00523%0.229CC..Hα-helixtrans-71.2-40.1170.5-58.5-51.6000111.2I110 T111 F116 K117 V118 S197 I200I110-D114 HydrophobicContact CB-CB 3.94Å; I110-D114 HydrophobicContact CG2-CB 4.48Å; T111-D114 VanDerWaalsContact CB-OD2 3.32Å; T111-D114 WeakPolarHBondContact CB-OD2 2.99Å; T111-D114 WeakPolarHBondContact CG2-OD2 3.4Å; T111-D114 PolarHBondContact N-OD2 3.34Å; T111-D114 PolarHBondContact O-N 3.48Å; T111-D114 PolarHBondContact OG1-N 2.91Å; T111-D114 PolarHBondContact OG1-OD2 3.48Å; D114-F116 VanDerWaalsContact C-N 3.3Å; D114-F116 PolarHBondContact O-N 3.15Å; D114-K117 WeakPolarHBondContact O-CB 3.18Å; D114-K117 PolarHBondContact O-N 3.33Å; D114-K117 VanDerWaalsContact O-N 3.14Å; D114-K117 IonicContact OD1-NZ 2.72Å; D114-V118 WeakPolarHBondContact O-CG2 3.32Å; D114-V118 PolarHBondContact O-N 2.89Å; D114-S197 WeakPolarHBondContact OD1-CB 3.3Å; D114-S197 PolarHBondContact OD1-OG 3.16Å; D114-S197 PolarHBondContact OD2-OG 2.83Å; D114-I200 HydrophobicContact CB-CD1 4.08Å; D114-I200 HydrophobicContact CB-CG2 4.32Å
115A93.6Very high88.9Confident1 Ų141.7 Ų41.71%0.00821%0.213CC..Hα-helixtrans-61.7-3817400000111.6W95 I110 T111 E112 V118 W119 I179W95-A115 HydrophobicContact CH2-CB 4Å; W95-A115 HydrophobicContact CZ2-CB 4.07Å; I110-A115 HydrophobicContact CD1-CB 4.14Å; T111-A115 WeakPolarHBondContact O-CB 3.3Å; T111-A115 PolarHBondContact O-N 2.91Å; E112-A115 PolarHBondContact O-N 3.01Å; A115-V118 PolarHBondContact O-N 3.22Å; A115-W119 WeakPolarHBondContact O-CB 3.49Å; A115-W119 PolarHBondContact O-N 3Å; A115-I179 HydrophobicContact CB-CG2 3.86Å
116F94.6Very high90.2Very high1 Ų131.5 Ų31.50%0.00417%0.169CC..Hα-helixtrans-60.3-47.1170171.1-118.7000111.9I88 N91 R92 W95 E112 D114 V118 W119 V120I88-F116 HydrophobicContact CG2-CE1 4.11Å; I88-F116 HydrophobicContact CG2-CZ 4.29Å; N91-F116 HydrophobicContact CB-CE2 4.05Å; N91-F116 HydrophobicContact CB-CZ 4.05Å; R92-F116 HydrophobicContact CB-CE2 4.24Å; R92-F116 HydrophobicContact CB-CZ 3.88Å; W95-F116 HydrophobicContact CB-CD2 3.61Å; W95-F116 HydrophobicContact CB-CE2 3.8Å; W95-F116 AromaticContact CD1-CD2 3.79Å; W95-F116 HydrophobicContact CD2-CB 4.17Å; W95-F116 AromaticContact CD2-CD2 3.82Å; W95-F116 HydrophobicContact CD2-CD2 3.82Å; W95-F116 HydrophobicContact CD2-CG 4.47Å; W95-F116 HydrophobicContact CE3-CD2 4.44Å; W95-F116 HydrophobicContact CG-CB 4.36Å; W95-F116 AromaticContact CG-CD2 3.45Å; W95-F116 HydrophobicContact CG-CD2 3.45Å; W95-F116 VanDerWaalsContact CG-CD2 3.45Å; W95-F116 HydrophobicContact CG-CE2 4.16Å; W95-F116 HydrophobicContact CG-CG 4.26Å; W95-F116 HydrophobicContact CZ2-CB 4.11Å; E112-F116 WeakPolarHBondContact O-CB 3.08Å; E112-F116 PolarHBondContact O-N 3.36Å; D114-F116 VanDerWaalsContact C-N 3.3Å; D114-F116 PolarHBondContact O-N 3.15Å; F116-V118 PolarHBondContact O-N 3.36Å; F116-W119 HydrophobicContact CD2-CE3 4.2Å; F116-W119 HydrophobicContact CE2-CE3 4.21Å; F116-W119 HydrophobicContact CE2-CZ3 4.34Å; F116-W119 WeakPolarHBondContact O-CB 3.49Å; F116-W119 PolarHBondContact O-N 3.36Å; F116-V120 HydrophobicContact CD2-CG2 4.09Å; F116-V120 HydrophobicContact CE2-CG2 3.6Å; F116-V120 HydrophobicContact CZ-CG2 3.85Å; F116-V120 WeakPolarHBondContact O-CG2 3.22Å; F116-V120 PolarHBondContact O-N 3.13Å
117K95.4Very high91Very high23 Ų2328.7 Ų28.710%0.115%0.153CC..Hα-helixtrans-60-45.5176-68.4168.9-161.2171.60111.8E113 D114 W119 V120 I121 I200 N201 F204E113-K117 WeakPolarHBondContact O-CG 3.46Å; E113-K117 PolarHBondContact O-N 3.43Å; E113-K117 VanDerWaalsContact O-N 3.12Å; D114-K117 WeakPolarHBondContact O-CB 3.18Å; D114-K117 PolarHBondContact O-N 3.33Å; D114-K117 VanDerWaalsContact O-N 3.14Å; D114-K117 IonicContact OD1-NZ 2.72Å; K117-W119 VanDerWaalsContact C-N 3.32Å; K117-W119 PolarHBondContact O-N 2.81Å; K117-V120 PolarHBondContact O-N 2.89Å; K117-I121 WeakPolarHBondContact O-CD1 3.31Å; K117-I121 VanDerWaalsContact O-CG1 3.27Å; K117-I121 WeakPolarHBondContact O-CG1 3.37Å; K117-I121 PolarHBondContact O-N 3.5Å; K117-I200 HydrophobicContact CB-CG2 3.78Å; K117-I200 HydrophobicContact CD-CG2 4.13Å; K117-N201 PolarHBondContact NZ-OD1 3.24Å; K117-F204 HydrophobicContact CB-CB 4.19Å; K117-F204 HydrophobicContact CB-CD2 3.63Å; K117-F204 HydrophobicContact CB-CE2 4.21Å; K117-F204 HydrophobicContact CB-CG 4Å; K117-F204 HydrophobicContact CD-CB 4.35Å; K117-F204 HydrophobicContact CD-CD1 4.49Å; K117-F204 HydrophobicContact CD-CG 4.27Å; K117-F204 HydrophobicContact CG-CB 4.3Å; K117-F204 HydrophobicContact CG-CD1 4.22Å; K117-F204 HydrophobicContact CG-CD2 3.75Å; K117-F204 HydrophobicContact CG-CE1 4.5Å; K117-F204 HydrophobicContact CG-CE2 4.06Å; K117-F204 HydrophobicContact CG-CG 3.83Å; K117-F204 HydrophobicContact CG-CZ 4.43Å
118V95.4Very high91.5Very high2 Ų225.8 Ų25.81%0.01213%0.13CC..Hα-helixtrans-60.5-40.1175.3172.30000111.2D114 A115 F116 I121 F122 L178 I179 I182 I200D114-V118 WeakPolarHBondContact O-CG2 3.32Å; D114-V118 PolarHBondContact O-N 2.89Å; A115-V118 PolarHBondContact O-N 3.22Å; F116-V118 PolarHBondContact O-N 3.36Å; V118-I121 PolarHBondContact O-N 3.15Å; V118-F122 PolarHBondContact O-N 3.32Å; V118-L178 HydrophobicContact CG1-CD2 4.2Å; V118-L178 HydrophobicContact CG1-CG 4.24Å; V118-I179 HydrophobicContact CB-CG1 4.18Å; V118-I179 HydrophobicContact CG1-CG1 3.69Å; V118-I182 HydrophobicContact CG1-CD1 3.81Å; V118-I182 HydrophobicContact CG2-CD1 4.11Å; V118-I200 HydrophobicContact CG2-CD1 4.08Å; V118-I200 HydrophobicContact CG2-CG1 4.34Å; V118-I200 HydrophobicContact CG2-CG2 4.01Å
119W95.3Very high91.4Very high0 Ų032.4 Ų32.40%016%0.158CC..Hα-helixtrans-64.6-40.1175.9-179.580.2000113.1A11 H14 N91 C94 W95 A115 F116 K117 F122 N123 I179A11-W119 HydrophobicContact CB-CH2 3.85Å; H14-W119 HydrophobicContact CB-CZ2 3.75Å; H14-W119 AromaticContact CD2-CE2 3.81Å; H14-W119 AromaticContact CD2-CZ2 3.68Å; H14-W119 AromaticContact CD2-NE1 3.42Å; H14-W119 PolarHBondContact CD2-NE1 3.3Å; H14-W119 AromaticContact CG-CZ2 3.94Å; H14-W119 AromaticContact CG-NE1 3.71Å; H14-W119 AromaticContact NE2-NE1 3.69Å; N91-W119 HydrophobicContact CB-CZ3 4.09Å; N91-W119 WeakPolarHBondContact O-CZ3 3.26Å; N91-W119 WeakPolarHBondContact OD1-CZ3 3.22Å; C94-W119 HydrophobicContact CB-CH2 3.71Å; C94-W119 HydrophobicContact CB-CZ3 4.45Å; W95-W119 HydrophobicContact CB-CE3 4.24Å; W95-W119 HydrophobicContact CB-CZ3 4.17Å; W95-W119 HydrophobicContact CE3-CB 3.73Å; W95-W119 AromaticContact CE3-CD2 3.62Å; W95-W119 HydrophobicContact CE3-CD2 3.62Å; W95-W119 AromaticContact CE3-CE3 3.94Å; W95-W119 HydrophobicContact CE3-CE3 3.94Å; W95-W119 AromaticContact CE3-CG 3.5Å; W95-W119 HydrophobicContact CE3-CG 3.5Å; W95-W119 VanDerWaalsContact CE3-CG 3.5Å; W95-W119 HydrophobicContact CH2-CB 4.22Å; W95-W119 HydrophobicContact CZ3-CB 3.4Å; W95-W119 AromaticContact CZ3-CD1 3.8Å; W95-W119 HydrophobicContact CZ3-CD2 4.12Å; W95-W119 AromaticContact CZ3-CG 3.46Å; W95-W119 HydrophobicContact CZ3-CG 3.46Å; W95-W119 VanDerWaalsContact CZ3-CG 3.46Å; A115-W119 WeakPolarHBondContact O-CB 3.49Å; A115-W119 PolarHBondContact O-N 3Å; F116-W119 HydrophobicContact CD2-CE3 4.2Å; F116-W119 HydrophobicContact CE2-CE3 4.21Å; F116-W119 HydrophobicContact CE2-CZ3 4.34Å; F116-W119 WeakPolarHBondContact O-CB 3.49Å; F116-W119 PolarHBondContact O-N 3.36Å; K117-W119 VanDerWaalsContact C-N 3.32Å; K117-W119 PolarHBondContact O-N 2.81Å; W119-F122 WeakPolarHBondContact O-CB 3.16Å; W119-F122 PolarHBondContact O-N 2.81Å; W119-N123 WeakPolarHBondContact CH2-ND2 3.35Å; W119-N123 WeakPolarHBondContact CZ2-ND2 3.39Å; W119-N123 VanDerWaalsContact CZ3-ND2 3.31Å; W119-N123 WeakPolarHBondContact CZ3-ND2 3.39Å; W119-N123 PolarHBondContact O-N 3.32Å; W119-I179 HydrophobicContact CB-CD1 4.12Å
120V94.9Very high91.1Very high8 Ų833.6 Ų33.65%0.04816%0.157CC..Hα-helixtrans-70.6-35.5174.6-178.20000111.4N91 F116 K117 F122 N123 F124 F204 I208N91-V120 HydrophobicContact CB-CG2 3.75Å; F116-V120 HydrophobicContact CD2-CG2 4.09Å; F116-V120 HydrophobicContact CE2-CG2 3.6Å; F116-V120 HydrophobicContact CZ-CG2 3.85Å; F116-V120 WeakPolarHBondContact O-CG2 3.22Å; F116-V120 PolarHBondContact O-N 3.13Å; K117-V120 PolarHBondContact O-N 2.89Å; V120-F122 VanDerWaalsContact C-N 3.33Å; V120-N123 PolarHBondContact O-N 2.94Å; V120-F124 PolarHBondContact O-N 2.82Å; V120-F204 HydrophobicContact CB-CE2 4.01Å; V120-F204 HydrophobicContact CG1-CE2 4.12Å; V120-I208 HydrophobicContact CG1-CD1 4.03Å; V120-I208 HydrophobicContact CG1-CG1 4.06Å; V120-I208 HydrophobicContact CG1-CG2 3.71Å
121I95.4Very high90.8Very high2 Ų237.5 Ų37.51%0.0118%0.184CC..Hα-helixtrans-62.9-39.5170.5-67161.9000111K117 V118 F124 L125 L142 V203 F204 L207 I208K117-I121 WeakPolarHBondContact O-CD1 3.31Å; K117-I121 VanDerWaalsContact O-CG1 3.27Å; K117-I121 WeakPolarHBondContact O-CG1 3.37Å; K117-I121 PolarHBondContact O-N 3.5Å; V118-I121 PolarHBondContact O-N 3.15Å; I121-F124 PolarHBondContact O-N 2.65Å; I121-L125 HydrophobicContact CG2-CD1 3.73Å; I121-L125 HydrophobicContact CG2-CG 4.17Å; I121-L125 WeakPolarHBondContact O-CB 3.39Å; I121-L125 WeakPolarHBondContact O-CG 3.21Å; I121-L125 PolarHBondContact O-N 2.72Å; I121-L142 HydrophobicContact CG2-CD1 3.69Å; I121-L142 HydrophobicContact CG2-CD2 3.91Å; I121-L142 HydrophobicContact CG2-CG 4.43Å; I121-V203 HydrophobicContact CD1-CG1 4.19Å; I121-F204 HydrophobicContact CD1-CB 4.08Å; I121-F204 HydrophobicContact CD1-CD2 4.47Å; I121-F204 HydrophobicContact CG1-CD2 4.32Å; I121-L207 HydrophobicContact CG2-CD1 4.11Å; I121-I208 HydrophobicContact CG1-CD1 4.37Å; I121-I208 HydrophobicContact CG1-CG1 4.03Å
122F95.1Very high90.7Very high0 Ų035.4 Ų35.40%017%0.17CC..Hα-helixtrans-60.9-47.8171.8173.1-87.1000111.7H14 V118 W119 V120 F124 L125 S126 L132 I134 L173 A175 L178H14-F122 AromaticContact NE2-CD1 3.93Å; H14-F122 AromaticContact NE2-CE1 3.54Å; V118-F122 PolarHBondContact O-N 3.32Å; W119-F122 WeakPolarHBondContact O-CB 3.16Å; W119-F122 PolarHBondContact O-N 2.81Å; V120-F122 VanDerWaalsContact C-N 3.33Å; F122-F124 PolarHBondContact O-N 2.78Å; F122-L125 PolarHBondContact O-N 2.82Å; F122-S126 WeakPolarHBondContact O-CB 3.44Å; F122-S126 PolarHBondContact O-N 3.35Å; F122-S126 PolarHBondContact O-OG 3.14Å; F122-L132 HydrophobicContact CE1-CB 3.85Å; F122-L132 HydrophobicContact CZ-CB 4.01Å; F122-I134 HydrophobicContact CD2-CB 3.87Å; F122-I134 HydrophobicContact CD2-CG2 3.79Å; F122-I134 HydrophobicContact CE2-CB 3.73Å; F122-I134 HydrophobicContact CE2-CG2 3.69Å; F122-L173 WeakPolarHBondContact CE2-O 3.42Å; F122-A175 HydrophobicContact CB-CB 4.33Å; F122-A175 HydrophobicContact CD1-CB 3.43Å; F122-A175 VanDerWaalsContact CD1-CB 3.43Å; F122-A175 HydrophobicContact CD2-CB 4.06Å; F122-A175 HydrophobicContact CE1-CB 3.64Å; F122-A175 HydrophobicContact CE2-CB 4.22Å; F122-A175 VanDerWaalsContact CE2-N 3.31Å; F122-A175 HydrophobicContact CG-CB 3.66Å; F122-A175 HydrophobicContact CZ-CB 4.03Å; F122-L178 HydrophobicContact CB-CD2 4.07Å; F122-L178 HydrophobicContact CD2-CD2 4.03Å
123N92.7Very high90.8Very high10 Ų1032.4 Ų32.45%0.05316%0.157CC..Hα-helixtrans-57.2-39.9176.1-69.2-21.5000111.2K10 H14 N91 W119 V120 S126K10-N123 WeakPolarHBondContact CD-O 3.41Å; H14-N123 PolarHBondContact CD2-OD1 2.67Å; N91-N123 PolarHBondContact OD1-ND2 3.37Å; W119-N123 WeakPolarHBondContact CH2-ND2 3.35Å; W119-N123 WeakPolarHBondContact CZ2-ND2 3.39Å; W119-N123 VanDerWaalsContact CZ3-ND2 3.31Å; W119-N123 WeakPolarHBondContact CZ3-ND2 3.39Å; W119-N123 PolarHBondContact O-N 3.32Å; V120-N123 PolarHBondContact O-N 2.94Å; N123-S126 PolarHBondContact O-OG 3.06Å
124F92.1Very high90.8Very high23 Ų2328.8 Ų28.810%0.10114%0.141CC..Hα-helixtrans-67.8-47175.7177.4-106.1000113.3V120 I121 F122 L207 I208 H316 K317 R320V120-F124 PolarHBondContact O-N 2.82Å; I121-F124 PolarHBondContact O-N 2.65Å; F122-F124 PolarHBondContact O-N 2.78Å; F124-L207 HydrophobicContact CD1-CB 4.16Å; F124-L207 HydrophobicContact CE1-CB 4.25Å; F124-L207 HydrophobicContact CE1-CD2 4.41Å; F124-I208 HydrophobicContact CB-CD1 3.46Å; F124-I208 VanDerWaalsContact CB-CD1 3.46Å; F124-I208 HydrophobicContact CD1-CD1 4.4Å; F124-I208 HydrophobicContact CG-CD1 3.91Å; F124-H316 AromaticContact CZ-CD2 3.88Å; F124-K317 HydrophobicContact CE2-CG 3.77Å; F124-K317 HydrophobicContact CZ-CG 3.76Å; F124-R320 WeakPolarHBondContact O-CD 3.24Å; F124-R320 PolarHBondContact O-NE 2.83Å; F124-R320 PolarHBondContact O-NH1 3.27Å; F124-R320 PolarHBondContact O-NH2 2.9Å
125L92.6Very high90.6Very high0 Ų029.8 Ų29.80%015%0.146CC..Hα-helixtrans-82.3-33-172.9-67.7179.7000114.3I121 F122 I134 E138 Y141 L142 L207I121-L125 HydrophobicContact CG2-CD1 3.73Å; I121-L125 HydrophobicContact CG2-CG 4.17Å; I121-L125 WeakPolarHBondContact O-CB 3.39Å; I121-L125 WeakPolarHBondContact O-CG 3.21Å; I121-L125 PolarHBondContact O-N 2.72Å; F122-L125 PolarHBondContact O-N 2.82Å; L125-I134 HydrophobicContact CB-CD1 3.78Å; L125-I134 HydrophobicContact CB-CG1 4.35Å; L125-I134 HydrophobicContact CD1-CD1 4.07Å; L125-E138 HydrophobicContact CB-CB 4.43Å; L125-Y141 HydrophobicContact CD1-CD1 4.5Å; L125-Y141 HydrophobicContact CD2-CD1 4.19Å; L125-Y141 HydrophobicContact CD2-CE1 4.23Å; L125-L142 HydrophobicContact CD1-CB 3.84Å; L125-L142 HydrophobicContact CD1-CD1 4.4Å; L125-L142 HydrophobicContact CD1-CD2 4.16Å; L125-L142 HydrophobicContact CD1-CG 4.36Å; L125-L207 HydrophobicContact CD2-CD1 4.48Å
126S91.3Very high90.4Very high0 Ų030.3 Ų30.30%015%0.15CC..SBendtrans-51.9161.9-177.853.60000114.2K10 F122 N123 I133 R320K10-S126 PolarHBondContact NZ-O 3.37Å; K10-S126 PolarHBondContact NZ-OG 3.32Å; F122-S126 WeakPolarHBondContact O-CB 3.44Å; F122-S126 PolarHBondContact O-N 3.35Å; F122-S126 PolarHBondContact O-OG 3.14Å; N123-S126 PolarHBondContact O-OG 3.06Å; S126-I133 WeakPolarHBondContact CA-O 3.21Å; S126-I133 VanDerWaalsContact CB-O 3.24Å; S126-I133 WeakPolarHBondContact CB-O 3.29Å; S126-R320 PolarHBondContact O-NH2 3.03Å
127E86.8Confident90.2Very high43 Ų4333.3 Ų33.320%0.20116%0.164CC..  trans-72.8166.8169.8-68.3-59.3157.700111.9K10 L132 I133 V135 K324 R327K10-E127 WeakPolarHBondContact CE-O 3.42Å; K10-E127 PolarHBondContact NZ-O 3.27Å; E127-L132 VanDerWaalsContact O-CD2 3.31Å; E127-L132 WeakPolarHBondContact O-CD2 3.42Å; E127-I133 PolarHBondContact N-O 3.23Å; E127-V135 HydrophobicContact CG-CG1 4.18Å; E127-K324 WeakPolarHBondContact OE2-CE 3.33Å; E127-K324 IonicContact OE2-NZ 3.32Å; E127-K324 PolarHBondContact OE2-NZ 3.04Å; E127-R327 IonicContact OE1-CZ 2.72Å; E127-R327 IonicContact OE1-NE 2.92Å; E127-R327 IonicContact OE1-NH2 3.39Å; E127-R327 PolarHBondContact OE1-NH2 2.88Å
128D83.7Confident90Very high69 Ų6932.3 Ų32.337%0.36916%0.16SC..SBendtrans-99.311.4-168.9-42.4-36000113.1K10 W13 R320 K324K10-D128 WeakPolarHBondContact CE-OD1 3.42Å; K10-D128 IonicContact NZ-OD1 3.58Å; K10-D128 PolarHBondContact NZ-OD1 2.9Å; W13-D128 WeakPolarHBondContact CH2-O 3.32Å; D128-R320 IonicContact OD1-NH2 3.31Å; D128-R320 PolarHBondContact OD1-NH2 3.2Å; D128-K324 IonicContact OD1-NZ 2.68Å; D128-K324 IonicContact OD2-NZ 2.82Å; D128-K324 PolarHBondContact OD2-NZ 3.31Å
129K80.7Confident89.9Confident167 Ų16732.2 Ų32.273%0.72616%0.159SC*.SBendtrans-105.6137.1177.7-175.8178.7177.1-175.50109.5P131K129-P131 CarbonylContact O-C 3.51Å; K129-P131 VanDerWaalsContact O-O 3.1Å
130Y79.1Confident89.7Confident99 Ų9934.3 Ų34.339%0.38817%0.169SC..SBendtrans-83.6142.3171-171.4-88.8000110.9W13 T17W13-Y130 HydrophobicContact CB-CD2 3.83Å; W13-Y130 HydrophobicContact CB-CE2 4.07Å; W13-Y130 AromaticContact CD2-CD2 3.89Å; W13-Y130 HydrophobicContact CD2-CD2 3.89Å; W13-Y130 HydrophobicContact CD2-CG 4.35Å; W13-Y130 HydrophobicContact CE3-CD2 4.08Å; W13-Y130 AromaticContact CG-CD2 3.81Å; W13-Y130 HydrophobicContact CG-CD2 3.81Å; W13-Y130 HydrophobicContact CG-CE2 4.45Å; T17-Y130 WeakPolarHBondContact CG2-OH 3.34Å; T17-Y130 PolarHBondContact OG1-OH 2.67Å
131P83.8Confident89.6Confident92 Ų9236 Ų3660%0.59718%0.175SC*.SBendcis-66.4139.6-4.229.6-35.8000112K129 I133K129-P131 CarbonylContact O-C 3.51Å; K129-P131 VanDerWaalsContact O-O 3.1Å; P131-I133 PolarHBondContact O-N 3.1Å
132L88.2Confident89.6Confident8 Ų836 Ų364%0.04218%0.175CC..PPolyproline II helixtrans-66.8128.6-177.2-70.2172.4000111K10 W13 F122 E127K10-L132 HydrophobicContact CB-CD1 3.73Å; K10-L132 HydrophobicContact CB-CD2 4.38Å; K10-L132 HydrophobicContact CD-CD2 4.01Å; K10-L132 HydrophobicContact CG-CD1 4.17Å; K10-L132 HydrophobicContact CG-CD2 3.9Å; W13-L132 HydrophobicContact CE3-CD1 4.11Å; W13-L132 HydrophobicContact CE3-CD2 3.79Å; W13-L132 HydrophobicContact CE3-CG 3.89Å; W13-L132 HydrophobicContact CZ3-CD2 3.82Å; W13-L132 HydrophobicContact CZ3-CG 4.4Å; F122-L132 HydrophobicContact CE1-CB 3.85Å; F122-L132 HydrophobicContact CZ-CB 4.01Å; E127-L132 VanDerWaalsContact O-CD2 3.31Å; E127-L132 WeakPolarHBondContact O-CD2 3.42Å
133I91.2Very high89.5Confident56 Ų5636.2 Ų36.229%0.28718%0.176SC..  trans-134.4151.4174.957.9174.5000111.2S126 E127 P131 L173S126-I133 WeakPolarHBondContact CA-O 3.21Å; S126-I133 VanDerWaalsContact CB-O 3.24Å; S126-I133 WeakPolarHBondContact CB-O 3.29Å; E127-I133 PolarHBondContact N-O 3.23Å; P131-I133 PolarHBondContact O-N 3.1Å; I133-L173 CarbonylContact C-O 3.56Å; I133-L173 VanDerWaalsContact CA-O 3.25Å; I133-L173 WeakPolarHBondContact CA-O 3.38Å
134I90.9Very high89.6Confident0 Ų039.6 Ų39.60%019%0.19CC..BIsolated β-bridgetrans-104.9128.4165-168.9175.9000108.5F122 L125 E138 I139 G172 L173 L178F122-I134 HydrophobicContact CD2-CB 3.87Å; F122-I134 HydrophobicContact CD2-CG2 3.79Å; F122-I134 HydrophobicContact CE2-CB 3.73Å; F122-I134 HydrophobicContact CE2-CG2 3.69Å; L125-I134 HydrophobicContact CB-CD1 3.78Å; L125-I134 HydrophobicContact CB-CG1 4.35Å; L125-I134 HydrophobicContact CD1-CD1 4.07Å; I134-E138 HydrophobicContact CD1-CB 3.98Å; I134-E138 HydrophobicContact CG1-CB 3.62Å; I134-I139 HydrophobicContact CB-CG1 4.4Å; I134-I139 HydrophobicContact CD1-CG1 4.2Å; I134-I139 HydrophobicContact CG1-CG1 4.07Å; I134-I139 HydrophobicContact CG2-CD1 4.03Å; I134-I139 HydrophobicContact CG2-CG1 3.66Å; I134-G172 CarbonylContact O-C 3.54Å; I134-G172 WeakPolarHBondContact O-CA 3.33Å; I134-L173 HydrophobicContact CG2-CB 3.94Å; I134-L173 PolarHBondContact N-O 2.98Å; I134-L173 PolarHBondContact O-N 3.26Å; I134-L178 HydrophobicContact CD1-CD2 4.23Å; I134-L178 HydrophobicContact CG2-CD2 4.38Å
135V90.7Very high89.6Confident21 Ų2140.5 Ų40.513%0.12719%0.194CC..  trans-80.8159.7-178.9-62.20000111.5E127 E137 E138 I139E127-V135 HydrophobicContact CG-CG1 4.18Å; V135-E137 VanDerWaalsContact C-N 3.28Å; V135-E137 PolarHBondContact O-N 2.65Å; V135-E138 HydrophobicContact CG2-CB 4.21Å; V135-E138 HydrophobicContact CG2-CG 3.78Å; V135-E138 PolarHBondContact O-N 3.09Å; V135-I139 WeakPolarHBondContact O-CG1 3.43Å; V135-I139 PolarHBondContact O-N 2.59Å
136S89.3Confident89.7Confident13 Ų1341 Ų419%0.09120%0.197CC..Hα-helixtrans-52.5-39.5-176.6250000113.4E138 I139 E140 F159S136-E138 PolarHBondContact O-N 3.45Å; S136-I139 PolarHBondContact O-N 3.49Å; S136-E140 WeakPolarHBondContact O-CB 3.46Å; S136-E140 PolarHBondContact O-N 2.76Å; S136-F159 WeakPolarHBondContact O-CZ 3.24Å
137E89.1Confident89.7Confident64 Ų6441.6 Ų41.630%0.29920%0.201SC..Hα-helixtrans-70.5-28.2179.7-61.366.4-136.900113.4V135 Y141 K163V135-E137 VanDerWaalsContact C-N 3.28Å; V135-E137 PolarHBondContact O-N 2.65Å; E137-Y141 WeakPolarHBondContact O-CB 3.32Å; E137-Y141 PolarHBondContact O-N 3.37Å; E137-Y141 VanDerWaalsContact O-N 3.12Å; E137-K163 IonicContact OE1-NZ 3.9Å; E137-K163 PolarHBondContact OE1-NZ 2.97Å
138E92.5Very high90Very high1 Ų144.5 Ų44.51%0.00521%0.214CC..Hα-helixtrans-85-28.2175.9-62-62.6153.100111.5L125 I134 V135 S136 L142 R323 R327L125-E138 HydrophobicContact CB-CB 4.43Å; I134-E138 HydrophobicContact CD1-CB 3.98Å; I134-E138 HydrophobicContact CG1-CB 3.62Å; V135-E138 HydrophobicContact CG2-CB 4.21Å; V135-E138 HydrophobicContact CG2-CG 3.78Å; V135-E138 PolarHBondContact O-N 3.09Å; S136-E138 PolarHBondContact O-N 3.45Å; E138-L142 WeakPolarHBondContact O-CB 3.41Å; E138-L142 PolarHBondContact O-N 3.19Å; E138-R323 IonicContact OE1-CZ 2.98Å; E138-R323 IonicContact OE1-NE 2.76Å; E138-R323 PolarHBondContact OE1-NE 3.07Å; E138-R323 IonicContact OE1-NH2 2.65Å; E138-R323 IonicContact OE2-CZ 3.14Å; E138-R323 IonicContact OE2-NE 3.71Å; E138-R323 PolarHBondContact OE2-NE 2.97Å; E138-R323 IonicContact OE2-NH2 3.2Å; E138-R323 PolarHBondContact OE2-NH2 2.8Å; E138-R327 IonicContact OE1-CZ 3.48Å; E138-R327 IonicContact OE1-NH1 2.74Å; E138-R327 PolarHBondContact OE1-NH1 2.9Å; E138-R327 IonicContact OE1-NH2 3.16Å; E138-R327 PolarHBondContact OE1-NH2 3.43Å
139I92.1Very high90.4Very high0 Ų042.8 Ų42.80%021%0.21CC..Hα-helixtrans-64.5-47.9166.9-61.1162.3000109.4I134 V135 S136 Y141 L142 L143 F159 F166 L173 L181I134-I139 HydrophobicContact CB-CG1 4.4Å; I134-I139 HydrophobicContact CD1-CG1 4.2Å; I134-I139 HydrophobicContact CG1-CG1 4.07Å; I134-I139 HydrophobicContact CG2-CD1 4.03Å; I134-I139 HydrophobicContact CG2-CG1 3.66Å; V135-I139 WeakPolarHBondContact O-CG1 3.43Å; V135-I139 PolarHBondContact O-N 2.59Å; S136-I139 PolarHBondContact O-N 3.49Å; I139-Y141 PolarHBondContact O-N 2.83Å; I139-L142 PolarHBondContact O-N 2.81Å; I139-L143 HydrophobicContact CG2-CD1 3.68Å; I139-L143 HydrophobicContact CG2-CG 4.09Å; I139-L143 WeakPolarHBondContact O-CB 3.43Å; I139-L143 WeakPolarHBondContact O-CG 3.2Å; I139-L143 PolarHBondContact O-N 3.05Å; I139-F159 HydrophobicContact CG2-CE2 4.06Å; I139-F166 HydrophobicContact CD1-CZ 4.18Å; I139-L173 HydrophobicContact CD1-CB 4.16Å; I139-L173 HydrophobicContact CD1-CD1 3.54Å; I139-L173 HydrophobicContact CD1-CG 3.67Å; I139-L173 HydrophobicContact CG1-CD1 4.26Å; I139-L181 HydrophobicContact CG2-CD2 4.1Å
140E91.8Very high90.9Very high44 Ų4436.1 Ų36.121%0.20618%0.181CC..Hα-helixtrans-56.6-50.2176.6-165.1-174.2170.900111.1S136 L142 L143 K144 W154 Q156 F159S136-E140 WeakPolarHBondContact O-CB 3.46Å; S136-E140 PolarHBondContact O-N 2.76Å; E140-L142 VanDerWaalsContact C-N 3.33Å; E140-L142 PolarHBondContact O-N 3.48Å; E140-L143 PolarHBondContact O-N 3.03Å; E140-K144 WeakPolarHBondContact O-CB 3.49Å; E140-K144 PolarHBondContact O-N 2.99Å; E140-W154 HydrophobicContact CG-CZ2 3.79Å; E140-Q156 PolarHBondContact OE1-NE2 3.3Å; E140-F159 HydrophobicContact CB-CD1 4.15Å; E140-F159 HydrophobicContact CB-CE1 3.53Å; E140-F159 HydrophobicContact CB-CE2 4.3Å; E140-F159 HydrophobicContact CB-CZ 3.62Å; E140-F159 HydrophobicContact CG-CD1 3.71Å; E140-F159 HydrophobicContact CG-CE1 3.61Å; E140-F159 HydrophobicContact CG-CG 4.31Å; E140-F159 HydrophobicContact CG-CZ 4.13Å
141Y93.4Very high91.2Very high44 Ų4434.9 Ų34.917%0.17320%0.198CC..Hα-helixtrans-56.3-44.8176.6174.1-103000112.5L125 E137 I139 K145 L207 R323L125-Y141 HydrophobicContact CD1-CD1 4.5Å; L125-Y141 HydrophobicContact CD2-CD1 4.19Å; L125-Y141 HydrophobicContact CD2-CE1 4.23Å; E137-Y141 WeakPolarHBondContact O-CB 3.32Å; E137-Y141 PolarHBondContact O-N 3.37Å; E137-Y141 VanDerWaalsContact O-N 3.12Å; I139-Y141 PolarHBondContact O-N 2.83Å; Y141-K145 HydrophobicContact CE1-CG 4.43Å; Y141-K145 HydrophobicContact CE2-CG 4.18Å; Y141-K145 WeakPolarHBondContact O-CB 3.36Å; Y141-K145 WeakPolarHBondContact O-CG 3.41Å; Y141-K145 PolarHBondContact O-N 3.05Å; Y141-L207 HydrophobicContact CE1-CD1 4.39Å; Y141-L207 HydrophobicContact CE1-CD2 4.25Å; Y141-R323 VanDerWaalsContact CE1-NH2 3.35Å
142L95Very high91.2Very high2 Ų232.1 Ų32.11%0.0119%0.186CC..Hα-helixtrans-68-49.4179.3176.556.3000112.3I121 L125 E138 I139 E140 K144 K145 L146 L178 I182 V203I121-L142 HydrophobicContact CG2-CD1 3.69Å; I121-L142 HydrophobicContact CG2-CD2 3.91Å; I121-L142 HydrophobicContact CG2-CG 4.43Å; L125-L142 HydrophobicContact CD1-CB 3.84Å; L125-L142 HydrophobicContact CD1-CD1 4.4Å; L125-L142 HydrophobicContact CD1-CD2 4.16Å; L125-L142 HydrophobicContact CD1-CG 4.36Å; E138-L142 WeakPolarHBondContact O-CB 3.41Å; E138-L142 PolarHBondContact O-N 3.19Å; I139-L142 PolarHBondContact O-N 2.81Å; E140-L142 VanDerWaalsContact C-N 3.33Å; E140-L142 PolarHBondContact O-N 3.48Å; L142-K144 VanDerWaalsContact C-N 3.33Å; L142-K144 PolarHBondContact O-N 3.47Å; L142-K145 WeakPolarHBondContact O-CB 3.43Å; L142-K145 PolarHBondContact O-N 3.33Å; L142-L146 HydrophobicContact CD1-CD1 4.02Å; L142-L146 HydrophobicContact CD1-CG 4.16Å; L142-L146 HydrophobicContact CG-CD1 4.04Å; L142-L146 WeakPolarHBondContact O-CG 3.14Å; L142-L146 PolarHBondContact O-N 2.98Å; L142-L178 HydrophobicContact CD2-CD1 4.25Å; L142-L178 HydrophobicContact CD2-CD2 3.83Å; L142-L178 HydrophobicContact CD2-CG 4.47Å; L142-I182 HydrophobicContact CD2-CD1 4.23Å; L142-V203 HydrophobicContact CD1-CG1 3.86Å
143L93.4Very high91Very high4 Ų434.6 Ų34.62%0.02121%0.214CC..Hα-helixtrans-61.5-43.8-180-69.6175.9000110.6I139 E140 K145 L146 T147 W154 F159 L181 I182 F187I139-L143 HydrophobicContact CG2-CD1 3.68Å; I139-L143 HydrophobicContact CG2-CG 4.09Å; I139-L143 WeakPolarHBondContact O-CB 3.43Å; I139-L143 WeakPolarHBondContact O-CG 3.2Å; I139-L143 PolarHBondContact O-N 3.05Å; E140-L143 PolarHBondContact O-N 3.03Å; L143-K145 PolarHBondContact O-N 3.14Å; L143-L146 PolarHBondContact O-N 3.08Å; L143-T147 PolarHBondContact O-N 3.49Å; L143-T147 PolarHBondContact O-OG1 3.13Å; L143-T147 VanDerWaalsContact O-OG1 3.09Å; L143-W154 HydrophobicContact CB-CH2 3.72Å; L143-W154 HydrophobicContact CB-CZ3 3.67Å; L143-F159 HydrophobicContact CD1-CD2 3.99Å; L143-F159 HydrophobicContact CD1-CE2 3.95Å; L143-L181 HydrophobicContact CD1-CD2 4.24Å; L143-I182 HydrophobicContact CD2-CG1 4.16Å; L143-F187 HydrophobicContact CD1-CD1 4.4Å; L143-F187 HydrophobicContact CD1-CD2 3.64Å; L143-F187 HydrophobicContact CD1-CE1 4.37Å; L143-F187 HydrophobicContact CD1-CE2 3.62Å; L143-F187 HydrophobicContact CD1-CG 4.06Å; L143-F187 HydrophobicContact CD1-CZ 3.99Å; L143-F187 HydrophobicContact CD2-CB 4.31Å; L143-F187 HydrophobicContact CD2-CD2 3.95Å; L143-F187 HydrophobicContact CD2-CG 4.27Å; L143-F187 HydrophobicContact CG-CD2 4.41Å
144K93.3Very high90.9Very high81 Ų8134.3 Ų34.335%0.35221%0.209SC..Hα-helixtrans-60-45.4175.1-177.8169.7-178.7170.80112.3E140 L142 L146 T147 E148 W154E140-K144 WeakPolarHBondContact O-CB 3.49Å; E140-K144 PolarHBondContact O-N 2.99Å; L142-K144 VanDerWaalsContact C-N 3.33Å; L142-K144 PolarHBondContact O-N 3.47Å; K144-L146 VanDerWaalsContact C-N 3.32Å; K144-L146 PolarHBondContact O-N 3.41Å; K144-T147 PolarHBondContact O-N 3.17Å; K144-E148 WeakPolarHBondContact CE-OE1 3.42Å; K144-E148 HydrophobicContact CG-CG 4.48Å; K144-E148 WeakPolarHBondContact CG-OE1 3.28Å; K144-E148 WeakPolarHBondContact O-CB 3.16Å; K144-E148 VanDerWaalsContact O-CG 3.32Å; K144-E148 WeakPolarHBondContact O-CG 3.49Å; K144-E148 PolarHBondContact O-N 3.03Å; K144-W154 HydrophobicContact CB-CD2 3.9Å; K144-W154 HydrophobicContact CB-CE3 3.89Å; K144-W154 HydrophobicContact CB-CG 4.43Å; K144-W154 HydrophobicContact CB-CH2 4.5Å; K144-W154 HydrophobicContact CB-CZ3 4.2Å; K144-W154 HydrophobicContact CD-CD2 4.38Å; K144-W154 HydrophobicContact CD-CG 4.16Å; K144-W154 HydrophobicContact CG-CB 4.37Å; K144-W154 HydrophobicContact CG-CD2 4.03Å; K144-W154 HydrophobicContact CG-CE3 4.34Å; K144-W154 HydrophobicContact CG-CG 4.04Å
145K93.7Very high90.6Very high42 Ų4240.2 Ų40.218%0.18324%0.237CC..Hα-helixtrans-59.6-40174-86.3-68.5-161.3163.80112.9Y141 L142 L143 A149 V203 E206Y141-K145 HydrophobicContact CE1-CG 4.43Å; Y141-K145 HydrophobicContact CE2-CG 4.18Å; Y141-K145 WeakPolarHBondContact O-CB 3.36Å; Y141-K145 WeakPolarHBondContact O-CG 3.41Å; Y141-K145 PolarHBondContact O-N 3.05Å; L142-K145 WeakPolarHBondContact O-CB 3.43Å; L142-K145 PolarHBondContact O-N 3.33Å; L143-K145 PolarHBondContact O-N 3.14Å; K145-A149 WeakPolarHBondContact O-CB 3.49Å; K145-A149 PolarHBondContact O-N 3.44Å; K145-V203 HydrophobicContact CB-CG1 4.45Å; K145-V203 HydrophobicContact CB-CG2 4.02Å; K145-E206 WeakPolarHBondContact CE-OE2 3.5Å; K145-E206 IonicContact NZ-OE1 3.08Å; K145-E206 PolarHBondContact NZ-OE1 3.42Å; K145-E206 IonicContact NZ-OE2 2.67Å; K145-E206 PolarHBondContact NZ-OE2 2.88Å
146L93.9Very high90.4Very high12 Ų1242.8 Ų42.86%0.06325%0.248CC..Hα-helixtrans-67.6-43.9175.2-70167.6000111.5L142 L143 K144 A149 M150 I182 A199 I200 V203L142-L146 HydrophobicContact CD1-CD1 4.02Å; L142-L146 HydrophobicContact CD1-CG 4.16Å; L142-L146 HydrophobicContact CG-CD1 4.04Å; L142-L146 WeakPolarHBondContact O-CG 3.14Å; L142-L146 PolarHBondContact O-N 2.98Å; L143-L146 PolarHBondContact O-N 3.08Å; K144-L146 VanDerWaalsContact C-N 3.32Å; K144-L146 PolarHBondContact O-N 3.41Å; L146-A149 PolarHBondContact O-N 2.82Å; L146-M150 VanDerWaalsContact O-CG 3.31Å; L146-M150 WeakPolarHBondContact O-CG 3.3Å; L146-M150 PolarHBondContact O-N 3.4Å; L146-I182 HydrophobicContact CD1-CD1 3.78Å; L146-I182 HydrophobicContact CD1-CG1 4.23Å; L146-A199 HydrophobicContact CD2-CB 4.42Å; L146-I200 HydrophobicContact CD2-CB 4.38Å; L146-I200 HydrophobicContact CD2-CG1 3.75Å; L146-V203 HydrophobicContact CD2-CB 4.22Å; L146-V203 HydrophobicContact CD2-CG2 3.91Å; L146-V203 HydrophobicContact CG-CG2 4.36Å
147T92.2Very high90.2Very high12 Ų1249.8 Ų49.87%0.07428%0.279CS..Hα-helixtrans-62.4-43.4176.2-56.90000111.9L143 K144 M150 G151 G152 G153L143-T147 PolarHBondContact O-N 3.49Å; L143-T147 PolarHBondContact O-OG1 3.13Å; L143-T147 VanDerWaalsContact O-OG1 3.09Å; K144-T147 PolarHBondContact O-N 3.17Å; T147-M150 PolarHBondContact O-N 3.21Å; T147-G151 PolarHBondContact O-N 2.88Å; T147-G152 PolarHBondContact O-N 3.24Å; T147-G153 WeakPolarHBondContact CG2-O 3.27Å
148E91.9Very high90Very high104 Ų10450.2 Ų50.249%0.48628%0.281SS..Hα-helixtrans-60.4-43.7174.3-74.2172.1-173.600111.6K144 G151K144-E148 WeakPolarHBondContact CE-OE1 3.42Å; K144-E148 HydrophobicContact CG-CG 4.48Å; K144-E148 WeakPolarHBondContact CG-OE1 3.28Å; K144-E148 WeakPolarHBondContact O-CB 3.16Å; K144-E148 VanDerWaalsContact O-CG 3.32Å; K144-E148 WeakPolarHBondContact O-CG 3.49Å; K144-E148 PolarHBondContact O-N 3.03Å; E148-G151 PolarHBondContact O-N 3.45Å
149A92Very high89.8Confident33 Ų3350.2 Ų50.227%0.27328%0.281SS..Hα-helixtrans-70.8-27.3177.200000113.8K145 L146 G151 A199 E202 V203K145-A149 WeakPolarHBondContact O-CB 3.49Å; K145-A149 PolarHBondContact O-N 3.44Å; L146-A149 PolarHBondContact O-N 2.82Å; A149-G151 PolarHBondContact O-N 3.31Å; A149-A199 HydrophobicContact CB-CB 3.8Å; A149-E202 HydrophobicContact CB-CB 4.46Å; A149-V203 HydrophobicContact CB-CG2 4.33Å
150M91.4Very high89.5Confident27 Ų2753.9 Ų53.913%0.13330%0.298CS..THydrogen-bonded Turntrans-75.3-4.1168.1-67.5-175.8-65.600112.9L146 T147 G152 M191 T195 V196 A199L146-M150 VanDerWaalsContact O-CG 3.31Å; L146-M150 WeakPolarHBondContact O-CG 3.3Å; L146-M150 PolarHBondContact O-N 3.4Å; T147-M150 PolarHBondContact O-N 3.21Å; M150-G152 VanDerWaalsContact C-N 3.26Å; M150-G152 PolarHBondContact O-N 3.14Å; M150-M191 HydrophobicContact CB-CG 4.5Å; M150-M191 HydrophobicContact CB-SD 4.26Å; M150-M191 HydrophobicContact SD-CB 4.18Å; M150-M191 HydrophobicContact SD-CG 3.8Å; M150-T195 HydrophobicContact CB-CG2 4.11Å; M150-T195 HydrophobicContact CG-CG2 4.04Å; M150-V196 HydrophobicContact SD-CG2 3.85Å; M150-A199 HydrophobicContact CB-CB 4.46Å; M150-A199 HydrophobicContact CG-CB 3.4Å; M150-A199 VanDerWaalsContact CG-CB 3.4Å
