A0A3Q0KPK6_SCHMA Loading...

Sorting nexin, putative

AlphaFold DB , UniProt , Accession A0A3Q0KPK6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 875 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M79.8Confident89.6Confident130 Ų13042.1 Ų42.164%0.6422%0.221SC*.  0-62.90-167.8176.384.200111.8N3 L4 L5 F765M1-N3 PolarHBondContact O-N 3.12Å; M1-L4 WeakPolarHBondContact O-CA 3.31Å; M1-L4 WeakPolarHBondContact O-CB 3.25Å; M1-L4 PolarHBondContact O-N 3.43Å; M1-L5 HydrophobicContact CG-CD1 3.95Å; M1-L5 HydrophobicContact CG-CG 4.36Å; M1-L5 PolarHBondContact O-N 3.43Å; M1-F765 HydrophobicContact CB-CZ 4.35Å; M1-F765 HydrophobicContact CG-CZ 3.92Å
2I86.8Confident89.8Confident44 Ų4438.7 Ų38.723%0.22620%0.203CC..Hα-helixtrans-54.1-50.8-178.8-67.9154.9000112.2L4 L5 S6 R832 V835I2-L4 PolarHBondContact O-N 3.4Å; I2-L4 VanDerWaalsContact O-N 3.14Å; I2-L5 PolarHBondContact O-N 3.45Å; I2-L5 VanDerWaalsContact O-N 3.11Å; I2-S6 WeakPolarHBondContact O-CB 3.36Å; I2-S6 PolarHBondContact O-N 3.23Å; I2-S6 PolarHBondContact O-OG 3.32Å; I2-R832 HydrophobicContact CG2-CG 3.94Å; I2-V835 HydrophobicContact CG1-CG1 4.35Å; I2-V835 HydrophobicContact CG2-CG1 4.39Å
3N89Confident89.6Confident105 Ų10536.6 Ų36.656%0.56119%0.191SC*.Hα-helixtrans-57.5-30.7178.4-62.9-1.1000113.2M1 S6 D7M1-N3 PolarHBondContact O-N 3.12Å; N3-S6 VanDerWaalsContact CA-OG 3.31Å; N3-S6 WeakPolarHBondContact CA-OG 3.38Å; N3-S6 PolarHBondContact O-OG 2.8Å; N3-S6 VanDerWaalsContact O-OG 3.14Å; N3-D7 PolarHBondContact O-N 3.01Å
4L86.5Confident89.3Confident31 Ų3135.8 Ų35.816%0.16219%0.189CC..Hα-helixtrans-75.6-47.7176.9176.676.3000110.9M1 I2 S6 D7 F10 Y764 F765M1-L4 WeakPolarHBondContact O-CA 3.31Å; M1-L4 WeakPolarHBondContact O-CB 3.25Å; M1-L4 PolarHBondContact O-N 3.43Å; I2-L4 PolarHBondContact O-N 3.4Å; I2-L4 VanDerWaalsContact O-N 3.14Å; L4-S6 PolarHBondContact O-N 3.47Å; L4-D7 WeakPolarHBondContact O-CB 3.13Å; L4-D7 PolarHBondContact O-N 2.7Å; L4-F10 HydrophobicContact CD1-CB 4.27Å; L4-F10 HydrophobicContact CD1-CD2 3.59Å; L4-F10 HydrophobicContact CD1-CE2 4.28Å; L4-F10 HydrophobicContact CD1-CG 4.09Å; L4-F10 HydrophobicContact CD2-CD2 4Å; L4-F10 HydrophobicContact CD2-CE2 3.84Å; L4-F10 HydrophobicContact CD2-CZ 4.39Å; L4-F10 HydrophobicContact CG-CD2 3.61Å; L4-F10 HydrophobicContact CG-CE2 3.97Å; L4-F10 HydrophobicContact CG-CG 3.98Å; L4-F10 WeakPolarHBondContact O-CB 3.46Å; L4-F10 WeakPolarHBondContact O-CD1 3.45Å; L4-F10 WeakPolarHBondContact O-CG 3.48Å; L4-Y764 HydrophobicContact CD1-CE1 3.51Å; L4-Y764 VanDerWaalsContact CD1-OH 3.27Å; L4-Y764 WeakPolarHBondContact CD1-OH 3.45Å; L4-Y764 HydrophobicContact CD2-CD1 3.58Å; L4-Y764 HydrophobicContact CD2-CE1 3.21Å; L4-Y764 HydrophobicContact CG-CE1 3.93Å; L4-F765 HydrophobicContact CD2-CD1 4.41Å; L4-F765 HydrophobicContact CD2-CE1 3.48Å; L4-F765 VanDerWaalsContact CD2-CE1 3.48Å; L4-F765 HydrophobicContact CD2-CE2 4.3Å; L4-F765 HydrophobicContact CD2-CZ 3.4Å; L4-F765 VanDerWaalsContact CD2-CZ 3.4Å
5L87.6Confident89Confident48 Ų4835.5 Ų35.525%0.25119%0.187SC..Hα-helixtrans-66.8-22179.6-64.1176.8000112M1 I2 F10 V11 V835M1-L5 HydrophobicContact CG-CD1 3.95Å; M1-L5 HydrophobicContact CG-CG 4.36Å; M1-L5 PolarHBondContact O-N 3.43Å; I2-L5 PolarHBondContact O-N 3.45Å; I2-L5 VanDerWaalsContact O-N 3.11Å; L5-F10 HydrophobicContact CD2-CD1 4.31Å; L5-F10 HydrophobicContact CD2-CE1 3.57Å; L5-F10 HydrophobicContact CD2-CZ 4.05Å; L5-V11 WeakPolarHBondContact O-CG2 3.28Å; L5-V835 HydrophobicContact CB-CG1 4.04Å; L5-V835 HydrophobicContact CB-CG2 3.64Å; L5-V835 HydrophobicContact CD1-CG1 4.07Å
6S93.2Very high88.5Confident0 Ų034.1 Ų34.10%018%0.182CC..Hα-helixtrans-88.2-18174.761.50000114.5I2 N3 L4 P8 E828 N831I2-S6 WeakPolarHBondContact O-CB 3.36Å; I2-S6 PolarHBondContact O-N 3.23Å; I2-S6 PolarHBondContact O-OG 3.32Å; N3-S6 VanDerWaalsContact CA-OG 3.31Å; N3-S6 WeakPolarHBondContact CA-OG 3.38Å; N3-S6 PolarHBondContact O-OG 2.8Å; N3-S6 VanDerWaalsContact O-OG 3.14Å; L4-S6 PolarHBondContact O-N 3.47Å; S6-P8 WeakPolarHBondContact O-CD 3.45Å; S6-E828 WeakPolarHBondContact O-CG 3.19Å; S6-N831 VanDerWaalsContact O-CB 3.25Å; S6-N831 WeakPolarHBondContact O-CB 3.49Å; S6-N831 PolarHBondContact O-ND2 2.83Å; S6-N831 VanDerWaalsContact O-ND2 3.16Å
7D92.7Very high87.8Confident47 Ų4734.4 Ų34.425%0.25118%0.18SC..  trans-63.3122.9-178.6169.948000110.8N3 L4 D9 F10 V11N3-D7 PolarHBondContact O-N 3.01Å; L4-D7 WeakPolarHBondContact O-CB 3.13Å; L4-D7 PolarHBondContact O-N 2.7Å; D7-D9 VanDerWaalsContact C-N 3.28Å; D7-D9 PolarHBondContact O-N 3.48Å; D7-F10 HydrophobicContact CB-CB 4.1Å; D7-F10 WeakPolarHBondContact O-CB 3.04Å; D7-F10 PolarHBondContact O-N 2.99Å; D7-F10 VanDerWaalsContact O-N 3.11Å; D7-F10 PolarHBondContact OD2-N 3.27Å; D7-V11 WeakPolarHBondContact O-CG2 3.14Å; D7-V11 PolarHBondContact O-N 2.96Å
8P95Very high86.9Confident22 Ų2238.8 Ų38.814%0.14320%0.198CC..Hα-helixtrans-55.3-36.5179.6-29.837.3000114.4S6 V11 N12 Q826 E828S6-P8 WeakPolarHBondContact O-CD 3.45Å; P8-V11 PolarHBondContact O-N 3.26Å; P8-N12 VanDerWaalsContact O-CB 3.27Å; P8-N12 WeakPolarHBondContact O-CB 3.32Å; P8-N12 PolarHBondContact O-N 3Å; P8-N12 PolarHBondContact O-ND2 3.15Å; P8-Q826 WeakPolarHBondContact CG-O 3.17Å; P8-E828 HydrophobicContact CG-CB 4.24Å
9D92.4Very high86Confident8 Ų837.5 Ų37.54%0.04319%0.193CC..Hα-helixtrans-67.1-44.9176.8-179.172.5000110.9D7 V11 N12 R13 R781 K786 T789D7-D9 VanDerWaalsContact C-N 3.28Å; D7-D9 PolarHBondContact O-N 3.48Å; D9-V11 VanDerWaalsContact C-N 3.34Å; D9-V11 PolarHBondContact O-N 3.21Å; D9-N12 PolarHBondContact O-N 3.19Å; D9-R13 WeakPolarHBondContact O-CG 3.46Å; D9-R13 PolarHBondContact O-N 3.38Å; D9-R13 IonicContact OD2-CZ 2.94Å; D9-R13 IonicContact OD2-NH1 2.97Å; D9-R13 PolarHBondContact OD2-NH1 3.44Å; D9-R781 IonicContact OD1-NE 2.67Å; D9-R781 VanDerWaalsContact OD2-CD 3.26Å; D9-R781 WeakPolarHBondContact OD2-CD 3.49Å; D9-R781 IonicContact OD2-CZ 3.31Å; D9-R781 IonicContact OD2-NE 3.4Å; D9-R781 PolarHBondContact OD2-NE 3.03Å; D9-K786 HydrophobicContact CB-CD 4.41Å; D9-K786 HydrophobicContact CB-CG 4.17Å; D9-K786 WeakPolarHBondContact OD1-CA 3.37Å; D9-T789 PolarHBondContact OD1-OG1 2.95Å
10F90.2Very high84.8Confident7 Ų737.2 Ų37.23%0.03119%0.194CC..Hα-helixtrans-57.8-44.9173.3-176-86.7000112.6L4 L5 D7 R13 T14 Y760 L761 Y764L4-F10 HydrophobicContact CD1-CB 4.27Å; L4-F10 HydrophobicContact CD1-CD2 3.59Å; L4-F10 HydrophobicContact CD1-CE2 4.28Å; L4-F10 HydrophobicContact CD1-CG 4.09Å; L4-F10 HydrophobicContact CD2-CD2 4Å; L4-F10 HydrophobicContact CD2-CE2 3.84Å; L4-F10 HydrophobicContact CD2-CZ 4.39Å; L4-F10 HydrophobicContact CG-CD2 3.61Å; L4-F10 HydrophobicContact CG-CE2 3.97Å; L4-F10 HydrophobicContact CG-CG 3.98Å; L4-F10 WeakPolarHBondContact O-CB 3.46Å; L4-F10 WeakPolarHBondContact O-CD1 3.45Å; L4-F10 WeakPolarHBondContact O-CG 3.48Å; L5-F10 HydrophobicContact CD2-CD1 4.31Å; L5-F10 HydrophobicContact CD2-CE1 3.57Å; L5-F10 HydrophobicContact CD2-CZ 4.05Å; D7-F10 HydrophobicContact CB-CB 4.1Å; D7-F10 WeakPolarHBondContact O-CB 3.04Å; D7-F10 PolarHBondContact O-N 2.99Å; D7-F10 VanDerWaalsContact O-N 3.11Å; D7-F10 PolarHBondContact OD2-N 3.27Å; F10-R13 PolarHBondContact O-N 3.39Å; F10-T14 VanDerWaalsContact CE1-OG1 3.31Å; F10-T14 WeakPolarHBondContact CE1-OG1 3.49Å; F10-T14 WeakPolarHBondContact O-CB 3.45Å; F10-T14 PolarHBondContact O-N 3.42Å; F10-T14 PolarHBondContact O-OG1 3.03Å; F10-Y760 HydrophobicContact CZ-CE1 4.24Å; F10-L761 HydrophobicContact CZ-CD2 4.39Å; F10-Y764 HydrophobicContact CD2-CE1 4.19Å; F10-Y764 HydrophobicContact CD2-CE2 4.13Å; F10-Y764 AromaticContact CD2-CZ 3.86Å; F10-Y764 HydrophobicContact CE2-CD1 4.03Å; F10-Y764 HydrophobicContact CE2-CD2 4.06Å; F10-Y764 AromaticContact CE2-CE1 3.99Å; F10-Y764 HydrophobicContact CE2-CE1 3.99Å; F10-Y764 HydrophobicContact CE2-CE2 4.01Å; F10-Y764 HydrophobicContact CE2-CG 4.07Å; F10-Y764 AromaticContact CE2-CZ 3.95Å
11V92Very high83.5Confident21 Ų2141.4 Ų41.413%0.12722%0.217CC..Hα-helixtrans-60.5-49.3177172.40000110.6L5 D7 P8 D9 R13 T14 I15 L825L5-V11 WeakPolarHBondContact O-CG2 3.28Å; D7-V11 WeakPolarHBondContact O-CG2 3.14Å; D7-V11 PolarHBondContact O-N 2.96Å; P8-V11 PolarHBondContact O-N 3.26Å; D9-V11 VanDerWaalsContact C-N 3.34Å; D9-V11 PolarHBondContact O-N 3.21Å; V11-R13 VanDerWaalsContact C-N 3.34Å; V11-R13 PolarHBondContact O-N 2.87Å; V11-T14 WeakPolarHBondContact O-CB 3.15Å; V11-T14 PolarHBondContact O-N 3.15Å; V11-T14 VanDerWaalsContact O-N 3.08Å; V11-I15 HydrophobicContact CG1-CD1 3.84Å; V11-I15 WeakPolarHBondContact O-CG1 3.01Å; V11-I15 PolarHBondContact O-N 3.32Å; V11-L825 HydrophobicContact CG1-CB 4.27Å; V11-L825 HydrophobicContact CG1-CD2 3.96Å
12N92Very high82.3Confident1 Ų137.4 Ų37.41%0.00520%0.202CC..Hα-helixtrans-58.5-42.5178.7-72.7-29.2000112.5P8 D9 T14 I15 A16 T789 C793 Q826P8-N12 VanDerWaalsContact O-CB 3.27Å; P8-N12 WeakPolarHBondContact O-CB 3.32Å; P8-N12 PolarHBondContact O-N 3Å; P8-N12 PolarHBondContact O-ND2 3.15Å; D9-N12 PolarHBondContact O-N 3.19Å; N12-T14 VanDerWaalsContact C-N 3.34Å; N12-I15 PolarHBondContact O-N 2.83Å; N12-A16 WeakPolarHBondContact O-CB 3.1Å; N12-A16 PolarHBondContact O-N 3.35Å; N12-T789 HydrophobicContact CB-CG2 3.85Å; N12-C793 HydrophobicContact CB-CB 3.8Å; N12-C793 PolarHBondContact OD1-SG 3.31Å; N12-Q826 PolarHBondContact ND2-OE1 2.99Å; N12-Q826 PolarHBondContact OD1-NE2 3.32Å
13R87.7Confident80.7Confident12 Ų1237.3 Ų37.35%0.04521%0.208CC..Hα-helixtrans-64.9-40.3175.2-68.2-176.6-41.7-134.313.8112D9 F10 V11 I15 A16 W17 L634 Y764 T789D9-R13 WeakPolarHBondContact O-CG 3.46Å; D9-R13 PolarHBondContact O-N 3.38Å; D9-R13 IonicContact OD2-CZ 2.94Å; D9-R13 IonicContact OD2-NH1 2.97Å; D9-R13 PolarHBondContact OD2-NH1 3.44Å; F10-R13 PolarHBondContact O-N 3.39Å; V11-R13 VanDerWaalsContact C-N 3.34Å; V11-R13 PolarHBondContact O-N 2.87Å; R13-I15 VanDerWaalsContact C-N 3.34Å; R13-A16 PolarHBondContact O-N 2.88Å; R13-W17 VanDerWaalsContact O-CB 3.27Å; R13-W17 WeakPolarHBondContact O-CB 3.18Å; R13-W17 PolarHBondContact O-N 3.07Å; R13-L634 HydrophobicContact CG-CD1 4.17Å; R13-Y764 PolarHBondContact NH2-OH 3.36Å; R13-T789 HydrophobicContact CB-CG2 4.46Å; R13-T789 HydrophobicContact CG-CG2 3.57Å
14T85.1Confident79.5Confident25 Ų2535.2 Ų35.215%0.15319%0.192CC..Hα-helixtrans-64.4-43.4-179.9-58.60000110F10 V11 N12 W17 F18 Y760F10-T14 VanDerWaalsContact CE1-OG1 3.31Å; F10-T14 WeakPolarHBondContact CE1-OG1 3.49Å; F10-T14 WeakPolarHBondContact O-CB 3.45Å; F10-T14 PolarHBondContact O-N 3.42Å; F10-T14 PolarHBondContact O-OG1 3.03Å; V11-T14 WeakPolarHBondContact O-CB 3.15Å; V11-T14 PolarHBondContact O-N 3.15Å; V11-T14 VanDerWaalsContact O-N 3.08Å; N12-T14 VanDerWaalsContact C-N 3.34Å; T14-W17 WeakPolarHBondContact O-CB 3.27Å; T14-W17 PolarHBondContact O-N 2.87Å; T14-F18 HydrophobicContact CG2-CD2 3.67Å; T14-F18 HydrophobicContact CG2-CE2 3.54Å; T14-F18 WeakPolarHBondContact O-CD2 3.1Å; T14-F18 PolarHBondContact O-N 3.28Å; T14-Y760 PolarHBondContact OG1-OH 3.46Å
15I84.7Confident78.9Confident32 Ų3235.1 Ų35.116%0.16419%0.193CC..Hα-helixtrans-62.3-48.9173.9-67.2167000111V11 N12 R13 W17 F18 A19 V796 L797 L825V11-I15 HydrophobicContact CG1-CD1 3.84Å; V11-I15 WeakPolarHBondContact O-CG1 3.01Å; V11-I15 PolarHBondContact O-N 3.32Å; N12-I15 PolarHBondContact O-N 2.83Å; R13-I15 VanDerWaalsContact C-N 3.34Å; I15-W17 PolarHBondContact O-N 3.04Å; I15-F18 PolarHBondContact O-N 2.99Å; I15-A19 VanDerWaalsContact O-CB 3.29Å; I15-A19 WeakPolarHBondContact O-CB 3.16Å; I15-A19 PolarHBondContact O-N 3.05Å; I15-V796 HydrophobicContact CG2-CG2 4.08Å; I15-L797 HydrophobicContact CG2-CD2 3.88Å; I15-L797 HydrophobicContact CG2-CG 4.13Å; I15-L825 HydrophobicContact CD1-CD1 3.49Å; I15-L825 VanDerWaalsContact CD1-CD1 3.49Å
16A81.1Confident78.3Confident13 Ų1334.6 Ų34.611%0.10719%0.194CC..Hα-helixtrans-59.7-33.4177.400000113N12 R13 S20 L792N12-A16 WeakPolarHBondContact O-CB 3.1Å; N12-A16 PolarHBondContact O-N 3.35Å; R13-A16 PolarHBondContact O-N 2.88Å; A16-S20 WeakPolarHBondContact O-CB 3.36Å; A16-S20 PolarHBondContact O-N 3.19Å; A16-L792 HydrophobicContact CB-CD2 3.9Å; A16-L792 HydrophobicContact CB-CG 4.08Å
17W77.4Confident77.7Confident38 Ų3841.5 Ų41.514%0.14423%0.226CC..Hα-helixtrans-68.9-48.9174.7-178.884.4000111.7R13 T14 I15 S20 I641 Y760R13-W17 VanDerWaalsContact O-CB 3.27Å; R13-W17 WeakPolarHBondContact O-CB 3.18Å; R13-W17 PolarHBondContact O-N 3.07Å; T14-W17 WeakPolarHBondContact O-CB 3.27Å; T14-W17 PolarHBondContact O-N 2.87Å; I15-W17 PolarHBondContact O-N 3.04Å; W17-S20 WeakPolarHBondContact O-CB 3.3Å; W17-S20 PolarHBondContact O-N 3.07Å; W17-S20 PolarHBondContact O-OG 3.41Å; W17-I641 HydrophobicContact CZ2-CD1 4.24Å; W17-Y760 HydrophobicContact CD2-CD2 4.42Å; W17-Y760 HydrophobicContact CG-CE2 4.36Å; W17-Y760 HydrophobicContact CZ2-CG 4.49Å
18F71.2Confident77.3Confident115 Ų11541.6 Ų41.650%0.50422%0.223SC..Hα-helixtrans-66.1-37.2178.9-84.8-69.5000113.1T14 I15 S20 L757T14-F18 HydrophobicContact CG2-CD2 3.67Å; T14-F18 HydrophobicContact CG2-CE2 3.54Å; T14-F18 WeakPolarHBondContact O-CD2 3.1Å; T14-F18 PolarHBondContact O-N 3.28Å; I15-F18 PolarHBondContact O-N 2.99Å; F18-S20 VanDerWaalsContact C-N 3.32Å; F18-L757 HydrophobicContact CZ-CD1 4.17Å
19A68.5Low77Confident13 Ų1341.1 Ų41.111%0.10722%0.219CC..THydrogen-bonded Turntrans-91.211.2-179.100000113.1I15 D21 S22 V796I15-A19 VanDerWaalsContact O-CB 3.29Å; I15-A19 WeakPolarHBondContact O-CB 3.16Å; I15-A19 PolarHBondContact O-N 3.05Å; A19-D21 PolarHBondContact O-N 3.2Å; A19-S22 WeakPolarHBondContact CA-OG 3.22Å; A19-S22 PolarHBondContact O-N 3.43Å; A19-S22 VanDerWaalsContact O-O 3.06Å; A19-S22 PolarHBondContact O-OG 2.72Å; A19-V796 HydrophobicContact CB-CB 3.84Å; A19-V796 HydrophobicContact CB-CG2 3.99Å
20S63.5Low76.6Confident31 Ų3141.4 Ų41.422%0.21722%0.221CC..THydrogen-bonded Turntrans-64.6-27.4-177.456.90000113.6A16 W17 F18A16-S20 WeakPolarHBondContact O-CB 3.36Å; A16-S20 PolarHBondContact O-N 3.19Å; W17-S20 WeakPolarHBondContact O-CB 3.3Å; W17-S20 PolarHBondContact O-N 3.07Å; W17-S20 PolarHBondContact O-OG 3.41Å; F18-S20 VanDerWaalsContact C-N 3.32Å
21D57.8Low76.4Confident127 Ų12742.5 Ų42.568%0.67923%0.226SC*.THydrogen-bonded Turntrans-78.7-23174.7-70.5-32.6000112.5A19A19-D21 PolarHBondContact O-N 3.2Å
22S52.9Low76.3Confident45 Ų4541.5 Ų41.532%0.31522%0.22SC..SBendtrans-102.9110.6-173.953.40000112.4A19 Y24A19-S22 WeakPolarHBondContact CA-OG 3.22Å; A19-S22 PolarHBondContact O-N 3.43Å; A19-S22 VanDerWaalsContact O-O 3.06Å; A19-S22 PolarHBondContact O-OG 2.72Å; S22-Y24 PolarHBondContact O-N 2.79Å
23A54.6Low76.2Confident42 Ų4241.4 Ų41.435%0.34722%0.22SC..  trans55.650.614900000118.5T25 Y28 G799A23-T25 PolarHBondContact O-N 3.46Å; A23-Y28 HydrophobicContact CB-CE2 4.3Å; A23-Y28 WeakPolarHBondContact O-CD2 3.24Å; A23-G799 WeakPolarHBondContact CB-O 3.27Å
24Y63.6Low76.2Confident61 Ų6145.4 Ų45.424%0.23924%0.235CC..  trans-76.4100.7156.2-178.2-94.9000109.7S22 F29 M627 L792 T795S22-Y24 PolarHBondContact O-N 2.79Å; Y24-F29 HydrophobicContact CE2-CB 4.34Å; Y24-F29 HydrophobicContact CE2-CD2 4.4Å; Y24-M627 HydrophobicContact CE2-SD 3.99Å; Y24-L792 HydrophobicContact CD2-CD1 4.29Å; Y24-L792 HydrophobicContact CE2-CD1 4.3Å; Y24-T795 HydrophobicContact CD2-CG2 3.6Å; Y24-T795 HydrophobicContact CE2-CG2 3.72Å
25T73.9Confident76.3Confident29 Ų2944.8 Ų44.818%0.17823%0.231CC..  trans-109.7154.7170.175.80000110.7A23 E27 Y28 F29A23-T25 PolarHBondContact O-N 3.46Å; T25-E27 PolarHBondContact O-N 2.86Å; T25-E27 PolarHBondContact OG1-N 3.22Å; T25-Y28 HydrophobicContact CG2-CD2 3.9Å; T25-Y28 HydrophobicContact CG2-CE2 3.92Å; T25-Y28 PolarHBondContact O-N 3.02Å; T25-Y28 WeakPolarHBondContact OG1-CD2 3.35Å; T25-Y28 PolarHBondContact OG1-N 3Å; T25-F29 PolarHBondContact O-N 3.4Å; T25-F29 VanDerWaalsContact O-N 3.11Å
26S75.3Confident76.6Confident38 Ų3843.3 Ų43.327%0.26622%0.223SC..Hα-helixtrans-60.9-28.7173.751.10000112.4C30S26-C30 WeakPolarHBondContact O-CB 3.04Å; S26-C30 PolarHBondContact O-N 3.33Å; S26-C30 PolarHBondContact O-SG 3.5Å
27E80.7Confident77Confident145 Ų14548.6 Ų48.668%0.67825%0.246SC*.Hα-helixtrans-68.9-51.7178.3-177.9167.2-165.300111.2T25 F29 C30 Q31T25-E27 PolarHBondContact O-N 2.86Å; T25-E27 PolarHBondContact OG1-N 3.22Å; E27-F29 PolarHBondContact O-N 3.02Å; E27-C30 PolarHBondContact O-N 3.35Å; E27-C30 VanDerWaalsContact O-N 3.15Å; E27-Q31 VanDerWaalsContact O-CB 3.32Å; E27-Q31 WeakPolarHBondContact O-CB 3.44Å; E27-Q31 PolarHBondContact O-N 3.25Å
28Y84.1Confident77.7Confident49 Ų4948.1 Ų48.119%0.19225%0.248CC..Hα-helixtrans-61.3-33.3175.3-62.4-47.4000112.3A23 T25 Q31 A32 L798A23-Y28 HydrophobicContact CB-CE2 4.3Å; A23-Y28 WeakPolarHBondContact O-CD2 3.24Å; T25-Y28 HydrophobicContact CG2-CD2 3.9Å; T25-Y28 HydrophobicContact CG2-CE2 3.92Å; T25-Y28 PolarHBondContact O-N 3.02Å; T25-Y28 WeakPolarHBondContact OG1-CD2 3.35Å; T25-Y28 PolarHBondContact OG1-N 3Å; Y28-Q31 PolarHBondContact O-N 3.46Å; Y28-A32 WeakPolarHBondContact O-CB 3.38Å; Y28-A32 PolarHBondContact O-N 2.9Å; Y28-L798 HydrophobicContact CD1-CB 3.83Å; Y28-L798 HydrophobicContact CG-CB 4.12Å
29F87.3Confident78.8Confident11 Ų1145.3 Ų45.35%0.04824%0.238CC..Hα-helixtrans-65.5-48.9174.3176.9-110.6000111.8Y24 T25 E27 Q31 A32 L33 V45 V79 M627 V791 T795Y24-F29 HydrophobicContact CE2-CB 4.34Å; Y24-F29 HydrophobicContact CE2-CD2 4.4Å; T25-F29 PolarHBondContact O-N 3.4Å; T25-F29 VanDerWaalsContact O-N 3.11Å; E27-F29 PolarHBondContact O-N 3.02Å; F29-Q31 PolarHBondContact O-N 2.95Å; F29-A32 PolarHBondContact O-N 3.36Å; F29-L33 HydrophobicContact CD1-CD1 4.17Å; F29-L33 HydrophobicContact CE1-CD1 3.68Å; F29-L33 HydrophobicContact CE2-CD1 4.39Å; F29-L33 HydrophobicContact CZ-CD1 3.8Å; F29-L33 HydrophobicContact CZ-CG 4.37Å; F29-L33 WeakPolarHBondContact O-CG 3.43Å; F29-L33 PolarHBondContact O-N 2.62Å; F29-L33 VanDerWaalsContact O-N 3.12Å; F29-V45 HydrophobicContact CZ-CG1 4.48Å; F29-V79 HydrophobicContact CE1-CG1 3.88Å; F29-M627 HydrophobicContact CD2-CE 4.3Å; F29-M627 HydrophobicContact CD2-SD 3.89Å; F29-M627 HydrophobicContact CE2-CE 3.84Å; F29-M627 HydrophobicContact CE2-SD 3.55Å; F29-M627 VanDerWaalsContact CE2-SD 3.55Å; F29-M627 HydrophobicContact CZ-SD 4.37Å; F29-V791 HydrophobicContact CD2-CG1 4.07Å; F29-V791 HydrophobicContact CE2-CG1 3.62Å; F29-T795 HydrophobicContact CB-CG2 3.95Å
30C85.9Confident80.1Confident15 Ų1549.3 Ų49.310%0.10125%0.254CS..Hα-helixtrans-59-38.1174.5-69.80000111.3S26 E27 L33 R34 I82S26-C30 WeakPolarHBondContact O-CB 3.04Å; S26-C30 PolarHBondContact O-N 3.33Å; S26-C30 PolarHBondContact O-SG 3.5Å; E27-C30 PolarHBondContact O-N 3.35Å; E27-C30 VanDerWaalsContact O-N 3.15Å; C30-L33 WeakPolarHBondContact O-CB 3.27Å; C30-L33 PolarHBondContact O-N 2.76Å; C30-R34 WeakPolarHBondContact O-CG 3.07Å; C30-R34 PolarHBondContact O-N 2.64Å; C30-I82 HydrophobicContact CB-CD1 3.85Å
31Q85.6Confident81.5Confident29 Ų2947.9 Ų47.914%0.13624%0.244CC..Hα-helixtrans-68.9-43.1179.7-168.350.642.500112.4E27 Y28 F29 L33 R34 M35 L798 R815E27-Q31 VanDerWaalsContact O-CB 3.32Å; E27-Q31 WeakPolarHBondContact O-CB 3.44Å; E27-Q31 PolarHBondContact O-N 3.25Å; Y28-Q31 PolarHBondContact O-N 3.46Å; F29-Q31 PolarHBondContact O-N 2.95Å; Q31-L33 PolarHBondContact O-N 3.03Å; Q31-R34 WeakPolarHBondContact O-CB 3.49Å; Q31-R34 PolarHBondContact O-N 3.27Å; Q31-R34 VanDerWaalsContact O-N 3.09Å; Q31-M35 HydrophobicContact CG-SD 4.16Å; Q31-M35 VanDerWaalsContact O-CG 3.32Å; Q31-M35 WeakPolarHBondContact O-CG 3.35Å; Q31-M35 PolarHBondContact O-N 3.05Å; Q31-L798 HydrophobicContact CB-CD1 4.02Å; Q31-L798 HydrophobicContact CG-CD1 3.99Å; Q31-R815 HydrophobicContact CG-CG 4.32Å
32A88.6Confident83.3Confident0 Ų041.8 Ų41.80%021%0.211CC..Hα-helixtrans-58.4-36.4173.100000112.1Y28 F29 M35 S36 R794 T795 L798Y28-A32 WeakPolarHBondContact O-CB 3.38Å; Y28-A32 PolarHBondContact O-N 2.9Å; F29-A32 PolarHBondContact O-N 3.36Å; A32-M35 PolarHBondContact O-N 3.17Å; A32-S36 PolarHBondContact O-N 2.88Å; A32-S36 VanDerWaalsContact O-N 3.17Å; A32-R794 HydrophobicContact CB-CB 3.86Å; A32-T795 WeakPolarHBondContact CB-OG1 3.02Å; A32-L798 HydrophobicContact CB-CD1 4.09Å
33L90Very high85.4Confident0 Ų042 Ų420%021%0.209CC..Hα-helixtrans-68.3-42.4174.1-66.1171000112F29 C30 Q31 M35 S36 I42 V45 V79 I82 V791F29-L33 HydrophobicContact CD1-CD1 4.17Å; F29-L33 HydrophobicContact CE1-CD1 3.68Å; F29-L33 HydrophobicContact CE2-CD1 4.39Å; F29-L33 HydrophobicContact CZ-CD1 3.8Å; F29-L33 HydrophobicContact CZ-CG 4.37Å; F29-L33 WeakPolarHBondContact O-CG 3.43Å; F29-L33 PolarHBondContact O-N 2.62Å; F29-L33 VanDerWaalsContact O-N 3.12Å; C30-L33 WeakPolarHBondContact O-CB 3.27Å; C30-L33 PolarHBondContact O-N 2.76Å; Q31-L33 PolarHBondContact O-N 3.03Å; L33-M35 PolarHBondContact O-N 3.38Å; L33-S36 WeakPolarHBondContact O-CB 3.42Å; L33-S36 PolarHBondContact O-N 3.03Å; L33-I42 HydrophobicContact CD2-CD1 4.23Å; L33-V45 HydrophobicContact CD1-CG1 4.37Å; L33-V45 HydrophobicContact CD2-CB 4.25Å; L33-V45 HydrophobicContact CD2-CG1 3.96Å; L33-V45 HydrophobicContact CD2-CG2 3.9Å; L33-V79 HydrophobicContact CD1-CG1 3.65Å; L33-I82 HydrophobicContact CB-CG2 4.32Å; L33-V791 HydrophobicContact CD2-CG1 3.89Å; L33-V791 HydrophobicContact CD2-CG2 4.46Å; L33-V791 HydrophobicContact CG-CG1 4.46Å
34R88.3Confident87.3Confident96 Ų9640.3 Ų40.336%0.36219%0.194SC..Hα-helixtrans-61.7-33.6175.3-70.4173.6-171.6-86.31112.4C30 Q31 I82 R86C30-R34 WeakPolarHBondContact O-CG 3.07Å; C30-R34 PolarHBondContact O-N 2.64Å; Q31-R34 WeakPolarHBondContact O-CB 3.49Å; Q31-R34 PolarHBondContact O-N 3.27Å; Q31-R34 VanDerWaalsContact O-N 3.09Å; R34-I82 HydrophobicContact CG-CG2 3.75Å; R34-R86 VanDerWaalsContact O-CD 3.26Å; R34-R86 WeakPolarHBondContact O-CD 3.31Å; R34-R86 PolarHBondContact O-NE 3.38Å
35M87.8Confident88.7Confident12 Ų1238 Ų386%0.05919%0.186CC..THydrogen-bonded Turntrans-83.2-11.1178.9-66.3171.465.600113.7Q31 A32 L33 E37 L798 R815Q31-M35 HydrophobicContact CG-SD 4.16Å; Q31-M35 VanDerWaalsContact O-CG 3.32Å; Q31-M35 WeakPolarHBondContact O-CG 3.35Å; Q31-M35 PolarHBondContact O-N 3.05Å; A32-M35 PolarHBondContact O-N 3.17Å; L33-M35 PolarHBondContact O-N 3.38Å; M35-E37 PolarHBondContact O-N 3.15Å; M35-L798 HydrophobicContact CE-CD2 4.46Å; M35-L798 HydrophobicContact SD-CD1 3.94Å; M35-L798 HydrophobicContact SD-CD2 3.96Å; M35-L798 HydrophobicContact SD-CG 4.46Å; M35-R815 HydrophobicContact CE-CB 3.85Å; M35-R815 HydrophobicContact CE-CG 4.4Å; M35-R815 WeakPolarHBondContact CE-O 3.45Å; M35-R815 HydrophobicContact SD-CB 3.88Å; M35-R815 HydrophobicContact SD-CG 3.77Å
36S90.7Very high89.6Confident0 Ų037.2 Ų37.20%018%0.181CC..  trans-63.1134.2-178.2-165.50000110.9A32 L33 E41 R86 I90A32-S36 PolarHBondContact O-N 2.88Å; A32-S36 VanDerWaalsContact O-N 3.17Å; L33-S36 WeakPolarHBondContact O-CB 3.42Å; L33-S36 PolarHBondContact O-N 3.03Å; S36-E41 WeakPolarHBondContact CB-OE1 3.36Å; S36-E41 PolarHBondContact OG-OE1 3.24Å; S36-R86 PolarHBondContact O-NE 3.2Å; S36-R86 PolarHBondContact O-NH2 3.46Å; S36-I90 WeakPolarHBondContact O-CD1 3.39Å
37E88.8Confident90.5Very high125 Ų12541.1 Ų41.158%0.58419%0.19SC*.  trans-102.5-1.3175.2-63.1175.6-173.400111.9M35M35-E37 PolarHBondContact O-N 3.15Å
38S92.1Very high90.9Very high27 Ų2735.9 Ų35.919%0.18917%0.165CC..  trans-104.5114.7-175.3176.10000111E40 E41 I42S38-E40 VanDerWaalsContact C-N 3.25Å; S38-E40 PolarHBondContact O-N 3.2Å; S38-E41 WeakPolarHBondContact O-CB 3.37Å; S38-E41 PolarHBondContact O-N 3.12Å; S38-E41 PolarHBondContact OG-N 3.03Å; S38-I42 WeakPolarHBondContact O-CG1 3.15Å; S38-I42 PolarHBondContact O-N 2.88Å; S38-I42 VanDerWaalsContact O-N 3.15Å
39I94.4Very high91.2Very high57 Ų5733.9 Ų33.929%0.29216%0.158SC..Hα-helixtrans-57.9-42.2172.8-65.3171.8000110.5E41 I42 D43 R87 I90 Q91I39-E41 VanDerWaalsContact C-N 3.31Å; I39-E41 PolarHBondContact O-N 3.5Å; I39-I42 PolarHBondContact O-N 3.09Å; I39-D43 WeakPolarHBondContact CG2-OD2 3.43Å; I39-D43 WeakPolarHBondContact O-CB 3.4Å; I39-D43 PolarHBondContact O-N 2.91Å; I39-R87 HydrophobicContact CG2-CG 4.2Å; I39-I90 HydrophobicContact CD1-CG2 3.94Å; I39-I90 HydrophobicContact CG1-CB 4.06Å; I39-I90 HydrophobicContact CG1-CD1 4.43Å; I39-I90 HydrophobicContact CG1-CG2 3.62Å; I39-Q91 HydrophobicContact CD1-CG 3.8Å
40E95.5Very high91.4Very high97 Ų9735.9 Ų35.945%0.45317%0.169SC..Hα-helixtrans-60.8-41-179.7-54.8-175.1148.600112.1S38 D43 V44 K783 L787S38-E40 VanDerWaalsContact C-N 3.25Å; S38-E40 PolarHBondContact O-N 3.2Å; E40-D43 PolarHBondContact O-N 3.11Å; E40-V44 WeakPolarHBondContact O-CG2 3.48Å; E40-V44 PolarHBondContact O-N 3.36Å; E40-K783 IonicContact OE1-NZ 2.77Å; E40-K783 PolarHBondContact OE1-NZ 3.49Å; E40-K783 WeakPolarHBondContact OE2-CE 3.28Å; E40-K783 IonicContact OE2-NZ 3.18Å; E40-K783 PolarHBondContact OE2-NZ 2.92Å; E40-L787 HydrophobicContact CB-CD1 3.96Å; E40-L787 HydrophobicContact CB-CD2 4.5Å
41E93.9Very high91.5Very high0 Ų037.4 Ų37.40%018%0.18CC..Hα-helixtrans-63.4-45.1176.9-168.9-177114.200111.4S36 S38 I39 V44 V45 L787 R790 V791 R794S36-E41 WeakPolarHBondContact CB-OE1 3.36Å; S36-E41 PolarHBondContact OG-OE1 3.24Å; S38-E41 WeakPolarHBondContact O-CB 3.37Å; S38-E41 PolarHBondContact O-N 3.12Å; S38-E41 PolarHBondContact OG-N 3.03Å; I39-E41 VanDerWaalsContact C-N 3.31Å; I39-E41 PolarHBondContact O-N 3.5Å; E41-V44 PolarHBondContact O-N 2.75Å; E41-V45 WeakPolarHBondContact O-CG2 3.37Å; E41-V45 PolarHBondContact O-N 2.86Å; E41-L787 HydrophobicContact CB-CD2 4.09Å; E41-R790 IonicContact OE2-NE 3.64Å; E41-R790 PolarHBondContact OE2-NE 2.9Å; E41-V791 HydrophobicContact CG-CG2 3.39Å; E41-V791 WeakPolarHBondContact OE1-CG2 3.04Å; E41-R794 IonicContact OE1-CZ 3.81Å; E41-R794 IonicContact OE1-NH1 2.98Å; E41-R794 PolarHBondContact OE1-NH1 3.48Å; E41-R794 IonicContact OE1-NH2 3.47Å; E41-R794 PolarHBondContact OE1-NH2 3.4Å; E41-R794 IonicContact OE2-CZ 2.99Å; E41-R794 VanDerWaalsContact OE2-CZ 3.3Å; E41-R794 IonicContact OE2-NH1 3.99Å; E41-R794 PolarHBondContact OE2-NH1 2.74Å; E41-R794 IonicContact OE2-NH2 2.72Å; E41-R794 PolarHBondContact OE2-NH2 2.82Å
42I95.5Very high91.5Very high0 Ų037.6 Ų37.60%018%0.18CC..Hα-helixtrans-64.1-44.1176.4-65.9-61.6000111.5L33 S38 I39 V44 V45 I46 C83 R86 R87 I90L33-I42 HydrophobicContact CD2-CD1 4.23Å; S38-I42 WeakPolarHBondContact O-CG1 3.15Å; S38-I42 PolarHBondContact O-N 2.88Å; S38-I42 VanDerWaalsContact O-N 3.15Å; I39-I42 PolarHBondContact O-N 3.09Å; I42-V44 VanDerWaalsContact C-N 3.33Å; I42-V44 PolarHBondContact O-N 3.33Å; I42-V45 PolarHBondContact O-N 3.03Å; I42-I46 HydrophobicContact CG2-CD1 3.81Å; I42-I46 HydrophobicContact CG2-CG1 4.37Å; I42-I46 WeakPolarHBondContact O-CG1 3.14Å; I42-I46 PolarHBondContact O-N 3.33Å; I42-C83 HydrophobicContact CG2-CB 3.84Å; I42-C83 VanDerWaalsContact CG2-O 3.31Å; I42-C83 WeakPolarHBondContact CG2-O 3.42Å; I42-R86 HydrophobicContact CD1-CG 4.36Å; I42-R87 HydrophobicContact CG2-CB 3.93Å; I42-I90 HydrophobicContact CG1-CD1 4.49Å
43D96.5Very high91.4Very high50 Ų5037.8 Ų37.827%0.26718%0.181SC..Hα-helixtrans-65.7-35.6-179.6-78.6-29.5000112.4I39 E40 I46 R47 R87I39-D43 WeakPolarHBondContact CG2-OD2 3.43Å; I39-D43 WeakPolarHBondContact O-CB 3.4Å; I39-D43 PolarHBondContact O-N 2.91Å; E40-D43 PolarHBondContact O-N 3.11Å; D43-I46 PolarHBondContact O-N 3.41Å; D43-R47 WeakPolarHBondContact O-CB 3.47Å; D43-R47 PolarHBondContact O-N 2.99Å; D43-R87 WeakPolarHBondContact OD1-CD 3.45Å; D43-R87 IonicContact OD1-CZ 3.82Å; D43-R87 IonicContact OD1-NE 3.87Å; D43-R87 IonicContact OD1-NH1 2.58Å; D43-R87 PolarHBondContact OD1-NH1 3.5Å
44V94.4Very high91.3Very high5 Ų542.1 Ų42.13%0.0321%0.205CC..Hα-helixtrans-60.2-46.6171.3159.40000111.1E40 E41 I42 R47 Q48 E784 L787 R788E40-V44 WeakPolarHBondContact O-CG2 3.48Å; E40-V44 PolarHBondContact O-N 3.36Å; E41-V44 PolarHBondContact O-N 2.75Å; I42-V44 VanDerWaalsContact C-N 3.33Å; I42-V44 PolarHBondContact O-N 3.33Å; V44-R47 PolarHBondContact O-N 3.45Å; V44-Q48 PolarHBondContact O-N 2.83Å; V44-E784 HydrophobicContact CB-CG 4.47Å; V44-E784 HydrophobicContact CG1-CG 3.67Å; V44-E784 HydrophobicContact CG2-CB 4.21Å; V44-E784 HydrophobicContact CG2-CG 4Å; V44-L787 HydrophobicContact CB-CB 4.49Å; V44-L787 HydrophobicContact CG1-CB 4.47Å; V44-L787 HydrophobicContact CG2-CB 4.27Å; V44-L787 HydrophobicContact CG2-CD1 3.67Å; V44-R788 HydrophobicContact CG1-CG 3.52Å
45V93.2Very high91.2Very high12 Ų1243.3 Ų43.37%0.07321%0.212CC..Hα-helixtrans-63.9-43.6178.4175.70000110.7F29 L33 E41 I42 R47 Q48 L49 V791F29-V45 HydrophobicContact CZ-CG1 4.48Å; L33-V45 HydrophobicContact CD1-CG1 4.37Å; L33-V45 HydrophobicContact CD2-CB 4.25Å; L33-V45 HydrophobicContact CD2-CG1 3.96Å; L33-V45 HydrophobicContact CD2-CG2 3.9Å; E41-V45 WeakPolarHBondContact O-CG2 3.37Å; E41-V45 PolarHBondContact O-N 2.86Å; I42-V45 PolarHBondContact O-N 3.03Å; V45-R47 VanDerWaalsContact C-N 3.34Å; V45-R47 PolarHBondContact O-N 3.04Å; V45-Q48 PolarHBondContact O-N 2.94Å; V45-L49 HydrophobicContact CG1-CD1 3.93Å; V45-L49 HydrophobicContact CG1-CG 4.26Å; V45-L49 WeakPolarHBondContact O-CB 3.46Å; V45-L49 VanDerWaalsContact O-CG 3.27Å; V45-L49 WeakPolarHBondContact O-CG 3.46Å; V45-L49 PolarHBondContact O-N 2.95Å; V45-V791 HydrophobicContact CG2-CG2 4.01Å