151G86.7Confident89.2Confident72 Ų7258 Ų5874%0.74232%0.317SS*.THydrogen-bonded Turntrans7314.7-175.100000114.3T147 E148 A149T147-G151 PolarHBondContact O-N 2.88Å; E148-G151 PolarHBondContact O-N 3.45Å; A149-G151 PolarHBondContact O-N 3.31Å
152G83.7Confident88.7Confident34 Ų3458.2 Ų58.235%0.35132%0.318SS..PPolyproline II helixtrans-85.8162.9178.900000113.5T147 M150T147-G152 PolarHBondContact O-N 3.24Å; M150-G152 VanDerWaalsContact C-N 3.26Å; M150-G152 PolarHBondContact O-N 3.14Å
153G83.8Confident88.2Confident60 Ų6060.2 Ų60.262%0.61933%0.326SS*.PPolyproline II helixtrans-85.3133.9167.200000111.3T147T147-G153 WeakPolarHBondContact CG2-O 3.27Å
154W89.2Confident87.5Confident50 Ų5065.2 Ų65.219%0.18935%0.352CS..PPolyproline II helixtrans-67.1132.2175.4179.6-114.5000111.7E140 L143 K144 F159E140-W154 HydrophobicContact CG-CZ2 3.79Å; L143-W154 HydrophobicContact CB-CH2 3.72Å; L143-W154 HydrophobicContact CB-CZ3 3.67Å; K144-W154 HydrophobicContact CB-CD2 3.9Å; K144-W154 HydrophobicContact CB-CE3 3.89Å; K144-W154 HydrophobicContact CB-CG 4.43Å; K144-W154 HydrophobicContact CB-CH2 4.5Å; K144-W154 HydrophobicContact CB-CZ3 4.2Å; K144-W154 HydrophobicContact CD-CD2 4.38Å; K144-W154 HydrophobicContact CD-CG 4.16Å; K144-W154 HydrophobicContact CG-CB 4.37Å; K144-W154 HydrophobicContact CG-CD2 4.03Å; K144-W154 HydrophobicContact CG-CE3 4.34Å; K144-W154 HydrophobicContact CG-CG 4.04Å; W154-F159 HydrophobicContact CH2-CB 4.03Å; W154-F159 HydrophobicContact CH2-CD2 4.1Å; W154-F159 HydrophobicContact CH2-CG 4.11Å; W154-F159 HydrophobicContact CZ2-CB 3.68Å; W154-F159 HydrophobicContact CZ2-CD1 4.42Å; W154-F159 HydrophobicContact CZ2-CD2 4.3Å; W154-F159 AromaticContact CZ2-CG 3.86Å; W154-F159 HydrophobicContact CZ2-CG 3.86Å
155Q83.9Confident86.4Confident125 Ų12567.3 Ų67.358%0.58437%0.367SS*.  trans-109.684.8-176.6-62.5-17421.400110.6E157 Q158 F159Q155-E157 VanDerWaalsContact C-N 3.32Å; Q155-E157 PolarHBondContact O-N 3.49Å; Q155-Q158 HydrophobicContact CB-CB 4.18Å; Q155-Q158 PolarHBondContact O-N 2.85Å; Q155-F159 PolarHBondContact O-N 3.43Å
156Q87.1Confident85.3Confident74 Ų7465.9 Ų65.935%0.34636%0.361SS..Hα-helixtrans-54.1-46.3-176.1-162.972.632.300112.1E140 Q158 F159 E160E140-Q156 PolarHBondContact OE1-NE2 3.3Å; Q156-Q158 VanDerWaalsContact C-N 3.28Å; Q156-Q158 PolarHBondContact O-N 3.36Å; Q156-F159 CarbonylContact O-C 3.38Å; Q156-F159 WeakPolarHBondContact O-CA 3.44Å; Q156-F159 WeakPolarHBondContact O-CB 3.35Å; Q156-F159 PolarHBondContact O-N 2.98Å; Q156-E160 HydrophobicContact CG-CG 4.19Å; Q156-E160 PolarHBondContact NE2-OE1 2.74Å; Q156-E160 PolarHBondContact O-N 3.16Å
157E84.3Confident83.8Confident161 Ų16169.7 Ų69.775%0.75238%0.382SS*.Hα-helixtrans-56.8-37.7-178.4-62.8175.8177.800113.2Q155 F159 H161Q155-E157 VanDerWaalsContact C-N 3.32Å; Q155-E157 PolarHBondContact O-N 3.49Å; E157-F159 VanDerWaalsContact C-N 3.31Å; E157-F159 PolarHBondContact O-N 3.24Å; E157-H161 WeakPolarHBondContact O-CB 3.5Å; E157-H161 PolarHBondContact O-CD2 3.29Å; E157-H161 VanDerWaalsContact O-CD2 3.29Å; E157-H161 PolarHBondContact O-N 2.59Å; E157-H161 VanDerWaalsContact O-N 3.07Å
158Q85.3Confident82.2Confident72 Ų7276.4 Ų76.434%0.33642%0.417SS..Hα-helixtrans-66.2-36.3175.8-169.9-174.13.200111.2Q155 Q156 Y162 Q186 F187Q155-Q158 HydrophobicContact CB-CB 4.18Å; Q155-Q158 PolarHBondContact O-N 2.85Å; Q156-Q158 VanDerWaalsContact C-N 3.28Å; Q156-Q158 PolarHBondContact O-N 3.36Å; Q158-Y162 PolarHBondContact O-N 3.42Å; Q158-Y162 VanDerWaalsContact O-N 3.16Å; Q158-Q186 PolarHBondContact NE2-O 3.27Å; Q158-F187 HydrophobicContact CB-CE1 4.34Å; Q158-F187 HydrophobicContact CG-CD1 4.42Å; Q158-F187 HydrophobicContact CG-CE1 3.91Å
159F87.6Confident80.5Confident1 Ų175.6 Ų75.60%0.00442%0.423CS..Hα-helixtrans-76.9-38.7178.2-171.1-99000112.8S136 I139 E140 L143 W154 Q155 Q156 E157 H161 Y162 K163 F187S136-F159 WeakPolarHBondContact O-CZ 3.24Å; I139-F159 HydrophobicContact CG2-CE2 4.06Å; E140-F159 HydrophobicContact CB-CD1 4.15Å; E140-F159 HydrophobicContact CB-CE1 3.53Å; E140-F159 HydrophobicContact CB-CE2 4.3Å; E140-F159 HydrophobicContact CB-CZ 3.62Å; E140-F159 HydrophobicContact CG-CD1 3.71Å; E140-F159 HydrophobicContact CG-CE1 3.61Å; E140-F159 HydrophobicContact CG-CG 4.31Å; E140-F159 HydrophobicContact CG-CZ 4.13Å; L143-F159 HydrophobicContact CD1-CD2 3.99Å; L143-F159 HydrophobicContact CD1-CE2 3.95Å; W154-F159 HydrophobicContact CH2-CB 4.03Å; W154-F159 HydrophobicContact CH2-CD2 4.1Å; W154-F159 HydrophobicContact CH2-CG 4.11Å; W154-F159 HydrophobicContact CZ2-CB 3.68Å; W154-F159 HydrophobicContact CZ2-CD1 4.42Å; W154-F159 HydrophobicContact CZ2-CD2 4.3Å; W154-F159 AromaticContact CZ2-CG 3.86Å; W154-F159 HydrophobicContact CZ2-CG 3.86Å; Q155-F159 PolarHBondContact O-N 3.43Å; Q156-F159 CarbonylContact O-C 3.38Å; Q156-F159 WeakPolarHBondContact O-CA 3.44Å; Q156-F159 WeakPolarHBondContact O-CB 3.35Å; Q156-F159 PolarHBondContact O-N 2.98Å; E157-F159 VanDerWaalsContact C-N 3.31Å; E157-F159 PolarHBondContact O-N 3.24Å; F159-H161 PolarHBondContact O-N 3.48Å; F159-Y162 HydrophobicContact CD2-CD1 4.42Å; F159-Y162 HydrophobicContact CE2-CD1 4.1Å; F159-Y162 CarbonylContact O-C 3.59Å; F159-Y162 WeakPolarHBondContact O-CA 3.49Å; F159-Y162 WeakPolarHBondContact O-CB 3.19Å; F159-Y162 PolarHBondContact O-N 3.33Å; F159-Y162 VanDerWaalsContact O-N 3.09Å; F159-K163 WeakPolarHBondContact O-CB 3.26Å; F159-K163 PolarHBondContact O-N 3.47Å; F159-F187 HydrophobicContact CB-CE1 4.3Å; F159-F187 HydrophobicContact CD2-CE1 4.24Å; F159-F187 HydrophobicContact CD2-CZ 4.07Å
160E86.2Confident79.2Confident77 Ų7778.8 Ų78.836%0.3643%0.43SS..Hα-helixtrans-62.7-43.4173.9-59.3-53.115400111.3Q156 Y162 K163 I164Q156-E160 HydrophobicContact CG-CG 4.19Å; Q156-E160 PolarHBondContact NE2-OE1 2.74Å; Q156-E160 PolarHBondContact O-N 3.16Å; E160-Y162 PolarHBondContact O-N 2.7Å; E160-K163 PolarHBondContact O-N 2.87Å; E160-K163 VanDerWaalsContact O-N 3.15Å; E160-I164 WeakPolarHBondContact O-CG1 3.21Å; E160-I164 PolarHBondContact O-N 2.89Å
161H84.8Confident78.4Confident130 Ų13084.3 Ų84.360%0.60246%0.461SS*.Hα-helixtrans-62.3-30.7172.8-85.2-61.4000113E157 F159 N165E157-H161 WeakPolarHBondContact O-CB 3.5Å; E157-H161 PolarHBondContact O-CD2 3.29Å; E157-H161 VanDerWaalsContact O-CD2 3.29Å; E157-H161 PolarHBondContact O-N 2.59Å; E157-H161 VanDerWaalsContact O-N 3.07Å; F159-H161 PolarHBondContact O-N 3.48Å; H161-N165 PolarHBondContact O-ND2 3.31Å
162Y83.7Confident78.3Confident50 Ų5081.2 Ų81.220%0.19643%0.428CS..Hα-helixtrans-70.6-44.9171.1179.3-96.8000111.5Q158 F159 E160 I164 N165 F166 L181 F187Q158-Y162 PolarHBondContact O-N 3.42Å; Q158-Y162 VanDerWaalsContact O-N 3.16Å; F159-Y162 HydrophobicContact CD2-CD1 4.42Å; F159-Y162 HydrophobicContact CE2-CD1 4.1Å; F159-Y162 CarbonylContact O-C 3.59Å; F159-Y162 WeakPolarHBondContact O-CA 3.49Å; F159-Y162 WeakPolarHBondContact O-CB 3.19Å; F159-Y162 PolarHBondContact O-N 3.33Å; F159-Y162 VanDerWaalsContact O-N 3.09Å; E160-Y162 PolarHBondContact O-N 2.7Å; Y162-I164 PolarHBondContact O-N 2.97Å; Y162-N165 PolarHBondContact O-N 3.11Å; Y162-F166 HydrophobicContact CE1-CD2 4.46Å; Y162-F166 WeakPolarHBondContact O-CB 3.09Å; Y162-F166 PolarHBondContact O-N 2.86Å; Y162-L181 HydrophobicContact CD2-CD1 4.48Å; Y162-L181 HydrophobicContact CE1-CD2 4.35Å; Y162-L181 HydrophobicContact CE2-CD1 3.68Å; Y162-F187 HydrophobicContact CG-CZ 4.32Å
163K83.6Confident78.6Confident43 Ų4380 Ų8019%0.18741%0.414CS..Hα-helixtrans-61.8-43.4-178.9-170.8172.2-171.2167.50112.8E137 F159 E160 N165 F166 D167E137-K163 IonicContact OE1-NZ 3.9Å; E137-K163 PolarHBondContact OE1-NZ 2.97Å; F159-K163 WeakPolarHBondContact O-CB 3.26Å; F159-K163 PolarHBondContact O-N 3.47Å; E160-K163 PolarHBondContact O-N 2.87Å; E160-K163 VanDerWaalsContact O-N 3.15Å; K163-N165 VanDerWaalsContact C-N 3.33Å; K163-N165 PolarHBondContact O-N 3.34Å; K163-F166 WeakPolarHBondContact O-CA 3.4Å; K163-F166 WeakPolarHBondContact O-CB 3.49Å; K163-F166 PolarHBondContact O-N 3.21Å; K163-D167 PolarHBondContact O-N 3.35Å
164I79.3Confident78.9Confident109 Ų10978.7 Ų78.756%0.55940%0.395SS*.Hα-helixtrans-59.1-43.3177.4-67.1162.8000111.3E160 Y162 F166E160-I164 WeakPolarHBondContact O-CG1 3.21Å; E160-I164 PolarHBondContact O-N 2.89Å; Y162-I164 PolarHBondContact O-N 2.97Å; I164-F166 PolarHBondContact O-N 2.98Å
165N71.5Confident79Confident126 Ų12676.3 Ų76.367%0.67439%0.386SS*.Hα-helixtrans-74.2-5.9177.2-70.5-65.9000113.8H161 Y162 K163H161-N165 PolarHBondContact O-ND2 3.31Å; Y162-N165 PolarHBondContact O-N 3.11Å; K163-N165 VanDerWaalsContact C-N 3.33Å; K163-N165 PolarHBondContact O-N 3.34Å
166F70.6Confident79.3Confident11 Ų1172.1 Ų72.15%0.04837%0.365CS..Hα-helixtrans-104.6-47-173.1171.1-98.6000111.7I139 Y162 K163 I164 D168 S169 K170 L173I139-F166 HydrophobicContact CD1-CZ 4.18Å; Y162-F166 HydrophobicContact CE1-CD2 4.46Å; Y162-F166 WeakPolarHBondContact O-CB 3.09Å; Y162-F166 PolarHBondContact O-N 2.86Å; K163-F166 WeakPolarHBondContact O-CA 3.4Å; K163-F166 WeakPolarHBondContact O-CB 3.49Å; K163-F166 PolarHBondContact O-N 3.21Å; I164-F166 PolarHBondContact O-N 2.98Å; F166-D168 PolarHBondContact O-N 3Å; F166-S169 PolarHBondContact O-N 3.45Å; F166-S169 PolarHBondContact O-OG 2.95Å; F166-K170 WeakPolarHBondContact CE1-O 3.5Å; F166-K170 WeakPolarHBondContact CZ-O 3.4Å; F166-K170 PolarHBondContact O-N 3.42Å; F166-L173 HydrophobicContact CD2-CD2 4.29Å; F166-L173 HydrophobicContact CE2-CD2 3.62Å; F166-L173 HydrophobicContact CE2-CG 3.74Å; F166-L173 HydrophobicContact CZ-CG 4.26Å
167D61.6Low79.4Confident93 Ų9371.3 Ų71.350%0.49736%0.361SS..Hα-helixtrans-59.3-30.2180-71.4-16.4000112.2K163 S169K163-D167 PolarHBondContact O-N 3.35Å; D167-S169 PolarHBondContact O-N 2.95Å
168D57.8Low79.8Confident153 Ų15363.7 Ų63.782%0.81833%0.325SS*.THydrogen-bonded Turntrans-65.5-9.6173.6-93.4-7.2000114.6F166F166-D168 PolarHBondContact O-N 3Å
169S57.4Low80.1Confident87 Ų8760.2 Ų60.261%0.60831%0.309SS*.THydrogen-bonded Turntrans-137.4-35.2-171.170.80000116.9F166 D167F166-S169 PolarHBondContact O-N 3.45Å; F166-S169 PolarHBondContact O-OG 2.95Å; D167-S169 PolarHBondContact O-N 2.95Å
170K64.9Low80.2Confident99 Ų9962.8 Ų62.843%0.4332%0.321SS..  trans-152.6129.5-175.7-69.5179179.6162.50112.6F166 G172 E177F166-K170 WeakPolarHBondContact CE1-O 3.5Å; F166-K170 WeakPolarHBondContact CZ-O 3.4Å; F166-K170 PolarHBondContact O-N 3.42Å; K170-G172 PolarHBondContact O-N 2.74Å; K170-E177 IonicContact NZ-OE1 2.7Å; K170-E177 PolarHBondContact NZ-OE1 2.97Å
171N74.1Confident80.4Confident144 Ų14459.6 Ų59.677%0.7731%0.307SS*.SBendtrans-68.913.1173.5-54.746000114.8
172G84.5Confident80.7Confident6 Ų654 Ų546%0.06228%0.281CS..SBendtrans167.5152.6-172.200000114I134 K170I134-G172 CarbonylContact O-C 3.54Å; I134-G172 WeakPolarHBondContact O-CA 3.33Å; K170-G172 PolarHBondContact O-N 2.74Å
173L88.8Confident80.9Confident9 Ų951.7 Ų51.75%0.04727%0.272CS..BIsolated β-bridgetrans-90148.8168.6-65.4176.9000110.9F122 I133 I134 I139 F166 E177 L178 L181F122-L173 WeakPolarHBondContact CE2-O 3.42Å; I133-L173 CarbonylContact C-O 3.56Å; I133-L173 VanDerWaalsContact CA-O 3.25Å; I133-L173 WeakPolarHBondContact CA-O 3.38Å; I134-L173 HydrophobicContact CG2-CB 3.94Å; I134-L173 PolarHBondContact N-O 2.98Å; I134-L173 PolarHBondContact O-N 3.26Å; I139-L173 HydrophobicContact CD1-CB 4.16Å; I139-L173 HydrophobicContact CD1-CD1 3.54Å; I139-L173 HydrophobicContact CD1-CG 3.67Å; I139-L173 HydrophobicContact CG1-CD1 4.26Å; F166-L173 HydrophobicContact CD2-CD2 4.29Å; F166-L173 HydrophobicContact CE2-CD2 3.62Å; F166-L173 HydrophobicContact CE2-CG 3.74Å; F166-L173 HydrophobicContact CZ-CG 4.26Å; L173-E177 HydrophobicContact CB-CB 4.32Å; L173-E177 HydrophobicContact CD2-CB 3.91Å; L173-L178 HydrophobicContact CD1-CD1 4.45Å; L173-L181 HydrophobicContact CD1-CD2 3.93Å
174S91.2Very high81.1Confident32 Ų3253.9 Ų53.922%0.22429%0.286CS..  trans-77.7168.2161.5710000111.8W176 E177 L178S174-W176 PolarHBondContact O-N 3.44Å; S174-E177 WeakPolarHBondContact CB-OE2 3.46Å; S174-E177 PolarHBondContact N-OE2 2.69Å; S174-E177 PolarHBondContact O-N 2.82Å; S174-E177 PolarHBondContact OG-OE2 3.44Å; S174-L178 PolarHBondContact O-N 3.16Å; S174-L178 VanDerWaalsContact O-N 3.1Å
175A91.2Very high81.2Confident0 Ų049 Ų490%026%0.263CS..Hα-helixtrans-55.8-37.7178.200000113.2F122 I179F122-A175 HydrophobicContact CB-CB 4.33Å; F122-A175 HydrophobicContact CD1-CB 3.43Å; F122-A175 VanDerWaalsContact CD1-CB 3.43Å; F122-A175 HydrophobicContact CD2-CB 4.06Å; F122-A175 HydrophobicContact CE1-CB 3.64Å; F122-A175 HydrophobicContact CE2-CB 4.22Å; F122-A175 VanDerWaalsContact CE2-N 3.31Å; F122-A175 HydrophobicContact CG-CB 3.66Å; F122-A175 HydrophobicContact CZ-CB 4.03Å; A175-I179 VanDerWaalsContact O-CD1 3.32Å; A175-I179 WeakPolarHBondContact O-CD1 3.14Å; A175-I179 WeakPolarHBondContact O-CG1 3.44Å; A175-I179 PolarHBondContact O-N 2.98Å; A175-I179 VanDerWaalsContact O-N 3.08Å
176W90.3Very high81.8Confident38 Ų3847.2 Ų47.214%0.14425%0.25CS..Hα-helixtrans-74.8-42-175.4-46.3108.5000111.3W95 C98 N102 S174 L178 I179 E180W95-W176 HydrophobicContact CE3-CH2 4.2Å; W95-W176 HydrophobicContact CE3-CZ3 4.37Å; W95-W176 AromaticContact CH2-CZ3 3.94Å; W95-W176 HydrophobicContact CH2-CZ3 3.94Å; W95-W176 AromaticContact CZ3-CH2 3.74Å; W95-W176 HydrophobicContact CZ3-CH2 3.74Å; W95-W176 AromaticContact CZ3-CZ3 3.5Å; W95-W176 HydrophobicContact CZ3-CZ3 3.5Å; W95-W176 VanDerWaalsContact CZ3-CZ3 3.5Å; C98-W176 HydrophobicContact CB-CH2 4.11Å; C98-W176 HydrophobicContact CB-CZ2 4Å; N102-W176 HydrophobicContact CB-CD2 3.41Å; N102-W176 VanDerWaalsContact CB-CD2 3.41Å; N102-W176 HydrophobicContact CB-CE3 3.76Å; N102-W176 HydrophobicContact CB-CG 3.89Å; N102-W176 HydrophobicContact CB-CH2 4.07Å; N102-W176 HydrophobicContact CB-CZ2 3.73Å; N102-W176 HydrophobicContact CB-CZ3 4.07Å; N102-W176 VanDerWaalsContact ND2-CE2 3.3Å; N102-W176 WeakPolarHBondContact ND2-CZ2 3.02Å; N102-W176 PolarHBondContact ND2-NE1 2.77Å; S174-W176 PolarHBondContact O-N 3.44Å; W176-L178 VanDerWaalsContact C-N 3.29Å; W176-L178 PolarHBondContact O-N 2.87Å; W176-I179 HydrophobicContact CE3-CD1 3.97Å; W176-I179 HydrophobicContact CZ3-CD1 4.2Å; W176-I179 WeakPolarHBondContact O-CB 3.28Å; W176-I179 PolarHBondContact O-N 2.65Å; W176-E180 WeakPolarHBondContact O-CG 3.47Å; W176-E180 PolarHBondContact O-N 2.73Å
177E89.6Confident82.3Confident57 Ų5747.9 Ų47.927%0.26625%0.253SS..Hα-helixtrans-65.6-32.7175.3-63.5159.212200111.7K170 L173 S174 E180 L181K170-E177 IonicContact NZ-OE1 2.7Å; K170-E177 PolarHBondContact NZ-OE1 2.97Å; L173-E177 HydrophobicContact CB-CB 4.32Å; L173-E177 HydrophobicContact CD2-CB 3.91Å; S174-E177 WeakPolarHBondContact CB-OE2 3.46Å; S174-E177 PolarHBondContact N-OE2 2.69Å; S174-E177 PolarHBondContact O-N 2.82Å; S174-E177 PolarHBondContact OG-OE2 3.44Å; E177-E180 PolarHBondContact O-N 2.88Å; E177-L181 WeakPolarHBondContact O-CB 3.25Å; E177-L181 PolarHBondContact O-N 3.32Å
178L91.9Very high83.3Confident0 Ų044 Ų440%023%0.233CC..Hα-helixtrans-68-41.6171.6-178.868.9000112.4V118 F122 I134 L142 L173 S174 W176 E180 L181 I182V118-L178 HydrophobicContact CG1-CD2 4.2Å; V118-L178 HydrophobicContact CG1-CG 4.24Å; F122-L178 HydrophobicContact CB-CD2 4.07Å; F122-L178 HydrophobicContact CD2-CD2 4.03Å; I134-L178 HydrophobicContact CD1-CD2 4.23Å; I134-L178 HydrophobicContact CG2-CD2 4.38Å; L142-L178 HydrophobicContact CD2-CD1 4.25Å; L142-L178 HydrophobicContact CD2-CD2 3.83Å; L142-L178 HydrophobicContact CD2-CG 4.47Å; L173-L178 HydrophobicContact CD1-CD1 4.45Å; S174-L178 PolarHBondContact O-N 3.16Å; S174-L178 VanDerWaalsContact O-N 3.1Å; W176-L178 VanDerWaalsContact C-N 3.29Å; W176-L178 PolarHBondContact O-N 2.87Å; L178-E180 VanDerWaalsContact C-N 3.3Å; L178-E180 PolarHBondContact O-N 2.88Å; L178-L181 PolarHBondContact O-N 3.46Å; L178-I182 HydrophobicContact CD1-CD1 4.14Å; L178-I182 HydrophobicContact CG-CD1 4.16Å; L178-I182 PolarHBondContact O-N 3.26Å; L178-I182 VanDerWaalsContact O-N 3.07Å
179I92.3Very high84.3Confident0 Ų046 Ų460%024%0.235CC..Hα-helixtrans-62.1-39.6175.1-69.9161.2000110.3W95 L103 L108 I110 A115 V118 W119 A175 W176 G183W95-I179 HydrophobicContact CH2-CD1 4.06Å; W95-I179 HydrophobicContact CZ3-CD1 4.13Å; L103-I179 HydrophobicContact CD1-CG2 3.74Å; L108-I179 HydrophobicContact CD1-CG2 4.15Å; I110-I179 HydrophobicContact CD1-CG2 3.99Å; A115-I179 HydrophobicContact CB-CG2 3.86Å; V118-I179 HydrophobicContact CB-CG1 4.18Å; V118-I179 HydrophobicContact CG1-CG1 3.69Å; W119-I179 HydrophobicContact CB-CD1 4.12Å; A175-I179 VanDerWaalsContact O-CD1 3.32Å; A175-I179 WeakPolarHBondContact O-CD1 3.14Å; A175-I179 WeakPolarHBondContact O-CG1 3.44Å; A175-I179 PolarHBondContact O-N 2.98Å; A175-I179 VanDerWaalsContact O-N 3.08Å; W176-I179 HydrophobicContact CE3-CD1 3.97Å; W176-I179 HydrophobicContact CZ3-CD1 4.2Å; W176-I179 WeakPolarHBondContact O-CB 3.28Å; W176-I179 PolarHBondContact O-N 2.65Å; I179-G183 WeakPolarHBondContact O-CA 3.4Å; I179-G183 PolarHBondContact O-N 3.23Å
180E89.8Confident85.3Confident54 Ų5445.4 Ų45.425%0.25224%0.242SC..Hα-helixtrans-69.7-39.9173.2-69.9-170156.500112.5T104 W176 E177 L178 I182 G183 N184T104-E180 WeakPolarHBondContact CB-OE1 3.44Å; T104-E180 WeakPolarHBondContact CG2-OE1 3.24Å; T104-E180 PolarHBondContact OG1-OE1 2.9Å; W176-E180 WeakPolarHBondContact O-CG 3.47Å; W176-E180 PolarHBondContact O-N 2.73Å; E177-E180 PolarHBondContact O-N 2.88Å; L178-E180 VanDerWaalsContact C-N 3.3Å; L178-E180 PolarHBondContact O-N 2.88Å; E180-I182 VanDerWaalsContact C-N 3.34Å; E180-I182 PolarHBondContact O-N 2.89Å; E180-G183 PolarHBondContact O-N 2.82Å; E180-N184 WeakPolarHBondContact O-CB 3.34Å; E180-N184 PolarHBondContact O-N 3.06Å; E180-N184 PolarHBondContact O-ND2 3.11Å
181L89.7Confident86.4Confident10 Ų1044.4 Ų44.45%0.05224%0.24CC..Hα-helixtrans-58.1-45.9177.6-172.767.9000111.9I139 L143 Y162 L173 E177 L178 F187I139-L181 HydrophobicContact CG2-CD2 4.1Å; L143-L181 HydrophobicContact CD1-CD2 4.24Å; Y162-L181 HydrophobicContact CD2-CD1 4.48Å; Y162-L181 HydrophobicContact CE1-CD2 4.35Å; Y162-L181 HydrophobicContact CE2-CD1 3.68Å; L173-L181 HydrophobicContact CD1-CD2 3.93Å; E177-L181 WeakPolarHBondContact O-CB 3.25Å; E177-L181 PolarHBondContact O-N 3.32Å; L178-L181 PolarHBondContact O-N 3.46Å; L181-F187 HydrophobicContact CD1-CE2 4.17Å; L181-F187 HydrophobicContact CD2-CE2 4.41Å; L181-F187 HydrophobicContact CG-CE2 4.35Å
182I90.8Very high87.1Confident13 Ų1341.6 Ų41.67%0.06723%0.225CC..Hα-helixtrans-73.4-44.2176.5-65.9167.5000110.4I110 V118 L142 L143 L146 L178 E180 N184 G185 I200I110-I182 HydrophobicContact CG2-CG2 4.31Å; V118-I182 HydrophobicContact CG1-CD1 3.81Å; V118-I182 HydrophobicContact CG2-CD1 4.11Å; L142-I182 HydrophobicContact CD2-CD1 4.23Å; L143-I182 HydrophobicContact CD2-CG1 4.16Å; L146-I182 HydrophobicContact CD1-CD1 3.78Å; L146-I182 HydrophobicContact CD1-CG1 4.23Å; L178-I182 HydrophobicContact CD1-CD1 4.14Å; L178-I182 HydrophobicContact CG-CD1 4.16Å; L178-I182 PolarHBondContact O-N 3.26Å; L178-I182 VanDerWaalsContact O-N 3.07Å; E180-I182 VanDerWaalsContact C-N 3.34Å; E180-I182 PolarHBondContact O-N 2.89Å; I182-N184 PolarHBondContact O-N 3.44Å; I182-G185 PolarHBondContact O-N 3.28Å; I182-I200 HydrophobicContact CG2-CD1 4.03Å
183G88.2Confident87.3Confident1 Ų147.7 Ų47.71%0.0125%0.246CC..Hα-helixtrans-67.8-28.4-177.400000114.9L109 I179 E180 G185L109-G183 WeakPolarHBondContact CB-O 3.35Å; L109-G183 PolarHBondContact N-O 3.42Å; I179-G183 WeakPolarHBondContact O-CA 3.4Å; I179-G183 PolarHBondContact O-N 3.23Å; E180-G183 PolarHBondContact O-N 2.82Å; G183-G185 VanDerWaalsContact C-N 3.25Å
184N87.2Confident87.5Confident90 Ų9053.9 Ų53.948%0.48128%0.275SS..THydrogen-bonded Turntrans-78.7-7.2171.8-70.3-37.9000112.7E180 I182 Q186E180-N184 WeakPolarHBondContact O-CB 3.34Å; E180-N184 PolarHBondContact O-N 3.06Å; E180-N184 PolarHBondContact O-ND2 3.11Å; I182-N184 PolarHBondContact O-N 3.44Å; N184-Q186 VanDerWaalsContact C-N 3.33Å; N184-Q186 PolarHBondContact O-N 3.38Å
185G82.9Confident87.5Confident7 Ų754.3 Ų54.37%0.07228%0.277CS..THydrogen-bonded Turntrans68.721.7170.400000116I182 G183 F187 S188 K189I182-G185 PolarHBondContact O-N 3.28Å; G183-G185 VanDerWaalsContact C-N 3.25Å; G185-F187 PolarHBondContact O-N 3.22Å; G185-S188 VanDerWaalsContact CA-OG 3.23Å; G185-S188 WeakPolarHBondContact CA-OG 3.45Å; G185-S188 CarbonylContact O-C 3.6Å; G185-S188 PolarHBondContact O-N 3.45Å; G185-K189 PolarHBondContact O-N 3.2Å
186Q82.8Confident87.6Confident87 Ų8754.6 Ų54.641%0.40728%0.278SS..THydrogen-bonded Turntrans-55.2-39.6-177.2-64.5-172.2-1.500112.3Q158 N184Q158-Q186 PolarHBondContact NE2-O 3.27Å; N184-Q186 VanDerWaalsContact C-N 3.33Å; N184-Q186 PolarHBondContact O-N 3.38Å
187F82.3Confident87.8Confident26 Ų2654.3 Ų54.311%0.11428%0.282CS..THydrogen-bonded Turntrans-101.88.1179-60.7-84.5000113.7L143 Q158 F159 Y162 L181 G185L143-F187 HydrophobicContact CD1-CD1 4.4Å; L143-F187 HydrophobicContact CD1-CD2 3.64Å; L143-F187 HydrophobicContact CD1-CE1 4.37Å; L143-F187 HydrophobicContact CD1-CE2 3.62Å; L143-F187 HydrophobicContact CD1-CG 4.06Å; L143-F187 HydrophobicContact CD1-CZ 3.99Å; L143-F187 HydrophobicContact CD2-CB 4.31Å; L143-F187 HydrophobicContact CD2-CD2 3.95Å; L143-F187 HydrophobicContact CD2-CG 4.27Å; L143-F187 HydrophobicContact CG-CD2 4.41Å; Q158-F187 HydrophobicContact CB-CE1 4.34Å; Q158-F187 HydrophobicContact CG-CD1 4.42Å; Q158-F187 HydrophobicContact CG-CE1 3.91Å; F159-F187 HydrophobicContact CB-CE1 4.3Å; F159-F187 HydrophobicContact CD2-CE1 4.24Å; F159-F187 HydrophobicContact CD2-CZ 4.07Å; Y162-F187 HydrophobicContact CG-CZ 4.32Å; L181-F187 HydrophobicContact CD1-CE2 4.17Å; L181-F187 HydrophobicContact CD2-CE2 4.41Å; L181-F187 HydrophobicContact CG-CE2 4.35Å; G185-F187 PolarHBondContact O-N 3.22Å
188S82.4Confident87.9Confident10 Ų1057.1 Ų57.17%0.0730%0.296CS..SBendtrans-123.923.9176.275.40000112.1G185 G190 M191G185-S188 VanDerWaalsContact CA-OG 3.23Å; G185-S188 WeakPolarHBondContact CA-OG 3.45Å; G185-S188 CarbonylContact O-C 3.6Å; G185-S188 PolarHBondContact O-N 3.45Å; S188-G190 PolarHBondContact O-N 3.4Å; S188-G190 VanDerWaalsContact O-N 3.16Å; S188-M191 WeakPolarHBondContact O-CB 3.49Å; S188-M191 PolarHBondContact O-N 2.87Å
189K78.6Confident88Confident195 Ų19557.1 Ų57.185%0.84830%0.297SS*.THydrogen-bonded Turntrans-63.1114.9-171.9-170.2177.1-177.1179.30111.2G185G185-K189 PolarHBondContact O-N 3.2Å
190G78.6Confident88.2Confident75 Ų7557.2 Ų57.277%0.77330%0.297SS*.THydrogen-bonded Turntrans95.4-5.1-176.100000114.9S188S188-G190 PolarHBondContact O-N 3.4Å; S188-G190 VanDerWaalsContact O-N 3.16Å
191M87.3Confident88.4Confident79 Ų7957.6 Ų57.639%0.38930%0.301SS..  trans-82.8149.4166.9-56.8-67.393.800110.3M150 S188 T195 V196M150-M191 HydrophobicContact CB-CG 4.5Å; M150-M191 HydrophobicContact CB-SD 4.26Å; M150-M191 HydrophobicContact SD-CB 4.18Å; M150-M191 HydrophobicContact SD-CG 3.8Å; S188-M191 WeakPolarHBondContact O-CB 3.49Å; S188-M191 PolarHBondContact O-N 2.87Å; M191-T195 HydrophobicContact CB-CG2 4.4Å; M191-T195 HydrophobicContact SD-CG2 4.07Å; M191-V196 HydrophobicContact CB-CG2 4.09Å
192D88.9Confident88.6Confident84 Ų8462.2 Ų62.245%0.44932%0.322SS..  trans-86.8167174.176.2-82.1000112.4Q194 T195 V196D192-Q194 VanDerWaalsContact C-N 3.33Å; D192-Q194 PolarHBondContact O-N 3.42Å; D192-Q194 WeakPolarHBondContact OD2-CA 3.37Å; D192-Q194 VanDerWaalsContact OD2-CB 3.24Å; D192-Q194 WeakPolarHBondContact OD2-CB 3.31Å; D192-Q194 PolarHBondContact OD2-N 3.41Å; D192-T195 PolarHBondContact O-N 2.89Å; D192-T195 VanDerWaalsContact OD1-CB 3.22Å; D192-T195 WeakPolarHBondContact OD1-CB 3.44Å; D192-T195 PolarHBondContact OD1-OG1 3.41Å; D192-T195 PolarHBondContact OD2-N 3.37Å; D192-T195 VanDerWaalsContact OD2-N 3.11Å; D192-V196 WeakPolarHBondContact O-CG2 3.43Å; D192-V196 PolarHBondContact O-N 3.39Å
193R89.6Confident88.8Confident135 Ų13561.7 Ų61.751%0.50932%0.32SS..Hα-helixtrans-58.7-37.7-178.2178.6170.1-149.6-163.410.6114.2L109 I110 S197L109-R193 VanDerWaalsContact O-CD 3.29Å; L109-R193 WeakPolarHBondContact O-CD 3.25Å; L109-R193 VanDerWaalsContact O-CG 3.24Å; L109-R193 WeakPolarHBondContact O-CG 3.47Å; L109-R193 PolarHBondContact O-NE 3.36Å; I110-R193 PolarHBondContact O-NH2 3.35Å; R193-S197 WeakPolarHBondContact O-CB 3.18Å; R193-S197 PolarHBondContact O-N 2.75Å
194Q91.3Very high89.2Confident138 Ų13862.3 Ų62.365%0.64532%0.322SS*.Hα-helixtrans-72.2-43.3-179.4-175.3178.2-28.900110.2D192 V196 S197 M198D192-Q194 VanDerWaalsContact C-N 3.33Å; D192-Q194 PolarHBondContact O-N 3.42Å; D192-Q194 WeakPolarHBondContact OD2-CA 3.37Å; D192-Q194 VanDerWaalsContact OD2-CB 3.24Å; D192-Q194 WeakPolarHBondContact OD2-CB 3.31Å; D192-Q194 PolarHBondContact OD2-N 3.41Å; Q194-V196 VanDerWaalsContact C-N 3.35Å; Q194-V196 PolarHBondContact O-N 3.34Å; Q194-S197 PolarHBondContact O-N 2.87Å; Q194-M198 HydrophobicContact CG-CG 4.45Å; Q194-M198 HydrophobicContact CG-SD 4.07Å; Q194-M198 WeakPolarHBondContact O-CB 3.37Å; Q194-M198 VanDerWaalsContact O-CG 3.3Å; Q194-M198 WeakPolarHBondContact O-CG 3.38Å; Q194-M198 PolarHBondContact O-N 3.24Å
195T92.3Very high89.5Confident42 Ų4258.5 Ų58.526%0.25830%0.302SS..Hα-helixtrans-58.3-44.2174.1-640000111.9M150 M191 D192 M198 A199M150-T195 HydrophobicContact CB-CG2 4.11Å; M150-T195 HydrophobicContact CG-CG2 4.04Å; M191-T195 HydrophobicContact CB-CG2 4.4Å; M191-T195 HydrophobicContact SD-CG2 4.07Å; D192-T195 PolarHBondContact O-N 2.89Å; D192-T195 VanDerWaalsContact OD1-CB 3.22Å; D192-T195 WeakPolarHBondContact OD1-CB 3.44Å; D192-T195 PolarHBondContact OD1-OG1 3.41Å; D192-T195 PolarHBondContact OD2-N 3.37Å; D192-T195 VanDerWaalsContact OD2-N 3.11Å; T195-M198 PolarHBondContact O-N 2.78Å; T195-A199 PolarHBondContact O-N 2.82Å
196V92.8Very high90Very high6 Ų660.6 Ų60.64%0.03631%0.31CS..Hα-helixtrans-63.7-45.8176176.30000111.8I110 M150 M191 D192 Q194 M198 A199 I200I110-V196 HydrophobicContact CG2-CG1 3.87Å; M150-V196 HydrophobicContact SD-CG2 3.85Å; M191-V196 HydrophobicContact CB-CG2 4.09Å; D192-V196 WeakPolarHBondContact O-CG2 3.43Å; D192-V196 PolarHBondContact O-N 3.39Å; Q194-V196 VanDerWaalsContact C-N 3.35Å; Q194-V196 PolarHBondContact O-N 3.34Å; V196-M198 PolarHBondContact O-N 2.79Å; V196-A199 PolarHBondContact O-N 2.84Å; V196-I200 HydrophobicContact CG1-CD1 3.87Å; V196-I200 WeakPolarHBondContact O-CG1 3.38Å; V196-I200 PolarHBondContact O-N 3.28Å
197S94.1Very high90.4Very high31 Ų3156.5 Ų56.522%0.21729%0.291CS..Hα-helixtrans-63.8-38.6177.6-179.80000112.2D114 R193 Q194 I200 N201D114-S197 WeakPolarHBondContact OD1-CB 3.3Å; D114-S197 PolarHBondContact OD1-OG 3.16Å; D114-S197 PolarHBondContact OD2-OG 2.83Å; R193-S197 WeakPolarHBondContact O-CB 3.18Å; R193-S197 PolarHBondContact O-N 2.75Å; Q194-S197 PolarHBondContact O-N 2.87Å; S197-I200 PolarHBondContact O-N 3.02Å; S197-N201 VanDerWaalsContact O-CB 3.24Å; S197-N201 WeakPolarHBondContact O-CB 3.42Å; S197-N201 PolarHBondContact O-N 3.28Å
198M92.6Very high90.9Very high116 Ų11657 Ų5757%0.57129%0.294SS*.Hα-helixtrans-62.3-44.3174.4-75.2176.661.600111.9Q194 T195 V196 N201 E202Q194-M198 HydrophobicContact CG-CG 4.45Å; Q194-M198 HydrophobicContact CG-SD 4.07Å; Q194-M198 WeakPolarHBondContact O-CB 3.37Å; Q194-M198 VanDerWaalsContact O-CG 3.3Å; Q194-M198 WeakPolarHBondContact O-CG 3.38Å; Q194-M198 PolarHBondContact O-N 3.24Å; T195-M198 PolarHBondContact O-N 2.78Å; V196-M198 PolarHBondContact O-N 2.79Å; M198-N201 WeakPolarHBondContact O-CB 3.46Å; M198-N201 PolarHBondContact O-N 3.29Å; M198-E202 PolarHBondContact O-N 3.3Å
199A94.5Very high91.3Very high1 Ų158.1 Ų58.11%0.00830%0.299CS..Hα-helixtrans-64.8-44.2176.600000112.8L146 A149 M150 T195 V196 N201 E202 V203L146-A199 HydrophobicContact CD2-CB 4.42Å; A149-A199 HydrophobicContact CB-CB 3.8Å; M150-A199 HydrophobicContact CB-CB 4.46Å; M150-A199 HydrophobicContact CG-CB 3.4Å; M150-A199 VanDerWaalsContact CG-CB 3.4Å; T195-A199 PolarHBondContact O-N 2.82Å; V196-A199 PolarHBondContact O-N 2.84Å; A199-N201 PolarHBondContact O-N 2.95Å; A199-E202 PolarHBondContact O-N 2.81Å; A199-V203 WeakPolarHBondContact O-CG2 3.41Å; A199-V203 PolarHBondContact O-N 3.31Å
200I95.7Very high92Very high1 Ų150.5 Ų50.51%0.00527%0.267CS..Hα-helixtrans-59.3-40173.1-68.2169000110.4I110 D114 K117 V118 L146 I182 V196 S197 F204I110-I200 HydrophobicContact CG2-CD1 3.66Å; D114-I200 HydrophobicContact CB-CD1 4.08Å; D114-I200 HydrophobicContact CB-CG2 4.32Å; K117-I200 HydrophobicContact CB-CG2 3.78Å; K117-I200 HydrophobicContact CD-CG2 4.13Å; V118-I200 HydrophobicContact CG2-CD1 4.08Å; V118-I200 HydrophobicContact CG2-CG1 4.34Å; V118-I200 HydrophobicContact CG2-CG2 4.01Å; L146-I200 HydrophobicContact CD2-CB 4.38Å; L146-I200 HydrophobicContact CD2-CG1 3.75Å; I182-I200 HydrophobicContact CG2-CD1 4.03Å; V196-I200 HydrophobicContact CG1-CD1 3.87Å; V196-I200 WeakPolarHBondContact O-CG1 3.38Å; V196-I200 PolarHBondContact O-N 3.28Å; S197-I200 PolarHBondContact O-N 3.02Å; I200-F204 WeakPolarHBondContact O-CB 3.35Å; I200-F204 PolarHBondContact O-N 2.97Å
201N94.5Very high92.7Very high63 Ų6347.4 Ų47.434%0.33723%0.234SC..Hα-helixtrans-66.9-40.5177.2-162.672.8000112.4K117 S197 M198 A199 N205K117-N201 PolarHBondContact NZ-OD1 3.24Å; S197-N201 VanDerWaalsContact O-CB 3.24Å; S197-N201 WeakPolarHBondContact O-CB 3.42Å; S197-N201 PolarHBondContact O-N 3.28Å; M198-N201 WeakPolarHBondContact O-CB 3.46Å; M198-N201 PolarHBondContact O-N 3.29Å; A199-N201 PolarHBondContact O-N 2.95Å; N201-N205 PolarHBondContact ND2-ND2 3.2Å; N201-N205 WeakPolarHBondContact O-CB 3.2Å; N201-N205 VanDerWaalsContact O-CG 3.29Å; N201-N205 PolarHBondContact O-N 3.28Å; N201-N205 PolarHBondContact O-ND2 3.45Å
202E93.6Very high93Very high107 Ų10745.9 Ų45.950%0.523%0.227SC..Hα-helixtrans-65.8-47.4176.7-173.7158.7179.100111.8A149 M198 A199 F204 N205 E206A149-E202 HydrophobicContact CB-CB 4.46Å; M198-E202 PolarHBondContact O-N 3.3Å; A199-E202 PolarHBondContact O-N 2.81Å; E202-F204 VanDerWaalsContact C-N 3.35Å; E202-F204 PolarHBondContact O-N 2.92Å; E202-N205 WeakPolarHBondContact O-CB 3.49Å; E202-N205 PolarHBondContact O-N 2.98Å; E202-N205 VanDerWaalsContact O-N 3.16Å; E202-E206 PolarHBondContact O-N 2.87Å
203V95.5Very high93.3Very high2 Ų243.9 Ų43.91%0.01221%0.214CC..Hα-helixtrans-64.4-37.8177177.20000111.8I121 L142 K145 L146 A149 A199 E206 L207I121-V203 HydrophobicContact CD1-CG1 4.19Å; L142-V203 HydrophobicContact CD1-CG1 3.86Å; K145-V203 HydrophobicContact CB-CG1 4.45Å; K145-V203 HydrophobicContact CB-CG2 4.02Å; L146-V203 HydrophobicContact CD2-CB 4.22Å; L146-V203 HydrophobicContact CD2-CG2 3.91Å; L146-V203 HydrophobicContact CG-CG2 4.36Å; A149-V203 HydrophobicContact CB-CG2 4.33Å; A199-V203 WeakPolarHBondContact O-CG2 3.41Å; A199-V203 PolarHBondContact O-N 3.31Å; V203-E206 PolarHBondContact O-N 3.48Å; V203-L207 HydrophobicContact CG1-CD1 3.62Å; V203-L207 HydrophobicContact CG1-CG 4.07Å; V203-L207 WeakPolarHBondContact O-CB 3.49Å; V203-L207 WeakPolarHBondContact O-CG 3.28Å; V203-L207 PolarHBondContact O-N 3.14Å
204F95.4Very high93.6Very high13 Ų1339.8 Ų39.86%0.05720%0.201CC..Hα-helixtrans-62.7-42.8172.5179.8-95.6000112.1K117 V120 I121 I200 E202 I208 L209K117-F204 HydrophobicContact CB-CB 4.19Å; K117-F204 HydrophobicContact CB-CD2 3.63Å; K117-F204 HydrophobicContact CB-CE2 4.21Å; K117-F204 HydrophobicContact CB-CG 4Å; K117-F204 HydrophobicContact CD-CB 4.35Å; K117-F204 HydrophobicContact CD-CD1 4.49Å; K117-F204 HydrophobicContact CD-CG 4.27Å; K117-F204 HydrophobicContact CG-CB 4.3Å; K117-F204 HydrophobicContact CG-CD1 4.22Å; K117-F204 HydrophobicContact CG-CD2 3.75Å; K117-F204 HydrophobicContact CG-CE1 4.5Å; K117-F204 HydrophobicContact CG-CE2 4.06Å; K117-F204 HydrophobicContact CG-CG 3.83Å; K117-F204 HydrophobicContact CG-CZ 4.43Å; V120-F204 HydrophobicContact CB-CE2 4.01Å; V120-F204 HydrophobicContact CG1-CE2 4.12Å; I121-F204 HydrophobicContact CD1-CB 4.08Å; I121-F204 HydrophobicContact CD1-CD2 4.47Å; I121-F204 HydrophobicContact CG1-CD2 4.32Å; I200-F204 WeakPolarHBondContact O-CB 3.35Å; I200-F204 PolarHBondContact O-N 2.97Å; E202-F204 VanDerWaalsContact C-N 3.35Å; E202-F204 PolarHBondContact O-N 2.92Å; F204-I208 HydrophobicContact CD2-CB 4.06Å; F204-I208 HydrophobicContact CD2-CG1 3.73Å; F204-I208 HydrophobicContact CD2-CG2 4.48Å; F204-I208 HydrophobicContact CE2-CB 3.99Å; F204-I208 HydrophobicContact CE2-CG1 3.94Å; F204-I208 HydrophobicContact CE2-CG2 3.9Å; F204-I208 HydrophobicContact CG-CB 4.47Å; F204-I208 HydrophobicContact CG-CG1 4.41Å; F204-I208 HydrophobicContact CZ-CB 4.33Å; F204-I208 HydrophobicContact CZ-CG2 4.05Å; F204-I208 VanDerWaalsContact O-CB 3.3Å; F204-I208 WeakPolarHBondContact O-CB 3.34Å; F204-I208 PolarHBondContact O-N 3.44Å; F204-L209 HydrophobicContact CD1-CD1 4.32Å; F204-L209 HydrophobicContact CD1-CG 4.22Å; F204-L209 HydrophobicContact CE1-CD1 3.9Å; F204-L209 HydrophobicContact CE1-CD2 4.07Å; F204-L209 HydrophobicContact CE1-CG 3.84Å; F204-L209 HydrophobicContact CZ-CD2 4.4Å; F204-L209 PolarHBondContact O-N 3.05Å
205N93.4Very high93.7Very high11 Ų1133.9 Ų33.96%0.05918%0.177CC..Hα-helixtrans-62.6-43.2176.6-80-56.2000111.8N201 E202 L209 D210 V211N201-N205 PolarHBondContact ND2-ND2 3.2Å; N201-N205 WeakPolarHBondContact O-CB 3.2Å; N201-N205 VanDerWaalsContact O-CG 3.29Å; N201-N205 PolarHBondContact O-N 3.28Å; N201-N205 PolarHBondContact O-ND2 3.45Å; E202-N205 WeakPolarHBondContact O-CB 3.49Å; E202-N205 PolarHBondContact O-N 2.98Å; E202-N205 VanDerWaalsContact O-N 3.16Å; N205-L209 CarbonylContact O-C 3.56Å; N205-L209 PolarHBondContact O-N 3.23Å; N205-D210 PolarHBondContact O-N 2.62Å; N205-V211 HydrophobicContact CB-CB 4.04Å; N205-V211 HydrophobicContact CB-CG2 4.05Å; N205-V211 WeakPolarHBondContact O-CB 3.47Å; N205-V211 PolarHBondContact O-N 3.3Å
206E93.4Very high93.9Very high51 Ų5135.9 Ų35.924%0.23818%0.18CC..Hα-helixtrans-64.4-56.8176.8-175.4-175.5172.900111.9K145 E202 V203 H316K145-E206 WeakPolarHBondContact CE-OE2 3.5Å; K145-E206 IonicContact NZ-OE1 3.08Å; K145-E206 PolarHBondContact NZ-OE1 3.42Å; K145-E206 IonicContact NZ-OE2 2.67Å; K145-E206 PolarHBondContact NZ-OE2 2.88Å; E202-E206 PolarHBondContact O-N 2.87Å; V203-E206 PolarHBondContact O-N 3.48Å; E206-H316 PolarHBondContact O-CE1 3.44Å; E206-H316 PolarHBondContact O-ND1 2.87Å
207L92.9Very high94.1Very high1 Ų135.8 Ų35.81%0.00518%0.179CC..Hα-helixtrans-80.9-32.3-167.6-60.1-175.9000114.3I121 F124 L125 Y141 V203 H316I121-L207 HydrophobicContact CG2-CD1 4.11Å; F124-L207 HydrophobicContact CD1-CB 4.16Å; F124-L207 HydrophobicContact CE1-CB 4.25Å; F124-L207 HydrophobicContact CE1-CD2 4.41Å; L125-L207 HydrophobicContact CD2-CD1 4.48Å; Y141-L207 HydrophobicContact CE1-CD1 4.39Å; Y141-L207 HydrophobicContact CE1-CD2 4.25Å; V203-L207 HydrophobicContact CG1-CD1 3.62Å; V203-L207 HydrophobicContact CG1-CG 4.07Å; V203-L207 WeakPolarHBondContact O-CB 3.49Å; V203-L207 WeakPolarHBondContact O-CG 3.28Å; V203-L207 PolarHBondContact O-N 3.14Å; L207-H316 HydrophobicContact CD2-CB 3.64Å; L207-H316 PolarHBondContact O-NE2 3.12Å
208I92Very high94.1Very high37 Ų3736.6 Ų36.619%0.1918%0.18CC..THydrogen-bonded Turntrans-106.9-39.6-172.1-51.6-54.6000111.7V120 I121 F124 F204V120-I208 HydrophobicContact CG1-CD1 4.03Å; V120-I208 HydrophobicContact CG1-CG1 4.06Å; V120-I208 HydrophobicContact CG1-CG2 3.71Å; I121-I208 HydrophobicContact CG1-CD1 4.37Å; I121-I208 HydrophobicContact CG1-CG1 4.03Å; F124-I208 HydrophobicContact CB-CD1 3.46Å; F124-I208 VanDerWaalsContact CB-CD1 3.46Å; F124-I208 HydrophobicContact CD1-CD1 4.4Å; F124-I208 HydrophobicContact CG-CD1 3.91Å; F204-I208 HydrophobicContact CD2-CB 4.06Å; F204-I208 HydrophobicContact CD2-CG1 3.73Å; F204-I208 HydrophobicContact CD2-CG2 4.48Å; F204-I208 HydrophobicContact CE2-CB 3.99Å; F204-I208 HydrophobicContact CE2-CG1 3.94Å; F204-I208 HydrophobicContact CE2-CG2 3.9Å; F204-I208 HydrophobicContact CG-CB 4.47Å; F204-I208 HydrophobicContact CG-CG1 4.41Å; F204-I208 HydrophobicContact CZ-CB 4.33Å; F204-I208 HydrophobicContact CZ-CG2 4.05Å; F204-I208 VanDerWaalsContact O-CB 3.3Å; F204-I208 WeakPolarHBondContact O-CB 3.34Å; F204-I208 PolarHBondContact O-N 3.44Å
209L91.4Very high94.1Very high33 Ų3331.9 Ų31.917%0.17316%0.156CC..SBendtrans-98.25.7-177.1-54.2-166.6000114I88 F204 N205 V211 K235I88-L209 HydrophobicContact CD1-CD1 4.35Å; I88-L209 HydrophobicContact CD1-CD2 3.68Å; I88-L209 HydrophobicContact CG1-CD2 4Å; F204-L209 HydrophobicContact CD1-CD1 4.32Å; F204-L209 HydrophobicContact CD1-CG 4.22Å; F204-L209 HydrophobicContact CE1-CD1 3.9Å; F204-L209 HydrophobicContact CE1-CD2 4.07Å; F204-L209 HydrophobicContact CE1-CG 3.84Å; F204-L209 HydrophobicContact CZ-CD2 4.4Å; F204-L209 PolarHBondContact O-N 3.05Å; N205-L209 CarbonylContact O-C 3.56Å; N205-L209 PolarHBondContact O-N 3.23Å; L209-V211 HydrophobicContact CB-CG2 4.18Å; L209-V211 PolarHBondContact O-N 2.87Å; L209-K235 WeakPolarHBondContact O-CD 3.23Å; L209-K235 WeakPolarHBondContact O-CE 3.13Å; L209-K235 PolarHBondContact O-NZ 2.69Å
210D92.4Very high94Very high34 Ų3432.9 Ų32.918%0.18216%0.161CC..  trans56.429.8-178.9-65.2-69.7000114.4N205 L212 K235 P236 P314 H316 K317N205-D210 PolarHBondContact O-N 2.62Å; D210-L212 PolarHBondContact O-N 2.67Å; D210-K235 WeakPolarHBondContact O-CA 3.31Å; D210-P236 HydrophobicContact CB-CG 3.91Å; D210-P236 WeakPolarHBondContact O-CD 3.36Å; D210-P314 VanDerWaalsContact OD1-CG 3.31Å; D210-P314 WeakPolarHBondContact OD1-CG 3.5Å; D210-H316 IonicContact OD1-CE1 2.59Å; D210-H316 PolarHBondContact OD1-CE1 3.1Å; D210-H316 IonicContact OD1-NE2 2.78Å; D210-H316 PolarHBondContact OD1-NE2 3.19Å; D210-K317 IonicContact OD1-NZ 2.7Å; D210-K317 PolarHBondContact OD1-NZ 3Å; D210-K317 IonicContact OD2-NZ 2.69Å; D210-K317 PolarHBondContact OD2-NZ 3.02Å
211V94.1Very high93.6Very high11 Ų1134 Ų347%0.06717%0.173CC..  trans-78.2105.4178.4179.70000109.8N205 L209 Q214 V233N205-V211 HydrophobicContact CB-CB 4.04Å; N205-V211 HydrophobicContact CB-CG2 4.05Å; N205-V211 WeakPolarHBondContact O-CB 3.47Å; N205-V211 PolarHBondContact O-N 3.3Å; L209-V211 HydrophobicContact CB-CG2 4.18Å; L209-V211 PolarHBondContact O-N 2.87Å; V211-Q214 HydrophobicContact CG1-CB 4.05Å; V211-Q214 HydrophobicContact CG1-CG 4.14Å; V211-V233 HydrophobicContact CB-CG1 4.37Å; V211-V233 HydrophobicContact CG1-CG1 3.82Å; V211-V233 HydrophobicContact CG2-CG1 3.72Å
212L93.8Very high92.7Very high47 Ų4738.2 Ų38.225%0.24619%0.19CC..  trans-82.7-27.6-178.5-53.5179.6000112.5D210 L234 P236 T304D210-L212 PolarHBondContact O-N 2.67Å; L212-L234 HydrophobicContact CB-CD2 4.17Å; L212-L234 HydrophobicContact CB-CG 4.14Å; L212-L234 PolarHBondContact N-O 3.39Å; L212-P236 HydrophobicContact CD1-CG 4.32Å; L212-T304 HydrophobicContact CD1-CG2 4.01Å; L212-T304 WeakPolarHBondContact CD1-OG1 3.26Å
213K94.4Very high91.8Very high42 Ų4244.9 Ų44.918%0.18321%0.211CC..EExtended strand (participates in β ladder)trans-161.6145.4170.9-161168.4-17868.70111.2L234 E296 W297 A300K213-L234 HydrophobicContact CB-CB 4.27Å; K213-L234 HydrophobicContact CB-CD2 4.14Å; K213-L234 PolarHBondContact O-N 2.95Å; K213-E296 IonicContact NZ-OE2 3.49Å; K213-E296 PolarHBondContact NZ-OE2 2.85Å; K213-W297 HydrophobicContact CB-CE3 4.34Å; K213-W297 HydrophobicContact CB-CH2 4.21Å; K213-W297 HydrophobicContact CB-CZ3 4.05Å; K213-W297 HydrophobicContact CD-CD2 3.68Å; K213-W297 HydrophobicContact CD-CE3 3.92Å; K213-W297 HydrophobicContact CD-CG 4.02Å; K213-W297 HydrophobicContact CD-CZ2 4.44Å; K213-W297 HydrophobicContact CD-CZ3 4.4Å; K213-W297 HydrophobicContact CG-CD2 4.2Å; K213-W297 HydrophobicContact CG-CE3 4.24Å; K213-W297 HydrophobicContact CG-CH2 4.14Å; K213-W297 HydrophobicContact CG-CZ2 4.08Å; K213-W297 HydrophobicContact CG-CZ3 4.22Å; K213-A300 HydrophobicContact CB-CB 4.28Å; K213-A300 HydrophobicContact CD-CB 3.88Å
214Q94.9Very high90.9Very high49 Ų4954.6 Ų54.623%0.22925%0.247CC..EExtended strand (participates in β ladder)trans-140.7162.6172.858.5-176.7-7.500112.8V211 W231 F232 V233V211-Q214 HydrophobicContact CG1-CB 4.05Å; V211-Q214 HydrophobicContact CG1-CG 4.14Å; Q214-W231 HydrophobicContact CB-CZ2 3.75Å; Q214-W231 HydrophobicContact CG-CH2 4.45Å; Q214-W231 HydrophobicContact CG-CZ2 3.72Å; Q214-F232 WeakPolarHBondContact CA-O 3.43Å; Q214-V233 HydrophobicContact CB-CG2 4.43Å
215G95Very high90.4Very high13 Ų1362 Ų6213%0.13428%0.279CS..EExtended strand (participates in β ladder)trans152.3162.7179.700000114.7W231 F232G215-W231 VanDerWaalsContact C-CE3 3.42Å; G215-W231 VanDerWaalsContact CA-CZ3 3.45Å; G215-F232 PolarHBondContact N-O 3.02Å; G215-F232 VanDerWaalsContact N-O 3.12Å; G215-F232 PolarHBondContact O-N 2.96Å
216Y95.9Very high90.2Very high84 Ų8466.7 Ų66.733%0.32931%0.305SS..EExtended strand (participates in β ladder)trans-69.9135.6171.4-68-73.4000112E229 R230 W231 E245Y216-E229 HydrophobicContact CD1-CG 3.94Å; Y216-E229 HydrophobicContact CG-CG 4.39Å; Y216-R230 WeakPolarHBondContact CA-O 3.31Å; Y216-W231 HydrophobicContact CD1-CB 4.22Å; Y216-W231 AromaticContact CD1-CE3 3.97Å; Y216-W231 HydrophobicContact CD1-CE3 3.97Å; Y216-W231 AromaticContact CD2-CE3 3.53Å; Y216-W231 HydrophobicContact CD2-CE3 3.53Å; Y216-W231 AromaticContact CD2-CZ3 3.63Å; Y216-W231 HydrophobicContact CD2-CZ3 3.63Å; Y216-W231 HydrophobicContact CE1-CB 3.96Å; Y216-W231 AromaticContact CE1-CE3 3.9Å; Y216-W231 HydrophobicContact CE1-CE3 3.9Å; Y216-W231 AromaticContact CE2-CE3 3.44Å; Y216-W231 HydrophobicContact CE2-CE3 3.44Å; Y216-W231 VanDerWaalsContact CE2-CE3 3.44Å; Y216-W231 AromaticContact CE2-CZ3 3.55Å; Y216-W231 HydrophobicContact CE2-CZ3 3.55Å; Y216-W231 AromaticContact CG-CE3 3.77Å; Y216-W231 HydrophobicContact CG-CE3 3.77Å; Y216-W231 HydrophobicContact CG-CZ3 4.28Å; Y216-W231 AromaticContact CZ-CE3 3.62Å; Y216-E245 WeakPolarHBondContact CE2-OE2 3.39Å; Y216-E245 VanDerWaalsContact CZ-OE2 3.29Å; Y216-E245 WeakPolarHBondContact OH-CB 3.33Å; Y216-E245 WeakPolarHBondContact OH-CG 3.17Å; Y216-E245 PolarHBondContact OH-N 3.41Å; Y216-E245 VanDerWaalsContact OH-N 3.1Å; Y216-E245 PolarHBondContact OH-OE2 2.85Å
217M95.9Very high90.1Very high5 Ų566.3 Ų66.33%0.02530%0.301CS..EExtended strand (participates in β ladder)trans-144155.3168.2-66.2-170.9-73.500111.1K219 R230 F232 F275 I286 W297M217-K219 PolarHBondContact O-N 3.23Å; M217-R230 PolarHBondContact N-O 2.89Å; M217-R230 PolarHBondContact O-N 3.37Å; M217-F232 HydrophobicContact CB-CD2 3.79Å; M217-F232 HydrophobicContact CB-CE2 3.85Å; M217-F232 HydrophobicContact CE-CB 3.74Å; M217-F232 HydrophobicContact CE-CD1 4.07Å; M217-F232 HydrophobicContact CE-CD2 3.76Å; M217-F232 HydrophobicContact CE-CE2 4.31Å; M217-F232 HydrophobicContact CE-CG 3.6Å; M217-F232 HydrophobicContact CG-CD2 4.47Å; M217-F275 HydrophobicContact CE-CZ 4.12Å; M217-F275 HydrophobicContact SD-CE1 3.81Å; M217-F275 HydrophobicContact SD-CZ 3.7Å; M217-I286 HydrophobicContact CB-CG2 3.78Å; M217-I286 HydrophobicContact CE-CG2 4.05Å; M217-I286 HydrophobicContact CG-CG2 4.38Å; M217-I286 HydrophobicContact SD-CG2 3.75Å; M217-W297 HydrophobicContact CE-CD2 3.53Å; M217-W297 HydrophobicContact CE-CE3 3.73Å; M217-W297 HydrophobicContact CE-CG 4.08Å; M217-W297 HydrophobicContact CE-CH2 3.91Å; M217-W297 HydrophobicContact CE-CZ2 3.72Å; M217-W297 HydrophobicContact CE-CZ3 3.91Å; M217-W297 HydrophobicContact SD-CB 4.36Å; M217-W297 VanDerWaalsContact SD-CD1 3.53Å; M217-W297 HydrophobicContact SD-CD2 3.77Å; M217-W297 HydrophobicContact SD-CG 3.68Å; M217-W297 HydrophobicContact SD-CZ2 4.39Å
218M94.3Very high90.1Very high47 Ų4768.8 Ų68.823%0.23232%0.316CS..EExtended strand (participates in β ladder)trans-84.3113.4176.6-75.1-69-92.700109.9W227 E229 I286 S287M218-W227 HydrophobicContact CB-CE3 4.19Å; M218-W227 HydrophobicContact CE-CB 3.82Å; M218-W227 WeakPolarHBondContact O-CZ3 3.44Å; M218-E229 VanDerWaalsContact SD-CA 3.56Å; M218-E229 HydrophobicContact SD-CB 3.7Å; M218-E229 PolarHBondContact SD-N 3.39Å; M218-I286 WeakPolarHBondContact O-CA 3.48Å; M218-S287 PolarHBondContact N-O 3.37Å; M218-S287 PolarHBondContact O-N 2.88Å
219K93.9Very high90.2Very high17 Ų1772.3 Ų72.37%0.07433%0.332CS..EExtended strand (participates in β ladder)trans-97.1137.5178.5-167.4-176.3-179.3-62.70111.3M217 W227 T228 R230 F232 Y241M217-K219 PolarHBondContact O-N 3.23Å; K219-W227 WeakPolarHBondContact O-CA 3.41Å; K219-T228 PolarHBondContact N-O 2.89Å; K219-T228 PolarHBondContact O-N 2.92Å; K219-R230 HydrophobicContact CB-CG 4.35Å; K219-F232 HydrophobicContact CB-CE2 4.09Å; K219-F232 HydrophobicContact CB-CZ 3.82Å; K219-F232 HydrophobicContact CD-CZ 3.91Å; K219-F232 HydrophobicContact CG-CZ 3.9Å; K219-Y241 HydrophobicContact CD-CD1 4.28Å; K219-Y241 HydrophobicContact CD-CD2 4.07Å; K219-Y241 HydrophobicContact CD-CE1 4.17Å; K219-Y241 HydrophobicContact CD-CE2 3.97Å; K219-Y241 HydrophobicContact CD-CG 4.25Å
220K92.5Very high90.5Very high22 Ų2273.6 Ų73.610%0.09633%0.334CS..EExtended strand (participates in β ladder)trans-79.3135.7168.9-147.1171-160.9164.70111.3W227 D269 E285K220-W227 HydrophobicContact CB-CD2 4.28Å; K220-W227 HydrophobicContact CB-CE3 3.98Å; K220-W227 HydrophobicContact CB-CH2 3.84Å; K220-W227 HydrophobicContact CB-CZ2 4.17Å; K220-W227 HydrophobicContact CB-CZ3 3.75Å; K220-W227 HydrophobicContact CD-CH2 3.91Å; K220-W227 HydrophobicContact CD-CZ2 3.59Å; K220-W227 HydrophobicContact CG-CD2 4.18Å; K220-W227 HydrophobicContact CG-CE3 4.39Å; K220-W227 HydrophobicContact CG-CH2 4.13Å; K220-W227 HydrophobicContact CG-CZ2 3.93Å; K220-W227 HydrophobicContact CG-CZ3 4.36Å; K220-D269 IonicContact NZ-OD2 2.66Å; K220-D269 PolarHBondContact NZ-OD2 2.77Å; K220-E285 HydrophobicContact CB-CB 3.96Å; K220-E285 WeakPolarHBondContact CB-O 3.19Å; K220-E285 HydrophobicContact CD-CB 3.93Å; K220-E285 VanDerWaalsContact CD-CD 3.47Å; K220-E285 HydrophobicContact CD-CG 4.23Å; K220-E285 WeakPolarHBondContact CD-OE1 3.47Å; K220-E285 PolarHBondContact N-O 2.67Å; K220-E285 IonicContact NZ-OE1 3.89Å; K220-E285 PolarHBondContact NZ-OE1 3.1Å; K220-E285 IonicContact NZ-OE2 3.68Å; K220-E285 PolarHBondContact NZ-OE2 3.4Å
221G86.5Confident90.7Very high26 Ų2673.5 Ų73.527%0.26833%0.332SS..PPolyproline II helixtrans-74.7138.317200000111.8R224 N226G221-R224 CarbonylContact C-O 3.45Å; G221-R224 VanDerWaalsContact C-O 3.22Å; G221-R224 WeakPolarHBondContact CA-O 3.46Å; G221-R224 CarbonylContact O-C 3.59Å; G221-R224 VanDerWaalsContact O-O 3.08Å; G221-N226 PolarHBondContact N-O 3.46Å
222H75.9Confident90.8Very high151 Ų15173 Ų7370%0.69933%0.329SS*.SBendtrans-80.3-42.5-175.6-174.186.4000112.4
223R75.3Confident91Very high247 Ų24771 Ų7193%0.93232%0.318SS*.SBendtrans-82.9-42.3175.9-77.6-174.5170-174.5-3.6113.8
224R76.6Confident91.1Very high205 Ų20569 Ų6977%0.77431%0.309SS*.SBendtrans-114.9121.3171.4-66.2-178.3179.8175.3-0.5106.9G221 N226G221-R224 CarbonylContact C-O 3.45Å; G221-R224 VanDerWaalsContact C-O 3.22Å; G221-R224 WeakPolarHBondContact CA-O 3.46Å; G221-R224 CarbonylContact O-C 3.59Å; G221-R224 VanDerWaalsContact O-O 3.08Å; R224-N226 PolarHBondContact O-N 2.97Å
225K83.7Confident91Very high169 Ų16969.5 Ų69.574%0.73531%0.311SS*.  trans-71.122.3-172.6-65.8-176.4178178.20114.7
226N88.6Confident90.9Very high110 Ų11070.5 Ų70.559%0.58832%0.315SS*.  trans-70.2152.8177.3-61.434.3000110.1G221 R224G221-N226 PolarHBondContact N-O 3.46Å; R224-N226 PolarHBondContact O-N 2.97Å
227W91.7Very high90.6Very high42 Ų4271 Ų7116%0.15932%0.323CS..EExtended strand (participates in β ladder)trans-96.8130.9171.8-67.296000110.2M218 K219 K220 K271 L274 E285M218-W227 HydrophobicContact CB-CE3 4.19Å; M218-W227 HydrophobicContact CE-CB 3.82Å; M218-W227 WeakPolarHBondContact O-CZ3 3.44Å; K219-W227 WeakPolarHBondContact O-CA 3.41Å; K220-W227 HydrophobicContact CB-CD2 4.28Å; K220-W227 HydrophobicContact CB-CE3 3.98Å; K220-W227 HydrophobicContact CB-CH2 3.84Å; K220-W227 HydrophobicContact CB-CZ2 4.17Å; K220-W227 HydrophobicContact CB-CZ3 3.75Å; K220-W227 HydrophobicContact CD-CH2 3.91Å; K220-W227 HydrophobicContact CD-CZ2 3.59Å; K220-W227 HydrophobicContact CG-CD2 4.18Å; K220-W227 HydrophobicContact CG-CE3 4.39Å; K220-W227 HydrophobicContact CG-CH2 4.13Å; K220-W227 HydrophobicContact CG-CZ2 3.93Å; K220-W227 HydrophobicContact CG-CZ3 4.36Å; W227-K271 HydrophobicContact CD2-CG 4.02Å; W227-K271 HydrophobicContact CG-CG 4.17Å; W227-K271 HydrophobicContact CZ2-CB 4.35Å; W227-K271 HydrophobicContact CZ2-CG 4.1Å; W227-L274 HydrophobicContact CH2-CD2 3.27Å; W227-L274 HydrophobicContact CZ2-CD2 3.72Å; W227-L274 HydrophobicContact CZ3-CD2 4.12Å; W227-E285 HydrophobicContact CH2-CB 4.31Å; W227-E285 HydrophobicContact CH2-CG 3.97Å; W227-E285 WeakPolarHBondContact CH2-OE1 3.39Å; W227-E285 WeakPolarHBondContact CZ2-OE1 3.37Å
228T93.1Very high90.6Very high53 Ų5372.1 Ų72.133%0.32533%0.329SS..EExtended strand (participates in β ladder)trans-131.7134.7175.259.40000110.4K219K219-T228 PolarHBondContact N-O 2.89Å; K219-T228 PolarHBondContact O-N 2.92Å
229E94.9Very high90.7Very high111 Ų11170 Ų7052%0.51932%0.319SS..EExtended strand (participates in β ladder)trans-66.8137.4172.2-171.4155.8-11500110.5Y216 M218Y216-E229 HydrophobicContact CD1-CG 3.94Å; Y216-E229 HydrophobicContact CG-CG 4.39Å; M218-E229 VanDerWaalsContact SD-CA 3.56Å; M218-E229 HydrophobicContact SD-CB 3.7Å; M218-E229 PolarHBondContact SD-N 3.39Å
230R96.1Very high90.8Very high60 Ų6069.5 Ų69.523%0.22632%0.317CS..EExtended strand (participates in β ladder)trans-144.1144.6178-64.9-64.3169.4-11911108.9Y216 M217 K219 F232 Y241 Y242Y216-R230 WeakPolarHBondContact CA-O 3.31Å; M217-R230 PolarHBondContact N-O 2.89Å; M217-R230 PolarHBondContact O-N 3.37Å; K219-R230 HydrophobicContact CB-CG 4.35Å; R230-F232 HydrophobicContact CB-CD2 4.25Å; R230-F232 HydrophobicContact CB-CE2 3.93Å; R230-F232 WeakPolarHBondContact O-CD2 3.37Å; R230-Y241 HydrophobicContact CG-CD2 4.26Å; R230-Y242 VanDerWaalsContact CA-O 3.32Å; R230-Y242 WeakPolarHBondContact CA-O 3.46Å; R230-Y242 VanDerWaalsContact CB-O 3.3Å; R230-Y242 WeakPolarHBondContact CB-O 3.24Å; R230-Y242 WeakPolarHBondContact CD-O 3.1Å
231W96.6Very high90.9Very high33 Ų3370.1 Ų70.113%0.12532%0.319CS..EExtended strand (participates in β ladder)trans-75.3125.1165-174.7-104.2000108.9Q214 G215 Y216 Y241 Y242 E245Q214-W231 HydrophobicContact CB-CZ2 3.75Å; Q214-W231 HydrophobicContact CG-CH2 4.45Å; Q214-W231 HydrophobicContact CG-CZ2 3.72Å; G215-W231 VanDerWaalsContact C-CE3 3.42Å; G215-W231 VanDerWaalsContact CA-CZ3 3.45Å; Y216-W231 HydrophobicContact CD1-CB 4.22Å; Y216-W231 AromaticContact CD1-CE3 3.97Å; Y216-W231 HydrophobicContact CD1-CE3 3.97Å; Y216-W231 AromaticContact CD2-CE3 3.53Å; Y216-W231 HydrophobicContact CD2-CE3 3.53Å; Y216-W231 AromaticContact CD2-CZ3 3.63Å; Y216-W231 HydrophobicContact CD2-CZ3 3.63Å; Y216-W231 HydrophobicContact CE1-CB 3.96Å; Y216-W231 AromaticContact CE1-CE3 3.9Å; Y216-W231 HydrophobicContact CE1-CE3 3.9Å; Y216-W231 AromaticContact CE2-CE3 3.44Å; Y216-W231 HydrophobicContact CE2-CE3 3.44Å; Y216-W231 VanDerWaalsContact CE2-CE3 3.44Å; Y216-W231 AromaticContact CE2-CZ3 3.55Å; Y216-W231 HydrophobicContact CE2-CZ3 3.55Å; Y216-W231 AromaticContact CG-CE3 3.77Å; Y216-W231 HydrophobicContact CG-CE3 3.77Å; Y216-W231 HydrophobicContact CG-CZ3 4.28Å; Y216-W231 AromaticContact CZ-CE3 3.62Å; W231-Y241 CarbonylContact O-C 3.52Å; W231-Y241 VanDerWaalsContact O-CA 3.26Å; W231-Y241 WeakPolarHBondContact O-CA 3.22Å; W231-Y242 PolarHBondContact N-O 3.02Å; W231-Y242 VanDerWaalsContact N-O 3.08Å; W231-Y242 PolarHBondContact O-N 3.31Å; W231-E245 HydrophobicContact CD2-CB 3.75Å; W231-E245 HydrophobicContact CE3-CB 3.84Å; W231-E245 HydrophobicContact CG-CB 4.25Å; W231-E245 HydrophobicContact CH2-CB 4.13Å; W231-E245 HydrophobicContact CZ2-CB 4.05Å; W231-E245 HydrophobicContact CZ3-CB 4.02Å
232F97.3Very high91.4Very high1 Ų170.2 Ų70.20%0.00431%0.312CS..EExtended strand (participates in β ladder)trans-105.7143.8175.5-78.2-100.9000110.4Q214 G215 M217 K219 R230 I239 Y241 I254 I286 W297Q214-F232 WeakPolarHBondContact CA-O 3.43Å; G215-F232 PolarHBondContact N-O 3.02Å; G215-F232 VanDerWaalsContact N-O 3.12Å; G215-F232 PolarHBondContact O-N 2.96Å; M217-F232 HydrophobicContact CB-CD2 3.79Å; M217-F232 HydrophobicContact CB-CE2 3.85Å; M217-F232 HydrophobicContact CE-CB 3.74Å; M217-F232 HydrophobicContact CE-CD1 4.07Å; M217-F232 HydrophobicContact CE-CD2 3.76Å; M217-F232 HydrophobicContact CE-CE2 4.31Å; M217-F232 HydrophobicContact CE-CG 3.6Å; M217-F232 HydrophobicContact CG-CD2 4.47Å; K219-F232 HydrophobicContact CB-CE2 4.09Å; K219-F232 HydrophobicContact CB-CZ 3.82Å; K219-F232 HydrophobicContact CD-CZ 3.91Å; K219-F232 HydrophobicContact CG-CZ 3.9Å; R230-F232 HydrophobicContact CB-CD2 4.25Å; R230-F232 HydrophobicContact CB-CE2 3.93Å; R230-F232 WeakPolarHBondContact O-CD2 3.37Å; F232-I239 HydrophobicContact CD1-CG2 3.9Å; F232-Y241 HydrophobicContact CE1-CD1 4.24Å; F232-Y241 HydrophobicContact CE1-CG 4.28Å; F232-I254 HydrophobicContact CE1-CD1 4.35Å; F232-I286 HydrophobicContact CE1-CD1 3.74Å; F232-I286 HydrophobicContact CZ-CD1 3.9Å; F232-I286 HydrophobicContact CZ-CG1 4.21Å; F232-I286 HydrophobicContact CZ-CG2 4.38Å; F232-W297 HydrophobicContact CB-CH2 3.75Å; F232-W297 HydrophobicContact CB-CZ2 4.26Å; F232-W297 HydrophobicContact CB-CZ3 4.37Å
233V97Very high92.3Very high4 Ų465.7 Ų65.72%0.02429%0.294CS..EExtended strand (participates in β ladder)trans-131.7112.9175.5-176.60000108.1V211 Q214 K235 I239 S240 Y242 L247V211-V233 HydrophobicContact CB-CG1 4.37Å; V211-V233 HydrophobicContact CG1-CG1 3.82Å; V211-V233 HydrophobicContact CG2-CG1 3.72Å; Q214-V233 HydrophobicContact CB-CG2 4.43Å; V233-K235 HydrophobicContact CG1-CG 4.28Å; V233-I239 CarbonylContact O-C 3.55Å; V233-I239 WeakPolarHBondContact O-CA 3.49Å; V233-S240 PolarHBondContact N-O 2.88Å; V233-S240 PolarHBondContact O-N 3.23Å; V233-Y242 HydrophobicContact CB-CE2 4.34Å; V233-Y242 HydrophobicContact CG2-CD2 4.22Å; V233-Y242 HydrophobicContact CG2-CE2 3.93Å; V233-L247 HydrophobicContact CG2-CD2 3.81Å
234L96.6Very high93.2Very high0 Ų055.5 Ų55.50%026%0.261CS..EExtended strand (participates in β ladder)trans-88.6124.7173.8172.467.2000109.7L212 K213 I239 L256 W297 A300 I301 T304L212-L234 HydrophobicContact CB-CD2 4.17Å; L212-L234 HydrophobicContact CB-CG 4.14Å; L212-L234 PolarHBondContact N-O 3.39Å; K213-L234 HydrophobicContact CB-CB 4.27Å; K213-L234 HydrophobicContact CB-CD2 4.14Å; K213-L234 PolarHBondContact O-N 2.95Å; L234-I239 HydrophobicContact CB-CG2 4.44Å; L234-I239 HydrophobicContact CD1-CD1 4.16Å; L234-I239 HydrophobicContact CD1-CG1 3.81Å; L234-L256 HydrophobicContact CD1-CD1 3.68Å; L234-W297 HydrophobicContact CB-CZ3 3.96Å; L234-A300 HydrophobicContact CD2-CB 3.69Å; L234-I301 HydrophobicContact CD1-CG1 4.27Å; L234-I301 HydrophobicContact CD2-CG1 4.14Å; L234-T304 HydrophobicContact CD1-CG2 4.2Å
235K94.3Very high93.9Very high60 Ų6051.3 Ų51.326%0.26125%0.25SS..EExtended strand (participates in β ladder)trans-123.7168.8171.5-65.8-161.8179.5-151.50109.5L209 D210 V233 N237 I238L209-K235 WeakPolarHBondContact O-CD 3.23Å; L209-K235 WeakPolarHBondContact O-CE 3.13Å; L209-K235 PolarHBondContact O-NZ 2.69Å; D210-K235 WeakPolarHBondContact O-CA 3.31Å; V233-K235 HydrophobicContact CG1-CG 4.28Å; K235-N237 PolarHBondContact O-N 3.19Å; K235-I238 HydrophobicContact CB-CG2 3.83Å; K235-I238 PolarHBondContact N-O 2.99Å; K235-I238 PolarHBondContact O-N 2.73Å; K235-I238 VanDerWaalsContact O-O 3.12Å
236P91.4Very high94Very high33 Ų3346.5 Ų46.521%0.21423%0.233CC..THydrogen-bonded Turntrans-58.2-27.6-166.5-27.936.1000115.7D210 L212 T304 L308 P314D210-P236 HydrophobicContact CB-CG 3.91Å; D210-P236 WeakPolarHBondContact O-CD 3.36Å; L212-P236 HydrophobicContact CD1-CG 4.32Å; P236-T304 WeakPolarHBondContact O-CG2 3.45Å; P236-L308 WeakPolarHBondContact O-CD1 3.49Å; P236-L308 WeakPolarHBondContact O-CD2 3.28Å; P236-L308 WeakPolarHBondContact O-CG 3.29Å; P236-P314 HydrophobicContact CB-CG 4.36Å; P236-P314 HydrophobicContact CG-CB 4.22Å; P236-P314 HydrophobicContact CG-CG 3.65Å
237N91.3Very high94Very high95 Ų9544.2 Ų44.251%0.50822%0.22SC..THydrogen-bonded Turntrans-124.95-178.363.9-13.3000113.8K235 L256 L308K235-N237 PolarHBondContact O-N 3.19Å; N237-L256 PolarHBondContact O-N 2.85Å; N237-L308 HydrophobicContact CB-CD2 4.35Å
238I94.6Very high93.8Very high29 Ų2950.1 Ų50.115%0.14925%0.247CC..EExtended strand (participates in β ladder)trans-159.5139.8-169.4-164.1168.3000112.4K235 D253 I254 L255K235-I238 HydrophobicContact CB-CG2 3.83Å; K235-I238 PolarHBondContact N-O 2.99Å; K235-I238 PolarHBondContact O-N 2.73Å; K235-I238 VanDerWaalsContact O-O 3.12Å; I238-D253 HydrophobicContact CD1-CB 3.83Å; I238-D253 VanDerWaalsContact CD1-OD1 3.29Å; I238-D253 WeakPolarHBondContact CD1-OD1 3.37Å; I238-D253 HydrophobicContact CG1-CB 4.06Å; I238-I254 CarbonylContact C-O 3.22Å; I238-I254 WeakPolarHBondContact CA-O 3.41Å; I238-L255 HydrophobicContact CD1-CD2 3.79Å; I238-L255 HydrophobicContact CG1-CD2 4.06Å
239I96.3Very high93.8Very high2 Ų251.1 Ų51.11%0.0125%0.25CS..EExtended strand (participates in β ladder)trans-109.2102.6164.5-31.8-175.9000108.6F232 V233 L234 I254 L256 V277 I301F232-I239 HydrophobicContact CD1-CG2 3.9Å; V233-I239 CarbonylContact O-C 3.55Å; V233-I239 WeakPolarHBondContact O-CA 3.49Å; L234-I239 HydrophobicContact CB-CG2 4.44Å; L234-I239 HydrophobicContact CD1-CD1 4.16Å; L234-I239 HydrophobicContact CD1-CG1 3.81Å; I239-I254 HydrophobicContact CB-CB 4.06Å; I239-I254 HydrophobicContact CB-CD1 4.45Å; I239-I254 HydrophobicContact CG1-CB 4.31Å; I239-I254 PolarHBondContact N-O 2.84Å; I239-I254 PolarHBondContact O-N 2.74Å; I239-L256 HydrophobicContact CD1-CD1 4.27Å; I239-L256 HydrophobicContact CD1-CD2 4.12Å; I239-L256 HydrophobicContact CG1-CD1 3.84Å; I239-L256 HydrophobicContact CG1-CD2 4.09Å; I239-L256 HydrophobicContact CG1-CG 3.99Å; I239-V277 HydrophobicContact CD1-CG2 4.45Å; I239-I301 HydrophobicContact CD1-CD1 3.76Å; I239-I301 HydrophobicContact CD1-CG1 3.85Å; I239-I301 HydrophobicContact CD1-CG2 4.35Å
240S96.3Very high93.8Very high7 Ų750.1 Ų50.15%0.04924%0.244CC..EExtended strand (participates in β ladder)trans-82.8146.5173.2-64.50000110.3V233 K250 D253V233-S240 PolarHBondContact N-O 2.88Å; V233-S240 PolarHBondContact O-N 3.23Å; S240-K250 VanDerWaalsContact OG-CE 3.29Å; S240-K250 WeakPolarHBondContact OG-CE 3.41Å; S240-K250 PolarHBondContact OG-NZ 2.87Å; S240-D253 WeakPolarHBondContact CA-OD1 3.41Å; S240-D253 WeakPolarHBondContact CB-OD1 3.44Å; S240-D253 PolarHBondContact OG-OD1 3.08Å
241Y95.9Very high93.7Very high34 Ų3451.6 Ų51.613%0.13325%0.252CS..EExtended strand (participates in β ladder)trans-134141.8173.264.7-93.8000113.4K219 R230 W231 F232 K251 G252 I254K219-Y241 HydrophobicContact CD-CD1 4.28Å; K219-Y241 HydrophobicContact CD-CD2 4.07Å; K219-Y241 HydrophobicContact CD-CE1 4.17Å; K219-Y241 HydrophobicContact CD-CE2 3.97Å; K219-Y241 HydrophobicContact CD-CG 4.25Å; R230-Y241 HydrophobicContact CG-CD2 4.26Å; W231-Y241 CarbonylContact O-C 3.52Å; W231-Y241 VanDerWaalsContact O-CA 3.26Å; W231-Y241 WeakPolarHBondContact O-CA 3.22Å; F232-Y241 HydrophobicContact CE1-CD1 4.24Å; F232-Y241 HydrophobicContact CE1-CG 4.28Å; Y241-K251 HydrophobicContact CD2-CB 3.99Å; Y241-K251 HydrophobicContact CE2-CB 3.74Å; Y241-K251 WeakPolarHBondContact CE2-O 3.38Å; Y241-K251 PolarHBondContact O-N 2.97Å; Y241-K251 PolarHBondContact OH-O 3.22Å; Y241-G252 PolarHBondContact N-O 3.28Å; Y241-G252 PolarHBondContact O-N 3.45Å; Y241-I254 HydrophobicContact CE1-CG1 4.45Å
242Y96.4Very high93.5Very high29 Ų2951 Ų5111%0.11426%0.257CS..EExtended strand (participates in β ladder)trans-129.3168.5-167.5-56.9-99.5000110.2R230 W231 V233 L247 K250R230-Y242 VanDerWaalsContact CA-O 3.32Å; R230-Y242 WeakPolarHBondContact CA-O 3.46Å; R230-Y242 VanDerWaalsContact CB-O 3.3Å; R230-Y242 WeakPolarHBondContact CB-O 3.24Å; R230-Y242 WeakPolarHBondContact CD-O 3.1Å; W231-Y242 PolarHBondContact N-O 3.02Å; W231-Y242 VanDerWaalsContact N-O 3.08Å; W231-Y242 PolarHBondContact O-N 3.31Å; V233-Y242 HydrophobicContact CB-CE2 4.34Å; V233-Y242 HydrophobicContact CG2-CD2 4.22Å; V233-Y242 HydrophobicContact CG2-CE2 3.93Å; Y242-L247 HydrophobicContact CD1-CB 4.27Å; Y242-L247 HydrophobicContact CD1-CD2 4.39Å; Y242-L247 WeakPolarHBondContact CD1-O 3.27Å; Y242-L247 HydrophobicContact CD2-CD2 3.85Å; Y242-L247 HydrophobicContact CE1-CB 4.1Å; Y242-L247 HydrophobicContact CE1-CD2 4.45Å; Y242-L247 WeakPolarHBondContact CE1-O 3.35Å; Y242-L247 HydrophobicContact CE2-CD2 3.94Å; Y242-L247 HydrophobicContact CG-CD2 4.11Å; Y242-K250 VanDerWaalsContact CD1-CA 3.47Å; Y242-K250 HydrophobicContact CD1-CB 3.75Å; Y242-K250 HydrophobicContact CD1-CG 3.97Å; Y242-K250 HydrophobicContact CE1-CB 3.62Å; Y242-K250 HydrophobicContact CE1-CD 4.17Å; Y242-K250 HydrophobicContact CE1-CG 3.6Å
243V94.6Very high93.3Very high55 Ų5553.9 Ų53.933%0.33327%0.272SS..SBendtrans-64.7-44.2169.8178.10000110.9D249 K251V243-D249 HydrophobicContact CB-CB 4.27Å; V243-D249 HydrophobicContact CG2-CB 4.07Å; V243-D249 VanDerWaalsContact CG2-OD2 3.26Å; V243-D249 WeakPolarHBondContact CG2-OD2 3.47Å; V243-D249 PolarHBondContact N-O 2.76Å; V243-D249 VanDerWaalsContact N-O 3.16Å; V243-K251 HydrophobicContact CG2-CD 4.23Å; V243-K251 HydrophobicContact CG2-CG 3.93Å
244S94.3Very high93.2Very high34 Ų3453.8 Ų53.824%0.23827%0.271CS..SBendtrans-142.8163.1-164.932.90000111.1D246 L247S244-D246 WeakPolarHBondContact CB-OD1 3.49Å; S244-D246 PolarHBondContact O-N 3.47Å; S244-D246 PolarHBondContact OG-OD1 3.21Å; S244-L247 PolarHBondContact O-N 3Å