46I93.9Very high90.9Very high14 Ų1443.8 Ų43.87%0.07222%0.215CC..Hα-helixtrans-58.5-45.8176-69.7168.2000111I42 D43 Q48 L49 N50 C83 L84I42-I46 HydrophobicContact CG2-CD1 3.81Å; I42-I46 HydrophobicContact CG2-CG1 4.37Å; I42-I46 WeakPolarHBondContact O-CG1 3.14Å; I42-I46 PolarHBondContact O-N 3.33Å; D43-I46 PolarHBondContact O-N 3.41Å; I46-Q48 VanDerWaalsContact C-N 3.31Å; I46-Q48 PolarHBondContact O-N 3.19Å; I46-L49 PolarHBondContact O-N 3.36Å; I46-N50 WeakPolarHBondContact O-CB 3.41Å; I46-N50 PolarHBondContact O-N 2.94Å; I46-N50 PolarHBondContact O-ND2 3.4Å; I46-N50 PolarHBondContact O-OD1 2.81Å; I46-C83 HydrophobicContact CD1-CB 3.83Å; I46-C83 HydrophobicContact CG1-CB 3.49Å; I46-C83 VanDerWaalsContact CG1-CB 3.49Å; I46-L84 HydrophobicContact CD1-CD2 3.99Å; I46-L84 HydrophobicContact CD1-CG 4.45Å
47R92.9Very high90.6Very high120 Ų12049.8 Ų49.845%0.45324%0.238SC..Hα-helixtrans-60.5-43.5179.3-165.5-173.3-47.5115.412.6111.5D43 V44 V45 N50 S51 E784D43-R47 WeakPolarHBondContact O-CB 3.47Å; D43-R47 PolarHBondContact O-N 2.99Å; V44-R47 PolarHBondContact O-N 3.45Å; V45-R47 VanDerWaalsContact C-N 3.34Å; V45-R47 PolarHBondContact O-N 3.04Å; R47-N50 PolarHBondContact O-N 3.28Å; R47-S51 PolarHBondContact O-N 3.5Å; R47-E784 IonicContact CZ-OE2 3.22Å; R47-E784 IonicContact NH1-OE1 3.86Å; R47-E784 PolarHBondContact NH1-OE1 3.28Å; R47-E784 VanDerWaalsContact NH1-OE1 3.12Å; R47-E784 IonicContact NH1-OE2 2.99Å; R47-E784 PolarHBondContact NH1-OE2 2.81Å
48Q89.6Confident90.3Very high34 Ų3447.1 Ų47.116%0.15924%0.244CC..Hα-helixtrans-64.4-47176.9-165.368.2-1000111.3V44 V45 I46 N50 S51 F52 A626 S629V44-Q48 PolarHBondContact O-N 2.83Å; V45-Q48 PolarHBondContact O-N 2.94Å; I46-Q48 VanDerWaalsContact C-N 3.31Å; I46-Q48 PolarHBondContact O-N 3.19Å; Q48-N50 VanDerWaalsContact C-N 3.31Å; Q48-N50 PolarHBondContact O-N 2.91Å; Q48-S51 WeakPolarHBondContact O-CB 3.47Å; Q48-S51 PolarHBondContact O-N 3.27Å; Q48-F52 HydrophobicContact CG-CD2 4.04Å; Q48-F52 HydrophobicContact CG-CE2 3.89Å; Q48-F52 VanDerWaalsContact O-CD2 3.23Å; Q48-F52 WeakPolarHBondContact O-CD2 2.95Å; Q48-F52 PolarHBondContact O-N 3.06Å; Q48-A626 PolarHBondContact NE2-O 3.39Å; Q48-S629 PolarHBondContact NE2-OG 2.78Å
49L90Very high89.6Confident7 Ų752.1 Ų52.14%0.03726%0.264CS..Hα-helixtrans-57-45175.5-70.6170.6000111.4V45 I46 F52 M53 L76 V79 R80V45-L49 HydrophobicContact CG1-CD1 3.93Å; V45-L49 HydrophobicContact CG1-CG 4.26Å; V45-L49 WeakPolarHBondContact O-CB 3.46Å; V45-L49 VanDerWaalsContact O-CG 3.27Å; V45-L49 WeakPolarHBondContact O-CG 3.46Å; V45-L49 PolarHBondContact O-N 2.95Å; I46-L49 PolarHBondContact O-N 3.36Å; L49-F52 PolarHBondContact O-N 3.46Å; L49-M53 WeakPolarHBondContact O-CB 3.3Å; L49-M53 VanDerWaalsContact O-CG 3.23Å; L49-M53 WeakPolarHBondContact O-CG 3.47Å; L49-M53 PolarHBondContact O-N 3.44Å; L49-L76 HydrophobicContact CD2-CD2 3.51Å; L49-V79 HydrophobicContact CD1-CB 4.22Å; L49-V79 HydrophobicContact CD1-CG1 3.77Å; L49-V79 HydrophobicContact CD2-CB 4.49Å; L49-V79 HydrophobicContact CD2-CG1 4.32Å; L49-R80 HydrophobicContact CD1-CB 4.27Å
50N91.9Very high88.7Confident53 Ų5351.9 Ų51.928%0.28326%0.263SS..Hα-helixtrans-60.2-48.9177.1-65.9-9.5000111.6I46 R47 Q48 F52 M53 D54 R80I46-N50 WeakPolarHBondContact O-CB 3.41Å; I46-N50 PolarHBondContact O-N 2.94Å; I46-N50 PolarHBondContact O-ND2 3.4Å; I46-N50 PolarHBondContact O-OD1 2.81Å; R47-N50 PolarHBondContact O-N 3.28Å; Q48-N50 VanDerWaalsContact C-N 3.31Å; Q48-N50 PolarHBondContact O-N 2.91Å; N50-F52 VanDerWaalsContact C-N 3.27Å; N50-F52 PolarHBondContact O-N 3.3Å; N50-M53 PolarHBondContact O-N 3.32Å; N50-M53 VanDerWaalsContact O-N 3.13Å; N50-D54 WeakPolarHBondContact O-CB 3.48Å; N50-D54 PolarHBondContact O-N 3.25Å; N50-R80 PolarHBondContact OD1-NE 3.06Å; N50-R80 PolarHBondContact OD1-NH2 3.37Å
51S88Confident87.8Confident48 Ų4853 Ų5334%0.33628%0.277SS..Hα-helixtrans-55.3-41.7176.9-178.70000112.4R47 Q48 K55R47-S51 PolarHBondContact O-N 3.5Å; Q48-S51 WeakPolarHBondContact O-CB 3.47Å; Q48-S51 PolarHBondContact O-N 3.27Å; S51-K55 WeakPolarHBondContact O-CG 3.18Å; S51-K55 PolarHBondContact O-N 3.18Å
52F84.4Confident86.7Confident32 Ų3255.5 Ų55.514%0.1430%0.303CS..Hα-helixtrans-72-40.5175.8-82.7-76.2000113.6Q48 L49 N50 D54 K55 L56 A626Q48-F52 HydrophobicContact CG-CD2 4.04Å; Q48-F52 HydrophobicContact CG-CE2 3.89Å; Q48-F52 VanDerWaalsContact O-CD2 3.23Å; Q48-F52 WeakPolarHBondContact O-CD2 2.95Å; Q48-F52 PolarHBondContact O-N 3.06Å; L49-F52 PolarHBondContact O-N 3.46Å; N50-F52 VanDerWaalsContact C-N 3.27Å; N50-F52 PolarHBondContact O-N 3.3Å; F52-D54 VanDerWaalsContact C-N 3.29Å; F52-D54 PolarHBondContact O-N 3.41Å; F52-K55 PolarHBondContact O-N 3.43Å; F52-L56 WeakPolarHBondContact O-CG 3.27Å; F52-L56 PolarHBondContact O-N 3.2Å; F52-A626 HydrophobicContact CB-CB 4.36Å; F52-A626 HydrophobicContact CD1-CB 3.98Å; F52-A626 HydrophobicContact CD2-CB 3.25Å; F52-A626 HydrophobicContact CE1-CB 4.11Å; F52-A626 HydrophobicContact CE2-CB 3.42Å; F52-A626 VanDerWaalsContact CE2-CB 3.42Å; F52-A626 VanDerWaalsContact CE2-O 3.31Å; F52-A626 WeakPolarHBondContact CE2-O 3.48Å; F52-A626 HydrophobicContact CG-CB 3.58Å; F52-A626 HydrophobicContact CZ-CB 3.88Å
53M87.2Confident85.7Confident4 Ų456.8 Ų56.82%0.0232%0.316CS..Hα-helixtrans-63.2-38176.8-72.5-177.972.800111.4L49 N50 L56 R57 L73 L76 D77 R80L49-M53 WeakPolarHBondContact O-CB 3.3Å; L49-M53 VanDerWaalsContact O-CG 3.23Å; L49-M53 WeakPolarHBondContact O-CG 3.47Å; L49-M53 PolarHBondContact O-N 3.44Å; N50-M53 PolarHBondContact O-N 3.32Å; N50-M53 VanDerWaalsContact O-N 3.13Å; M53-L56 PolarHBondContact O-N 3.36Å; M53-R57 WeakPolarHBondContact O-CB 3.42Å; M53-R57 WeakPolarHBondContact O-CD 3.46Å; M53-R57 WeakPolarHBondContact O-CG 3.33Å; M53-R57 PolarHBondContact O-N 3Å; M53-L73 HydrophobicContact CB-CD2 4.08Å; M53-L73 HydrophobicContact CE-CD2 4.17Å; M53-L73 HydrophobicContact CG-CD2 4.1Å; M53-L76 HydrophobicContact CG-CB 3.71Å; M53-L76 HydrophobicContact CG-CD1 3.72Å; M53-L76 HydrophobicContact CG-CG 4.32Å; M53-L76 HydrophobicContact SD-CB 3.75Å; M53-D77 HydrophobicContact CE-CB 4.1Å; M53-R80 VanDerWaalsContact CE-NH1 3.3Å; M53-R80 PolarHBondContact SD-NH1 3.26Å; M53-R80 VanDerWaalsContact SD-NH1 3.45Å; M53-R80 PolarHBondContact SD-NH2 3.13Å
54D88.3Confident84.3Confident92 Ų9261.9 Ų61.949%0.49234%0.343SS..Hα-helixtrans-68.6-38.7177.6-64.4-23.8000111.5N50 F52 R57 G58N50-D54 WeakPolarHBondContact O-CB 3.48Å; N50-D54 PolarHBondContact O-N 3.25Å; F52-D54 VanDerWaalsContact C-N 3.29Å; F52-D54 PolarHBondContact O-N 3.41Å; D54-R57 PolarHBondContact O-N 3.24Å; D54-R57 IonicContact OD1-NH1 3.73Å; D54-R57 PolarHBondContact OD1-NH1 2.98Å; D54-G58 PolarHBondContact O-N 3.23Å
55K85.4Confident82.9Confident120 Ų12069.3 Ų69.352%0.52238%0.383SS..Hα-helixtrans-60.5-46170.4-71.7173-173.51770112.1S51 F52 G58 H59S51-K55 WeakPolarHBondContact O-CG 3.18Å; S51-K55 PolarHBondContact O-N 3.18Å; F52-K55 PolarHBondContact O-N 3.43Å; K55-G58 PolarHBondContact O-N 3.28Å; K55-H59 PolarHBondContact O-CD2 3.24Å
56L81.9Confident81.9Confident22 Ų2269.6 Ų69.612%0.11538%0.384CS..Hα-helixtrans-66.6-39.4179-75.8171.5000112.5F52 M53 G58 H59 D60 I69 Q72 L73 L76 T622F52-L56 WeakPolarHBondContact O-CG 3.27Å; F52-L56 PolarHBondContact O-N 3.2Å; M53-L56 PolarHBondContact O-N 3.36Å; L56-G58 VanDerWaalsContact C-N 3.28Å; L56-G58 PolarHBondContact O-N 3.02Å; L56-H59 CarbonylContact O-C 3.44Å; L56-H59 WeakPolarHBondContact O-CA 3.48Å; L56-H59 WeakPolarHBondContact O-CB 3.22Å; L56-H59 PolarHBondContact O-N 3.39Å; L56-D60 PolarHBondContact O-N 2.77Å; L56-D60 VanDerWaalsContact O-N 3.14Å; L56-I69 HydrophobicContact CB-CG2 4.4Å; L56-Q72 HydrophobicContact CD1-CB 4.21Å; L56-L73 HydrophobicContact CB-CD2 3.84Å; L56-L73 HydrophobicContact CB-CG 4.31Å; L56-L73 HydrophobicContact CD1-CD2 4.26Å; L56-L76 HydrophobicContact CD1-CD1 3.45Å; L56-L76 VanDerWaalsContact CD1-CD1 3.45Å; L56-T622 HydrophobicContact CD1-CG2 4.04Å; L56-T622 HydrophobicContact CD2-CG2 4.37Å
57R85.2Confident81.2Confident126 Ų12672 Ų7248%0.47541%0.406SS..Hα-helixtrans-62.7-34.8174.2-75.8166.1174.8175.9-9.3112.2M53 D54 H59 D60 L73M53-R57 WeakPolarHBondContact O-CB 3.42Å; M53-R57 WeakPolarHBondContact O-CD 3.46Å; M53-R57 WeakPolarHBondContact O-CG 3.33Å; M53-R57 PolarHBondContact O-N 3Å; D54-R57 PolarHBondContact O-N 3.24Å; D54-R57 IonicContact OD1-NH1 3.73Å; D54-R57 PolarHBondContact OD1-NH1 2.98Å; R57-H59 PolarHBondContact O-N 3.46Å; R57-D60 PolarHBondContact O-N 2.9Å; R57-L73 HydrophobicContact CG-CD1 4.14Å; R57-L73 HydrophobicContact CG-CD2 4.14Å
58G82.6Confident80.5Confident69 Ų6972 Ų7271%0.71141%0.414SS*.THydrogen-bonded Turntrans-62.9-18.3171.600000114.1D54 K55 L56D54-G58 PolarHBondContact O-N 3.23Å; K55-G58 PolarHBondContact O-N 3.28Å; L56-G58 VanDerWaalsContact C-N 3.28Å; L56-G58 PolarHBondContact O-N 3.02Å
59H77.9Confident79.9Confident133 Ų13371.6 Ų71.662%0.61641%0.413SS*.THydrogen-bonded Turntrans-100.1-11.5175.2-67.5-64.7000113.9K55 L56 R57 T61 I69K55-H59 PolarHBondContact O-CD2 3.24Å; L56-H59 CarbonylContact O-C 3.44Å; L56-H59 WeakPolarHBondContact O-CA 3.48Å; L56-H59 WeakPolarHBondContact O-CB 3.22Å; L56-H59 PolarHBondContact O-N 3.39Å; R57-H59 PolarHBondContact O-N 3.46Å; H59-T61 PolarHBondContact O-N 3.44Å; H59-I69 HydrophobicContact CB-CD1 4.07Å; H59-I69 WeakPolarHBondContact O-CD1 3.5Å
60D74.4Confident79.5Confident52 Ų5275.6 Ų75.628%0.27843%0.43SS..  trans-76.5108.3177.7-171.40.8000108.9L56 R57 G62 I69L56-D60 PolarHBondContact O-N 2.77Å; L56-D60 VanDerWaalsContact O-N 3.14Å; R57-D60 PolarHBondContact O-N 2.9Å; D60-G62 PolarHBondContact O-N 3.27Å; D60-G62 WeakPolarHBondContact OD1-CA 3.45Å; D60-G62 PolarHBondContact OD1-N 3.19Å; D60-I69 HydrophobicContact CB-CG2 4.14Å
61T76.7Confident78.9Confident120 Ų12076 Ų7674%0.73644%0.441SS*.  trans-78.9-5.817665.60000112.2H59 G63 D66H59-T61 PolarHBondContact O-N 3.44Å; T61-G63 PolarHBondContact O-N 3.45Å; T61-D66 WeakPolarHBondContact CA-OD2 3.42Å; T61-D66 WeakPolarHBondContact CB-OD2 3.34Å; T61-D66 PolarHBondContact N-OD2 3.5Å; T61-D66 PolarHBondContact OG1-OD2 3.07Å
62G70.2Confident78.5Confident53 Ų5375 Ų7555%0.54643%0.431SS..SBendtrans80.80.5-175.100000113.7D60 D66D60-G62 PolarHBondContact O-N 3.27Å; D60-G62 WeakPolarHBondContact OD1-CA 3.45Å; D60-G62 PolarHBondContact OD1-N 3.19Å; G62-D66 PolarHBondContact N-OD2 2.75Å; G62-D66 VanDerWaalsContact N-OD2 3.16Å
63G75Confident78.5Confident27 Ų2774.6 Ų74.628%0.27843%0.43SS..SBendtrans-78172.5-176.100000114.5T61 D65 D66 K70T61-G63 PolarHBondContact O-N 3.45Å; G63-D65 VanDerWaalsContact C-N 3.27Å; G63-D66 PolarHBondContact N-OD2 3.47Å; G63-D66 PolarHBondContact O-N 3.38Å; G63-K70 PolarHBondContact O-NZ 2.62Å
64D67.2Low78.3Confident156 Ų15676.4 Ų76.483%0.83445%0.45SS*.G310 helixtrans-69.4-26.2171.9-77.9-19.5000112.1D66D64-D66 PolarHBondContact O-N 2.67Å
65D64.4Low78.3Confident162 Ų16273.5 Ų73.587%0.86644%0.437SS*.G310 helixtrans-69.2-13.1177.3-68.1-34.3000113.2G63 A67G63-D65 VanDerWaalsContact C-N 3.27Å; D65-A67 VanDerWaalsContact C-N 3.28Å; D65-A67 PolarHBondContact O-N 3.29Å
66D73.8Confident78.3Confident18 Ų1867.8 Ų67.810%0.09641%0.412CS..G310 helixtrans-87.713.6-178.8-65.3-35.1000113.7T61 G62 G63 D64 L68 I69 K70T61-D66 WeakPolarHBondContact CA-OD2 3.42Å; T61-D66 WeakPolarHBondContact CB-OD2 3.34Å; T61-D66 PolarHBondContact N-OD2 3.5Å; T61-D66 PolarHBondContact OG1-OD2 3.07Å; G62-D66 PolarHBondContact N-OD2 2.75Å; G62-D66 VanDerWaalsContact N-OD2 3.16Å; G63-D66 PolarHBondContact N-OD2 3.47Å; G63-D66 PolarHBondContact O-N 3.38Å; D64-D66 PolarHBondContact O-N 2.67Å; D66-L68 PolarHBondContact O-N 3Å; D66-I69 HydrophobicContact CB-CB 4.44Å; D66-I69 HydrophobicContact CB-CD1 4.49Å; D66-I69 PolarHBondContact O-N 2.88Å; D66-K70 PolarHBondContact O-N 2.61Å
67A78.6Confident78.5Confident65 Ų6569 Ų6954%0.53742%0.418SS..Hα-helixtrans-50.8-36.4-17900000113.4D65 A71D65-A67 VanDerWaalsContact C-N 3.28Å; D65-A67 PolarHBondContact O-N 3.29Å; A67-A71 WeakPolarHBondContact O-CB 3.3Å; A67-A71 PolarHBondContact O-N 3.27Å
68L77.8Confident78.7Confident118 Ų11869 Ų6962%0.61842%0.419SS*.Hα-helixtrans-72-38.4177.7-174.7138.2000112.7D66 A71 Q72D66-L68 PolarHBondContact O-N 3Å; L68-A71 PolarHBondContact O-N 3.03Å; L68-Q72 WeakPolarHBondContact O-CG 3.29Å; L68-Q72 PolarHBondContact O-N 3Å
69I77.3Confident78.9Confident27 Ų2765.8 Ų65.814%0.13839%0.386CS..Hα-helixtrans-66.7-45.3175.4-60.7177.2000109.3L56 H59 D60 D66 A71 Q72 L73L56-I69 HydrophobicContact CB-CG2 4.4Å; H59-I69 HydrophobicContact CB-CD1 4.07Å; H59-I69 WeakPolarHBondContact O-CD1 3.5Å; D60-I69 HydrophobicContact CB-CG2 4.14Å; D66-I69 HydrophobicContact CB-CB 4.44Å; D66-I69 HydrophobicContact CB-CD1 4.49Å; D66-I69 PolarHBondContact O-N 2.88Å; I69-A71 VanDerWaalsContact C-N 3.33Å; I69-A71 PolarHBondContact O-N 3.32Å; I69-Q72 PolarHBondContact O-N 3.3Å; I69-Q72 VanDerWaalsContact O-N 3.15Å; I69-L73 HydrophobicContact CG2-CD1 4.07Å; I69-L73 HydrophobicContact CG2-CG 4.39Å; I69-L73 WeakPolarHBondContact O-CG 3.46Å; I69-L73 PolarHBondContact O-N 3.18Å
70K80.5Confident79.5Confident90 Ų9061 Ų6139%0.39136%0.362SS..Hα-helixtrans-58.3-43.3175.5-70.8171.4178164.30111.6G63 D66 L73 G74G63-K70 PolarHBondContact O-NZ 2.62Å; D66-K70 PolarHBondContact O-N 2.61Å; K70-L73 PolarHBondContact O-N 3.25Å; K70-G74 PolarHBondContact O-N 2.66Å
71A81Confident80.2Confident61 Ų6163.9 Ų63.950%0.50437%0.373SS..Hα-helixtrans-62.9-42.5174.800000112.6A67 L68 I69 G74 S75A67-A71 WeakPolarHBondContact O-CB 3.3Å; A67-A71 PolarHBondContact O-N 3.27Å; L68-A71 PolarHBondContact O-N 3.03Å; I69-A71 VanDerWaalsContact C-N 3.33Å; I69-A71 PolarHBondContact O-N 3.32Å; A71-G74 PolarHBondContact O-N 2.91Å; A71-S75 PolarHBondContact O-N 3.11Å; A71-S75 PolarHBondContact O-OG 3.35Å
72Q79.6Confident80.7Confident29 Ų2958.4 Ų58.414%0.13634%0.339CS..Hα-helixtrans-65.5-42.5176.6-74.6176.2-2.300112.6L56 L68 I69 G74 S75 L76 T622L56-Q72 HydrophobicContact CD1-CB 4.21Å; L68-Q72 WeakPolarHBondContact O-CG 3.29Å; L68-Q72 PolarHBondContact O-N 3Å; I69-Q72 PolarHBondContact O-N 3.3Å; I69-Q72 VanDerWaalsContact O-N 3.15Å; Q72-G74 VanDerWaalsContact C-N 3.3Å; Q72-G74 PolarHBondContact O-N 3.46Å; Q72-S75 PolarHBondContact O-N 2.87Å; Q72-L76 WeakPolarHBondContact O-CG 3.14Å; Q72-L76 PolarHBondContact O-N 3.17Å; Q72-T622 PolarHBondContact NE2-OG1 2.68Å; Q72-T622 PolarHBondContact OE1-OG1 3.21Å
73L83.2Confident81.8Confident22 Ų2255.9 Ų55.912%0.11531%0.313CS..Hα-helixtrans-61-40.9174.3-74.5173.5000111.2M53 L56 R57 I69 K70 L76 D77M53-L73 HydrophobicContact CB-CD2 4.08Å; M53-L73 HydrophobicContact CE-CD2 4.17Å; M53-L73 HydrophobicContact CG-CD2 4.1Å; L56-L73 HydrophobicContact CB-CD2 3.84Å; L56-L73 HydrophobicContact CB-CG 4.31Å; L56-L73 HydrophobicContact CD1-CD2 4.26Å; R57-L73 HydrophobicContact CG-CD1 4.14Å; R57-L73 HydrophobicContact CG-CD2 4.14Å; I69-L73 HydrophobicContact CG2-CD1 4.07Å; I69-L73 HydrophobicContact CG2-CG 4.39Å; I69-L73 WeakPolarHBondContact O-CG 3.46Å; I69-L73 PolarHBondContact O-N 3.18Å; K70-L73 PolarHBondContact O-N 3.25Å; L73-L76 PolarHBondContact O-N 3.13Å; L73-D77 VanDerWaalsContact O-CB 3.31Å; L73-D77 WeakPolarHBondContact O-CB 3.43Å; L73-D77 PolarHBondContact O-N 2.64Å
74G84.3Confident82.6Confident43 Ų4357.9 Ų57.944%0.44332%0.317SS..Hα-helixtrans-60.3-46174.100000112.9K70 A71 Q72 D77 Y78K70-G74 PolarHBondContact O-N 2.66Å; A71-G74 PolarHBondContact O-N 2.91Å; Q72-G74 VanDerWaalsContact C-N 3.3Å; Q72-G74 PolarHBondContact O-N 3.46Å; G74-D77 PolarHBondContact O-N 2.77Å; G74-Y78 PolarHBondContact O-N 2.9Å
75S87Confident83.6Confident30 Ų3054.8 Ų54.821%0.2130%0.299CS..Hα-helixtrans-63.3-42.4176.1-65.70000112.9A71 Q72 Y78 V79A71-S75 PolarHBondContact O-N 3.11Å; A71-S75 PolarHBondContact O-OG 3.35Å; Q72-S75 PolarHBondContact O-N 2.87Å; S75-Y78 WeakPolarHBondContact O-CB 3.35Å; S75-Y78 PolarHBondContact O-N 3.31Å; S75-V79 PolarHBondContact O-N 3.41Å
76L85.9Confident84.9Confident1 Ų147.6 Ų47.61%0.00526%0.26CS..Hα-helixtrans-66.7-37.9176.4-72.4169.6000111.8L49 M53 L56 Q72 L73 Y78 V79 R80 V623L49-L76 HydrophobicContact CD2-CD2 3.51Å; M53-L76 HydrophobicContact CG-CB 3.71Å; M53-L76 HydrophobicContact CG-CD1 3.72Å; M53-L76 HydrophobicContact CG-CG 4.32Å; M53-L76 HydrophobicContact SD-CB 3.75Å; L56-L76 HydrophobicContact CD1-CD1 3.45Å; L56-L76 VanDerWaalsContact CD1-CD1 3.45Å; Q72-L76 WeakPolarHBondContact O-CG 3.14Å; Q72-L76 PolarHBondContact O-N 3.17Å; L73-L76 PolarHBondContact O-N 3.13Å; L76-Y78 VanDerWaalsContact C-N 3.34Å; L76-V79 PolarHBondContact O-N 2.92Å; L76-R80 WeakPolarHBondContact O-CB 3.4Å; L76-R80 PolarHBondContact O-N 3.13Å; L76-V623 HydrophobicContact CD2-CB 4.39Å; L76-V623 HydrophobicContact CD2-CG1 4.28Å; L76-V623 HydrophobicContact CD2-CG2 3.69Å; L76-V623 HydrophobicContact CG-CG2 4.23Å
77D86.8Confident85.7Confident47 Ų4750.3 Ų50.325%0.25127%0.269SS..Hα-helixtrans-65.5-37.2175.7-170.267.4000112M53 L73 G74 R80 K81M53-D77 HydrophobicContact CE-CB 4.1Å; L73-D77 VanDerWaalsContact O-CB 3.31Å; L73-D77 WeakPolarHBondContact O-CB 3.43Å; L73-D77 PolarHBondContact O-N 2.64Å; G74-D77 PolarHBondContact O-N 2.77Å; D77-R80 PolarHBondContact O-N 3.07Å; D77-R80 IonicContact OD1-NH1 3.22Å; D77-K81 WeakPolarHBondContact O-CG 3.38Å; D77-K81 PolarHBondContact O-N 2.91Å; D77-K81 WeakPolarHBondContact OD2-CE 3.26Å; D77-K81 IonicContact OD2-NZ 3.37Å; D77-K81 PolarHBondContact OD2-NZ 2.83Å
78Y88Confident86.3Confident125 Ų12554.7 Ų54.749%0.4927%0.271SS..Hα-helixtrans-59.2-48.6172.5174.5-106.5000111.9G74 S75 L76 R80 K81 I82G74-Y78 PolarHBondContact O-N 2.9Å; S75-Y78 WeakPolarHBondContact O-CB 3.35Å; S75-Y78 PolarHBondContact O-N 3.31Å; L76-Y78 VanDerWaalsContact C-N 3.34Å; Y78-R80 VanDerWaalsContact C-N 3.34Å; Y78-R80 PolarHBondContact O-N 3.15Å; Y78-K81 WeakPolarHBondContact O-CB 3.17Å; Y78-K81 PolarHBondContact O-N 3.08Å; Y78-I82 HydrophobicContact CD1-CD1 4.16Å; Y78-I82 HydrophobicContact CE1-CD1 3.59Å; Y78-I82 HydrophobicContact CE2-CD1 4.41Å; Y78-I82 PolarHBondContact O-N 2.64Å; Y78-I82 VanDerWaalsContact O-N 3.11Å
79V87Confident86.7Confident3 Ų352.4 Ų52.42%0.01826%0.258CS..Hα-helixtrans-63.1-42.1176.1-178.20000110.9F29 L33 L49 S75 L76 K81 I82 C83F29-V79 HydrophobicContact CE1-CG1 3.88Å; L33-V79 HydrophobicContact CD1-CG1 3.65Å; L49-V79 HydrophobicContact CD1-CB 4.22Å; L49-V79 HydrophobicContact CD1-CG1 3.77Å; L49-V79 HydrophobicContact CD2-CB 4.49Å; L49-V79 HydrophobicContact CD2-CG1 4.32Å; S75-V79 PolarHBondContact O-N 3.41Å; L76-V79 PolarHBondContact O-N 2.92Å; V79-K81 VanDerWaalsContact C-N 3.31Å; V79-K81 PolarHBondContact O-N 3.08Å; V79-I82 WeakPolarHBondContact O-CB 3.5Å; V79-I82 PolarHBondContact O-N 3.25Å; V79-C83 PolarHBondContact O-N 3Å; V79-C83 PolarHBondContact O-SG 3.18Å
80R90.6Very high87.2Confident31 Ų3153 Ų5312%0.11726%0.26CS..Hα-helixtrans-58.4-43.1175.9-177.1-165.6-81.8158.9-8.4111.4L49 N50 M53 L76 D77 Y78 C83 L84L49-R80 HydrophobicContact CD1-CB 4.27Å; N50-R80 PolarHBondContact OD1-NE 3.06Å; N50-R80 PolarHBondContact OD1-NH2 3.37Å; M53-R80 VanDerWaalsContact CE-NH1 3.3Å; M53-R80 PolarHBondContact SD-NH1 3.26Å; M53-R80 VanDerWaalsContact SD-NH1 3.45Å; M53-R80 PolarHBondContact SD-NH2 3.13Å; L76-R80 WeakPolarHBondContact O-CB 3.4Å; L76-R80 PolarHBondContact O-N 3.13Å; D77-R80 PolarHBondContact O-N 3.07Å; D77-R80 IonicContact OD1-NH1 3.22Å; Y78-R80 VanDerWaalsContact C-N 3.34Å; Y78-R80 PolarHBondContact O-N 3.15Å; R80-C83 WeakPolarHBondContact O-CB 3.47Å; R80-C83 PolarHBondContact O-N 3.41Å; R80-L84 HydrophobicContact CG-CD1 4.08Å; R80-L84 HydrophobicContact CG-CG 4.4Å; R80-L84 WeakPolarHBondContact O-CG 3.15Å; R80-L84 PolarHBondContact O-N 3.21Å
81K90.1Very high87.5Confident113 Ų11354.5 Ų54.549%0.49127%0.269SS..Hα-helixtrans-60.2-43.4175.9-78.5166.7172151.80111.9D77 Y78 V79 C83 L84 I85D77-K81 WeakPolarHBondContact O-CG 3.38Å; D77-K81 PolarHBondContact O-N 2.91Å; D77-K81 WeakPolarHBondContact OD2-CE 3.26Å; D77-K81 IonicContact OD2-NZ 3.37Å; D77-K81 PolarHBondContact OD2-NZ 2.83Å; Y78-K81 WeakPolarHBondContact O-CB 3.17Å; Y78-K81 PolarHBondContact O-N 3.08Å; V79-K81 VanDerWaalsContact C-N 3.31Å; V79-K81 PolarHBondContact O-N 3.08Å; K81-C83 VanDerWaalsContact C-N 3.34Å; K81-C83 PolarHBondContact O-N 3.38Å; K81-L84 PolarHBondContact O-N 3.12Å; K81-I85 WeakPolarHBondContact O-CB 3.28Å; K81-I85 VanDerWaalsContact O-CG1 3.28Å; K81-I85 WeakPolarHBondContact O-CG1 3.36Å; K81-I85 PolarHBondContact O-N 3.12Å
82I86.9Confident87.8Confident6 Ų657.6 Ų57.63%0.03127%0.273CS..Hα-helixtrans-56.4-49.8173.8-66.6173.6000110.5C30 L33 R34 Y78 V79 L84 I85 R86C30-I82 HydrophobicContact CB-CD1 3.85Å; L33-I82 HydrophobicContact CB-CG2 4.32Å; R34-I82 HydrophobicContact CG-CG2 3.75Å; Y78-I82 HydrophobicContact CD1-CD1 4.16Å; Y78-I82 HydrophobicContact CE1-CD1 3.59Å; Y78-I82 HydrophobicContact CE2-CD1 4.41Å; Y78-I82 PolarHBondContact O-N 2.64Å; Y78-I82 VanDerWaalsContact O-N 3.11Å; V79-I82 WeakPolarHBondContact O-CB 3.5Å; V79-I82 PolarHBondContact O-N 3.25Å; I82-L84 PolarHBondContact O-N 3.45Å; I82-I85 PolarHBondContact O-N 2.97Å; I82-R86 WeakPolarHBondContact O-CB 3.4Å; I82-R86 PolarHBondContact O-N 3.39Å
83C92.1Very high87.7Confident0 Ų058.8 Ų58.80%029%0.294CS..Hα-helixtrans-59.5-45178.1-690000112.4I42 I46 V79 R80 K81 R86 R87I42-C83 HydrophobicContact CG2-CB 3.84Å; I42-C83 VanDerWaalsContact CG2-O 3.31Å; I42-C83 WeakPolarHBondContact CG2-O 3.42Å; I46-C83 HydrophobicContact CD1-CB 3.83Å; I46-C83 HydrophobicContact CG1-CB 3.49Å; I46-C83 VanDerWaalsContact CG1-CB 3.49Å; V79-C83 PolarHBondContact O-N 3Å; V79-C83 PolarHBondContact O-SG 3.18Å; R80-C83 WeakPolarHBondContact O-CB 3.47Å; R80-C83 PolarHBondContact O-N 3.41Å; K81-C83 VanDerWaalsContact C-N 3.34Å; K81-C83 PolarHBondContact O-N 3.38Å; C83-R86 PolarHBondContact O-N 2.95Å; C83-R87 VanDerWaalsContact O-CB 3.32Å; C83-R87 WeakPolarHBondContact O-CB 3.49Å; C83-R87 PolarHBondContact O-N 3.26Å
84L92.8Very high86.6Confident68 Ų6861.8 Ų61.836%0.35631%0.312SS..Hα-helixtrans-64.8-42.1-179.8-71.7172000112.5I46 R80 K81 I82 R88I46-L84 HydrophobicContact CD1-CD2 3.99Å; I46-L84 HydrophobicContact CD1-CG 4.45Å; R80-L84 HydrophobicContact CG-CD1 4.08Å; R80-L84 HydrophobicContact CG-CG 4.4Å; R80-L84 WeakPolarHBondContact O-CG 3.15Å; R80-L84 PolarHBondContact O-N 3.21Å; K81-L84 PolarHBondContact O-N 3.12Å; I82-L84 PolarHBondContact O-N 3.45Å; L84-R88 PolarHBondContact O-N 3.28Å; L84-R88 VanDerWaalsContact O-N 3.15Å
85I88.9Confident85Confident91 Ų9162.6 Ų62.647%0.46732%0.315SS..Hα-helixtrans-62.2-49.8175.1-69.1166000109.6K81 I82 R87 R88 Q89K81-I85 WeakPolarHBondContact O-CB 3.28Å; K81-I85 VanDerWaalsContact O-CG1 3.28Å; K81-I85 WeakPolarHBondContact O-CG1 3.36Å; K81-I85 PolarHBondContact O-N 3.12Å; I82-I85 PolarHBondContact O-N 2.97Å; I85-R87 VanDerWaalsContact C-N 3.35Å; I85-R87 PolarHBondContact O-N 2.92Å; I85-R88 WeakPolarHBondContact O-CB 3.35Å; I85-R88 PolarHBondContact O-N 3.37Å; I85-Q89 WeakPolarHBondContact O-CG 3.47Å; I85-Q89 PolarHBondContact O-N 3.03Å
86R89.8Confident83.1Confident11 Ų1164.9 Ų64.94%0.04232%0.322CS..Hα-helixtrans-63.3-41.3-178.8-177.354.8178.8-170.8-8.7112.2R34 S36 I42 I82 C83 R88 Q89 I90R34-R86 VanDerWaalsContact O-CD 3.26Å; R34-R86 WeakPolarHBondContact O-CD 3.31Å; R34-R86 PolarHBondContact O-NE 3.38Å; S36-R86 PolarHBondContact O-NE 3.2Å; S36-R86 PolarHBondContact O-NH2 3.46Å; I42-R86 HydrophobicContact CD1-CG 4.36Å; I82-R86 WeakPolarHBondContact O-CB 3.4Å; I82-R86 PolarHBondContact O-N 3.39Å; C83-R86 PolarHBondContact O-N 2.95Å; R86-R88 VanDerWaalsContact C-N 3.28Å; R86-R88 PolarHBondContact O-N 3.3Å; R86-Q89 PolarHBondContact O-N 3.3Å; R86-I90 HydrophobicContact CG-CD1 4.08Å; R86-I90 HydrophobicContact CG-CG1 4.49Å; R86-I90 WeakPolarHBondContact O-CG1 3.45Å; R86-I90 PolarHBondContact O-N 3.22Å
87R92.3Very high80.9Confident76 Ų7671 Ų7129%0.28735%0.349SS..Hα-helixtrans-56.5-44.4175.2-169.3179.869.6179.52.4111.7I39 I42 D43 C83 I85 I90 Q91I39-R87 HydrophobicContact CG2-CG 4.2Å; I42-R87 HydrophobicContact CG2-CB 3.93Å; D43-R87 WeakPolarHBondContact OD1-CD 3.45Å; D43-R87 IonicContact OD1-CZ 3.82Å; D43-R87 IonicContact OD1-NE 3.87Å; D43-R87 IonicContact OD1-NH1 2.58Å; D43-R87 PolarHBondContact OD1-NH1 3.5Å; C83-R87 VanDerWaalsContact O-CB 3.32Å; C83-R87 WeakPolarHBondContact O-CB 3.49Å; C83-R87 PolarHBondContact O-N 3.26Å; I85-R87 VanDerWaalsContact C-N 3.35Å; I85-R87 PolarHBondContact O-N 2.92Å; R87-I90 PolarHBondContact O-N 3.41Å; R87-Q91 WeakPolarHBondContact O-CG 3.44Å; R87-Q91 PolarHBondContact O-N 3.39Å; R87-Q91 VanDerWaalsContact O-N 3.1Å
88R89.7Confident78.7Confident156 Ų15674.5 Ų74.559%0.58937%0.374SS*.Hα-helixtrans-62.2-47.1176.8-174.7-173-62171-0.7111.3L84 I85 R86 I90 Q91 E92L84-R88 PolarHBondContact O-N 3.28Å; L84-R88 VanDerWaalsContact O-N 3.15Å; I85-R88 WeakPolarHBondContact O-CB 3.35Å; I85-R88 PolarHBondContact O-N 3.37Å; R86-R88 VanDerWaalsContact C-N 3.28Å; R86-R88 PolarHBondContact O-N 3.3Å; R88-I90 VanDerWaalsContact C-N 3.31Å; R88-I90 PolarHBondContact O-N 2.88Å; R88-Q91 WeakPolarHBondContact O-CB 3.33Å; R88-Q91 PolarHBondContact O-N 2.86Å; R88-Q91 VanDerWaalsContact O-N 3.1Å; R88-E92 VanDerWaalsContact CD-OE1 3.3Å; R88-E92 WeakPolarHBondContact CD-OE1 3.45Å; R88-E92 HydrophobicContact CG-CG 4.27Å; R88-E92 WeakPolarHBondContact CG-OE1 3.09Å; R88-E92 WeakPolarHBondContact O-CG 3.31Å; R88-E92 PolarHBondContact O-N 3.48Å
89Q86.8Confident76.2Confident71 Ų7172 Ų7233%0.33239%0.386SS..Hα-helixtrans-57.6-41.8178.5-70.2172.3-25.800112.6I85 R86 G93 V94I85-Q89 WeakPolarHBondContact O-CG 3.47Å; I85-Q89 PolarHBondContact O-N 3.03Å; R86-Q89 PolarHBondContact O-N 3.3Å; Q89-G93 PolarHBondContact O-N 2.75Å; Q89-V94 PolarHBondContact O-N 2.68Å
90I87.2Confident73.5Confident38 Ų3881 Ų8120%0.19542%0.42CS..Hα-helixtrans-65.6-42.8176.5-58.9162.4000110.7S36 I39 I42 R86 R87 R88 G93S36-I90 WeakPolarHBondContact O-CD1 3.39Å; I39-I90 HydrophobicContact CD1-CG2 3.94Å; I39-I90 HydrophobicContact CG1-CB 4.06Å; I39-I90 HydrophobicContact CG1-CD1 4.43Å; I39-I90 HydrophobicContact CG1-CG2 3.62Å; I42-I90 HydrophobicContact CG1-CD1 4.49Å; R86-I90 HydrophobicContact CG-CD1 4.08Å; R86-I90 HydrophobicContact CG-CG1 4.49Å; R86-I90 WeakPolarHBondContact O-CG1 3.45Å; R86-I90 PolarHBondContact O-N 3.22Å; R87-I90 PolarHBondContact O-N 3.41Å; R88-I90 VanDerWaalsContact C-N 3.31Å; R88-I90 PolarHBondContact O-N 2.88Å; I90-G93 PolarHBondContact O-N 2.67Å; I90-G93 VanDerWaalsContact O-N 3.15Å
91Q88.4Confident70.8Confident122 Ų12282.5 Ų82.557%0.5744%0.439SS*.Hα-helixtrans-64.9-38.4178.8-74.4175.3-26.800113.1I39 R87 R88 G93I39-Q91 HydrophobicContact CD1-CG 3.8Å; R87-Q91 WeakPolarHBondContact O-CG 3.44Å; R87-Q91 PolarHBondContact O-N 3.39Å; R87-Q91 VanDerWaalsContact O-N 3.1Å; R88-Q91 WeakPolarHBondContact O-CB 3.33Å; R88-Q91 PolarHBondContact O-N 2.86Å; R88-Q91 VanDerWaalsContact O-N 3.1Å; Q91-G93 PolarHBondContact O-N 3.23Å
92E87.2Confident68.3Low126 Ų12680.5 Ų80.559%0.58943%0.433SS*.THydrogen-bonded Turntrans-73.4-6.4176.5-70.1171.517800112.5R88 V94R88-E92 VanDerWaalsContact CD-OE1 3.3Å; R88-E92 WeakPolarHBondContact CD-OE1 3.45Å; R88-E92 HydrophobicContact CG-CG 4.27Å; R88-E92 WeakPolarHBondContact CG-OE1 3.09Å; R88-E92 WeakPolarHBondContact O-CG 3.31Å; R88-E92 PolarHBondContact O-N 3.48Å; E92-V94 HydrophobicContact CB-CG2 3.9Å; E92-V94 PolarHBondContact O-N 3.24Å
93G76.3Confident65.9Low55 Ų5583.4 Ų83.457%0.56746%0.459SS*.THydrogen-bonded Turntrans70.515-17600000113.2Q89 I90 Q91 A95Q89-G93 PolarHBondContact O-N 2.75Å; I90-G93 PolarHBondContact O-N 2.67Å; I90-G93 VanDerWaalsContact O-N 3.15Å; Q91-G93 PolarHBondContact O-N 3.23Å; G93-A95 PolarHBondContact O-N 3.08Å
94V60.2Low63.7Low84 Ų8486.1 Ų86.151%0.50947%0.469SS..  trans-76.958.4168.3-167.20000107.7Q89 E92Q89-V94 PolarHBondContact O-N 2.68Å; E92-V94 HydrophobicContact CB-CG2 3.9Å; E92-V94 PolarHBondContact O-N 3.24Å
95A50.1Low61Low60 Ų6091.5 Ų91.550%0.49649%0.492SS..  trans-68.3133.7163.800000107G93 K97G93-A95 PolarHBondContact O-N 3.08Å; A95-K97 PolarHBondContact O-N 3.37Å
96E48.5Very low59.1Low79 Ų7989.5 Ų89.537%0.36948%0.482SS..  trans-5492.2160.3-72.2172.1172.200106P98 R815E96-P98 WeakPolarHBondContact O-CD 3.46Å; E96-R815 IonicContact OE1-NH2 3.76Å; E96-R815 PolarHBondContact OE1-NH2 2.67Å; E96-R815 IonicContact OE2-NH2 2.59Å; E96-R815 PolarHBondContact OE2-NH2 2.84Å
97K39.8Very low57.1Low130 Ų13094.9 Ų94.957%0.56551%0.508SS*.  trans-71.3112.4178-83.4-175.5178.6176.70106.8A95 G99A95-K97 PolarHBondContact O-N 3.37Å; K97-G99 PolarHBondContact O-N 3.34Å
98P39.7Very low55.2Low120 Ų12096.5 Ų96.578%0.77953%0.528SS*.THydrogen-bonded Turntrans-72.9101.9-178.929.5-29.9000108.1E96E96-P98 WeakPolarHBondContact O-CD 3.46Å
99G35.5Very low53.4Low72 Ų7295.5 Ų95.574%0.74253%0.534SS*.THydrogen-bonded Turntrans123.9-14.517300000115.8K97 A101K97-G99 PolarHBondContact O-N 3.34Å; G99-A101 PolarHBondContact O-N 3.49Å
100R31.6Very low52.2Low191 Ų19193.2 Ų93.272%0.72153%0.528SS*.SBendtrans-78122.8150-81.8-171179.1-174.8-1.8104L102R100-L102 PolarHBondContact O-N 3.39Å
101A33.4Very low51.1Low64 Ų6499.1 Ų99.153%0.52955%0.548SS..  trans-30.6120.6154.700000105.9G99 A103G99-A101 PolarHBondContact O-N 3.49Å; A101-A103 PolarHBondContact O-N 3.08Å
102L37.9Very low50.5Low70 Ų7094 Ų9437%0.36652%0.524SS..  trans-52.899.7164.6-9396.5000102.7R100 Y104R100-L102 PolarHBondContact O-N 3.39Å; L102-Y104 HydrophobicContact CB-CD1 4.1Å; L102-Y104 HydrophobicContact CB-CD2 3.75Å; L102-Y104 HydrophobicContact CB-CE1 3.78Å; L102-Y104 HydrophobicContact CB-CE2 3.4Å; L102-Y104 VanDerWaalsContact CB-CE2 3.4Å; L102-Y104 HydrophobicContact CB-CG 4.04Å; L102-Y104 HydrophobicContact CD2-CD1 3.79Å; L102-Y104 HydrophobicContact CD2-CE1 3.27Å; L102-Y104 HydrophobicContact CG-CE1 4.06Å; L102-Y104 HydrophobicContact CG-CE2 4.46Å; L102-Y104 WeakPolarHBondContact O-CD2 3.47Å; L102-Y104 PolarHBondContact O-N 3.21Å
103A35.7Very low50.3Low68 Ų6889.9 Ų89.956%0.56250%0.503SS*.  trans-6182.4143.300000100.4A101 H105A101-A103 PolarHBondContact O-N 3.08Å; A103-H105 PolarHBondContact O-N 3.22Å; A103-H105 PolarHBondContact O-ND1 2.61Å
104Y45Very low50.7Low57 Ų5789.4 Ų89.422%0.22449%0.488CS..  trans-48.1106.7153.5-60.9-80.7000100.7L102 L106 I372 A376 L381L102-Y104 HydrophobicContact CB-CD1 4.1Å; L102-Y104 HydrophobicContact CB-CD2 3.75Å; L102-Y104 HydrophobicContact CB-CE1 3.78Å; L102-Y104 HydrophobicContact CB-CE2 3.4Å; L102-Y104 VanDerWaalsContact CB-CE2 3.4Å; L102-Y104 HydrophobicContact CB-CG 4.04Å; L102-Y104 HydrophobicContact CD2-CD1 3.79Å; L102-Y104 HydrophobicContact CD2-CE1 3.27Å; L102-Y104 HydrophobicContact CG-CE1 4.06Å; L102-Y104 HydrophobicContact CG-CE2 4.46Å; L102-Y104 WeakPolarHBondContact O-CD2 3.47Å; L102-Y104 PolarHBondContact O-N 3.21Å; Y104-L106 PolarHBondContact O-N 2.91Å; Y104-I372 HydrophobicContact CD2-CG2 3.31Å; Y104-I372 HydrophobicContact CE2-CG2 3.78Å; Y104-I372 HydrophobicContact CG-CG2 4.1Å; Y104-A376 HydrophobicContact CE1-CB 4.09Å; Y104-A376 HydrophobicContact CE2-CB 4.08Å; Y104-A376 WeakPolarHBondContact OH-CB 3.41Å; Y104-L381 HydrophobicContact CD1-CD1 3.39Å; Y104-L381 HydrophobicContact CD2-CD1 3.9Å; Y104-L381 HydrophobicContact CE1-CD1 3.14Å; Y104-L381 HydrophobicContact CE1-CG 4.47Å; Y104-L381 HydrophobicContact CE2-CD1 3.68Å; Y104-L381 HydrophobicContact CG-CD1 3.8Å
105H37.3Very low51.9Low180 Ų18085.4 Ų85.483%0.83346%0.463SS*.  trans-71.764.1171-71.269.4000104.1A103 Q107A103-H105 PolarHBondContact O-N 3.22Å; A103-H105 PolarHBondContact O-ND1 2.61Å; H105-Q107 PolarHBondContact O-N 3.23Å; H105-Q107 VanDerWaalsContact O-N 3.17Å
106L49.3Very low53.6Low50 Ų5085.3 Ų85.326%0.26246%0.459SS..  trans-62.3119172.1-64.9168.4000102.6Y104 A110 I112 I372 I396Y104-L106 PolarHBondContact O-N 2.91Å; L106-A110 HydrophobicContact CB-CB 4.21Å; L106-A110 HydrophobicContact CD2-CB 4.4Å; L106-I112 HydrophobicContact CD1-CG2 4.1Å; L106-I112 HydrophobicContact CD2-CG2 4.23Å; L106-I372 HydrophobicContact CD1-CD1 4.18Å; L106-I372 HydrophobicContact CD1-CG2 4.17Å; L106-I396 HydrophobicContact CB-CD1 3.5Å; L106-I396 HydrophobicContact CD1-CD1 4.31Å; L106-I396 HydrophobicContact CG-CD1 4.47Å
107Q48.3Very low55.4Low123 Ų12382.8 Ų82.858%0.57545%0.447SS*.  trans-51.6146170.4-62.7-176.93.100107.6H105 D109 A110 I396H105-Q107 PolarHBondContact O-N 3.23Å; H105-Q107 VanDerWaalsContact O-N 3.17Å; Q107-D109 PolarHBondContact O-N 3.41Å; Q107-A110 HydrophobicContact CB-CB 4.34Å; Q107-A110 VanDerWaalsContact O-CB 3.31Å; Q107-A110 WeakPolarHBondContact O-CB 3.48Å; Q107-A110 PolarHBondContact O-N 3.4Å; Q107-I396 WeakPolarHBondContact O-CD1 3.38Å
108P51.2Low57.4Low111 Ų11183.5 Ų83.572%0.72145%0.452SS*.THydrogen-bonded Turntrans-48.8-27.4177.4-27.133.8000113.4
109D52.1Low59.4Low134 Ų13479.6 Ų79.672%0.71742%0.424SS*.THydrogen-bonded Turntrans-99.64.1-177.8-49-38.1000113.9Q107 R111Q107-D109 PolarHBondContact O-N 3.41Å; D109-R111 PolarHBondContact O-N 3.46Å
110A60.7Low61.7Low23 Ų2376.1 Ų76.119%0.1939%0.388CS..PPolyproline II helixtrans-67.1132.9-17700000110.3L106 Q107 I396L106-A110 HydrophobicContact CB-CB 4.21Å; L106-A110 HydrophobicContact CD2-CB 4.4Å; Q107-A110 HydrophobicContact CB-CB 4.34Å; Q107-A110 VanDerWaalsContact O-CB 3.31Å; Q107-A110 WeakPolarHBondContact O-CB 3.48Å; Q107-A110 PolarHBondContact O-N 3.4Å; A110-I396 HydrophobicContact CB-CD1 4.16Å; A110-I396 WeakPolarHBondContact O-CG1 3.3Å
111R65.4Low64.1Low163 Ų16367.7 Ų67.762%0.61536%0.357SS*.EExtended strand (participates in β ladder)trans-88.3120.6174.7-81.1-170.3-170.4-169.33.7108.9D109 F393 I394D109-R111 PolarHBondContact O-N 3.46Å; R111-F393 HydrophobicContact CB-CB 4.03Å; R111-F393 HydrophobicContact CB-CD1 4.11Å; R111-F393 HydrophobicContact CB-CG 4.41Å; R111-F393 WeakPolarHBondContact O-CD1 3.23Å; R111-I394 CarbonylContact C-O 3.56Å; R111-I394 WeakPolarHBondContact CA-O 3.43Å
112I76.3Confident66.1Low14 Ų1466.8 Ų66.87%0.07235%0.345CS..EExtended strand (participates in β ladder)trans-99151.1176.560.2171.7000110.6L106 D114 Y371 L375 L381 F393 I394L106-I112 HydrophobicContact CD1-CG2 4.1Å; L106-I112 HydrophobicContact CD2-CG2 4.23Å; I112-D114 PolarHBondContact O-N 3.33Å; I112-Y371 HydrophobicContact CD1-CD1 4.29Å; I112-Y371 HydrophobicContact CD1-CE1 4.12Å; I112-L375 HydrophobicContact CB-CD1 4.11Å; I112-L375 HydrophobicContact CD1-CD1 4.46Å; I112-L381 HydrophobicContact CG2-CD2 4.43Å; I112-F393 CarbonylContact O-C 3.52Å; I112-F393 VanDerWaalsContact O-CA 3.27Å; I112-F393 WeakPolarHBondContact O-CA 3.45Å; I112-I394 PolarHBondContact N-O 3.03Å; I112-I394 PolarHBondContact O-N 2.78Å
113Y82.1Confident67.8Low39 Ų3965.7 Ų65.715%0.15334%0.337CS..EExtended strand (participates in β ladder)trans-57.6133.4178.8-178.1-97.4000111.2M115 E119 Y371 L375 L380 N392Y113-M115 HydrophobicContact CD1-CB 4.15Å; Y113-M115 HydrophobicContact CE1-CB 3.93Å; Y113-M115 HydrophobicContact CE1-CG 4.31Å; Y113-E119 PolarHBondContact OH-OE1 3.25Å; Y113-E119 PolarHBondContact OH-OE2 2.87Å; Y113-Y371 PolarHBondContact O-OH 3.4Å; Y113-L375 HydrophobicContact CD1-CD2 3.91Å; Y113-L375 HydrophobicContact CG-CD2 4.5Å; Y113-L380 HydrophobicContact CD1-CB 4.43Å; Y113-L380 HydrophobicContact CD1-CD1 3.8Å; Y113-L380 HydrophobicContact CE1-CD1 3.91Å; Y113-L380 HydrophobicContact CG-CB 4.36Å; Y113-L380 HydrophobicContact CG-CD1 4.46Å; Y113-N392 CarbonylContact C-O 3.54Å; Y113-N392 WeakPolarHBondContact CA-O 3.14Å; Y113-N392 HydrophobicContact CD2-CB 4.32Å; Y113-N392 HydrophobicContact CE2-CB 3.98Å
114D84.2Confident69.6Low45 Ų4562.5 Ų62.524%0.24131%0.311CS..  trans-101.393.8178.9-17231.6000110.9I112 K366 N392 I394I112-D114 PolarHBondContact O-N 3.33Å; D114-K366 WeakPolarHBondContact OD1-CE 3.4Å; D114-K366 IonicContact OD1-NZ 2.92Å; D114-K366 PolarHBondContact OD1-NZ 2.82Å; D114-K366 IonicContact OD2-NZ 3.3Å; D114-N392 PolarHBondContact N-O 2.99Å; D114-I394 HydrophobicContact CB-CD1 3.9Å; D114-I394 HydrophobicContact CB-CG1 3.84Å; D114-I394 VanDerWaalsContact OD1-CD1 3.22Å; D114-I394 WeakPolarHBondContact OD1-CD1 3.36Å; D114-I394 VanDerWaalsContact OD2-CD1 3.3Å; D114-I394 WeakPolarHBondContact OD2-CD1 3.46Å
115M85.5Confident70.9Confident0 Ų060.5 Ų60.50%031%0.305CS..  trans-73.4135.9179.5-167.1179-55.500110.2Y113 E119 L120 A126 F362 K366 Y371 L374 L375 L378 L380Y113-M115 HydrophobicContact CD1-CB 4.15Å; Y113-M115 HydrophobicContact CE1-CB 3.93Å; Y113-M115 HydrophobicContact CE1-CG 4.31Å; M115-E119 HydrophobicContact CG-CB 3.92Å; M115-E119 HydrophobicContact CG-CG 3.93Å; M115-L120 HydrophobicContact SD-CB 3.94Å; M115-A126 HydrophobicContact SD-CB 4.31Å; M115-F362 VanDerWaalsContact O-CZ 3.3Å; M115-F362 WeakPolarHBondContact O-CZ 3.49Å; M115-K366 WeakPolarHBondContact O-CE 3.48Å; M115-K366 PolarHBondContact O-NZ 3.12Å; M115-Y371 HydrophobicContact CB-CE2 4.06Å; M115-Y371 WeakPolarHBondContact CB-OH 3.37Å; M115-Y371 PolarHBondContact N-OH 2.85Å; M115-L374 HydrophobicContact CE-CD2 3.97Å; M115-L374 HydrophobicContact CE-CG 4.27Å; M115-L374 HydrophobicContact SD-CD2 4.22Å; M115-L375 HydrophobicContact CE-CD2 3.84Å; M115-L378 HydrophobicContact CE-CD1 3.59Å; M115-L380 HydrophobicContact CE-CD1 3.95Å
116S86.6Confident73.1Confident59 Ų5952 Ų5241%0.41327%0.265SS..  trans-76.8156.6171.971.50000111.1Q118 E119 L120S116-Q118 PolarHBondContact O-N 2.87Å; S116-E119 PolarHBondContact O-N 3.06Å; S116-E119 VanDerWaalsContact OG-CB 3.27Å; S116-E119 WeakPolarHBondContact OG-CB 3.46Å; S116-E119 PolarHBondContact OG-N 3.38Å; S116-L120 PolarHBondContact O-N 3.26Å
117F86Confident74.5Confident26 Ų2649.7 Ų49.711%0.11425%0.253CS..Hα-helixtrans-60.7-39.8174.9-178.1-99.1000111E119 L120 M121 F130 V353 L356 S357 F362F117-E119 PolarHBondContact O-N 2.84Å; F117-L120 WeakPolarHBondContact O-CB 3.45Å; F117-L120 PolarHBondContact O-N 2.98Å; F117-M121 HydrophobicContact CD1-CG 3.99Å; F117-M121 HydrophobicContact CE1-CG 3.51Å; F117-M121 HydrophobicContact CE1-SD 4.26Å; F117-M121 HydrophobicContact CE2-CG 4.19Å; F117-M121 HydrophobicContact CE2-SD 4.17Å; F117-M121 HydrophobicContact CZ-CG 3.63Å; F117-M121 HydrophobicContact CZ-SD 3.76Å; F117-M121 WeakPolarHBondContact O-CG 3.41Å; F117-M121 PolarHBondContact O-N 2.88Å; F117-F130 AromaticContact CE2-CE1 3.88Å; F117-F130 HydrophobicContact CE2-CE1 3.88Å; F117-F130 HydrophobicContact CE2-CZ 4.34Å; F117-V353 HydrophobicContact CD1-CG1 4.16Å; F117-V353 HydrophobicContact CE1-CB 4.46Å; F117-V353 HydrophobicContact CE1-CG1 3.68Å; F117-V353 HydrophobicContact CE1-CG2 4.32Å; F117-L356 HydrophobicContact CE2-CB 3.81Å; F117-L356 HydrophobicContact CZ-CB 3.62Å; F117-L356 HydrophobicContact CZ-CD1 4.33Å; F117-S357 WeakPolarHBondContact CD1-OG 3.33Å; F117-S357 VanDerWaalsContact CG-OG 3.27Å; F117-S357 WeakPolarHBondContact CG-OG 3.47Å; F117-F362 HydrophobicContact CB-CD1 3.84Å; F117-F362 HydrophobicContact CB-CE1 3.66Å; F117-F362 HydrophobicContact CB-CG 4.43Å; F117-F362 HydrophobicContact CB-CZ 4.15Å; F117-F362 HydrophobicContact CD2-CB 3.94Å; F117-F362 AromaticContact CD2-CD1 3.98Å; F117-F362 HydrophobicContact CD2-CD1 3.98Å; F117-F362 HydrophobicContact CD2-CD2 4.04Å; F117-F362 HydrophobicContact CD2-CE1 4.43Å; F117-F362 AromaticContact CD2-CG 3.74Å; F117-F362 HydrophobicContact CD2-CG 3.74Å; F117-F362 HydrophobicContact CE2-CB 4.44Å; F117-F362 HydrophobicContact CG-CD1 4.39Å; F117-F362 VanDerWaalsContact N-CE1 3.34Å
118Q80.7Confident75.8Confident144 Ų14444.9 Ų44.967%0.67323%0.232SC*.Hα-helixtrans-59.9-46.1176.1-173.7175.31.600111.5S116 L120 M121 T122S116-Q118 PolarHBondContact O-N 2.87Å; Q118-L120 VanDerWaalsContact C-N 3.34Å; Q118-L120 PolarHBondContact O-N 3.43Å; Q118-M121 PolarHBondContact O-N 2.99Å; Q118-T122 WeakPolarHBondContact O-CG2 3.45Å; Q118-T122 PolarHBondContact O-N 2.93Å
119E82.3Confident77.2Confident38 Ų3840.5 Ų40.518%0.17820%0.204CC..Hα-helixtrans-61.3-42.4176.4-174.6-177.1175.700111.6Y113 M115 S116 F117 M121 T122 K123Y113-E119 PolarHBondContact OH-OE1 3.25Å; Y113-E119 PolarHBondContact OH-OE2 2.87Å; M115-E119 HydrophobicContact CG-CB 3.92Å; M115-E119 HydrophobicContact CG-CG 3.93Å; S116-E119 PolarHBondContact O-N 3.06Å; S116-E119 VanDerWaalsContact OG-CB 3.27Å; S116-E119 WeakPolarHBondContact OG-CB 3.46Å; S116-E119 PolarHBondContact OG-N 3.38Å; F117-E119 PolarHBondContact O-N 2.84Å; E119-M121 VanDerWaalsContact C-N 3.29Å; E119-M121 PolarHBondContact O-N 3.35Å; E119-T122 PolarHBondContact O-N 3.29Å; E119-T122 VanDerWaalsContact O-N 3.08Å; E119-T122 PolarHBondContact O-OG1 3.24Å; E119-K123 PolarHBondContact O-N 3.32Å; E119-K123 WeakPolarHBondContact OE1-CE 3.5Å; E119-K123 IonicContact OE1-NZ 3.24Å; E119-K123 PolarHBondContact OE1-NZ 3.49Å
120L84.9Confident78.8Confident0 Ų034.1 Ų34.10%017%0.17CC..Hα-helixtrans-56.4-45175-178.9146.6000111.4M115 S116 F117 Q118 T122 K123 A126 V127 F130 F362 F365M115-L120 HydrophobicContact SD-CB 3.94Å; S116-L120 PolarHBondContact O-N 3.26Å; F117-L120 WeakPolarHBondContact O-CB 3.45Å; F117-L120 PolarHBondContact O-N 2.98Å; Q118-L120 VanDerWaalsContact C-N 3.34Å; Q118-L120 PolarHBondContact O-N 3.43Å; L120-T122 PolarHBondContact O-N 3.42Å; L120-K123 PolarHBondContact O-N 3.49Å; L120-A126 HydrophobicContact CG-CB 3.99Å; L120-A126 WeakPolarHBondContact O-CB 3.13Å; L120-V127 WeakPolarHBondContact O-CG2 3.44Å; L120-F130 HydrophobicContact CD1-CB 4.01Å; L120-F130 HydrophobicContact CD1-CG 4.15Å; L120-F130 HydrophobicContact CD2-CB 3.87Å; L120-F130 HydrophobicContact CD2-CD1 3.65Å; L120-F130 HydrophobicContact CD2-CE1 4.44Å; L120-F130 HydrophobicContact CD2-CG 3.93Å; L120-F130 HydrophobicContact CG-CB 4.43Å; L120-F362 HydrophobicContact CB-CE2 4.21Å; L120-F362 HydrophobicContact CD1-CD2 3.85Å; L120-F362 HydrophobicContact CD1-CE2 3.45Å; L120-F362 VanDerWaalsContact CD1-CE2 3.45Å; L120-F362 HydrophobicContact CG-CE2 4.42Å; L120-F365 HydrophobicContact CD1-CD1 3.83Å; L120-F365 HydrophobicContact CD1-CE1 3.49Å; L120-F365 VanDerWaalsContact CD1-CE1 3.49Å
121M81.8Confident79.6Confident14 Ų1433.9 Ų33.97%0.06917%0.166CC..Hα-helixtrans-72.8-7.5-179.4-63-54.9-66.100114.1F117 Q118 E119 V127 L143 Y146F117-M121 HydrophobicContact CD1-CG 3.99Å; F117-M121 HydrophobicContact CE1-CG 3.51Å; F117-M121 HydrophobicContact CE1-SD 4.26Å; F117-M121 HydrophobicContact CE2-CG 4.19Å; F117-M121 HydrophobicContact CE2-SD 4.17Å; F117-M121 HydrophobicContact CZ-CG 3.63Å; F117-M121 HydrophobicContact CZ-SD 3.76Å; F117-M121 WeakPolarHBondContact O-CG 3.41Å; F117-M121 PolarHBondContact O-N 2.88Å; Q118-M121 PolarHBondContact O-N 2.99Å; E119-M121 VanDerWaalsContact C-N 3.29Å; E119-M121 PolarHBondContact O-N 3.35Å; M121-V127 HydrophobicContact SD-CG2 4.33Å; M121-L143 HydrophobicContact CE-CD1 3.75Å; M121-L143 HydrophobicContact SD-CD1 4.21Å; M121-Y146 HydrophobicContact CE-CD1 3.38Å; M121-Y146 HydrophobicContact CE-CE1 3.04Å; M121-Y146 HydrophobicContact CE-CG 4.29Å
122T75.7Confident79.8Confident44 Ų4427.5 Ų27.527%0.2714%0.144SC..Hα-helixtrans-93.9-18174.263.40000114.2Q118 E119 L120 D170Q118-T122 WeakPolarHBondContact O-CG2 3.45Å; Q118-T122 PolarHBondContact O-N 2.93Å; E119-T122 PolarHBondContact O-N 3.29Å; E119-T122 VanDerWaalsContact O-N 3.08Å; E119-T122 PolarHBondContact O-OG1 3.24Å; L120-T122 PolarHBondContact O-N 3.42Å; T122-D170 WeakPolarHBondContact O-CB 3.36Å
123K73.1Confident80.1Confident47 Ų4727.3 Ų27.320%0.20414%0.142CC..  trans-108.9120.3-176.5-61178.4-170.2173.10110.1E119 L120 V125 A126 V127 L378E119-K123 PolarHBondContact O-N 3.32Å; E119-K123 WeakPolarHBondContact OE1-CE 3.5Å; E119-K123 IonicContact OE1-NZ 3.24Å; E119-K123 PolarHBondContact OE1-NZ 3.49Å; L120-K123 PolarHBondContact O-N 3.49Å; K123-V125 VanDerWaalsContact C-N 3.35Å; K123-V125 PolarHBondContact O-N 3.48Å; K123-A126 HydrophobicContact CB-CB 3.84Å; K123-A126 WeakPolarHBondContact O-CA 3.37Å; K123-A126 WeakPolarHBondContact O-CB 3.4Å; K123-A126 PolarHBondContact O-N 3.06Å; K123-V127 PolarHBondContact O-N 2.95Å; K123-L378 HydrophobicContact CD-CD1 3.77Å; K123-L378 HydrophobicContact CD-CD2 4.13Å
124S72.1Confident80.1Confident2 Ų225.5 Ų25.51%0.01414%0.135CC..Hα-helixtrans-53.1-47.2179.943.90000113.3A126 V127 V128 S172S124-A126 VanDerWaalsContact C-N 3.25Å; S124-A126 PolarHBondContact O-N 3.15Å; S124-V127 PolarHBondContact O-N 3.11Å; S124-V128 WeakPolarHBondContact O-CB 3.29Å; S124-V128 VanDerWaalsContact O-CG2 3.32Å; S124-V128 WeakPolarHBondContact O-CG2 3.47Å; S124-V128 PolarHBondContact O-N 3.07Å; S124-S172 WeakPolarHBondContact CB-OG 3.44Å; S124-S172 WeakPolarHBondContact OG-CB 3.45Å; S124-S172 PolarHBondContact OG-OG 3.48Å
125V74Confident79.7Confident15 Ų1525 Ų259%0.09114%0.138CC..Hα-helixtrans-57.1-37.8175.4175.60000112.3K123 C129 L374 E377 L378 Q807 F808K123-V125 VanDerWaalsContact C-N 3.35Å; K123-V125 PolarHBondContact O-N 3.48Å; V125-C129 WeakPolarHBondContact O-CB 3.43Å; V125-C129 PolarHBondContact O-N 3.1Å; V125-L374 HydrophobicContact CG1-CD1 3.93Å; V125-E377 HydrophobicContact CG1-CB 4.21Å; V125-E377 HydrophobicContact CG1-CG 3.63Å; V125-L378 HydrophobicContact CB-CD2 4.34Å; V125-L378 HydrophobicContact CG1-CD2 4.38Å; V125-Q807 WeakPolarHBondContact CG2-O 3.31Å; V125-F808 WeakPolarHBondContact CG2-O 3.31Å
126A82.8Confident79.5Confident0 Ų028.6 Ų28.60%016%0.162CC..Hα-helixtrans-73.5-42.5179.400000112.3M115 L120 K123 S124 V128 C129 F130 L374M115-A126 HydrophobicContact SD-CB 4.31Å; L120-A126 HydrophobicContact CG-CB 3.99Å; L120-A126 WeakPolarHBondContact O-CB 3.13Å; K123-A126 HydrophobicContact CB-CB 3.84Å; K123-A126 WeakPolarHBondContact O-CA 3.37Å; K123-A126 WeakPolarHBondContact O-CB 3.4Å; K123-A126 PolarHBondContact O-N 3.06Å; S124-A126 VanDerWaalsContact C-N 3.25Å; S124-A126 PolarHBondContact O-N 3.15Å; A126-V128 VanDerWaalsContact C-N 3.3Å; A126-V128 PolarHBondContact O-N 3.49Å; A126-C129 PolarHBondContact O-N 2.96Å; A126-F130 VanDerWaalsContact O-CB 3.3Å; A126-F130 WeakPolarHBondContact O-CB 3.37Å; A126-F130 PolarHBondContact O-N 2.75Å; A126-L374 VanDerWaalsContact CA-CD1 3.48Å; A126-L374 HydrophobicContact CB-CD1 3.84Å; A126-L374 HydrophobicContact CB-CD2 3.74Å; A126-L374 HydrophobicContact CB-CG 4.38Å
127V79.5Confident79.4Confident2 Ų228.6 Ų28.61%0.01216%0.157CC..Hα-helixtrans-59.5-43173.3175.60000110.8L120 M121 K123 S124 F130 L131 L143 L147 V173 L176L120-V127 WeakPolarHBondContact O-CG2 3.44Å; M121-V127 HydrophobicContact SD-CG2 4.33Å; K123-V127 PolarHBondContact O-N 2.95Å; S124-V127 PolarHBondContact O-N 3.11Å; V127-F130 PolarHBondContact O-N 2.86Å; V127-L131 WeakPolarHBondContact O-CB 3.16Å; V127-L131 PolarHBondContact O-N 3.16Å; V127-L143 HydrophobicContact CG1-CD2 4.29Å; V127-L147 HydrophobicContact CG1-CD1 4.44Å; V127-L147 HydrophobicContact CG1-CD2 4.41Å; V127-V173 HydrophobicContact CG2-CG1 4.39Å; V127-V173 HydrophobicContact CG2-CG2 4.16Å; V127-L176 HydrophobicContact CB-CD1 4.43Å; V127-L176 HydrophobicContact CG1-CD1 4.37Å
128V75.7Confident79.1Confident22 Ų2233.8 Ų33.813%0.13319%0.186CC..Hα-helixtrans-61.9-53.4176.5160.60000111.3S124 A126 F130 L131 D132 L176 N721S124-V128 WeakPolarHBondContact O-CB 3.29Å; S124-V128 VanDerWaalsContact O-CG2 3.32Å; S124-V128 WeakPolarHBondContact O-CG2 3.47Å; S124-V128 PolarHBondContact O-N 3.07Å; A126-V128 VanDerWaalsContact C-N 3.3Å; A126-V128 PolarHBondContact O-N 3.49Å; V128-F130 PolarHBondContact O-N 2.8Å; V128-L131 WeakPolarHBondContact O-CB 3.31Å; V128-L131 PolarHBondContact O-N 3.21Å; V128-D132 VanDerWaalsContact O-CG 3.26Å; V128-D132 PolarHBondContact O-N 3.16Å; V128-L176 HydrophobicContact CG2-CD1 4.01Å; V128-L176 HydrophobicContact CG2-CD2 4.22Å; V128-N721 WeakPolarHBondContact CG1-ND2 3.48Å; V128-N721 HydrophobicContact CG2-CB 4.18Å; V128-N721 WeakPolarHBondContact CG2-ND2 3.45Å
129C79.2Confident79.2Confident19 Ų1930 Ų3013%0.12817%0.168CC..Hα-helixtrans-60.4-35.1179.9-170.40000111.9V125 A126 D132 F133 F365 Q370 L374V125-C129 WeakPolarHBondContact O-CB 3.43Å; V125-C129 PolarHBondContact O-N 3.1Å; A126-C129 PolarHBondContact O-N 2.96Å; C129-D132 PolarHBondContact O-N 3.18Å; C129-F133 PolarHBondContact O-N 2.71Å; C129-F365 HydrophobicContact CB-CZ 4.3Å; C129-Q370 PolarHBondContact SG-O 3.37Å; C129-L374 HydrophobicContact CB-CB 4.26Å; C129-L374 HydrophobicContact CB-CD1 4.15Å
130F85.6Confident78.9Confident0 Ų030.5 Ų30.50%017%0.17CC..Hα-helixtrans-70.1-40.5174.5-173.9-134.6000112.8F117 L120 A126 V127 V128 D132 F133 L134 L143 L356 C361 F362 F365F117-F130 AromaticContact CE2-CE1 3.88Å; F117-F130 HydrophobicContact CE2-CE1 3.88Å; F117-F130 HydrophobicContact CE2-CZ 4.34Å; L120-F130 HydrophobicContact CD1-CB 4.01Å; L120-F130 HydrophobicContact CD1-CG 4.15Å; L120-F130 HydrophobicContact CD2-CB 3.87Å; L120-F130 HydrophobicContact CD2-CD1 3.65Å; L120-F130 HydrophobicContact CD2-CE1 4.44Å; L120-F130 HydrophobicContact CD2-CG 3.93Å; L120-F130 HydrophobicContact CG-CB 4.43Å; A126-F130 VanDerWaalsContact O-CB 3.3Å; A126-F130 WeakPolarHBondContact O-CB 3.37Å; A126-F130 PolarHBondContact O-N 2.75Å; V127-F130 PolarHBondContact O-N 2.86Å; V128-F130 PolarHBondContact O-N 2.8Å; F130-D132 VanDerWaalsContact C-N 3.26Å; F130-D132 PolarHBondContact O-N 2.6Å; F130-F133 HydrophobicContact CD2-CD1 4.2Å; F130-F133 HydrophobicContact CE2-CD1 4.17Å; F130-F133 PolarHBondContact O-N 2.94Å; F130-L134 HydrophobicContact CD1-CD1 4.03Å; F130-L134 HydrophobicContact CD2-CD1 4.48Å; F130-L134 HydrophobicContact CD2-CG 4.16Å; F130-L134 HydrophobicContact CE1-CD1 3.69Å; F130-L134 HydrophobicContact CE1-CG 4.3Å; F130-L134 HydrophobicContact CE2-CD1 4.17Å; F130-L134 HydrophobicContact CE2-CD2 3.88Å; F130-L134 HydrophobicContact CE2-CG 3.86Å; F130-L134 HydrophobicContact CG-CD1 4.41Å; F130-L134 HydrophobicContact CG-CG 4.49Å; F130-L134 HydrophobicContact CZ-CD1 3.77Å; F130-L134 HydrophobicContact CZ-CD2 3.91Å; F130-L134 HydrophobicContact CZ-CG 3.95Å; F130-L134 WeakPolarHBondContact O-CB 3.33Å; F130-L134 VanDerWaalsContact O-CG 3.29Å; F130-L134 WeakPolarHBondContact O-CG 3.28Å; F130-L134 PolarHBondContact O-N 3.2Å; F130-L143 HydrophobicContact CD1-CD2 3.86Å; F130-L356 HydrophobicContact CE1-CB 4.37Å; F130-L356 HydrophobicContact CE1-CD2 4.14Å; F130-L356 HydrophobicContact CZ-CD2 4.42Å; F130-C361 HydrophobicContact CZ-CB 4.26Å; F130-F362 HydrophobicContact CE2-CB 4.36Å; F130-F362 HydrophobicContact CZ-CB 4.2Å; F130-F365 HydrophobicContact CB-CE1 4.45Å; F130-F365 HydrophobicContact CD2-CB 3.93Å; F130-F365 AromaticContact CD2-CD1 3.87Å; F130-F365 HydrophobicContact CD2-CD1 3.87Å; F130-F365 HydrophobicContact CD2-CD2 4.29Å; F130-F365 HydrophobicContact CD2-CE1 4.44Å; F130-F365 AromaticContact CD2-CG 3.77Å; F130-F365 HydrophobicContact CD2-CG 3.77Å; F130-F365 HydrophobicContact CE2-CB 3.97Å; F130-F365 HydrophobicContact CE2-CG 4.32Å
131L78.3Confident78.6Confident19 Ų1931.7 Ų31.710%0.09918%0.178CC..Hα-helixtrans-57.1-42.3173.2-175.464.1000111.2V127 V128 L134 A135 H140 L143 R144V127-L131 WeakPolarHBondContact O-CB 3.16Å; V127-L131 PolarHBondContact O-N 3.16Å; V128-L131 WeakPolarHBondContact O-CB 3.31Å; V128-L131 PolarHBondContact O-N 3.21Å; L131-L134 CarbonylContact O-C 3.55Å; L131-L134 PolarHBondContact O-N 3.21Å; L131-A135 WeakPolarHBondContact O-CB 3.42Å; L131-A135 PolarHBondContact O-N 2.59Å; L131-H140 HydrophobicContact CD1-CB 3.89Å; L131-L143 HydrophobicContact CB-CD2 3.66Å; L131-L143 HydrophobicContact CD1-CB 4.04Å; L131-L143 HydrophobicContact CD1-CD2 3.84Å; L131-L143 HydrophobicContact CD1-CG 4.12Å; L131-L143 HydrophobicContact CG-CD2 4.34Å; L131-R144 HydrophobicContact CD1-CG 4.17Å
132D69Low78.7Confident28 Ų2831.8 Ų31.815%0.1518%0.179CC..Hα-helixtrans-66.1-43.8178-60-33.4000112V128 C129 F130 L134 A135 S136 T717V128-D132 VanDerWaalsContact O-CG 3.26Å; V128-D132 PolarHBondContact O-N 3.16Å; C129-D132 PolarHBondContact O-N 3.18Å; F130-D132 VanDerWaalsContact C-N 3.26Å; F130-D132 PolarHBondContact O-N 2.6Å; D132-L134 VanDerWaalsContact C-N 3.34Å; D132-L134 PolarHBondContact O-N 3.47Å; D132-A135 WeakPolarHBondContact O-CB 3.39Å; D132-A135 PolarHBondContact O-N 2.79Å; D132-A135 VanDerWaalsContact O-N 3.15Å; D132-S136 PolarHBondContact O-N 2.79Å; D132-T717 HydrophobicContact CB-CG2 4.02Å; D132-T717 WeakPolarHBondContact OD2-CA 3.45Å; D132-T717 WeakPolarHBondContact OD2-CB 3.32Å; D132-T717 WeakPolarHBondContact OD2-CG2 3.31Å
133F83.4Confident79.1Confident11 Ų1129.7 Ų29.75%0.04817%0.166CC..Hα-helixtrans-59-48.3173169.5-96.2000110.9C129 F130 A135 S136 I137 C361 A364 F365C129-F133 PolarHBondContact O-N 2.71Å; F130-F133 HydrophobicContact CD2-CD1 4.2Å; F130-F133 HydrophobicContact CE2-CD1 4.17Å; F130-F133 PolarHBondContact O-N 2.94Å; F133-A135 PolarHBondContact O-N 3.01Å; F133-S136 WeakPolarHBondContact O-CB 3.43Å; F133-S136 PolarHBondContact O-N 3.49Å; F133-S136 PolarHBondContact O-OG 3.35Å; F133-I137 HydrophobicContact CD1-CD1 4.44Å; F133-I137 HydrophobicContact CE1-CD1 3.67Å; F133-I137 HydrophobicContact CE1-CG1 4.35Å; F133-I137 HydrophobicContact CE2-CG2 4.44Å; F133-I137 HydrophobicContact CZ-CD1 4.04Å; F133-I137 HydrophobicContact CZ-CG2 4.21Å; F133-I137 PolarHBondContact O-N 3.36Å; F133-C361 VanDerWaalsContact CE1-O 3.24Å; F133-C361 WeakPolarHBondContact CE1-O 3.23Å; F133-A364 HydrophobicContact CE1-CB 4.13Å; F133-A364 VanDerWaalsContact CZ-C 3.44Å; F133-A364 HydrophobicContact CZ-CB 3.57Å; F133-F365 HydrophobicContact CB-CD2 3.44Å; F133-F365 VanDerWaalsContact CB-CD2 3.44Å; F133-F365 HydrophobicContact CB-CE2 3.92Å; F133-F365 HydrophobicContact CB-CG 4.37Å; F133-F365 HydrophobicContact CD1-CB 3.57Å; F133-F365 AromaticContact CD1-CD2 3.97Å; F133-F365 HydrophobicContact CD1-CD2 3.97Å; F133-F365 HydrophobicContact CD1-CG 4.16Å; F133-F365 HydrophobicContact CD2-CB 4.42Å; F133-F365 HydrophobicContact CD2-CD2 4Å; F133-F365 HydrophobicContact CE1-CB 3.77Å; F133-F365 HydrophobicContact CG-CB 3.94Å; F133-F365 AromaticContact CG-CD2 3.5Å; F133-F365 HydrophobicContact CG-CD2 3.5Å; F133-F365 HydrophobicContact CG-CE2 4.43Å; F133-F365 HydrophobicContact CG-CG 4.15Å; F133-F365 HydrophobicContact CZ-CB 4.29Å; F133-F365 VanDerWaalsContact CZ-N 3.3Å
134L81.9Confident79.4Confident0 Ų032.1 Ų32.10%017%0.174CC..Hα-helixtrans-61.3-32.8176.4-68.9177.8000111.6F130 L131 D132 I137 N138 K139 H140 L143 L356 C361F130-L134 HydrophobicContact CD1-CD1 4.03Å; F130-L134 HydrophobicContact CD2-CD1 4.48Å; F130-L134 HydrophobicContact CD2-CG 4.16Å; F130-L134 HydrophobicContact CE1-CD1 3.69Å; F130-L134 HydrophobicContact CE1-CG 4.3Å; F130-L134 HydrophobicContact CE2-CD1 4.17Å; F130-L134 HydrophobicContact CE2-CD2 3.88Å; F130-L134 HydrophobicContact CE2-CG 3.86Å; F130-L134 HydrophobicContact CG-CD1 4.41Å; F130-L134 HydrophobicContact CG-CG 4.49Å; F130-L134 HydrophobicContact CZ-CD1 3.77Å; F130-L134 HydrophobicContact CZ-CD2 3.91Å; F130-L134 HydrophobicContact CZ-CG 3.95Å; F130-L134 WeakPolarHBondContact O-CB 3.33Å; F130-L134 VanDerWaalsContact O-CG 3.29Å; F130-L134 WeakPolarHBondContact O-CG 3.28Å; F130-L134 PolarHBondContact O-N 3.2Å; L131-L134 CarbonylContact O-C 3.55Å; L131-L134 PolarHBondContact O-N 3.21Å; D132-L134 VanDerWaalsContact C-N 3.34Å; D132-L134 PolarHBondContact O-N 3.47Å; L134-I137 HydrophobicContact CD2-CD1 4.04Å; L134-I137 HydrophobicContact CD2-CG1 4.47Å; L134-I137 CarbonylContact O-C 3.57Å; L134-I137 WeakPolarHBondContact O-CG1 3.41Å; L134-I137 PolarHBondContact O-N 3.01Å; L134-N138 PolarHBondContact O-N 3.2Å; L134-K139 HydrophobicContact CB-CB 4.48Å; L134-K139 HydrophobicContact CD2-CB 4.07Å; L134-K139 PolarHBondContact O-N 2.85Å; L134-H140 HydrophobicContact CB-CB 4.19Å; L134-H140 PolarHBondContact O-N 3.4Å; L134-L143 HydrophobicContact CD1-CB 3.65Å; L134-L143 HydrophobicContact CD1-CD2 4.02Å; L134-L143 HydrophobicContact CD1-CG 4.46Å; L134-L356 HydrophobicContact CD1-CD2 3.64Å; L134-C361 HydrophobicContact CD2-CB 3.93Å
135A75.9Confident79.9Confident36 Ų3632.2 Ų32.230%0.29817%0.174SC..Hα-helixtrans-66.3-41174.500000111.2L131 D132 F133 I137 N138 H140L131-A135 WeakPolarHBondContact O-CB 3.42Å; L131-A135 PolarHBondContact O-N 2.59Å; D132-A135 WeakPolarHBondContact O-CB 3.39Å; D132-A135 PolarHBondContact O-N 2.79Å; D132-A135 VanDerWaalsContact O-N 3.15Å; F133-A135 PolarHBondContact O-N 3.01Å; A135-I137 PolarHBondContact O-N 2.95Å; A135-N138 PolarHBondContact O-N 3.13Å; A135-H140 HydrophobicContact CB-CB 3.95Å
136S81.4Confident80.4Confident74 Ų7432.9 Ų32.952%0.51718%0.175SC..Hα-helixtrans-62.1-23.2175.978.30000114D132 F133D132-S136 PolarHBondContact O-N 2.79Å; F133-S136 WeakPolarHBondContact O-CB 3.43Å; F133-S136 PolarHBondContact O-N 3.49Å; F133-S136 PolarHBondContact O-OG 3.35Å
137I85.1Confident80.3Confident60 Ų6033.2 Ų33.231%0.30818%0.177SC..THydrogen-bonded Turntrans-108.215174.865.9167.3000113.1F133 L134 A135 K139 D360F133-I137 HydrophobicContact CD1-CD1 4.44Å; F133-I137 HydrophobicContact CE1-CD1 3.67Å; F133-I137 HydrophobicContact CE1-CG1 4.35Å; F133-I137 HydrophobicContact CE2-CG2 4.44Å; F133-I137 HydrophobicContact CZ-CD1 4.04Å; F133-I137 HydrophobicContact CZ-CG2 4.21Å; F133-I137 PolarHBondContact O-N 3.36Å; L134-I137 HydrophobicContact CD2-CD1 4.04Å; L134-I137 HydrophobicContact CD2-CG1 4.47Å; L134-I137 CarbonylContact O-C 3.57Å; L134-I137 WeakPolarHBondContact O-CG1 3.41Å; L134-I137 PolarHBondContact O-N 3.01Å; A135-I137 PolarHBondContact O-N 2.95Å; I137-K139 HydrophobicContact CD1-CB 4.23Å; I137-K139 HydrophobicContact CD1-CD 3.83Å; I137-K139 HydrophobicContact CD1-CG 4.18Å; I137-K139 HydrophobicContact CG1-CB 4.1Å; I137-K139 HydrophobicContact CG1-CD 4.39Å; I137-K139 HydrophobicContact CG1-CG 4.19Å; I137-K139 PolarHBondContact O-N 3.46Å; I137-D360 WeakPolarHBondContact CD1-O 3.48Å
138N79.2Confident80.4Confident134 Ų13433.7 Ų33.772%0.71718%0.18SC*.THydrogen-bonded Turntrans55.627.6-179.9-65.1-39.5000115.8L134 A135L134-N138 PolarHBondContact O-N 3.2Å; A135-N138 PolarHBondContact O-N 3.13Å