245E90.6Very high93Very high116 Ų11659.4 Ų59.454%0.54230%0.301SS..THydrogen-bonded Turntrans-61.8-13.6175.667.1-157.1-12800115Y216 W231 L247Y216-E245 WeakPolarHBondContact CE2-OE2 3.39Å; Y216-E245 VanDerWaalsContact CZ-OE2 3.29Å; Y216-E245 WeakPolarHBondContact OH-CB 3.33Å; Y216-E245 WeakPolarHBondContact OH-CG 3.17Å; Y216-E245 PolarHBondContact OH-N 3.41Å; Y216-E245 VanDerWaalsContact OH-N 3.1Å; Y216-E245 PolarHBondContact OH-OE2 2.85Å; W231-E245 HydrophobicContact CD2-CB 3.75Å; W231-E245 HydrophobicContact CE3-CB 3.84Å; W231-E245 HydrophobicContact CG-CB 4.25Å; W231-E245 HydrophobicContact CH2-CB 4.13Å; W231-E245 HydrophobicContact CZ2-CB 4.05Å; W231-E245 HydrophobicContact CZ3-CB 4.02Å; E245-L247 WeakPolarHBondContact O-CG 3.46Å; E245-L247 PolarHBondContact O-N 3.41Å
246D86.8Confident93Very high69 Ų6957 Ų5737%0.36929%0.291SS..THydrogen-bonded Turntrans-74.8-2.517981-37.6000114.2S244 K248S244-D246 WeakPolarHBondContact CB-OD1 3.49Å; S244-D246 PolarHBondContact O-N 3.47Å; S244-D246 PolarHBondContact OG-OD1 3.21Å; D246-K248 PolarHBondContact O-N 3.08Å; D246-K248 WeakPolarHBondContact OD2-CD 3.2Å; D246-K248 VanDerWaalsContact OD2-CG 3.3Å; D246-K248 WeakPolarHBondContact OD2-CG 3.4Å; D246-K248 IonicContact OD2-NZ 2.74Å; D246-K248 PolarHBondContact OD2-NZ 3.48Å
247L88.2Confident92.8Very high62 Ų6258 Ų5833%0.32529%0.294SS..  trans570.9174.8-51-173.7000117V233 Y242 S244 E245V233-L247 HydrophobicContact CG2-CD2 3.81Å; Y242-L247 HydrophobicContact CD1-CB 4.27Å; Y242-L247 HydrophobicContact CD1-CD2 4.39Å; Y242-L247 WeakPolarHBondContact CD1-O 3.27Å; Y242-L247 HydrophobicContact CD2-CD2 3.85Å; Y242-L247 HydrophobicContact CE1-CB 4.1Å; Y242-L247 HydrophobicContact CE1-CD2 4.45Å; Y242-L247 WeakPolarHBondContact CE1-O 3.35Å; Y242-L247 HydrophobicContact CE2-CD2 3.94Å; Y242-L247 HydrophobicContact CG-CD2 4.11Å; S244-L247 PolarHBondContact O-N 3Å; E245-L247 WeakPolarHBondContact O-CG 3.46Å; E245-L247 PolarHBondContact O-N 3.41Å
248K87.5Confident92.7Very high166 Ų16659 Ų5972%0.72230%0.296SS*.  trans-65.1-45.4179.7-59.2-169.7-164.185.60111.6D246 K250D246-K248 PolarHBondContact O-N 3.08Å; D246-K248 WeakPolarHBondContact OD2-CD 3.2Å; D246-K248 VanDerWaalsContact OD2-CG 3.3Å; D246-K248 WeakPolarHBondContact OD2-CG 3.4Å; D246-K248 IonicContact OD2-NZ 2.74Å; D246-K248 PolarHBondContact OD2-NZ 3.48Å; K248-K250 PolarHBondContact O-N 3.43Å
249D92.2Very high92.4Very high73 Ų7362.9 Ų62.939%0.3932%0.317SS..SBendtrans-10367.4-161-151.728.9000112V243 K251V243-D249 HydrophobicContact CB-CB 4.27Å; V243-D249 HydrophobicContact CG2-CB 4.07Å; V243-D249 VanDerWaalsContact CG2-OD2 3.26Å; V243-D249 WeakPolarHBondContact CG2-OD2 3.47Å; V243-D249 PolarHBondContact N-O 2.76Å; V243-D249 VanDerWaalsContact N-O 3.16Å; D249-K251 VanDerWaalsContact CG-CE 3.43Å; D249-K251 WeakPolarHBondContact O-CE 3.43Å; D249-K251 IonicContact OD1-NZ 3.78Å; D249-K251 PolarHBondContact OD1-NZ 3.04Å; D249-K251 WeakPolarHBondContact OD2-CE 3.24Å; D249-K251 IonicContact OD2-NZ 2.67Å; D249-K251 PolarHBondContact OD2-NZ 3.44Å
250K95Very high92.3Very high91 Ų9163 Ų6340%0.39632%0.318SS..EExtended strand (participates in β ladder)trans-63.2131.8-177.5-160.1-179-160.9-1640111.6S240 Y242 K248 D253S240-K250 VanDerWaalsContact OG-CE 3.29Å; S240-K250 WeakPolarHBondContact OG-CE 3.41Å; S240-K250 PolarHBondContact OG-NZ 2.87Å; Y242-K250 VanDerWaalsContact CD1-CA 3.47Å; Y242-K250 HydrophobicContact CD1-CB 3.75Å; Y242-K250 HydrophobicContact CD1-CG 3.97Å; Y242-K250 HydrophobicContact CE1-CB 3.62Å; Y242-K250 HydrophobicContact CE1-CD 4.17Å; Y242-K250 HydrophobicContact CE1-CG 3.6Å; K248-K250 PolarHBondContact O-N 3.43Å; K250-D253 WeakPolarHBondContact CE-OD1 3.45Å; K250-D253 WeakPolarHBondContact CE-OD2 3.46Å; K250-D253 IonicContact NZ-OD1 3Å; K250-D253 PolarHBondContact NZ-OD1 3.17Å; K250-D253 IonicContact NZ-OD2 2.7Å; K250-D253 PolarHBondContact NZ-OD2 2.85Å
251K94.3Very high92.1Very high91 Ų9164.5 Ų64.540%0.39633%0.328SS..EExtended strand (participates in β ladder)trans-118.42.1-178.7-56.2-56.8168.4-163.60114.4Y241 V243 D249Y241-K251 HydrophobicContact CD2-CB 3.99Å; Y241-K251 HydrophobicContact CE2-CB 3.74Å; Y241-K251 WeakPolarHBondContact CE2-O 3.38Å; Y241-K251 PolarHBondContact O-N 2.97Å; Y241-K251 PolarHBondContact OH-O 3.22Å; V243-K251 HydrophobicContact CG2-CD 4.23Å; V243-K251 HydrophobicContact CG2-CG 3.93Å; D249-K251 VanDerWaalsContact CG-CE 3.43Å; D249-K251 WeakPolarHBondContact O-CE 3.43Å; D249-K251 IonicContact OD1-NZ 3.78Å; D249-K251 PolarHBondContact OD1-NZ 3.04Å; D249-K251 WeakPolarHBondContact OD2-CE 3.24Å; D249-K251 IonicContact OD2-NZ 2.67Å; D249-K251 PolarHBondContact OD2-NZ 3.44Å
252G92.6Very high92.1Very high21 Ų2163.7 Ų63.722%0.21633%0.327CS..EExtended strand (participates in β ladder)trans149.7-17416600000113.6Y241Y241-G252 PolarHBondContact N-O 3.28Å; Y241-G252 PolarHBondContact O-N 3.45Å
253D94.2Very high92Very high61 Ų6166.7 Ų66.733%0.32634%0.341SS..EExtended strand (participates in β ladder)trans-137.3149-174-70.2-64.9000111.3I238 S240 K250I238-D253 HydrophobicContact CD1-CB 3.83Å; I238-D253 VanDerWaalsContact CD1-OD1 3.29Å; I238-D253 WeakPolarHBondContact CD1-OD1 3.37Å; I238-D253 HydrophobicContact CG1-CB 4.06Å; S240-D253 WeakPolarHBondContact CA-OD1 3.41Å; S240-D253 WeakPolarHBondContact CB-OD1 3.44Å; S240-D253 PolarHBondContact OG-OD1 3.08Å; K250-D253 WeakPolarHBondContact CE-OD1 3.45Å; K250-D253 WeakPolarHBondContact CE-OD2 3.46Å; K250-D253 IonicContact NZ-OD1 3Å; K250-D253 PolarHBondContact NZ-OD1 3.17Å; K250-D253 IonicContact NZ-OD2 2.7Å; K250-D253 PolarHBondContact NZ-OD2 2.85Å
254I93.8Very high92Very high1 Ų167.6 Ų67.61%0.00535%0.351CS..EExtended strand (participates in β ladder)trans-116.799.6167.6-53.3177.4000105.2F232 I238 I239 Y241 L256 V277 C279 F284 I286F232-I254 HydrophobicContact CE1-CD1 4.35Å; I238-I254 CarbonylContact C-O 3.22Å; I238-I254 WeakPolarHBondContact CA-O 3.41Å; I239-I254 HydrophobicContact CB-CB 4.06Å; I239-I254 HydrophobicContact CB-CD1 4.45Å; I239-I254 HydrophobicContact CG1-CB 4.31Å; I239-I254 PolarHBondContact N-O 2.84Å; I239-I254 PolarHBondContact O-N 2.74Å; Y241-I254 HydrophobicContact CE1-CG1 4.45Å; I254-L256 HydrophobicContact CG2-CD2 4.42Å; I254-L256 PolarHBondContact O-N 3.12Å; I254-V277 HydrophobicContact CG2-CG1 4.08Å; I254-C279 WeakPolarHBondContact CG2-SG 3.3Å; I254-F284 HydrophobicContact CB-CD2 4.48Å; I254-F284 HydrophobicContact CB-CE2 4.33Å; I254-F284 HydrophobicContact CD1-CB 3.82Å; I254-F284 HydrophobicContact CD1-CD1 3.79Å; I254-F284 HydrophobicContact CD1-CD2 4.03Å; I254-F284 HydrophobicContact CD1-CE1 4.34Å; I254-F284 HydrophobicContact CD1-CG 3.61Å; I254-F284 HydrophobicContact CG1-CD1 3.82Å; I254-F284 HydrophobicContact CG1-CD2 3.97Å; I254-F284 HydrophobicContact CG1-CE1 3.84Å; I254-F284 HydrophobicContact CG1-CE2 3.99Å; I254-F284 HydrophobicContact CG1-CG 3.89Å; I254-F284 HydrophobicContact CG1-CZ 3.92Å; I254-F284 HydrophobicContact CG2-CD2 3.83Å; I254-F284 HydrophobicContact CG2-CE2 3.85Å; I254-F284 HydrophobicContact CG2-CG 4.49Å; I254-I286 HydrophobicContact CD1-CD1 4.45Å
255L93.3Very high91.9Very high118 Ų11867.5 Ų67.562%0.61835%0.347SS*.EExtended strand (participates in β ladder)trans-65133.7172.6-65.6172.6000108.6I238 C279I238-L255 HydrophobicContact CD1-CD2 3.79Å; I238-L255 HydrophobicContact CG1-CD2 4.06Å; L255-C279 PolarHBondContact O-SG 2.96Å
256L92.6Very high91.9Very high11 Ų1166.6 Ų66.66%0.05835%0.351CS..  trans-102.4128.6174.3-63.3-179.2000108.7L234 N237 I239 I254 V277 T304 I305 L308L234-L256 HydrophobicContact CD1-CD1 3.68Å; N237-L256 PolarHBondContact O-N 2.85Å; I239-L256 HydrophobicContact CD1-CD1 4.27Å; I239-L256 HydrophobicContact CD1-CD2 4.12Å; I239-L256 HydrophobicContact CG1-CD1 3.84Å; I239-L256 HydrophobicContact CG1-CD2 4.09Å; I239-L256 HydrophobicContact CG1-CG 3.99Å; I254-L256 HydrophobicContact CG2-CD2 4.42Å; I254-L256 PolarHBondContact O-N 3.12Å; L256-V277 HydrophobicContact CD2-CG1 4.2Å; L256-T304 HydrophobicContact CD1-CG2 3.87Å; L256-I305 HydrophobicContact CD2-CD1 4.49Å; L256-I305 HydrophobicContact CD2-CG1 4.46Å; L256-L308 HydrophobicContact CB-CD1 3.84Å; L256-L308 WeakPolarHBondContact O-CD1 2.78Å
257D89Confident92Very high52 Ų5267.7 Ų67.728%0.27836%0.357SS..  trans-127.5173.9175.260.148.2000109.7N259 C260D257-N259 PolarHBondContact O-N 3.35Å; D257-N259 VanDerWaalsContact OD1-C 3.3Å; D257-N259 VanDerWaalsContact OD1-CA 3.26Å; D257-N259 WeakPolarHBondContact OD1-CA 3.35Å; D257-N259 WeakPolarHBondContact OD1-CB 3.41Å; D257-N259 PolarHBondContact OD1-N 3.46Å; D257-C260 VanDerWaalsContact CG-SG 3.55Å; D257-C260 PolarHBondContact N-SG 3.1Å; D257-C260 VanDerWaalsContact N-SG 3.39Å; D257-C260 WeakPolarHBondContact O-CB 3.35Å; D257-C260 PolarHBondContact O-N 3.42Å; D257-C260 PolarHBondContact OD1-N 3.05Å; D257-C260 PolarHBondContact OD1-SG 3.26Å
258E88.3Confident92Very high118 Ų11868.2 Ų68.255%0.55136%0.357SS*.THydrogen-bonded Turntrans-62.7-19.6175.564.6-162.5-147.500114.2K309E258-K309 HydrophobicContact CB-CG 3.88Å; E258-K309 WeakPolarHBondContact O-CE 3.39Å; E258-K309 PolarHBondContact O-NZ 3.27Å
259N88.8Confident91.6Very high110 Ų11065.6 Ų65.659%0.58835%0.35SS*.THydrogen-bonded Turntrans-92.3-8.7-179.8-64-71.5000112.5D257D257-N259 PolarHBondContact O-N 3.35Å; D257-N259 VanDerWaalsContact OD1-C 3.3Å; D257-N259 VanDerWaalsContact OD1-CA 3.26Å; D257-N259 WeakPolarHBondContact OD1-CA 3.35Å; D257-N259 WeakPolarHBondContact OD1-CB 3.41Å; D257-N259 PolarHBondContact OD1-N 3.46Å
260C93.3Very high91Very high4 Ų466 Ų663%0.02737%0.372CS..  trans-64.1148.3175.9-71.90000112.2D257 K278 C279 I305D257-C260 VanDerWaalsContact CG-SG 3.55Å; D257-C260 PolarHBondContact N-SG 3.1Å; D257-C260 VanDerWaalsContact N-SG 3.39Å; D257-C260 WeakPolarHBondContact O-CB 3.35Å; D257-C260 PolarHBondContact O-N 3.42Å; D257-C260 PolarHBondContact OD1-N 3.05Å; D257-C260 PolarHBondContact OD1-SG 3.26Å; C260-K278 WeakPolarHBondContact CA-O 3.25Å; C260-C279 VanDerWaalsContact SG-SG 3.68Å; C260-I305 HydrophobicContact CB-CD1 3.72Å; C260-I305 HydrophobicContact CB-CG1 4.1Å
261C92.6Very high90.6Very high39 Ų3964.7 Ų64.726%0.26437%0.366SS..EExtended strand (participates in β ladder)trans-134.1157.5164.864.70000111.4E263 K278C261-E263 PolarHBondContact SG-OE1 3.38Å; C261-K278 PolarHBondContact N-O 2.87Å; C261-K278 PolarHBondContact O-N 3.29Å
262V95.8Very high90.4Very high17 Ų1767.2 Ų67.210%0.10338%0.377CS..EExtended strand (participates in β ladder)trans-123124173.5580000108.9F275 L276 V277 I298 I301 H302V262-F275 HydrophobicContact CG2-CD2 3.9Å; V262-F275 HydrophobicContact CG2-CE2 4.44Å; V262-L276 WeakPolarHBondContact CA-O 3.47Å; V262-V277 HydrophobicContact CG2-CG2 4.26Å; V262-I298 HydrophobicContact CG1-CG2 4.21Å; V262-I298 HydrophobicContact CG2-CB 4.39Å; V262-I298 HydrophobicContact CG2-CG1 4.09Å; V262-I298 HydrophobicContact CG2-CG2 4.29Å; V262-I301 HydrophobicContact CB-CB 4.41Å; V262-I301 HydrophobicContact CB-CG2 3.86Å; V262-I301 HydrophobicContact CG1-CB 4.21Å; V262-I301 HydrophobicContact CG1-CG2 3.95Å; V262-I301 HydrophobicContact CG2-CB 4.44Å; V262-I301 HydrophobicContact CG2-CG2 4.26Å; V262-H302 HydrophobicContact CG1-CB 3.84Å
263E94.3Very high90.5Very high91 Ų9167 Ų6743%0.42537%0.372SS..EExtended strand (participates in β ladder)trans-125.7134.9-169.7-63.6171.4-167.800111C261 L265 F275 L276C261-E263 PolarHBondContact SG-OE1 3.38Å; E263-L265 PolarHBondContact O-N 2.91Å; E263-F275 CarbonylContact O-C 3.41Å; E263-F275 VanDerWaalsContact O-CA 3.25Å; E263-F275 WeakPolarHBondContact O-CA 3.26Å; E263-F275 WeakPolarHBondContact O-CB 3.37Å; E263-L276 HydrophobicContact CB-CD2 4.08Å; E263-L276 HydrophobicContact CB-CG 4.08Å; E263-L276 PolarHBondContact N-O 2.76Å; E263-L276 PolarHBondContact O-N 3.34Å
264S94.1Very high90.4Very high75 Ų7564 Ų6452%0.52436%0.356SS..EExtended strand (participates in β ladder)trans-74.5117.1174.2163.50000110.4K294S264-K294 VanDerWaalsContact OG-CE 3.32Å; S264-K294 WeakPolarHBondContact OG-CE 3.36Å; S264-K294 PolarHBondContact OG-NZ 3.47Å
265L92.1Very high90.5Very high32 Ų3264 Ų6417%0.16836%0.356CS..PPolyproline II helixtrans-88.1153.3172.8-74.8175.6000112.2E263 L274 L276 E285 K294E263-L265 PolarHBondContact O-N 2.91Å; L265-L274 HydrophobicContact CB-CB 3.75Å; L265-L274 HydrophobicContact CD1-CB 4.5Å; L265-L274 PolarHBondContact N-O 3.08Å; L265-L274 VanDerWaalsContact N-O 3.08Å; L265-L276 HydrophobicContact CD1-CB 4.05Å; L265-L276 HydrophobicContact CD1-CD2 4.06Å; L265-L276 HydrophobicContact CD2-CD2 3.72Å; L265-L276 HydrophobicContact CG-CB 4.46Å; L265-L276 HydrophobicContact CG-CD2 3.85Å; L265-E285 HydrophobicContact CD1-CG 3.72Å; L265-K294 PolarHBondContact O-NZ 3.33Å
266P90.5Very high90.6Very high96 Ų9659.5 Ų59.562%0.62333%0.333SS*.PPolyproline II helixtrans-70.1161163.332.4-35.6000111.2L274P266-L274 WeakPolarHBondContact O-CD1 3.47Å
267D89.9Confident90.7Very high92 Ų9259 Ų5949%0.49233%0.33SS..PPolyproline II helixtrans-66.2130.1175.9-66.9-5.8000110.4K271 K272 C273D267-K271 WeakPolarHBondContact CA-O 3.33Å; D267-K272 HydrophobicContact CB-CG 4.4Å; D267-K272 VanDerWaalsContact OD1-CA 3.23Å; D267-K272 WeakPolarHBondContact OD1-CA 3.24Å; D267-K272 WeakPolarHBondContact OD2-CB 3.39Å; D267-K272 WeakPolarHBondContact OD2-CG 3.19Å; D267-C273 PolarHBondContact OD1-N 3.28Å
268K87Confident90.9Very high74 Ų7461.5 Ų61.532%0.32234%0.339SS..BIsolated β-bridgetrans-156.9165.1-17760.6172-171.7179.50111.2G270 K271 L274 E285K268-G270 PolarHBondContact O-N 2.88Å; K268-G270 VanDerWaalsContact O-N 3.1Å; K268-K271 PolarHBondContact N-O 3.18Å; K268-K271 VanDerWaalsContact N-O 3.09Å; K268-K271 PolarHBondContact O-N 2.94Å; K268-K271 VanDerWaalsContact O-O 3.13Å; K268-L274 HydrophobicContact CB-CD1 4.44Å; K268-L274 HydrophobicContact CD-CD1 4.48Å; K268-L274 HydrophobicContact CG-CD1 3.45Å; K268-L274 VanDerWaalsContact CG-CD1 3.45Å; K268-E285 WeakPolarHBondContact CE-OE1 3.32Å; K268-E285 WeakPolarHBondContact CE-OE2 3.41Å; K268-E285 IonicContact NZ-OE1 3.42Å; K268-E285 PolarHBondContact NZ-OE1 3.31Å; K268-E285 IonicContact NZ-OE2 2.75Å; K268-E285 PolarHBondContact NZ-OE2 2.95Å
269D79.2Confident91Very high110 Ų11056.7 Ų56.759%0.58832%0.317SS*.THydrogen-bonded Turntrans5230.8-178.8-53.9-21000113.8K220 K271K220-D269 IonicContact NZ-OD2 2.66Å; K220-D269 PolarHBondContact NZ-OD2 2.77Å; D269-K271 PolarHBondContact O-N 2.76Å
270G80.4Confident90.8Very high82 Ų8259.2 Ų59.285%0.84532%0.324SS*.THydrogen-bonded Turntrans68.84.8-173.500000115.1K268K268-G270 PolarHBondContact O-N 2.88Å; K268-G270 VanDerWaalsContact O-N 3.1Å
271K86.9Confident90.2Very high64 Ų6465.6 Ų65.628%0.27836%0.357SS..BIsolated β-bridgetrans-100.6141.9175.6-66.1-55.7-173.8-177.10111.5W227 D267 K268 D269 L274W227-K271 HydrophobicContact CD2-CG 4.02Å; W227-K271 HydrophobicContact CG-CG 4.17Å; W227-K271 HydrophobicContact CZ2-CB 4.35Å; W227-K271 HydrophobicContact CZ2-CG 4.1Å; D267-K271 WeakPolarHBondContact CA-O 3.33Å; K268-K271 PolarHBondContact N-O 3.18Å; K268-K271 VanDerWaalsContact N-O 3.09Å; K268-K271 PolarHBondContact O-N 2.94Å; K268-K271 VanDerWaalsContact O-O 3.13Å; D269-K271 PolarHBondContact O-N 2.76Å; K271-L274 HydrophobicContact CB-CD1 4.15Å; K271-L274 HydrophobicContact CB-CD2 4.09Å; K271-L274 HydrophobicContact CB-CG 4.23Å; K271-L274 WeakPolarHBondContact O-CD1 3.22Å
272K90.6Very high90Very high144 Ų14469.5 Ų69.563%0.62637%0.37SS*.  trans-110.4170.6177.6-54.8-166.7178.51790110.9D267 L274 S287D267-K272 HydrophobicContact CB-CG 4.4Å; D267-K272 VanDerWaalsContact OD1-CA 3.23Å; D267-K272 WeakPolarHBondContact OD1-CA 3.24Å; D267-K272 WeakPolarHBondContact OD2-CB 3.39Å; D267-K272 WeakPolarHBondContact OD2-CG 3.19Å; K272-L274 PolarHBondContact O-N 3.03Å; K272-S287 PolarHBondContact O-OG 3.43Å
273C93Very high89.8Confident15 Ų1572.7 Ų72.710%0.10139%0.39CS..SBendtrans56.838.7172.6-56.70000112D267 A288 K294D267-C273 PolarHBondContact OD1-N 3.28Å; C273-A288 WeakPolarHBondContact CB-O 3.34Å; C273-A288 PolarHBondContact O-N 3.18Å; C273-A288 VanDerWaalsContact O-N 3.16Å; C273-K294 HydrophobicContact CB-CB 4.3Å; C273-K294 HydrophobicContact CB-CD 4.35Å
274L93.6Very high89.8Confident0 Ų069.6 Ų69.60%038%0.375CS..EExtended strand (participates in β ladder)trans-79.6145-176.9-73.4166000112.5W227 L265 P266 K268 K271 K272 I286 K294W227-L274 HydrophobicContact CH2-CD2 3.27Å; W227-L274 HydrophobicContact CZ2-CD2 3.72Å; W227-L274 HydrophobicContact CZ3-CD2 4.12Å; L265-L274 HydrophobicContact CB-CB 3.75Å; L265-L274 HydrophobicContact CD1-CB 4.5Å; L265-L274 PolarHBondContact N-O 3.08Å; L265-L274 VanDerWaalsContact N-O 3.08Å; P266-L274 WeakPolarHBondContact O-CD1 3.47Å; K268-L274 HydrophobicContact CB-CD1 4.44Å; K268-L274 HydrophobicContact CD-CD1 4.48Å; K268-L274 HydrophobicContact CG-CD1 3.45Å; K268-L274 VanDerWaalsContact CG-CD1 3.45Å; K271-L274 HydrophobicContact CB-CD1 4.15Å; K271-L274 HydrophobicContact CB-CD2 4.09Å; K271-L274 HydrophobicContact CB-CG 4.23Å; K271-L274 WeakPolarHBondContact O-CD1 3.22Å; K272-L274 PolarHBondContact O-N 3.03Å; L274-I286 CarbonylContact C-O 3.55Å; L274-I286 WeakPolarHBondContact CA-O 3.36Å; L274-K294 WeakPolarHBondContact O-CE 3.38Å; L274-K294 PolarHBondContact O-NZ 3.18Å
275F95.8Very high89.8Confident0 Ų067.6 Ų67.60%036%0.357CS..EExtended strand (participates in β ladder)trans-144.9166.2165.967.4-84.4000109.8M217 V262 E263 V277 I286 W297 I298 I301M217-F275 HydrophobicContact CE-CZ 4.12Å; M217-F275 HydrophobicContact SD-CE1 3.81Å; M217-F275 HydrophobicContact SD-CZ 3.7Å; V262-F275 HydrophobicContact CG2-CD2 3.9Å; V262-F275 HydrophobicContact CG2-CE2 4.44Å; E263-F275 CarbonylContact O-C 3.41Å; E263-F275 VanDerWaalsContact O-CA 3.25Å; E263-F275 WeakPolarHBondContact O-CA 3.26Å; E263-F275 WeakPolarHBondContact O-CB 3.37Å; F275-V277 HydrophobicContact CD2-CG2 4.39Å; F275-V277 HydrophobicContact CE2-CG2 4.13Å; F275-I286 HydrophobicContact CD1-CB 4.35Å; F275-I286 HydrophobicContact CD2-CB 4.45Å; F275-I286 HydrophobicContact CE1-CB 3.91Å; F275-I286 HydrophobicContact CE1-CG2 3.68Å; F275-I286 HydrophobicContact CE2-CB 4.03Å; F275-I286 HydrophobicContact CE2-CD1 3.99Å; F275-I286 HydrophobicContact CE2-CG2 4.35Å; F275-I286 HydrophobicContact CZ-CB 3.74Å; F275-I286 HydrophobicContact CZ-CD1 4.12Å; F275-I286 HydrophobicContact CZ-CG2 3.59Å; F275-I286 PolarHBondContact N-O 3.34Å; F275-I286 PolarHBondContact O-N 2.95Å; F275-I286 VanDerWaalsContact O-O 3.04Å; F275-W297 HydrophobicContact CE1-CB 4.4Å; F275-W297 HydrophobicContact CZ-CB 4.13Å; F275-I298 HydrophobicContact CB-CD1 3.91Å; F275-I298 HydrophobicContact CB-CG1 3.99Å; F275-I298 HydrophobicContact CD2-CG1 4.31Å; F275-I298 HydrophobicContact CG-CD1 4.47Å; F275-I298 HydrophobicContact CG-CG1 4.09Å; F275-I301 HydrophobicContact CE2-CD1 3.91Å; F275-I301 HydrophobicContact CZ-CD1 4.49Å
276L94.4Very high89.9Confident24 Ų2466.1 Ų66.113%0.12635%0.349CS..EExtended strand (participates in β ladder)trans-126.1146171.580.5104.9000110.6V262 E263 L265 K278 T283 F284V262-L276 WeakPolarHBondContact CA-O 3.47Å; E263-L276 HydrophobicContact CB-CD2 4.08Å; E263-L276 HydrophobicContact CB-CG 4.08Å; E263-L276 PolarHBondContact N-O 2.76Å; E263-L276 PolarHBondContact O-N 3.34Å; L265-L276 HydrophobicContact CD1-CB 4.05Å; L265-L276 HydrophobicContact CD1-CD2 4.06Å; L265-L276 HydrophobicContact CD2-CD2 3.72Å; L265-L276 HydrophobicContact CG-CB 4.46Å; L265-L276 HydrophobicContact CG-CD2 3.85Å; L276-K278 HydrophobicContact CD1-CB 3.74Å; L276-T283 HydrophobicContact CD1-CG2 4.16Å; L276-F284 VanDerWaalsContact CA-O 3.31Å; L276-F284 WeakPolarHBondContact CA-O 3.32Å
277V95.5Very high90.1Very high0 Ų062 Ų620%032%0.323CS..EExtended strand (participates in β ladder)trans-106.4123.9163.3-175.50000107I239 I254 L256 V262 F275 T283 F284 I286 I301I239-V277 HydrophobicContact CD1-CG2 4.45Å; I254-V277 HydrophobicContact CG2-CG1 4.08Å; L256-V277 HydrophobicContact CD2-CG1 4.2Å; V262-V277 HydrophobicContact CG2-CG2 4.26Å; F275-V277 HydrophobicContact CD2-CG2 4.39Å; F275-V277 HydrophobicContact CE2-CG2 4.13Å; V277-T283 WeakPolarHBondContact O-CA 3.49Å; V277-F284 HydrophobicContact CB-CB 4.46Å; V277-F284 PolarHBondContact N-O 3.36Å; V277-F284 PolarHBondContact O-N 3.39Å; V277-I286 HydrophobicContact CG2-CD1 4.42Å; V277-I301 HydrophobicContact CG2-CD1 4.04Å; V277-I301 HydrophobicContact CG2-CG2 4.47Å
278K93.4Very high90.4Very high105 Ų10557.9 Ų57.946%0.45730%0.302SS..EExtended strand (participates in β ladder)trans-107.7115.7177.7178.2-176.8176.7-168.10107.8C260 C261 L276 T283C260-K278 WeakPolarHBondContact CA-O 3.25Å; C261-K278 PolarHBondContact N-O 2.87Å; C261-K278 PolarHBondContact O-N 3.29Å; L276-K278 HydrophobicContact CD1-CB 3.74Å; K278-T283 HydrophobicContact CB-CG2 4.13Å; K278-T283 HydrophobicContact CG-CG2 4Å
279C90.7Very high90.6Very high16 Ų1658.8 Ų58.811%0.10832%0.317CS..EExtended strand (participates in β ladder)trans-100.8170.3165.5-51.30000108.7I254 L255 C260 D281 K282I254-C279 WeakPolarHBondContact CG2-SG 3.3Å; L255-C279 PolarHBondContact O-SG 2.96Å; C260-C279 VanDerWaalsContact SG-SG 3.68Å; C279-D281 PolarHBondContact O-N 3.14Å; C279-K282 PolarHBondContact N-O 2.92Å; C279-K282 PolarHBondContact O-N 3.42Å
280F82.7Confident91.3Very high164 Ų16456.4 Ų56.472%0.71930%0.304SS*.THydrogen-bonded Turntrans-39.4-60.7-176.2-159.7-95.1000114.5
281D81.5Confident91.9Very high137 Ų13760.6 Ų60.673%0.73330%0.299SS*.THydrogen-bonded Turntrans-100.4-5.9-179.6-60.3-51.5000115C279C279-D281 PolarHBondContact O-N 3.14Å
282K88.9Confident92.3Very high121 Ų12164.6 Ų64.653%0.52632%0.317SS..EExtended strand (participates in β ladder)trans-141.9128.4-160-70.4168.4-171.1153.50112.9C279 F284C279-K282 PolarHBondContact N-O 2.92Å; C279-K282 PolarHBondContact O-N 3.42Å; K282-F284 HydrophobicContact CB-CD2 4.42Å; K282-F284 HydrophobicContact CB-CE2 3.64Å; K282-F284 HydrophobicContact CB-CZ 4.05Å; K282-F284 HydrophobicContact CD-CZ 4.29Å
283T91.6Very high92.5Very high85 Ų8562 Ų6252%0.52131%0.306SS..EExtended strand (participates in β ladder)trans-104.6136.4169.8500000111.5L276 V277 K278L276-T283 HydrophobicContact CD1-CG2 4.16Å; V277-T283 WeakPolarHBondContact O-CA 3.49Å; K278-T283 HydrophobicContact CB-CG2 4.13Å; K278-T283 HydrophobicContact CG-CG2 4Å
284F93.3Very high92.6Very high25 Ų2562 Ų6211%0.1130%0.304CS..EExtended strand (participates in β ladder)trans-120.3103.9-178.8-64.2-89.7000109.3I254 L276 V277 K282I254-F284 HydrophobicContact CB-CD2 4.48Å; I254-F284 HydrophobicContact CB-CE2 4.33Å; I254-F284 HydrophobicContact CD1-CB 3.82Å; I254-F284 HydrophobicContact CD1-CD1 3.79Å; I254-F284 HydrophobicContact CD1-CD2 4.03Å; I254-F284 HydrophobicContact CD1-CE1 4.34Å; I254-F284 HydrophobicContact CD1-CG 3.61Å; I254-F284 HydrophobicContact CG1-CD1 3.82Å; I254-F284 HydrophobicContact CG1-CD2 3.97Å; I254-F284 HydrophobicContact CG1-CE1 3.84Å; I254-F284 HydrophobicContact CG1-CE2 3.99Å; I254-F284 HydrophobicContact CG1-CG 3.89Å; I254-F284 HydrophobicContact CG1-CZ 3.92Å; I254-F284 HydrophobicContact CG2-CD2 3.83Å; I254-F284 HydrophobicContact CG2-CE2 3.85Å; I254-F284 HydrophobicContact CG2-CG 4.49Å; L276-F284 VanDerWaalsContact CA-O 3.31Å; L276-F284 WeakPolarHBondContact CA-O 3.32Å; V277-F284 HydrophobicContact CB-CB 4.46Å; V277-F284 PolarHBondContact N-O 3.36Å; V277-F284 PolarHBondContact O-N 3.39Å; K282-F284 HydrophobicContact CB-CD2 4.42Å; K282-F284 HydrophobicContact CB-CE2 3.64Å; K282-F284 HydrophobicContact CB-CZ 4.05Å; K282-F284 HydrophobicContact CD-CZ 4.29Å
285E94.1Very high92.7Very high33 Ų3367.3 Ų67.315%0.15433%0.329CS..EExtended strand (participates in β ladder)trans-84.5125.5177.5-153.7-172.611900110.3K220 W227 L265 K268K220-E285 HydrophobicContact CB-CB 3.96Å; K220-E285 WeakPolarHBondContact CB-O 3.19Å; K220-E285 HydrophobicContact CD-CB 3.93Å; K220-E285 VanDerWaalsContact CD-CD 3.47Å; K220-E285 HydrophobicContact CD-CG 4.23Å; K220-E285 WeakPolarHBondContact CD-OE1 3.47Å; K220-E285 PolarHBondContact N-O 2.67Å; K220-E285 IonicContact NZ-OE1 3.89Å; K220-E285 PolarHBondContact NZ-OE1 3.1Å; K220-E285 IonicContact NZ-OE2 3.68Å; K220-E285 PolarHBondContact NZ-OE2 3.4Å; W227-E285 HydrophobicContact CH2-CB 4.31Å; W227-E285 HydrophobicContact CH2-CG 3.97Å; W227-E285 WeakPolarHBondContact CH2-OE1 3.39Å; W227-E285 WeakPolarHBondContact CZ2-OE1 3.37Å; L265-E285 HydrophobicContact CD1-CG 3.72Å; K268-E285 WeakPolarHBondContact CE-OE1 3.32Å; K268-E285 WeakPolarHBondContact CE-OE2 3.41Å; K268-E285 IonicContact NZ-OE1 3.42Å; K268-E285 PolarHBondContact NZ-OE1 3.31Å; K268-E285 IonicContact NZ-OE2 2.75Å; K268-E285 PolarHBondContact NZ-OE2 2.95Å
286I95.4Very high92.7Very high1 Ų169.3 Ų69.31%0.00534%0.338CS..EExtended strand (participates in β ladder)trans-134142.3-171.7-54.6174.6000109.3M217 M218 F232 I254 L274 F275 V277M217-I286 HydrophobicContact CB-CG2 3.78Å; M217-I286 HydrophobicContact CE-CG2 4.05Å; M217-I286 HydrophobicContact CG-CG2 4.38Å; M217-I286 HydrophobicContact SD-CG2 3.75Å; M218-I286 WeakPolarHBondContact O-CA 3.48Å; F232-I286 HydrophobicContact CE1-CD1 3.74Å; F232-I286 HydrophobicContact CZ-CD1 3.9Å; F232-I286 HydrophobicContact CZ-CG1 4.21Å; F232-I286 HydrophobicContact CZ-CG2 4.38Å; I254-I286 HydrophobicContact CD1-CD1 4.45Å; L274-I286 CarbonylContact C-O 3.55Å; L274-I286 WeakPolarHBondContact CA-O 3.36Å; F275-I286 HydrophobicContact CD1-CB 4.35Å; F275-I286 HydrophobicContact CD2-CB 4.45Å; F275-I286 HydrophobicContact CE1-CB 3.91Å; F275-I286 HydrophobicContact CE1-CG2 3.68Å; F275-I286 HydrophobicContact CE2-CB 4.03Å; F275-I286 HydrophobicContact CE2-CD1 3.99Å; F275-I286 HydrophobicContact CE2-CG2 4.35Å; F275-I286 HydrophobicContact CZ-CB 3.74Å; F275-I286 HydrophobicContact CZ-CD1 4.12Å; F275-I286 HydrophobicContact CZ-CG2 3.59Å; F275-I286 PolarHBondContact N-O 3.34Å; F275-I286 PolarHBondContact O-N 2.95Å; F275-I286 VanDerWaalsContact O-O 3.04Å; V277-I286 HydrophobicContact CG2-CD1 4.42Å
287S94.9Very high92.8Very high9 Ų968.4 Ų68.46%0.06333%0.333CS..EExtended strand (participates in β ladder)trans-120.8124.5175.4171.90000109M218 K272M218-S287 PolarHBondContact N-O 3.37Å; M218-S287 PolarHBondContact O-N 2.88Å; K272-S287 PolarHBondContact O-OG 3.43Å
288A95Very high92.8Very high6 Ų669.4 Ų69.45%0.0534%0.338CS..  trans-86.8162.7172.100000111.1C273 D290 K293 K294C273-A288 WeakPolarHBondContact CB-O 3.34Å; C273-A288 PolarHBondContact O-N 3.18Å; C273-A288 VanDerWaalsContact O-N 3.16Å; A288-D290 VanDerWaalsContact C-N 3.29Å; A288-D290 PolarHBondContact O-N 3.42Å; A288-K293 HydrophobicContact CB-CB 4.23Å; A288-K294 HydrophobicContact CB-CB 4.07Å
289S92.6Very high92.9Very high93 Ų9370.8 Ų70.865%0.6535%0.346SS*.SBendtrans-54.9-41.6175.145.50000113.4K293S289-K293 WeakPolarHBondContact OG-CG 3.41Å
290D94.1Very high93.2Very high60 Ų6071 Ų7132%0.32135%0.349SS..SBendtrans-154.4173.5-167.664.382000111.8A288 K292 K293 K294A288-D290 VanDerWaalsContact C-N 3.29Å; A288-D290 PolarHBondContact O-N 3.42Å; D290-K292 PolarHBondContact O-N 3.49Å; D290-K292 WeakPolarHBondContact OD1-CA 3.44Å; D290-K292 VanDerWaalsContact OD1-CB 3.28Å; D290-K292 WeakPolarHBondContact OD1-CB 3.49Å; D290-K292 PolarHBondContact OD1-N 3.43Å; D290-K293 PolarHBondContact OD1-N 3.12Å; D290-K293 WeakPolarHBondContact OD2-CB 3.34Å; D290-K293 WeakPolarHBondContact OD2-CG 3.37Å; D290-K294 WeakPolarHBondContact O-CB 3.37Å; D290-K294 PolarHBondContact O-N 3.22Å
291K93.1Very high93.8Very high170 Ų17063.2 Ų63.274%0.73932%0.315SS*.Hα-helixtrans-68.1-31-177.3-68.4-174.9178.5-179.10113.3Q295K291-Q295 WeakPolarHBondContact O-CG 3.5Å; K291-Q295 PolarHBondContact O-N 2.91Å
292K94.6Very high94.4Very high148 Ų14862.2 Ų62.264%0.64331%0.306SS*.Hα-helixtrans-71.9-53.8179.1-169.2-169.6-176.3-105.60109.3D290 K294 Q295 E296D290-K292 PolarHBondContact O-N 3.49Å; D290-K292 WeakPolarHBondContact OD1-CA 3.44Å; D290-K292 VanDerWaalsContact OD1-CB 3.28Å; D290-K292 WeakPolarHBondContact OD1-CB 3.49Å; D290-K292 PolarHBondContact OD1-N 3.43Å; K292-K294 VanDerWaalsContact C-N 3.29Å; K292-K294 PolarHBondContact O-N 3.38Å; K292-Q295 PolarHBondContact O-N 3.43Å; K292-E296 WeakPolarHBondContact CE-OE1 3.24Å; K292-E296 IonicContact NZ-OE1 2.71Å; K292-E296 PolarHBondContact NZ-OE1 2.84Å; K292-E296 WeakPolarHBondContact O-CG 3.22Å; K292-E296 PolarHBondContact O-N 3.09Å
293K94.1Very high94.7Very high90 Ų9059.1 Ų59.139%0.39130%0.299SS..Hα-helixtrans-55.8-41.1174.8-70-74.8-169.2179.80111.6A288 S289 D290 Q295 E296 W297A288-K293 HydrophobicContact CB-CB 4.23Å; S289-K293 WeakPolarHBondContact OG-CG 3.41Å; D290-K293 PolarHBondContact OD1-N 3.12Å; D290-K293 WeakPolarHBondContact OD2-CB 3.34Å; D290-K293 WeakPolarHBondContact OD2-CG 3.37Å; K293-Q295 PolarHBondContact O-N 3.04Å; K293-E296 PolarHBondContact O-N 3.47Å; K293-W297 WeakPolarHBondContact O-CB 3.35Å; K293-W297 PolarHBondContact O-N 2.85Å
294K95Very high94.8Very high16 Ų1655.3 Ų55.37%0.0728%0.276CS..Hα-helixtrans-53.8-53.3172.1169.4172.6170.3171.10111.7S264 L265 C273 L274 A288 D290 K292 W297 I298S264-K294 VanDerWaalsContact OG-CE 3.32Å; S264-K294 WeakPolarHBondContact OG-CE 3.36Å; S264-K294 PolarHBondContact OG-NZ 3.47Å; L265-K294 PolarHBondContact O-NZ 3.33Å; C273-K294 HydrophobicContact CB-CB 4.3Å; C273-K294 HydrophobicContact CB-CD 4.35Å; L274-K294 WeakPolarHBondContact O-CE 3.38Å; L274-K294 PolarHBondContact O-NZ 3.18Å; A288-K294 HydrophobicContact CB-CB 4.07Å; D290-K294 WeakPolarHBondContact O-CB 3.37Å; D290-K294 PolarHBondContact O-N 3.22Å; K292-K294 VanDerWaalsContact C-N 3.29Å; K292-K294 PolarHBondContact O-N 3.38Å; K294-W297 PolarHBondContact O-N 3.04Å; K294-I298 HydrophobicContact CD-CD1 4.3Å; K294-I298 HydrophobicContact CG-CD1 3.67Å; K294-I298 HydrophobicContact CG-CG1 4.43Å; K294-I298 VanDerWaalsContact O-CG1 3.29Å; K294-I298 WeakPolarHBondContact O-CG1 3.34Å; K294-I298 PolarHBondContact O-N 3.25Å
295Q95.7Very high94.8Very high110 Ų11054.4 Ų54.451%0.51427%0.272SS..Hα-helixtrans-67.8-40.9-177.2-64.8-61.5-3.900112.1K291 K292 K293 W297 I298 Q299K291-Q295 WeakPolarHBondContact O-CG 3.5Å; K291-Q295 PolarHBondContact O-N 2.91Å; K292-Q295 PolarHBondContact O-N 3.43Å; K293-Q295 PolarHBondContact O-N 3.04Å; Q295-W297 VanDerWaalsContact C-N 3.31Å; Q295-W297 PolarHBondContact O-N 3.42Å; Q295-I298 PolarHBondContact O-N 3.46Å; Q295-Q299 WeakPolarHBondContact O-CB 3.46Å; Q295-Q299 PolarHBondContact O-N 3.07Å
296E95.5Very high94.7Very high43 Ų4357.5 Ų57.520%0.20129%0.287CS..Hα-helixtrans-57.6-41.9174.2-67.4173.6-165.400112.4K213 K292 K293 A300K213-E296 IonicContact NZ-OE2 3.49Å; K213-E296 PolarHBondContact NZ-OE2 2.85Å; K292-E296 WeakPolarHBondContact CE-OE1 3.24Å; K292-E296 IonicContact NZ-OE1 2.71Å; K292-E296 PolarHBondContact NZ-OE1 2.84Å; K292-E296 WeakPolarHBondContact O-CG 3.22Å; K292-E296 PolarHBondContact O-N 3.09Å; K293-E296 PolarHBondContact O-N 3.47Å; E296-A300 VanDerWaalsContact O-CB 3.26Å; E296-A300 WeakPolarHBondContact O-CB 3.17Å; E296-A300 PolarHBondContact O-N 3.11Å