139K81.7Confident80.8Confident65 Ų6532.6 Ų32.628%0.28317%0.173SC..  trans-110.39.3177.5-67.5-171.3-174.3174.80114.1L134 I137 S141 L142 C361L134-K139 HydrophobicContact CB-CB 4.48Å; L134-K139 HydrophobicContact CD2-CB 4.07Å; L134-K139 PolarHBondContact O-N 2.85Å; I137-K139 HydrophobicContact CD1-CB 4.23Å; I137-K139 HydrophobicContact CD1-CD 3.83Å; I137-K139 HydrophobicContact CD1-CG 4.18Å; I137-K139 HydrophobicContact CG1-CB 4.1Å; I137-K139 HydrophobicContact CG1-CD 4.39Å; I137-K139 HydrophobicContact CG1-CG 4.19Å; I137-K139 PolarHBondContact O-N 3.46Å; K139-S141 PolarHBondContact O-N 3.07Å; K139-L142 HydrophobicContact CB-CD1 4.26Å; K139-L142 WeakPolarHBondContact O-CB 3.47Å; K139-L142 PolarHBondContact O-N 2.96Å; K139-C361 VanDerWaalsContact CD-SG 3.58Å
140H77.2Confident80.8Confident48 Ų4831.8 Ų31.822%0.22217%0.168CC..Hα-helixtrans-63-25.1-176.163.1-94.8000113.8L131 L134 A135 L142 L143 R144L131-H140 HydrophobicContact CD1-CB 3.89Å; L134-H140 HydrophobicContact CB-CB 4.19Å; L134-H140 PolarHBondContact O-N 3.4Å; A135-H140 HydrophobicContact CB-CB 3.95Å; H140-L142 PolarHBondContact O-N 3.08Å; H140-L143 PolarHBondContact O-N 3.34Å; H140-R144 PolarHBondContact CD2-NH1 3.37Å; H140-R144 PolarHBondContact NE2-NH1 2.99Å; H140-R144 PolarHBondContact O-N 3.36Å; H140-R144 VanDerWaalsContact O-N 3.08Å
141S79Confident80.4Confident26 Ų2631.9 Ų31.918%0.18217%0.168CC..Hα-helixtrans-57.2-35176.752.40000112.2K139 R144 L145K139-S141 PolarHBondContact O-N 3.07Å; S141-R144 PolarHBondContact O-N 2.89Å; S141-L145 VanDerWaalsContact O-CB 3.31Å; S141-L145 WeakPolarHBondContact O-CB 3.42Å; S141-L145 PolarHBondContact O-N 3.02Å
142L83.2Confident80.6Confident15 Ų1531 Ų318%0.07916%0.163CC..Hα-helixtrans-63.8-43.1178.2-64.2170.7000112.5K139 H140 L145 Y146 M303 I355 L356K139-L142 HydrophobicContact CB-CD1 4.26Å; K139-L142 WeakPolarHBondContact O-CB 3.47Å; K139-L142 PolarHBondContact O-N 2.96Å; H140-L142 PolarHBondContact O-N 3.08Å; L142-L145 WeakPolarHBondContact O-CB 3.45Å; L142-L145 PolarHBondContact O-N 3.22Å; L142-Y146 PolarHBondContact O-N 3.47Å; L142-M303 HydrophobicContact CD2-SD 4.31Å; L142-I355 HydrophobicContact CD1-CG2 3.52Å; L142-L356 HydrophobicContact CB-CD2 3.85Å; L142-L356 HydrophobicContact CB-CG 4.49Å
143L83.7Confident81.2Confident0 Ų031.5 Ų31.50%016%0.163CC..Hα-helixtrans-72.4-38178.3-179.659.2000111.2M121 V127 F130 L131 L134 H140 L145 Y146 L147 L356M121-L143 HydrophobicContact CE-CD1 3.75Å; M121-L143 HydrophobicContact SD-CD1 4.21Å; V127-L143 HydrophobicContact CG1-CD2 4.29Å; F130-L143 HydrophobicContact CD1-CD2 3.86Å; L131-L143 HydrophobicContact CB-CD2 3.66Å; L131-L143 HydrophobicContact CD1-CB 4.04Å; L131-L143 HydrophobicContact CD1-CD2 3.84Å; L131-L143 HydrophobicContact CD1-CG 4.12Å; L131-L143 HydrophobicContact CG-CD2 4.34Å; L134-L143 HydrophobicContact CD1-CB 3.65Å; L134-L143 HydrophobicContact CD1-CD2 4.02Å; L134-L143 HydrophobicContact CD1-CG 4.46Å; H140-L143 PolarHBondContact O-N 3.34Å; L143-L145 VanDerWaalsContact C-N 3.26Å; L143-L145 PolarHBondContact O-N 2.93Å; L143-Y146 HydrophobicContact CD1-CD1 4.27Å; L143-Y146 WeakPolarHBondContact O-CB 3.37Å; L143-Y146 PolarHBondContact O-N 2.95Å; L143-L147 HydrophobicContact CG-CD1 4.45Å; L143-L147 WeakPolarHBondContact O-CG 3.32Å; L143-L147 PolarHBondContact O-N 3.31Å; L143-L356 HydrophobicContact CB-CD2 4.14Å; L143-L356 HydrophobicContact CD1-CD1 4.1Å
144R80.6Confident80.8Confident98 Ų9831.9 Ų31.937%0.3717%0.165SC..Hα-helixtrans-60-39.5171.3-70.2-168.9-177.2128.510.2111.8L131 H140 S141 L147 N148L131-R144 HydrophobicContact CD1-CG 4.17Å; H140-R144 PolarHBondContact CD2-NH1 3.37Å; H140-R144 PolarHBondContact NE2-NH1 2.99Å; H140-R144 PolarHBondContact O-N 3.36Å; H140-R144 VanDerWaalsContact O-N 3.08Å; S141-R144 PolarHBondContact O-N 2.89Å; R144-L147 PolarHBondContact O-N 2.79Å; R144-N148 VanDerWaalsContact O-CG 3.26Å; R144-N148 PolarHBondContact O-N 3.32Å; R144-N148 PolarHBondContact O-ND2 3.42Å
145L82.3Confident80.7Confident5 Ų532.3 Ų32.33%0.02617%0.169CC..Hα-helixtrans-64.6-44.3177.3-163.658.9000111.9S141 L142 L143 L147 N148 C149 I295 N298 L299 M303 I352S141-L145 VanDerWaalsContact O-CB 3.31Å; S141-L145 WeakPolarHBondContact O-CB 3.42Å; S141-L145 PolarHBondContact O-N 3.02Å; L142-L145 WeakPolarHBondContact O-CB 3.45Å; L142-L145 PolarHBondContact O-N 3.22Å; L143-L145 VanDerWaalsContact C-N 3.26Å; L143-L145 PolarHBondContact O-N 2.93Å; L145-L147 PolarHBondContact O-N 3.23Å; L145-N148 PolarHBondContact O-N 2.66Å; L145-C149 PolarHBondContact O-N 3.28Å; L145-C149 VanDerWaalsContact O-N 3.08Å; L145-C149 PolarHBondContact O-SG 3.26Å; L145-I295 HydrophobicContact CD1-CG2 4.11Å; L145-N298 HydrophobicContact CD1-CB 4Å; L145-L299 HydrophobicContact CD1-CD2 4.22Å; L145-L299 HydrophobicContact CD1-CG 3.99Å; L145-L299 HydrophobicContact CD2-CB 4.49Å; L145-L299 HydrophobicContact CD2-CD2 3.23Å; L145-L299 HydrophobicContact CD2-CG 3.8Å; L145-L299 HydrophobicContact CG-CD2 3.7Å; L145-L299 HydrophobicContact CG-CG 4.05Å; L145-M303 HydrophobicContact CD2-CG 4.42Å; L145-M303 HydrophobicContact CD2-SD 4.29Å; L145-I352 HydrophobicContact CB-CD1 4.48Å; L145-I352 HydrophobicContact CD2-CD1 4.27Å; L145-I352 HydrophobicContact CG-CD1 4.1Å
146Y83.7Confident80.9Confident28 Ų2830.8 Ų30.811%0.1116%0.156CC..Hα-helixtrans-55.8-50.1170.7174-93.6000111.6M121 L142 L143 N148 C149 V150 V353 L356M121-Y146 HydrophobicContact CE-CD1 3.38Å; M121-Y146 HydrophobicContact CE-CE1 3.04Å; M121-Y146 HydrophobicContact CE-CG 4.29Å; L142-Y146 PolarHBondContact O-N 3.47Å; L143-Y146 HydrophobicContact CD1-CD1 4.27Å; L143-Y146 WeakPolarHBondContact O-CB 3.37Å; L143-Y146 PolarHBondContact O-N 2.95Å; Y146-N148 VanDerWaalsContact C-N 3.3Å; Y146-N148 PolarHBondContact O-N 2.95Å; Y146-C149 WeakPolarHBondContact O-CB 3.03Å; Y146-C149 PolarHBondContact O-N 2.98Å; Y146-C149 VanDerWaalsContact O-N 3.12Å; Y146-V150 HydrophobicContact CD1-CG2 4.11Å; Y146-V150 HydrophobicContact CE1-CG2 3.58Å; Y146-V150 HydrophobicContact CE2-CG2 4.23Å; Y146-V150 WeakPolarHBondContact O-CG2 3.34Å; Y146-V150 PolarHBondContact O-N 3Å; Y146-V353 HydrophobicContact CD2-CG2 3.88Å; Y146-V353 HydrophobicContact CE2-CG2 3.66Å; Y146-L356 HydrophobicContact CG-CD1 4.47Å
147L81.5Confident80.7Confident7 Ų728 Ų284%0.03714%0.137CC..Hα-helixtrans-61.7-37179.9-70.4175.6000112.2V127 L143 R144 L145 V150 S151 V173 A177V127-L147 HydrophobicContact CG1-CD1 4.44Å; V127-L147 HydrophobicContact CG1-CD2 4.41Å; L143-L147 HydrophobicContact CG-CD1 4.45Å; L143-L147 WeakPolarHBondContact O-CG 3.32Å; L143-L147 PolarHBondContact O-N 3.31Å; R144-L147 PolarHBondContact O-N 2.79Å; L145-L147 PolarHBondContact O-N 3.23Å; L147-V150 PolarHBondContact O-N 3.24Å; L147-S151 VanDerWaalsContact O-CB 3.31Å; L147-S151 WeakPolarHBondContact O-CB 3.48Å; L147-S151 PolarHBondContact O-N 2.78Å; L147-V173 HydrophobicContact CD2-CG1 4.42Å; L147-A177 HydrophobicContact CB-CB 4.45Å; L147-A177 HydrophobicContact CD2-CB 4.34Å; L147-A177 VanDerWaalsContact O-CB 3.31Å; L147-A177 WeakPolarHBondContact O-CB 3.45Å
148N82Confident80.2Confident12 Ų1231.1 Ų31.16%0.06415%0.148CC..Hα-helixtrans-64.3-39.4174-72.7-18.3000112.3R144 L145 Y146 S151 F152 S180 F291 I295R144-N148 VanDerWaalsContact O-CG 3.26Å; R144-N148 PolarHBondContact O-N 3.32Å; R144-N148 PolarHBondContact O-ND2 3.42Å; L145-N148 PolarHBondContact O-N 2.66Å; Y146-N148 VanDerWaalsContact C-N 3.3Å; Y146-N148 PolarHBondContact O-N 2.95Å; N148-S151 WeakPolarHBondContact O-CB 3.04Å; N148-S151 PolarHBondContact O-N 3.33Å; N148-F152 PolarHBondContact O-N 3.05Å; N148-S180 VanDerWaalsContact OD1-C 3.3Å; N148-S180 VanDerWaalsContact OD1-CB 3.28Å; N148-S180 WeakPolarHBondContact OD1-CB 3.07Å; N148-S180 PolarHBondContact OD1-O 3Å; N148-S180 PolarHBondContact OD1-OG 2.93Å; N148-F291 HydrophobicContact CB-CZ 3.99Å; N148-I295 HydrophobicContact CB-CD1 4.02Å; N148-I295 HydrophobicContact CB-CG1 4.01Å; N148-I295 WeakPolarHBondContact O-CD1 3.37Å
149C83.3Confident79.9Confident0 Ų028 Ų280%013%0.132CC..Hα-helixtrans-64.8-45.3176.1-58.20000111.1L145 Y146 S151 F152 R153 F330 E334L145-C149 PolarHBondContact O-N 3.28Å; L145-C149 VanDerWaalsContact O-N 3.08Å; L145-C149 PolarHBondContact O-SG 3.26Å; Y146-C149 WeakPolarHBondContact O-CB 3.03Å; Y146-C149 PolarHBondContact O-N 2.98Å; Y146-C149 VanDerWaalsContact O-N 3.12Å; C149-S151 VanDerWaalsContact C-N 3.3Å; C149-S151 PolarHBondContact O-N 2.88Å; C149-F152 WeakPolarHBondContact O-CB 3.33Å; C149-F152 PolarHBondContact O-N 2.91Å; C149-R153 PolarHBondContact O-N 3.29Å; C149-F330 HydrophobicContact CB-CB 3.93Å; C149-F330 HydrophobicContact CB-CG 4.15Å; C149-E334 HydrophobicContact CB-CG 3.54Å; C149-E334 WeakPolarHBondContact CB-OE1 3.46Å
150V78.7Confident79.5Confident2 Ų228.1 Ų28.11%0.01214%0.135CC..Hα-helixtrans-57.8-43.3173.3174.80000111.4Y146 L147 R153 E154 I169 L174 A177Y146-V150 HydrophobicContact CD1-CG2 4.11Å; Y146-V150 HydrophobicContact CE1-CG2 3.58Å; Y146-V150 HydrophobicContact CE2-CG2 4.23Å; Y146-V150 WeakPolarHBondContact O-CG2 3.34Å; Y146-V150 PolarHBondContact O-N 3Å; L147-V150 PolarHBondContact O-N 3.24Å; V150-R153 PolarHBondContact O-N 2.72Å; V150-E154 PolarHBondContact O-N 3.49Å; V150-I169 HydrophobicContact CG1-CD1 3.93Å; V150-I169 HydrophobicContact CG2-CD1 4.41Å; V150-L174 HydrophobicContact CG1-CD2 3.89Å; V150-A177 HydrophobicContact CB-CB 4.17Å; V150-A177 HydrophobicContact CG1-CB 3.97Å
151S77Confident78Confident1 Ų129.2 Ų29.21%0.00715%0.146CC..Hα-helixtrans-62.4-42.1178.2-164.40000112.5L147 N148 C149 E154 G155 A177 E178 R181L147-S151 VanDerWaalsContact O-CB 3.31Å; L147-S151 WeakPolarHBondContact O-CB 3.48Å; L147-S151 PolarHBondContact O-N 2.78Å; N148-S151 WeakPolarHBondContact O-CB 3.04Å; N148-S151 PolarHBondContact O-N 3.33Å; C149-S151 VanDerWaalsContact C-N 3.3Å; C149-S151 PolarHBondContact O-N 2.88Å; S151-E154 PolarHBondContact O-N 3.34Å; S151-G155 PolarHBondContact O-N 3.39Å; S151-A177 WeakPolarHBondContact CB-O 3.15Å; S151-A177 PolarHBondContact OG-O 3.17Å; S151-E178 WeakPolarHBondContact OG-CA 3.17Å; S151-R181 VanDerWaalsContact OG-CB 3.31Å; S151-R181 WeakPolarHBondContact OG-CB 2.79Å
152F83.8Confident76.6Confident0 Ų035.4 Ų35.40%018%0.177CC..Hα-helixtrans-61.5-50174.6173.7-87.1000111N148 C149 E154 G155 V156 L288 F291 I295 L318 L325 F330N148-F152 PolarHBondContact O-N 3.05Å; C149-F152 WeakPolarHBondContact O-CB 3.33Å; C149-F152 PolarHBondContact O-N 2.91Å; F152-E154 VanDerWaalsContact C-N 3.31Å; F152-E154 PolarHBondContact O-N 2.99Å; F152-G155 PolarHBondContact O-N 3.15Å; F152-V156 HydrophobicContact CD1-CG2 4.23Å; F152-V156 HydrophobicContact CE1-CG2 3.82Å; F152-V156 HydrophobicContact CE2-CG2 4.15Å; F152-V156 HydrophobicContact CZ-CG2 3.79Å; F152-V156 WeakPolarHBondContact O-CG2 3.19Å; F152-V156 PolarHBondContact O-N 2.95Å; F152-L288 VanDerWaalsContact CE2-O 3.29Å; F152-L288 WeakPolarHBondContact CE2-O 3.28Å; F152-F291 HydrophobicContact CB-CD1 4.14Å; F152-F291 HydrophobicContact CB-CE1 3.88Å; F152-F291 HydrophobicContact CD2-CD1 4.15Å; F152-I295 HydrophobicContact CB-CD1 3.92Å; F152-L318 HydrophobicContact CE1-CD2 4.16Å; F152-L318 HydrophobicContact CE2-CD2 3.82Å; F152-L318 HydrophobicContact CZ-CD2 3.34Å; F152-L325 HydrophobicContact CE2-CD2 3.75Å; F152-L325 HydrophobicContact CZ-CD2 3.71Å; F152-F330 HydrophobicContact CB-CD2 4.34Å; F152-F330 HydrophobicContact CB-CE2 4.19Å; F152-F330 AromaticContact CD1-CD2 3.45Å; F152-F330 HydrophobicContact CD1-CD2 3.45Å; F152-F330 VanDerWaalsContact CD1-CD2 3.45Å; F152-F330 AromaticContact CD1-CE2 3.49Å; F152-F330 HydrophobicContact CD1-CE2 3.49Å; F152-F330 VanDerWaalsContact CD1-CE2 3.49Å; F152-F330 HydrophobicContact CD2-CE2 4.02Å; F152-F330 AromaticContact CE1-CD2 3.86Å; F152-F330 HydrophobicContact CE1-CD2 3.86Å; F152-F330 AromaticContact CE1-CE2 3.75Å; F152-F330 HydrophobicContact CE1-CE2 3.75Å; F152-F330 HydrophobicContact CE2-CE2 4.24Å; F152-F330 AromaticContact CG-CD2 3.95Å; F152-F330 HydrophobicContact CG-CD2 3.95Å; F152-F330 AromaticContact CG-CE2 3.62Å; F152-F330 HydrophobicContact CG-CE2 3.62Å; F152-F330 HydrophobicContact CZ-CE2 4.12Å
153R80.4Confident74.8Confident39 Ų3936.4 Ų36.415%0.14719%0.188CC..Hα-helixtrans-57.5-45.2178.9176175.663.8-129.8-13111.8C149 V150 V156 S157 I169 P327 E334C149-R153 PolarHBondContact O-N 3.29Å; V150-R153 PolarHBondContact O-N 2.72Å; R153-V156 PolarHBondContact O-N 3.25Å; R153-S157 VanDerWaalsContact O-CB 3.31Å; R153-S157 WeakPolarHBondContact O-CB 3.5Å; R153-S157 PolarHBondContact O-N 3.05Å; R153-S157 PolarHBondContact O-OG 2.85Å; R153-I169 VanDerWaalsContact NH2-CD1 3.3Å; R153-P327 WeakPolarHBondContact CB-O 3.14Å; R153-P327 HydrophobicContact CG-CB 4.27Å; R153-P327 VanDerWaalsContact CG-O 3.28Å; R153-P327 WeakPolarHBondContact CG-O 3.45Å; R153-E334 IonicContact CZ-OE2 2.62Å; R153-E334 IonicContact NH1-OE1 3.92Å; R153-E334 IonicContact NH1-OE2 3.92Å; R153-E334 PolarHBondContact NH1-OE2 2.75Å; R153-E334 IonicContact NH2-OE2 2.64Å; R153-E334 PolarHBondContact NH2-OE2 2.98Å
154E76Confident72.8Confident19 Ų1942.7 Ų42.79%0.08923%0.226CC..Hα-helixtrans-64-44.7178.5-177.160.2-160.400111.2V150 S151 F152 V156 S157 K158 L174V150-E154 PolarHBondContact O-N 3.49Å; S151-E154 PolarHBondContact O-N 3.34Å; F152-E154 VanDerWaalsContact C-N 3.31Å; F152-E154 PolarHBondContact O-N 2.99Å; E154-V156 PolarHBondContact O-N 2.84Å; E154-S157 PolarHBondContact O-N 2.83Å; E154-K158 WeakPolarHBondContact O-CG 3.44Å; E154-K158 PolarHBondContact O-N 3.02Å; E154-K158 WeakPolarHBondContact OE1-CE 3.44Å; E154-K158 IonicContact OE1-NZ 2.76Å; E154-L174 HydrophobicContact CB-CD2 4.45Å; E154-L174 HydrophobicContact CG-CD2 4.4Å
155G78.5Confident71.2Confident9 Ų941.8 Ų41.89%0.09323%0.228CC..Hα-helixtrans-57.6-44.9176.500000113S151 F152S151-G155 PolarHBondContact O-N 3.39Å; F152-G155 PolarHBondContact O-N 3.15Å
156V80.3Confident69.5Low4 Ų447.2 Ų47.22%0.02426%0.257CS..Hα-helixtrans-69.3-40.9176.3179.30000111.3F152 R153 E154 K158 L159 I160 L288 L325 P327F152-V156 HydrophobicContact CD1-CG2 4.23Å; F152-V156 HydrophobicContact CE1-CG2 3.82Å; F152-V156 HydrophobicContact CE2-CG2 4.15Å; F152-V156 HydrophobicContact CZ-CG2 3.79Å; F152-V156 WeakPolarHBondContact O-CG2 3.19Å; F152-V156 PolarHBondContact O-N 2.95Å; R153-V156 PolarHBondContact O-N 3.25Å; E154-V156 PolarHBondContact O-N 2.84Å; V156-K158 VanDerWaalsContact C-N 3.27Å; V156-K158 PolarHBondContact O-N 3.23Å; V156-L159 WeakPolarHBondContact O-CB 3.3Å; V156-L159 PolarHBondContact O-N 3.19Å; V156-I160 HydrophobicContact CG1-CD1 4.31Å; V156-I160 PolarHBondContact O-N 3.28Å; V156-L288 HydrophobicContact CG2-CD1 4.1Å; V156-L325 HydrophobicContact CG1-CB 3.92Å; V156-L325 WeakPolarHBondContact CG1-O 3.49Å; V156-L325 HydrophobicContact CG2-CB 4.02Å; V156-L325 HydrophobicContact CG2-CD2 3.81Å; V156-P327 HydrophobicContact CB-CB 4.02Å; V156-P327 HydrophobicContact CG1-CB 3.79Å; V156-P327 HydrophobicContact CG1-CG 4.32Å
157S77.6Confident67.7Low17 Ų1754.4 Ų54.412%0.11929%0.292CS..Hα-helixtrans-61.9-34.6179.9-59.60000112.4R153 E154 L159 I160R153-S157 VanDerWaalsContact O-CB 3.31Å; R153-S157 WeakPolarHBondContact O-CB 3.5Å; R153-S157 PolarHBondContact O-N 3.05Å; R153-S157 PolarHBondContact O-OG 2.85Å; E154-S157 PolarHBondContact O-N 2.83Å; S157-L159 VanDerWaalsContact C-N 3.25Å; S157-L159 PolarHBondContact O-N 3.35Å; S157-I160 PolarHBondContact O-N 3.12Å
158K74.9Confident66.4Low124 Ų12460 Ų6054%0.53932%0.321SS..Hα-helixtrans-65.6-24.7175-74.6176.7-179.8-178.80113.9E154 V156 E178E154-K158 WeakPolarHBondContact O-CG 3.44Å; E154-K158 PolarHBondContact O-N 3.02Å; E154-K158 WeakPolarHBondContact OE1-CE 3.44Å; E154-K158 IonicContact OE1-NZ 2.76Å; V156-K158 VanDerWaalsContact C-N 3.27Å; V156-K158 PolarHBondContact O-N 3.23Å; K158-E178 IonicContact NZ-OE1 3.69Å; K158-E178 PolarHBondContact NZ-OE1 3.22Å
159L73Confident65.5Low69 Ų6961 Ų6136%0.36133%0.327SS..Hα-helixtrans-82.7-14.7175.7-65.7174.4000112.7V156 S157 P161 I285 L288V156-L159 WeakPolarHBondContact O-CB 3.3Å; V156-L159 PolarHBondContact O-N 3.19Å; S157-L159 VanDerWaalsContact C-N 3.25Å; S157-L159 PolarHBondContact O-N 3.35Å; L159-P161 WeakPolarHBondContact O-CD 3.42Å; L159-I285 HydrophobicContact CD1-CG1 3.95Å; L159-L288 HydrophobicContact CD1-CD1 3.47Å; L159-L288 VanDerWaalsContact CD1-CD1 3.47Å; L159-L288 HydrophobicContact CG-CD1 4.41Å
160I71.9Confident64.4Low68 Ų6863 Ų6335%0.34934%0.337SS..SBendtrans-93.4112.1-178.9-59.2168.2000109.5V156 S157 N162 A163 P327V156-I160 HydrophobicContact CG1-CD1 4.31Å; V156-I160 PolarHBondContact O-N 3.28Å; S157-I160 PolarHBondContact O-N 3.12Å; I160-N162 PolarHBondContact O-N 3.13Å; I160-A163 HydrophobicContact CB-CB 3.87Å; I160-A163 HydrophobicContact CG2-CB 3.85Å; I160-A163 PolarHBondContact O-N 2.9Å; I160-P327 HydrophobicContact CD1-CB 4.5Å; I160-P327 HydrophobicContact CD1-CG 3.81Å
161P47.4Very low63.7Low71 Ų7167.6 Ų67.646%0.46137%0.367SS..THydrogen-bonded Turntrans-66.2125172.412.7-7.3000109.5L159 I272L159-P161 WeakPolarHBondContact O-CD 3.42Å; P161-I272 HydrophobicContact CB-CD1 4.34Å; P161-I272 HydrophobicContact CG-CD1 3.31Å; P161-I272 HydrophobicContact CG-CG1 4.36Å
162N48.5Very low63Low155 Ų15568.3 Ų68.383%0.82937%0.372SS*.THydrogen-bonded Turntrans75.416.6-177.8-53.2-28.1000117I160 T164I160-N162 PolarHBondContact O-N 3.13Å; N162-T164 PolarHBondContact O-N 3.22Å
163A46.3Very low62.1Low37 Ų3768.4 Ų68.431%0.30637%0.373SS..  trans-61.6122.8166.300000110.2I160 I165I160-A163 HydrophobicContact CB-CB 3.87Å; I160-A163 HydrophobicContact CG2-CB 3.85Å; I160-A163 PolarHBondContact O-N 2.9Å; A163-I165 PolarHBondContact O-N 3Å
164T40.9Very low61.5Low132 Ų13267.9 Ų67.981%0.8137%0.373SS*.  trans-71.296.8168-39.60000106.3N162 N166N162-T164 PolarHBondContact O-N 3.22Å; T164-N166 PolarHBondContact O-N 3.43Å
165I47Very low60.9Low79 Ų7968.2 Ų68.241%0.40538%0.378SS..  trans-54.8125.3173-59.6172.6000106.3A163 Q167A163-I165 PolarHBondContact O-N 3Å; I165-Q167 VanDerWaalsContact C-N 3.31Å; I165-Q167 WeakPolarHBondContact O-CG 3.33Å; I165-Q167 PolarHBondContact O-N 3.29Å
166N46.3Very low60.3Low118 Ų11868.4 Ų68.463%0.63138%0.377SS*.  trans-58.799.3170.2-89.5-33000107.4T164 N168T164-N166 PolarHBondContact O-N 3.43Å; N166-N168 PolarHBondContact O-N 2.95Å
167Q47.2Very low59.6Low180 Ų18068.2 Ų68.284%0.84138%0.376SS*.THydrogen-bonded Turntrans-66.116.9-175.1-66.5-179.5-1400113.9I165I165-Q167 VanDerWaalsContact C-N 3.31Å; I165-Q167 WeakPolarHBondContact O-CG 3.33Å; I165-Q167 PolarHBondContact O-N 3.29Å
168N53.1Low59Low123 Ų12368.6 Ų68.666%0.65838%0.376SS*.THydrogen-bonded Turntrans-87.6-14.5-173.6-71.1-7.8000113.5N166N166-N168 PolarHBondContact O-N 2.95Å
169I63.2Low58.4Low35 Ų3562.9 Ų62.918%0.17935%0.352CS..SBendtrans-104.4126.6179.8-55178.9000108.6V150 R153 V173 L174V150-I169 HydrophobicContact CG1-CD1 3.93Å; V150-I169 HydrophobicContact CG2-CD1 4.41Å; R153-I169 VanDerWaalsContact NH2-CD1 3.3Å; I169-V173 HydrophobicContact CG2-CB 3.85Å; I169-V173 HydrophobicContact CG2-CG1 3.83Å; I169-L174 HydrophobicContact CB-CD2 4.23Å; I169-L174 HydrophobicContact CB-CG 4.4Å; I169-L174 HydrophobicContact CG2-CD2 3.9Å; I169-L174 HydrophobicContact CG2-CG 3.97Å
170D61Low57.9Low40 Ų4060.2 Ų60.221%0.21434%0.339CS..  trans-62139.2179.9-174.2-74.8000111.2T122 S172 V173 L174 Q807T122-D170 WeakPolarHBondContact O-CB 3.36Å; D170-S172 PolarHBondContact O-N 3.17Å; D170-S172 VanDerWaalsContact O-N 3.08Å; D170-S172 WeakPolarHBondContact OD1-CB 3.07Å; D170-S172 PolarHBondContact OD1-N 3.01Å; D170-S172 PolarHBondContact OD1-OG 3.2Å; D170-V173 HydrophobicContact CB-CG2 4.31Å; D170-V173 PolarHBondContact O-N 3.37Å; D170-L174 PolarHBondContact O-N 3Å; D170-L174 VanDerWaalsContact O-N 3.08Å; D170-Q807 PolarHBondContact OD2-NE2 3Å
171P62.8Low57.5Low100 Ų10059 Ų5965%0.64933%0.33SS*.Hα-helixtrans-52.3-31.6178-27.735000114.5L174 A175P171-L174 PolarHBondContact O-N 3.23Å; P171-A175 PolarHBondContact O-N 2.89Å
172S62Low58.1Low16 Ų1658.9 Ų58.911%0.11232%0.324CS..Hα-helixtrans-70.1-32.3177.267.10000112.8S124 D170 L176S124-S172 WeakPolarHBondContact CB-OG 3.44Å; S124-S172 WeakPolarHBondContact OG-CB 3.45Å; S124-S172 PolarHBondContact OG-OG 3.48Å; D170-S172 PolarHBondContact O-N 3.17Å; D170-S172 VanDerWaalsContact O-N 3.08Å; D170-S172 WeakPolarHBondContact OD1-CB 3.07Å; D170-S172 PolarHBondContact OD1-N 3.01Å; D170-S172 PolarHBondContact OD1-OG 3.2Å; S172-L176 PolarHBondContact O-N 3.29Å
173V66.4Low58.4Low2 Ų255.6 Ų55.61%0.01230%0.304CS..Hα-helixtrans-75.3-36.2173.41790000110.8V127 L147 I169 D170 A175 L176 A177V127-V173 HydrophobicContact CG2-CG1 4.39Å; V127-V173 HydrophobicContact CG2-CG2 4.16Å; L147-V173 HydrophobicContact CD2-CG1 4.42Å; I169-V173 HydrophobicContact CG2-CB 3.85Å; I169-V173 HydrophobicContact CG2-CG1 3.83Å; D170-V173 HydrophobicContact CB-CG2 4.31Å; D170-V173 PolarHBondContact O-N 3.37Å; V173-A175 VanDerWaalsContact C-N 3.31Å; V173-A175 PolarHBondContact O-N 3.37Å; V173-L176 WeakPolarHBondContact O-CB 3.48Å; V173-L176 PolarHBondContact O-N 3.05Å; V173-A177 PolarHBondContact O-N 3.31Å
174L66.4Low58.8Low28 Ų2855.2 Ų55.215%0.14730%0.301CS..Hα-helixtrans-61.6-40.8171.9-67.1175.2000111.5V150 E154 I169 D170 P171 L176 A177 E178V150-L174 HydrophobicContact CG1-CD2 3.89Å; E154-L174 HydrophobicContact CB-CD2 4.45Å; E154-L174 HydrophobicContact CG-CD2 4.4Å; I169-L174 HydrophobicContact CB-CD2 4.23Å; I169-L174 HydrophobicContact CB-CG 4.4Å; I169-L174 HydrophobicContact CG2-CD2 3.9Å; I169-L174 HydrophobicContact CG2-CG 3.97Å; D170-L174 PolarHBondContact O-N 3Å; D170-L174 VanDerWaalsContact O-N 3.08Å; P171-L174 PolarHBondContact O-N 3.23Å; L174-L176 VanDerWaalsContact C-N 3.34Å; L174-L176 PolarHBondContact O-N 2.88Å; L174-A177 WeakPolarHBondContact O-CB 3.25Å; L174-A177 PolarHBondContact O-N 3.06Å; L174-A177 VanDerWaalsContact O-N 3.15Å; L174-E178 PolarHBondContact O-N 2.85Å
175A64.9Low59.2Low25 Ų2554.3 Ų54.321%0.20729%0.29CS..Hα-helixtrans-59.9-43.6173.600000111.7P171 V173 A177 E178 A179 I728P171-A175 PolarHBondContact O-N 2.89Å; V173-A175 VanDerWaalsContact C-N 3.31Å; V173-A175 PolarHBondContact O-N 3.37Å; A175-A177 VanDerWaalsContact C-N 3.31Å; A175-A177 PolarHBondContact O-N 3.13Å; A175-E178 PolarHBondContact O-N 3.43Å; A175-A179 PolarHBondContact O-N 2.96Å; A175-I728 WeakPolarHBondContact O-CD1 3.47Å
176L64.6Low59.1Low13 Ų1354.2 Ų54.27%0.06830%0.296CS..Hα-helixtrans-60.4-39174-70.4170.1000112.5V127 V128 S172 V173 L174 A179 S180V127-L176 HydrophobicContact CB-CD1 4.43Å; V127-L176 HydrophobicContact CG1-CD1 4.37Å; V128-L176 HydrophobicContact CG2-CD1 4.01Å; V128-L176 HydrophobicContact CG2-CD2 4.22Å; S172-L176 PolarHBondContact O-N 3.29Å; V173-L176 WeakPolarHBondContact O-CB 3.48Å; V173-L176 PolarHBondContact O-N 3.05Å; L174-L176 VanDerWaalsContact C-N 3.34Å; L174-L176 PolarHBondContact O-N 2.88Å; L176-A179 WeakPolarHBondContact O-CB 3.46Å; L176-A179 PolarHBondContact O-N 3.46Å; L176-S180 PolarHBondContact O-N 3.2Å; L176-S180 VanDerWaalsContact O-N 3.07Å
177A66.1Low58.6Low1 Ų151.9 Ų51.91%0.00829%0.289CS..Hα-helixtrans-66.1-45176.600000112.4L147 V150 S151 V173 L174 A175 A179 S180 R181L147-A177 HydrophobicContact CB-CB 4.45Å; L147-A177 HydrophobicContact CD2-CB 4.34Å; L147-A177 VanDerWaalsContact O-CB 3.31Å; L147-A177 WeakPolarHBondContact O-CB 3.45Å; V150-A177 HydrophobicContact CB-CB 4.17Å; V150-A177 HydrophobicContact CG1-CB 3.97Å; S151-A177 WeakPolarHBondContact CB-O 3.15Å; S151-A177 PolarHBondContact OG-O 3.17Å; V173-A177 PolarHBondContact O-N 3.31Å; L174-A177 WeakPolarHBondContact O-CB 3.25Å; L174-A177 PolarHBondContact O-N 3.06Å; L174-A177 VanDerWaalsContact O-N 3.15Å; A175-A177 VanDerWaalsContact C-N 3.31Å; A175-A177 PolarHBondContact O-N 3.13Å; A177-A179 PolarHBondContact O-N 3.09Å; A177-S180 PolarHBondContact O-N 3.5Å; A177-R181 PolarHBondContact O-N 2.69Å
178E65.9Low57.6Low25 Ų2551 Ų5112%0.11729%0.291CS..Hα-helixtrans-59.8-34.7173.8-72.1-176.116200112.3S151 K158 L174 A175 R181 M182S151-E178 WeakPolarHBondContact OG-CA 3.17Å; K158-E178 IonicContact NZ-OE1 3.69Å; K158-E178 PolarHBondContact NZ-OE1 3.22Å; L174-E178 PolarHBondContact O-N 2.85Å; A175-E178 PolarHBondContact O-N 3.43Å; E178-R181 WeakPolarHBondContact O-CB 3.39Å; E178-R181 PolarHBondContact O-N 2.91Å; E178-M182 PolarHBondContact O-N 3.19Å
179A61.9Low56.4Low4 Ų452.5 Ų52.53%0.03330%0.295CS..Hα-helixtrans-62.9-50.417400000113.9A175 L176 A177 R181 M182 E183 I724 I728A175-A179 PolarHBondContact O-N 2.96Å; L176-A179 WeakPolarHBondContact O-CB 3.46Å; L176-A179 PolarHBondContact O-N 3.46Å; A177-A179 PolarHBondContact O-N 3.09Å; A179-R181 PolarHBondContact O-N 2.84Å; A179-M182 WeakPolarHBondContact O-CB 3.4Å; A179-M182 PolarHBondContact O-N 3.41Å; A179-E183 PolarHBondContact O-N 2.92Å; A179-E183 VanDerWaalsContact O-N 3.1Å; A179-I724 HydrophobicContact CB-CG2 3.12Å; A179-I728 HydrophobicContact CB-CD1 3.07Å; A179-I728 HydrophobicContact CB-CG1 3.59Å
180S62.6Low54.6Low13 Ų1354.9 Ų54.99%0.09132%0.315CS..Hα-helixtrans-55.7-37.2179.9-174.40000110.7N148 L176 A177 E183 A184N148-S180 VanDerWaalsContact OD1-C 3.3Å; N148-S180 VanDerWaalsContact OD1-CB 3.28Å; N148-S180 WeakPolarHBondContact OD1-CB 3.07Å; N148-S180 PolarHBondContact OD1-O 3Å; N148-S180 PolarHBondContact OD1-OG 2.93Å; L176-S180 PolarHBondContact O-N 3.2Å; L176-S180 VanDerWaalsContact O-N 3.07Å; A177-S180 PolarHBondContact O-N 3.5Å; S180-E183 PolarHBondContact O-N 3.49Å; S180-A184 PolarHBondContact O-N 3.41Å
181R63.9Low52.9Low42 Ų4259.9 Ų59.916%0.15835%0.347CS..Hα-helixtrans-62.6-43.5172.5175.9175.473.3153.83113.1S151 A177 E178 A179 E183 A184 I185 F291S151-R181 VanDerWaalsContact OG-CB 3.31Å; S151-R181 WeakPolarHBondContact OG-CB 2.79Å; A177-R181 PolarHBondContact O-N 2.69Å; E178-R181 WeakPolarHBondContact O-CB 3.39Å; E178-R181 PolarHBondContact O-N 2.91Å; A179-R181 PolarHBondContact O-N 2.84Å; R181-E183 VanDerWaalsContact C-N 3.33Å; R181-E183 PolarHBondContact O-N 2.96Å; R181-A184 PolarHBondContact O-N 3.08Å; R181-I185 HydrophobicContact CG-CD1 4.01Å; R181-I185 WeakPolarHBondContact O-CG1 3.4Å; R181-I185 PolarHBondContact O-N 2.53Å; R181-I185 VanDerWaalsContact O-N 3.16Å; R181-F291 HydrophobicContact CB-CE1 4.09Å; R181-F291 HydrophobicContact CB-CE2 3.94Å; R181-F291 HydrophobicContact CB-CZ 3.55Å; R181-F291 VanDerWaalsContact CD-CE1 3.48Å; R181-F291 HydrophobicContact CG-CD1 4.07Å; R181-F291 HydrophobicContact CG-CD2 3.94Å; R181-F291 HydrophobicContact CG-CE1 3.71Å; R181-F291 HydrophobicContact CG-CE2 3.59Å; R181-F291 HydrophobicContact CG-CG 4.18Å; R181-F291 HydrophobicContact CG-CZ 3.46Å; R181-F291 VanDerWaalsContact CG-CZ 3.46Å
182M58.4Low51Low68 Ų6860.2 Ų60.234%0.33535%0.348SS..Hα-helixtrans-66.6-32.9179.8-73.5-67.5-178.800112.8E178 A179 S186 F732E178-M182 PolarHBondContact O-N 3.19Å; A179-M182 WeakPolarHBondContact O-CB 3.4Å; A179-M182 PolarHBondContact O-N 3.41Å; M182-S186 WeakPolarHBondContact O-CB 3.39Å; M182-S186 PolarHBondContact O-N 2.8Å; M182-S186 VanDerWaalsContact O-N 3.11Å; M182-F732 HydrophobicContact CE-CE1 4.32Å; M182-F732 HydrophobicContact CE-CE2 3.66Å; M182-F732 HydrophobicContact CE-CZ 3.32Å
183E55.4Low49.2Very low87 Ų8766 Ų6641%0.40738%0.375SS..Hα-helixtrans-66.7-41.3172.1-69.7-168.415200112A179 S180 R181 I185 S186 S187 I724A179-E183 PolarHBondContact O-N 2.92Å; A179-E183 VanDerWaalsContact O-N 3.1Å; S180-E183 PolarHBondContact O-N 3.49Å; R181-E183 VanDerWaalsContact C-N 3.33Å; R181-E183 PolarHBondContact O-N 2.96Å; E183-I185 VanDerWaalsContact C-N 3.28Å; E183-I185 PolarHBondContact O-N 3.22Å; E183-S186 PolarHBondContact O-N 3.08Å; E183-S187 PolarHBondContact O-N 3.35Å; E183-S187 VanDerWaalsContact O-N 3.17Å; E183-I724 WeakPolarHBondContact OE1-CD1 3.41Å; E183-I724 WeakPolarHBondContact OE1-CG1 3.31Å
184A54.2Low47.1Very low29 Ų2972.8 Ų72.824%0.2441%0.41CS..Hα-helixtrans-63.4-32.617800000113S180 R181 S187 F291S180-A184 PolarHBondContact O-N 3.41Å; R181-A184 PolarHBondContact O-N 3.08Å; A184-S187 PolarHBondContact O-OG 2.98Å; A184-F291 HydrophobicContact CB-CE2 4.39Å
185I49.4Very low45.2Very low112 Ų11276.6 Ų76.657%0.57444%0.435SS*.Hα-helixtrans-78.2-33.1176.4-61.7165.4000111.2R181 E183 S187R181-I185 HydrophobicContact CG-CD1 4.01Å; R181-I185 WeakPolarHBondContact O-CG1 3.4Å; R181-I185 PolarHBondContact O-N 2.53Å; R181-I185 VanDerWaalsContact O-N 3.16Å; E183-I185 VanDerWaalsContact C-N 3.28Å; E183-I185 PolarHBondContact O-N 3.22Å; I185-S187 VanDerWaalsContact C-N 3.29Å; I185-S187 PolarHBondContact O-N 2.93Å
186S45.6Very low43.5Very low78 Ų7882.2 Ų82.255%0.54546%0.462SS..Hα-helixtrans-75.7-16.7179.6-171.90000113.3M182 E183 D188M182-S186 WeakPolarHBondContact O-CB 3.39Å; M182-S186 PolarHBondContact O-N 2.8Å; M182-S186 VanDerWaalsContact O-N 3.11Å; E183-S186 PolarHBondContact O-N 3.08Å; S186-D188 PolarHBondContact O-N 3.41Å
187S34.9Very low41.5Very low68 Ų6889.1 Ų89.148%0.47650%0.499SS..  trans-87.284.7177680000110.9E183 A184 I185 M189E183-S187 PolarHBondContact O-N 3.35Å; E183-S187 VanDerWaalsContact O-N 3.17Å; A184-S187 PolarHBondContact O-OG 2.98Å; I185-S187 VanDerWaalsContact C-N 3.29Å; I185-S187 PolarHBondContact O-N 2.93Å; S187-M189 PolarHBondContact O-N 2.91Å
188D26.6Very low39.5Very low163 Ų16396.9 Ų96.987%0.87254%0.539SS*.  trans-66.945.1143.1-93.4-23.5000109.6S186 S190S186-D188 PolarHBondContact O-N 3.41Å; D188-S190 PolarHBondContact O-N 3.07Å