297W96.6Very high94.5Very high4 Ų459.1 Ų59.12%0.01530%0.295CS..Hα-helixtrans-71.7-43.3178.6-85.7108.6000112.3K213 M217 F232 L234 F275 K293 K294 Q295 Q299 A300 I301K213-W297 HydrophobicContact CB-CE3 4.34Å; K213-W297 HydrophobicContact CB-CH2 4.21Å; K213-W297 HydrophobicContact CB-CZ3 4.05Å; K213-W297 HydrophobicContact CD-CD2 3.68Å; K213-W297 HydrophobicContact CD-CE3 3.92Å; K213-W297 HydrophobicContact CD-CG 4.02Å; K213-W297 HydrophobicContact CD-CZ2 4.44Å; K213-W297 HydrophobicContact CD-CZ3 4.4Å; K213-W297 HydrophobicContact CG-CD2 4.2Å; K213-W297 HydrophobicContact CG-CE3 4.24Å; K213-W297 HydrophobicContact CG-CH2 4.14Å; K213-W297 HydrophobicContact CG-CZ2 4.08Å; K213-W297 HydrophobicContact CG-CZ3 4.22Å; M217-W297 HydrophobicContact CE-CD2 3.53Å; M217-W297 HydrophobicContact CE-CE3 3.73Å; M217-W297 HydrophobicContact CE-CG 4.08Å; M217-W297 HydrophobicContact CE-CH2 3.91Å; M217-W297 HydrophobicContact CE-CZ2 3.72Å; M217-W297 HydrophobicContact CE-CZ3 3.91Å; M217-W297 HydrophobicContact SD-CB 4.36Å; M217-W297 VanDerWaalsContact SD-CD1 3.53Å; M217-W297 HydrophobicContact SD-CD2 3.77Å; M217-W297 HydrophobicContact SD-CG 3.68Å; M217-W297 HydrophobicContact SD-CZ2 4.39Å; F232-W297 HydrophobicContact CB-CH2 3.75Å; F232-W297 HydrophobicContact CB-CZ2 4.26Å; F232-W297 HydrophobicContact CB-CZ3 4.37Å; L234-W297 HydrophobicContact CB-CZ3 3.96Å; F275-W297 HydrophobicContact CE1-CB 4.4Å; F275-W297 HydrophobicContact CZ-CB 4.13Å; K293-W297 WeakPolarHBondContact O-CB 3.35Å; K293-W297 PolarHBondContact O-N 2.85Å; K294-W297 PolarHBondContact O-N 3.04Å; Q295-W297 VanDerWaalsContact C-N 3.31Å; Q295-W297 PolarHBondContact O-N 3.42Å; W297-Q299 VanDerWaalsContact C-N 3.35Å; W297-Q299 PolarHBondContact O-N 3.44Å; W297-A300 PolarHBondContact O-N 3.31Å; W297-I301 HydrophobicContact CE3-CD1 4.31Å; W297-I301 WeakPolarHBondContact O-CB 3.32Å; W297-I301 WeakPolarHBondContact O-CD1 3.18Å; W297-I301 WeakPolarHBondContact O-CG1 3.31Å; W297-I301 PolarHBondContact O-N 2.89Å
298I96.1Very high94.3Very high21 Ų2161.2 Ų61.211%0.10831%0.305CS..Hα-helixtrans-59.2-47.9174-68.6170.8000110.1V262 F275 K294 Q295 I301 H302V262-I298 HydrophobicContact CG1-CG2 4.21Å; V262-I298 HydrophobicContact CG2-CB 4.39Å; V262-I298 HydrophobicContact CG2-CG1 4.09Å; V262-I298 HydrophobicContact CG2-CG2 4.29Å; F275-I298 HydrophobicContact CB-CD1 3.91Å; F275-I298 HydrophobicContact CB-CG1 3.99Å; F275-I298 HydrophobicContact CD2-CG1 4.31Å; F275-I298 HydrophobicContact CG-CD1 4.47Å; F275-I298 HydrophobicContact CG-CG1 4.09Å; K294-I298 HydrophobicContact CD-CD1 4.3Å; K294-I298 HydrophobicContact CG-CD1 3.67Å; K294-I298 HydrophobicContact CG-CG1 4.43Å; K294-I298 VanDerWaalsContact O-CG1 3.29Å; K294-I298 WeakPolarHBondContact O-CG1 3.34Å; K294-I298 PolarHBondContact O-N 3.25Å; Q295-I298 PolarHBondContact O-N 3.46Å; I298-I301 PolarHBondContact O-N 3.01Å; I298-H302 WeakPolarHBondContact O-CB 3.19Å; I298-H302 PolarHBondContact O-N 3.3Å
299Q96.3Very high94Very high134 Ų13466.7 Ų66.763%0.62633%0.328SS*.Hα-helixtrans-62.2-47179.8-172.4179.612.100111.6Q295 W297 I301 H302 S303Q295-Q299 WeakPolarHBondContact O-CB 3.46Å; Q295-Q299 PolarHBondContact O-N 3.07Å; W297-Q299 VanDerWaalsContact C-N 3.35Å; W297-Q299 PolarHBondContact O-N 3.44Å; Q299-I301 PolarHBondContact O-N 2.86Å; Q299-H302 PolarHBondContact O-N 2.9Å; Q299-S303 WeakPolarHBondContact O-CB 3.5Å; Q299-S303 PolarHBondContact O-N 3.3Å; Q299-S303 PolarHBondContact O-OG 2.9Å; Q299-S303 VanDerWaalsContact O-OG 3.09Å
300A95.8Very high93.9Very high21 Ų2167.3 Ų67.317%0.17432%0.323CS..Hα-helixtrans-62.3-44.2178.800000112.3K213 L234 E296 W297 T304K213-A300 HydrophobicContact CB-CB 4.28Å; K213-A300 HydrophobicContact CD-CB 3.88Å; L234-A300 HydrophobicContact CD2-CB 3.69Å; E296-A300 VanDerWaalsContact O-CB 3.26Å; E296-A300 WeakPolarHBondContact O-CB 3.17Å; E296-A300 PolarHBondContact O-N 3.11Å; W297-A300 PolarHBondContact O-N 3.31Å; A300-T304 WeakPolarHBondContact O-CB 3.21Å; A300-T304 PolarHBondContact O-N 3.27Å; A300-T304 PolarHBondContact O-OG1 3.2Å
301I95.7Very high93.6Very high1 Ų167.9 Ų67.91%0.00534%0.343CS..Hα-helixtrans-66-43.7177.6-64.9165.7000110.6L234 I239 V262 F275 V277 W297 I298 Q299 T304 I305L234-I301 HydrophobicContact CD1-CG1 4.27Å; L234-I301 HydrophobicContact CD2-CG1 4.14Å; I239-I301 HydrophobicContact CD1-CD1 3.76Å; I239-I301 HydrophobicContact CD1-CG1 3.85Å; I239-I301 HydrophobicContact CD1-CG2 4.35Å; V262-I301 HydrophobicContact CB-CB 4.41Å; V262-I301 HydrophobicContact CB-CG2 3.86Å; V262-I301 HydrophobicContact CG1-CB 4.21Å; V262-I301 HydrophobicContact CG1-CG2 3.95Å; V262-I301 HydrophobicContact CG2-CB 4.44Å; V262-I301 HydrophobicContact CG2-CG2 4.26Å; F275-I301 HydrophobicContact CE2-CD1 3.91Å; F275-I301 HydrophobicContact CZ-CD1 4.49Å; V277-I301 HydrophobicContact CG2-CD1 4.04Å; V277-I301 HydrophobicContact CG2-CG2 4.47Å; W297-I301 HydrophobicContact CE3-CD1 4.31Å; W297-I301 WeakPolarHBondContact O-CB 3.32Å; W297-I301 WeakPolarHBondContact O-CD1 3.18Å; W297-I301 WeakPolarHBondContact O-CG1 3.31Å; W297-I301 PolarHBondContact O-N 2.89Å; I298-I301 PolarHBondContact O-N 3.01Å; Q299-I301 PolarHBondContact O-N 2.86Å; I301-T304 WeakPolarHBondContact O-CB 3.42Å; I301-T304 PolarHBondContact O-N 3.26Å; I301-I305 HydrophobicContact CG2-CD1 3.85Å; I301-I305 WeakPolarHBondContact O-CG1 3.35Å; I301-I305 PolarHBondContact O-N 3.44Å
302H95Very high93.2Very high116 Ų11661.8 Ų61.854%0.53732%0.322SS..Hα-helixtrans-62-47177.8-177.3-82.7000112.1V262 I298 Q299 T304 I305 H306V262-H302 HydrophobicContact CG1-CB 3.84Å; I298-H302 WeakPolarHBondContact O-CB 3.19Å; I298-H302 PolarHBondContact O-N 3.3Å; Q299-H302 PolarHBondContact O-N 2.9Å; H302-T304 VanDerWaalsContact C-N 3.3Å; H302-T304 PolarHBondContact O-N 3.04Å; H302-I305 PolarHBondContact O-N 3.07Å; H302-H306 WeakPolarHBondContact O-CB 3.5Å; H302-H306 PolarHBondContact O-N 2.59Å
303S93.8Very high92.9Very high56 Ų5657.1 Ų57.139%0.39231%0.307SS..Hα-helixtrans-61.9-37.3175.2-64.40000112.1Q299 H306 L307Q299-S303 WeakPolarHBondContact O-CB 3.5Å; Q299-S303 PolarHBondContact O-N 3.3Å; Q299-S303 PolarHBondContact O-OG 2.9Å; Q299-S303 VanDerWaalsContact O-OG 3.09Å; S303-H306 PolarHBondContact O-N 2.82Å; S303-L307 WeakPolarHBondContact O-CG 3.45Å; S303-L307 PolarHBondContact O-N 3.36Å
304T93.9Very high92.5Very high4 Ų453.9 Ų53.93%0.02530%0.295CS..Hα-helixtrans-63.1-47.5175.8-56.80000111.3L212 L234 P236 L256 A300 I301 H302 H306 L307 L308L212-T304 HydrophobicContact CD1-CG2 4.01Å; L212-T304 WeakPolarHBondContact CD1-OG1 3.26Å; L234-T304 HydrophobicContact CD1-CG2 4.2Å; P236-T304 WeakPolarHBondContact O-CG2 3.45Å; L256-T304 HydrophobicContact CD1-CG2 3.87Å; A300-T304 WeakPolarHBondContact O-CB 3.21Å; A300-T304 PolarHBondContact O-N 3.27Å; A300-T304 PolarHBondContact O-OG1 3.2Å; I301-T304 WeakPolarHBondContact O-CB 3.42Å; I301-T304 PolarHBondContact O-N 3.26Å; H302-T304 VanDerWaalsContact C-N 3.3Å; H302-T304 PolarHBondContact O-N 3.04Å; T304-H306 VanDerWaalsContact C-N 3.27Å; T304-H306 PolarHBondContact O-N 3.23Å; T304-L307 PolarHBondContact O-N 3.44Å; T304-L308 WeakPolarHBondContact O-CG 3.24Å; T304-L308 PolarHBondContact O-N 3Å
305I93.1Very high92.3Very high7 Ų756.1 Ų56.14%0.03631%0.311CS..Hα-helixtrans-62.4-34.6175.3-65.6162.7000111.4L256 C260 I301 H302 K309L256-I305 HydrophobicContact CD2-CD1 4.49Å; L256-I305 HydrophobicContact CD2-CG1 4.46Å; C260-I305 HydrophobicContact CB-CD1 3.72Å; C260-I305 HydrophobicContact CB-CG1 4.1Å; I301-I305 HydrophobicContact CG2-CD1 3.85Å; I301-I305 WeakPolarHBondContact O-CG1 3.35Å; I301-I305 PolarHBondContact O-N 3.44Å; H302-I305 PolarHBondContact O-N 3.07Å; I305-K309 HydrophobicContact CG2-CD 4.5Å; I305-K309 WeakPolarHBondContact O-CG 3.4Å; I305-K309 PolarHBondContact O-N 3.1Å; I305-K309 VanDerWaalsContact O-N 3.13Å
306H92.6Very high91.9Very high98 Ų9851.2 Ų51.245%0.45429%0.288SS..Hα-helixtrans-68.6-40.6175.6-176.347.6000112.7H302 S303 T304 K309 L310H302-H306 WeakPolarHBondContact O-CB 3.5Å; H302-H306 PolarHBondContact O-N 2.59Å; S303-H306 PolarHBondContact O-N 2.82Å; T304-H306 VanDerWaalsContact C-N 3.27Å; T304-H306 PolarHBondContact O-N 3.23Å; H306-K309 WeakPolarHBondContact O-CB 3.42Å; H306-K309 PolarHBondContact O-N 3.27Å; H306-L310 WeakPolarHBondContact O-CG 3.4Å; H306-L310 PolarHBondContact O-N 2.84Å
307L91Very high91.6Very high34 Ų3451.5 Ų51.518%0.17829%0.289CS..Hα-helixtrans-63.5-40.3174.4-69.9165.4000111.8S303 T304 K309 L310 G311 S312 P315S303-L307 WeakPolarHBondContact O-CG 3.45Å; S303-L307 PolarHBondContact O-N 3.36Å; T304-L307 PolarHBondContact O-N 3.44Å; L307-K309 PolarHBondContact O-N 2.91Å; L307-L310 CarbonylContact O-C 3.52Å; L307-L310 PolarHBondContact O-N 3.19Å; L307-L310 VanDerWaalsContact O-N 3.15Å; L307-G311 PolarHBondContact O-N 3.07Å; L307-G311 VanDerWaalsContact O-N 3.1Å; L307-S312 PolarHBondContact O-N 3.41Å; L307-P315 HydrophobicContact CD1-CG 3.76Å
308L90.6Very high91.2Very high54 Ų5453.9 Ų53.928%0.28330%0.3SS..Hα-helixtrans-57.7-46.5172.6-71.3173.9000111.8P236 N237 L256 T304 L310 G311P236-L308 WeakPolarHBondContact O-CD1 3.49Å; P236-L308 WeakPolarHBondContact O-CD2 3.28Å; P236-L308 WeakPolarHBondContact O-CG 3.29Å; N237-L308 HydrophobicContact CB-CD2 4.35Å; L256-L308 HydrophobicContact CB-CD1 3.84Å; L256-L308 WeakPolarHBondContact O-CD1 2.78Å; T304-L308 WeakPolarHBondContact O-CG 3.24Å; T304-L308 PolarHBondContact O-N 3Å; L308-L310 PolarHBondContact O-N 2.91Å; L308-G311 PolarHBondContact O-N 2.82Å
309K89.8Confident91Very high121 Ų12154.4 Ų54.453%0.52631%0.308SS..Hα-helixtrans-60.1-26.1176.4-74.8171.2178.4179.40114.2E258 I305 H306 L307E258-K309 HydrophobicContact CB-CG 3.88Å; E258-K309 WeakPolarHBondContact O-CE 3.39Å; E258-K309 PolarHBondContact O-NZ 3.27Å; I305-K309 HydrophobicContact CG2-CD 4.5Å; I305-K309 WeakPolarHBondContact O-CG 3.4Å; I305-K309 PolarHBondContact O-N 3.1Å; I305-K309 VanDerWaalsContact O-N 3.13Å; H306-K309 WeakPolarHBondContact O-CB 3.42Å; H306-K309 PolarHBondContact O-N 3.27Å; L307-K309 PolarHBondContact O-N 2.91Å
310L89.6Confident90.7Very high105 Ų10549.6 Ų49.655%0.5528%0.284SS..THydrogen-bonded Turntrans-95.5-1177.5-64.9176.3000112.9H306 L307 L308 S312H306-L310 WeakPolarHBondContact O-CG 3.4Å; H306-L310 PolarHBondContact O-N 2.84Å; L307-L310 CarbonylContact O-C 3.52Å; L307-L310 PolarHBondContact O-N 3.19Å; L307-L310 VanDerWaalsContact O-N 3.15Å; L308-L310 PolarHBondContact O-N 2.91Å; L310-S312 VanDerWaalsContact CB-OG 3.26Å; L310-S312 WeakPolarHBondContact CB-OG 3.41Å; L310-S312 PolarHBondContact O-N 3.48Å; L310-S312 VanDerWaalsContact O-N 3.13Å; L310-S312 PolarHBondContact O-OG 3.48Å
311G86.9Confident90.3Very high72 Ų7253 Ų5374%0.74230%0.297SS*.THydrogen-bonded Turntrans58.520.4-170.800000113.9L307 L308L307-G311 PolarHBondContact O-N 3.07Å; L307-G311 VanDerWaalsContact O-N 3.1Å; L308-G311 PolarHBondContact O-N 2.82Å
312S86.2Confident90.1Very high42 Ų4260.3 Ų60.329%0.29432%0.324SS..PPolyproline II helixtrans-81.3146-168.9-65.80000112.5L307 L310L307-S312 PolarHBondContact O-N 3.41Å; L310-S312 VanDerWaalsContact CB-OG 3.26Å; L310-S312 WeakPolarHBondContact CB-OG 3.41Å; L310-S312 PolarHBondContact O-N 3.48Å; L310-S312 VanDerWaalsContact O-N 3.13Å; L310-S312 PolarHBondContact O-OG 3.48Å
313P86.8Confident90Very high51 Ų5157.2 Ų57.233%0.33131%0.307SS..PPolyproline II helixtrans-67.816517729.2-34.8000112.1E318P313-E318 HydrophobicContact CG-CB 4.13Å; P313-E318 HydrophobicContact CG-CG 4.23Å
314P87.5Confident89.7Confident22 Ų2257 Ų5714%0.14330%0.3CS..PPolyproline II helixtrans-58.3144.3176.8-26.737.8000112.4D210 P236 H316 K317 E318D210-P314 VanDerWaalsContact OD1-CG 3.31Å; D210-P314 WeakPolarHBondContact OD1-CG 3.5Å; P236-P314 HydrophobicContact CB-CG 4.36Å; P236-P314 HydrophobicContact CG-CB 4.22Å; P236-P314 HydrophobicContact CG-CG 3.65Å; P314-H316 VanDerWaalsContact C-N 3.29Å; P314-H316 PolarHBondContact O-N 3.31Å; P314-H316 VanDerWaalsContact O-N 3.09Å; P314-K317 HydrophobicContact CB-CD 4.35Å; P314-K317 HydrophobicContact CG-CD 4.16Å; P314-K317 WeakPolarHBondContact O-CB 3.41Å; P314-K317 PolarHBondContact O-N 3.01Å; P314-E318 PolarHBondContact O-N 2.89Å
315P89.2Confident89.5Confident63 Ų6363 Ų6341%0.40933%0.328SS..Hα-helixtrans-57.6-33.3-168-29.636.7000115.6L307 A319L307-P315 HydrophobicContact CD1-CG 3.76Å; P315-A319 WeakPolarHBondContact O-CB 3.36Å; P315-A319 PolarHBondContact O-N 3.48Å
316H88.3Confident89.4Confident6 Ų667.3 Ų67.33%0.02835%0.35CS..Hα-helixtrans-73.1-32.4178.162.7-95.1000112.5F124 E206 L207 D210 P314 R320F124-H316 AromaticContact CZ-CD2 3.88Å; E206-H316 PolarHBondContact O-CE1 3.44Å; E206-H316 PolarHBondContact O-ND1 2.87Å; L207-H316 HydrophobicContact CD2-CB 3.64Å; L207-H316 PolarHBondContact O-NE2 3.12Å; D210-H316 IonicContact OD1-CE1 2.59Å; D210-H316 PolarHBondContact OD1-CE1 3.1Å; D210-H316 IonicContact OD1-NE2 2.78Å; D210-H316 PolarHBondContact OD1-NE2 3.19Å; P314-H316 VanDerWaalsContact C-N 3.29Å; P314-H316 PolarHBondContact O-N 3.31Å; P314-H316 VanDerWaalsContact O-N 3.09Å; H316-R320 PolarHBondContact O-N 3.29Å
317K88.8Confident89.3Confident50 Ų5064.5 Ų64.522%0.21734%0.335CS..Hα-helixtrans-71-44.2173.8-84.2154.1-173.2167.10110.4F124 D210 P314 R320 Q321F124-K317 HydrophobicContact CE2-CG 3.77Å; F124-K317 HydrophobicContact CZ-CG 3.76Å; D210-K317 IonicContact OD1-NZ 2.7Å; D210-K317 PolarHBondContact OD1-NZ 3Å; D210-K317 IonicContact OD2-NZ 2.69Å; D210-K317 PolarHBondContact OD2-NZ 3.02Å; P314-K317 HydrophobicContact CB-CD 4.35Å; P314-K317 HydrophobicContact CG-CD 4.16Å; P314-K317 WeakPolarHBondContact O-CB 3.41Å; P314-K317 PolarHBondContact O-N 3.01Å; K317-R320 PolarHBondContact O-N 2.95Å; K317-Q321 WeakPolarHBondContact O-CG 3.4Å; K317-Q321 PolarHBondContact O-N 2.72Å
318E89.3Confident89.2Confident53 Ų5370.7 Ų70.725%0.24836%0.361CS..Hα-helixtrans-61.2-44.9173.2-156-161166.300111.5P313 P314 R320 Q321 R322P313-E318 HydrophobicContact CG-CB 4.13Å; P313-E318 HydrophobicContact CG-CG 4.23Å; P314-E318 PolarHBondContact O-N 2.89Å; E318-R320 PolarHBondContact O-N 3.38Å; E318-Q321 PolarHBondContact O-N 2.86Å; E318-R322 WeakPolarHBondContact O-CG 3.48Å; E318-R322 PolarHBondContact O-N 2.61Å; E318-R322 IonicContact OE1-CZ 2.95Å; E318-R322 IonicContact OE1-NE 2.59Å; E318-R322 PolarHBondContact OE1-NE 3.29Å; E318-R322 IonicContact OE1-NH2 3.17Å; E318-R322 PolarHBondContact OE1-NH2 3.19Å; E318-R322 IonicContact OE2-NH2 2.68Å
319A90.3Very high89.2Confident33 Ų3373.8 Ų73.827%0.27337%0.372SS..Hα-helixtrans-62.4-40.1177.200000112.7P315 R323P315-A319 WeakPolarHBondContact O-CB 3.36Å; P315-A319 PolarHBondContact O-N 3.48Å; A319-R323 WeakPolarHBondContact O-CG 3.45Å; A319-R323 PolarHBondContact O-N 2.57Å
320R90.3Very high89.2Confident32 Ų3273 Ų7312%0.12137%0.37CS..Hα-helixtrans-62.8-44.4172.8-178.8-178.3168.8-115.8-1.1111.4F124 S126 D128 H316 K317 E318 R323 K324F124-R320 WeakPolarHBondContact O-CD 3.24Å; F124-R320 PolarHBondContact O-NE 2.83Å; F124-R320 PolarHBondContact O-NH1 3.27Å; F124-R320 PolarHBondContact O-NH2 2.9Å; S126-R320 PolarHBondContact O-NH2 3.03Å; D128-R320 IonicContact OD1-NH2 3.31Å; D128-R320 PolarHBondContact OD1-NH2 3.2Å; H316-R320 PolarHBondContact O-N 3.29Å; K317-R320 PolarHBondContact O-N 2.95Å; E318-R320 PolarHBondContact O-N 3.38Å; R320-R323 PolarHBondContact O-N 2.84Å; R320-K324 WeakPolarHBondContact O-CB 3.45Å; R320-K324 PolarHBondContact O-N 3.42Å
321Q88.8Confident89.2Confident94 Ų9472.5 Ų72.544%0.43937%0.368SS..Hα-helixtrans-59.2-52.3176.9-74.6170.5-29.800111K317 E318 R323 K324 E325K317-Q321 WeakPolarHBondContact O-CG 3.4Å; K317-Q321 PolarHBondContact O-N 2.72Å; E318-Q321 PolarHBondContact O-N 2.86Å; Q321-R323 VanDerWaalsContact C-N 3.35Å; Q321-R323 PolarHBondContact O-N 2.95Å; Q321-K324 PolarHBondContact O-N 2.59Å; Q321-K324 VanDerWaalsContact O-N 3.11Å; Q321-E325 WeakPolarHBondContact O-CG 3.43Å; Q321-E325 PolarHBondContact O-N 2.83Å
322R90.7Very high89.4Confident153 Ų15371.6 Ų71.658%0.57735%0.353SS*.Hα-helixtrans-57.1-41.8177.1-68.4175.2-178.9-152.19.5112.9E318 L326E318-R322 WeakPolarHBondContact O-CG 3.48Å; E318-R322 PolarHBondContact O-N 2.61Å; E318-R322 IonicContact OE1-CZ 2.95Å; E318-R322 IonicContact OE1-NE 2.59Å; E318-R322 PolarHBondContact OE1-NE 3.29Å; E318-R322 IonicContact OE1-NH2 3.17Å; E318-R322 PolarHBondContact OE1-NH2 3.19Å; E318-R322 IonicContact OE2-NH2 2.68Å; R322-L326 WeakPolarHBondContact O-CB 3.35Å; R322-L326 PolarHBondContact O-N 3.4Å
323R92Very high89.7Confident51 Ų5173.8 Ų73.819%0.19236%0.358CS..Hα-helixtrans-61.9-44.4175.1-77.4-166.6-57.1-9612.7112.1E138 Y141 A319 R320 Q321 L326 R327E138-R323 IonicContact OE1-CZ 2.98Å; E138-R323 IonicContact OE1-NE 2.76Å; E138-R323 PolarHBondContact OE1-NE 3.07Å; E138-R323 IonicContact OE1-NH2 2.65Å; E138-R323 IonicContact OE2-CZ 3.14Å; E138-R323 IonicContact OE2-NE 3.71Å; E138-R323 PolarHBondContact OE2-NE 2.97Å; E138-R323 IonicContact OE2-NH2 3.2Å; E138-R323 PolarHBondContact OE2-NH2 2.8Å; Y141-R323 VanDerWaalsContact CE1-NH2 3.35Å; A319-R323 WeakPolarHBondContact O-CG 3.45Å; A319-R323 PolarHBondContact O-N 2.57Å; R320-R323 PolarHBondContact O-N 2.84Å; Q321-R323 VanDerWaalsContact C-N 3.35Å; Q321-R323 PolarHBondContact O-N 2.95Å; R323-L326 PolarHBondContact O-N 3.31Å; R323-R327 PolarHBondContact O-N 2.9Å
324K88.5Confident89.8Confident53 Ų5376.4 Ų76.423%0.2337%0.366CS..Hα-helixtrans-69.4-38.3-179.6178.6161.5172.1152.50112.8E127 D128 R320 Q321 K328E127-K324 WeakPolarHBondContact OE2-CE 3.33Å; E127-K324 IonicContact OE2-NZ 3.32Å; E127-K324 PolarHBondContact OE2-NZ 3.04Å; D128-K324 IonicContact OD1-NZ 2.68Å; D128-K324 IonicContact OD2-NZ 2.82Å; D128-K324 PolarHBondContact OD2-NZ 3.31Å; R320-K324 WeakPolarHBondContact O-CB 3.45Å; R320-K324 PolarHBondContact O-N 3.42Å; Q321-K324 PolarHBondContact O-N 2.59Å; Q321-K324 VanDerWaalsContact O-N 3.11Å; K324-K328 WeakPolarHBondContact O-CB 3.05Å; K324-K328 PolarHBondContact O-N 3.4Å
325E90.4Very high90Very high130 Ų13080.8 Ų80.861%0.60739%0.385SS*.Hα-helixtrans-62.9-43.6171.7-72.7170.3172.800111.4Q321 K328 K329Q321-E325 WeakPolarHBondContact O-CG 3.43Å; Q321-E325 PolarHBondContact O-N 2.83Å; E325-K328 PolarHBondContact O-N 3.44Å; E325-K329 WeakPolarHBondContact O-CB 3.44Å; E325-K329 PolarHBondContact O-N 2.68Å
326L90.9Very high90.3Very high96 Ų9683.2 Ų83.250%0.50339%0.391SS..Hα-helixtrans-61.2-49.2175.1-178.461.7000111.7R322 R323 K328 K329 Q330R322-L326 WeakPolarHBondContact O-CB 3.35Å; R322-L326 PolarHBondContact O-N 3.4Å; R323-L326 PolarHBondContact O-N 3.31Å; L326-K328 PolarHBondContact O-N 3.48Å; L326-K329 PolarHBondContact O-N 2.88Å; L326-Q330 HydrophobicContact CD1-CG 4.32Å; L326-Q330 WeakPolarHBondContact O-CG 3.5Å; L326-Q330 PolarHBondContact O-N 3.05Å; L326-Q330 PolarHBondContact O-OE1 2.94Å
327R89.4Confident90.6Very high40 Ų4087.9 Ų87.915%0.15142%0.415CS..Hα-helixtrans-57.1-46.3175.1-75-165.3-62.2-87.77.5112E127 E138 R323 K329 Q330 L331E127-R327 IonicContact OE1-CZ 2.72Å; E127-R327 IonicContact OE1-NE 2.92Å; E127-R327 IonicContact OE1-NH2 3.39Å; E127-R327 PolarHBondContact OE1-NH2 2.88Å; E138-R327 IonicContact OE1-CZ 3.48Å; E138-R327 IonicContact OE1-NH1 2.74Å; E138-R327 PolarHBondContact OE1-NH1 2.9Å; E138-R327 IonicContact OE1-NH2 3.16Å; E138-R327 PolarHBondContact OE1-NH2 3.43Å; R323-R327 PolarHBondContact O-N 2.9Å; R327-K329 VanDerWaalsContact C-N 3.3Å; R327-K329 PolarHBondContact O-N 3.12Å; R327-Q330 PolarHBondContact O-N 2.85Å; R327-L331 WeakPolarHBondContact O-CB 3.4Å; R327-L331 PolarHBondContact O-N 3.41Å
328K88.4Confident90.8Very high163 Ų16389 Ų8971%0.70942%0.421SS*.Hα-helixtrans-63.1-37.9178.6-174.1-179.7178.1-175.50111.8K324 E325 L326 A332K324-K328 WeakPolarHBondContact O-CB 3.05Å; K324-K328 PolarHBondContact O-N 3.4Å; E325-K328 PolarHBondContact O-N 3.44Å; L326-K328 PolarHBondContact O-N 3.48Å; K328-A332 WeakPolarHBondContact O-CB 3.16Å; K328-A332 PolarHBondContact O-N 3.5Å; K328-A332 VanDerWaalsContact O-N 3.1Å
329K91.8Very high91Very high120 Ų12093.7 Ų93.752%0.52244%0.437SS..Hα-helixtrans-66.1-48.5175.4-177.2-177.5163.4-175.40111.2E325 L326 R327 L331 A332 E333E325-K329 WeakPolarHBondContact O-CB 3.44Å; E325-K329 PolarHBondContact O-N 2.68Å; L326-K329 PolarHBondContact O-N 2.88Å; R327-K329 VanDerWaalsContact C-N 3.3Å; R327-K329 PolarHBondContact O-N 3.12Å; K329-L331 VanDerWaalsContact C-N 3.32Å; K329-L331 PolarHBondContact O-N 3.09Å; K329-A332 PolarHBondContact O-N 2.81Å; K329-A332 VanDerWaalsContact O-N 3.14Å; K329-E333 WeakPolarHBondContact CE-OE1 3.45Å; K329-E333 HydrophobicContact CG-CG 4.43Å; K329-E333 IonicContact NZ-OE1 3.72Å; K329-E333 PolarHBondContact NZ-OE1 3.38Å; K329-E333 WeakPolarHBondContact O-CG 3.36Å; K329-E333 PolarHBondContact O-N 2.85Å
330Q89.9Confident91.3Very high104 Ų10496.1 Ų96.149%0.48644%0.443SS..Hα-helixtrans-59.4-41.4178.1-71.9170.4-51.100112L326 R327 E333 Q334L326-Q330 HydrophobicContact CD1-CG 4.32Å; L326-Q330 WeakPolarHBondContact O-CG 3.5Å; L326-Q330 PolarHBondContact O-N 3.05Å; L326-Q330 PolarHBondContact O-OE1 2.94Å; R327-Q330 PolarHBondContact O-N 2.85Å; Q330-E333 PolarHBondContact O-N 3.2Å; Q330-Q334 WeakPolarHBondContact O-CB 3.26Å; Q330-Q334 PolarHBondContact O-N 3.16Å
331L88.1Confident91.5Very high95 Ų95100.7 Ų100.750%0.49747%0.467SS..Hα-helixtrans-63.3-43.2174.7-179.362.3000111.9R327 K329 Q334 E335R327-L331 WeakPolarHBondContact O-CB 3.4Å; R327-L331 PolarHBondContact O-N 3.41Å; K329-L331 VanDerWaalsContact C-N 3.32Å; K329-L331 PolarHBondContact O-N 3.09Å; L331-Q334 PolarHBondContact O-N 2.79Å; L331-E335 HydrophobicContact CD1-CG 4.44Å; L331-E335 WeakPolarHBondContact O-CB 3.2Å; L331-E335 WeakPolarHBondContact O-CG 3.48Å; L331-E335 PolarHBondContact O-N 2.91Å
332A91.5Very high91.8Very high52 Ų52101.7 Ų101.743%0.4347%0.47SS..Hα-helixtrans-65.2-39.8176.300000112.3K328 K329 Q334 E335 E336K328-A332 WeakPolarHBondContact O-CB 3.16Å; K328-A332 PolarHBondContact O-N 3.5Å; K328-A332 VanDerWaalsContact O-N 3.1Å; K329-A332 PolarHBondContact O-N 2.81Å; K329-A332 VanDerWaalsContact O-N 3.14Å; A332-Q334 VanDerWaalsContact C-N 3.33Å; A332-E335 PolarHBondContact O-N 3.04Å; A332-E336 WeakPolarHBondContact O-CB 3.41Å; A332-E336 PolarHBondContact O-N 3.21Å
333E92.8Very high92Very high88 Ų88100.1 Ų100.141%0.41147%0.469SS..Hα-helixtrans-63.3-38.3173.5-72.4173.3147.900111.2K329 Q330 L337K329-E333 WeakPolarHBondContact CE-OE1 3.45Å; K329-E333 HydrophobicContact CG-CG 4.43Å; K329-E333 IonicContact NZ-OE1 3.72Å; K329-E333 PolarHBondContact NZ-OE1 3.38Å; K329-E333 WeakPolarHBondContact O-CG 3.36Å; K329-E333 PolarHBondContact O-N 2.85Å; Q330-E333 PolarHBondContact O-N 3.2Å; E333-L337 WeakPolarHBondContact O-CB 3.44Å; E333-L337 VanDerWaalsContact O-CG 3.24Å; E333-L337 WeakPolarHBondContact O-CG 3.39Å; E333-L337 PolarHBondContact O-N 3.18Å
334Q89.4Confident92.1Very high107 Ų107103.5 Ų103.550%0.549%0.49SS..Hα-helixtrans-68.5-45.5173.5-177.8177.8-22.100112.6Q330 L331 A332 E336 L337 E338Q330-Q334 WeakPolarHBondContact O-CB 3.26Å; Q330-Q334 PolarHBondContact O-N 3.16Å; L331-Q334 PolarHBondContact O-N 2.79Å; A332-Q334 VanDerWaalsContact C-N 3.33Å; Q334-E336 VanDerWaalsContact C-N 3.26Å; Q334-E336 PolarHBondContact O-N 3.43Å; Q334-L337 PolarHBondContact O-N 2.96Å; Q334-E338 PolarHBondContact NE2-OE1 3.18Å; Q334-E338 WeakPolarHBondContact O-CB 3.37Å; Q334-E338 PolarHBondContact O-N 2.86Å
335E92Very high92.4Very high114 Ų114106.4 Ų106.453%0.53351%0.505SS..Hα-helixtrans-61.6-35176.5-75.6179.6-172.300111.9L331 A332 R339L331-E335 HydrophobicContact CD1-CG 4.44Å; L331-E335 WeakPolarHBondContact O-CB 3.2Å; L331-E335 WeakPolarHBondContact O-CG 3.48Å; L331-E335 PolarHBondContact O-N 2.91Å; A332-E335 PolarHBondContact O-N 3.04Å; E335-R339 WeakPolarHBondContact O-CB 3.33Å; E335-R339 PolarHBondContact O-N 3.49Å; E335-R339 VanDerWaalsContact O-N 3.1Å
336E94.1Very high92.7Very high113 Ų113104.8 Ų104.853%0.52850%0.503SS..Hα-helixtrans-71.2-45.6174.2-173.2171.2179.200111.9A332 Q334 E338 R339 Q340A332-E336 WeakPolarHBondContact O-CB 3.41Å; A332-E336 PolarHBondContact O-N 3.21Å; Q334-E336 VanDerWaalsContact C-N 3.26Å; Q334-E336 PolarHBondContact O-N 3.43Å; E336-E338 PolarHBondContact O-N 3.23Å; E336-R339 WeakPolarHBondContact O-CB 3.23Å; E336-R339 PolarHBondContact O-N 3.19Å; E336-Q340 WeakPolarHBondContact O-CG 3.29Å; E336-Q340 PolarHBondContact O-N 3.45Å; E336-Q340 PolarHBondContact OE1-NE2 3.3Å
337L94.5Very high92.9Very high105 Ų105103 Ų10355%0.5550%0.502SS..Hα-helixtrans-60.9-43.5174.5-75.6168.3000112E333 Q334 R339 Q340 M341E333-L337 WeakPolarHBondContact O-CB 3.44Å; E333-L337 VanDerWaalsContact O-CG 3.24Å; E333-L337 WeakPolarHBondContact O-CG 3.39Å; E333-L337 PolarHBondContact O-N 3.18Å; Q334-L337 PolarHBondContact O-N 2.96Å; L337-R339 VanDerWaalsContact C-N 3.3Å; L337-R339 PolarHBondContact O-N 2.92Å; L337-Q340 PolarHBondContact O-N 3.21Å; L337-M341 WeakPolarHBondContact O-CG 3.22Å; L337-M341 PolarHBondContact O-N 2.97Å
338E93Very high93.2Very high72 Ų72106.4 Ų106.434%0.33652%0.524SS..Hα-helixtrans-61.2-37.9174.7-86.3-166.1-137.700112.5Q334 E336 K342Q334-E338 PolarHBondContact NE2-OE1 3.18Å; Q334-E338 WeakPolarHBondContact O-CB 3.37Å; Q334-E338 PolarHBondContact O-N 2.86Å; E336-E338 PolarHBondContact O-N 3.23Å; E338-K342 WeakPolarHBondContact O-CB 3.37Å; E338-K342 VanDerWaalsContact O-CD 3.26Å; E338-K342 WeakPolarHBondContact O-CD 3.48Å; E338-K342 WeakPolarHBondContact O-CG 3.38Å; E338-K342 PolarHBondContact O-N 3.27Å; E338-K342 IonicContact OE2-NZ 2.74Å; E338-K342 PolarHBondContact OE2-NZ 3.38Å
339R94.9Very high93.5Very high152 Ų152103 Ų10357%0.57451%0.51SS*.Hα-helixtrans-65.1-49.4174.2-175.8-169.4-53-124.2-1.6110.9E335 E336 L337 M341 K342 E343E335-R339 WeakPolarHBondContact O-CB 3.33Å; E335-R339 PolarHBondContact O-N 3.49Å; E335-R339 VanDerWaalsContact O-N 3.1Å; E336-R339 WeakPolarHBondContact O-CB 3.23Å; E336-R339 PolarHBondContact O-N 3.19Å; L337-R339 VanDerWaalsContact C-N 3.3Å; L337-R339 PolarHBondContact O-N 2.92Å; R339-M341 VanDerWaalsContact C-N 3.31Å; R339-M341 PolarHBondContact O-N 3.44Å; R339-K342 PolarHBondContact O-N 3.48Å; R339-K342 VanDerWaalsContact O-N 3.12Å; R339-E343 WeakPolarHBondContact CD-OE1 3.5Å; R339-E343 VanDerWaalsContact CG-OE1 3.28Å; R339-E343 WeakPolarHBondContact CG-OE1 3.39Å; R339-E343 WeakPolarHBondContact O-CG 3.42Å; R339-E343 PolarHBondContact O-N 3.3Å
340Q95.6Very high93.7Very high85 Ų85100 Ų10040%0.39751%0.505SS..Hα-helixtrans-59.3-40.5177.5-69.7176.815.400111.5E336 L337 E343 L344E336-Q340 WeakPolarHBondContact O-CG 3.29Å; E336-Q340 PolarHBondContact O-N 3.45Å; E336-Q340 PolarHBondContact OE1-NE2 3.3Å; L337-Q340 PolarHBondContact O-N 3.21Å; Q340-E343 PolarHBondContact O-N 3.5Å; Q340-L344 VanDerWaalsContact O-CB 3.29Å; Q340-L344 WeakPolarHBondContact O-CB 3.31Å; Q340-L344 WeakPolarHBondContact O-CG 3.34Å; Q340-L344 PolarHBondContact O-N 2.93Å
341M94.4Very high93.9Very high127 Ų127101.1 Ų101.163%0.62651%0.508SS*.Hα-helixtrans-62.8-43.2173.6-71.8-158.7-5300112.6L337 R339 L344 Q345L337-M341 WeakPolarHBondContact O-CG 3.22Å; L337-M341 PolarHBondContact O-N 2.97Å; R339-M341 VanDerWaalsContact C-N 3.31Å; R339-M341 PolarHBondContact O-N 3.44Å; M341-L344 PolarHBondContact O-N 3.02Å; M341-Q345 WeakPolarHBondContact O-CB 3.29Å; M341-Q345 PolarHBondContact O-N 3.39Å
342K95.4Very high94.1Very high116 Ų116101.1 Ų101.150%0.50451%0.505SS..Hα-helixtrans-66.1-40.8178.5-70.7159.2-165.1163.10111.4E338 R339 Q345 V346E338-K342 WeakPolarHBondContact O-CB 3.37Å; E338-K342 VanDerWaalsContact O-CD 3.26Å; E338-K342 WeakPolarHBondContact O-CD 3.48Å; E338-K342 WeakPolarHBondContact O-CG 3.38Å; E338-K342 PolarHBondContact O-N 3.27Å; E338-K342 IonicContact OE2-NZ 2.74Å; E338-K342 PolarHBondContact OE2-NZ 3.38Å; R339-K342 PolarHBondContact O-N 3.48Å; R339-K342 VanDerWaalsContact O-N 3.12Å; K342-Q345 PolarHBondContact O-N 2.98Å; K342-V346 WeakPolarHBondContact O-CG2 3.49Å; K342-V346 PolarHBondContact O-N 3.26Å
343E94.6Very high94.2Very high119 Ų119104.9 Ų104.956%0.55651%0.514SS*.Hα-helixtrans-65.3-44174.6-71.9173.5-167.100111.9R339 Q340 V346 A347R339-E343 WeakPolarHBondContact CD-OE1 3.5Å; R339-E343 VanDerWaalsContact CG-OE1 3.28Å; R339-E343 WeakPolarHBondContact CG-OE1 3.39Å; R339-E343 WeakPolarHBondContact O-CG 3.42Å; R339-E343 PolarHBondContact O-N 3.3Å; Q340-E343 PolarHBondContact O-N 3.5Å; E343-V346 PolarHBondContact O-N 2.86Å; E343-A347 WeakPolarHBondContact O-CB 3.49Å; E343-A347 PolarHBondContact O-N 3.12Å
344L95.2Very high94.3Very high122 Ų122106.7 Ų106.764%0.63952%0.522SS*.Hα-helixtrans-64.2-38.5174.6-75.2170.1000112.5Q340 M341 A347 N348Q340-L344 VanDerWaalsContact O-CB 3.29Å; Q340-L344 WeakPolarHBondContact O-CB 3.31Å; Q340-L344 WeakPolarHBondContact O-CG 3.34Å; Q340-L344 PolarHBondContact O-N 2.93Å; M341-L344 PolarHBondContact O-N 3.02Å; L344-A347 PolarHBondContact O-N 3.33Å; L344-N348 VanDerWaalsContact O-CB 3.29Å; L344-N348 WeakPolarHBondContact O-CB 3.32Å; L344-N348 PolarHBondContact O-N 3.07Å
345Q94.1Very high94.5Very high115 Ų115106.3 Ų106.354%0.53752%0.523SS..Hα-helixtrans-62.7-51.2175.5179.8176.9-16.700110.9M341 K342 A347 N348 E349M341-Q345 WeakPolarHBondContact O-CB 3.29Å; M341-Q345 PolarHBondContact O-N 3.39Å; K342-Q345 PolarHBondContact O-N 2.98Å; Q345-A347 VanDerWaalsContact C-N 3.32Å; Q345-A347 PolarHBondContact O-N 3.16Å; Q345-N348 PolarHBondContact O-N 3.29Å; Q345-N348 VanDerWaalsContact O-N 3.12Å; Q345-E349 HydrophobicContact CG-CG 4.44Å; Q345-E349 VanDerWaalsContact CG-OE1 3.27Å; Q345-E349 WeakPolarHBondContact CG-OE1 3.46Å; Q345-E349 PolarHBondContact NE2-OE1 3.29Å; Q345-E349 WeakPolarHBondContact O-CG 3.34Å; Q345-E349 PolarHBondContact O-N 3.48Å
346V96Very high94.6Very high95 Ų95106.1 Ų106.158%0.57652%0.522SS*.Hα-helixtrans-60.9-40.3177.8171.60000111.5K342 E343 N348 E349 S350K342-V346 WeakPolarHBondContact O-CG2 3.49Å; K342-V346 PolarHBondContact O-N 3.26Å; E343-V346 PolarHBondContact O-N 2.86Å; V346-N348 VanDerWaalsContact C-N 3.34Å; V346-N348 PolarHBondContact O-N 2.85Å; V346-E349 PolarHBondContact O-N 2.95Å; V346-S350 WeakPolarHBondContact O-CB 3.29Å; V346-S350 PolarHBondContact O-N 3.15Å
347A95.4Very high94.7Very high59 Ų59102.9 Ų102.949%0.48852%0.515SS..Hα-helixtrans-63.9-38.4175.300000112.4E343 L344 Q345 K351E343-A347 WeakPolarHBondContact O-CB 3.49Å; E343-A347 PolarHBondContact O-N 3.12Å; L344-A347 PolarHBondContact O-N 3.33Å; Q345-A347 VanDerWaalsContact C-N 3.32Å; Q345-A347 PolarHBondContact O-N 3.16Å; A347-K351 VanDerWaalsContact O-CB 3.31Å; A347-K351 WeakPolarHBondContact O-CB 3.39Å; A347-K351 PolarHBondContact O-N 2.76Å
348N95.4Very high94.7Very high112 Ų112101.6 Ų101.660%0.59951%0.511SS*.Hα-helixtrans-71.2-40.7177.1-167.249.9000112.2L344 Q345 V346 K351 Q352L344-N348 VanDerWaalsContact O-CB 3.29Å; L344-N348 WeakPolarHBondContact O-CB 3.32Å; L344-N348 PolarHBondContact O-N 3.07Å; Q345-N348 PolarHBondContact O-N 3.29Å; Q345-N348 VanDerWaalsContact O-N 3.12Å; V346-N348 VanDerWaalsContact C-N 3.34Å; V346-N348 PolarHBondContact O-N 2.85Å; N348-K351 PolarHBondContact O-N 3.47Å; N348-Q352 WeakPolarHBondContact O-CB 3.27Å; N348-Q352 PolarHBondContact O-N 2.78Å