189M28.5Very low37.4Very low154 Ų154101.7 Ų101.776%0.75957%0.574SS**  trans-72.984.2168.2-169.1172.4-171.600105.5S187 T191S187-M189 PolarHBondContact O-N 2.91Å; M189-T191 PolarHBondContact O-N 3.15Å
190S25.1Very low35.7Very low84 Ų84109 Ų10959%0.58761%0.611SS**  trans-30.5124.5161.8-66.40000108.7D188 T192D188-S190 PolarHBondContact O-N 3.07Å; S190-T192 PolarHBondContact O-N 3.35Å; S190-T192 PolarHBondContact O-OG1 3.45Å
191T24.7Very low33.8Very low146 Ų146115.1 Ų115.190%0.89664%0.643SS**  trans-40.776.1158.826.70000110.4M189M189-T191 PolarHBondContact O-N 3.15Å
192T23.3Very low32Very low107 Ų107119.1 Ų119.166%0.65668%0.675SS**  trans-105.688.5168.4-33.30000102.7S190 I194S190-T192 PolarHBondContact O-N 3.35Å; S190-T192 PolarHBondContact O-OG1 3.45Å; T192-I194 PolarHBondContact O-N 3.23Å
193I23.9Very low30.4Very low136 Ų136121.8 Ų121.870%0.69770%0.695SS**  trans-24.996.1160.5-61170000109.4T195I193-T195 HydrophobicContact CG2-CG2 3.52Å; I193-T195 VanDerWaalsContact CG2-OG1 3.22Å; I193-T195 WeakPolarHBondContact CG2-OG1 3.21Å; I193-T195 PolarHBondContact O-N 3.22Å
194I22.2Very low29Very low145 Ų145124.2 Ų124.274%0.74471%0.711SS**  trans-91.776.6153.2-57.7178.4000104.2T192 D196T192-I194 PolarHBondContact O-N 3.23Å; I194-D196 VanDerWaalsContact C-N 3.31Å; I194-D196 PolarHBondContact O-N 3.02Å
195T27.3Very low27.5Very low108 Ų108128.6 Ų128.666%0.66374%0.737SS**  trans-85.983.3156.448.90000106I193I193-T195 HydrophobicContact CG2-CG2 3.52Å; I193-T195 VanDerWaalsContact CG2-OG1 3.22Å; I193-T195 WeakPolarHBondContact CG2-OG1 3.21Å; I193-T195 PolarHBondContact O-N 3.22Å
196D27.9Very low26.3Very low144 Ų144130.3 Ų130.377%0.7775%0.746SS**SBendtrans-171.1136.9152.2-91-26.3000106.2I194I194-D196 VanDerWaalsContact C-N 3.31Å; I194-D196 PolarHBondContact O-N 3.02Å
197D24.1Very low25Very low158 Ų158135.5 Ų135.585%0.84576%0.761SS**SBendtrans70.274.2-172.3-66.6-22000116.1
198L23.3Very low24.5Very low164 Ų164139.4 Ų139.486%0.85978%0.775SS**  trans-167.262.3135.9-94.7172.6000109.3L200L198-L200 VanDerWaalsContact C-N 3.32Å; L198-L200 PolarHBondContact O-N 3.48Å
199C22.6Very low24.3Very low125 Ų125137.6 Ų137.685%0.84577%0.77SS**  trans-72.885.6166.6-71.10000109.7N201C199-N201 PolarHBondContact O-N 3.26Å
200L25.5Very low23.9Very low157 Ų157138 Ų13882%0.82278%0.775SS**  trans-74.2103.6155.9-74.3172.9000107.5L198 P202L198-L200 VanDerWaalsContact C-N 3.32Å; L198-L200 PolarHBondContact O-N 3.48Å; L200-P202 VanDerWaalsContact O-CD 3.25Å; L200-P202 WeakPolarHBondContact O-CD 2.99Å; L200-P202 VanDerWaalsContact O-N 3.14Å
201N23Very low23.9Very low143 Ų143139.9 Ų139.977%0.76578%0.784SS**  trans-37.1109.7177.7-82.9-34.8000113.7C199 T203C199-N201 PolarHBondContact O-N 3.26Å; N201-T203 PolarHBondContact O-N 3.27Å
202P26.5Very low23.9Very low125 Ų125140.7 Ų140.781%0.81278%0.782SS**  trans-82.894.1161.717.1-1.7000107.4L200 N204L200-P202 VanDerWaalsContact O-CD 3.25Å; L200-P202 WeakPolarHBondContact O-CD 2.99Å; L200-P202 VanDerWaalsContact O-N 3.14Å; P202-N204 PolarHBondContact O-N 3.1Å
203T24Very low23.9Very low124 Ų124145 Ų14576%0.76179%0.792SS**  trans-76.9119.7168.77.80000108.5N201N201-T203 PolarHBondContact O-N 3.27Å
204N25.3Very low24Very low138 Ų138147.3 Ų147.374%0.73880%0.8SS**  trans84.3107.3174-65.5-21.2000117.8P202 I206P202-N204 PolarHBondContact O-N 3.1Å; N204-I206 PolarHBondContact O-N 2.93Å
205P23.4Very low24Very low122 Ų122146.3 Ų146.379%0.79280%0.801SS**  trans-73.9120.8169.630.4-28.8000109.2E207P205-E207 PolarHBondContact O-N 3.32Å
206I24.1Very low23.7Very low147 Ų147148.8 Ų148.875%0.75481%0.809SS**  trans-82.9108.9165.8-59.4176.4000106.2N204 I208N204-I206 PolarHBondContact O-N 2.93Å; I206-I208 HydrophobicContact CG2-CD1 4.21Å; I206-I208 HydrophobicContact CG2-CG1 3.84Å; I206-I208 PolarHBondContact O-N 3.29Å; I206-I208 VanDerWaalsContact O-N 3.12Å
207E19.6Very low23.3Very low188 Ų188146.8 Ų146.888%0.87981%0.806SS**  trans-58.8107.6165.6-75.5178.2149.400108.8P205P205-E207 PolarHBondContact O-N 3.32Å
208I24.1Very low23.2Very low149 Ų149144.3 Ų144.376%0.76480%0.797SS**  trans-117.6110.9161.7-55.8-176.9000107I206I206-I208 HydrophobicContact CG2-CD1 4.21Å; I206-I208 HydrophobicContact CG2-CG1 3.84Å; I206-I208 PolarHBondContact O-N 3.29Å; I206-I208 VanDerWaalsContact O-N 3.12Å
209T21.1Very low23Very low126 Ų126141.5 Ų141.577%0.77379%0.791SS**  trans-56.3133.5175.343.40000112.2T211T209-T211 PolarHBondContact O-N 3.25Å
210N21.2Very low22.9Very low161 Ų161145.6 Ų145.686%0.86179%0.79SS**  trans-20118.9164.1-70.9-35.5000116
211T24.9Very low22.7Very low125 Ų125143.3 Ų143.377%0.76779%0.787SS**  trans-148.8115.7133.939.90000109.5T209T209-T211 PolarHBondContact O-N 3.25Å
212D25.3Very low22.5Very low162 Ų162144.4 Ų144.487%0.86679%0.792SS**  trans68.6113.8150.6-52.1-28.1000121.2
213K23.1Very low22.3Very low197 Ų197146.1 Ų146.186%0.85780%0.795SS**  trans-66.2120.1175.2-66.7168.1171.9176.50111.2
214E25Very low22Very low186 Ų186150.2 Ų150.287%0.86980%0.802SS**  trans-131.491.5141.3-77.3-167.8162.900108.4L216E214-L216 PolarHBondContact O-N 3.21Å
215T21.6Very low21.8Very low124 Ų124152.9 Ų152.976%0.76181%0.81SS**  trans-74.1100.4169.143.10000109.1S217T215-S217 PolarHBondContact O-N 3.46Å
216L21.4Very low21.6Very low160 Ų160149.9 Ų149.984%0.83880%0.802SS**  trans-79.483.8162.8-85.3160000109.1E214 V218E214-L216 PolarHBondContact O-N 3.21Å; L216-V218 PolarHBondContact O-N 3.46Å
217S19.2Very low21.5Very low101 Ų101149.2 Ų149.271%0.70681%0.805SS**  trans-83.797.2164.954.40000108.9T215 S219T215-S217 PolarHBondContact O-N 3.46Å; S217-S219 PolarHBondContact O-N 3.11Å
218V22Very low21.5Very low107 Ų107148.3 Ų148.365%0.64880%0.801SS**  trans-94.392.9173.3-177.30000108.5L216 Y220L216-V218 PolarHBondContact O-N 3.46Å; V218-Y220 HydrophobicContact CG1-CD2 3.5Å; V218-Y220 HydrophobicContact CG1-CE2 3.73Å
219S19.2Very low21.3Very low105 Ų105147.1 Ų147.173%0.73480%0.8SS**  trans-106.8100165.750.40000108.4S217S217-S219 PolarHBondContact O-N 3.11Å
220Y21.8Very low21.3Very low210 Ų210149.4 Ų149.482%0.82480%0.802SS**  trans-96.695.1167.8-84.1-76.4000109.3V218V218-Y220 HydrophobicContact CG1-CD2 3.5Å; V218-Y220 HydrophobicContact CG1-CE2 3.73Å
221S20.8Very low21.4Very low110 Ų110147.9 Ų147.977%0.76980%0.798SS**  trans-85108.2155.1-62.70000107.5N223S221-N223 PolarHBondContact O-N 3.16Å; S221-N223 VanDerWaalsContact O-N 3.08Å
222L19.4Very low21.1Very low166 Ų166146.1 Ų146.187%0.86980%0.796SS**  trans-6597.8170.4-77.2157.9000109
223N21Very low20.9Very low160 Ų160142.9 Ų142.986%0.85679%0.787SS**  trans-104.1107.9161.6-88.3-13.7000108.8S221 E225S221-N223 PolarHBondContact O-N 3.16Å; S221-N223 VanDerWaalsContact O-N 3.08Å; N223-E225 PolarHBondContact O-N 3.21Å
224F18.8Very low20.9Very low211 Ų211140 Ų14093%0.92578%0.781SS**  trans-80.7101.5173.5-163.2-89.9000107.7
225E20.6Very low20.8Very low193 Ų193137.8 Ų137.890%0.90277%0.774SS**  trans-146.4117.4159.6-113.8173.5-162.900108.9N223N223-E225 PolarHBondContact O-N 3.21Å
226G19.5Very low20.8Very low60 Ų60136 Ų13662%0.61977%0.766SS**  trans-79.1-174.9-178.500000113.2
227T21.4Very low20.7Very low132 Ų132134.6 Ų134.681%0.8176%0.759SS**  trans91.8108.6167.163.70000117.9
228Q20.2Very low21.1Very low170 Ų170137.6 Ų137.679%0.79477%0.767SS**  trans86.7102.3135.4-67.8178.311.100118.6
229T19.6Very low21.1Very low123 Ų123141.4 Ų141.476%0.75578%0.778SS**  36.6111.9115.1-20.10000116.2
230E20.8Very low21.5Very low174 Ų174143.1 Ų143.181%0.81378%0.777SS**  169.1161.2108.1-92.9-173165.400112.2
231V23.1Very low21.4Very low129 Ų129139.5 Ų139.578%0.78277%0.772SS**  trans86.586.7160.1-144.10000116.7
232A19.3Very low21.7Very low88 Ų88141.8 Ų141.873%0.72778%0.775SS**  trans-46.2149.314900000112.7
233S21.1Very low21.7Very low95 Ų95141.6 Ų141.666%0.66477%0.771SS**  157144.6125.6550000111.9
234N23.7Very low21.7Very low137 Ų137137.2 Ų137.273%0.73376%0.764SS**  trans90.4131.6159.5-51-32.4000116.8
235L22.3Very low22Very low139 Ų139137.2 Ų137.273%0.72876%0.764SS**  cis-171.8139.3-4-111163.1000104.7
236C20.9Very low21.9Very low87 Ų87136.8 Ų136.859%0.58876%0.762SS**  trans58.5117.4141.7-73.50000122
237D20.8Very low22.1Very low129 Ų129141.3 Ų141.369%0.6977%0.772SS**  70.5102.4116.8-50.1-20000118.3
238N27Very low22.1Very low164 Ų164140.1 Ų140.188%0.87777%0.769SS**  trans-147.781.9132.7-88.2-39.1000108.5I240N238-I240 PolarHBondContact O-N 3.46Å
239E21.9Very low22Very low188 Ų188139.4 Ų139.488%0.87977%0.769SS**  trans-68.5112.2157.6-70.2-177.2153.100108.4
240I26.9Very low22.1Very low141 Ų141140.4 Ų140.472%0.72378%0.775SS**  trans-119.991.4154-63.4-179.3000105.9N238 L242N238-I240 PolarHBondContact O-N 3.46Å; I240-L242 HydrophobicContact CG2-CD1 4.14Å
241D20.8Very low22Very low133 Ų133138.3 Ų138.371%0.71177%0.774SS**  trans-75.6118.6167.2-168.312.4000108.6M243D241-M243 WeakPolarHBondContact OD1-CG 3.45Å
242L25.7Very low21.9Very low159 Ų159137.3 Ų137.383%0.83277%0.773SS**  trans-131.273.1170.7-107.9152.9000107.9I240I240-L242 HydrophobicContact CG2-CD1 4.14Å
243M19.5Very low21.9Very low161 Ų161141.1 Ų141.179%0.79378%0.78SS**  trans-60.5130.1162.6-80-84.6-7400111.9D241D241-M243 WeakPolarHBondContact OD1-CG 3.45Å
244G22Very low22Very low68 Ų68144.5 Ų144.570%0.70179%0.791SS**  trans103.2100.6142.100000117.2
245K24.6Very low22Very low212 Ų212147.1 Ų147.192%0.92280%0.799SS**  -165.9104.1127.6-107.2170.1-174.9179.50111.6
246E19.8Very low22Very low183 Ų183143.8 Ų143.886%0.85580%0.798SS**  trans-66.1131.3152.5-63.9174.9144.600108.5
247D22.1Very low22.2Very low155 Ų155148.8 Ų148.883%0.82981%0.813SS**  trans-176.1127.4134-99.3-31.3000112.8
248S22.3Very low22.3Very low107 Ų107151.4 Ų151.475%0.74882%0.821SS**  trans70.797.4142.3-64.90000122
249I18.7Very low22.2Very low156 Ų156151.9 Ų151.980%0.882%0.818SS**  2.6120.2129.3-54.2169.3000117.2
250T20.3Very low22.5Very low144 Ų144150.8 Ų150.888%0.88382%0.818SS**  trans-145.6130.5136.149.20000111.1
251T18.8Very low22.6Very low129 Ų129149 Ų14979%0.79181%0.814SS**  trans-81.6140.1-179.744.20000114.6
252S21.5Very low22.8Very low108 Ų108149.9 Ų149.976%0.75582%0.815SS**  trans170.1102.6137.653.90000109.1
253L19.4Very low23.1Very low168 Ų168148 Ų14888%0.8881%0.81SS**  58.698.798.6-74170.8000114.5
254D23.5Very low23.4Very low166 Ų166145 Ų14589%0.88880%0.797SS**  trans-153.4143.3132.8-106.7-20.5000110.1G256D254-G256 PolarHBondContact O-N 3.37Å
255E23Very low23.8Very low192 Ų192146.3 Ų146.390%0.89779%0.787SS**  trans-67118.8-155.9-60.2176151.200113.8
256G23Very low24.5Very low69 Ų69143.2 Ų143.271%0.71178%0.776SS**  trans-84.9118.2168.900000111D254 Q258D254-G256 PolarHBondContact O-N 3.37Å; G256-Q258 PolarHBondContact O-N 3.22Å; G256-Q258 VanDerWaalsContact O-N 3.15Å
257E25.1Very low25.1Very low192 Ų192141.4 Ų141.490%0.89777%0.768SS**  trans-55.5113.2167.2-70.7-178.8149.300109.8Q259E257-Q259 PolarHBondContact O-N 3.25Å
258Q22.3Very low25.7Very low185 Ų185136.9 Ų136.986%0.86474%0.743SS**  trans-64.5104.3173.6-72.3175.2-13.700109.3G256 N260G256-Q258 PolarHBondContact O-N 3.22Å; G256-Q258 VanDerWaalsContact O-N 3.15Å; Q258-N260 PolarHBondContact O-N 2.89Å
259Q25.3Very low26.3Very low174 Ų174137.2 Ų137.281%0.81373%0.731SS**  trans-59.4125.5163.3-73.8174.5-14.800108.2E257 T261E257-Q259 PolarHBondContact O-N 3.25Å; Q259-T261 PolarHBondContact O-N 2.87Å
260N27.9Very low27.1Very low164 Ų164137.6 Ų137.688%0.87773%0.727SS**  trans-68.152.7174.8-92-18.5000112.3Q258 M262Q258-N260 PolarHBondContact O-N 2.89Å; N260-M262 VanDerWaalsContact C-N 3.26Å; N260-M262 PolarHBondContact O-N 3.43Å; N260-M262 VanDerWaalsContact O-N 3.13Å
261T29.6Very low27.8Very low104 Ų104137 Ų13764%0.63872%0.718SS**  trans-77.487.2158.7-49.80000105.8Q259 V263Q259-T261 PolarHBondContact O-N 2.87Å; T261-V263 VanDerWaalsContact C-N 3.31Å; T261-V263 PolarHBondContact O-N 3.17Å
262M24.1Very low28.7Very low151 Ų151134.3 Ų134.374%0.74470%0.698SS**  trans-68.597171.3-173.3176.4166.800107.4N260 I264N260-M262 VanDerWaalsContact C-N 3.26Å; N260-M262 PolarHBondContact O-N 3.43Å; N260-M262 VanDerWaalsContact O-N 3.13Å; M262-I264 PolarHBondContact O-N 2.85Å; M262-I264 VanDerWaalsContact O-N 3.16Å
263V31.7Very low29.4Very low119 Ų119134.4 Ų134.472%0.72169%0.689SS**  trans-53.9119.4162.1178.50000105.7T261 N265T261-V263 VanDerWaalsContact C-N 3.31Å; T261-V263 PolarHBondContact O-N 3.17Å; V263-N265 PolarHBondContact O-N 3.36Å
264I27.1Very low30.2Very low100 Ų100134.8 Ų134.851%0.51369%0.687SS.*  trans-53.9109175.5-61.6171.3000105.8M262 E266M262-I264 PolarHBondContact O-N 2.85Å; M262-I264 VanDerWaalsContact O-N 3.16Å; I264-E266 PolarHBondContact O-N 2.96Å
265N30.5Very low31.1Very low95 Ų95136.4 Ų136.451%0.50869%0.686SS.*  trans-55120.1-179-152.12.7000106.5V263 E267 I268V263-N265 PolarHBondContact O-N 3.36Å; N265-E267 PolarHBondContact O-N 3.37Å; N265-I268 HydrophobicContact CB-CD1 4.47Å; N265-I268 PolarHBondContact O-N 3.23Å
266E38.8Very low32Very low146 Ų146130.3 Ų130.368%0.68267%0.665SS**Hα-helixtrans-45.9-26.7-176.5-89.3-90.2137.700112.6I264 K269 K270I264-E266 PolarHBondContact O-N 2.96Å; E266-K269 WeakPolarHBondContact O-CB 3.2Å; E266-K269 PolarHBondContact O-N 3.29Å; E266-K270 PolarHBondContact O-N 3.16Å
267E32.5Very low33Very low145 Ų145129.6 Ų129.668%0.67866%0.657SS**Hα-helixtrans-71.1-29.2178.8-139.6156.7-160.100114.5N265N265-E267 PolarHBondContact O-N 3.37Å
268I35Very low33.9Very low60 Ų60126.1 Ų126.131%0.30865%0.645SS.*Hα-helixtrans-80.4-35.6174.9-62.6174.1000110.5N265 K270 N271 I272N265-I268 HydrophobicContact CB-CD1 4.47Å; N265-I268 PolarHBondContact O-N 3.23Å; I268-K270 PolarHBondContact O-N 3.45Å; I268-N271 PolarHBondContact O-N 3Å; I268-N271 VanDerWaalsContact O-N 3.09Å; I268-I272 HydrophobicContact CG2-CD1 3.66Å; I268-I272 HydrophobicContact CG2-CG1 4.47Å; I268-I272 PolarHBondContact O-N 2.77Å
269K33.8Very low35.4Very low115 Ų115124.2 Ų124.250%0.564%0.64SS.*Hα-helixtrans-54.5-43173.8-142.7176.8-174.9-179.60110E266 N271 I272 L273E266-K269 WeakPolarHBondContact O-CB 3.2Å; E266-K269 PolarHBondContact O-N 3.29Å; K269-N271 PolarHBondContact O-N 3.38Å; K269-I272 PolarHBondContact O-N 3.5Å; K269-L273 HydrophobicContact CG-CD1 4.28Å; K269-L273 WeakPolarHBondContact O-CB 3.37Å; K269-L273 WeakPolarHBondContact O-CD1 3.49Å; K269-L273 PolarHBondContact O-N 3.24Å; K269-L273 VanDerWaalsContact O-N 3.16Å
270K37.1Very low36.9Very low164 Ų164121.9 Ų121.971%0.71363%0.632SS**Hα-helixtrans-65-31.6178.8-150.4175.7-173.8177.60114.6E266 I268E266-K270 PolarHBondContact O-N 3.16Å; I268-K270 PolarHBondContact O-N 3.45Å
271N33.9Very low38.5Very low132 Ų132116.8 Ų116.871%0.70661%0.607SS**Hα-helixtrans-83.1-22.3-179.2-74.3-22.9000113.7I268 K269I268-N271 PolarHBondContact O-N 3Å; I268-N271 VanDerWaalsContact O-N 3.09Å; K269-N271 PolarHBondContact O-N 3.38Å
272I37.1Very low40.2Very low72 Ų72115.2 Ų115.237%0.36960%0.595SS.*Hα-helixtrans-88-28.3177.8-63.4160.2000111.1P161 I268 K269 E274 K275P161-I272 HydrophobicContact CB-CD1 4.34Å; P161-I272 HydrophobicContact CG-CD1 3.31Å; P161-I272 HydrophobicContact CG-CG1 4.36Å; I268-I272 HydrophobicContact CG2-CD1 3.66Å; I268-I272 HydrophobicContact CG2-CG1 4.47Å; I268-I272 PolarHBondContact O-N 2.77Å; K269-I272 PolarHBondContact O-N 3.5Å; I272-E274 PolarHBondContact O-N 3.44Å; I272-K275 PolarHBondContact O-N 3.4Å; I272-K275 VanDerWaalsContact O-N 3.15Å
273L36.3Very low42.7Very low109 Ų109112.4 Ų112.457%0.57158%0.583SS**THydrogen-bonded Turntrans-55.6-15.8-179.9-115.4114000114.8K269K269-L273 HydrophobicContact CG-CD1 4.28Å; K269-L273 WeakPolarHBondContact O-CB 3.37Å; K269-L273 WeakPolarHBondContact O-CD1 3.49Å; K269-L273 PolarHBondContact O-N 3.24Å; K269-L273 VanDerWaalsContact O-N 3.16Å
274E37.1Very low44.7Very low177 Ų177108.6 Ų108.683%0.82756%0.562SS**THydrogen-bonded Turntrans-92.9-4.6-179.6-72-169.8166.200115.3I272I272-E274 PolarHBondContact O-N 3.44Å
275K42.4Very low47.3Very low200 Ų200105 Ų10587%0.8754%0.543SS*.THydrogen-bonded Turntrans-126.5-13.5-171.8-79.4-171.3177.4179.60119.1I272I272-K275 PolarHBondContact O-N 3.4Å; I272-K275 VanDerWaalsContact O-N 3.15Å
276S41Very low49.7Very low64 Ų64105 Ų10545%0.44854%0.54SS..SBendtrans-153.2116.6176.352.90000109.6
277G44.3Very low51.7Low54 Ų54103.3 Ų103.356%0.55753%0.532SS*.  trans-54145.8-174.300000114.2D279 I280G277-D279 VanDerWaalsContact C-N 3.3Å; G277-D279 PolarHBondContact O-N 2.95Å; G277-I280 PolarHBondContact O-N 3.3Å
278D44.9Very low54.2Low119 Ų11996.9 Ų96.964%0.63650%0.502SS*.Hα-helixtrans-52.7-39-172.1-79.4-30.6000114I280 V281 D282D278-I280 VanDerWaalsContact C-N 3.31Å; D278-I280 PolarHBondContact O-N 3.35Å; D278-V281 PolarHBondContact O-N 2.98Å; D278-D282 PolarHBondContact O-N 3.33Å
279D54.2Low56.6Low144 Ų14495 Ų9577%0.7749%0.491SS*.Hα-helixtrans-61.1-33.4-171.7-64.3-21.7000114G277 D283G277-D279 VanDerWaalsContact C-N 3.3Å; G277-D279 PolarHBondContact O-N 2.95Å; D279-D283 PolarHBondContact O-N 3.02Å
280I55.5Low59Low125 Ų12591.7 Ų91.764%0.64149%0.486SS*.Hα-helixtrans-76.8-35.2-175.8-60.8173.9000111.3G277 D278 S284G277-I280 PolarHBondContact O-N 3.3Å; D278-I280 VanDerWaalsContact C-N 3.31Å; D278-I280 PolarHBondContact O-N 3.35Å; I280-S284 PolarHBondContact O-N 3.49Å; I280-S284 PolarHBondContact O-OG 3.25Å
281V61.2Low61.3Low57 Ų5784.4 Ų84.435%0.34545%0.454SS..Hα-helixtrans-73.2-40.5-179.1-178.80000109.8D278 S284 I285D278-V281 PolarHBondContact O-N 2.98Å; V281-S284 PolarHBondContact O-N 2.91Å; V281-I285 HydrophobicContact CG1-CD1 4.03Å; V281-I285 WeakPolarHBondContact O-CG1 3.38Å; V281-I285 PolarHBondContact O-N 2.74Å
282D66.7Low63.8Low71 Ų7178.1 Ų78.138%0.3842%0.42SS..Hα-helixtrans-65.7-43.2-180-155.630.1000112.1D278 S284 I285 E286 N323D278-D282 PolarHBondContact O-N 3.33Å; D282-S284 VanDerWaalsContact C-N 3.32Å; D282-S284 PolarHBondContact O-N 3.4Å; D282-I285 WeakPolarHBondContact O-CB 3.16Å; D282-I285 PolarHBondContact O-N 2.88Å; D282-E286 PolarHBondContact O-N 3.41Å; D282-N323 PolarHBondContact OD1-OD1 3.37Å; D282-N323 VanDerWaalsContact OD1-OD1 3.12Å
283D75.1Confident66.1Low92 Ų9277.7 Ų77.749%0.49242%0.418SS..Hα-helixtrans-59.8-41174.1-178.344.1000112.1D279 I285 E286 Q287D279-D283 PolarHBondContact O-N 3.02Å; D283-I285 PolarHBondContact O-N 2.74Å; D283-E286 PolarHBondContact O-N 3.35Å; D283-Q287 WeakPolarHBondContact O-CB 3.47Å; D283-Q287 VanDerWaalsContact O-CG 3.25Å; D283-Q287 WeakPolarHBondContact O-CG 3.46Å; D283-Q287 PolarHBondContact O-N 3.48Å; D283-Q287 PolarHBondContact OD1-NE2 3.29Å; D283-Q287 VanDerWaalsContact OD1-NE2 3.08Å; D283-Q287 PolarHBondContact OD2-NE2 3.37Å
284S74.9Confident68.5Low40 Ų4075.6 Ų75.628%0.2841%0.41SS..Hα-helixtrans-65.5-37.6177.5-60.10000112.8I280 V281 D282 L288I280-S284 PolarHBondContact O-N 3.49Å; I280-S284 PolarHBondContact O-OG 3.25Å; V281-S284 PolarHBondContact O-N 2.91Å; D282-S284 VanDerWaalsContact C-N 3.32Å; D282-S284 PolarHBondContact O-N 3.4Å; S284-L288 WeakPolarHBondContact O-CG 3.31Å; S284-L288 PolarHBondContact O-N 2.67Å; S284-L288 VanDerWaalsContact O-N 3.13Å
285I80.5Confident70.7Confident24 Ų2467.2 Ų67.212%0.12337%0.371CS..Hα-helixtrans-65.9-46.3176-75.4173000110L159 V281 D282 D283 L288 R289 L325L159-I285 HydrophobicContact CD1-CG1 3.95Å; V281-I285 HydrophobicContact CG1-CD1 4.03Å; V281-I285 WeakPolarHBondContact O-CG1 3.38Å; V281-I285 PolarHBondContact O-N 2.74Å; D282-I285 WeakPolarHBondContact O-CB 3.16Å; D282-I285 PolarHBondContact O-N 2.88Å; D283-I285 PolarHBondContact O-N 2.74Å; I285-L288 PolarHBondContact O-N 3.35Å; I285-R289 WeakPolarHBondContact O-CB 3.36Å; I285-R289 PolarHBondContact O-N 2.88Å; I285-L325 HydrophobicContact CB-CD1 4.22Å; I285-L325 HydrophobicContact CG2-CD1 3.28Å
286E81.6Confident72.7Confident96 Ų9657.8 Ų57.845%0.44933%0.33SS..Hα-helixtrans-65.9-40.4179.9-166.759.6-14100111.8D282 D283 L288 R289 A290D282-E286 PolarHBondContact O-N 3.41Å; D283-E286 PolarHBondContact O-N 3.35Å; E286-L288 VanDerWaalsContact C-N 3.34Å; E286-L288 PolarHBondContact O-N 3.24Å; E286-R289 WeakPolarHBondContact O-CB 3.15Å; E286-R289 PolarHBondContact O-N 3.47Å; E286-R289 IonicContact OE2-CZ 3.77Å; E286-R289 IonicContact OE2-NH1 3.35Å; E286-R289 PolarHBondContact OE2-NH1 3.11Å; E286-A290 WeakPolarHBondContact O-CB 3.19Å; E286-A290 PolarHBondContact O-N 3.25Å
287Q81.4Confident74.7Confident110 Ų11057.6 Ų57.651%0.51433%0.329SS..Hα-helixtrans-61.1-41.3173.8-73.2173.32500112.3D283 F291D283-Q287 WeakPolarHBondContact O-CB 3.47Å; D283-Q287 VanDerWaalsContact O-CG 3.25Å; D283-Q287 WeakPolarHBondContact O-CG 3.46Å; D283-Q287 PolarHBondContact O-N 3.48Å; D283-Q287 PolarHBondContact OD1-NE2 3.29Å; D283-Q287 VanDerWaalsContact OD1-NE2 3.08Å; D283-Q287 PolarHBondContact OD2-NE2 3.37Å; Q287-F291 WeakPolarHBondContact O-CB 3.18Å; Q287-F291 PolarHBondContact O-N 2.86Å
288L83.3Confident76.4Confident10 Ų1057.6 Ų57.65%0.05232%0.316CS..Hα-helixtrans-67.5-38.5174.6-79.2170.1000112F152 V156 L159 S284 I285 E286 F291 G292 L325F152-L288 VanDerWaalsContact CE2-O 3.29Å; F152-L288 WeakPolarHBondContact CE2-O 3.28Å; V156-L288 HydrophobicContact CG2-CD1 4.1Å; L159-L288 HydrophobicContact CD1-CD1 3.47Å; L159-L288 VanDerWaalsContact CD1-CD1 3.47Å; L159-L288 HydrophobicContact CG-CD1 4.41Å; S284-L288 WeakPolarHBondContact O-CG 3.31Å; S284-L288 PolarHBondContact O-N 2.67Å; S284-L288 VanDerWaalsContact O-N 3.13Å; I285-L288 PolarHBondContact O-N 3.35Å; E286-L288 VanDerWaalsContact C-N 3.34Å; E286-L288 PolarHBondContact O-N 3.24Å; L288-F291 PolarHBondContact O-N 3.05Å; L288-G292 PolarHBondContact O-N 3.31Å; L288-L325 HydrophobicContact CB-CD2 3.74Å
289R85.9Confident78.2Confident19 Ų1951.9 Ų51.97%0.07229%0.286CS..Hα-helixtrans-61.5-50.2175.3-176.9179.6-71116.14.1110.8I285 E286 F291 G292 I293 L318 L325I285-R289 WeakPolarHBondContact O-CB 3.36Å; I285-R289 PolarHBondContact O-N 2.88Å; E286-R289 WeakPolarHBondContact O-CB 3.15Å; E286-R289 PolarHBondContact O-N 3.47Å; E286-R289 IonicContact OE2-CZ 3.77Å; E286-R289 IonicContact OE2-NH1 3.35Å; E286-R289 PolarHBondContact OE2-NH1 3.11Å; R289-F291 VanDerWaalsContact C-N 3.31Å; R289-F291 PolarHBondContact O-N 3.22Å; R289-G292 PolarHBondContact O-N 3.31Å; R289-G292 VanDerWaalsContact O-N 3.13Å; R289-I293 HydrophobicContact CG-CD1 4.1Å; R289-I293 WeakPolarHBondContact O-CG1 2.96Å; R289-I293 PolarHBondContact O-N 2.9Å; R289-L318 PolarHBondContact NE-O 2.77Å; R289-L325 HydrophobicContact CB-CD1 4.42Å; R289-L325 HydrophobicContact CB-CD2 4.44Å
290A83.8Confident79.4Confident47 Ų4749.1 Ų49.139%0.38827%0.27SS..Hα-helixtrans-56.2-46.1175.300000111.3E286 G292 I293 T294E286-A290 WeakPolarHBondContact O-CB 3.19Å; E286-A290 PolarHBondContact O-N 3.25Å; A290-G292 PolarHBondContact O-N 3.03Å; A290-I293 PolarHBondContact O-N 3.24Å; A290-T294 PolarHBondContact O-N 3.38Å; A290-T294 PolarHBondContact O-OG1 3.3Å; A290-T294 VanDerWaalsContact O-OG1 3.07Å
291F85.5Confident80.5Confident10 Ų1050.3 Ų50.34%0.04427%0.273CS..Hα-helixtrans-59.5-45.4174.8176.5-122.3000112.5N148 F152 R181 A184 Q287 L288 R289 I293 T294 I295N148-F291 HydrophobicContact CB-CZ 3.99Å; F152-F291 HydrophobicContact CB-CD1 4.14Å; F152-F291 HydrophobicContact CB-CE1 3.88Å; F152-F291 HydrophobicContact CD2-CD1 4.15Å; R181-F291 HydrophobicContact CB-CE1 4.09Å; R181-F291 HydrophobicContact CB-CE2 3.94Å; R181-F291 HydrophobicContact CB-CZ 3.55Å; R181-F291 VanDerWaalsContact CD-CE1 3.48Å; R181-F291 HydrophobicContact CG-CD1 4.07Å; R181-F291 HydrophobicContact CG-CD2 3.94Å; R181-F291 HydrophobicContact CG-CE1 3.71Å; R181-F291 HydrophobicContact CG-CE2 3.59Å; R181-F291 HydrophobicContact CG-CG 4.18Å; R181-F291 HydrophobicContact CG-CZ 3.46Å; R181-F291 VanDerWaalsContact CG-CZ 3.46Å; A184-F291 HydrophobicContact CB-CE2 4.39Å; Q287-F291 WeakPolarHBondContact O-CB 3.18Å; Q287-F291 PolarHBondContact O-N 2.86Å; L288-F291 PolarHBondContact O-N 3.05Å; R289-F291 VanDerWaalsContact C-N 3.31Å; R289-F291 PolarHBondContact O-N 3.22Å; F291-I293 VanDerWaalsContact C-N 3.31Å; F291-I293 PolarHBondContact O-N 3.46Å; F291-T294 WeakPolarHBondContact O-CB 3.4Å; F291-T294 PolarHBondContact O-N 3.03Å; F291-I295 HydrophobicContact CD1-CD1 4.12Å; F291-I295 HydrophobicContact CE1-CD1 3.68Å; F291-I295 HydrophobicContact CE1-CG1 4.47Å; F291-I295 HydrophobicContact CE2-CD1 4.26Å; F291-I295 HydrophobicContact CE2-CG1 4.18Å; F291-I295 HydrophobicContact CZ-CD1 3.75Å; F291-I295 HydrophobicContact CZ-CG1 4.14Å; F291-I295 WeakPolarHBondContact O-CG1 3.09Å; F291-I295 PolarHBondContact O-N 3.45Å
292G86.6Confident81.1Confident0 Ų052.9 Ų52.90%028%0.28CS..Hα-helixtrans-59.5-39.6175.300000112.9L288 R289 A290 I295 C296 L318L288-G292 PolarHBondContact O-N 3.31Å; R289-G292 PolarHBondContact O-N 3.31Å; R289-G292 VanDerWaalsContact O-N 3.13Å; A290-G292 PolarHBondContact O-N 3.03Å; G292-I295 WeakPolarHBondContact O-CB 3.24Å; G292-I295 PolarHBondContact O-N 3.45Å; G292-C296 PolarHBondContact O-N 3.38Å; G292-C296 PolarHBondContact O-SG 3.36Å; G292-C296 VanDerWaalsContact O-SG 3.41Å; G292-L318 WeakPolarHBondContact O-CD1 3.17Å
293I86.5Confident81.5Confident64 Ų6450.4 Ų50.433%0.32827%0.266SS..Hα-helixtrans-65.3-42175.4-66.5165.8000110.5R289 A290 F291 I295 C296 S297 L315 T319R289-I293 HydrophobicContact CG-CD1 4.1Å; R289-I293 WeakPolarHBondContact O-CG1 2.96Å; R289-I293 PolarHBondContact O-N 2.9Å; A290-I293 PolarHBondContact O-N 3.24Å; F291-I293 VanDerWaalsContact C-N 3.31Å; F291-I293 PolarHBondContact O-N 3.46Å; I293-I295 VanDerWaalsContact C-N 3.3Å; I293-I295 PolarHBondContact O-N 2.93Å; I293-C296 WeakPolarHBondContact O-CB 3.48Å; I293-C296 PolarHBondContact O-N 3.15Å; I293-C296 VanDerWaalsContact O-N 3.12Å; I293-S297 PolarHBondContact O-N 3.18Å; I293-L315 HydrophobicContact CG1-CD1 4.1Å; I293-L315 HydrophobicContact CG2-CD1 4.23Å; I293-T319 HydrophobicContact CD1-CG2 4.38Å
294T85.1Confident81.5Confident64 Ų6449 Ų4939%0.39326%0.262SS..Hα-helixtrans-59.6-39173.4-53.80000112A290 F291 S297 N298A290-T294 PolarHBondContact O-N 3.38Å; A290-T294 PolarHBondContact O-OG1 3.3Å; A290-T294 VanDerWaalsContact O-OG1 3.07Å; F291-T294 WeakPolarHBondContact O-CB 3.4Å; F291-T294 PolarHBondContact O-N 3.03Å; T294-S297 PolarHBondContact O-N 2.86Å; T294-N298 PolarHBondContact O-N 3.42Å; T294-N298 PolarHBondContact O-ND2 3.41Å
295I84.4Confident81.4Confident1 Ų154.2 Ų54.21%0.00529%0.286CS..Hα-helixtrans-61.3-45.7173.6-63.3170000110.6L145 N148 F152 F291 G292 I293 S297 N298 L299 F330L145-I295 HydrophobicContact CD1-CG2 4.11Å; N148-I295 HydrophobicContact CB-CD1 4.02Å; N148-I295 HydrophobicContact CB-CG1 4.01Å; N148-I295 WeakPolarHBondContact O-CD1 3.37Å; F152-I295 HydrophobicContact CB-CD1 3.92Å; F291-I295 HydrophobicContact CD1-CD1 4.12Å; F291-I295 HydrophobicContact CE1-CD1 3.68Å; F291-I295 HydrophobicContact CE1-CG1 4.47Å; F291-I295 HydrophobicContact CE2-CD1 4.26Å; F291-I295 HydrophobicContact CE2-CG1 4.18Å; F291-I295 HydrophobicContact CZ-CD1 3.75Å; F291-I295 HydrophobicContact CZ-CG1 4.14Å; F291-I295 WeakPolarHBondContact O-CG1 3.09Å; F291-I295 PolarHBondContact O-N 3.45Å; G292-I295 WeakPolarHBondContact O-CB 3.24Å; G292-I295 PolarHBondContact O-N 3.45Å; I293-I295 VanDerWaalsContact C-N 3.3Å; I293-I295 PolarHBondContact O-N 2.93Å; I295-S297 VanDerWaalsContact C-N 3.33Å; I295-S297 PolarHBondContact O-N 3.17Å; I295-N298 PolarHBondContact O-N 2.94Å; I295-L299 HydrophobicContact CG2-CD1 3.8Å; I295-L299 HydrophobicContact CG2-CG 4.25Å; I295-L299 WeakPolarHBondContact O-CB 3.39Å; I295-L299 VanDerWaalsContact O-CG 3.3Å; I295-L299 WeakPolarHBondContact O-CG 3.17Å; I295-L299 PolarHBondContact O-N 3.27Å; I295-F330 HydrophobicContact CB-CE1 3.98Å; I295-F330 HydrophobicContact CB-CZ 3.82Å; I295-F330 HydrophobicContact CD1-CE2 4.15Å; I295-F330 HydrophobicContact CD1-CZ 4.06Å; I295-F330 HydrophobicContact CG2-CD1 4.13Å; I295-F330 HydrophobicContact CG2-CE1 3.47Å; I295-F330 VanDerWaalsContact CG2-CE1 3.47Å; I295-F330 HydrophobicContact CG2-CZ 3.8Å
296C84.9Confident81Confident2 Ų256.2 Ų56.21%0.01430%0.302CS..Hα-helixtrans-61.3-41177.9-67.20000112.4G292 I293 L299 L300 I311 L315 L318G292-C296 PolarHBondContact O-N 3.38Å; G292-C296 PolarHBondContact O-SG 3.36Å; G292-C296 VanDerWaalsContact O-SG 3.41Å; I293-C296 WeakPolarHBondContact O-CB 3.48Å; I293-C296 PolarHBondContact O-N 3.15Å; I293-C296 VanDerWaalsContact O-N 3.12Å; C296-L299 WeakPolarHBondContact O-CB 3.24Å; C296-L299 PolarHBondContact O-N 3.15Å; C296-L300 WeakPolarHBondContact O-CG 3.5Å; C296-L300 PolarHBondContact O-N 2.97Å; C296-I311 HydrophobicContact CB-CG2 3.99Å; C296-L315 HydrophobicContact CB-CD1 4.14Å; C296-L318 VanDerWaalsContact SG-CD1 3.55Å
297S83.4Confident80.8Confident61 Ų6151.7 Ų51.743%0.42728%0.281SS..Hα-helixtrans-60.2-47.2174.2-174.40000111.7I293 T294 I295 L299 L300 H301I293-S297 PolarHBondContact O-N 3.18Å; T294-S297 PolarHBondContact O-N 2.86Å; I295-S297 VanDerWaalsContact C-N 3.33Å; I295-S297 PolarHBondContact O-N 3.17Å; S297-L299 PolarHBondContact O-N 3.39Å; S297-L300 PolarHBondContact O-N 2.89Å; S297-H301 PolarHBondContact O-CD2 3.02Å; S297-H301 PolarHBondContact O-N 3.21Å