349E95.6Very high94.8Very high91 Ų91106.7 Ų106.743%0.42553%0.527SS..Hα-helixtrans-62.3-44.9173.7-72.9173.2-168.400111.6Q345 V346 K351 Q352 Q353Q345-E349 HydrophobicContact CG-CG 4.44Å; Q345-E349 VanDerWaalsContact CG-OE1 3.27Å; Q345-E349 WeakPolarHBondContact CG-OE1 3.46Å; Q345-E349 PolarHBondContact NE2-OE1 3.29Å; Q345-E349 WeakPolarHBondContact O-CG 3.34Å; Q345-E349 PolarHBondContact O-N 3.48Å; V346-E349 PolarHBondContact O-N 2.95Å; E349-K351 PolarHBondContact O-N 2.9Å; E349-Q352 PolarHBondContact O-N 3.48Å; E349-Q353 WeakPolarHBondContact O-CG 3.48Å; E349-Q353 PolarHBondContact O-N 3.02Å
350S95.3Very high94.8Very high58 Ų58105.5 Ų105.541%0.40653%0.527SS..Hα-helixtrans-60-44.6173.9-170.30000111.7V346 Q352 Q353 E354V346-S350 WeakPolarHBondContact O-CB 3.29Å; V346-S350 PolarHBondContact O-N 3.15Å; S350-Q352 VanDerWaalsContact C-N 3.34Å; S350-Q352 PolarHBondContact O-N 3.24Å; S350-Q353 PolarHBondContact O-N 3Å; S350-E354 PolarHBondContact O-N 3.49Å
351K95.3Very high94.8Very high127 Ų127108.4 Ų108.455%0.55254%0.538SS*.Hα-helixtrans-66.4-34.7178.3-171.4174.5-177177.90112.5A347 N348 E349 E354 L355A347-K351 VanDerWaalsContact O-CB 3.31Å; A347-K351 WeakPolarHBondContact O-CB 3.39Å; A347-K351 PolarHBondContact O-N 2.76Å; N348-K351 PolarHBondContact O-N 3.47Å; E349-K351 PolarHBondContact O-N 2.9Å; K351-E354 PolarHBondContact O-N 3.45Å; K351-L355 HydrophobicContact CG-CD1 4.5Å; K351-L355 VanDerWaalsContact O-CG 3.3Å; K351-L355 WeakPolarHBondContact O-CG 3.41Å; K351-L355 PolarHBondContact O-N 2.88Å
352Q92.1Very high94.8Very high95 Ų95107.9 Ų107.944%0.44454%0.537SS..Hα-helixtrans-65-44.2173.3-17861.722.600111.1N348 E349 S350 E354 L355 E356N348-Q352 WeakPolarHBondContact O-CB 3.27Å; N348-Q352 PolarHBondContact O-N 2.78Å; E349-Q352 PolarHBondContact O-N 3.48Å; S350-Q352 VanDerWaalsContact C-N 3.34Å; S350-Q352 PolarHBondContact O-N 3.24Å; Q352-E354 VanDerWaalsContact C-N 3.34Å; Q352-E354 PolarHBondContact O-N 3.43Å; Q352-L355 PolarHBondContact O-N 3.33Å; Q352-E356 PolarHBondContact NE2-OE1 3.42Å; Q352-E356 WeakPolarHBondContact O-CG 3.26Å; Q352-E356 PolarHBondContact O-N 2.96Å
353Q94.2Very high94.7Very high131 Ų131108.3 Ų108.361%0.61254%0.541SS*.Hα-helixtrans-61.8-39.3174.6-68.1173.426.600112.4E349 S350 E356 A357E349-Q353 WeakPolarHBondContact O-CG 3.48Å; E349-Q353 PolarHBondContact O-N 3.02Å; S350-Q353 PolarHBondContact O-N 3Å; Q353-E356 PolarHBondContact O-N 2.86Å; Q353-A357 VanDerWaalsContact O-CB 3.29Å; Q353-A357 WeakPolarHBondContact O-CB 3.33Å; Q353-A357 PolarHBondContact O-N 3.31Å
354E95.1Very high94.7Very high125 Ų125105.8 Ų105.858%0.58453%0.529SS*.Hα-helixtrans-61.9-45.9172.9-74.4177.9-17400112.3S350 K351 Q352 E356 A357 V358S350-E354 PolarHBondContact O-N 3.49Å; K351-E354 PolarHBondContact O-N 3.45Å; Q352-E354 VanDerWaalsContact C-N 3.34Å; Q352-E354 PolarHBondContact O-N 3.43Å; E354-E356 PolarHBondContact O-N 2.97Å; E354-A357 PolarHBondContact O-N 3.27Å; E354-V358 WeakPolarHBondContact O-CB 3.3Å; E354-V358 WeakPolarHBondContact O-CG2 3.4Å; E354-V358 PolarHBondContact O-N 3.46Å
355L93.4Very high94.5Very high100 Ų100102.6 Ų102.652%0.52452%0.52SS..Hα-helixtrans-63.1-40.2177.9-72.9169.3000112.1K351 Q352 V358 R359K351-L355 HydrophobicContact CG-CD1 4.5Å; K351-L355 VanDerWaalsContact O-CG 3.3Å; K351-L355 WeakPolarHBondContact O-CG 3.41Å; K351-L355 PolarHBondContact O-N 2.88Å; Q352-L355 PolarHBondContact O-N 3.33Å; L355-V358 PolarHBondContact O-N 3.36Å; L355-R359 WeakPolarHBondContact O-CB 3.43Å; L355-R359 PolarHBondContact O-N 2.94Å
356E93.3Very high94.5Very high109 Ų109100 Ų10051%0.50952%0.519SS..Hα-helixtrans-67.9-40.3174.9-73.1175.9-165.400112.1Q352 Q353 E354 R359 K360Q352-E356 PolarHBondContact NE2-OE1 3.42Å; Q352-E356 WeakPolarHBondContact O-CG 3.26Å; Q352-E356 PolarHBondContact O-N 2.96Å; Q353-E356 PolarHBondContact O-N 2.86Å; E354-E356 PolarHBondContact O-N 2.97Å; E356-R359 PolarHBondContact O-N 2.75Å; E356-K360 WeakPolarHBondContact O-CB 3.33Å; E356-K360 PolarHBondContact O-N 3.2Å
357A95.9Very high94.3Very high46 Ų4698.6 Ų98.638%0.3851%0.513SS..Hα-helixtrans-65.4-37.3174.300000112.5Q353 E354 K361Q353-A357 VanDerWaalsContact O-CB 3.29Å; Q353-A357 WeakPolarHBondContact O-CB 3.33Å; Q353-A357 PolarHBondContact O-N 3.31Å; E354-A357 PolarHBondContact O-N 3.27Å; A357-K361 WeakPolarHBondContact O-CB 3.45Å; A357-K361 VanDerWaalsContact O-CG 3.26Å; A357-K361 WeakPolarHBondContact O-CG 3.35Å; A357-K361 PolarHBondContact O-N 3.09Å; A357-K361 VanDerWaalsContact O-N 3.09Å
358V95.6Very high94.2Very high78 Ų78103 Ų10347%0.47352%0.517SS..Hα-helixtrans-67.3-46.5172.7168.80000110.7E354 L355 K360 K361 L362E354-V358 WeakPolarHBondContact O-CB 3.3Å; E354-V358 WeakPolarHBondContact O-CG2 3.4Å; E354-V358 PolarHBondContact O-N 3.46Å; L355-V358 PolarHBondContact O-N 3.36Å; V358-K360 PolarHBondContact O-N 2.87Å; V358-K361 PolarHBondContact O-N 3.45Å; V358-L362 HydrophobicContact CG1-CD1 4.01Å; V358-L362 HydrophobicContact CG1-CG 4.49Å; V358-L362 WeakPolarHBondContact O-CG 3.5Å; V358-L362 PolarHBondContact O-N 2.89Å
359R94.8Very high94Very high178 Ų178100.3 Ų100.367%0.67251%0.511SS*.Hα-helixtrans-55.9-48.3175.7178.4179.7172.1175.6-0.5111.5L355 E356 K361 L362 E363L355-R359 WeakPolarHBondContact O-CB 3.43Å; L355-R359 PolarHBondContact O-N 2.94Å; E356-R359 PolarHBondContact O-N 2.75Å; R359-K361 PolarHBondContact O-N 3.36Å; R359-L362 PolarHBondContact O-N 2.8Å; R359-E363 PolarHBondContact O-N 3.44Å
360K95Very high93.9Very high128 Ų12898.7 Ų98.756%0.55751%0.512SS*.Hα-helixtrans-61.8-40.9177.8-174.1171.7-171.7-79.50112.3E356 V358 L362 E363 E364E356-K360 WeakPolarHBondContact O-CB 3.33Å; E356-K360 PolarHBondContact O-N 3.2Å; V358-K360 PolarHBondContact O-N 2.87Å; K360-L362 VanDerWaalsContact C-N 3.35Å; K360-L362 PolarHBondContact O-N 2.69Å; K360-E363 PolarHBondContact O-N 3.31Å; K360-E364 IonicContact NZ-OE1 2.73Å; K360-E364 PolarHBondContact NZ-OE1 2.88Å; K360-E364 WeakPolarHBondContact O-CB 3.42Å; K360-E364 WeakPolarHBondContact O-CG 3.3Å; K360-E364 PolarHBondContact O-N 2.93Å
361K95.3Very high93.7Very high146 Ų146101 Ų10164%0.63552%0.517SS*.Hα-helixtrans-63.1-38.1174.6-75.5169.2-177.7174.20112.6A357 V358 R359 A365A357-K361 WeakPolarHBondContact O-CB 3.45Å; A357-K361 VanDerWaalsContact O-CG 3.26Å; A357-K361 WeakPolarHBondContact O-CG 3.35Å; A357-K361 PolarHBondContact O-N 3.09Å; A357-K361 VanDerWaalsContact O-N 3.09Å; V358-K361 PolarHBondContact O-N 3.45Å; R359-K361 PolarHBondContact O-N 3.36Å; K361-A365 VanDerWaalsContact O-CB 3.3Å; K361-A365 WeakPolarHBondContact O-CB 3.47Å; K361-A365 PolarHBondContact O-N 2.88Å
362L93.9Very high93.5Very high115 Ų11599.7 Ų99.760%0.60251%0.513SS*.Hα-helixtrans-67.3-40.4175.5-69.7167.3000111.7V358 R359 K360 A365 A366V358-L362 HydrophobicContact CG1-CD1 4.01Å; V358-L362 HydrophobicContact CG1-CG 4.49Å; V358-L362 WeakPolarHBondContact O-CG 3.5Å; V358-L362 PolarHBondContact O-N 2.89Å; R359-L362 PolarHBondContact O-N 2.8Å; K360-L362 VanDerWaalsContact C-N 3.35Å; K360-L362 PolarHBondContact O-N 2.69Å; L362-A365 PolarHBondContact O-N 3.33Å; L362-A366 WeakPolarHBondContact O-CB 3.43Å; L362-A366 PolarHBondContact O-N 2.93Å
363E94.1Very high93.3Very high126 Ų126101.1 Ų101.159%0.58952%0.519SS*.Hα-helixtrans-68.5-40.6177.1-168.9167.1-176.900112.3R359 K360 A366 S367R359-E363 PolarHBondContact O-N 3.44Å; K360-E363 PolarHBondContact O-N 3.31Å; E363-A366 PolarHBondContact O-N 3.19Å; E363-S367 WeakPolarHBondContact O-CB 3.14Å; E363-S367 PolarHBondContact O-N 3.45Å; E363-S367 PolarHBondContact O-OG 3.4Å
364E93.4Very high93.2Very high65 Ų65101.1 Ų101.130%0.30452%0.517SS..Hα-helixtrans-64.9-34.4170-76.3-173.9-143.800113K360 S367 R368K360-E364 IonicContact NZ-OE1 2.73Å; K360-E364 PolarHBondContact NZ-OE1 2.88Å; K360-E364 WeakPolarHBondContact O-CB 3.42Å; K360-E364 WeakPolarHBondContact O-CG 3.3Å; K360-E364 PolarHBondContact O-N 2.93Å; E364-S367 WeakPolarHBondContact CA-OG 3.43Å; E364-S367 PolarHBondContact O-OG 3.14Å; E364-R368 WeakPolarHBondContact O-CB 3.4Å; E364-R368 WeakPolarHBondContact O-CD 3.46Å; E364-R368 WeakPolarHBondContact O-CG 3.47Å; E364-R368 PolarHBondContact O-N 3.23Å; E364-R368 PolarHBondContact O-NE 3.32Å; E364-R368 IonicContact OE2-CZ 3.79Å; E364-R368 IonicContact OE2-NH2 2.59Å; E364-R368 PolarHBondContact OE2-NH2 2.91Å
365A92.6Very high93Very high55 Ų55100.1 Ų100.146%0.45551%0.511SS..Hα-helixtrans-71.5-42.8175.200000111.7K361 L362 R368 A369K361-A365 VanDerWaalsContact O-CB 3.3Å; K361-A365 WeakPolarHBondContact O-CB 3.47Å; K361-A365 PolarHBondContact O-N 2.88Å; L362-A365 PolarHBondContact O-N 3.33Å; A365-R368 PolarHBondContact O-N 2.98Å; A365-A369 WeakPolarHBondContact O-CB 3.37Å; A365-A369 PolarHBondContact O-N 3.49Å
366A93Very high93Very high62 Ų62102.9 Ų102.951%0.51252%0.515SS..Hα-helixtrans-64.8-42.6178.800000112.3L362 E363 A369 A370L362-A366 WeakPolarHBondContact O-CB 3.43Å; L362-A366 PolarHBondContact O-N 2.93Å; E363-A366 PolarHBondContact O-N 3.19Å; A366-A369 PolarHBondContact O-N 2.92Å; A366-A370 WeakPolarHBondContact O-CB 3.37Å; A366-A370 PolarHBondContact O-N 2.77Å
367S92.8Very high92.9Very high64 Ų64102 Ų10245%0.44851%0.513SS..Hα-helixtrans-65-42.2175.8470000112.6E363 E364 A370 E371E363-S367 WeakPolarHBondContact O-CB 3.14Å; E363-S367 PolarHBondContact O-N 3.45Å; E363-S367 PolarHBondContact O-OG 3.4Å; E364-S367 WeakPolarHBondContact CA-OG 3.43Å; E364-S367 PolarHBondContact O-OG 3.14Å; S367-A370 PolarHBondContact O-N 3.01Å; S367-E371 PolarHBondContact O-N 2.71Å
368R92.8Very high92.7Very high151 Ų151104.8 Ų104.857%0.5752%0.518SS*.Hα-helixtrans-62.3-41.5172.7-69.4170.4-152.1-159.78.4112.4E364 A365 E371 E372E364-R368 WeakPolarHBondContact O-CB 3.4Å; E364-R368 WeakPolarHBondContact O-CD 3.46Å; E364-R368 WeakPolarHBondContact O-CG 3.47Å; E364-R368 PolarHBondContact O-N 3.23Å; E364-R368 PolarHBondContact O-NE 3.32Å; E364-R368 IonicContact OE2-CZ 3.79Å; E364-R368 IonicContact OE2-NH2 2.59Å; E364-R368 PolarHBondContact OE2-NH2 2.91Å; A365-R368 PolarHBondContact O-N 2.98Å; R368-E371 WeakPolarHBondContact O-CB 3.48Å; R368-E371 PolarHBondContact O-N 2.94Å; R368-E372 PolarHBondContact O-N 3.36Å
369A90.9Very high92.5Very high57 Ų57104.8 Ų104.847%0.47152%0.518SS..Hα-helixtrans-63.5-43.9176.600000112A365 A366 E371 E372 E373A365-A369 WeakPolarHBondContact O-CB 3.37Å; A365-A369 PolarHBondContact O-N 3.49Å; A366-A369 PolarHBondContact O-N 2.92Å; A369-E371 VanDerWaalsContact C-N 3.35Å; A369-E371 PolarHBondContact O-N 3.46Å; A369-E372 PolarHBondContact O-N 2.66Å; A369-E373 WeakPolarHBondContact O-CB 3.49Å; A369-E373 PolarHBondContact O-N 2.76Å
370A92.7Very high92.1Very high56 Ų56101.6 Ų101.646%0.46351%0.511SS..Hα-helixtrans-65.3-35.6175.100000112.6A366 S367 K374A366-A370 WeakPolarHBondContact O-CB 3.37Å; A366-A370 PolarHBondContact O-N 2.77Å; S367-A370 PolarHBondContact O-N 3.01Å; A370-K374 VanDerWaalsContact O-CB 3.26Å; A370-K374 WeakPolarHBondContact O-CB 3.32Å; A370-K374 PolarHBondContact O-N 2.86Å
371E91.6Very high92Very high108 Ų10899.9 Ų99.951%0.50551%0.511SS..Hα-helixtrans-64.4-42.5170.4-90.5-164.1-142.800112.8S367 R368 A369 K375S367-E371 PolarHBondContact O-N 2.71Å; R368-E371 WeakPolarHBondContact O-CB 3.48Å; R368-E371 PolarHBondContact O-N 2.94Å; A369-E371 VanDerWaalsContact C-N 3.35Å; A369-E371 PolarHBondContact O-N 3.46Å; E371-K375 WeakPolarHBondContact O-CB 3.49Å; E371-K375 VanDerWaalsContact O-CD 3.32Å; E371-K375 WeakPolarHBondContact O-CD 3.35Å; E371-K375 WeakPolarHBondContact O-CG 3.26Å; E371-K375 PolarHBondContact O-N 3.32Å; E371-K375 IonicContact OE2-NZ 3.84Å; E371-K375 PolarHBondContact OE2-NZ 2.88Å
372E90.4Very high91.8Very high99 Ų9997.7 Ų97.746%0.46350%0.503SS..Hα-helixtrans-64.3-44.8175.2-82.5-167.4-143.100112R368 A369 K375 R376R368-E372 PolarHBondContact O-N 3.36Å; A369-E372 PolarHBondContact O-N 2.66Å; E372-K375 PolarHBondContact O-N 3.24Å; E372-R376 WeakPolarHBondContact O-CB 3.18Å; E372-R376 WeakPolarHBondContact O-CG 3.5Å; E372-R376 PolarHBondContact O-N 3.23Å; E372-R376 IonicContact OE2-CZ 3.7Å; E372-R376 IonicContact OE2-NE 3.13Å; E372-R376 IonicContact OE2-NH2 2.62Å; E372-R376 PolarHBondContact OE2-NH2 3.33Å
373E88.9Confident91.7Very high125 Ų12596.6 Ų96.658%0.58450%0.498SS*.Hα-helixtrans-59.8-46.4175.8-176.6171.1-15100111A369 K375 R376 L377A369-E373 WeakPolarHBondContact O-CB 3.49Å; A369-E373 PolarHBondContact O-N 2.76Å; E373-K375 PolarHBondContact O-N 2.92Å; E373-R376 PolarHBondContact O-N 3.49Å; E373-L377 HydrophobicContact CG-CD1 4.14Å; E373-L377 WeakPolarHBondContact O-CB 3.42Å; E373-L377 WeakPolarHBondContact O-CG 3.22Å; E373-L377 PolarHBondContact O-N 3.25Å
374K91.5Very high91.4Very high130 Ų13096.3 Ų96.357%0.56550%0.496SS*.Hα-helixtrans-58.6-43.7174-176177.1178.5-179.70112.3A370 L377 Q378A370-K374 VanDerWaalsContact O-CB 3.26Å; A370-K374 WeakPolarHBondContact O-CB 3.32Å; A370-K374 PolarHBondContact O-N 2.86Å; K374-L377 PolarHBondContact O-N 2.94Å; K374-Q378 WeakPolarHBondContact O-CB 3.27Å; K374-Q378 VanDerWaalsContact O-CG 3.28Å; K374-Q378 WeakPolarHBondContact O-CG 3.49Å; K374-Q378 PolarHBondContact O-N 2.93Å
375K92.3Very high91.2Very high105 Ų10595.8 Ų95.846%0.45750%0.503SS..Hα-helixtrans-64.4-42.6176.9-72.4160-165.9164.30111.5E371 E372 E373 Q378 T379E371-K375 WeakPolarHBondContact O-CB 3.49Å; E371-K375 VanDerWaalsContact O-CD 3.32Å; E371-K375 WeakPolarHBondContact O-CD 3.35Å; E371-K375 WeakPolarHBondContact O-CG 3.26Å; E371-K375 PolarHBondContact O-N 3.32Å; E371-K375 IonicContact OE2-NZ 3.84Å; E371-K375 PolarHBondContact OE2-NZ 2.88Å; E372-K375 PolarHBondContact O-N 3.24Å; E373-K375 PolarHBondContact O-N 2.92Å; K375-Q378 PolarHBondContact O-N 3.42Å; K375-T379 WeakPolarHBondContact O-CG2 3.28Å; K375-T379 PolarHBondContact O-N 2.94Å; K375-T379 PolarHBondContact O-OG1 2.89Å
376R92.1Very high91.1Very high158 Ų15899.7 Ų99.760%0.59651%0.506SS*.Hα-helixtrans-60.1-49.5175.2-68.9166.9-163.3-159.37.1110.9E372 E373 Q378 T379 Q380E372-R376 WeakPolarHBondContact O-CB 3.18Å; E372-R376 WeakPolarHBondContact O-CG 3.5Å; E372-R376 PolarHBondContact O-N 3.23Å; E372-R376 IonicContact OE2-CZ 3.7Å; E372-R376 IonicContact OE2-NE 3.13Å; E372-R376 IonicContact OE2-NH2 2.62Å; E372-R376 PolarHBondContact OE2-NH2 3.33Å; E373-R376 PolarHBondContact O-N 3.49Å; R376-Q378 PolarHBondContact O-N 3.03Å; R376-T379 PolarHBondContact O-N 2.88Å; R376-T379 PolarHBondContact O-OG1 3.45Å; R376-Q380 PolarHBondContact O-N 3.01Å
377L92.4Very high90.9Very high91 Ų91103 Ų10348%0.47651%0.509SS..Hα-helixtrans-59.6-43.1175.9-70.9169.6000112E373 K374 Q380 V381E373-L377 HydrophobicContact CG-CD1 4.14Å; E373-L377 WeakPolarHBondContact O-CB 3.42Å; E373-L377 WeakPolarHBondContact O-CG 3.22Å; E373-L377 PolarHBondContact O-N 3.25Å; K374-L377 PolarHBondContact O-N 2.94Å; L377-Q380 PolarHBondContact O-N 3.25Å; L377-V381 WeakPolarHBondContact O-CG2 3.49Å; L377-V381 PolarHBondContact O-N 2.89Å
378Q90.5Very high90.8Very high103 Ų103102.8 Ų102.848%0.48151%0.507SS..Hα-helixtrans-59.4-47.1174.3-76176.6-57.200111.8K374 K375 R376 Q380 V381 E382K374-Q378 WeakPolarHBondContact O-CB 3.27Å; K374-Q378 VanDerWaalsContact O-CG 3.28Å; K374-Q378 WeakPolarHBondContact O-CG 3.49Å; K374-Q378 PolarHBondContact O-N 2.93Å; K375-Q378 PolarHBondContact O-N 3.42Å; R376-Q378 PolarHBondContact O-N 3.03Å; Q378-Q380 VanDerWaalsContact C-N 3.3Å; Q378-Q380 PolarHBondContact O-N 3.22Å; Q378-V381 PolarHBondContact O-N 3.28Å; Q378-E382 PolarHBondContact O-N 3.37Å
379T91.1Very high90.6Very high79 Ų7998.3 Ų98.349%0.48550%0.496SS..Hα-helixtrans-63.7-34176.855.90000113.1K375 R376 L383K375-T379 WeakPolarHBondContact O-CG2 3.28Å; K375-T379 PolarHBondContact O-N 2.94Å; K375-T379 PolarHBondContact O-OG1 2.89Å; R376-T379 PolarHBondContact O-N 2.88Å; R376-T379 PolarHBondContact O-OG1 3.45Å; T379-L383 WeakPolarHBondContact O-CB 3.44Å; T379-L383 VanDerWaalsContact O-CG 3.27Å; T379-L383 WeakPolarHBondContact O-CG 3.28Å; T379-L383 PolarHBondContact O-N 3.45Å
380Q87.5Confident90.4Very high110 Ų110100.3 Ų100.351%0.51450%0.496SS..Hα-helixtrans-68-42.8175.6-172176.712.600111.9R376 L377 Q378 L383 Q384R376-Q380 PolarHBondContact O-N 3.01Å; L377-Q380 PolarHBondContact O-N 3.25Å; Q378-Q380 VanDerWaalsContact C-N 3.3Å; Q378-Q380 PolarHBondContact O-N 3.22Å; Q380-L383 PolarHBondContact O-N 3.27Å; Q380-Q384 WeakPolarHBondContact O-CG 3.42Å; Q380-Q384 PolarHBondContact O-N 2.96Å
381V92.9Very high90.3Very high92 Ų92101.5 Ų101.556%0.55849%0.494SS*.Hα-helixtrans-66.6-40.9175.9171.30000111.3L377 Q378 L383 Q384 A385L377-V381 WeakPolarHBondContact O-CG2 3.49Å; L377-V381 PolarHBondContact O-N 2.89Å; Q378-V381 PolarHBondContact O-N 3.28Å; V381-L383 PolarHBondContact O-N 2.94Å; V381-Q384 PolarHBondContact O-N 2.95Å; V381-A385 WeakPolarHBondContact O-CB 3.38Å; V381-A385 PolarHBondContact O-N 3.48Å
382E90.8Very high90Very high100 Ų100101.7 Ų101.747%0.46750%0.495SS..Hα-helixtrans-60.6-42.4173.5-82.5-170.6-14000112.5Q378 A385 R386Q378-E382 PolarHBondContact O-N 3.37Å; E382-A385 PolarHBondContact O-N 2.98Å; E382-R386 VanDerWaalsContact O-CG 3.28Å; E382-R386 WeakPolarHBondContact O-CG 3.07Å; E382-R386 PolarHBondContact O-N 3.39Å; E382-R386 IonicContact OE2-CZ 2.65Å; E382-R386 IonicContact OE2-NH2 2.73Å; E382-R386 PolarHBondContact OE2-NH2 3.45Å
383L91.3Very high89.8Confident93 Ų93104.3 Ų104.349%0.48750%0.501SS..Hα-helixtrans-64.2-45176.5-74.5166.7000111.3T379 Q380 V381 A385 R386 F387T379-L383 WeakPolarHBondContact O-CB 3.44Å; T379-L383 VanDerWaalsContact O-CG 3.27Å; T379-L383 WeakPolarHBondContact O-CG 3.28Å; T379-L383 PolarHBondContact O-N 3.45Å; Q380-L383 PolarHBondContact O-N 3.27Å; V381-L383 PolarHBondContact O-N 2.94Å; L383-A385 VanDerWaalsContact C-N 3.34Å; L383-A385 PolarHBondContact O-N 3.48Å; L383-R386 PolarHBondContact O-N 2.88Å; L383-F387 HydrophobicContact CB-CE2 4.38Å; L383-F387 WeakPolarHBondContact O-CD2 3.41Å; L383-F387 WeakPolarHBondContact O-CG 3.49Å; L383-F387 PolarHBondContact O-N 3.2Å
384Q87.5Confident89.7Confident120 Ų120104.5 Ų104.556%0.56150%0.502SS*.Hα-helixtrans-60.4-41.6174.8-74.3178.2-16.500112.3Q380 V381 F387 S388Q380-Q384 WeakPolarHBondContact O-CG 3.42Å; Q380-Q384 PolarHBondContact O-N 2.96Å; V381-Q384 PolarHBondContact O-N 2.95Å; Q384-F387 PolarHBondContact O-N 3.42Å; Q384-S388 PolarHBondContact O-N 2.89Å
385A90.3Very high89.4Confident53 Ų53103.8 Ų103.844%0.43850%0.499SS..Hα-helixtrans-63.3-43.9175.500000112V381 E382 L383 S388 T389V381-A385 WeakPolarHBondContact O-CB 3.38Å; V381-A385 PolarHBondContact O-N 3.48Å; E382-A385 PolarHBondContact O-N 2.98Å; L383-A385 VanDerWaalsContact C-N 3.34Å; L383-A385 PolarHBondContact O-N 3.48Å; A385-S388 WeakPolarHBondContact O-CB 3.39Å; A385-S388 PolarHBondContact O-N 3.39Å; A385-T389 WeakPolarHBondContact O-CG2 3.49Å; A385-T389 PolarHBondContact O-N 3.41Å
386R89.6Confident89.3Confident138 Ų138103.2 Ų103.252%0.52150%0.5SS..Hα-helixtrans-58.6-52.2175.2-71.2172.2-158.7-151.88.5111E382 L383 S388 T389 E390E382-R386 VanDerWaalsContact O-CG 3.28Å; E382-R386 WeakPolarHBondContact O-CG 3.07Å; E382-R386 PolarHBondContact O-N 3.39Å; E382-R386 IonicContact OE2-CZ 2.65Å; E382-R386 IonicContact OE2-NH2 2.73Å; E382-R386 PolarHBondContact OE2-NH2 3.45Å; L383-R386 PolarHBondContact O-N 2.88Å; R386-S388 VanDerWaalsContact C-N 3.27Å; R386-S388 PolarHBondContact O-N 3.35Å; R386-T389 PolarHBondContact O-N 2.9Å; R386-T389 PolarHBondContact O-OG1 2.78Å; R386-E390 WeakPolarHBondContact O-CG 3.47Å; R386-E390 PolarHBondContact O-N 3.05Å
387F89.9Confident89.2Confident132 Ų132101 Ų10158%0.57950%0.499SS*.Hα-helixtrans-57.5-37.5176.6-69.6-52.3000112.9L383 Q384 E390 L391L383-F387 HydrophobicContact CB-CE2 4.38Å; L383-F387 WeakPolarHBondContact O-CD2 3.41Å; L383-F387 WeakPolarHBondContact O-CG 3.49Å; L383-F387 PolarHBondContact O-N 3.2Å; Q384-F387 PolarHBondContact O-N 3.42Å; F387-E390 PolarHBondContact O-N 3.01Å; F387-L391 WeakPolarHBondContact O-CB 3.33Å; F387-L391 PolarHBondContact O-N 2.95Å
388S90.4Very high88.8Confident58 Ų58104.4 Ų104.441%0.40651%0.506SS..Hα-helixtrans-62.3-46.7173.8-162.40000111.7Q384 A385 R386 E390 L391 E392Q384-S388 PolarHBondContact O-N 2.89Å; A385-S388 WeakPolarHBondContact O-CB 3.39Å; A385-S388 PolarHBondContact O-N 3.39Å; R386-S388 VanDerWaalsContact C-N 3.27Å; R386-S388 PolarHBondContact O-N 3.35Å; S388-E390 VanDerWaalsContact C-N 3.32Å; S388-E390 PolarHBondContact O-N 3.28Å; S388-L391 PolarHBondContact O-N 2.97Å; S388-E392 WeakPolarHBondContact O-CG 3.45Å; S388-E392 PolarHBondContact O-N 3.43Å
389T88.6Confident88.6Confident57 Ų57104.9 Ų104.935%0.3551%0.508SS..Hα-helixtrans-68.7-28.5178.362.30000113.5A385 R386 R393A385-T389 WeakPolarHBondContact O-CG2 3.49Å; A385-T389 PolarHBondContact O-N 3.41Å; R386-T389 PolarHBondContact O-N 2.9Å; R386-T389 PolarHBondContact O-OG1 2.78Å; T389-R393 WeakPolarHBondContact O-CD 3.37Å; T389-R393 VanDerWaalsContact O-CG 3.23Å; T389-R393 WeakPolarHBondContact O-CG 3.23Å; T389-R393 PolarHBondContact O-N 3.12Å; T389-R393 VanDerWaalsContact O-N 3.12Å
390E87Confident88.4Confident99 Ų99105.7 Ų105.746%0.46351%0.506SS..Hα-helixtrans-71.5-44.6173.7-73.3169.3178.800110.9R386 F387 S388 E392 R393 E394R386-E390 WeakPolarHBondContact O-CG 3.47Å; R386-E390 PolarHBondContact O-N 3.05Å; F387-E390 PolarHBondContact O-N 3.01Å; S388-E390 VanDerWaalsContact C-N 3.32Å; S388-E390 PolarHBondContact O-N 3.28Å; E390-E392 VanDerWaalsContact C-N 3.32Å; E390-E392 PolarHBondContact O-N 3.25Å; E390-R393 PolarHBondContact O-N 3.36Å; E390-E394 PolarHBondContact O-N 2.95Å
391L88.9Confident88Confident81 Ų81106 Ų10642%0.42451%0.509SS..Hα-helixtrans-62.7-35.6174.1-177.366000112.7F387 S388 K395F387-L391 WeakPolarHBondContact O-CB 3.33Å; F387-L391 PolarHBondContact O-N 2.95Å; S388-L391 PolarHBondContact O-N 2.97Å; L391-K395 WeakPolarHBondContact O-CB 3.29Å; L391-K395 WeakPolarHBondContact O-CD 3.47Å; L391-K395 VanDerWaalsContact O-CG 3.25Å; L391-K395 WeakPolarHBondContact O-CG 3.31Å; L391-K395 PolarHBondContact O-N 3.46Å
392E86.9Confident87.5Confident113 Ų113106.1 Ų106.153%0.52850%0.503SS..Hα-helixtrans-67.3-40.6173.3-76.2170.5179.100112.3S388 E390 K395 L396S388-E392 WeakPolarHBondContact O-CG 3.45Å; S388-E392 PolarHBondContact O-N 3.43Å; E390-E392 VanDerWaalsContact C-N 3.32Å; E390-E392 PolarHBondContact O-N 3.25Å; E392-K395 PolarHBondContact O-N 2.92Å; E392-L396 PolarHBondContact O-N 3.38Å
393R86.3Confident87.1Confident153 Ų153107.1 Ų107.158%0.57751%0.508SS*.Hα-helixtrans-64.6-42.8173.2-70.9164-173.9163.13.9111.8T389 E390 L396 I397T389-R393 WeakPolarHBondContact O-CD 3.37Å; T389-R393 VanDerWaalsContact O-CG 3.23Å; T389-R393 WeakPolarHBondContact O-CG 3.23Å; T389-R393 PolarHBondContact O-N 3.12Å; T389-R393 VanDerWaalsContact O-N 3.12Å; E390-R393 PolarHBondContact O-N 3.36Å; R393-L396 PolarHBondContact O-N 3.24Å; R393-I397 VanDerWaalsContact O-CG1 3.29Å; R393-I397 WeakPolarHBondContact O-CG1 3.49Å; R393-I397 PolarHBondContact O-N 3.03Å
394E85.6Confident86.6Confident129 Ų129107.3 Ų107.360%0.60351%0.506SS*.Hα-helixtrans-61.2-44.5176.9-171.3-176.2-172.100111.3E390 L396 I397 R398E390-E394 PolarHBondContact O-N 2.95Å; E394-L396 PolarHBondContact O-N 3.04Å; E394-I397 PolarHBondContact O-N 3.45Å; E394-R398 VanDerWaalsContact O-CB 3.31Å; E394-R398 WeakPolarHBondContact O-CB 3.38Å; E394-R398 PolarHBondContact O-N 2.97Å
395K86.6Confident86.3Confident115 Ų115106 Ų10650%0.551%0.506SS..Hα-helixtrans-58.2-44.1173.3-74.8165.8-177.9169.80112.3L391 E392 R398 Q399L391-K395 WeakPolarHBondContact O-CB 3.29Å; L391-K395 WeakPolarHBondContact O-CD 3.47Å; L391-K395 VanDerWaalsContact O-CG 3.25Å; L391-K395 WeakPolarHBondContact O-CG 3.31Å; L391-K395 PolarHBondContact O-N 3.46Å; E392-K395 PolarHBondContact O-N 2.92Å; K395-R398 PolarHBondContact O-N 3.33Å; K395-Q399 WeakPolarHBondContact O-CG 3.46Å; K395-Q399 PolarHBondContact O-N 3.18Å
396L89.8Confident85.9Confident93 Ų93106 Ų10649%0.48751%0.507SS..Hα-helixtrans-66.1-43.9179.1-176.664.7000112.1E392 R393 E394 R398 Q399 Q400E392-L396 PolarHBondContact O-N 3.38Å; R393-L396 PolarHBondContact O-N 3.24Å; E394-L396 PolarHBondContact O-N 3.04Å; L396-R398 VanDerWaalsContact C-N 3.29Å; L396-R398 PolarHBondContact O-N 3.35Å; L396-Q399 PolarHBondContact O-N 2.88Å; L396-Q400 WeakPolarHBondContact O-CG 3.45Å; L396-Q400 PolarHBondContact O-N 3.1Å
397I88.5Confident85.6Confident112 Ų112105.4 Ų105.457%0.57451%0.51SS*.Hα-helixtrans-61.1-41.4174.9-68.9163.7000110.3R393 E394 Q400 M401R393-I397 VanDerWaalsContact O-CG1 3.29Å; R393-I397 WeakPolarHBondContact O-CG1 3.49Å; R393-I397 PolarHBondContact O-N 3.03Å; E394-I397 PolarHBondContact O-N 3.45Å; I397-Q400 PolarHBondContact O-N 3.41Å; I397-M401 WeakPolarHBondContact O-CB 3.25Å; I397-M401 PolarHBondContact O-N 3.28Å
398R85.5Confident85.1Confident163 Ų163105.4 Ų105.462%0.61551%0.509SS*.Hα-helixtrans-63.2-44.1175.9178.7176.2169.4150.77.2112.1E394 K395 L396 M401 E402E394-R398 VanDerWaalsContact O-CB 3.31Å; E394-R398 WeakPolarHBondContact O-CB 3.38Å; E394-R398 PolarHBondContact O-N 2.97Å; K395-R398 PolarHBondContact O-N 3.33Å; L396-R398 VanDerWaalsContact C-N 3.29Å; L396-R398 PolarHBondContact O-N 3.35Å; R398-M401 WeakPolarHBondContact O-CB 3.41Å; R398-M401 PolarHBondContact O-N 3.45Å; R398-E402 HydrophobicContact CG-CG 4.43Å; R398-E402 IonicContact CZ-OE1 2.77Å; R398-E402 VanDerWaalsContact CZ-OE1 3.22Å; R398-E402 IonicContact NE-OE1 2.68Å; R398-E402 PolarHBondContact NE-OE1 2.8Å; R398-E402 IonicContact NH2-OE1 2.78Å; R398-E402 PolarHBondContact NH2-OE1 2.74Å; R398-E402 WeakPolarHBondContact O-CG 3.37Å; R398-E402 PolarHBondContact O-N 3.19Å
399Q86.4Confident84.5Confident112 Ų112105.4 Ų105.452%0.52351%0.509SS..Hα-helixtrans-60.3-45.5175.6-75.6174.7-36.900111.6K395 L396 M401 E402 E403K395-Q399 WeakPolarHBondContact O-CG 3.46Å; K395-Q399 PolarHBondContact O-N 3.18Å; L396-Q399 PolarHBondContact O-N 2.88Å; Q399-M401 VanDerWaalsContact C-N 3.27Å; Q399-M401 PolarHBondContact O-N 2.94Å; Q399-E402 PolarHBondContact O-N 2.91Å; Q399-E403 WeakPolarHBondContact O-CG 3.41Å; Q399-E403 PolarHBondContact O-N 3.31Å
400Q86.4Confident84.1Confident96 Ų96105.3 Ų105.345%0.44951%0.511SS..Hα-helixtrans-61.7-33.8175.2-70.3174.2-8.600112.7L396 I397 Q404L396-Q400 WeakPolarHBondContact O-CG 3.45Å; L396-Q400 PolarHBondContact O-N 3.1Å; I397-Q400 PolarHBondContact O-N 3.41Å; Q400-Q404 WeakPolarHBondContact O-CG 3.33Å; Q400-Q404 PolarHBondContact O-N 3Å; Q400-Q404 VanDerWaalsContact O-N 3.1Å
401M79.6Confident84Confident117 Ų117105.9 Ų105.958%0.57651%0.514SS*.Hα-helixtrans-71.8-41.1174.5-167.866.2143.100112I397 R398 Q399 Q404 V405I397-M401 WeakPolarHBondContact O-CB 3.25Å; I397-M401 PolarHBondContact O-N 3.28Å; R398-M401 WeakPolarHBondContact O-CB 3.41Å; R398-M401 PolarHBondContact O-N 3.45Å; Q399-M401 VanDerWaalsContact C-N 3.27Å; Q399-M401 PolarHBondContact O-N 2.94Å; M401-Q404 PolarHBondContact O-N 3.4Å; M401-V405 WeakPolarHBondContact O-CG2 3.33Å; M401-V405 PolarHBondContact O-N 2.86Å
402E81.6Confident83.6Confident94 Ų94107 Ų10744%0.43952%0.52SS..Hα-helixtrans-64.4-38.3175.5-73.3171.7171.300111.1R398 Q399 V405 A406R398-E402 HydrophobicContact CG-CG 4.43Å; R398-E402 IonicContact CZ-OE1 2.77Å; R398-E402 VanDerWaalsContact CZ-OE1 3.22Å; R398-E402 IonicContact NE-OE1 2.68Å; R398-E402 PolarHBondContact NE-OE1 2.8Å; R398-E402 IonicContact NH2-OE1 2.78Å; R398-E402 PolarHBondContact NH2-OE1 2.74Å; R398-E402 WeakPolarHBondContact O-CG 3.37Å; R398-E402 PolarHBondContact O-N 3.19Å; Q399-E402 PolarHBondContact O-N 2.91Å; E402-V405 PolarHBondContact O-N 3.47Å; E402-A406 WeakPolarHBondContact O-CB 3.38Å; E402-A406 PolarHBondContact O-N 3.43Å
403E82.7Confident83.1Confident122 Ų122107.7 Ų107.757%0.5752%0.523SS*.Hα-helixtrans-62.3-45.8170.4-73.7177.9171.300112.8Q399 V405 A406 Q407Q399-E403 WeakPolarHBondContact O-CG 3.41Å; Q399-E403 PolarHBondContact O-N 3.31Å; E403-V405 VanDerWaalsContact C-N 3.31Å; E403-V405 PolarHBondContact O-N 3.22Å; E403-A406 PolarHBondContact O-N 3.24Å; E403-Q407 WeakPolarHBondContact O-CG 3.44Å; E403-Q407 PolarHBondContact O-N 2.91Å
404Q80.4Confident82.9Confident97 Ų97105.6 Ų105.645%0.45352%0.519SS..Hα-helixtrans-65.4-33.1177-75.9-178.834.600112.9Q400 M401 K408Q400-Q404 WeakPolarHBondContact O-CG 3.33Å; Q400-Q404 PolarHBondContact O-N 3Å; Q400-Q404 VanDerWaalsContact O-N 3.1Å; M401-Q404 PolarHBondContact O-N 3.4Å; Q404-K408 WeakPolarHBondContact O-CG 3.39Å; Q404-K408 PolarHBondContact O-N 3.44Å
405V81.4Confident82.4Confident92 Ų92106.6 Ų106.656%0.55852%0.519SS*.Hα-helixtrans-68.2-44.1172.8169.40000110.3M401 E402 E403 Q407 K408 S409M401-V405 WeakPolarHBondContact O-CG2 3.33Å; M401-V405 PolarHBondContact O-N 2.86Å; E402-V405 PolarHBondContact O-N 3.47Å; E403-V405 VanDerWaalsContact C-N 3.31Å; E403-V405 PolarHBondContact O-N 3.22Å; V405-Q407 VanDerWaalsContact C-N 3.35Å; V405-Q407 PolarHBondContact O-N 3.23Å; V405-K408 PolarHBondContact O-N 3.41Å; V405-S409 PolarHBondContact O-N 2.97Å; V405-S409 PolarHBondContact O-OG 3.2Å
406A82.8Confident82.1Confident54 Ų54105.3 Ų105.345%0.44652%0.517SS..Hα-helixtrans-61.5-39.7177.700000112.9E402 E403 S409 S410E402-A406 WeakPolarHBondContact O-CB 3.38Å; E402-A406 PolarHBondContact O-N 3.43Å; E403-A406 PolarHBondContact O-N 3.24Å; A406-S409 WeakPolarHBondContact CA-OG 3.44Å; A406-S409 PolarHBondContact O-N 2.89Å; A406-S409 PolarHBondContact O-OG 2.95Å; A406-S410 PolarHBondContact O-N 3.05Å; A406-S410 VanDerWaalsContact O-N 3.14Å
407Q81.3Confident81.6Confident124 Ų124106.4 Ų106.458%0.57952%0.519SS*.Hα-helixtrans-59.9-50.5172.8-72.6171.72.900111.1E403 V405 S409 S410 E411E403-Q407 WeakPolarHBondContact O-CG 3.44Å; E403-Q407 PolarHBondContact O-N 2.91Å; V405-Q407 VanDerWaalsContact C-N 3.35Å; V405-Q407 PolarHBondContact O-N 3.23Å; Q407-S409 VanDerWaalsContact C-N 3.34Å; Q407-S409 PolarHBondContact O-N 3.22Å; Q407-S410 PolarHBondContact O-N 3.21Å; Q407-S410 VanDerWaalsContact O-N 3.12Å; Q407-E411 PolarHBondContact O-N 3.09Å
408K81.3Confident81.1Confident132 Ų132108.3 Ų108.357%0.57452%0.519SS*.Hα-helixtrans-65.3-32179.7-73.2173.4-179.7171.50113.7Q404 V405 L412Q404-K408 WeakPolarHBondContact O-CG 3.39Å; Q404-K408 PolarHBondContact O-N 3.44Å; V405-K408 PolarHBondContact O-N 3.41Å; K408-L412 WeakPolarHBondContact O-CB 3.5Å; K408-L412 PolarHBondContact O-N 2.85Å
409S76.8Confident80.8Confident58 Ų58103.9 Ų103.941%0.40651%0.511SS..Hα-helixtrans-67.5-38.5171.747.20000112.2V405 A406 Q407 L412 E413V405-S409 PolarHBondContact O-N 2.97Å; V405-S409 PolarHBondContact O-OG 3.2Å; A406-S409 WeakPolarHBondContact CA-OG 3.44Å; A406-S409 PolarHBondContact O-N 2.89Å; A406-S409 PolarHBondContact O-OG 2.95Å; Q407-S409 VanDerWaalsContact C-N 3.34Å; Q407-S409 PolarHBondContact O-N 3.22Å; S409-L412 WeakPolarHBondContact O-CB 3.45Å; S409-L412 PolarHBondContact O-N 2.95Å; S409-E413 WeakPolarHBondContact O-CG 3.49Å; S409-E413 PolarHBondContact O-N 3.25Å
410S81.3Confident80.3Confident55 Ų55106.6 Ų106.639%0.38552%0.516SS..Hα-helixtrans-68.6-35.9176.7-168.90000112.4A406 Q407 E413 Q414A406-S410 PolarHBondContact O-N 3.05Å; A406-S410 VanDerWaalsContact O-N 3.14Å; Q407-S410 PolarHBondContact O-N 3.21Å; Q407-S410 VanDerWaalsContact O-N 3.12Å; S410-E413 PolarHBondContact O-N 3.46Å; S410-Q414 WeakPolarHBondContact O-CG 3.38Å; S410-Q414 PolarHBondContact O-N 2.59Å
411E83.5Confident80Confident112 Ų112107.1 Ų107.152%0.52352%0.518SS..Hα-helixtrans-60-46.2168.9-69.1177.4169.300111.3Q407 E413 Q414 Y415Q407-E411 PolarHBondContact O-N 3.09Å; E411-E413 PolarHBondContact O-N 3.02Å; E411-Q414 WeakPolarHBondContact O-CB 3.14Å; E411-Q414 PolarHBondContact O-N 3.12Å; E411-Y415 WeakPolarHBondContact O-CD2 3.36Å; E411-Y415 PolarHBondContact O-N 3.14Å; E411-Y415 VanDerWaalsContact O-N 3.09Å
412L80.3Confident79.9Confident104 Ų104106.3 Ų106.355%0.54552%0.516SS..Hα-helixtrans-62.9-39179.5-175.763.2000112.7K408 S409 Q414 Y415 L416K408-L412 WeakPolarHBondContact O-CB 3.5Å; K408-L412 PolarHBondContact O-N 2.85Å; S409-L412 WeakPolarHBondContact O-CB 3.45Å; S409-L412 PolarHBondContact O-N 2.95Å; L412-Q414 VanDerWaalsContact C-N 3.33Å; L412-Q414 PolarHBondContact O-N 3.17Å; L412-Y415 PolarHBondContact O-N 3.44Å; L412-L416 HydrophobicContact CG-CD1 4.31Å; L412-L416 WeakPolarHBondContact O-CG 3.47Å; L412-L416 PolarHBondContact O-N 2.93Å
413E77.8Confident79.7Confident128 Ų128107.1 Ų107.160%0.59852%0.52SS*.Hα-helixtrans-60-41.8173.8-74.1174.4161.100111.9S409 S410 E411 Y415 L416 Q417S409-E413 WeakPolarHBondContact O-CG 3.49Å; S409-E413 PolarHBondContact O-N 3.25Å; S410-E413 PolarHBondContact O-N 3.46Å; E411-E413 PolarHBondContact O-N 3.02Å; E413-Y415 PolarHBondContact O-N 3.27Å; E413-L416 PolarHBondContact O-N 3.07Å; E413-Q417 PolarHBondContact O-N 3.49Å
414Q81.1Confident79.5Confident108 Ų108105.7 Ų105.751%0.50552%0.516SS..Hα-helixtrans-66-35.8175.8-66.417240.600112.5S410 E411 L412 R418S410-Q414 WeakPolarHBondContact O-CG 3.38Å; S410-Q414 PolarHBondContact O-N 2.59Å; E411-Q414 WeakPolarHBondContact O-CB 3.14Å; E411-Q414 PolarHBondContact O-N 3.12Å; L412-Q414 VanDerWaalsContact C-N 3.33Å; L412-Q414 PolarHBondContact O-N 3.17Å; Q414-R418 PolarHBondContact O-N 3.24Å
415Y76Confident79.2Confident151 Ų151106.8 Ų106.859%0.59252%0.522SS*.Hα-helixtrans-65.7-45.2171.7-76.9-70.2000111.8E411 L412 E413 Q417 R418 V419E411-Y415 WeakPolarHBondContact O-CD2 3.36Å; E411-Y415 PolarHBondContact O-N 3.14Å; E411-Y415 VanDerWaalsContact O-N 3.09Å; L412-Y415 PolarHBondContact O-N 3.44Å; E413-Y415 PolarHBondContact O-N 3.27Å; Y415-Q417 VanDerWaalsContact C-N 3.31Å; Y415-Q417 PolarHBondContact O-N 3.27Å; Y415-R418 PolarHBondContact O-N 3.47Å; Y415-V419 WeakPolarHBondContact O-CG2 3.42Å; Y415-V419 PolarHBondContact O-N 3.41Å; Y415-V419 VanDerWaalsContact O-N 3.07Å
416L79.1Confident78.8Confident87 Ų87110.9 Ų110.946%0.45553%0.529SS..Hα-helixtrans-63.3-35.6178.1-71.7170.2000112.4L412 E413 V419 R420L412-L416 HydrophobicContact CG-CD1 4.31Å; L412-L416 WeakPolarHBondContact O-CG 3.47Å; L412-L416 PolarHBondContact O-N 2.93Å; E413-L416 PolarHBondContact O-N 3.07Å; L416-V419 PolarHBondContact O-N 3.24Å; L416-R420 PolarHBondContact O-N 3.42Å; L416-R420 VanDerWaalsContact O-N 3.11Å
417Q79.2Confident78.7Confident116 Ų116113.9 Ų113.954%0.54254%0.537SS..Hα-helixtrans-64.7-43.3175.5-174.3168.7-24.100111.9E413 Y415 V419 R420 E421E413-Q417 PolarHBondContact O-N 3.49Å; Y415-Q417 VanDerWaalsContact C-N 3.31Å; Y415-Q417 PolarHBondContact O-N 3.27Å; Q417-V419 VanDerWaalsContact C-N 3.32Å; Q417-V419 PolarHBondContact O-N 3.11Å; Q417-R420 PolarHBondContact O-N 3.33Å; Q417-E421 PolarHBondContact NE2-OE1 3.17Å; Q417-E421 WeakPolarHBondContact O-CG 3.4Å; Q417-E421 PolarHBondContact O-N 3.29Å
418R77.6Confident78.6Confident152 Ų152113.1 Ų113.157%0.57453%0.532SS*.Hα-helixtrans-62.8-34.7173.5-74.8177173.61490.5113.4Q414 Y415 E421 L422Q414-R418 PolarHBondContact O-N 3.24Å; Y415-R418 PolarHBondContact O-N 3.47Å; R418-E421 PolarHBondContact O-N 3.25Å; R418-L422 WeakPolarHBondContact O-CG 3.41Å; R418-L422 PolarHBondContact O-N 3.49Å
419V79.3Confident78.3Confident71 Ų71113 Ų11343%0.4354%0.537SS..Hα-helixtrans-63.5-46.4174.6172.60000110.1Y415 L416 Q417 E421 L422 E423Y415-V419 WeakPolarHBondContact O-CG2 3.42Å; Y415-V419 PolarHBondContact O-N 3.41Å; Y415-V419 VanDerWaalsContact O-N 3.07Å; L416-V419 PolarHBondContact O-N 3.24Å; Q417-V419 VanDerWaalsContact C-N 3.32Å; Q417-V419 PolarHBondContact O-N 3.11Å; V419-E421 VanDerWaalsContact C-N 3.35Å; V419-E421 PolarHBondContact O-N 3.1Å; V419-L422 WeakPolarHBondContact O-CB 3.4Å; V419-L422 PolarHBondContact O-N 3.41Å; V419-L422 VanDerWaalsContact O-N 3.1Å; V419-E423 HydrophobicContact CG1-CG 4.33Å; V419-E423 WeakPolarHBondContact O-CG 3.46Å; V419-E423 PolarHBondContact O-N 2.93Å
420R75.9Confident78.1Confident169 Ų169115.7 Ų115.764%0.63854%0.543SS*.Hα-helixtrans-59.6-43.3175.5-68.2178-171.1156.65112.3L416 Q417 L422 E423 D424L416-R420 PolarHBondContact O-N 3.42Å; L416-R420 VanDerWaalsContact O-N 3.11Å; Q417-R420 PolarHBondContact O-N 3.33Å; R420-L422 PolarHBondContact O-N 2.94Å; R420-E423 PolarHBondContact O-N 3.09Å; R420-D424 VanDerWaalsContact O-CB 3.29Å; R420-D424 WeakPolarHBondContact O-CB 3.4Å; R420-D424 PolarHBondContact O-N 2.92Å
421E80.8Confident78.1Confident106 Ų106119.4 Ų119.450%0.49555%0.554SS.*Hα-helixtrans-59.5-32.1176.8-71.2165.3-174.300112.7Q417 R418 V419 M425Q417-E421 PolarHBondContact NE2-OE1 3.17Å; Q417-E421 WeakPolarHBondContact O-CG 3.4Å; Q417-E421 PolarHBondContact O-N 3.29Å; R418-E421 PolarHBondContact O-N 3.25Å; V419-E421 VanDerWaalsContact C-N 3.35Å; V419-E421 PolarHBondContact O-N 3.1Å; E421-M425 PolarHBondContact O-N 3.31Å
422L77.1Confident77.7Confident100 Ų100117 Ų11752%0.52455%0.554SS.*Hα-helixtrans-77.4-41.4174.1-68166.7000112.5R418 V419 R420 D424 M425 Y426R418-L422 WeakPolarHBondContact O-CG 3.41Å; R418-L422 PolarHBondContact O-N 3.49Å; V419-L422 WeakPolarHBondContact O-CB 3.4Å; V419-L422 PolarHBondContact O-N 3.41Å; V419-L422 VanDerWaalsContact O-N 3.1Å; R420-L422 PolarHBondContact O-N 2.94Å; L422-D424 VanDerWaalsContact C-N 3.3Å; L422-D424 PolarHBondContact O-N 3.17Å; L422-M425 HydrophobicContact CD2-CE 3.84Å; L422-M425 PolarHBondContact O-N 3.46Å; L422-Y426 PolarHBondContact O-N 3.38Å
423E78.3Confident77.4Confident112 Ų112116.5 Ų116.552%0.52355%0.551SS.*Hα-helixtrans-59.4-42.7173.6-69.2170151.600110.9V419 R420 M425 Y426 L427V419-E423 HydrophobicContact CG1-CG 4.33Å; V419-E423 WeakPolarHBondContact O-CG 3.46Å; V419-E423 PolarHBondContact O-N 2.93Å; R420-E423 PolarHBondContact O-N 3.09Å; E423-M425 VanDerWaalsContact C-N 3.29Å; E423-M425 PolarHBondContact O-N 3.49Å; E423-Y426 WeakPolarHBondContact O-CB 3.47Å; E423-Y426 PolarHBondContact O-N 3.35Å; E423-Y426 VanDerWaalsContact O-N 3.14Å; E423-L427 PolarHBondContact O-N 3.27Å
424D79.3Confident77.3Confident91 Ų91114.2 Ų114.249%0.48754%0.54SS..Hα-helixtrans-68.8-25.2179.7-142.861.8000112.5R420 L422 K428R420-D424 VanDerWaalsContact O-CB 3.29Å; R420-D424 WeakPolarHBondContact O-CB 3.4Å; R420-D424 PolarHBondContact O-N 2.92Å; L422-D424 VanDerWaalsContact C-N 3.3Å; L422-D424 PolarHBondContact O-N 3.17Å; D424-K428 VanDerWaalsContact CG-NZ 3.33Å; D424-K428 WeakPolarHBondContact O-CG 3.29Å; D424-K428 PolarHBondContact O-NZ 3.03Å; D424-K428 IonicContact OD2-NZ 3.34Å; D424-K428 PolarHBondContact OD2-NZ 2.85Å
425M72.3Confident77.1Confident120 Ų120114.5 Ų114.559%0.59155%0.545SS*.Hα-helixtrans-77.5-40.6167.8-77.6-158.8-61.900112.4E421 L422 E423 L427 K428 L429E421-M425 PolarHBondContact O-N 3.31Å; L422-M425 HydrophobicContact CD2-CE 3.84Å; L422-M425 PolarHBondContact O-N 3.46Å; E423-M425 VanDerWaalsContact C-N 3.29Å; E423-M425 PolarHBondContact O-N 3.49Å; M425-L427 VanDerWaalsContact C-N 3.3Å; M425-L427 PolarHBondContact O-N 3.01Å; M425-K428 PolarHBondContact O-N 3.14Å; M425-L429 PolarHBondContact O-N 3.26Å
426Y74.1Confident76.9Confident178 Ų178111.8 Ų111.870%0.69854%0.538SS*.Hα-helixtrans-59.7-41.6176.4-103.3-81.8000111.8L422 E423 L429 Q430L422-Y426 PolarHBondContact O-N 3.38Å; E423-Y426 WeakPolarHBondContact O-CB 3.47Å; E423-Y426 PolarHBondContact O-N 3.35Å; E423-Y426 VanDerWaalsContact O-N 3.14Å; Y426-L429 PolarHBondContact O-N 3.2Å; Y426-Q430 PolarHBondContact O-N 3.48Å
427L80.8Confident76.7Confident117 Ų117114.7 Ų114.761%0.61354%0.543SS*.Hα-helixtrans-59.4-47.8176.4-116144.3000112.3E423 M425 L429 Q430 E431E423-L427 PolarHBondContact O-N 3.27Å; M425-L427 VanDerWaalsContact C-N 3.3Å; M425-L427 PolarHBondContact O-N 3.01Å; L427-L429 VanDerWaalsContact C-N 3.32Å; L427-L429 PolarHBondContact O-N 2.99Å; L427-Q430 PolarHBondContact O-N 3.28Å; L427-Q430 VanDerWaalsContact O-N 3.17Å; L427-E431 PolarHBondContact O-N 2.95Å
428K78.1Confident76.4Confident109 Ų109113.8 Ų113.847%0.47454%0.539SS..Hα-helixtrans-66.4-32177.4-65.7178.9-166.575.70112.8D424 M425 Q430 A432D424-K428 VanDerWaalsContact CG-NZ 3.33Å; D424-K428 WeakPolarHBondContact O-CG 3.29Å; D424-K428 PolarHBondContact O-NZ 3.03Å; D424-K428 IonicContact OD2-NZ 3.34Å; D424-K428 PolarHBondContact OD2-NZ 2.85Å; M425-K428 PolarHBondContact O-N 3.14Å; K428-Q430 VanDerWaalsContact C-N 3.34Å; K428-A432 PolarHBondContact O-N 3.2Å
429L74.9Confident76.1Confident128 Ų128109.5 Ų109.567%0.6754%0.536SS*.Hα-helixtrans-69.6-34174.2-159.781.8000111.8M425 Y426 L427 L433M425-L429 PolarHBondContact O-N 3.26Å; Y426-L429 PolarHBondContact O-N 3.2Å; L427-L429 VanDerWaalsContact C-N 3.32Å; L427-L429 PolarHBondContact O-N 2.99Å; L429-L433 PolarHBondContact O-N 3.5Å
430Q74.4Confident75.6Confident115 Ų115113.7 Ų113.754%0.53754%0.544SS..Hα-helixtrans-73.9-42.7176.7-161.9-166.7-50.200111.7Y426 L427 K428 A432 L433 E434Y426-Q430 PolarHBondContact O-N 3.48Å; L427-Q430 PolarHBondContact O-N 3.28Å; L427-Q430 VanDerWaalsContact O-N 3.17Å; K428-Q430 VanDerWaalsContact C-N 3.34Å; Q430-A432 VanDerWaalsContact C-N 3.33Å; Q430-A432 PolarHBondContact O-N 3.11Å; Q430-L433 WeakPolarHBondContact O-CA 3.43Å; Q430-L433 WeakPolarHBondContact O-CB 3.45Å; Q430-L433 PolarHBondContact O-N 3.35Å; Q430-E434 PolarHBondContact NE2-OE2 3.48Å; Q430-E434 PolarHBondContact O-N 2.96Å
431E80.1Confident75.3Confident133 Ų133110.9 Ų110.962%0.62154%0.538SS*.Hα-helixtrans-55.5-46.8176-169.3169.5-141.800111.3L427 L433 E434 D435L427-E431 PolarHBondContact O-N 2.95Å; E431-L433 VanDerWaalsContact C-N 3.27Å; E431-L433 PolarHBondContact O-N 3.46Å; E431-E434 PolarHBondContact O-N 3.43Å; E431-D435 PolarHBondContact O-N 2.9Å
432A75.5Confident74.9Confident63 Ų63109.8 Ų109.852%0.52154%0.535SS..Hα-helixtrans-65-24.1174.800000114.6K428 Q430 E436K428-A432 PolarHBondContact O-N 3.2Å; Q430-A432 VanDerWaalsContact C-N 3.33Å; Q430-A432 PolarHBondContact O-N 3.11Å; A432-E436 PolarHBondContact O-N 3.29Å
433L74.8Confident74.5Confident92 Ų92109.8 Ų109.848%0.48253%0.533SS..Hα-helixtrans-80.3-36.5174.7-170.775.4000111.4L429 Q430 E431 E436 R437L429-L433 PolarHBondContact O-N 3.5Å; Q430-L433 WeakPolarHBondContact O-CA 3.43Å; Q430-L433 WeakPolarHBondContact O-CB 3.45Å; Q430-L433 PolarHBondContact O-N 3.35Å; E431-L433 VanDerWaalsContact C-N 3.27Å; E431-L433 PolarHBondContact O-N 3.46Å; L433-E436 PolarHBondContact O-N 3.01Å; L433-R437 WeakPolarHBondContact O-CD 3.24Å; L433-R437 VanDerWaalsContact O-CG 3.24Å; L433-R437 WeakPolarHBondContact O-CG 3.43Å; L433-R437 PolarHBondContact O-N 3.33Å
434E75.4Confident74.2Confident80 Ų80109.2 Ų109.237%0.37453%0.53SS..Hα-helixtrans-62.8-41.8172.3-110.270.9-97.600110.7Q430 E431 R437 Q438Q430-E434 PolarHBondContact NE2-OE2 3.48Å; Q430-E434 PolarHBondContact O-N 2.96Å; E431-E434 PolarHBondContact O-N 3.43Å; E434-R437 WeakPolarHBondContact O-CB 3.35Å; E434-R437 PolarHBondContact O-N 2.98Å; E434-R437 IonicContact OE1-NH1 3.34Å; E434-R437 PolarHBondContact OE1-NH1 3.28Å; E434-Q438 PolarHBondContact O-N 2.68Å
435D76.8Confident73.9Confident114 Ų114108.4 Ų108.461%0.6153%0.529SS*.Hα-helixtrans-59.9-43.9174.5-85.2-16000113.3E431 R437 Q438 A439E431-D435 PolarHBondContact O-N 2.9Å; D435-R437 VanDerWaalsContact C-N 3.25Å; D435-R437 PolarHBondContact O-N 3.39Å; D435-Q438 PolarHBondContact O-N 2.93Å; D435-A439 PolarHBondContact O-N 2.96Å
436E72Confident73.8Confident94 Ų94107.1 Ų107.144%0.43953%0.527SS..Hα-helixtrans-62.2-35.7177-158.4-144.4133.900111.5A432 L433 R440A432-E436 PolarHBondContact O-N 3.29Å; L433-E436 PolarHBondContact O-N 3.01Å; E436-R440 WeakPolarHBondContact O-CG 3.4Å; E436-R440 PolarHBondContact O-N 3.43Å; E436-R440 IonicContact OE1-CZ 2.75Å; E436-R440 IonicContact OE1-NE 2.69Å; E436-R440 PolarHBondContact OE1-NE 3.42Å; E436-R440 IonicContact OE1-NH2 2.67Å; E436-R440 PolarHBondContact OE1-NH2 3.2Å
437R74Confident73.5Confident148 Ų148105.9 Ų105.956%0.55852%0.522SS*.Hα-helixtrans-70.5-42179.5-65.9167.190.8-168.47.6111.3L433 E434 D435 R440 Q441L433-R437 WeakPolarHBondContact O-CD 3.24Å; L433-R437 VanDerWaalsContact O-CG 3.24Å; L433-R437 WeakPolarHBondContact O-CG 3.43Å; L433-R437 PolarHBondContact O-N 3.33Å; E434-R437 WeakPolarHBondContact O-CB 3.35Å; E434-R437 PolarHBondContact O-N 2.98Å; E434-R437 IonicContact OE1-NH1 3.34Å; E434-R437 PolarHBondContact OE1-NH1 3.28Å; D435-R437 VanDerWaalsContact C-N 3.25Å; D435-R437 PolarHBondContact O-N 3.39Å; R437-R440 PolarHBondContact O-N 3.29Å; R437-Q441 WeakPolarHBondContact O-CG 3.47Å; R437-Q441 PolarHBondContact O-N 3.4Å; R437-Q441 VanDerWaalsContact O-N 3.14Å
438Q72.7Confident73Confident97 Ų97106.2 Ų106.245%0.45352%0.518SS..Hα-helixtrans-61.9-47.3175.7-173.559.853.900111E434 D435 R440 Q441 D442E434-Q438 PolarHBondContact O-N 2.68Å; D435-Q438 PolarHBondContact O-N 2.93Å; Q438-R440 VanDerWaalsContact C-N 3.31Å; Q438-R440 PolarHBondContact O-N 2.74Å; Q438-Q441 PolarHBondContact O-N 3.34Å; Q438-D442 PolarHBondContact NE2-OD1 3.21Å; Q438-D442 PolarHBondContact O-N 3.01Å
439A71.1Confident72.7Confident62 Ų62106.3 Ų106.351%0.51252%0.523SS..Hα-helixtrans-58.7-38.4178.900000113.4D435 E443D435-A439 PolarHBondContact O-N 2.96Å; A439-E443 PolarHBondContact O-N 3.17Å
440R69.3Low72.1Confident159 Ų159106.2 Ų106.260%0.652%0.519SS*.Hα-helixtrans-68.1-36.9173.9-72.6-173.7-170.6-143.18.8113.1E436 R437 Q438 D442 E443 E444E436-R440 WeakPolarHBondContact O-CG 3.4Å; E436-R440 PolarHBondContact O-N 3.43Å; E436-R440 IonicContact OE1-CZ 2.75Å; E436-R440 IonicContact OE1-NE 2.69Å; E436-R440 PolarHBondContact OE1-NE 3.42Å; E436-R440 IonicContact OE1-NH2 2.67Å; E436-R440 PolarHBondContact OE1-NH2 3.2Å; R437-R440 PolarHBondContact O-N 3.29Å; Q438-R440 VanDerWaalsContact C-N 3.31Å; Q438-R440 PolarHBondContact O-N 2.74Å; R440-D442 VanDerWaalsContact C-N 3.33Å; R440-E443 PolarHBondContact O-N 2.61Å; R440-E444 PolarHBondContact O-N 3.14Å
441Q70Confident71.8Confident110 Ų110103.4 Ų103.451%0.51452%0.516SS..Hα-helixtrans-68.5-36.8178.8-73.4173.9-29.600110.9R437 Q438 E444 T445R437-Q441 WeakPolarHBondContact O-CG 3.47Å; R437-Q441 PolarHBondContact O-N 3.4Å; R437-Q441 VanDerWaalsContact O-N 3.14Å; Q438-Q441 PolarHBondContact O-N 3.34Å; Q441-E444 PolarHBondContact O-N 3.04Å; Q441-T445 WeakPolarHBondContact O-CG2 3.39Å; Q441-T445 PolarHBondContact O-N 2.67Å
442D71.9Confident71.5Confident83 Ų83105.2 Ų105.244%0.44452%0.517SS..Hα-helixtrans-65-41.3173.6-63.7-21.5000111.5Q438 R440 E444 T445 V446Q438-D442 PolarHBondContact NE2-OD1 3.21Å; Q438-D442 PolarHBondContact O-N 3.01Å; R440-D442 VanDerWaalsContact C-N 3.33Å; D442-E444 VanDerWaalsContact C-N 3.32Å; D442-E444 PolarHBondContact O-N 2.61Å; D442-T445 PolarHBondContact O-N 3.04Å; D442-T445 PolarHBondContact O-OG1 3.39Å; D442-V446 WeakPolarHBondContact O-CG2 3.48Å; D442-V446 PolarHBondContact O-N 3.05Å
443E69.3Low71.1Confident101 Ų101107.8 Ų107.847%0.47252%0.521SS..Hα-helixtrans-58.7-41.1170.9-166.1-165.2156.600112.2A439 R440 V446 R447A439-E443 PolarHBondContact O-N 3.17Å; R440-E443 PolarHBondContact O-N 2.61Å; E443-V446 PolarHBondContact O-N 3.29Å; E443-R447 PolarHBondContact O-N 3.04Å; E443-R447 IonicContact OE1-CZ 3.19Å; E443-R447 IonicContact OE1-NH1 3.73Å; E443-R447 PolarHBondContact OE1-NH1 3.15Å; E443-R447 IonicContact OE1-NH2 2.85Å; E443-R447 PolarHBondContact OE1-NH2 3.49Å
444E71.6Confident70.8Confident99 Ų99108.8 Ų108.846%0.46353%0.527SS..Hα-helixtrans-68.9-35.4-179.4-154-167.414400112.6R440 Q441 D442 R447 K448R440-E444 PolarHBondContact O-N 3.14Å; Q441-E444 PolarHBondContact O-N 3.04Å; D442-E444 VanDerWaalsContact C-N 3.32Å; D442-E444 PolarHBondContact O-N 2.61Å; E444-R447 PolarHBondContact O-N 2.82Å; E444-K448 WeakPolarHBondContact O-CG 3.49Å; E444-K448 PolarHBondContact O-N 3.41Å; E444-K448 VanDerWaalsContact O-N 3.15Å; E444-K448 WeakPolarHBondContact OE1-CE 3.09Å; E444-K448 IonicContact OE1-NZ 3.72Å; E444-K448 PolarHBondContact OE1-NZ 3.06Å
445T72.1Confident70.6Confident74 Ų74111.3 Ų111.345%0.45454%0.538SS..Hα-helixtrans-67.3-39.2174.963.90000112.4Q441 D442 R447 K448 L449Q441-T445 WeakPolarHBondContact O-CG2 3.39Å; Q441-T445 PolarHBondContact O-N 2.67Å; D442-T445 PolarHBondContact O-N 3.04Å; D442-T445 PolarHBondContact O-OG1 3.39Å; T445-R447 PolarHBondContact O-N 3.34Å; T445-K448 PolarHBondContact O-N 3.39Å; T445-L449 PolarHBondContact O-N 2.99Å
446V71.2Confident70.4Confident93 Ų93110.4 Ų110.456%0.56453%0.53SS*.Hα-helixtrans-62.4-43.4175.9174.10000111.1D442 E443 K448 L449 Q450D442-V446 WeakPolarHBondContact O-CG2 3.48Å; D442-V446 PolarHBondContact O-N 3.05Å; E443-V446 PolarHBondContact O-N 3.29Å; V446-K448 VanDerWaalsContact C-N 3.34Å; V446-K448 PolarHBondContact O-N 3.21Å; V446-L449 PolarHBondContact O-N 3.22Å; V446-Q450 PolarHBondContact O-N 3.18Å
447R68.3Low70.3Confident153 Ų153111 Ų11158%0.57753%0.533SS*.Hα-helixtrans-59.5-41.5173.3-78.5-160.5-179.889.512.8112.8E443 E444 T445 Q450 A451E443-R447 PolarHBondContact O-N 3.04Å; E443-R447 IonicContact OE1-CZ 3.19Å; E443-R447 IonicContact OE1-NH1 3.73Å; E443-R447 PolarHBondContact OE1-NH1 3.15Å; E443-R447 IonicContact OE1-NH2 2.85Å; E443-R447 PolarHBondContact OE1-NH2 3.49Å; E444-R447 PolarHBondContact O-N 2.82Å; T445-R447 PolarHBondContact O-N 3.34Å; R447-Q450 PolarHBondContact O-N 3.33Å; R447-A451 PolarHBondContact O-N 3Å
448K70.2Confident70.1Confident123 Ų123107 Ų10754%0.53553%0.528SS..Hα-helixtrans-65.8-36.9179.5-73168.3-175.5167.90112.5E444 T445 V446 R452E444-K448 WeakPolarHBondContact O-CG 3.49Å; E444-K448 PolarHBondContact O-N 3.41Å; E444-K448 VanDerWaalsContact O-N 3.15Å; E444-K448 WeakPolarHBondContact OE1-CE 3.09Å; E444-K448 IonicContact OE1-NZ 3.72Å; E444-K448 PolarHBondContact OE1-NZ 3.06Å; T445-K448 PolarHBondContact O-N 3.39Å; V446-K448 VanDerWaalsContact C-N 3.34Å; V446-K448 PolarHBondContact O-N 3.21Å; K448-R452 PolarHBondContact O-N 3.2Å
449L70.3Confident70.1Confident111 Ų111105.3 Ų105.358%0.58153%0.527SS*.Hα-helixtrans-67-41.5173.4-71.2169.1000111.9T445 V446 R452 L453T445-L449 PolarHBondContact O-N 2.99Å; V446-L449 PolarHBondContact O-N 3.22Å; L449-R452 PolarHBondContact O-N 3.31Å; L449-L453 PolarHBondContact O-N 2.98Å
450Q63.9Low70Confident127 Ų127108 Ų10859%0.59353%0.527SS*.Hα-helixtrans-65.9-38.4178.1-167.8175.114.500112.6V446 R447 L454V446-Q450 PolarHBondContact O-N 3.18Å; R447-Q450 PolarHBondContact O-N 3.33Å; Q450-L454 PolarHBondContact O-N 2.71Å
451A68.3Low69.9Low56 Ų56107.5 Ų107.546%0.46353%0.525SS..Hα-helixtrans-62.5-42.7175.200000112.3R447 L453 L454 E455R447-A451 PolarHBondContact O-N 3Å; A451-L453 PolarHBondContact O-N 3.5Å; A451-L454 PolarHBondContact O-N 3.42Å; A451-E455 PolarHBondContact O-N 3.43Å
452R73.6Confident70Confident170 Ų170104.9 Ų104.964%0.64252%0.523SS*.Hα-helixtrans-63.1-39.5-177.8-156.2-178.7-145.5168.75.9113.1K448 L449 E455 E456K448-R452 PolarHBondContact O-N 3.2Å; L449-R452 PolarHBondContact O-N 3.31Å; R452-E455 PolarHBondContact O-N 3.23Å; R452-E456 PolarHBondContact O-N 2.77Å
453L67.3Low70Confident117 Ų117107.4 Ų107.461%0.61353%0.532SS*.Hα-helixtrans-65.7-37.5175.9-76.3165000112.4L449 A451 E457L449-L453 PolarHBondContact O-N 2.98Å; A451-L453 PolarHBondContact O-N 3.5Å; L453-E457 PolarHBondContact O-N 3.18Å
454L68.6Low69.7Low114 Ų114108.7 Ų108.760%0.59754%0.541SS*.Hα-helixtrans-68.5-36.8174.4-76163.6000111.9Q450 A451 E457 S458Q450-L454 PolarHBondContact O-N 2.71Å; A451-L454 PolarHBondContact O-N 3.42Å; L454-E457 PolarHBondContact O-N 3.05Å; L454-S458 WeakPolarHBondContact O-CB 3.49Å; L454-S458 PolarHBondContact O-N 3.33Å
455E70.1Confident69.4Low132 Ų132110.7 Ų110.762%0.61755%0.55SS**Hα-helixtrans-65.4-43176.3-164.8167.2-140.600111.4A451 R452 S458 S459A451-E455 PolarHBondContact O-N 3.43Å; R452-E455 PolarHBondContact O-N 3.23Å; E455-S458 PolarHBondContact O-N 2.88Å; E455-S458 PolarHBondContact O-OG 3.32Å; E455-S459 PolarHBondContact O-N 2.98Å; E455-S459 PolarHBondContact O-OG 3.38Å
456E73.5Confident69.5Low95 Ų95113.4 Ų113.444%0.44456%0.556SS.*Hα-helixtrans-64.5-37172.9-77.1-170.5-146.400113.8R452 K460R452-E456 PolarHBondContact O-N 2.77Å; E456-K460 WeakPolarHBondContact O-CD 3.45Å; E456-K460 WeakPolarHBondContact O-CG 3.38Å; E456-K460 PolarHBondContact O-N 3.38Å; E456-K460 IonicContact OE2-NZ 3.42Å; E456-K460 PolarHBondContact OE2-NZ 3.28Å
457E70Confident69.3Low107 Ų107117.8 Ų117.850%0.556%0.562SS.*Hα-helixtrans-68.2-37.9172.9-94.2-155.1-149.100112.5L453 L454 R461L453-E457 PolarHBondContact O-N 3.18Å; L454-E457 PolarHBondContact O-N 3.05Å; E457-R461 PolarHBondContact O-N 3.2Å; E457-R461 IonicContact OE2-CZ 2.73Å; E457-R461 IonicContact OE2-NH1 2.77Å; E457-R461 PolarHBondContact OE2-NH1 3.34Å; E457-R461 IonicContact OE2-NH2 3.21Å; E457-R461 PolarHBondContact OE2-NH2 3.18Å
458S68.6Low69.4Low65 Ų65115.5 Ų115.546%0.45556%0.558SS.*Hα-helixtrans-67.3-40.117973.50000111.7L454 E455 R461 A462L454-S458 WeakPolarHBondContact O-CB 3.49Å; L454-S458 PolarHBondContact O-N 3.33Å; E455-S458 PolarHBondContact O-N 2.88Å; E455-S458 PolarHBondContact O-OG 3.32Å; S458-R461 PolarHBondContact O-N 3.4Å; S458-A462 PolarHBondContact O-N 3.11Å
459S72.9Confident69.4Low61 Ų61114.1 Ų114.143%0.42756%0.556SS.*Hα-helixtrans-61.6-47.2178.2-56.20000111.5E455 R461 A462 E463E455-S459 PolarHBondContact O-N 2.98Å; E455-S459 PolarHBondContact O-OG 3.38Å; S459-R461 VanDerWaalsContact C-N 3.29Å; S459-R461 PolarHBondContact O-N 2.92Å; S459-A462 PolarHBondContact O-N 3.38Å; S459-E463 PolarHBondContact O-N 3.42Å; S459-E463 VanDerWaalsContact O-N 3.11Å
460K69.2Low69.3Low118 Ų118113.2 Ų113.251%0.51355%0.549SS..Hα-helixtrans-66-26.2178.3-68.6163.6-172.1151.50113.3E456 L464E456-K460 WeakPolarHBondContact O-CD 3.45Å; E456-K460 WeakPolarHBondContact O-CG 3.38Å; E456-K460 PolarHBondContact O-N 3.38Å; E456-K460 IonicContact OE2-NZ 3.42Å; E456-K460 PolarHBondContact OE2-NZ 3.28Å; K460-L464 WeakPolarHBondContact O-CD1 3.41Å; K460-L464 WeakPolarHBondContact O-CG 3.44Å
461R67.4Low69.2Low148 Ų148113 Ų11356%0.55855%0.548SS*.Hα-helixtrans-73.3-45.5169.8-75.8-174.7175.288.2-2111.8E457 S458 S459 E463 L464 E465E457-R461 PolarHBondContact O-N 3.2Å; E457-R461 IonicContact OE2-CZ 2.73Å; E457-R461 IonicContact OE2-NH1 2.77Å; E457-R461 PolarHBondContact OE2-NH1 3.34Å; E457-R461 IonicContact OE2-NH2 3.21Å; E457-R461 PolarHBondContact OE2-NH2 3.18Å; S458-R461 PolarHBondContact O-N 3.4Å; S459-R461 VanDerWaalsContact C-N 3.29Å; S459-R461 PolarHBondContact O-N 2.92Å; R461-E463 VanDerWaalsContact C-N 3.32Å; R461-E463 PolarHBondContact O-N 3.04Å; R461-L464 PolarHBondContact O-N 3.04Å; R461-L464 VanDerWaalsContact O-N 3.13Å; R461-E465 PolarHBondContact O-N 2.86Å
462A70.7Confident68.8Low56 Ų56114.7 Ų114.746%0.46355%0.546SS..Hα-helixtrans-61.4-36.9-179.600000113S458 S459 K466S458-A462 PolarHBondContact O-N 3.11Å; S459-A462 PolarHBondContact O-N 3.38Å; A462-K466 WeakPolarHBondContact O-CB 3.38Å; A462-K466 PolarHBondContact O-N 3.02Å
463E71.9Confident68.5Low136 Ų136111.7 Ų111.764%0.63654%0.539SS*.Hα-helixtrans-63.7-38.6174.6-70.3179.9157.800112.8S459 R461 W467S459-E463 PolarHBondContact O-N 3.42Å; S459-E463 VanDerWaalsContact O-N 3.11Å; R461-E463 VanDerWaalsContact C-N 3.32Å; R461-E463 PolarHBondContact O-N 3.04Å; E463-W467 PolarHBondContact O-N 3.06Å
464L63.6Low68.5Low128 Ų128108.7 Ų108.767%0.6753%0.531SS*.Hα-helixtrans-72.9-41177.6-70.3169.5000112.3K460 R461 K466 W467 H468K460-L464 WeakPolarHBondContact O-CD1 3.41Å; K460-L464 WeakPolarHBondContact O-CG 3.44Å; R461-L464 PolarHBondContact O-N 3.04Å; R461-L464 VanDerWaalsContact O-N 3.13Å; L464-K466 VanDerWaalsContact C-N 3.31Å; L464-K466 PolarHBondContact O-N 2.68Å; L464-W467 PolarHBondContact O-N 3.37Å; L464-H468 PolarHBondContact O-N 2.96Å
465E66.1Low68.4Low141 Ų141107.5 Ų107.566%0.65953%0.525SS*.Hα-helixtrans-63.1-37.8175.1-72-177.2159.300111.8R461 H468 L469R461-E465 PolarHBondContact O-N 2.86Å; E465-H468 PolarHBondContact O-N 3.02Å; E465-L469 WeakPolarHBondContact O-CB 3.37Å; E465-L469 PolarHBondContact O-N 3.28Å
466K73.2Confident68.1Low131 Ų131107.5 Ų107.557%0.5752%0.524SS*.Hα-helixtrans-62.6-45.7175-170.9170.8-177.3-78.60112.2A462 L464 H468 L469 E470A462-K466 WeakPolarHBondContact O-CB 3.38Å; A462-K466 PolarHBondContact O-N 3.02Å; L464-K466 VanDerWaalsContact C-N 3.31Å; L464-K466 PolarHBondContact O-N 2.68Å; K466-H468 VanDerWaalsContact C-N 3.34Å; K466-H468 PolarHBondContact O-N 2.97Å; K466-L469 PolarHBondContact O-N 3.03Å; K466-E470 WeakPolarHBondContact CE-OE1 3.45Å; K466-E470 IonicContact NZ-OE1 3.96Å; K466-E470 PolarHBondContact NZ-OE1 3.36Å; K466-E470 WeakPolarHBondContact O-CG 3.45Å; K466-E470 PolarHBondContact O-N 3.13Å
467W68.1Low67.7Low184 Ų184107 Ų10770%0.69753%0.528SS*.Hα-helixtrans-60.5-41.8175.6-115.698.7000112.6E463 L464 Q471E463-W467 PolarHBondContact O-N 3.06Å; L464-W467 PolarHBondContact O-N 3.37Å; W467-Q471 WeakPolarHBondContact O-CB 3.37Å; W467-Q471 PolarHBondContact O-N 3.24Å; W467-Q471 VanDerWaalsContact O-N 3.1Å
468H69.9Low67.4Low106 Ų106105.9 Ų105.949%0.49153%0.529SS..Hα-helixtrans-64.6-40.3176.4179.6-92.5000112.2L464 E465 K466 Q471 Q472L464-H468 PolarHBondContact O-N 2.96Å; E465-H468 PolarHBondContact O-N 3.02Å; K466-H468 VanDerWaalsContact C-N 3.34Å; K466-H468 PolarHBondContact O-N 2.97Å; H468-Q471 PolarHBondContact O-N 3.26Å; H468-Q472 PolarHBondContact CE1-NE2 3.33Å; H468-Q472 VanDerWaalsContact CE1-NE2 3.29Å; H468-Q472 WeakPolarHBondContact O-CG 3.44Å; H468-Q472 PolarHBondContact O-N 3.23Å
469L69.8Low67Low93 Ų93108.6 Ų108.649%0.48753%0.534SS..Hα-helixtrans-67.5-43178.8-170.468.3000112.2E465 K466 Q471 Q472 Q473E465-L469 WeakPolarHBondContact O-CB 3.37Å; E465-L469 PolarHBondContact O-N 3.28Å; K466-L469 PolarHBondContact O-N 3.03Å; L469-Q471 VanDerWaalsContact C-N 3.29Å; L469-Q471 PolarHBondContact O-N 3.35Å; L469-Q472 PolarHBondContact O-N 3.32Å; L469-Q473 WeakPolarHBondContact O-CG 3.47Å; L469-Q473 PolarHBondContact O-N 3.14Å
470E69.6Low66.7Low92 Ų92108.4 Ų108.443%0.4354%0.536SS..Hα-helixtrans-61-38.5174.7-71.7172.5-169.100111.3K466 A474K466-E470 WeakPolarHBondContact CE-OE1 3.45Å; K466-E470 IonicContact NZ-OE1 3.96Å; K466-E470 PolarHBondContact NZ-OE1 3.36Å; K466-E470 WeakPolarHBondContact O-CG 3.45Å; K466-E470 PolarHBondContact O-N 3.13Å; E470-A474 PolarHBondContact O-N 3.26Å
471Q60.1Low66.4Low122 Ų122109.2 Ų109.257%0.5754%0.542SS*.Hα-helixtrans-68.5-37.7175.8-166.4173.32600112.9W467 H468 L469W467-Q471 WeakPolarHBondContact O-CB 3.37Å; W467-Q471 PolarHBondContact O-N 3.24Å; W467-Q471 VanDerWaalsContact O-N 3.1Å; H468-Q471 PolarHBondContact O-N 3.26Å; L469-Q471 VanDerWaalsContact C-N 3.29Å; L469-Q471 PolarHBondContact O-N 3.35Å
472Q61.6Low66.1Low93 Ų93108.8 Ų108.844%0.43554%0.544SS..Hα-helixtrans-68.7-37.5176.1-75.7-171-34.800112.8H468 L469 A474 I475 Q476H468-Q472 PolarHBondContact CE1-NE2 3.33Å; H468-Q472 VanDerWaalsContact CE1-NE2 3.29Å; H468-Q472 WeakPolarHBondContact O-CG 3.44Å; H468-Q472 PolarHBondContact O-N 3.23Å; L469-Q472 PolarHBondContact O-N 3.32Å; Q472-A474 PolarHBondContact O-N 3.39Å; Q472-I475 PolarHBondContact O-N 3.18Å; Q472-Q476 PolarHBondContact O-N 3.37Å; Q472-Q476 VanDerWaalsContact O-N 3.17Å
473Q65.8Low65.6Low107 Ų107112.5 Ų112.550%0.555%0.552SS.*Hα-helixtrans-64.3-39.4179.5-73.11752.500112.2L469 I475 Q476 T477L469-Q473 WeakPolarHBondContact O-CG 3.47Å; L469-Q473 PolarHBondContact O-N 3.14Å; Q473-I475 VanDerWaalsContact C-N 3.28Å; Q473-I475 PolarHBondContact O-N 3.42Å; Q473-Q476 PolarHBondContact O-N 3.05Å; Q473-T477 PolarHBondContact O-N 3.25Å; Q473-T477 PolarHBondContact O-OG1 3.03Å
474A67.6Low65.2Low53 Ų53111.6 Ų111.644%0.43855%0.548SS..Hα-helixtrans-63.6-30.7176.300000113.8E470 Q472 T477 T478E470-A474 PolarHBondContact O-N 3.26Å; Q472-A474 PolarHBondContact O-N 3.39Å; A474-T477 WeakPolarHBondContact CA-OG1 3.42Å; A474-T477 PolarHBondContact O-OG1 3.36Å; A474-T478 PolarHBondContact O-N 3.26Å; A474-T478 PolarHBondContact O-OG1 3.2Å
475I65.7Low65.1Low90 Ų90111 Ų11146%0.46255%0.545SS..Hα-helixtrans-71.9-46.4174.7-64168.5000109.8Q472 Q473 T477 T478 E479Q472-I475 PolarHBondContact O-N 3.18Å; Q473-I475 VanDerWaalsContact C-N 3.28Å; Q473-I475 PolarHBondContact O-N 3.42Å; I475-T477 VanDerWaalsContact C-N 3.35Å; I475-T477 PolarHBondContact O-N 3.17Å; I475-T478 PolarHBondContact O-N 3.13Å; I475-T478 PolarHBondContact O-OG1 3.46Å; I475-T478 VanDerWaalsContact O-OG1 3.04Å; I475-E479 PolarHBondContact O-N 3.08Å
476Q65Low64.8Low131 Ų131108.8 Ų108.861%0.61253%0.534SS*.Hα-helixtrans-62.3-38.5179.4-69.9-178.6-5.700112.9Q472 Q473 T478 A480Q472-Q476 PolarHBondContact O-N 3.37Å; Q472-Q476 VanDerWaalsContact O-N 3.17Å; Q473-Q476 PolarHBondContact O-N 3.05Å; Q476-T478 PolarHBondContact O-N 3.5Å; Q476-A480 WeakPolarHBondContact O-CB 3.42Å; Q476-A480 PolarHBondContact O-N 3.26Å; Q476-A480 VanDerWaalsContact O-N 3.08Å
477T65.3Low64.5Low84 Ų84107.1 Ų107.152%0.51553%0.532SS..Hα-helixtrans-64.8-38.4175.848.10000112.7Q473 A474 I475 A480 E481Q473-T477 PolarHBondContact O-N 3.25Å; Q473-T477 PolarHBondContact O-OG1 3.03Å; A474-T477 WeakPolarHBondContact CA-OG1 3.42Å; A474-T477 PolarHBondContact O-OG1 3.36Å; I475-T477 VanDerWaalsContact C-N 3.35Å; I475-T477 PolarHBondContact O-N 3.17Å; T477-A480 PolarHBondContact O-N 3.48Å; T477-E481 PolarHBondContact O-N 3.43Å
478T62.6Low64.2Low84 Ų84102.6 Ų102.652%0.51552%0.518SS..Hα-helixtrans-78.4-26.2-178.848.90000113.1A474 I475 Q476A474-T478 PolarHBondContact O-N 3.26Å; A474-T478 PolarHBondContact O-OG1 3.2Å; I475-T478 PolarHBondContact O-N 3.13Å; I475-T478 PolarHBondContact O-OG1 3.46Å; I475-T478 VanDerWaalsContact O-OG1 3.04Å; Q476-T478 PolarHBondContact O-N 3.5Å
479E61.7Low64Low123 Ų123105.7 Ų105.758%0.57553%0.526SS*.Hα-helixtrans-72.9-35.8169-69-170.5135.500112.6I475 K482 Q483I475-E479 PolarHBondContact O-N 3.08Å; E479-K482 WeakPolarHBondContact O-CB 3.47Å; E479-K482 PolarHBondContact O-N 3.05Å; E479-Q483 PolarHBondContact O-N 3.37Å
480A64.9Low63.9Low57 Ų57104.7 Ų104.747%0.47152%0.523SS..Hα-helixtrans-65.6-47.6177.300000112.7Q476 T477 K482 Q483 E484Q476-A480 WeakPolarHBondContact O-CB 3.42Å; Q476-A480 PolarHBondContact O-N 3.26Å; Q476-A480 VanDerWaalsContact O-N 3.08Å; T477-A480 PolarHBondContact O-N 3.48Å; A480-K482 PolarHBondContact O-N 3.26Å; A480-Q483 PolarHBondContact O-N 3Å; A480-Q483 VanDerWaalsContact O-N 3.13Å; A480-E484 PolarHBondContact O-N 3.46Å; A480-E484 VanDerWaalsContact O-N 3.14Å
481E63.6Low63.8Low135 Ų135105.8 Ų105.863%0.63153%0.531SS*.Hα-helixtrans-57.1-33.6175.9-72.3-177153.500112.4T477 L485T477-E481 PolarHBondContact O-N 3.43Å; E481-L485 WeakPolarHBondContact O-CG 3.49Å; E481-L485 PolarHBondContact O-N 3.06Å
482K62.1Low63.9Low138 Ų138106 Ų10660%0.653%0.53SS*.Hα-helixtrans-70-41.4177.2-171.3-176.8175.5-170.60112.6E479 A480 L485 E486E479-K482 WeakPolarHBondContact O-CB 3.47Å; E479-K482 PolarHBondContact O-N 3.05Å; A480-K482 PolarHBondContact O-N 3.26Å; K482-L485 PolarHBondContact O-N 3.35Å; K482-E486 PolarHBondContact O-N 3.26Å; K482-E486 VanDerWaalsContact O-N 3.09Å