298N79.6Confident80.7Confident53 Ų5350.3 Ų50.328%0.28328%0.275SS..Hα-helixtrans-64.3-38.4176.5-71.3-31000112.3L145 T294 I295 L300 H301 F302L145-N298 HydrophobicContact CD1-CB 4Å; T294-N298 PolarHBondContact O-N 3.42Å; T294-N298 PolarHBondContact O-ND2 3.41Å; I295-N298 PolarHBondContact O-N 2.94Å; N298-L300 VanDerWaalsContact C-N 3.34Å; N298-L300 PolarHBondContact O-N 3.1Å; N298-H301 PolarHBondContact O-N 3.1Å; N298-F302 WeakPolarHBondContact O-CD2 3.34Å; N298-F302 PolarHBondContact O-N 3.34Å
299L82.2Confident80.6Confident0 Ų053.9 Ų53.90%030%0.298CS..Hα-helixtrans-59-43.7174.9-77.6161.7000111.7L145 I295 C296 S297 H301 F302 M303 I311 F330 I333 I352L145-L299 HydrophobicContact CD1-CD2 4.22Å; L145-L299 HydrophobicContact CD1-CG 3.99Å; L145-L299 HydrophobicContact CD2-CB 4.49Å; L145-L299 HydrophobicContact CD2-CD2 3.23Å; L145-L299 HydrophobicContact CD2-CG 3.8Å; L145-L299 HydrophobicContact CG-CD2 3.7Å; L145-L299 HydrophobicContact CG-CG 4.05Å; I295-L299 HydrophobicContact CG2-CD1 3.8Å; I295-L299 HydrophobicContact CG2-CG 4.25Å; I295-L299 WeakPolarHBondContact O-CB 3.39Å; I295-L299 VanDerWaalsContact O-CG 3.3Å; I295-L299 WeakPolarHBondContact O-CG 3.17Å; I295-L299 PolarHBondContact O-N 3.27Å; C296-L299 WeakPolarHBondContact O-CB 3.24Å; C296-L299 PolarHBondContact O-N 3.15Å; S297-L299 PolarHBondContact O-N 3.39Å; L299-H301 PolarHBondContact O-N 3.03Å; L299-F302 PolarHBondContact O-N 2.74Å; L299-M303 HydrophobicContact CB-CG 4.24Å; L299-M303 HydrophobicContact CD2-CE 3.75Å; L299-M303 HydrophobicContact CD2-CG 3.75Å; L299-M303 HydrophobicContact CD2-SD 4.21Å; L299-M303 WeakPolarHBondContact O-CB 3.44Å; L299-M303 WeakPolarHBondContact O-CG 3.13Å; L299-M303 PolarHBondContact O-N 3.45Å; L299-I311 HydrophobicContact CB-CD1 3.7Å; L299-I311 HydrophobicContact CB-CG1 3.96Å; L299-I311 HydrophobicContact CB-CG2 4.25Å; L299-I311 HydrophobicContact CD1-CG1 4.5Å; L299-F330 HydrophobicContact CD1-CD1 4.23Å; L299-F330 HydrophobicContact CD1-CE1 4Å; L299-I333 HydrophobicContact CD1-CD1 3.92Å; L299-I333 HydrophobicContact CD1-CG2 4.25Å; L299-I333 HydrophobicContact CD2-CG2 3.87Å; L299-I352 HydrophobicContact CD2-CD1 3.93Å; L299-I352 HydrophobicContact CD2-CG1 4.46Å
300L79.6Confident80.2Confident86 Ų8653.8 Ų53.845%0.4530%0.299SS..Hα-helixtrans-60.9-30.8178.4-72.8165.8000112.6C296 S297 N298 E308 I311C296-L300 WeakPolarHBondContact O-CG 3.5Å; C296-L300 PolarHBondContact O-N 2.97Å; S297-L300 PolarHBondContact O-N 2.89Å; N298-L300 VanDerWaalsContact C-N 3.34Å; N298-L300 PolarHBondContact O-N 3.1Å; L300-E308 HydrophobicContact CD2-CG 3.96Å; L300-I311 HydrophobicContact CD1-CG2 4.48Å; L300-I311 HydrophobicContact CD2-CB 4.29Å; L300-I311 HydrophobicContact CD2-CD1 4.05Å; L300-I311 HydrophobicContact CD2-CG2 4.11Å; L300-I311 HydrophobicContact CG-CD1 4.35Å; L300-I311 HydrophobicContact CG-CG2 3.91Å
301H79.1Confident80.1Confident150 Ų15051.8 Ų51.869%0.69428%0.282SS*.Hα-helixtrans-78.7-37.8178.7-79.9-62.3000114.4S297 N298 L299S297-H301 PolarHBondContact O-CD2 3.02Å; S297-H301 PolarHBondContact O-N 3.21Å; N298-H301 PolarHBondContact O-N 3.1Å; L299-H301 PolarHBondContact O-N 3.03Å
302F72.9Confident80.1Confident111 Ų11155.6 Ų55.649%0.48730%0.3SS..Hα-helixtrans-100.7-13.5-171-67.2-67000114.5N298 L299N298-F302 WeakPolarHBondContact O-CD2 3.34Å; N298-F302 PolarHBondContact O-N 3.34Å; L299-F302 PolarHBondContact O-N 2.74Å
303M76Confident79.8Confident19 Ų1962.3 Ų62.39%0.09433%0.325CS..SBendtrans-98.2153.4-171.9-59.4-68.4-99.500112.3L142 L145 L299 A307 I311 I333 V351 I352L142-M303 HydrophobicContact CD2-SD 4.31Å; L145-M303 HydrophobicContact CD2-CG 4.42Å; L145-M303 HydrophobicContact CD2-SD 4.29Å; L299-M303 HydrophobicContact CB-CG 4.24Å; L299-M303 HydrophobicContact CD2-CE 3.75Å; L299-M303 HydrophobicContact CD2-CG 3.75Å; L299-M303 HydrophobicContact CD2-SD 4.21Å; L299-M303 WeakPolarHBondContact O-CB 3.44Å; L299-M303 WeakPolarHBondContact O-CG 3.13Å; L299-M303 PolarHBondContact O-N 3.45Å; M303-A307 HydrophobicContact CB-CB 4Å; M303-I311 HydrophobicContact CB-CD1 4.3Å; M303-I333 HydrophobicContact CE-CG2 4.49Å; M303-V351 HydrophobicContact CE-CB 3.25Å; M303-V351 HydrophobicContact CE-CG1 3.08Å; M303-V351 HydrophobicContact CE-CG2 4.04Å; M303-V351 HydrophobicContact SD-CG1 3.73Å; M303-I352 HydrophobicContact CE-CB 4.46Å; M303-I352 HydrophobicContact CE-CD1 4.19Å; M303-I352 HydrophobicContact CE-CG1 3.3Å; M303-I352 HydrophobicContact SD-CG1 4.18Å
304P73.8Confident79.7Confident61 Ų6159.5 Ų59.540%0.39631%0.311SS..  trans-57.5148171.9-20.832000111.6S306 A307 V351 I355P304-S306 PolarHBondContact O-N 3.15Å; P304-A307 VanDerWaalsContact O-CB 3.28Å; P304-A307 WeakPolarHBondContact O-CB 3.48Å; P304-A307 PolarHBondContact O-N 3.32Å; P304-V351 HydrophobicContact CG-CG1 4.49Å; P304-I355 HydrophobicContact CG-CD1 4.35Å
305L72.8Confident79.7Confident151 Ų15159.4 Ų59.479%0.79131%0.307SS*.G310 helixtrans-53.7-27.6178-66.6171.3000113.5A307 E308L305-A307 PolarHBondContact O-N 3.29Å; L305-E308 WeakPolarHBondContact O-CB 3.31Å; L305-E308 PolarHBondContact O-N 2.87Å
306S73.8Confident79.7Confident66 Ų6666.7 Ų66.746%0.46234%0.339SS..G310 helixtrans-64.9-18176.163.10000114.1P304P304-S306 PolarHBondContact O-N 3.15Å
307A77.1Confident79.7Confident1 Ų169.4 Ų69.41%0.00836%0.356CS..G310 helixtrans-84.9-15.3176.900000113.5M303 P304 L305 P309 L310 I311 V351M303-A307 HydrophobicContact CB-CB 4Å; P304-A307 VanDerWaalsContact O-CB 3.28Å; P304-A307 WeakPolarHBondContact O-CB 3.48Å; P304-A307 PolarHBondContact O-N 3.32Å; L305-A307 PolarHBondContact O-N 3.29Å; A307-P309 VanDerWaalsContact C-CD 3.48Å; A307-L310 WeakPolarHBondContact O-CB 3.39Å; A307-L310 PolarHBondContact O-N 3.31Å; A307-I311 HydrophobicContact CB-CD1 4.18Å; A307-I311 WeakPolarHBondContact O-CG1 3.34Å; A307-I311 PolarHBondContact O-N 3.16Å; A307-I311 VanDerWaalsContact O-N 3.07Å; A307-V351 HydrophobicContact CB-CG1 4.5Å; A307-V351 HydrophobicContact CB-CG2 3.67Å
308E79.1Confident79.7Confident81 Ų8166.6 Ų66.638%0.37934%0.336SS..Hα-helixtrans-53.3-44.2-175.2-176.5179.417700113.6L300 L305 L310 I311 Q312L300-E308 HydrophobicContact CD2-CG 3.96Å; L305-E308 WeakPolarHBondContact O-CB 3.31Å; L305-E308 PolarHBondContact O-N 2.87Å; E308-L310 VanDerWaalsContact C-N 3.28Å; E308-L310 PolarHBondContact O-N 3.3Å; E308-I311 PolarHBondContact O-N 3.39Å; E308-Q312 HydrophobicContact CG-CG 4.32Å; E308-Q312 WeakPolarHBondContact O-CG 3.48Å; E308-Q312 PolarHBondContact O-N 3.47Å; E308-Q312 PolarHBondContact OE1-NE2 3.24Å
309P80.7Confident79.8Confident84 Ų8468 Ų6855%0.54535%0.346SS..Hα-helixtrans-61.9-34.3178.5-23.234.9000113.5A307 R313A307-P309 VanDerWaalsContact C-CD 3.48Å; P309-R313 PolarHBondContact O-N 2.92Å
310L77.8Confident79.6Confident18 Ų1869.9 Ų69.99%0.09437%0.366CS..Hα-helixtrans-72.1-40.4177.5-64.9173.5000111.1A307 E308 R313 T314 I349A307-L310 WeakPolarHBondContact O-CB 3.39Å; A307-L310 PolarHBondContact O-N 3.31Å; E308-L310 VanDerWaalsContact C-N 3.28Å; E308-L310 PolarHBondContact O-N 3.3Å; L310-R313 PolarHBondContact O-N 2.9Å; L310-T314 PolarHBondContact O-N 3.24Å; L310-T314 PolarHBondContact O-OG1 3.38Å; L310-I349 HydrophobicContact CD1-CB 4.17Å; L310-I349 HydrophobicContact CD1-CG2 4.35Å; L310-I349 WeakPolarHBondContact CD1-O 3.42Å
311I82.1Confident79.3Confident4 Ų472.6 Ų72.62%0.02138%0.377CS..Hα-helixtrans-65.2-42.4176.1-59.3161.5000110C296 L299 L300 M303 A307 E308 R313 T314 L315C296-I311 HydrophobicContact CB-CG2 3.99Å; L299-I311 HydrophobicContact CB-CD1 3.7Å; L299-I311 HydrophobicContact CB-CG1 3.96Å; L299-I311 HydrophobicContact CB-CG2 4.25Å; L299-I311 HydrophobicContact CD1-CG1 4.5Å; L300-I311 HydrophobicContact CD1-CG2 4.48Å; L300-I311 HydrophobicContact CD2-CB 4.29Å; L300-I311 HydrophobicContact CD2-CD1 4.05Å; L300-I311 HydrophobicContact CD2-CG2 4.11Å; L300-I311 HydrophobicContact CG-CD1 4.35Å; L300-I311 HydrophobicContact CG-CG2 3.91Å; M303-I311 HydrophobicContact CB-CD1 4.3Å; A307-I311 HydrophobicContact CB-CD1 4.18Å; A307-I311 WeakPolarHBondContact O-CG1 3.34Å; A307-I311 PolarHBondContact O-N 3.16Å; A307-I311 VanDerWaalsContact O-N 3.07Å; E308-I311 PolarHBondContact O-N 3.39Å; I311-R313 PolarHBondContact O-N 2.84Å; I311-T314 WeakPolarHBondContact O-CB 3.43Å; I311-T314 PolarHBondContact O-N 2.91Å; I311-L315 WeakPolarHBondContact O-CB 3.4Å; I311-L315 PolarHBondContact O-N 3.06Å
312Q83.8Confident78.7Confident91 Ų9170.5 Ų70.543%0.42538%0.377SS..Hα-helixtrans-63-38.6175.1-71.3-179.22.100112.5E308 T314 L315 K316E308-Q312 HydrophobicContact CG-CG 4.32Å; E308-Q312 WeakPolarHBondContact O-CG 3.48Å; E308-Q312 PolarHBondContact O-N 3.47Å; E308-Q312 PolarHBondContact OE1-NE2 3.24Å; Q312-T314 VanDerWaalsContact C-N 3.35Å; Q312-L315 PolarHBondContact O-N 3.37Å; Q312-K316 WeakPolarHBondContact O-CG 3.45Å; Q312-K316 PolarHBondContact O-N 3.44Å
313R81.4Confident78.5Confident141 Ų14169.5 Ų69.553%0.53238%0.376SS..Hα-helixtrans-64.2-40.1173.1179.9179.4-78.3141.4-2.4111.8P309 L310 I311 K316 T317 E332P309-R313 PolarHBondContact O-N 2.92Å; L310-R313 PolarHBondContact O-N 2.9Å; I311-R313 PolarHBondContact O-N 2.84Å; R313-K316 PolarHBondContact O-N 2.87Å; R313-T317 PolarHBondContact O-N 3.32Å; R313-T317 PolarHBondContact O-OG1 3.08Å; R313-E332 IonicContact NH1-OE2 2.69Å
314T84.9Confident78.4Confident5 Ų571 Ų713%0.03139%0.389CS..Hα-helixtrans-65-45.1176.5-55.40000110.8L310 I311 Q312 K316 T317 L318 S329 F330 I333L310-T314 PolarHBondContact O-N 3.24Å; L310-T314 PolarHBondContact O-OG1 3.38Å; I311-T314 WeakPolarHBondContact O-CB 3.43Å; I311-T314 PolarHBondContact O-N 2.91Å; Q312-T314 VanDerWaalsContact C-N 3.35Å; T314-K316 VanDerWaalsContact C-N 3.34Å; T314-K316 PolarHBondContact O-N 2.91Å; T314-T317 WeakPolarHBondContact O-CA 3.31Å; T314-T317 WeakPolarHBondContact O-CB 3.34Å; T314-T317 PolarHBondContact O-N 3.3Å; T314-L318 HydrophobicContact CG2-CD1 4.2Å; T314-L318 WeakPolarHBondContact O-CG 3.32Å; T314-L318 PolarHBondContact O-N 3.2Å; T314-S329 WeakPolarHBondContact CG2-O 3.46Å; T314-F330 HydrophobicContact CG2-CD1 3.82Å; T314-F330 HydrophobicContact CG2-CE1 3.69Å; T314-F330 HydrophobicContact CG2-CG 4.37Å; T314-F330 HydrophobicContact CG2-CZ 4.15Å; T314-I333 HydrophobicContact CG2-CD1 3.99Å; T314-I333 WeakPolarHBondContact OG1-CD1 3.35Å
315L84.9Confident78.8Confident61 Ų6169.3 Ų69.332%0.31938%0.376SS..Hα-helixtrans-58.2-45.3175.6-171.865.9000111.3I293 C296 I311 Q312 T317 L318 T319I293-L315 HydrophobicContact CG1-CD1 4.1Å; I293-L315 HydrophobicContact CG2-CD1 4.23Å; C296-L315 HydrophobicContact CB-CD1 4.14Å; I311-L315 WeakPolarHBondContact O-CB 3.4Å; I311-L315 PolarHBondContact O-N 3.06Å; Q312-L315 PolarHBondContact O-N 3.37Å; L315-T317 VanDerWaalsContact C-N 3.27Å; L315-T317 PolarHBondContact O-N 2.95Å; L315-L318 PolarHBondContact O-N 3.46Å; L315-L318 VanDerWaalsContact O-N 3.15Å; L315-T319 HydrophobicContact CD1-CG2 4.39Å; L315-T319 WeakPolarHBondContact O-CG2 3.33Å; L315-T319 PolarHBondContact O-N 3.44Å; L315-T319 PolarHBondContact O-OG1 2.58Å; L315-T319 VanDerWaalsContact O-OG1 3.08Å
316K83.7Confident79.1Confident154 Ų15465.1 Ų65.167%0.6736%0.355SS*.Hα-helixtrans-59.3-36.1173.9-74.4176.7-178.2-179.40113.1Q312 R313 T314 G320Q312-K316 WeakPolarHBondContact O-CG 3.45Å; Q312-K316 PolarHBondContact O-N 3.44Å; R313-K316 PolarHBondContact O-N 2.87Å; T314-K316 VanDerWaalsContact C-N 3.34Å; T314-K316 PolarHBondContact O-N 2.91Å; K316-G320 PolarHBondContact O-N 3.38Å
317T84.1Confident79.2Confident59 Ų5963 Ų6336%0.36234%0.339SS..Hα-helixtrans-69.8-37.8177.1-53.40000111.2R313 T314 L315 N326R313-T317 PolarHBondContact O-N 3.32Å; R313-T317 PolarHBondContact O-OG1 3.08Å; T314-T317 WeakPolarHBondContact O-CA 3.31Å; T314-T317 WeakPolarHBondContact O-CB 3.34Å; T314-T317 PolarHBondContact O-N 3.3Å; L315-T317 VanDerWaalsContact C-N 3.27Å; L315-T317 PolarHBondContact O-N 2.95Å; T317-N326 HydrophobicContact CG2-CB 4.27Å
318L84.2Confident79.2Confident3 Ų366.9 Ų66.92%0.01636%0.36CS..Hα-helixtrans-72.8-35.4177.8-67.4169.6000112.9F152 R289 G292 C296 T314 L315 G320 F330F152-L318 HydrophobicContact CE1-CD2 4.16Å; F152-L318 HydrophobicContact CE2-CD2 3.82Å; F152-L318 HydrophobicContact CZ-CD2 3.34Å; R289-L318 PolarHBondContact NE-O 2.77Å; G292-L318 WeakPolarHBondContact O-CD1 3.17Å; C296-L318 VanDerWaalsContact SG-CD1 3.55Å; T314-L318 HydrophobicContact CG2-CD1 4.2Å; T314-L318 WeakPolarHBondContact O-CG 3.32Å; T314-L318 PolarHBondContact O-N 3.2Å; L315-L318 PolarHBondContact O-N 3.46Å; L315-L318 VanDerWaalsContact O-N 3.15Å; L318-G320 VanDerWaalsContact C-N 3.26Å; L318-G320 PolarHBondContact O-N 3.4Å; L318-F330 HydrophobicContact CD1-CE2 4.34Å; L318-F330 HydrophobicContact CD1-CZ 3.84Å; L318-F330 HydrophobicContact CD2-CE2 4.4Å
319T82.5Confident79.3Confident81 Ų8163.6 Ų63.650%0.49735%0.346SS..THydrogen-bonded Turntrans-90.220.1176.865.80000112.8I293 L315I293-T319 HydrophobicContact CD1-CG2 4.38Å; L315-T319 HydrophobicContact CD1-CG2 4.39Å; L315-T319 WeakPolarHBondContact O-CG2 3.33Å; L315-T319 PolarHBondContact O-N 3.44Å; L315-T319 PolarHBondContact O-OG1 2.58Å; L315-T319 VanDerWaalsContact O-OG1 3.08Å
320G77.2Confident79.4Confident41 Ų4159.6 Ų59.642%0.42332%0.32SS..SBendtrans-75.9-137.7-179.600000113.3K316 L318K316-G320 PolarHBondContact O-N 3.38Å; L318-G320 VanDerWaalsContact C-N 3.26Å; L318-G320 PolarHBondContact O-N 3.4Å
321E73.9Confident79.1Confident142 Ų14260.8 Ų60.866%0.66433%0.328SS*.SBendtrans-58.6132.4-176.4-64.9-167.2164.800112.6N323 S324E321-N323 PolarHBondContact O-N 2.81Å; E321-S324 PolarHBondContact O-N 3.49Å
322P66Low78.4Confident107 Ų10765.4 Ų65.470%0.69535%0.349SS*.THydrogen-bonded Turntrans-59.9125.1171.826.3-31.3000107.6
323N69.7Low78Confident89 Ų8961.3 Ų61.348%0.47633%0.33SS..THydrogen-bonded Turntrans8510.6178.6-44.22.7000116.6D282 E321D282-N323 PolarHBondContact OD1-OD1 3.37Å; D282-N323 VanDerWaalsContact OD1-OD1 3.12Å; E321-N323 PolarHBondContact O-N 2.81Å
324S73.8Confident77.3Confident51 Ų5155 Ų5536%0.35731%0.307SS..  trans-121136.1165.280.50000111.3E321E321-S324 PolarHBondContact O-N 3.49Å
325L81.6Confident76.2Confident26 Ų2655.7 Ų55.714%0.13631%0.313CS..  trans-127.7130.3169.1-88.985.5000108.5F152 V156 I285 L288 R289 P327F152-L325 HydrophobicContact CE2-CD2 3.75Å; F152-L325 HydrophobicContact CZ-CD2 3.71Å; V156-L325 HydrophobicContact CG1-CB 3.92Å; V156-L325 WeakPolarHBondContact CG1-O 3.49Å; V156-L325 HydrophobicContact CG2-CB 4.02Å; V156-L325 HydrophobicContact CG2-CD2 3.81Å; I285-L325 HydrophobicContact CB-CD1 4.22Å; I285-L325 HydrophobicContact CG2-CD1 3.28Å; L288-L325 HydrophobicContact CB-CD2 3.74Å; R289-L325 HydrophobicContact CB-CD1 4.42Å; R289-L325 HydrophobicContact CB-CD2 4.44Å; L325-P327 WeakPolarHBondContact O-CD 3.48Å
326N78.3Confident74.2Confident63 Ų6360.1 Ų60.134%0.33733%0.332SS..  trans-83.6117.9173.4-176.9-9000109.4T317 N328 S329T317-N326 HydrophobicContact CG2-CB 4.27Å; N326-N328 PolarHBondContact O-N 3.2Å; N326-N328 VanDerWaalsContact O-N 3.13Å; N326-N328 WeakPolarHBondContact OD1-CA 3.37Å; N326-N328 WeakPolarHBondContact OD1-CB 3.43Å; N326-N328 PolarHBondContact OD1-N 3.27Å; N326-S329 WeakPolarHBondContact CB-OG 3.25Å; N326-S329 WeakPolarHBondContact O-CB 3.17Å; N326-S329 PolarHBondContact O-N 3.4Å; N326-S329 PolarHBondContact O-OG 3.06Å
327P75.9Confident71.9Confident22 Ų2257.6 Ų57.614%0.14333%0.329CS..THydrogen-bonded Turntrans-61.3-23.7177.425.4-34.5000112.2R153 V156 I160 L325R153-P327 WeakPolarHBondContact CB-O 3.14Å; R153-P327 HydrophobicContact CG-CB 4.27Å; R153-P327 VanDerWaalsContact CG-O 3.28Å; R153-P327 WeakPolarHBondContact CG-O 3.45Å; V156-P327 HydrophobicContact CB-CB 4.02Å; V156-P327 HydrophobicContact CG1-CB 3.79Å; V156-P327 HydrophobicContact CG1-CG 4.32Å; I160-P327 HydrophobicContact CD1-CB 4.5Å; I160-P327 HydrophobicContact CD1-CG 3.81Å; L325-P327 WeakPolarHBondContact O-CD 3.48Å
328N77.9Confident69.4Low82 Ų8260.7 Ų60.744%0.43935%0.353SS..THydrogen-bonded Turntrans-92.811.2-179.8-64.3-38.7000113.4N326 F330 T331N326-N328 PolarHBondContact O-N 3.2Å; N326-N328 VanDerWaalsContact O-N 3.13Å; N326-N328 WeakPolarHBondContact OD1-CA 3.37Å; N326-N328 WeakPolarHBondContact OD1-CB 3.43Å; N326-N328 PolarHBondContact OD1-N 3.27Å; N328-F330 PolarHBondContact O-N 3.16Å; N328-F330 VanDerWaalsContact O-N 3.11Å; N328-T331 VanDerWaalsContact C-OG1 3.32Å; N328-T331 WeakPolarHBondContact CA-OG1 3.37Å; N328-T331 WeakPolarHBondContact CB-OG1 3.49Å; N328-T331 VanDerWaalsContact O-CB 3.26Å; N328-T331 WeakPolarHBondContact O-CB 3.3Å; N328-T331 PolarHBondContact O-N 3.5Å; N328-T331 PolarHBondContact O-OG1 2.82Å
329S80Confident66.6Low11 Ų1166 Ų668%0.07738%0.382CS..THydrogen-bonded Turntrans-51.4-37.6-177.9-62.70000113.1T314 N326T314-S329 WeakPolarHBondContact CG2-O 3.46Å; N326-S329 WeakPolarHBondContact CB-OG 3.25Å; N326-S329 WeakPolarHBondContact O-CB 3.17Å; N326-S329 PolarHBondContact O-N 3.4Å; N326-S329 PolarHBondContact O-OG 3.06Å
330F82.7Confident64.3Low0 Ų072.1 Ų72.10%040%0.401CS..THydrogen-bonded Turntrans-933-180-66-81000114.1C149 F152 I295 L299 T314 L318 N328 E332 I333 E334C149-F330 HydrophobicContact CB-CB 3.93Å; C149-F330 HydrophobicContact CB-CG 4.15Å; F152-F330 HydrophobicContact CB-CD2 4.34Å; F152-F330 HydrophobicContact CB-CE2 4.19Å; F152-F330 AromaticContact CD1-CD2 3.45Å; F152-F330 HydrophobicContact CD1-CD2 3.45Å; F152-F330 VanDerWaalsContact CD1-CD2 3.45Å; F152-F330 AromaticContact CD1-CE2 3.49Å; F152-F330 HydrophobicContact CD1-CE2 3.49Å; F152-F330 VanDerWaalsContact CD1-CE2 3.49Å; F152-F330 HydrophobicContact CD2-CE2 4.02Å; F152-F330 AromaticContact CE1-CD2 3.86Å; F152-F330 HydrophobicContact CE1-CD2 3.86Å; F152-F330 AromaticContact CE1-CE2 3.75Å; F152-F330 HydrophobicContact CE1-CE2 3.75Å; F152-F330 HydrophobicContact CE2-CE2 4.24Å; F152-F330 AromaticContact CG-CD2 3.95Å; F152-F330 HydrophobicContact CG-CD2 3.95Å; F152-F330 AromaticContact CG-CE2 3.62Å; F152-F330 HydrophobicContact CG-CE2 3.62Å; F152-F330 HydrophobicContact CZ-CE2 4.12Å; I295-F330 HydrophobicContact CB-CE1 3.98Å; I295-F330 HydrophobicContact CB-CZ 3.82Å; I295-F330 HydrophobicContact CD1-CE2 4.15Å; I295-F330 HydrophobicContact CD1-CZ 4.06Å; I295-F330 HydrophobicContact CG2-CD1 4.13Å; I295-F330 HydrophobicContact CG2-CE1 3.47Å; I295-F330 VanDerWaalsContact CG2-CE1 3.47Å; I295-F330 HydrophobicContact CG2-CZ 3.8Å; L299-F330 HydrophobicContact CD1-CD1 4.23Å; L299-F330 HydrophobicContact CD1-CE1 4Å; T314-F330 HydrophobicContact CG2-CD1 3.82Å; T314-F330 HydrophobicContact CG2-CE1 3.69Å; T314-F330 HydrophobicContact CG2-CG 4.37Å; T314-F330 HydrophobicContact CG2-CZ 4.15Å; L318-F330 HydrophobicContact CD1-CE2 4.34Å; L318-F330 HydrophobicContact CD1-CZ 3.84Å; L318-F330 HydrophobicContact CD2-CE2 4.4Å; N328-F330 PolarHBondContact O-N 3.16Å; N328-F330 VanDerWaalsContact O-N 3.11Å; F330-E332 VanDerWaalsContact C-N 3.33Å; F330-E332 PolarHBondContact O-N 3.06Å; F330-I333 HydrophobicContact CD1-CD1 3.89Å; F330-I333 CarbonylContact O-C 3.59Å; F330-I333 WeakPolarHBondContact O-CA 3.09Å; F330-I333 WeakPolarHBondContact O-CB 3.27Å; F330-I333 PolarHBondContact O-N 3.45Å; F330-E334 HydrophobicContact CB-CG 4.16Å; F330-E334 WeakPolarHBondContact CB-OE1 3.36Å; F330-E334 WeakPolarHBondContact O-CB 3.33Å; F330-E334 WeakPolarHBondContact O-CG 3.33Å; F330-E334 PolarHBondContact O-N 3.38Å
331T72.1Confident62.1Low43 Ų4376.3 Ų76.326%0.26441%0.414SS..Hα-helixtrans-60.8-39.7-172-52.90000112.8N328 I333 E334 A335N328-T331 VanDerWaalsContact C-OG1 3.32Å; N328-T331 WeakPolarHBondContact CA-OG1 3.37Å; N328-T331 WeakPolarHBondContact CB-OG1 3.49Å; N328-T331 VanDerWaalsContact O-CB 3.26Å; N328-T331 WeakPolarHBondContact O-CB 3.3Å; N328-T331 PolarHBondContact O-N 3.5Å; N328-T331 PolarHBondContact O-OG1 2.82Å; T331-I333 PolarHBondContact O-N 3.01Å; T331-E334 PolarHBondContact O-N 2.9Å; T331-A335 HydrophobicContact CG2-CB 4.22Å; T331-A335 WeakPolarHBondContact O-CB 3.2Å; T331-A335 PolarHBondContact O-N 2.95Å
332E68Low60.1Low102 Ų10276.3 Ų76.348%0.47742%0.417SS..Hα-helixtrans-64.3-29.6175.7-69.1-176.5-165.800112.3R313 F330R313-E332 IonicContact NH1-OE2 2.69Å; F330-E332 VanDerWaalsContact C-N 3.33Å; F330-E332 PolarHBondContact O-N 3.06Å
333I74.5Confident58.5Low4 Ų479.3 Ų79.32%0.02143%0.427CS..Hα-helixtrans-81.4-36.3177.6-64.5165.1000110.9L299 M303 T314 F330 T331 I352L299-I333 HydrophobicContact CD1-CD1 3.92Å; L299-I333 HydrophobicContact CD1-CG2 4.25Å; L299-I333 HydrophobicContact CD2-CG2 3.87Å; M303-I333 HydrophobicContact CE-CG2 4.49Å; T314-I333 HydrophobicContact CG2-CD1 3.99Å; T314-I333 WeakPolarHBondContact OG1-CD1 3.35Å; F330-I333 HydrophobicContact CD1-CD1 3.89Å; F330-I333 CarbonylContact O-C 3.59Å; F330-I333 WeakPolarHBondContact O-CA 3.09Å; F330-I333 WeakPolarHBondContact O-CB 3.27Å; F330-I333 PolarHBondContact O-N 3.45Å; T331-I333 PolarHBondContact O-N 3.01Å; I333-I352 HydrophobicContact CG2-CD1 3.63Å; I333-I352 HydrophobicContact CG2-CG1 3.97Å
334E67.6Low56.8Low9 Ų979.6 Ų79.64%0.04243%0.432CS..Hα-helixtrans-82.6-38.6-175.4-75.6-177.6-139.400114.7C149 R153 F330 T331 V353C149-E334 HydrophobicContact CB-CG 3.54Å; C149-E334 WeakPolarHBondContact CB-OE1 3.46Å; R153-E334 IonicContact CZ-OE2 2.62Å; R153-E334 IonicContact NH1-OE1 3.92Å; R153-E334 IonicContact NH1-OE2 3.92Å; R153-E334 PolarHBondContact NH1-OE2 2.75Å; R153-E334 IonicContact NH2-OE2 2.64Å; R153-E334 PolarHBondContact NH2-OE2 2.98Å; F330-E334 HydrophobicContact CB-CG 4.16Å; F330-E334 WeakPolarHBondContact CB-OE1 3.36Å; F330-E334 WeakPolarHBondContact O-CB 3.33Å; F330-E334 WeakPolarHBondContact O-CG 3.33Å; F330-E334 PolarHBondContact O-N 3.38Å; T331-E334 PolarHBondContact O-N 2.9Å; E334-V353 WeakPolarHBondContact O-CB 3.4Å; E334-V353 WeakPolarHBondContact O-CG2 3.47Å
335A61.7Low54.9Low20 Ų2085.4 Ų85.417%0.16546%0.46CS..  trans-80.3156-151.300000117.4T331 V337 L350T331-A335 HydrophobicContact CG2-CB 4.22Å; T331-A335 WeakPolarHBondContact O-CB 3.2Å; T331-A335 PolarHBondContact O-N 2.95Å; A335-V337 HydrophobicContact CB-CG2 3.7Å; A335-L350 WeakPolarHBondContact O-CD2 3.05Å
336H42.5Very low52.5Low153 Ų15389.6 Ų89.671%0.70848%0.482SS*.  trans-121.383.7154.9-167.173.6000106.3S338 V353H336-S338 PolarHBondContact O-N 3.28Å; H336-V353 HydrophobicContact CB-CG1 3.86Å
337V34.8Very low50.4Low102 Ų10294.2 Ų94.262%0.61851%0.506SS*.  trans-79.2117.7-174.9179.10000110.6A335 N339A335-V337 HydrophobicContact CB-CG2 3.7Å; V337-N339 VanDerWaalsContact C-N 3.29Å; V337-N339 HydrophobicContact CG1-CB 3.91Å; V337-N339 PolarHBondContact O-N 3.03Å
338S31.9Very low48.4Very low124 Ų12498.7 Ų98.787%0.86753%0.529SS*.  trans-6487.7156.4-174.50000109.1H336H336-S338 PolarHBondContact O-N 3.28Å
339N26.5Very low46.5Very low115 Ų11597.7 Ų97.762%0.61552%0.523SS*.  trans-142.9107.3159.5-149.4-2.8000108.9V337 N341V337-N339 VanDerWaalsContact C-N 3.29Å; V337-N339 HydrophobicContact CG1-CB 3.91Å; V337-N339 PolarHBondContact O-N 3.03Å; N339-N341 PolarHBondContact O-N 3.41Å
340K33.2Very low45.2Very low209 Ų209100.5 Ų100.591%0.90954%0.537SS*.  trans-75.118.5-174.5-130.1-179.5-172.5-179.70113.5
341N31.1Very low44.4Very low128 Ų128101 Ų10168%0.68454%0.539SS*.  trans-141.2105.4179.9-90.3-18.9000107.9N339N339-N341 PolarHBondContact O-N 3.41Å
342I32.1Very low44.7Very low142 Ų14298.9 Ų98.973%0.72853%0.527SS*.  trans-169.1109.4136.5-87.3142.8000105.7T344I342-T344 VanDerWaalsContact CG2-OG1 3.31Å; I342-T344 WeakPolarHBondContact CG2-OG1 3.48Å; I342-T344 PolarHBondContact O-N 3.22Å
343N33.4Very low45.2Very low170 Ų17094.5 Ų94.591%0.90951%0.507SS*.  trans-75.397.4165.6-80.8-26.8000107.9
344T33Very low45.5Very low95 Ų9599.3 Ų99.358%0.58353%0.532SS*.  trans-158.6134.7157.942.50000110.5I342 N346I342-T344 VanDerWaalsContact CG2-OG1 3.31Å; I342-T344 WeakPolarHBondContact CG2-OG1 3.48Å; I342-T344 PolarHBondContact O-N 3.22Å; T344-N346 PolarHBondContact O-N 3.49Å
345N33.6Very low46.2Very low174 Ų174101 Ų10193%0.9354%0.541SS*.  trans-62.826.9179.1-71.5-31.7000115.6L347N345-L347 PolarHBondContact O-N 2.78Å
346N31.6Very low47.4Very low113 Ų113100 Ų10060%0.60453%0.533SS*.  trans-90.399.3168.8-71-26000107.1T344 N348T344-N346 PolarHBondContact O-N 3.49Å; N346-N348 PolarHBondContact O-N 2.86Å
347L33.7Very low49.5Very low160 Ų16094.6 Ų94.684%0.83851%0.513SS*.  trans-64.168.4167.1-165.676.9000107.9N345 I349N345-L347 PolarHBondContact O-N 2.78Å; L347-I349 PolarHBondContact O-N 3.46Å
348N33.6Very low51.9Low117 Ų11790.9 Ų90.963%0.62649%0.491SS*.  trans-71103.6178.9-78.9-17.4000107N346 L350N346-N348 PolarHBondContact O-N 2.86Å; N348-L350 PolarHBondContact O-N 2.76Å
349I37.8Very low54.6Low61 Ų6188.9 Ų88.931%0.31348%0.475SS..  trans-58.692.1179.8-73.4150.8000109L310 L347 V351L310-I349 HydrophobicContact CD1-CB 4.17Å; L310-I349 HydrophobicContact CD1-CG2 4.35Å; L310-I349 WeakPolarHBondContact CD1-O 3.42Å; L347-I349 PolarHBondContact O-N 3.46Å; I349-V351 HydrophobicContact CB-CG2 4.46Å; I349-V351 HydrophobicContact CG2-CB 4.45Å; I349-V351 HydrophobicContact CG2-CG2 3.22Å; I349-V351 WeakPolarHBondContact O-CG2 3.49Å; I349-V351 PolarHBondContact O-N 2.74Å
350L53.8Low57.4Low70 Ų7088.5 Ų88.537%0.36647%0.473SS..  trans-78.7103.7165.5-63.1170.7000107.4A335 N348 N354A335-L350 WeakPolarHBondContact O-CD2 3.05Å; N348-L350 PolarHBondContact O-N 2.76Å; L350-N354 WeakPolarHBondContact O-CB 3.47Å
351V66.7Low60.1Low9 Ų978.6 Ų78.66%0.05543%0.43CS..  trans-92.3-57.5-160.5-167.70000112.8M303 P304 A307 I349 I355M303-V351 HydrophobicContact CE-CB 3.25Å; M303-V351 HydrophobicContact CE-CG1 3.08Å; M303-V351 HydrophobicContact CE-CG2 4.04Å; M303-V351 HydrophobicContact SD-CG1 3.73Å; P304-V351 HydrophobicContact CG-CG1 4.49Å; A307-V351 HydrophobicContact CB-CG1 4.5Å; A307-V351 HydrophobicContact CB-CG2 3.67Å; I349-V351 HydrophobicContact CB-CG2 4.46Å; I349-V351 HydrophobicContact CG2-CB 4.45Å; I349-V351 HydrophobicContact CG2-CG2 3.22Å; I349-V351 WeakPolarHBondContact O-CG2 3.49Å; I349-V351 PolarHBondContact O-N 2.74Å; V351-I355 HydrophobicContact CG1-CD1 3.47Å; V351-I355 VanDerWaalsContact CG1-CD1 3.47Å; V351-I355 HydrophobicContact CG1-CG1 4.35Å; V351-I355 WeakPolarHBondContact O-CB 2.99Å; V351-I355 WeakPolarHBondContact O-CD1 3.36Å; V351-I355 WeakPolarHBondContact O-CG1 3.46Å; V351-I355 PolarHBondContact O-N 3.3Å
352I77.5Confident63Low0 Ų073.1 Ų73.10%040%0.4CS..Hα-helixtrans-70.6-55-164.8-54.8176.7000111.2L145 L299 M303 I333 N354 I355 L356L145-I352 HydrophobicContact CB-CD1 4.48Å; L145-I352 HydrophobicContact CD2-CD1 4.27Å; L145-I352 HydrophobicContact CG-CD1 4.1Å; L299-I352 HydrophobicContact CD2-CD1 3.93Å; L299-I352 HydrophobicContact CD2-CG1 4.46Å; M303-I352 HydrophobicContact CE-CB 4.46Å; M303-I352 HydrophobicContact CE-CD1 4.19Å; M303-I352 HydrophobicContact CE-CG1 3.3Å; M303-I352 HydrophobicContact SD-CG1 4.18Å; I333-I352 HydrophobicContact CG2-CD1 3.63Å; I333-I352 HydrophobicContact CG2-CG1 3.97Å; I352-N354 VanDerWaalsContact C-N 3.27Å; I352-N354 PolarHBondContact O-N 2.79Å; I352-I355 PolarHBondContact O-N 3.18Å; I352-L356 HydrophobicContact CG2-CD1 3.72Å; I352-L356 HydrophobicContact CG2-CG 4.15Å; I352-L356 WeakPolarHBondContact O-CB 3.42Å; I352-L356 WeakPolarHBondContact O-CG 3.39Å; I352-L356 PolarHBondContact O-N 2.91Å
353V79.5Confident65.8Low10 Ų1067.1 Ų67.16%0.06137%0.374CS..Hα-helixtrans-64.5-33.5-177.7165.70000111.7F117 Y146 E334 H336 L356 S357F117-V353 HydrophobicContact CD1-CG1 4.16Å; F117-V353 HydrophobicContact CE1-CB 4.46Å; F117-V353 HydrophobicContact CE1-CG1 3.68Å; F117-V353 HydrophobicContact CE1-CG2 4.32Å; Y146-V353 HydrophobicContact CD2-CG2 3.88Å; Y146-V353 HydrophobicContact CE2-CG2 3.66Å; E334-V353 WeakPolarHBondContact O-CB 3.4Å; E334-V353 WeakPolarHBondContact O-CG2 3.47Å; H336-V353 HydrophobicContact CB-CG1 3.86Å; V353-L356 PolarHBondContact O-N 3.49Å; V353-S357 WeakPolarHBondContact O-CB 3.49Å; V353-S357 PolarHBondContact O-N 2.89Å; V353-S357 PolarHBondContact O-OG 2.63Å
354N79Confident68.4Low104 Ų10460.3 Ų60.356%0.55634%0.341SS*.Hα-helixtrans-67.5-43.5175.5-169.741000111.9L350 I352 S357 S358L350-N354 WeakPolarHBondContact O-CB 3.47Å; I352-N354 VanDerWaalsContact C-N 3.27Å; I352-N354 PolarHBondContact O-N 2.79Å; N354-S357 PolarHBondContact O-N 3.15Å; N354-S358 PolarHBondContact O-N 2.94Å
355I82.9Confident71.1Confident44 Ų4455.8 Ų55.823%0.22631%0.313CS..Hα-helixtrans-64.4-42.8175-64.9169.6000110.4L142 P304 V351 I352 S358 C361L142-I355 HydrophobicContact CD1-CG2 3.52Å; P304-I355 HydrophobicContact CG-CD1 4.35Å; V351-I355 HydrophobicContact CG1-CD1 3.47Å; V351-I355 VanDerWaalsContact CG1-CD1 3.47Å; V351-I355 HydrophobicContact CG1-CG1 4.35Å; V351-I355 WeakPolarHBondContact O-CB 2.99Å; V351-I355 WeakPolarHBondContact O-CD1 3.36Å; V351-I355 WeakPolarHBondContact O-CG1 3.46Å; V351-I355 PolarHBondContact O-N 3.3Å; I352-I355 PolarHBondContact O-N 3.18Å; I355-S358 WeakPolarHBondContact O-CB 3.37Å; I355-S358 PolarHBondContact O-N 3.16Å; I355-S358 PolarHBondContact O-OG 3.27Å; I355-C361 WeakPolarHBondContact O-CB 3.32Å; I355-C361 PolarHBondContact O-SG 3.14Å