483Q60.1Low63.9Low134 Ų134107.3 Ų107.363%0.62654%0.537SS*.Hα-helixtrans-65.5-38.9176.9-70.2-175.11.700112E479 A480 L485 E486 N487E479-Q483 PolarHBondContact O-N 3.37Å; A480-Q483 PolarHBondContact O-N 3Å; A480-Q483 VanDerWaalsContact O-N 3.13Å; Q483-L485 VanDerWaalsContact C-N 3.32Å; Q483-L485 PolarHBondContact O-N 3.1Å; Q483-E486 PolarHBondContact O-N 3.02Å; Q483-N487 PolarHBondContact O-N 3.27Å; Q483-N487 PolarHBondContact O-ND2 3.21Å
484E62.8Low63.9Low117 Ų117107.8 Ų107.855%0.54754%0.539SS..Hα-helixtrans-60.1-41.8176.4-163.462.5-148.400111.6A480 Q488A480-E484 PolarHBondContact O-N 3.46Å; A480-E484 VanDerWaalsContact O-N 3.14Å; E484-Q488 WeakPolarHBondContact O-CG 3.49Å; E484-Q488 PolarHBondContact O-N 3.32Å; E484-Q488 VanDerWaalsContact O-N 3.17Å
485L61.2Low63.9Low117 Ų117107.9 Ų107.961%0.61354%0.539SS*.Hα-helixtrans-69-36.3176-75.4168.1000113.5E481 K482 Q483 Q488 R489E481-L485 WeakPolarHBondContact O-CG 3.49Å; E481-L485 PolarHBondContact O-N 3.06Å; K482-L485 PolarHBondContact O-N 3.35Å; Q483-L485 VanDerWaalsContact C-N 3.32Å; Q483-L485 PolarHBondContact O-N 3.1Å; L485-Q488 PolarHBondContact O-N 3.04Å; L485-R489 PolarHBondContact O-N 3.46Å
486E60.4Low63.7Low93 Ų93105.9 Ų105.944%0.43553%0.53SS..Hα-helixtrans-67.4-42.1177.1-145.779.6-10600110.7K482 Q483 Q488 R489 V490K482-E486 PolarHBondContact O-N 3.26Å; K482-E486 VanDerWaalsContact O-N 3.09Å; Q483-E486 PolarHBondContact O-N 3.02Å; E486-Q488 PolarHBondContact O-N 3.17Å; E486-R489 WeakPolarHBondContact O-CA 3.48Å; E486-R489 WeakPolarHBondContact O-CB 3.47Å; E486-R489 PolarHBondContact O-N 3.5Å; E486-R489 IonicContact OE1-NH1 2.71Å; E486-V490 PolarHBondContact O-N 3.28Å
487N66Low63.6Low96 Ų96105.4 Ų105.451%0.51353%0.527SS..Hα-helixtrans-61-42.8174.9-72.9-29.3000112.4Q483 R489 V490 L491Q483-N487 PolarHBondContact O-N 3.27Å; Q483-N487 PolarHBondContact O-ND2 3.21Å; N487-R489 PolarHBondContact O-N 3.47Å; N487-V490 PolarHBondContact O-N 3.31Å; N487-L491 PolarHBondContact O-N 3.4Å
488Q62Low63.9Low90 Ų90107.8 Ų107.842%0.42153%0.533SS..Hα-helixtrans-64.6-15.9174.6-72.4178.433.900113.8E484 L485 E486 K492E484-Q488 WeakPolarHBondContact O-CG 3.49Å; E484-Q488 PolarHBondContact O-N 3.32Å; E484-Q488 VanDerWaalsContact O-N 3.17Å; L485-Q488 PolarHBondContact O-N 3.04Å; E486-Q488 PolarHBondContact O-N 3.17Å; Q488-K492 WeakPolarHBondContact O-CD 3.34Å
489R65.3Low63.7Low171 Ų171105.9 Ų105.965%0.64553%0.525SS*.Hα-helixtrans-82.9-52.2176-140175.3-177.4-168.9-2.3110.8L485 E486 N487 L491 K492 E493L485-R489 PolarHBondContact O-N 3.46Å; E486-R489 WeakPolarHBondContact O-CA 3.48Å; E486-R489 WeakPolarHBondContact O-CB 3.47Å; E486-R489 PolarHBondContact O-N 3.5Å; E486-R489 IonicContact OE1-NH1 2.71Å; N487-R489 PolarHBondContact O-N 3.47Å; R489-L491 VanDerWaalsContact C-N 3.31Å; R489-L491 PolarHBondContact O-N 3.02Å; R489-K492 PolarHBondContact O-N 2.95Å; R489-E493 PolarHBondContact O-N 3.39Å; R489-E493 VanDerWaalsContact O-N 3.13Å
490V69.4Low63.5Low71 Ų71103.1 Ų103.143%0.4351%0.513SS..Hα-helixtrans-57.1-42.3179.3177.40000111.8E486 N487 K492 E493 Q494E486-V490 PolarHBondContact O-N 3.28Å; N487-V490 PolarHBondContact O-N 3.31Å; V490-K492 VanDerWaalsContact C-N 3.27Å; V490-K492 PolarHBondContact O-N 3.39Å; V490-E493 PolarHBondContact O-N 3.21Å; V490-E493 VanDerWaalsContact O-N 3.13Å; V490-Q494 PolarHBondContact O-N 3.48Å
491L67.6Low63.6Low115 Ų115104.7 Ų104.760%0.60251%0.511SS*.Hα-helixtrans-60.8-32.8177.4-76.2167000113.6N487 R489 A495N487-L491 PolarHBondContact O-N 3.4Å; R489-L491 VanDerWaalsContact C-N 3.31Å; R489-L491 PolarHBondContact O-N 3.02Å; L491-A495 PolarHBondContact O-N 2.92Å
492K60.7Low63.4Low127 Ų127104.9 Ų104.955%0.55251%0.512SS*.Hα-helixtrans-79.3-28.3176.7-70.3173.9-176.9166.70112.4Q488 R489 V490 L496Q488-K492 WeakPolarHBondContact O-CD 3.34Å; R489-K492 PolarHBondContact O-N 2.95Å; V490-K492 VanDerWaalsContact C-N 3.27Å; V490-K492 PolarHBondContact O-N 3.39Å; K492-L496 WeakPolarHBondContact O-CB 3.4Å; K492-L496 PolarHBondContact O-N 3.16Å; K492-L496 VanDerWaalsContact O-N 3.09Å
493E63.1Low63.1Low121 Ų121102.3 Ų102.357%0.56550%0.504SS*.Hα-helixtrans-74.9-36.9177.5-155.2153.3-135.700111.2R489 V490 L496 Q497R489-E493 PolarHBondContact O-N 3.39Å; R489-E493 VanDerWaalsContact O-N 3.13Å; V490-E493 PolarHBondContact O-N 3.21Å; V490-E493 VanDerWaalsContact O-N 3.13Å; E493-L496 WeakPolarHBondContact O-CB 3.4Å; E493-L496 PolarHBondContact O-N 3.12Å; E493-Q497 PolarHBondContact O-N 3.03Å
494Q65.6Low63.3Low116 Ų11697.7 Ų97.754%0.54248%0.482SS..Hα-helixtrans-64.5-47.2170.3-71.4178-27.300112.6V490 L496 Q497 E498V490-Q494 PolarHBondContact O-N 3.48Å; Q494-L496 VanDerWaalsContact C-N 3.26Å; Q494-L496 PolarHBondContact O-N 2.74Å; Q494-Q497 WeakPolarHBondContact O-CB 3.36Å; Q494-Q497 PolarHBondContact O-N 2.72Å; Q494-E498 PolarHBondContact O-N 3.33Å
495A66.3Low63.5Low55 Ų5596.6 Ų96.646%0.45548%0.477SS..Hα-helixtrans-64-31177.900000113L491 A499L491-A495 PolarHBondContact O-N 2.92Å; A495-A499 PolarHBondContact O-N 3.29Å
496L62.1Low63.3Low49 Ų4995.7 Ų95.726%0.25747%0.472SS..Hα-helixtrans-61.2-52167.416255.4000110.6K492 E493 Q494 E498 A499 M500 E549 P550K492-L496 WeakPolarHBondContact O-CB 3.4Å; K492-L496 PolarHBondContact O-N 3.16Å; K492-L496 VanDerWaalsContact O-N 3.09Å; E493-L496 WeakPolarHBondContact O-CB 3.4Å; E493-L496 PolarHBondContact O-N 3.12Å; Q494-L496 VanDerWaalsContact C-N 3.26Å; Q494-L496 PolarHBondContact O-N 2.74Å; L496-E498 VanDerWaalsContact C-N 3.33Å; L496-E498 PolarHBondContact O-N 3.04Å; L496-A499 WeakPolarHBondContact O-CB 3.4Å; L496-A499 PolarHBondContact O-N 3.35Å; L496-A499 VanDerWaalsContact O-N 3.12Å; L496-M500 HydrophobicContact CD1-CG 4.03Å; L496-M500 HydrophobicContact CD1-SD 4.24Å; L496-M500 WeakPolarHBondContact O-CG 2.94Å; L496-M500 PolarHBondContact O-N 2.97Å; L496-E549 WeakPolarHBondContact CD1-O 3.11Å; L496-P550 HydrophobicContact CD1-CB 3.47Å; L496-P550 VanDerWaalsContact CD1-CB 3.47Å; L496-P550 HydrophobicContact CD1-CG 4.26Å; L496-P550 VanDerWaalsContact CD1-N 3.26Å; L496-P550 HydrophobicContact CD2-CB 3.81Å; L496-P550 HydrophobicContact CG-CB 4.19Å
497Q63.5Low63.2Low121 Ų12194.9 Ų94.957%0.56547%0.469SS*.Hα-helixtrans-59.4-40.1-177.5-148.5108.219.100112.7E493 Q494 M500 E501E493-Q497 PolarHBondContact O-N 3.03Å; Q494-Q497 WeakPolarHBondContact O-CB 3.36Å; Q494-Q497 PolarHBondContact O-N 2.72Å; Q497-M500 WeakPolarHBondContact O-CB 3.48Å; Q497-M500 PolarHBondContact O-N 3.13Å; Q497-E501 WeakPolarHBondContact O-CG 3.48Å; Q497-E501 PolarHBondContact O-N 3.37Å
498E70.2Confident63.1Low134 Ų13492.4 Ų92.463%0.62646%0.455SS*.Hα-helixtrans-66.9-38.1175.1-68.7-174.3152.700113Q494 L496 M500 E501 Q502Q494-E498 PolarHBondContact O-N 3.33Å; L496-E498 VanDerWaalsContact C-N 3.33Å; L496-E498 PolarHBondContact O-N 3.04Å; E498-M500 VanDerWaalsContact C-N 3.27Å; E498-M500 PolarHBondContact O-N 3.3Å; E498-E501 CarbonylContact O-C 3.51Å; E498-E501 WeakPolarHBondContact O-CA 3.5Å; E498-E501 PolarHBondContact O-N 3.01Å; E498-E501 VanDerWaalsContact O-N 3.08Å; E498-Q502 PolarHBondContact O-N 3.04Å; E498-Q502 VanDerWaalsContact O-N 3.12Å
499A60.3Low63.1Low43 Ų4393.7 Ų93.736%0.35546%0.461SS..Hα-helixtrans-65.5-33.8172.800000111.4A495 L496 Q502A495-A499 PolarHBondContact O-N 3.29Å; L496-A499 WeakPolarHBondContact O-CB 3.4Å; L496-A499 PolarHBondContact O-N 3.35Å; L496-A499 VanDerWaalsContact O-N 3.12Å; A499-Q502 PolarHBondContact O-N 3.19Å
500M55.8Low62.6Low66 Ų6693.4 Ų93.433%0.32546%0.46SS..Hα-helixtrans-59-50.9166.5-51-173.867.900110L496 Q497 E498 Q502 L503 E504 I548L496-M500 HydrophobicContact CD1-CG 4.03Å; L496-M500 HydrophobicContact CD1-SD 4.24Å; L496-M500 WeakPolarHBondContact O-CG 2.94Å; L496-M500 PolarHBondContact O-N 2.97Å; Q497-M500 WeakPolarHBondContact O-CB 3.48Å; Q497-M500 PolarHBondContact O-N 3.13Å; E498-M500 VanDerWaalsContact C-N 3.27Å; E498-M500 PolarHBondContact O-N 3.3Å; M500-Q502 PolarHBondContact O-N 3.04Å; M500-L503 PolarHBondContact O-N 3.35Å; M500-E504 WeakPolarHBondContact O-CG 3.4Å; M500-E504 PolarHBondContact O-N 3.36Å; M500-I548 VanDerWaalsContact CB-O 3.31Å; M500-I548 WeakPolarHBondContact CB-O 3.42Å; M500-I548 WeakPolarHBondContact CE-O 3.35Å; M500-I548 WeakPolarHBondContact CG-O 3.41Å; M500-I548 WeakPolarHBondContact O-CA 3.5Å; M500-I548 PolarHBondContact O-N 3.2Å
501E66.6Low62Low90 Ų9096.1 Ų96.142%0.42147%0.466SS..Hα-helixtrans-65.93.1177-59.5-142.3146.100118Q497 E498 E504 Q505 R546Q497-E501 WeakPolarHBondContact O-CG 3.48Å; Q497-E501 PolarHBondContact O-N 3.37Å; E498-E501 CarbonylContact O-C 3.51Å; E498-E501 WeakPolarHBondContact O-CA 3.5Å; E498-E501 PolarHBondContact O-N 3.01Å; E498-E501 VanDerWaalsContact O-N 3.08Å; E501-E504 HydrophobicContact CB-CG 4.43Å; E501-E504 HydrophobicContact CG-CG 4.32Å; E501-E504 WeakPolarHBondContact O-CA 3.35Å; E501-Q505 PolarHBondContact O-NE2 3.48Å; E501-Q505 VanDerWaalsContact O-NE2 3.16Å; E501-R546 IonicContact OE1-CZ 2.68Å; E501-R546 IonicContact OE1-NH1 2.8Å; E501-R546 PolarHBondContact OE1-NH1 3.26Å; E501-R546 IonicContact OE1-NH2 3.18Å; E501-R546 PolarHBondContact OE1-NH2 3.41Å; E501-R546 IonicContact OE2-CZ 3.64Å; E501-R546 IonicContact OE2-NH2 3.6Å; E501-R546 PolarHBondContact OE2-NH2 3.04Å
502Q60Low61.4Low139 Ų13994.3 Ų94.365%0.6546%0.455SS*.Hα-helixtrans-106.8-32.8174.3-75-174.211.100115.1E498 A499 M500E498-Q502 PolarHBondContact O-N 3.04Å; E498-Q502 VanDerWaalsContact O-N 3.12Å; A499-Q502 PolarHBondContact O-N 3.19Å; M500-Q502 PolarHBondContact O-N 3.04Å
503L56.8Low61.3Low83 Ų8391.4 Ų91.444%0.43545%0.454SS..Hα-helixtrans-67.9-28.9153.8-9974.2000109.4M500 Q505 L506 L547 I548M500-L503 PolarHBondContact O-N 3.35Å; L503-Q505 CarbonylContact O-C 2.72Å; L503-Q505 PolarHBondContact O-N 3.31Å; L503-L506 HydrophobicContact CD1-CD1 4.48Å; L503-L506 PolarHBondContact O-N 3.32Å; L503-L547 CarbonylContact C-O 3.23Å; L503-L547 WeakPolarHBondContact CA-O 3.36Å; L503-L547 VanDerWaalsContact CB-O 3.27Å; L503-L547 WeakPolarHBondContact CB-O 3.27Å; L503-I548 HydrophobicContact CB-CB 4.38Å; L503-I548 HydrophobicContact CB-CG1 3.72Å; L503-I548 HydrophobicContact CD2-CD1 3.99Å; L503-I548 HydrophobicContact CD2-CG1 3.63Å; L503-I548 HydrophobicContact CG-CG1 4.3Å
504E63.4Low60.8Low37 Ų3791.5 Ų91.517%0.17346%0.458CS..Hα-helixtrans-1.7-29.2145.120.4-144.6128.200119.4M500 E501 R546 L547 I548M500-E504 WeakPolarHBondContact O-CG 3.4Å; M500-E504 PolarHBondContact O-N 3.36Å; E501-E504 HydrophobicContact CB-CG 4.43Å; E501-E504 HydrophobicContact CG-CG 4.32Å; E501-E504 WeakPolarHBondContact O-CA 3.35Å; E504-R546 HydrophobicContact CB-CG 3.86Å; E504-R546 CarbonylContact O-C 3.55Å; E504-R546 WeakPolarHBondContact O-CG 3.34Å; E504-R546 IonicContact OE2-CZ 2.61Å; E504-R546 IonicContact OE2-NE 2.69Å; E504-R546 IonicContact OE2-NH1 3.95Å; E504-R546 PolarHBondContact OE2-NH1 3.08Å; E504-L547 VanDerWaalsContact CB-N 3.29Å; E504-L547 VanDerWaalsContact CG-CA 3.4Å; E504-L547 PolarHBondContact N-O 3.33Å; E504-L547 PolarHBondContact O-N 3.18Å; E504-L547 VanDerWaalsContact O-N 3.12Å; E504-L547 VanDerWaalsContact OE1-C 3.29Å; E504-L547 WeakPolarHBondContact OE1-CA 3.49Å; E504-I548 PolarHBondContact OE1-N 3.23Å
505Q67Low60.5Low94 Ų9492.8 Ų92.844%0.43946%0.464SS..Hα-helixtrans-129.4-33.2173.2-72.591.17800114.4E501 L503 E507 L508 E509E501-Q505 PolarHBondContact O-NE2 3.48Å; E501-Q505 VanDerWaalsContact O-NE2 3.16Å; L503-Q505 CarbonylContact O-C 2.72Å; L503-Q505 PolarHBondContact O-N 3.31Å; Q505-E507 PolarHBondContact O-N 3.11Å; Q505-L508 PolarHBondContact O-N 3.16Å; Q505-L508 VanDerWaalsContact O-N 3.11Å; Q505-E509 PolarHBondContact O-N 2.91Å; Q505-E509 VanDerWaalsContact O-N 3.16Å
506L58Low59.9Low98 Ų9896.1 Ų96.151%0.51347%0.47SS..Hα-helixtrans-65.5-35-162.9-63.8173.4000114.6L503 L508 R510L503-L506 HydrophobicContact CD1-CD1 4.48Å; L503-L506 PolarHBondContact O-N 3.32Å; L506-L508 VanDerWaalsContact C-N 3.33Å; L506-L508 PolarHBondContact O-N 2.96Å; L506-R510 WeakPolarHBondContact O-CB 3.4Å; L506-R510 PolarHBondContact O-N 3.01Å
507E57.9Low59.6Low76 Ų76102.6 Ų102.636%0.35549%0.492SS..Hα-helixtrans-68.5-28.8176.9-85.8-94.9121.100112.8Q505 R510 K511Q505-E507 PolarHBondContact O-N 3.11Å; E507-R510 IonicContact OE1-NH1 3.1Å; E507-R510 PolarHBondContact OE1-NH1 2.66Å; E507-R510 VanDerWaalsContact OE1-NH1 3.1Å; E507-K511 PolarHBondContact O-N 3.12Å
508L62.6Low59.1Low44 Ų44102.6 Ų102.623%0.2349%0.492CS..Hα-helixtrans-86.8-36.4177.4-158.576.8000112.8Q505 L506 R510 K511 Q512 I545 R546Q505-L508 PolarHBondContact O-N 3.16Å; Q505-L508 VanDerWaalsContact O-N 3.11Å; L506-L508 VanDerWaalsContact C-N 3.33Å; L506-L508 PolarHBondContact O-N 2.96Å; L508-R510 PolarHBondContact O-N 3.37Å; L508-K511 HydrophobicContact CD1-CB 4.23Å; L508-K511 HydrophobicContact CD1-CD 4.05Å; L508-K511 WeakPolarHBondContact O-CA 3.47Å; L508-K511 WeakPolarHBondContact O-CB 3.18Å; L508-K511 PolarHBondContact O-N 3.08Å; L508-Q512 VanDerWaalsContact CD2-NE2 3.25Å; L508-Q512 HydrophobicContact CG-CG 4.33Å; L508-Q512 WeakPolarHBondContact O-CG 3.09Å; L508-Q512 PolarHBondContact O-N 2.95Å; L508-I545 VanDerWaalsContact CD2-O 3.27Å; L508-I545 WeakPolarHBondContact CD2-O 3.14Å; L508-R546 VanDerWaalsContact CD2-N 3.32Å
509E62.1Low58.3Low117 Ų117100.9 Ų100.955%0.54748%0.484SS..Hα-helixtrans-53.4-44.3169.3-68.4-174.5157.200110.7Q505 K511 Q512 A513Q505-E509 PolarHBondContact O-N 2.91Å; Q505-E509 VanDerWaalsContact O-N 3.16Å; E509-K511 VanDerWaalsContact C-N 3.3Å; E509-K511 PolarHBondContact O-N 2.94Å; E509-Q512 PolarHBondContact O-N 3.45Å; E509-A513 WeakPolarHBondContact O-CB 3.44Å; E509-A513 PolarHBondContact O-N 3.2Å
510R56.1Low58.2Low165 Ų165103.6 Ų103.662%0.62350%0.496SS*.Hα-helixtrans-58.8-34.2174-177.6-177.5177.8-160.72.3113.9L506 E507 L508L506-R510 WeakPolarHBondContact O-CB 3.4Å; L506-R510 PolarHBondContact O-N 3.01Å; E507-R510 IonicContact OE1-NH1 3.1Å; E507-R510 PolarHBondContact OE1-NH1 2.66Å; E507-R510 VanDerWaalsContact OE1-NH1 3.1Å; L508-R510 PolarHBondContact O-N 3.37Å
511K57Low58Low129 Ų129107.4 Ų107.456%0.56151%0.511SS*.Hα-helixtrans-75.8-48.1175.2-91.3172.3175162.10112.2E507 L508 E509 A513 L514 E515E507-K511 PolarHBondContact O-N 3.12Å; L508-K511 HydrophobicContact CD1-CB 4.23Å; L508-K511 HydrophobicContact CD1-CD 4.05Å; L508-K511 WeakPolarHBondContact O-CA 3.47Å; L508-K511 WeakPolarHBondContact O-CB 3.18Å; L508-K511 PolarHBondContact O-N 3.08Å; E509-K511 VanDerWaalsContact C-N 3.3Å; E509-K511 PolarHBondContact O-N 2.94Å; K511-A513 VanDerWaalsContact C-N 3.28Å; K511-A513 PolarHBondContact O-N 3.48Å; K511-L514 WeakPolarHBondContact O-CB 3.4Å; K511-L514 PolarHBondContact O-N 3.24Å; K511-L514 VanDerWaalsContact O-N 3.08Å; K511-E515 PolarHBondContact O-N 3.12Å
512Q55.2Low57.4Low77 Ų77109.4 Ų109.436%0.3652%0.518SS..Hα-helixtrans-63.3-35.7-177-67.7178.71100112L508 E509 L514 E515 Q516L508-Q512 VanDerWaalsContact CD2-NE2 3.25Å; L508-Q512 HydrophobicContact CG-CG 4.33Å; L508-Q512 WeakPolarHBondContact O-CG 3.09Å; L508-Q512 PolarHBondContact O-N 2.95Å; E509-Q512 PolarHBondContact O-N 3.45Å; Q512-L514 VanDerWaalsContact C-N 3.27Å; Q512-L514 PolarHBondContact O-N 2.92Å; Q512-E515 PolarHBondContact O-N 3.07Å; Q512-Q516 WeakPolarHBondContact O-CG 3.48Å; Q512-Q516 PolarHBondContact O-N 3.46Å; Q512-Q516 VanDerWaalsContact O-N 3.15Å
513A57Low57Low65 Ų65108.5 Ų108.554%0.53751%0.512SS..Hα-helixtrans-61.8-30.6174.900000113.7E509 K511E509-A513 WeakPolarHBondContact O-CB 3.44Å; E509-A513 PolarHBondContact O-N 3.2Å; K511-A513 VanDerWaalsContact C-N 3.28Å; K511-A513 PolarHBondContact O-N 3.48Å
514L53.8Low57Low123 Ų123112 Ų11264%0.64453%0.531SS*.Hα-helixtrans-76.1-44.5178.2-73.7165000111.9K511 Q512 Y517 E518K511-L514 WeakPolarHBondContact O-CB 3.4Å; K511-L514 PolarHBondContact O-N 3.24Å; K511-L514 VanDerWaalsContact O-N 3.08Å; Q512-L514 VanDerWaalsContact C-N 3.27Å; Q512-L514 PolarHBondContact O-N 2.92Å; L514-Y517 PolarHBondContact O-N 3.09Å; L514-E518 PolarHBondContact O-N 3.19Å
515E58.2Low56.2Low143 Ų143117.4 Ų117.467%0.66856%0.556SS**Hα-helixtrans-64.7-41179-69.4-174.9128.400112.3K511 Q512 Y517 E518 E519K511-E515 PolarHBondContact O-N 3.12Å; Q512-E515 PolarHBondContact O-N 3.07Å; E515-Y517 VanDerWaalsContact C-N 3.27Å; E515-Y517 PolarHBondContact O-N 3.13Å; E515-E518 PolarHBondContact O-N 3.02Å; E515-E519 PolarHBondContact O-N 3.3Å
516Q54.8Low55.2Low126 Ų126120.3 Ų120.359%0.58957%0.571SS**Hα-helixtrans-61.8-34.4178.9-72.1-17616.800112.7Q512 E519 V520Q512-Q516 WeakPolarHBondContact O-CG 3.48Å; Q512-Q516 PolarHBondContact O-N 3.46Å; Q512-Q516 VanDerWaalsContact O-N 3.15Å; Q516-E519 PolarHBondContact O-N 3.09Å; Q516-V520 WeakPolarHBondContact O-CG2 3.27Å; Q516-V520 PolarHBondContact O-N 2.74Å; Q516-V520 VanDerWaalsContact O-N 3.08Å
517Y56.3Low54.8Low185 Ų185120.1 Ų120.173%0.72558%0.584SS**Hα-helixtrans-70.5-37.1178.1-163-101.5000112.5L514 E515 K521L514-Y517 PolarHBondContact O-N 3.09Å; E515-Y517 VanDerWaalsContact C-N 3.27Å; E515-Y517 PolarHBondContact O-N 3.13Å; Y517-K521 PolarHBondContact O-N 2.88Å
518E52.5Low54.3Low120 Ų120122 Ų12256%0.56160%0.601SS**Hα-helixtrans-70.6-29.7173.7-68.6-140117.500113.4L514 E515L514-E518 PolarHBondContact O-N 3.19Å; E515-E518 PolarHBondContact O-N 3.02Å
519E53.3Low53.6Low99 Ų99126.2 Ų126.246%0.46362%0.619SS.*Hα-helixtrans-70.1-44.4172.5-83.9-138.511300113.1E515 Q516 K521 K522 K523E515-E519 PolarHBondContact O-N 3.3Å; Q516-E519 PolarHBondContact O-N 3.09Å; E519-K521 PolarHBondContact O-N 3.35Å; E519-K522 PolarHBondContact O-N 2.76Å; E519-K523 WeakPolarHBondContact O-CG 3.14Å; E519-K523 PolarHBondContact O-N 2.97Å; E519-K523 WeakPolarHBondContact OE1-CE 3.5Å; E519-K523 IonicContact OE1-NZ 3.61Å; E519-K523 PolarHBondContact OE1-NZ 2.62Å; E519-K523 IonicContact OE2-NZ 2.72Å; E519-K523 PolarHBondContact OE2-NZ 3.5Å
520V58Low52.9Low99 Ų99127 Ų12760%0.662%0.621SS**Hα-helixtrans-60.5-38.4178.1170.60000110.8Q516 K522 K523 L524Q516-V520 WeakPolarHBondContact O-CG2 3.27Å; Q516-V520 PolarHBondContact O-N 2.74Å; Q516-V520 VanDerWaalsContact O-N 3.08Å; V520-K522 PolarHBondContact O-N 2.98Å; V520-K523 PolarHBondContact O-N 2.73Å; V520-L524 PolarHBondContact O-N 3.11Å
521K50.9Low52.6Low146 Ų146126 Ų12664%0.63563%0.633SS**Hα-helixtrans-57.3-31.7173.7-175.3-179.5175.4-173.20113.6Y517 E519Y517-K521 PolarHBondContact O-N 2.88Å; E519-K521 PolarHBondContact O-N 3.35Å
522K55.5Low52.1Low132 Ų132128.9 Ų128.957%0.57465%0.645SS**Hα-helixtrans-89.3-38.5176.4-73.3170.9178162.10113.4E519 V520 L524 E525E519-K522 PolarHBondContact O-N 2.76Å; V520-K522 PolarHBondContact O-N 2.98Å; K522-L524 VanDerWaalsContact C-N 3.27Å; K522-L524 PolarHBondContact O-N 3.3Å; K522-E525 PolarHBondContact O-N 3.47Å; K522-E525 VanDerWaalsContact O-N 3.11Å
523K51.3Low51.2Low120 Ų120129.7 Ų129.752%0.52266%0.66SS.*Hα-helixtrans-70.5-22.1-170.5-74.1173.4-178.7174.20113.5E519 V520 E525E519-K523 WeakPolarHBondContact O-CG 3.14Å; E519-K523 PolarHBondContact O-N 2.97Å; E519-K523 WeakPolarHBondContact OE1-CE 3.5Å; E519-K523 IonicContact OE1-NZ 3.61Å; E519-K523 PolarHBondContact OE1-NZ 2.62Å; E519-K523 IonicContact OE2-NZ 2.72Å; E519-K523 PolarHBondContact OE2-NZ 3.5Å; V520-K523 PolarHBondContact O-N 2.73Å; K523-E525 VanDerWaalsContact C-N 3.31Å; K523-E525 PolarHBondContact O-N 3.36Å
524L55.4Low50.5Low158 Ų158137.2 Ų137.283%0.82768%0.675SS**Hα-helixtrans-72.2-20.4172.7-145.975.3000113.7V520 K522V520-L524 PolarHBondContact O-N 3.11Å; K522-L524 VanDerWaalsContact C-N 3.27Å; K522-L524 PolarHBondContact O-N 3.3Å
525E47.4Very low49.7Very low150 Ų150138.7 Ų138.770%0.70168%0.676SS**Hα-helixtrans-81.3-22.2-178.7-58.8-175.7127.500113.3K522 K523K522-E525 PolarHBondContact O-N 3.47Å; K522-E525 VanDerWaalsContact O-N 3.11Å; K523-E525 VanDerWaalsContact C-N 3.31Å; K523-E525 PolarHBondContact O-N 3.36Å
526M45.2Very low48.6Very low154 Ų154137.9 Ų137.976%0.75968%0.676SS**Hα-helixtrans-109.3-29.7-162.1-74.8-167.468.700117.4T528M526-T528 PolarHBondContact O-N 2.91Å
527A50.8Low48.7Very low95 Ų95140.1 Ų140.179%0.78568%0.684SS**  trans-76.812.1-165.800000115.4H529A527-H529 PolarHBondContact O-N 3.04Å
528T46.9Very low48.5Very low116 Ų116137.6 Ų137.671%0.71269%0.687SS**SBendtrans-672.5-16648.60000116.9M526M526-T528 PolarHBondContact O-N 2.91Å
529H47.6Very low48.3Very low131 Ų131136.6 Ų136.661%0.60670%0.7SS**SBendtrans-133.4-51.6-147.2-136.62.3000122.7A527A527-H529 PolarHBondContact O-N 3.04Å
530K47.7Very low48.3Very low135 Ų135142.2 Ų142.259%0.58773%0.725SS**  trans-157.1143.6-174.4-73.398.2-170.8-176.80110.6K532K530-K532 HydrophobicContact CB-CB 4.18Å; K530-K532 HydrophobicContact CG-CB 3.86Å
531T50.7Low47.8Very low144 Ų144145 Ų14588%0.88373%0.732SS**  cis47.978.7-3.940.50000116.2
532K45.7Very low47.3Very low188 Ų188146.7 Ų146.782%0.81774%0.742SS**SBendtrans-156-33.8156.3-150.8169.6-172.9-179.40116K530K530-K532 HydrophobicContact CB-CB 4.18Å; K530-K532 HydrophobicContact CG-CB 3.86Å
533S37.3Very low46.5Very low95 Ų95144.7 Ų144.766%0.66476%0.758SS**  trans-144.788.4173.8-169.40000108K535S533-K535 PolarHBondContact O-N 3.35Å
534W41.8Very low45.9Very low223 Ų223147.7 Ų147.785%0.84578%0.779SS**SBendtrans-78.945.3171.2-145.277.7000110.7D536W534-D536 PolarHBondContact O-N 2.68Å
535K36.8Very low44.9Very low154 Ų154147 Ų14767%0.6777%0.774SS**  trans28.576.2-165.1-63.3171.5-173.1173.80109S533 K537 V538S533-K535 PolarHBondContact O-N 3.35Å; K535-K537 CarbonylContact O-C 3.6Å; K535-K537 VanDerWaalsContact O-C 3.23Å; K535-K537 WeakPolarHBondContact O-CA 3.5Å; K535-K537 PolarHBondContact O-N 3.27Å; K535-V538 PolarHBondContact O-N 2.78Å
536D34.5Very low44Very low125 Ų125144.9 Ų144.967%0.66876%0.76SS**THydrogen-bonded Turntrans-45.9108.5155.9173.827.8000104W534W534-D536 PolarHBondContact O-N 2.68Å
537K57.3Low43.3Very low174 Ų174141.8 Ų141.876%0.75775%0.746SS**THydrogen-bonded Turntrans87.40-158.8-45.6100-179.1159.90122.7K535K535-K537 CarbonylContact O-C 3.6Å; K535-K537 VanDerWaalsContact O-C 3.23Å; K535-K537 WeakPolarHBondContact O-CA 3.5Å; K535-K537 PolarHBondContact O-N 3.27Å
538V52.5Low42.3Very low132 Ų132140.9 Ų140.980%0.873%0.727SS**  000172.50000133.2K535K535-V538 PolarHBondContact O-N 2.78Å
539A48.5Very low41.5Very low99 Ų99142.4 Ų142.482%0.81873%0.726SS**  00000000136.9
540H51.8Low40.9Very low217 Ų217141 Ų141100%1.00573%0.729SS**  000-136.5-105.2000137.5
541H48.8Very low39.9Very low158 Ų158138.8 Ų138.873%0.73174%0.744SS**  000-71.7-68000139.1
542E40.4Very low38.9Very low181 Ų181137.6 Ų137.685%0.84674%0.742SS**  000-35.979.3-16900140.2
543G38.2Very low38.2Very low89 Ų89138.9 Ų138.992%0.91875%0.748SS**  00000000139.6
544L38.8Very low38Very low184 Ų184142.8 Ų142.896%0.96376%0.761SS**  000-63.2-179000140.3
545I34.3Very low38.2Very low142 Ų142138 Ų13873%0.72876%0.759SS**  000-1.7177.8000143.5L508L508-I545 VanDerWaalsContact CD2-O 3.27Å; L508-I545 WeakPolarHBondContact CD2-O 3.14Å
546R28.5Very low38.2Very low107 Ų107140 Ų14040%0.40477%0.771SS.*  000-145.9-178.6-158.1-118.511.7138.6E501 E504 L508E501-R546 IonicContact OE1-CZ 2.68Å; E501-R546 IonicContact OE1-NH1 2.8Å; E501-R546 PolarHBondContact OE1-NH1 3.26Å; E501-R546 IonicContact OE1-NH2 3.18Å; E501-R546 PolarHBondContact OE1-NH2 3.41Å; E501-R546 IonicContact OE2-CZ 3.64Å; E501-R546 IonicContact OE2-NH2 3.6Å; E501-R546 PolarHBondContact OE2-NH2 3.04Å; E504-R546 HydrophobicContact CB-CG 3.86Å; E504-R546 CarbonylContact O-C 3.55Å; E504-R546 WeakPolarHBondContact O-CG 3.34Å; E504-R546 IonicContact OE2-CZ 2.61Å; E504-R546 IonicContact OE2-NE 2.69Å; E504-R546 IonicContact OE2-NH1 3.95Å; E504-R546 PolarHBondContact OE2-NH1 3.08Å; L508-R546 VanDerWaalsContact CD2-N 3.32Å
547L31.5Very low38.8Very low89 Ų89142 Ų14247%0.46678%0.78SS.*  000-71.8-157.8000140.3L503 E504L503-L547 CarbonylContact C-O 3.23Å; L503-L547 WeakPolarHBondContact CA-O 3.36Å; L503-L547 VanDerWaalsContact CB-O 3.27Å; L503-L547 WeakPolarHBondContact CB-O 3.27Å; E504-L547 VanDerWaalsContact CB-N 3.29Å; E504-L547 VanDerWaalsContact CG-CA 3.4Å; E504-L547 PolarHBondContact N-O 3.33Å; E504-L547 PolarHBondContact O-N 3.18Å; E504-L547 VanDerWaalsContact O-N 3.12Å; E504-L547 VanDerWaalsContact OE1-C 3.29Å; E504-L547 WeakPolarHBondContact OE1-CA 3.49Å
548I28.3Very low38.2Very low75 Ų75141.7 Ų141.739%0.38579%0.785SS.*  00076.2166.9000142M500 L503 E504M500-I548 VanDerWaalsContact CB-O 3.31Å; M500-I548 WeakPolarHBondContact CB-O 3.42Å; M500-I548 WeakPolarHBondContact CE-O 3.35Å; M500-I548 WeakPolarHBondContact CG-O 3.41Å; M500-I548 WeakPolarHBondContact O-CA 3.5Å; M500-I548 PolarHBondContact O-N 3.2Å; L503-I548 HydrophobicContact CB-CB 4.38Å; L503-I548 HydrophobicContact CB-CG1 3.72Å; L503-I548 HydrophobicContact CD2-CD1 3.99Å; L503-I548 HydrophobicContact CD2-CG1 3.63Å; L503-I548 HydrophobicContact CG-CG1 4.3Å; E504-I548 PolarHBondContact OE1-N 3.23Å
549E30.2Very low38.5Very low148 Ų148142.3 Ų142.369%0.69279%0.789SS**  000-89.7-158.486.200141.3L496L496-E549 WeakPolarHBondContact CD1-O 3.11Å
550P34.8Very low38.5Very low101 Ų101145.9 Ų145.966%0.65680%0.795SS**  00048.8-44.3000143.2L496L496-P550 HydrophobicContact CD1-CB 3.47Å; L496-P550 VanDerWaalsContact CD1-CB 3.47Å; L496-P550 HydrophobicContact CD1-CG 4.26Å; L496-P550 VanDerWaalsContact CD1-N 3.26Å; L496-P550 HydrophobicContact CD2-CB 3.81Å; L496-P550 HydrophobicContact CG-CB 4.19Å
551G27.2Very low37.6Very low89 Ų89148.8 Ų148.892%0.91880%0.797SS**  00000000136.8
552S30.7Very low37.4Very low120 Ų120144.6 Ų144.684%0.83980%0.797SS**  00075.70000134.4
553K29.8Very low37.8Very low215 Ų215143.2 Ų143.294%0.93580%0.803SS**  000-69.1167.7-173.5175.10138.4
554N34.5Very low38.2Very low176 Ų176144.9 Ų144.994%0.94181%0.808SS**  000-163.971.4000138.4
555P45.3Very low39Very low124 Ų124141.2 Ų141.281%0.80580%0.804SS**  00046.1-27.1000140.3
556H37Very low39.8Very low196 Ų196144.8 Ų144.891%0.90782%0.815SS**  000-135.946.7000135
557L46.6Very low40.9Very low165 Ų165146.6 Ų146.686%0.86484%0.838SS**  000-119.7179000134.6
558I45.3Very low41.4Very low169 Ų169149 Ų14987%0.86785%0.847SS**  000-157.2-110.2000138.5
559T57.3Low42.8Very low145 Ų145150 Ų15089%0.8987%0.866SS**  00063.80000139.2
560N50.2Low44.1Very low174 Ų174150.9 Ų150.993%0.9387%0.87SS**  00059.7-132.3000140
561W31.6Very low45.1Very low278 Ų278151.2 Ų151.2100%1.05387%0.866SS**  000-167.3-116.6000138.7
562G43.9Very low46.7Very low70 Ų70154.6 Ų154.672%0.72286%0.858SS**  00000000140.5
563P50.4Low48Very low151 Ų151157.3 Ų157.398%0.98186%0.857SS**  00046.2-27.4000140.3
564A46.7Very low49.4Very low124 Ų124157.4 Ų157.4100%1.02585%0.852SS**  00000000139.2
565A54.8Low50.7Low107 Ų107154.5 Ų154.588%0.88483%0.833SS**  00000000131.9
566F52Low51.4Low218 Ų218156.6 Ų156.696%0.95683%0.829SS**  0156.70-93.9-45.8000119.2
567T50.6Low52.5Low144 Ų144153.3 Ų153.388%0.88382%0.818SS**  trans-174.1158.3153.9-1.20000120.8A569T567-A569 PolarHBondContact O-N 3.42Å
568E42.6Very low53.1Low140 Ų140154 Ų15465%0.65481%0.809SS**  trans-79.162.3-176.2-77.6174.6108.700117.8E570 L571E568-E570 PolarHBondContact O-N 3.31Å; E568-L571 HydrophobicContact CB-CB 4.32Å; E568-L571 WeakPolarHBondContact O-CB 2.88Å; E568-L571 PolarHBondContact O-N 3.37Å
569A57.4Low53.7Low95 Ų95151.8 Ų151.879%0.78579%0.793SS**G310 helixtrans-66.1-19.4159.900000112.2T567 L571T567-A569 PolarHBondContact O-N 3.42Å; A569-L571 PolarHBondContact O-N 3.15Å; A569-L571 VanDerWaalsContact O-N 3.11Å
570E56.8Low53.8Low168 Ų168153.2 Ų153.279%0.78579%0.79SS**G310 helixtrans-68.10.4177.1-55.3176.7125.500114.1E568E568-E570 PolarHBondContact O-N 3.31Å
571L56.4Low54.1Low107 Ų107154.1 Ų154.156%0.5679%0.786SS**G310 helixtrans-85.2-46.5-175.9-165.178.5000113.6E568 A569E568-L571 HydrophobicContact CB-CB 4.32Å; E568-L571 WeakPolarHBondContact O-CB 2.88Å; E568-L571 PolarHBondContact O-N 3.37Å; A569-L571 PolarHBondContact O-N 3.15Å; A569-L571 VanDerWaalsContact O-N 3.11Å
572E60.1Low55.3Low160 Ų160148.4 Ų148.475%0.74877%0.768SS**THydrogen-bonded Turntrans-71.9-39.2-161.4-67.3-165.2140.900114.3R574 E575E572-R574 PolarHBondContact O-N 3.44Å; E572-R574 VanDerWaalsContact O-N 3.17Å; E572-E575 WeakPolarHBondContact O-CB 3.09Å; E572-E575 PolarHBondContact O-N 3.35Å
573E59.3Low55.7Low178 Ų178151 Ų15183%0.83277%0.771SS**Hα-helixtrans-65.5-25.1-172.8-166.5166.9-135.100112.6E575E573-E575 VanDerWaalsContact C-N 3.32Å; E573-E575 PolarHBondContact O-N 3.34Å
574R57.7Low55.7Low216 Ų216150.3 Ų150.382%0.81576%0.764SS**Hα-helixtrans-67.6-27172.1-79.6178.9163.4157-2.2113.6E572E572-R574 PolarHBondContact O-N 3.44Å; E572-R574 VanDerWaalsContact O-N 3.17Å
575E61.8Low55.1Low116 Ų116156.8 Ų156.854%0.54277%0.772SS.*Hα-helixtrans-74.6-30.9-174.1-152.4-146.3-135.300112.6E572 E573 W578 K579E572-E575 WeakPolarHBondContact O-CB 3.09Å; E572-E575 PolarHBondContact O-N 3.35Å; E573-E575 VanDerWaalsContact C-N 3.32Å; E573-E575 PolarHBondContact O-N 3.34Å; E575-W578 WeakPolarHBondContact O-CB 3.31Å; E575-W578 PolarHBondContact O-N 2.98Å; E575-K579 IonicContact OE2-NZ 3.51Å; E575-K579 PolarHBondContact OE2-NZ 3.43Å
576K61.5Low55.2Low167 Ų167159.3 Ų159.373%0.72677%0.767SS**Hα-helixtrans-69.1-39.1-173.5-154.6173.3-174.5179.20112.7W578 K579K576-W578 PolarHBondContact O-N 3.08Å; K576-W578 VanDerWaalsContact O-N 3.09Å; K576-K579 PolarHBondContact O-N 2.9Å
577N59.7Low55.3Low127 Ų127156.2 Ų156.268%0.67976%0.757SS**THydrogen-bonded Turntrans-61.8-14.3177.4-113.4-58.5000114.1
578W58.9Low55.6Low180 Ų180156.8 Ų156.868%0.68275%0.75SS**THydrogen-bonded Turntrans-82.7-22.9178.7-172.774.7000113.3E575 K576E575-W578 WeakPolarHBondContact O-CB 3.31Å; E575-W578 PolarHBondContact O-N 2.98Å; K576-W578 PolarHBondContact O-N 3.08Å; K576-W578 VanDerWaalsContact O-N 3.09Å
579K58.7Low56.4Low122 Ų122157.8 Ų157.853%0.5376%0.756SS.*THydrogen-bonded Turntrans-83.4-27.9-166.5-76.4166.3173.9159.80114.9E575 K576 K581E575-K579 IonicContact OE2-NZ 3.51Å; E575-K579 PolarHBondContact OE2-NZ 3.43Å; K576-K579 PolarHBondContact O-N 2.9Å; K579-K581 PolarHBondContact O-N 3.1Å
580E59.4Low56.3Low175 Ų175161.8 Ų161.882%0.81875%0.754SS**THydrogen-bonded Turntrans-76.9-17.7-175.6-65.7-177154.500114.4K582E580-K582 VanDerWaalsContact C-N 3.33Å; E580-K582 PolarHBondContact O-N 3.25Å
581K55.8Low56.3Low194 Ų194161.3 Ų161.384%0.84375%0.752SS**THydrogen-bonded Turntrans-87.223.7-173.2-70.2-174.7175.1176.50115.2K579K579-K581 PolarHBondContact O-N 3.1Å
582K57.6Low56.2Low158 Ų158165.2 Ų165.269%0.68777%0.765SS**SBendtrans-121.7-19.9-162.9-150.3173.6-179.6-177.60118.9E580E580-K582 VanDerWaalsContact C-N 3.33Å; E580-K582 PolarHBondContact O-N 3.25Å
583T51.3Low55.9Low125 Ų125165.6 Ų165.677%0.76777%0.767SS**  trans-142.8106-175.543.70000113.8
584T49.6Very low55.7Low136 Ų136164.6 Ų164.683%0.83476%0.761SS**  trans-88.8141.3140.146.40000108.3
585E36Very low55.5Low259 Ų259159.9 Ų159.9100%1.2176%0.756SS**  trans650-174.4-57.3-172.6133.400115.7

Retrieved 585 of 585 residues in 247.5 ms (Link to these results)

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