356L86.8Confident73.8Confident0 Ų049.6 Ų49.60%028%0.278CS..Hα-helixtrans-65.7-39.5177.6-69.7175.7000112F117 F130 L134 L142 L143 Y146 I352 V353 S358 C361 F362F117-L356 HydrophobicContact CE2-CB 3.81Å; F117-L356 HydrophobicContact CZ-CB 3.62Å; F117-L356 HydrophobicContact CZ-CD1 4.33Å; F130-L356 HydrophobicContact CE1-CB 4.37Å; F130-L356 HydrophobicContact CE1-CD2 4.14Å; F130-L356 HydrophobicContact CZ-CD2 4.42Å; L134-L356 HydrophobicContact CD1-CD2 3.64Å; L142-L356 HydrophobicContact CB-CD2 3.85Å; L142-L356 HydrophobicContact CB-CG 4.49Å; L143-L356 HydrophobicContact CB-CD2 4.14Å; L143-L356 HydrophobicContact CD1-CD1 4.1Å; Y146-L356 HydrophobicContact CG-CD1 4.47Å; I352-L356 HydrophobicContact CG2-CD1 3.72Å; I352-L356 HydrophobicContact CG2-CG 4.15Å; I352-L356 WeakPolarHBondContact O-CB 3.42Å; I352-L356 WeakPolarHBondContact O-CG 3.39Å; I352-L356 PolarHBondContact O-N 2.91Å; V353-L356 PolarHBondContact O-N 3.49Å; L356-S358 PolarHBondContact O-N 2.98Å; L356-C361 WeakPolarHBondContact O-CB 3.31Å; L356-F362 WeakPolarHBondContact O-CB 3.24Å; L356-F362 PolarHBondContact O-N 2.85Å
357S87.7Confident76.3Confident40 Ų4051.9 Ų51.928%0.2828%0.278SS..Hα-helixtrans-75.6-7.6177.1-57.40000113.5F117 V353 N354F117-S357 WeakPolarHBondContact CD1-OG 3.33Å; F117-S357 VanDerWaalsContact CG-OG 3.27Å; F117-S357 WeakPolarHBondContact CG-OG 3.47Å; V353-S357 WeakPolarHBondContact O-CB 3.49Å; V353-S357 PolarHBondContact O-N 2.89Å; V353-S357 PolarHBondContact O-OG 2.63Å; N354-S357 PolarHBondContact O-N 3.15Å
358S85.4Confident78.7Confident24 Ų2445 Ų4517%0.16824%0.244CC..SBendtrans-64.4161.4-174.874.50000113N354 I355 L356 D360 C361 F362 G363N354-S358 PolarHBondContact O-N 2.94Å; I355-S358 WeakPolarHBondContact O-CB 3.37Å; I355-S358 PolarHBondContact O-N 3.16Å; I355-S358 PolarHBondContact O-OG 3.27Å; L356-S358 PolarHBondContact O-N 2.98Å; S358-D360 PolarHBondContact O-N 2.87Å; S358-D360 VanDerWaalsContact O-N 3.15Å; S358-D360 PolarHBondContact OG-N 2.84Å; S358-C361 PolarHBondContact O-N 3.41Å; S358-C361 VanDerWaalsContact O-N 3.15Å; S358-C361 PolarHBondContact OG-N 3.15Å; S358-F362 PolarHBondContact O-N 2.94Å; S358-F362 VanDerWaalsContact O-N 3.17Å; S358-G363 PolarHBondContact O-N 3.46Å
359P86.7Confident81Confident82 Ų8242.6 Ų42.653%0.53224%0.236SC..THydrogen-bonded Turntrans-56.4-26.2173.4-26.335.9000114.4G363 A364P359-G363 CarbonylContact O-C 3.34Å; P359-G363 WeakPolarHBondContact O-CA 3.2Å; P359-A364 PolarHBondContact O-N 3.28Å
360D86.1Confident83Confident107 Ų10742.4 Ų42.457%0.57223%0.233SC*.THydrogen-bonded Turntrans-88.1-9.4-177-57.9-25.5000113.4I137 S358I137-D360 WeakPolarHBondContact CD1-O 3.48Å; S358-D360 PolarHBondContact O-N 2.87Å; S358-D360 VanDerWaalsContact O-N 3.15Å; S358-D360 PolarHBondContact OG-N 2.84Å
361C90.1Very high84.5Confident0 Ų039.2 Ų39.20%022%0.217CC..THydrogen-bonded Turntrans-117.1-91178.4-68.40000108.4F130 F133 L134 K139 I355 L356 S358 G363 A364 F365F130-C361 HydrophobicContact CZ-CB 4.26Å; F133-C361 VanDerWaalsContact CE1-O 3.24Å; F133-C361 WeakPolarHBondContact CE1-O 3.23Å; L134-C361 HydrophobicContact CD2-CB 3.93Å; K139-C361 VanDerWaalsContact CD-SG 3.58Å; I355-C361 WeakPolarHBondContact O-CB 3.32Å; I355-C361 PolarHBondContact O-SG 3.14Å; L356-C361 WeakPolarHBondContact O-CB 3.31Å; S358-C361 PolarHBondContact O-N 3.41Å; S358-C361 VanDerWaalsContact O-N 3.15Å; S358-C361 PolarHBondContact OG-N 3.15Å; C361-G363 VanDerWaalsContact C-N 3.34Å; C361-G363 PolarHBondContact O-N 2.85Å; C361-A364 PolarHBondContact O-N 3.22Å; C361-F365 PolarHBondContact O-N 2.75Å
362F92.5Very high85.2Confident14 Ų1440 Ų406%0.06122%0.22CC..Hα-helixtrans-62.5-37.4-179.4-177.3-127000113.6M115 F117 L120 F130 L356 S358 F365 K366M115-F362 VanDerWaalsContact O-CZ 3.3Å; M115-F362 WeakPolarHBondContact O-CZ 3.49Å; F117-F362 HydrophobicContact CB-CD1 3.84Å; F117-F362 HydrophobicContact CB-CE1 3.66Å; F117-F362 HydrophobicContact CB-CG 4.43Å; F117-F362 HydrophobicContact CB-CZ 4.15Å; F117-F362 HydrophobicContact CD2-CB 3.94Å; F117-F362 AromaticContact CD2-CD1 3.98Å; F117-F362 HydrophobicContact CD2-CD1 3.98Å; F117-F362 HydrophobicContact CD2-CD2 4.04Å; F117-F362 HydrophobicContact CD2-CE1 4.43Å; F117-F362 AromaticContact CD2-CG 3.74Å; F117-F362 HydrophobicContact CD2-CG 3.74Å; F117-F362 HydrophobicContact CE2-CB 4.44Å; F117-F362 HydrophobicContact CG-CD1 4.39Å; F117-F362 VanDerWaalsContact N-CE1 3.34Å; L120-F362 HydrophobicContact CB-CE2 4.21Å; L120-F362 HydrophobicContact CD1-CD2 3.85Å; L120-F362 HydrophobicContact CD1-CE2 3.45Å; L120-F362 VanDerWaalsContact CD1-CE2 3.45Å; L120-F362 HydrophobicContact CG-CE2 4.42Å; F130-F362 HydrophobicContact CE2-CB 4.36Å; F130-F362 HydrophobicContact CZ-CB 4.2Å; L356-F362 WeakPolarHBondContact O-CB 3.24Å; L356-F362 PolarHBondContact O-N 2.85Å; S358-F362 PolarHBondContact O-N 2.94Å; S358-F362 VanDerWaalsContact O-N 3.17Å; F362-F365 HydrophobicContact CD2-CD1 4.12Å; F362-F365 HydrophobicContact CE2-CD1 4.29Å; F362-F365 WeakPolarHBondContact O-CB 3.44Å; F362-F365 PolarHBondContact O-N 3.48Å; F362-K366 HydrophobicContact CE1-CD 4.39Å; F362-K366 HydrophobicContact CE2-CG 4.42Å; F362-K366 HydrophobicContact CZ-CD 4.39Å; F362-K366 HydrophobicContact CZ-CG 4.5Å; F362-K366 PolarHBondContact O-N 3.23Å
363G89.4Confident85.2Confident16 Ų1643.1 Ų43.117%0.16524%0.235CC..Hα-helixtrans-65.6-38.3175.500000113.1S358 P359 C361 K366 R367S358-G363 PolarHBondContact O-N 3.46Å; P359-G363 CarbonylContact O-C 3.34Å; P359-G363 WeakPolarHBondContact O-CA 3.2Å; C361-G363 VanDerWaalsContact C-N 3.34Å; C361-G363 PolarHBondContact O-N 2.85Å; G363-K366 PolarHBondContact O-N 2.99Å; G363-R367 WeakPolarHBondContact O-CG 3.09Å
364A88.9Confident85.3Confident26 Ų2642.8 Ų42.822%0.21523%0.232CC..Hα-helixtrans-71.1-37176.400000111F133 P359 C361 K366 R367 S368F133-A364 HydrophobicContact CE1-CB 4.13Å; F133-A364 VanDerWaalsContact CZ-C 3.44Å; F133-A364 HydrophobicContact CZ-CB 3.57Å; P359-A364 PolarHBondContact O-N 3.28Å; C361-A364 PolarHBondContact O-N 3.22Å; A364-K366 PolarHBondContact O-N 3.43Å; A364-R367 PolarHBondContact O-N 3.29Å; A364-R367 VanDerWaalsContact O-N 3.12Å; A364-S368 PolarHBondContact O-N 3.34Å
365F90.4Very high85.4Confident0 Ų037.8 Ų37.80%021%0.206CC..Hα-helixtrans-57.3-48.8171.7178.2-123.5000111.4L120 C129 F130 F133 C361 F362 R367 S368 Q370 Y371 L374L120-F365 HydrophobicContact CD1-CD1 3.83Å; L120-F365 HydrophobicContact CD1-CE1 3.49Å; L120-F365 VanDerWaalsContact CD1-CE1 3.49Å; C129-F365 HydrophobicContact CB-CZ 4.3Å; F130-F365 HydrophobicContact CB-CE1 4.45Å; F130-F365 HydrophobicContact CD2-CB 3.93Å; F130-F365 AromaticContact CD2-CD1 3.87Å; F130-F365 HydrophobicContact CD2-CD1 3.87Å; F130-F365 HydrophobicContact CD2-CD2 4.29Å; F130-F365 HydrophobicContact CD2-CE1 4.44Å; F130-F365 AromaticContact CD2-CG 3.77Å; F130-F365 HydrophobicContact CD2-CG 3.77Å; F130-F365 HydrophobicContact CE2-CB 3.97Å; F130-F365 HydrophobicContact CE2-CG 4.32Å; F133-F365 HydrophobicContact CB-CD2 3.44Å; F133-F365 VanDerWaalsContact CB-CD2 3.44Å; F133-F365 HydrophobicContact CB-CE2 3.92Å; F133-F365 HydrophobicContact CB-CG 4.37Å; F133-F365 HydrophobicContact CD1-CB 3.57Å; F133-F365 AromaticContact CD1-CD2 3.97Å; F133-F365 HydrophobicContact CD1-CD2 3.97Å; F133-F365 HydrophobicContact CD1-CG 4.16Å; F133-F365 HydrophobicContact CD2-CB 4.42Å; F133-F365 HydrophobicContact CD2-CD2 4Å; F133-F365 HydrophobicContact CE1-CB 3.77Å; F133-F365 HydrophobicContact CG-CB 3.94Å; F133-F365 AromaticContact CG-CD2 3.5Å; F133-F365 HydrophobicContact CG-CD2 3.5Å; F133-F365 HydrophobicContact CG-CE2 4.43Å; F133-F365 HydrophobicContact CG-CG 4.15Å; F133-F365 HydrophobicContact CZ-CB 4.29Å; F133-F365 VanDerWaalsContact CZ-N 3.3Å; C361-F365 PolarHBondContact O-N 2.75Å; F362-F365 HydrophobicContact CD2-CD1 4.12Å; F362-F365 HydrophobicContact CE2-CD1 4.29Å; F362-F365 WeakPolarHBondContact O-CB 3.44Å; F362-F365 PolarHBondContact O-N 3.48Å; F365-R367 PolarHBondContact O-N 3.32Å; F365-S368 WeakPolarHBondContact O-CB 3.32Å; F365-S368 PolarHBondContact O-N 2.9Å; F365-S368 PolarHBondContact O-OG 3.35Å; F365-Q370 HydrophobicContact CD2-CB 4.44Å; F365-Q370 HydrophobicContact CE2-CB 3.9Å; F365-Y371 AromaticContact CD1-CD2 3.96Å; F365-Y371 HydrophobicContact CD1-CD2 3.96Å; F365-Y371 AromaticContact CE1-CD2 3.59Å; F365-Y371 HydrophobicContact CE1-CD2 3.59Å; F365-Y371 HydrophobicContact CE1-CE2 4.42Å; F365-Y371 HydrophobicContact CE1-CG 4.46Å; F365-Y371 HydrophobicContact CZ-CD2 4.13Å; F365-Y371 WeakPolarHBondContact O-CB 3.47Å; F365-L374 HydrophobicContact CE1-CD2 3.78Å; F365-L374 HydrophobicContact CZ-CB 4.34Å; F365-L374 HydrophobicContact CZ-CD2 3.71Å
366K89.2Confident84.8Confident45 Ų4536.1 Ų36.120%0.19620%0.198CC..Hα-helixtrans-57.3-23.4177-76.2-171.3177.4-177.40114.6D114 M115 F362 G363 A364 Y371D114-K366 WeakPolarHBondContact OD1-CE 3.4Å; D114-K366 IonicContact OD1-NZ 2.92Å; D114-K366 PolarHBondContact OD1-NZ 2.82Å; D114-K366 IonicContact OD2-NZ 3.3Å; M115-K366 WeakPolarHBondContact O-CE 3.48Å; M115-K366 PolarHBondContact O-NZ 3.12Å; F362-K366 HydrophobicContact CE1-CD 4.39Å; F362-K366 HydrophobicContact CE2-CG 4.42Å; F362-K366 HydrophobicContact CZ-CD 4.39Å; F362-K366 HydrophobicContact CZ-CG 4.5Å; F362-K366 PolarHBondContact O-N 3.23Å; G363-K366 PolarHBondContact O-N 2.99Å; A364-K366 PolarHBondContact O-N 3.43Å; K366-Y371 HydrophobicContact CB-CD1 4.49Å; K366-Y371 HydrophobicContact CG-CD2 4.45Å; K366-Y371 HydrophobicContact CG-CE1 4.4Å; K366-Y371 HydrophobicContact CG-CE2 4.26Å
367R85.1Confident84Confident160 Ų16037.8 Ų37.860%0.60421%0.206SC*.THydrogen-bonded Turntrans-93.9-5.2177.6-59.2179.1-161.5137.24.3113G363 A364 F365 P397G363-R367 WeakPolarHBondContact O-CG 3.09Å; A364-R367 PolarHBondContact O-N 3.29Å; A364-R367 VanDerWaalsContact O-N 3.12Å; F365-R367 PolarHBondContact O-N 3.32Å; R367-P397 HydrophobicContact CB-CG 4.37Å; R367-P397 HydrophobicContact CG-CB 4.4Å; R367-P397 HydrophobicContact CG-CG 4.01Å
368S84Confident83.5Confident17 Ų1737.3 Ų37.312%0.11920%0.2CC..SBendtrans-90.9158.9-175.989.70000111.8A364 F365 Q370 Y371A364-S368 PolarHBondContact O-N 3.34Å; F365-S368 WeakPolarHBondContact O-CB 3.32Å; F365-S368 PolarHBondContact O-N 2.9Å; F365-S368 PolarHBondContact O-OG 3.35Å; S368-Q370 PolarHBondContact O-N 2.81Å; S368-Q370 PolarHBondContact OG-N 3.32Å; S368-Q370 PolarHBondContact OG-OE1 3.09Å; S368-Y371 PolarHBondContact O-N 3.11Å
369S81.6Confident82.7Confident66 Ų6638.3 Ų38.346%0.46220%0.204SC..Hα-helixtrans-63.5-29.3174.356.30000112.1Y371 I372 H373S369-Y371 VanDerWaalsContact C-N 3.28Å; S369-Y371 PolarHBondContact O-N 2.85Å; S369-I372 WeakPolarHBondContact O-CB 3.4Å; S369-I372 PolarHBondContact O-N 3.46Å; S369-I372 VanDerWaalsContact O-N 3.16Å; S369-H373 PolarHBondContact O-CD2 2.93Å; S369-H373 PolarHBondContact O-N 3.39Å; S369-H373 VanDerWaalsContact O-N 3.11Å
370Q79.8Confident82.2Confident56 Ų5636.5 Ų36.526%0.26219%0.189SC..Hα-helixtrans-60.8-34.9177-62.994.1-12.300112.5C129 F365 S368 I372 H373 L374C129-Q370 PolarHBondContact SG-O 3.37Å; F365-Q370 HydrophobicContact CD2-CB 4.44Å; F365-Q370 HydrophobicContact CE2-CB 3.9Å; S368-Q370 PolarHBondContact O-N 2.81Å; S368-Q370 PolarHBondContact OG-N 3.32Å; S368-Q370 PolarHBondContact OG-OE1 3.09Å; Q370-I372 VanDerWaalsContact C-N 3.34Å; Q370-I372 PolarHBondContact O-N 3.04Å; Q370-H373 WeakPolarHBondContact O-CB 3.25Å; Q370-H373 PolarHBondContact O-N 2.96Å; Q370-L374 PolarHBondContact O-N 3.42Å
371Y85.6Confident81.3Confident4 Ų433.5 Ų33.52%0.01617%0.173CC..Hα-helixtrans-65.5-37.9176.1-179.1-111.9000112.4I112 Y113 M115 F365 K366 S368 S369 H373 L374 L375I112-Y371 HydrophobicContact CD1-CD1 4.29Å; I112-Y371 HydrophobicContact CD1-CE1 4.12Å; Y113-Y371 PolarHBondContact O-OH 3.4Å; M115-Y371 HydrophobicContact CB-CE2 4.06Å; M115-Y371 WeakPolarHBondContact CB-OH 3.37Å; M115-Y371 PolarHBondContact N-OH 2.85Å; F365-Y371 AromaticContact CD1-CD2 3.96Å; F365-Y371 HydrophobicContact CD1-CD2 3.96Å; F365-Y371 AromaticContact CE1-CD2 3.59Å; F365-Y371 HydrophobicContact CE1-CD2 3.59Å; F365-Y371 HydrophobicContact CE1-CE2 4.42Å; F365-Y371 HydrophobicContact CE1-CG 4.46Å; F365-Y371 HydrophobicContact CZ-CD2 4.13Å; F365-Y371 WeakPolarHBondContact O-CB 3.47Å; K366-Y371 HydrophobicContact CB-CD1 4.49Å; K366-Y371 HydrophobicContact CG-CD2 4.45Å; K366-Y371 HydrophobicContact CG-CE1 4.4Å; K366-Y371 HydrophobicContact CG-CE2 4.26Å; S368-Y371 PolarHBondContact O-N 3.11Å; S369-Y371 VanDerWaalsContact C-N 3.28Å; S369-Y371 PolarHBondContact O-N 2.85Å; Y371-H373 VanDerWaalsContact C-N 3.32Å; Y371-H373 PolarHBondContact O-N 2.78Å; Y371-L374 HydrophobicContact CD2-CD2 4.44Å; Y371-L374 WeakPolarHBondContact O-CB 3.35Å; Y371-L374 PolarHBondContact O-N 2.83Å; Y371-L375 HydrophobicContact CD1-CD1 4.12Å; Y371-L375 HydrophobicContact CD1-CG 4.39Å; Y371-L375 HydrophobicContact CE1-CD1 3.6Å; Y371-L375 HydrophobicContact CE1-CD2 4.39Å; Y371-L375 HydrophobicContact CE1-CG 4.03Å; Y371-L375 HydrophobicContact CE2-CD2 4.21Å; Y371-L375 HydrophobicContact CE2-CG 4.36Å; Y371-L375 WeakPolarHBondContact O-CG 3.37Å; Y371-L375 PolarHBondContact O-N 3.37Å
372I81Confident79.7Confident24 Ų2440.7 Ų40.712%0.12320%0.204CC..Hα-helixtrans-64-42.2174.8-54.6175.3000110Y104 L106 S369 Q370 L374 L375 A376 L381 I399Y104-I372 HydrophobicContact CD2-CG2 3.31Å; Y104-I372 HydrophobicContact CE2-CG2 3.78Å; Y104-I372 HydrophobicContact CG-CG2 4.1Å; L106-I372 HydrophobicContact CD1-CD1 4.18Å; L106-I372 HydrophobicContact CD1-CG2 4.17Å; S369-I372 WeakPolarHBondContact O-CB 3.4Å; S369-I372 PolarHBondContact O-N 3.46Å; S369-I372 VanDerWaalsContact O-N 3.16Å; Q370-I372 VanDerWaalsContact C-N 3.34Å; Q370-I372 PolarHBondContact O-N 3.04Å; I372-L374 PolarHBondContact O-N 2.9Å; I372-L375 PolarHBondContact O-N 3.35Å; I372-A376 PolarHBondContact O-N 3.38Å; I372-L381 HydrophobicContact CG2-CD1 4.16Å; I372-I399 HydrophobicContact CD1-CD1 4.48Å
373H78.3Confident77.4Confident67 Ų6747.7 Ų47.731%0.3124%0.237SC..Hα-helixtrans-60.9-42.3173.7-70.8-61.9000112.4S369 Q370 Y371 A376 E377S369-H373 PolarHBondContact O-CD2 2.93Å; S369-H373 PolarHBondContact O-N 3.39Å; S369-H373 VanDerWaalsContact O-N 3.11Å; Q370-H373 WeakPolarHBondContact O-CB 3.25Å; Q370-H373 PolarHBondContact O-N 2.96Å; Y371-H373 VanDerWaalsContact C-N 3.32Å; Y371-H373 PolarHBondContact O-N 2.78Å; H373-A376 WeakPolarHBondContact O-CB 3.49Å; H373-A376 PolarHBondContact O-N 3.47Å; H373-E377 WeakPolarHBondContact O-CB 3.43Å; H373-E377 PolarHBondContact O-N 3.07Å
374L80.8Confident74.8Confident2 Ų250.1 Ų50.11%0.0125%0.25CS..Hα-helixtrans-60.3-47.3174.9173.560.8000112M115 V125 A126 C129 F365 Q370 Y371 I372 A376 E377 L378M115-L374 HydrophobicContact CE-CD2 3.97Å; M115-L374 HydrophobicContact CE-CG 4.27Å; M115-L374 HydrophobicContact SD-CD2 4.22Å; V125-L374 HydrophobicContact CG1-CD1 3.93Å; A126-L374 VanDerWaalsContact CA-CD1 3.48Å; A126-L374 HydrophobicContact CB-CD1 3.84Å; A126-L374 HydrophobicContact CB-CD2 3.74Å; A126-L374 HydrophobicContact CB-CG 4.38Å; C129-L374 HydrophobicContact CB-CB 4.26Å; C129-L374 HydrophobicContact CB-CD1 4.15Å; F365-L374 HydrophobicContact CE1-CD2 3.78Å; F365-L374 HydrophobicContact CZ-CB 4.34Å; F365-L374 HydrophobicContact CZ-CD2 3.71Å; Q370-L374 PolarHBondContact O-N 3.42Å; Y371-L374 HydrophobicContact CD2-CD2 4.44Å; Y371-L374 WeakPolarHBondContact O-CB 3.35Å; Y371-L374 PolarHBondContact O-N 2.83Å; I372-L374 PolarHBondContact O-N 2.9Å; L374-A376 PolarHBondContact O-N 3.43Å; L374-E377 PolarHBondContact O-N 3.29Å; L374-E377 VanDerWaalsContact O-N 3.15Å; L374-L378 HydrophobicContact CD1-CD1 3.79Å; L374-L378 HydrophobicContact CD1-CG 3.98Å; L374-L378 HydrophobicContact CG-CD1 4.1Å; L374-L378 WeakPolarHBondContact O-CG 3.44Å; L374-L378 PolarHBondContact O-N 3.15Å
375L80.5Confident72.2Confident0 Ų056.2 Ų56.20%028%0.278CS..Hα-helixtrans-60.5-34.5179.1-69.4-175.7000111.6I112 Y113 M115 Y371 I372 D379 L380 L381I112-L375 HydrophobicContact CB-CD1 4.11Å; I112-L375 HydrophobicContact CD1-CD1 4.46Å; Y113-L375 HydrophobicContact CD1-CD2 3.91Å; Y113-L375 HydrophobicContact CG-CD2 4.5Å; M115-L375 HydrophobicContact CE-CD2 3.84Å; Y371-L375 HydrophobicContact CD1-CD1 4.12Å; Y371-L375 HydrophobicContact CD1-CG 4.39Å; Y371-L375 HydrophobicContact CE1-CD1 3.6Å; Y371-L375 HydrophobicContact CE1-CD2 4.39Å; Y371-L375 HydrophobicContact CE1-CG 4.03Å; Y371-L375 HydrophobicContact CE2-CD2 4.21Å; Y371-L375 HydrophobicContact CE2-CG 4.36Å; Y371-L375 WeakPolarHBondContact O-CG 3.37Å; Y371-L375 PolarHBondContact O-N 3.37Å; I372-L375 PolarHBondContact O-N 3.35Å; L375-D379 PolarHBondContact O-N 3.11Å; L375-L380 HydrophobicContact CB-CB 4.37Å; L375-L380 HydrophobicContact CD2-CB 4.02Å; L375-L380 HydrophobicContact CD2-CD1 4.02Å; L375-L380 WeakPolarHBondContact O-CA 3.36Å; L375-L380 PolarHBondContact O-N 3.25Å; L375-L381 HydrophobicContact CB-CD1 4.47Å; L375-L381 HydrophobicContact CB-CD2 3.66Å; L375-L381 HydrophobicContact CB-CG 3.72Å; L375-L381 HydrophobicContact CD1-CD2 3.94Å; L375-L381 HydrophobicContact CG-CD2 4.49Å; L375-L381 PolarHBondContact O-N 3.37Å
376A70.2Confident69.7Low8 Ų865.8 Ų65.87%0.06632%0.323CS..Hα-helixtrans-67.2-46.9173.400000113Y104 I372 H373 L374 L378 D379 L381Y104-A376 HydrophobicContact CE1-CB 4.09Å; Y104-A376 HydrophobicContact CE2-CB 4.08Å; Y104-A376 WeakPolarHBondContact OH-CB 3.41Å; I372-A376 PolarHBondContact O-N 3.38Å; H373-A376 WeakPolarHBondContact O-CB 3.49Å; H373-A376 PolarHBondContact O-N 3.47Å; L374-A376 PolarHBondContact O-N 3.43Å; A376-L378 PolarHBondContact O-N 3.31Å; A376-D379 PolarHBondContact O-N 2.68Å; A376-L381 HydrophobicContact CB-CD1 3.59Å; A376-L381 HydrophobicContact CB-CG 4.43Å
377E71.5Confident67Low35 Ų3572.6 Ų72.616%0.16436%0.355CS..Hα-helixtrans-60.2-28.4-178.7-163.665-14600111.8V125 H373 L374 G810 N811 E812 T813V125-E377 HydrophobicContact CG1-CB 4.21Å; V125-E377 HydrophobicContact CG1-CG 3.63Å; H373-E377 WeakPolarHBondContact O-CB 3.43Å; H373-E377 PolarHBondContact O-N 3.07Å; L374-E377 PolarHBondContact O-N 3.29Å; L374-E377 VanDerWaalsContact O-N 3.15Å; E377-G810 VanDerWaalsContact OE1-C 3.26Å; E377-G810 VanDerWaalsContact OE1-CA 3.24Å; E377-G810 WeakPolarHBondContact OE1-CA 3.38Å; E377-N811 WeakPolarHBondContact O-CB 3.5Å; E377-N811 PolarHBondContact O-N 3.14Å; E377-E812 PolarHBondContact OE1-N 3.11Å; E377-T813 WeakPolarHBondContact OE1-CA 3.26Å; E377-T813 WeakPolarHBondContact OE1-CB 3.3Å; E377-T813 PolarHBondContact OE1-N 3.38Å; E377-T813 PolarHBondContact OE1-OG1 2.95Å
378L75.7Confident64.4Low30 Ų3068.1 Ų68.116%0.15735%0.349CS..THydrogen-bonded Turntrans-93.45.2175.2-61.6178.5000114.1M115 K123 V125 L374 A376 L380M115-L378 HydrophobicContact CE-CD1 3.59Å; K123-L378 HydrophobicContact CD-CD1 3.77Å; K123-L378 HydrophobicContact CD-CD2 4.13Å; V125-L378 HydrophobicContact CB-CD2 4.34Å; V125-L378 HydrophobicContact CG1-CD2 4.38Å; L374-L378 HydrophobicContact CD1-CD1 3.79Å; L374-L378 HydrophobicContact CD1-CG 3.98Å; L374-L378 HydrophobicContact CG-CD1 4.1Å; L374-L378 WeakPolarHBondContact O-CG 3.44Å; L374-L378 PolarHBondContact O-N 3.15Å; A376-L378 PolarHBondContact O-N 3.31Å; L378-L380 HydrophobicContact CB-CD1 3.79Å; L378-L380 HydrophobicContact CB-CG 3.83Å; L378-L380 HydrophobicContact CD1-CD1 3.91Å; L378-L380 PolarHBondContact O-N 3.48Å
379D68.8Low62Low46 Ų4673.6 Ų73.625%0.24639%0.387CS..THydrogen-bonded Turntrans54.233-174.2-78.5-47.9000114.3L375 A376 K382 N811 R815L375-D379 PolarHBondContact O-N 3.11Å; A376-D379 PolarHBondContact O-N 2.68Å; D379-K382 WeakPolarHBondContact O-CE 3.43Å; D379-N811 WeakPolarHBondContact OD2-CB 3.32Å; D379-N811 PolarHBondContact OD2-ND2 2.81Å; D379-R815 IonicContact OD1-NH1 3.97Å
380L76.5Confident60.1Low43 Ų4373 Ų7323%0.22538%0.383CS..  trans-94.6-6.6178.7-62.5174.6000113.5Y113 M115 L375 L378 K382Y113-L380 HydrophobicContact CD1-CB 4.43Å; Y113-L380 HydrophobicContact CD1-CD1 3.8Å; Y113-L380 HydrophobicContact CE1-CD1 3.91Å; Y113-L380 HydrophobicContact CG-CB 4.36Å; Y113-L380 HydrophobicContact CG-CD1 4.46Å; M115-L380 HydrophobicContact CE-CD1 3.95Å; L375-L380 HydrophobicContact CB-CB 4.37Å; L375-L380 HydrophobicContact CD2-CB 4.02Å; L375-L380 HydrophobicContact CD2-CD1 4.02Å; L375-L380 WeakPolarHBondContact O-CA 3.36Å; L375-L380 PolarHBondContact O-N 3.25Å; L378-L380 HydrophobicContact CB-CD1 3.79Å; L378-L380 HydrophobicContact CB-CG 3.83Å; L378-L380 HydrophobicContact CD1-CD1 3.91Å; L378-L380 PolarHBondContact O-N 3.48Å; L380-K382 PolarHBondContact O-N 3.2Å
381L66.4Low58.8Low45 Ų4575.8 Ų75.824%0.23641%0.408CS..  trans-79.663.7169-64.2177.2000110.6Y104 I112 I372 L375 A376Y104-L381 HydrophobicContact CD1-CD1 3.39Å; Y104-L381 HydrophobicContact CD2-CD1 3.9Å; Y104-L381 HydrophobicContact CE1-CD1 3.14Å; Y104-L381 HydrophobicContact CE1-CG 4.47Å; Y104-L381 HydrophobicContact CE2-CD1 3.68Å; Y104-L381 HydrophobicContact CG-CD1 3.8Å; I112-L381 HydrophobicContact CG2-CD2 4.43Å; I372-L381 HydrophobicContact CG2-CD1 4.16Å; L375-L381 HydrophobicContact CB-CD1 4.47Å; L375-L381 HydrophobicContact CB-CD2 3.66Å; L375-L381 HydrophobicContact CB-CG 3.72Å; L375-L381 HydrophobicContact CD1-CD2 3.94Å; L375-L381 HydrophobicContact CG-CD2 4.49Å; L375-L381 PolarHBondContact O-N 3.37Å; A376-L381 HydrophobicContact CB-CD1 3.59Å; A376-L381 HydrophobicContact CB-CG 4.43Å
382K56.6Low57.8Low150 Ų15078.8 Ų78.865%0.65243%0.425SS*.  trans-102.8127.2169.9-69.4174-176.4164.10108D379 L380D379-K382 WeakPolarHBondContact O-CE 3.43Å; L380-K382 PolarHBondContact O-N 3.2Å
383E44.8Very low57Low162 Ų16279.9 Ų79.976%0.75743%0.429SS*.  trans-55.7135.3164.4-78.6179.1170.300108.1L385E383-L385 PolarHBondContact O-N 3.17Å
384P35.9Very low56.4Low67 Ų6780.4 Ų80.444%0.43543%0.433SS..  trans-58.6113.5178.721.4-29.6000108.5E386P384-E386 PolarHBondContact O-N 3.37Å
385L34.2Very low55.2Low154 Ų15483.8 Ų83.881%0.80646%0.457SS*.  trans-52.9128.7158.9-70.4165000105.3E383 Q387 S388E383-L385 PolarHBondContact O-N 3.17Å; L385-Q387 PolarHBondContact O-N 3.48Å; L385-S388 PolarHBondContact O-N 2.98Å
386E36.8Very low53.8Low200 Ų20085.9 Ų85.994%0.93547%0.468SS*.THydrogen-bonded Turntrans-57.819.6-165.5-64.4-175.3148.400116.7P384P384-E386 PolarHBondContact O-N 3.37Å
387Q32.7Very low52.5Low188 Ų18887.6 Ų87.688%0.87948%0.478SS*.THydrogen-bonded Turntrans-132.43.9-176.4-66.6-177.2-5.900115.7L385L385-Q387 PolarHBondContact O-N 3.48Å
388S30.3Very low50.7Low67 Ų6792 Ų9247%0.46951%0.51SS..  trans-97.294.8172.560.30000112.2L385 S390L385-S388 PolarHBondContact O-N 2.98Å; S388-S390 PolarHBondContact O-N 3.06Å
389S33.4Very low48.8Very low132 Ų13295.5 Ų95.592%0.92353%0.528SS*.  trans-66.276.9160.1-42.30000109.4
390S42Very low46.9Very low53 Ų5398.1 Ų98.137%0.37155%0.55SS..  trans-123.4128.6-179.253.90000111.4S388 N392 F393S388-S390 PolarHBondContact O-N 3.06Å; S390-N392 PolarHBondContact O-N 3.15Å; S390-F393 WeakPolarHBondContact OG-CE2 3.47Å
391S53.5Low44.5Very low114 Ų114103.2 Ų103.280%0.79758%0.577SS**SBendtrans-62.4-1.8-178.148.20000116.3F393S391-F393 PolarHBondContact O-N 3.04Å
392N64.2Low42.5Very low68 Ų68108 Ų10836%0.36460%0.603SS.*  trans-9941.8-168-61.23.5000112.6Y113 D114 S390Y113-N392 CarbonylContact C-O 3.54Å; Y113-N392 WeakPolarHBondContact CA-O 3.14Å; Y113-N392 HydrophobicContact CD2-CB 4.32Å; Y113-N392 HydrophobicContact CE2-CB 3.98Å; D114-N392 PolarHBondContact N-O 2.99Å; S390-N392 PolarHBondContact O-N 3.15Å
393F64Low41Very low47 Ų47107.4 Ų107.421%0.20661%0.612CS.*EExtended strand (participates in β ladder)trans-139.3130.1-176.2-80-81.4000111.7R111 I112 S390 S391R111-F393 HydrophobicContact CB-CB 4.03Å; R111-F393 HydrophobicContact CB-CD1 4.11Å; R111-F393 HydrophobicContact CB-CG 4.41Å; R111-F393 WeakPolarHBondContact O-CD1 3.23Å; I112-F393 CarbonylContact O-C 3.52Å; I112-F393 VanDerWaalsContact O-CA 3.27Å; I112-F393 WeakPolarHBondContact O-CA 3.45Å; S390-F393 WeakPolarHBondContact OG-CE2 3.47Å; S391-F393 PolarHBondContact O-N 3.04Å
394I65.6Low39.9Very low77 Ų77107.3 Ų107.340%0.39562%0.616SS.*EExtended strand (participates in β ladder)trans-118.9149.1179.1-70.1176.8000110.7R111 I112 D114R111-I394 CarbonylContact C-O 3.56Å; R111-I394 WeakPolarHBondContact CA-O 3.43Å; I112-I394 PolarHBondContact N-O 3.03Å; I112-I394 PolarHBondContact O-N 2.78Å; D114-I394 HydrophobicContact CB-CD1 3.9Å; D114-I394 HydrophobicContact CB-CG1 3.84Å; D114-I394 VanDerWaalsContact OD1-CD1 3.22Å; D114-I394 WeakPolarHBondContact OD1-CD1 3.36Å; D114-I394 VanDerWaalsContact OD2-CD1 3.3Å; D114-I394 WeakPolarHBondContact OD2-CD1 3.46Å
395S55.1Low39.3Very low74 Ų74109.2 Ų109.252%0.51763%0.628SS.*EExtended strand (participates in β ladder)trans-75.6145.3172.7-64.30000112.8
396I51.9Low38.7Very low43 Ų43111 Ų11122%0.22163%0.633CS.*PPolyproline II helixtrans-58.8130.4-176.7-59.8163.6000112L106 Q107 A110L106-I396 HydrophobicContact CB-CD1 3.5Å; L106-I396 HydrophobicContact CD1-CD1 4.31Å; L106-I396 HydrophobicContact CG-CD1 4.47Å; Q107-I396 WeakPolarHBondContact O-CD1 3.38Å; A110-I396 HydrophobicContact CB-CD1 4.16Å; A110-I396 WeakPolarHBondContact O-CG1 3.3Å
397P42.6Very low38Very low45 Ų45106.7 Ų106.729%0.29262%0.624SS.*PPolyproline II helixtrans-75.9143.1165.8-9.625.7000111.3R367 I399R367-P397 HydrophobicContact CB-CG 4.37Å; R367-P397 HydrophobicContact CG-CB 4.4Å; R367-P397 HydrophobicContact CG-CG 4.01Å; P397-I399 PolarHBondContact O-N 3.09Å; P397-I399 VanDerWaalsContact O-N 3.09Å
398P32.9Very low37.5Very low128 Ų128106.9 Ų106.983%0.83163%0.625SS**  trans-61.3115.5178.124.2-31.8000110.6S400P398-S400 PolarHBondContact O-N 3.32Å
399I37.3Very low37.2Very low103 Ų103109.2 Ų109.253%0.52864%0.642SS.*  trans-71.8118.2177.5-59.5171.1000108.1I372 P397 N401I372-I399 HydrophobicContact CD1-CD1 4.48Å; P397-I399 PolarHBondContact O-N 3.09Å; P397-I399 VanDerWaalsContact O-N 3.09Å; I399-N401 PolarHBondContact O-N 3.4Å; I399-N401 VanDerWaalsContact O-N 3.11Å
400S27.8Very low36.6Very low101 Ų101111.6 Ų111.671%0.70664%0.638SS**  trans-64108.9168.7-61.20000109.3P398 D402P398-S400 PolarHBondContact O-N 3.32Å; S400-D402 PolarHBondContact O-N 2.77Å
401N25.9Very low35.6Very low149 Ų149113.8 Ų113.880%0.79765%0.654SS**  trans-74.261.6173.2-79.9-20.2000111.2I399I399-N401 PolarHBondContact O-N 3.4Å; I399-N401 VanDerWaalsContact O-N 3.11Å
402D25.8Very low34.1Very low146 Ų146117 Ų11778%0.78166%0.661SS**  trans-113.654.9172.7-76-32.5000110.6S400S400-D402 PolarHBondContact O-N 2.77Å
403T24.1Very low32Very low138 Ų138118.3 Ų118.385%0.84768%0.676SS**  trans-161.367.3158.5-8.40000110.6
404L22.6Very low30.1Very low159 Ų159124.5 Ų124.583%0.83271%0.705SS**  trans-118.7109.6163.9-159.880.1000108.5Q406L404-Q406 PolarHBondContact O-N 2.94Å
405P23.4Very low28Very low108 Ų108125.5 Ų125.570%0.70172%0.719SS**  trans-66.5119.3171.1-13.527.5000108.9S407P405-S407 PolarHBondContact O-N 3.15Å
406Q20.2Very low26.5Very low191 Ų191129.9 Ų129.989%0.89374%0.736SS**  trans-52102.5174.7-69.9173.3-1100110.6L404L404-Q406 PolarHBondContact O-N 2.94Å
407S23.2Very low25Very low109 Ų109137 Ų13776%0.76277%0.766SS**  trans-104.1106.4159.531.70000107.9P405 S409P405-S407 PolarHBondContact O-N 3.15Å; S407-S409 PolarHBondContact O-N 3.01Å
408Q20.8Very low24.1Very low192 Ų192142.9 Ų142.990%0.89779%0.793SS**  trans-52.5113.5176-64.8167-3.700110.3
409S23.9Very low23.4Very low117 Ų117141.9 Ų141.982%0.81879%0.785SS**  trans-135.5122.6151.439.10000108.2S407S407-S409 PolarHBondContact O-N 3.01Å
410Q22.5Very low22.7Very low181 Ų181142.9 Ų142.985%0.84680%0.796SS**  trans-72.1136.3-164.7-69.3164-29.100111.7
411S19.5Very low22.3Very low99 Ų99143.1 Ų143.169%0.69280%0.797SS**  trans24.9106.3142.460.10000118.6
412L22.5Very low22Very low183 Ų183142.3 Ų142.396%0.95880%0.803SS**  trans-119.797.9130.2-101.299.8000108.7
413S21.4Very low21.8Very low95 Ų95138.6 Ų138.666%0.66480%0.799SS**  trans-70.4127.6161.7500000110
414Q23.4Very low21.6Very low176 Ų176137.4 Ų137.482%0.82280%0.797SS**  171.5111.1119.3-92.5170-1.100110.4
415S21Very low21.7Very low99 Ų99137.7 Ų137.769%0.69280%0.797SS**  trans13.6121.4140.651.80000118.9
416D24.2Very low21.7Very low165 Ų165139 Ų13988%0.88280%0.797SS**  -142.8115.1121.3-93.9-31.5000110.7I418D416-I418 PolarHBondContact O-N 3.28Å
417K20.6Very low21.8Very low193 Ų193137.1 Ų137.184%0.83979%0.788SS**  trans-72.6112.7167.3-89.3175.4170.1177.10107.8
418I23.7Very low21.8Very low168 Ų168140.2 Ų140.286%0.86280%0.796SS**  trans-121108.7148.8-61178.9000106.8D416D416-I418 PolarHBondContact O-N 3.28Å
419T17.8Very low21.8Very low108 Ų108137.7 Ų137.766%0.66379%0.787SS**  trans-98.7153.3176.6-40.60000107.9
420V21.6Very low21.8Very low124 Ų124137.2 Ų137.275%0.75278%0.784SS**  trans108.6106.5152.4-170.40000117
421S20.4Very low22Very low105 Ų105134.3 Ų134.373%0.73478%0.783SS**  trans87.3104.9137.1-66.90000121.7G423S421-G423 PolarHBondContact O-N 3.22Å
422S19.1Very low22.1Very low132 Ų132138.4 Ų138.492%0.92380%0.797SS**  trans-17.5113131.4-45.90000114.5
423G21.5Very low22.2Very low68 Ų68134.4 Ų134.470%0.70178%0.784SS**  trans-151.4100.8172.900000109.6S421S421-G423 PolarHBondContact O-N 3.22Å
424S21.4Very low22.4Very low114 Ų114138.7 Ų138.780%0.79779%0.793SS**  trans-55.7127.7171.3-165.10000111.2
425I24.7Very low22.1Very low165 Ų165138.2 Ų138.285%0.84679%0.793SS**  trans-130.1118.7160.5-61.8-178.1000109.6
426I21.8Very low22.2Very low134 Ų134138.8 Ų138.869%0.68780%0.795SS**  trans-72146.6179.2-75.8164.4000111.6
427H22.4Very low21.9Very low153 Ų153136.4 Ų136.471%0.70879%0.79SS**  trans18.9115.4156-74-91.5000119.8
428N24.1Very low22Very low174 Ų174132.5 Ų132.593%0.9379%0.787SS**  trans-112.689.2146.4-98.7-16000109.7
429I19.8Very low21.9Very low139 Ų139129 Ų12971%0.71378%0.783SS**  trans-90.4117.1149.1-66.3168.1000104.8
430S24Very low22.2Very low106 Ų106131.2 Ų131.274%0.74179%0.791SS**  trans156.589.1148.6-71.30000110
431S26.7Very low22.2Very low120 Ų120130.1 Ų130.184%0.83979%0.788SS**  trans-159.364.2151-75.40000108.3S433S431-S433 PolarHBondContact O-N 3.47Å
432L21.2Very low22.6Very low186 Ų186132.1 Ų132.197%0.97480%0.796SS**  trans-72.9104.5150.3-105.585000106.2
433S26.2Very low22.8Very low98 Ų98133.7 Ų133.769%0.68579%0.788SS**  trans-125.7102.2162.359.10000109.1S431S431-S433 PolarHBondContact O-N 3.47Å
434Q24Very low22.8Very low185 Ų185137.4 Ų137.486%0.86479%0.792SS**  trans62.5106143.3-65.7173.8-17.100118.5
435M18.3Very low22.9Very low166 Ų166138.4 Ų138.482%0.81880%0.798SS**  trans-55140.7144.6-70.4-167.27900111
436P21.8Very low22.7Very low112 Ų112136.3 Ų136.373%0.72779%0.793SS**  trans-91.5116.7142.97.412000108.6S438P436-S438 PolarHBondContact O-N 3.32Å
437C18.9Very low22.6Very low115 Ų115136.8 Ų136.878%0.77780%0.797SS**  trans-68111.9158.5-64.60000108.1
438S22.2Very low22.5Very low111 Ų111142.6 Ų142.678%0.77681%0.812SS**  trans-107101.6160.6-69.30000108.1P436 N440P436-S438 PolarHBondContact O-N 3.32Å; S438-N440 PolarHBondContact O-N 3.23Å
439A21.6Very low22.3Very low95 Ų95142.6 Ų142.679%0.78580%0.804SS**  trans-63.2120164.300000109.1
440N24.7Very low22.2Very low154 Ų154141.9 Ų141.982%0.82481%0.81SS**  trans-141.198.8155.9-92.8-18.6000107.9S438S438-N440 PolarHBondContact O-N 3.23Å
441S22.2Very low22.1Very low101 Ų101144.9 Ų144.971%0.70682%0.816SS**  trans12.9107.3147.2-169.90000117.4
442V27.4Very low21.8Very low146 Ų146147.5 Ų147.589%0.88582%0.815SS**  trans-129.2108.5145.9-177.60000106.1
443E24.1Very low21.8Very low165 Ų165146.6 Ų146.677%0.77181%0.811SS**  trans-64.4146.7-179.4-69.5168.514300112.3
444D20.9Very low21.5Very low147 Ų147149.6 Ų149.679%0.78682%0.82SS**  trans12108.5156.3-76.7-26.8000118.8
445C23.1Very low21.3Very low134 Ų134145.5 Ų145.591%0.90581%0.811SS**  trans-129.765153-90.40000109.2
446T20.5Very low21.4Very low121 Ų121142.6 Ų142.674%0.74281%0.808SS**  trans-125.980.5163.253.30000109.5
447D21.2Very low21.5Very low144 Ų144146.4 Ų146.477%0.7781%0.813SS**  trans-160.989.1150.3-136.6-4.7000110.9
448W20.3Very low21.6Very low275 Ų275149.4 Ų149.4100%1.04282%0.815SS**  trans-11376.6160.5-112.3-23.6000107.9
449K19.7Very low21.5Very low175 Ų175149.3 Ų149.376%0.76181%0.81SS**  trans-96.2135.3164.2-152.3173-174.4178.30109I451K449-I451 PolarHBondContact O-N 3.45Å
450C18.3Very low21.6Very low124 Ų124153.4 Ų153.484%0.83881%0.81SS**  trans-46.5125.3-174.5-55.30000113.3
451I22Very low21.4Very low169 Ų169154.3 Ų154.387%0.86781%0.81SS**  trans-88.3114.8166-66175.5000107.4K449K449-I451 PolarHBondContact O-N 3.45Å
452E20.4Very low21.3Very low175 Ų175155.2 Ų155.282%0.81882%0.816SS**  trans-64.3151.1173.6-75.7174.1140.600112.2D454E452-D454 PolarHBondContact O-N 3.18Å
453N19.4Very low21.2Very low166 Ų166152.1 Ų152.189%0.88881%0.814SS**  trans-59.8117.2172.1-69.4-42.2000110.5
454D21.6Very low21Very low161 Ų161151.7 Ų151.786%0.86182%0.816SS**  trans-111.2104.9161.7-128.4-14000110.3E452E452-D454 PolarHBondContact O-N 3.18Å
455S18.7Very low21.3Very low99 Ų99150.6 Ų150.669%0.69282%0.816SS**  trans-70.6124.9164.549.60000109.8
456S21Very low21.1Very low106 Ų106154.9 Ų154.974%0.74181%0.814SS**  154.7149.1129.355.20000114
457K24.2Very low21.3Very low191 Ų191157.6 Ų157.683%0.8382%0.823SS**  trans104.194.8166.1-61178178.5175.60115.3
458E19.7Very low21.4Very low179 Ų179155.7 Ų155.784%0.83682%0.821SS**  82.6111.766.8-82.8-161.5166.700116
459T19.6Very low21.5Very low108 Ų108151.3 Ų151.366%0.66381%0.812SS**  91.3113.6125.8-48.20000120.8
460K24Very low21.7Very low181 Ų181148.6 Ų148.679%0.78782%0.815SS**  179.6114.1122.4-95.8170.1-176.3-177.60110.6
461Q21Very low21.9Very low174 Ų174154.6 Ų154.681%0.81382%0.82SS**  64.1134.4107-71.7178.8-9.700114.3
462S21.2Very low22.1Very low120 Ų120153.3 Ų153.384%0.83981%0.814SS**  cis179.4148.614.244.80000109.2
463G23.8Very low22.4Very low81 Ų81152.2 Ų152.284%0.83581%0.811SS**  trans157.4108.7163.300000117.1
464L20.8Very low22.5Very low156 Ų156149.2 Ų149.282%0.81780%0.803SS**  trans-79.6174.4172.6-117.490.1000112
465P26.9Very low22.7Very low123 Ų123147.6 Ų147.680%0.79980%0.8SS**  cis-142.9172.828.338.7-16.1000119.8
466R18.5Very low23Very low224 Ų224148.3 Ų148.385%0.84580%0.8SS**  trans-40.8141175.4-68.4170.4167.9179.7-4.9119.3
467L25Very low23.2Very low178 Ų178151 Ų15193%0.93281%0.806SS**  trans-137146.5134-82.2179.6000110.2
468S22.8Very low23.4Very low104 Ų104148 Ų14873%0.72780%0.804SS**  trans-83.8145.2-157.7-31.20000114.9
469E22.1Very low23.8Very low183 Ų183146.8 Ų146.886%0.85581%0.809SS**  trans38.3102.5143.6-69.4178.4156.400119.7
470S25.6Very low24.3Very low119 Ų119144.6 Ų144.683%0.83281%0.808SS**  trans-145.5125.4134.4-75.30000109.4I472S470-I472 PolarHBondContact O-N 2.95Å
471R21.8Very low24.8Very low249 Ų249147.9 Ų147.994%0.9482%0.815SS**  trans-75.196.6-166.3-159.5-177.6-67.3-171-1.1109.3
472I27.1Very low25.9Very low143 Ų143142.6 Ų142.673%0.73381%0.808SS**  trans-126.9122.3165.6-59.4178.9000107.3S470 S474S470-I472 PolarHBondContact O-N 2.95Å; I472-S474 VanDerWaalsContact C-N 3.3Å; I472-S474 PolarHBondContact O-N 3.46Å
473I25.2Very low27.5Very low151 Ų151141.4 Ų141.477%0.77481%0.805SS**  trans-65.591.8177.8-62.5167.2000107T475I473-T475 VanDerWaalsContact C-N 3.34Å; I473-T475 HydrophobicContact CG2-CG2 4.23Å; I473-T475 PolarHBondContact O-N 3.41Å
474S22.6Very low29.5Very low103 Ų103141.3 Ų141.372%0.7278%0.782SS**  trans-76.890.3163.5-59.50000107.1I472 T476I472-S474 VanDerWaalsContact C-N 3.3Å; I472-S474 PolarHBondContact O-N 3.46Å; S474-T476 VanDerWaalsContact C-N 3.35Å; S474-T476 PolarHBondContact O-N 2.78Å
475T25.7Very low32.3Very low128 Ų128137.9 Ų137.979%0.78576%0.764SS**  trans-62.5105.6158.836.90000107.5I473I473-T475 VanDerWaalsContact C-N 3.34Å; I473-T475 HydrophobicContact CG2-CG2 4.23Å; I473-T475 PolarHBondContact O-N 3.41Å
476T25.2Very low35.1Very low113 Ų113133.1 Ų133.169%0.69373%0.732SS**  trans-56.7141.5171.641.50000111.3S474 T478S474-T476 VanDerWaalsContact C-N 3.35Å; S474-T476 PolarHBondContact O-N 2.78Å; T476-T478 PolarHBondContact O-N 2.85Å
477N24.9Very low38.5Very low162 Ų162125.5 Ų125.587%0.86671%0.71SS**  trans1294.7148.7-60-11.1000115.6
478T27.4Very low41.7Very low129 Ų129118.2 Ų118.279%0.79167%0.671SS**  trans-114.5115.5153.932.70000108.3T476 G480T476-T478 PolarHBondContact O-N 2.85Å; T478-G480 PolarHBondContact O-N 2.84Å
479T29.2Very low45Very low154 Ų154116.8 Ų116.895%0.94566%0.658SS**  trans-52.474.1151.137.60000109R481T479-R481 PolarHBondContact O-N 3.48Å
480G29.6Very low48.5Very low62 Ų62108.2 Ų108.264%0.63962%0.618SS**  trans-84.4102.5-179.800000110.2T478 G482T478-G480 PolarHBondContact O-N 2.84Å; G480-G482 PolarHBondContact O-N 3.19Å
481R34.2Very low51.8Low249 Ų249104.8 Ų104.894%0.9460%0.597SS**  trans-51.197.5164.8-153.6179.9-155.2-121.25.5108.3T479 A483T479-R481 PolarHBondContact O-N 3.48Å; R481-A483 PolarHBondContact O-N 2.96Å
482G45.1Very low55.3Low63 Ų6393.3 Ų93.365%0.64955%0.554SS**  trans-70.791.9-17500000111.4G480 F484G480-G482 PolarHBondContact O-N 3.19Å; G482-F484 PolarHBondContact O-N 3.1Å
483A54.5Low58.4Low95 Ų9590.1 Ų90.179%0.78554%0.541SS*.  trans-66.2122.3164.800000108.2R481R481-A483 PolarHBondContact O-N 2.96Å
484F66.1Low61.5Low80 Ų8088.8 Ų88.835%0.35153%0.527SS..  trans-68.5134.9174.3-60.4-74.8000109.8G482 D486 L514 R591G482-F484 PolarHBondContact O-N 3.1Å; F484-D486 PolarHBondContact O-N 2.91Å; F484-L514 WeakPolarHBondContact O-CD1 3.03Å; F484-R591 VanDerWaalsContact CE1-CD 3.44Å
485D79.1Confident64.7Low84 Ų8485.3 Ų85.345%0.44950%0.504SS..SBendtrans-70.4-10.5-176.4-159.122.6000113.7V513 L514 S515D485-V513 CarbonylContact O-C 3.39Å; D485-L514 WeakPolarHBondContact O-CB 3.48Å; D485-L514 PolarHBondContact O-N 3.48Å; D485-S515 VanDerWaalsContact OD1-CB 3.24Å; D485-S515 WeakPolarHBondContact OD1-CB 3.29Å; D485-S515 PolarHBondContact OD1-N 3.22Å; D485-S515 PolarHBondContact OD1-OG 3.4Å; D485-S515 PolarHBondContact OD2-OG 3.46Å
486D85.9Confident67.5Low23 Ų2382.7 Ų82.712%0.12348%0.483CS..EExtended strand (participates in β ladder)trans-130.6139.8-178.1-53.9-27.4000113.4F484 Y488 R511 T512 V513 R591F484-D486 PolarHBondContact O-N 2.91Å; D486-Y488 HydrophobicContact CB-CE2 4.17Å; D486-R511 HydrophobicContact CB-CG 4.23Å; D486-R511 IonicContact OD1-NH2 3.53Å; D486-R511 IonicContact OD2-CZ 3.87Å; D486-R511 IonicContact OD2-NE 2.73Å; D486-R511 PolarHBondContact OD2-NE 2.85Å; D486-R511 IonicContact OD2-NH2 3.86Å; D486-R511 PolarHBondContact OD2-NH2 2.79Å; D486-T512 CarbonylContact C-O 3.53Å; D486-T512 WeakPolarHBondContact CA-O 3.32Å; D486-V513 WeakPolarHBondContact OD1-CA 3.29Å; D486-V513 WeakPolarHBondContact OD1-CG1 3.26Å; D486-V513 WeakPolarHBondContact OD1-CG2 3.01Å; D486-R591 PolarHBondContact O-NH2 3.11Å
487V89.3Confident70.3Confident64 Ų6481.8 Ų81.839%0.38847%0.473SS..EExtended strand (participates in β ladder)trans-109129.6173.5-178.40000110R511 T512 L514V487-R511 CarbonylContact O-C 3.59Å; V487-R511 WeakPolarHBondContact O-CA 3.4Å; V487-T512 PolarHBondContact N-O 2.96Å; V487-T512 PolarHBondContact O-N 2.66Å; V487-L514 HydrophobicContact CG2-CD1 4.11Å; V487-L514 HydrophobicContact CG2-CD2 3.92Å; V487-L514 HydrophobicContact CG2-CG 4.08Å
488Y92.2Very high72.8Confident24 Ų2476.4 Ų76.49%0.09444%0.443CS..EExtended strand (participates in β ladder)trans-103.8136.7175.5-71.5-102.5000109.8D486 V509 T510 R511 W522 C579 I595 L598D486-Y488 HydrophobicContact CB-CE2 4.17Å; Y488-V509 HydrophobicContact CD1-CG1 4.07Å; Y488-T510 CarbonylContact C-O 3.6Å; Y488-T510 WeakPolarHBondContact CA-O 3.48Å; Y488-R511 HydrophobicContact CD1-CB 4.17Å; Y488-R511 HydrophobicContact CE1-CB 3.95Å; Y488-R511 HydrophobicContact CE1-CG 4.02Å; Y488-R511 HydrophobicContact CE2-CG 4.22Å; Y488-R511 WeakPolarHBondContact OH-CD 3.32Å; Y488-W522 HydrophobicContact CD1-CH2 4.43Å; Y488-W522 AromaticContact CE1-CH2 3.86Å; Y488-W522 HydrophobicContact CE1-CH2 3.86Å; Y488-W522 HydrophobicContact CE1-CZ2 4.16Å; Y488-C579 WeakPolarHBondContact O-CB 3.5Å; Y488-I595 HydrophobicContact CE2-CD1 4.14Å; Y488-I595 HydrophobicContact CE2-CG1 4.02Å; Y488-L598 HydrophobicContact CD1-CD1 4.38Å
489T92.4Very high74.6Confident74 Ų7479.4 Ų79.445%0.45445%0.448SS..EExtended strand (participates in β ladder)trans-124140167.458.60000108.6V509 T510T489-V509 CarbonylContact O-C 3.52Å; T489-V509 WeakPolarHBondContact O-CA 3.4Å; T489-T510 PolarHBondContact N-O 3.4Å; T489-T510 PolarHBondContact O-N 3.45Å; T489-T510 WeakPolarHBondContact OG1-CB 3.36Å; T489-T510 PolarHBondContact OG1-O 3.48Å
490A95.4Very high76.3Confident3 Ų378.2 Ų78.23%0.02544%0.436CS..EExtended strand (participates in β ladder)trans-137.8128-176.200000110.3I507 K508 L575 L598A490-I507 HydrophobicContact CB-CG2 3.95Å; A490-K508 WeakPolarHBondContact CA-O 3.45Å; A490-L575 HydrophobicContact CB-CB 4.38Å; A490-L575 HydrophobicContact CB-CD1 4.29Å; A490-L598 HydrophobicContact CB-CD1 4.27Å; A490-L598 HydrophobicContact CB-CD2 3.62Å
491A95Very high78.4Confident47 Ų4779.9 Ų79.939%0.38844%0.438SS..EExtended strand (participates in β ladder)trans-138.3132.4177.700000110.8T493 K508A491-T493 PolarHBondContact O-N 3.04Å; A491-K508 PolarHBondContact N-O 3.47Å; A491-K508 PolarHBondContact O-N 3.08Å
492I95.8Very high80.5Confident9 Ų971.7 Ų71.75%0.04641%0.407CS..EExtended strand (participates in β ladder)trans-74.8115.7173.5-60.3163.4000108.6R494 Y505 T506 I507 F531 R568 L571 N572 L575I492-R494 WeakPolarHBondContact CG2-O 3.45Å; I492-Y505 HydrophobicContact CD1-CD1 4.46Å; I492-Y505 HydrophobicContact CG2-CD1 3.98Å; I492-Y505 HydrophobicContact CG2-CG 4.44Å; I492-T506 WeakPolarHBondContact CA-O 3.33Å; I492-I507 HydrophobicContact CG1-CG1 4.04Å; I492-F531 HydrophobicContact CD1-CZ 4.13Å; I492-R568 HydrophobicContact CB-CG 4.15Å; I492-R568 HydrophobicContact CG2-CG 3.71Å; I492-L571 HydrophobicContact CD1-CB 3.34Å; I492-L571 HydrophobicContact CD1-CD1 4.17Å; I492-L571 HydrophobicContact CD1-CG 4.41Å; I492-N572 WeakPolarHBondContact CB-OD1 3.17Å; I492-N572 PolarHBondContact N-OD1 3.44Å; I492-N572 PolarHBondContact O-ND2 3.22Å; I492-L575 HydrophobicContact CD1-CD1 4.14Å; I492-L575 HydrophobicContact CG1-CD1 3.88Å
493T91.4Very high82.3Confident75 Ų7569.4 Ų69.446%0.4638%0.381SS..EExtended strand (participates in β ladder)trans-87.4-39.9-178.552.60000111.9A491 T506 K508A491-T493 PolarHBondContact O-N 3.04Å; T493-T506 PolarHBondContact N-O 3.27Å; T493-T506 PolarHBondContact OG1-O 2.97Å; T493-K508 HydrophobicContact CG2-CB 3.65Å; T493-K508 HydrophobicContact CG2-CD 4.4Å
494R90.1Very high83.9Confident123 Ų12366.1 Ų66.146%0.46435%0.35SS..EExtended strand (participates in β ladder)trans-146.8157-177.257.8-178.8180173-12.2111.9I492 E496 T506I492-R494 WeakPolarHBondContact CG2-O 3.45Å; R494-E496 VanDerWaalsContact CD-OE1 3.23Å; R494-E496 WeakPolarHBondContact CD-OE1 3.31Å; R494-E496 IonicContact CZ-OE1 2.82Å; R494-E496 VanDerWaalsContact CZ-OE1 3.31Å; R494-E496 IonicContact NE-OE1 3.91Å; R494-E496 PolarHBondContact NE-OE1 2.82Å; R494-E496 IonicContact NH1-OE1 2.85Å; R494-E496 PolarHBondContact NH1-OE1 2.91Å; R494-T506 HydrophobicContact CG-CG2 4.4Å; R494-T506 WeakPolarHBondContact CG-OG1 3.36Å; R494-T506 PolarHBondContact NE-OG1 3.39Å; R494-T506 PolarHBondContact O-N 2.6Å
495A89.4Confident85.2Confident31 Ų3162.3 Ų62.326%0.25633%0.333SS..EExtended strand (participates in β ladder)trans-129.6125172.800000107.6V503 I504 Y505A495-V503 HydrophobicContact CB-CG1 4.22Å; A495-I504 WeakPolarHBondContact CA-O 3.41Å; A495-Y505 HydrophobicContact CB-CD1 3.72Å; A495-Y505 HydrophobicContact CB-CE1 3.8Å
496E85Confident86Confident73 Ų7358.4 Ų58.434%0.34131%0.312SS..EExtended strand (participates in β ladder)trans-123136.9-174.4-67174.6177.200109.4R494 M498 V503 I504R494-E496 VanDerWaalsContact CD-OE1 3.23Å; R494-E496 WeakPolarHBondContact CD-OE1 3.31Å; R494-E496 IonicContact CZ-OE1 2.82Å; R494-E496 VanDerWaalsContact CZ-OE1 3.31Å; R494-E496 IonicContact NE-OE1 3.91Å; R494-E496 PolarHBondContact NE-OE1 2.82Å; R494-E496 IonicContact NH1-OE1 2.85Å; R494-E496 PolarHBondContact NH1-OE1 2.91Å; E496-M498 HydrophobicContact CB-CE 3.52Å; E496-V503 WeakPolarHBondContact O-CA 3.49Å; E496-I504 PolarHBondContact N-O 3.48Å; E496-I504 PolarHBondContact O-N 2.91Å
497I83.7Confident86.5Confident93 Ų9357.3 Ų57.348%0.47731%0.306SS..EExtended strand (participates in β ladder)trans-86.2122.4172.5-63.6166.8000107.3V503 M559 L564I497-V503 HydrophobicContact CG1-CG2 4.11Å; I497-M559 HydrophobicContact CB-CE 4.21Å; I497-M559 HydrophobicContact CD1-CE 4.12Å; I497-M559 HydrophobicContact CG1-CE 3.85Å; I497-M559 HydrophobicContact CG2-CE 3.4Å; I497-L564 HydrophobicContact CD1-CD1 3.99Å; I497-L564 HydrophobicContact CG1-CD1 4Å
498M78.6Confident86.8Confident50 Ų5059 Ų5925%0.24631%0.308CS..  trans-85161176.6-62.9-65.4104.700111.2E496 D500 S501 Y502 I504E496-M498 HydrophobicContact CB-CE 3.52Å; M498-D500 PolarHBondContact O-N 2.92Å; M498-S501 PolarHBondContact O-N 3.43Å; M498-Y502 HydrophobicContact CB-CD1 4.11Å; M498-Y502 HydrophobicContact CB-CD2 4.38Å; M498-Y502 HydrophobicContact CB-CE1 3.77Å; M498-Y502 HydrophobicContact CB-CE2 4.1Å; M498-Y502 HydrophobicContact CB-CG 4.39Å; M498-Y502 HydrophobicContact CG-CD2 4.19Å; M498-Y502 HydrophobicContact CG-CE1 4.24Å; M498-Y502 HydrophobicContact CG-CE2 3.7Å; M498-Y502 PolarHBondContact N-O 3.16Å; M498-I504 HydrophobicContact CE-CD1 4.47Å; M498-I504 HydrophobicContact CG-CB 4.47Å; M498-I504 HydrophobicContact CG-CD1 3.54Å; M498-I504 HydrophobicContact CG-CG1 3.68Å; M498-I504 HydrophobicContact SD-CD1 3.7Å; M498-I504 HydrophobicContact SD-CG1 4.33Å
499H64.6Low87Confident191 Ų19157.8 Ų57.888%0.88430%0.304SS*.THydrogen-bonded Turntrans-54.9-36.7179.1-72.3-72.2000113S501H499-S501 PolarHBondContact O-N 3.22Å
500D64.6Low87Confident129 Ų12955.9 Ų55.969%0.6929%0.292SS*.THydrogen-bonded Turntrans-81.227.4177.6-41.2-41.7000113.4M498 Y502M498-D500 PolarHBondContact O-N 2.92Å; D500-Y502 VanDerWaalsContact C-N 3.3Å; D500-Y502 HydrophobicContact CB-CD1 3.84Å; D500-Y502 HydrophobicContact CB-CE1 3.78Å; D500-Y502 PolarHBondContact O-N 2.8Å
501S73.4Confident86.9Confident97 Ų9759 Ų5968%0.67830%0.303SS*.SBendtrans60.429.6172.6-58.20000115.6M498 H499M498-S501 PolarHBondContact O-N 3.43Å; H499-S501 PolarHBondContact O-N 3.22Å
502Y78.5Confident86.6Confident78 Ų7859 Ų5931%0.30630%0.298SS..  trans-120160.4171.469.7-86.8000112.3M498 D500 I504M498-Y502 HydrophobicContact CB-CD1 4.11Å; M498-Y502 HydrophobicContact CB-CD2 4.38Å; M498-Y502 HydrophobicContact CB-CE1 3.77Å; M498-Y502 HydrophobicContact CB-CE2 4.1Å; M498-Y502 HydrophobicContact CB-CG 4.39Å; M498-Y502 HydrophobicContact CG-CD2 4.19Å; M498-Y502 HydrophobicContact CG-CE1 4.24Å; M498-Y502 HydrophobicContact CG-CE2 3.7Å; M498-Y502 PolarHBondContact N-O 3.16Å; D500-Y502 VanDerWaalsContact C-N 3.3Å; D500-Y502 HydrophobicContact CB-CD1 3.84Å; D500-Y502 HydrophobicContact CB-CE1 3.78Å; D500-Y502 PolarHBondContact O-N 2.8Å; Y502-I504 HydrophobicContact CD2-CG1 3.92Å; Y502-I504 HydrophobicContact CE2-CD1 3.63Å; Y502-I504 HydrophobicContact CE2-CG1 3.44Å; Y502-I504 VanDerWaalsContact CE2-CG1 3.44Å
503V82.3Confident86.3Confident15 Ų1559.5 Ų59.59%0.09130%0.302CS..EExtended strand (participates in β ladder)trans-106.6126.1-176.7-177.60000111.1A495 E496 I497 Y505 M559 L564A495-V503 HydrophobicContact CB-CG1 4.22Å; E496-V503 WeakPolarHBondContact O-CA 3.49Å; I497-V503 HydrophobicContact CG1-CG2 4.11Å; V503-Y505 HydrophobicContact CG1-CE1 4.22Å; V503-Y505 HydrophobicContact CG1-CE2 4.17Å; V503-M559 HydrophobicContact CG2-CE 4.04Å; V503-M559 HydrophobicContact CG2-SD 3.85Å; V503-L564 HydrophobicContact CB-CD2 4.48Å; V503-L564 HydrophobicContact CG1-CD2 4.23Å; V503-L564 HydrophobicContact CG2-CD1 4.12Å; V503-L564 HydrophobicContact CG2-CD2 3.81Å
504I89.9Confident85.8Confident25 Ų2560.9 Ų60.913%0.12831%0.306CS..EExtended strand (participates in β ladder)trans-102.8135.5171.2-62.4-176.1000109.4A495 E496 M498 Y502 L525A495-I504 WeakPolarHBondContact CA-O 3.41Å; E496-I504 PolarHBondContact N-O 3.48Å; E496-I504 PolarHBondContact O-N 2.91Å; M498-I504 HydrophobicContact CE-CD1 4.47Å; M498-I504 HydrophobicContact CG-CB 4.47Å; M498-I504 HydrophobicContact CG-CD1 3.54Å; M498-I504 HydrophobicContact CG-CG1 3.68Å; M498-I504 HydrophobicContact SD-CD1 3.7Å; M498-I504 HydrophobicContact SD-CG1 4.33Å; Y502-I504 HydrophobicContact CD2-CG1 3.92Å; Y502-I504 HydrophobicContact CE2-CD1 3.63Å; Y502-I504 HydrophobicContact CE2-CG1 3.44Å; Y502-I504 VanDerWaalsContact CE2-CG1 3.44Å; I504-L525 HydrophobicContact CG2-CB 3.92Å; I504-L525 HydrophobicContact CG2-CD2 4.03Å; I504-L525 HydrophobicContact CG2-CG 4.43Å
505Y93.5Very high85.3Confident0 Ų058.8 Ų58.80%031%0.31CS..EExtended strand (participates in β ladder)trans-103.2125.5171.4-56.9-84.1000109.1I492 A495 V503 R526 F528 F531 R567 R568 L571I492-Y505 HydrophobicContact CD1-CD1 4.46Å; I492-Y505 HydrophobicContact CG2-CD1 3.98Å; I492-Y505 HydrophobicContact CG2-CG 4.44Å; A495-Y505 HydrophobicContact CB-CD1 3.72Å; A495-Y505 HydrophobicContact CB-CE1 3.8Å; V503-Y505 HydrophobicContact CG1-CE1 4.22Å; V503-Y505 HydrophobicContact CG1-CE2 4.17Å; Y505-R526 WeakPolarHBondContact CB-O 3.31Å; Y505-R526 WeakPolarHBondContact CD2-O 3.29Å; Y505-R526 PolarHBondContact N-O 3.12Å; Y505-R526 PolarHBondContact O-N 3.44Å; Y505-F528 HydrophobicContact CE2-CB 4.07Å; Y505-F531 HydrophobicContact CD2-CE2 4.13Å; Y505-R567 WeakPolarHBondContact OH-CD 3.49Å; Y505-R568 HydrophobicContact CE1-CB 4.48Å; Y505-L571 HydrophobicContact CD1-CD1 4.22Å; Y505-L571 HydrophobicContact CD2-CD1 4.05Å; Y505-L571 HydrophobicContact CE1-CD1 3.92Å; Y505-L571 HydrophobicContact CE2-CD1 3.78Å; Y505-L571 HydrophobicContact CG-CD1 4.28Å
506T94.4Very high84.9Confident2 Ų260.5 Ų60.51%0.01232%0.318CS..EExtended strand (participates in β ladder)trans-85.2118.4167.3-54.10000108.7I492 T493 R494 N523 L525I492-T506 WeakPolarHBondContact CA-O 3.33Å; T493-T506 PolarHBondContact N-O 3.27Å; T493-T506 PolarHBondContact OG1-O 2.97Å; R494-T506 HydrophobicContact CG-CG2 4.4Å; R494-T506 WeakPolarHBondContact CG-OG1 3.36Å; R494-T506 PolarHBondContact NE-OG1 3.39Å; R494-T506 PolarHBondContact O-N 2.6Å; T506-N523 HydrophobicContact CG2-CB 3.96Å; T506-L525 HydrophobicContact CG2-CD2 4.21Å
507I96.4Very high84.5Confident0 Ų061.9 Ų61.90%034%0.335CS..EExtended strand (participates in β ladder)trans-102.3119.3177.5-51.7171.7000107.8A490 I492 V509 N523 T524 R526 F531 L575 F597 L598A490-I507 HydrophobicContact CB-CG2 3.95Å; I492-I507 HydrophobicContact CG1-CG1 4.04Å; I507-V509 HydrophobicContact CG2-CG2 3.99Å; I507-N523 CarbonylContact O-C 3.52Å; I507-N523 WeakPolarHBondContact O-CA 3.45Å; I507-T524 HydrophobicContact CB-CG2 3.86Å; I507-T524 HydrophobicContact CD1-CG2 4.3Å; I507-T524 HydrophobicContact CG2-CG2 4.5Å; I507-T524 PolarHBondContact N-O 2.9Å; I507-T524 PolarHBondContact O-N 3.2Å; I507-R526 HydrophobicContact CD1-CB 3.93Å; I507-R526 HydrophobicContact CD1-CG 3.67Å; I507-F531 HydrophobicContact CD1-CE1 4.45Å; I507-F531 HydrophobicContact CD1-CZ 3.78Å; I507-F531 HydrophobicContact CG1-CZ 4.5Å; I507-L575 HydrophobicContact CD1-CD1 4.26Å; I507-L575 HydrophobicContact CG1-CD1 4.41Å; I507-L575 HydrophobicContact CG2-CD1 3.97Å; I507-F597 HydrophobicContact CD1-CE1 3.82Å; I507-F597 HydrophobicContact CD1-CZ 4.36Å; I507-L598 HydrophobicContact CG2-CD2 4.35Å
508K96.3Very high84.5Confident99 Ų9963.5 Ų63.543%0.4334%0.341SS..EExtended strand (participates in β ladder)trans-83.7120.6167.8-178177.1-179.71790108.5A490 A491 T493A490-K508 WeakPolarHBondContact CA-O 3.45Å; A491-K508 PolarHBondContact N-O 3.47Å; A491-K508 PolarHBondContact O-N 3.08Å; T493-K508 HydrophobicContact CG2-CB 3.65Å; T493-K508 HydrophobicContact CG2-CD 4.4Å
509V95.6Very high84.8Confident0 Ų065.1 Ų65.10%036%0.357CS..EExtended strand (participates in β ladder)trans-110.4134.8180-174.50000108.5Y488 T489 I507 S521 W522 T524 L598Y488-V509 HydrophobicContact CD1-CG1 4.07Å; T489-V509 CarbonylContact O-C 3.52Å; T489-V509 WeakPolarHBondContact O-CA 3.4Å; I507-V509 HydrophobicContact CG2-CG2 3.99Å; V509-S521 CarbonylContact O-C 3.52Å; V509-S521 WeakPolarHBondContact O-CA 3.31Å; V509-S521 WeakPolarHBondContact O-CB 3.5Å; V509-W522 HydrophobicContact CB-CD2 4.23Å; V509-W522 HydrophobicContact CB-CZ2 4.04Å; V509-W522 HydrophobicContact CG1-CH2 4.1Å; V509-W522 HydrophobicContact CG1-CZ2 3.51Å; V509-W522 PolarHBondContact N-O 2.78Å; V509-W522 PolarHBondContact O-N 2.75Å; V509-T524 HydrophobicContact CG2-CG2 4.1Å; V509-L598 HydrophobicContact CG1-CB 4.14Å; V509-L598 HydrophobicContact CG1-CD1 4.35Å; V509-L598 HydrophobicContact CG2-CB 4.1Å; V509-L598 HydrophobicContact CG2-CD2 3.91Å
510T93.5Very high86.1Confident34 Ų3460.8 Ų60.821%0.20934%0.337CS..EExtended strand (participates in β ladder)trans-126.4119.3172.4-53.20000109.3Y488 T489 E520Y488-T510 CarbonylContact C-O 3.6Å; Y488-T510 WeakPolarHBondContact CA-O 3.48Å; T489-T510 PolarHBondContact N-O 3.4Å; T489-T510 PolarHBondContact O-N 3.45Å; T489-T510 WeakPolarHBondContact OG1-CB 3.36Å; T489-T510 PolarHBondContact OG1-O 3.48Å; T510-E520 CarbonylContact C-O 3.55Å; T510-E520 VanDerWaalsContact CA-O 3.32Å; T510-E520 WeakPolarHBondContact CA-O 3.32Å
511R92.8Very high87.4Confident67 Ų6758.2 Ų58.225%0.25333%0.329SS..EExtended strand (participates in β ladder)trans-99.7122.2174.1176.3-172.7175.4-142.31.7108.2D486 V487 Y488 S519 E520 W522D486-R511 HydrophobicContact CB-CG 4.23Å; D486-R511 IonicContact OD1-NH2 3.53Å; D486-R511 IonicContact OD2-CZ 3.87Å; D486-R511 IonicContact OD2-NE 2.73Å; D486-R511 PolarHBondContact OD2-NE 2.85Å; D486-R511 IonicContact OD2-NH2 3.86Å; D486-R511 PolarHBondContact OD2-NH2 2.79Å; V487-R511 CarbonylContact O-C 3.59Å; V487-R511 WeakPolarHBondContact O-CA 3.4Å; Y488-R511 HydrophobicContact CD1-CB 4.17Å; Y488-R511 HydrophobicContact CE1-CB 3.95Å; Y488-R511 HydrophobicContact CE1-CG 4.02Å; Y488-R511 HydrophobicContact CE2-CG 4.22Å; Y488-R511 WeakPolarHBondContact OH-CD 3.32Å; R511-S519 CarbonylContact O-C 3.56Å; R511-S519 VanDerWaalsContact O-CA 3.25Å; R511-S519 WeakPolarHBondContact O-CA 3.31Å; R511-E520 PolarHBondContact N-O 2.86Å; R511-E520 IonicContact NH1-OE2 3.82Å; R511-E520 PolarHBondContact NH1-OE2 2.75Å; R511-E520 PolarHBondContact O-N 3.1Å; R511-W522 HydrophobicContact CB-CH2 3.76Å; R511-W522 HydrophobicContact CB-CZ3 3.82Å
512T89.8Confident88.4Confident47 Ų4756.2 Ų56.229%0.28831%0.307SS..EExtended strand (participates in β ladder)trans-113.4117.7175.7-52.50000108.9D486 V487 Q518D486-T512 CarbonylContact C-O 3.53Å; D486-T512 WeakPolarHBondContact CA-O 3.32Å; V487-T512 PolarHBondContact N-O 2.96Å; V487-T512 PolarHBondContact O-N 2.66Å; T512-Q518 WeakPolarHBondContact CA-O 3.47Å
513V88.2Confident89Confident20 Ų2057 Ų5712%0.12132%0.316CS..EExtended strand (participates in β ladder)trans-79.3120173.9-1760000108.1D485 D486 S515 T516 S517 Q518D485-V513 CarbonylContact O-C 3.39Å; D486-V513 WeakPolarHBondContact OD1-CA 3.29Å; D486-V513 WeakPolarHBondContact OD1-CG1 3.26Å; D486-V513 WeakPolarHBondContact OD1-CG2 3.01Å; V513-S515 VanDerWaalsContact CG1-OG 3.27Å; V513-S515 WeakPolarHBondContact CG1-OG 2.97Å; V513-T516 WeakPolarHBondContact CB-OG1 3.37Å; V513-T516 WeakPolarHBondContact CG1-OG1 3.41Å; V513-S517 VanDerWaalsContact O-CA 3.23Å; V513-S517 WeakPolarHBondContact O-CA 3.45Å; V513-S517 PolarHBondContact O-N 3.17Å; V513-Q518 PolarHBondContact N-O 2.98Å
514L80.7Confident89.5Confident105 Ų10556.4 Ų56.455%0.5531%0.313SS..THydrogen-bonded Turntrans-68.1-34.3-176.9-67.3174.1000112F484 D485 V487F484-L514 WeakPolarHBondContact O-CD1 3.03Å; D485-L514 WeakPolarHBondContact O-CB 3.48Å; D485-L514 PolarHBondContact O-N 3.48Å; V487-L514 HydrophobicContact CG2-CD1 4.11Å; V487-L514 HydrophobicContact CG2-CD2 3.92Å; V487-L514 HydrophobicContact CG2-CG 4.08Å
515S80.4Confident89.6Confident78 Ų7859.3 Ų59.355%0.54533%0.328SS..THydrogen-bonded Turntrans-70.3-36.8179.955.80000114.2D485 V513D485-S515 VanDerWaalsContact OD1-CB 3.24Å; D485-S515 WeakPolarHBondContact OD1-CB 3.29Å; D485-S515 PolarHBondContact OD1-N 3.22Å; D485-S515 PolarHBondContact OD1-OG 3.4Å; D485-S515 PolarHBondContact OD2-OG 3.46Å; V513-S515 VanDerWaalsContact CG1-OG 3.27Å; V513-S515 WeakPolarHBondContact CG1-OG 2.97Å
516T81.2Confident89.6Confident68 Ų6859.5 Ų59.542%0.41733%0.329SS..THydrogen-bonded Turntrans-109.5-6.1-175.960.50000113.9V513 Q518V513-T516 WeakPolarHBondContact CB-OG1 3.37Å; V513-T516 WeakPolarHBondContact CG1-OG1 3.41Å; T516-Q518 PolarHBondContact O-N 3.09Å; T516-Q518 PolarHBondContact OG1-N 3.49Å
517S77.2Confident89.4Confident102 Ų10264 Ų6471%0.71335%0.345SS*.  trans53.216.8-169.563.20000114.4V513V513-S517 VanDerWaalsContact O-CA 3.23Å; V513-S517 WeakPolarHBondContact O-CA 3.45Å; V513-S517 PolarHBondContact O-N 3.17Å
518Q82.2Confident89Confident127 Ų12765.2 Ų65.259%0.59335%0.351SS*.  trans-79.6132.6177.3-68-175.613.200109.9T512 V513 T516T512-Q518 WeakPolarHBondContact CA-O 3.47Å; V513-Q518 PolarHBondContact N-O 2.98Å; T516-Q518 PolarHBondContact O-N 3.09Å; T516-Q518 PolarHBondContact OG1-N 3.49Å
519S85.7Confident88.4Confident83 Ų8363.8 Ų63.858%0.5834%0.343SS*.EExtended strand (participates in β ladder)trans-113.6123177.365.20000111.3R511R511-S519 CarbonylContact O-C 3.56Å; R511-S519 VanDerWaalsContact O-CA 3.25Å; R511-S519 WeakPolarHBondContact O-CA 3.31Å
520E91.2Very high88.1Confident101 Ų10164.1 Ų64.147%0.47234%0.344SS..EExtended strand (participates in β ladder)trans-104.6137.9171-67.1177.4156.700109T510 R511 W522T510-E520 CarbonylContact C-O 3.55Å; T510-E520 VanDerWaalsContact CA-O 3.32Å; T510-E520 WeakPolarHBondContact CA-O 3.32Å; R511-E520 PolarHBondContact N-O 2.86Å; R511-E520 IonicContact NH1-OE2 3.82Å; R511-E520 PolarHBondContact NH1-OE2 2.75Å; R511-E520 PolarHBondContact O-N 3.1Å; E520-W522 HydrophobicContact CB-CE3 4.49Å; E520-W522 HydrophobicContact CB-CZ3 4.16Å
521S91.9Very high88.1Confident75 Ų7562.5 Ų62.552%0.52433%0.334SS..EExtended strand (participates in β ladder)trans-133.6139.9176.377.40000112.3V509V509-S521 CarbonylContact O-C 3.52Å; V509-S521 WeakPolarHBondContact O-CA 3.31Å; V509-S521 WeakPolarHBondContact O-CB 3.5Å
522W94.9Very high87.7Confident54 Ų5462.2 Ų62.221%0.20534%0.34CS..EExtended strand (participates in β ladder)trans-144.5169.317861.489.7000110.5Y488 V509 R511 E520 L598 P600Y488-W522 HydrophobicContact CD1-CH2 4.43Å; Y488-W522 AromaticContact CE1-CH2 3.86Å; Y488-W522 HydrophobicContact CE1-CH2 3.86Å; Y488-W522 HydrophobicContact CE1-CZ2 4.16Å; V509-W522 HydrophobicContact CB-CD2 4.23Å; V509-W522 HydrophobicContact CB-CZ2 4.04Å; V509-W522 HydrophobicContact CG1-CH2 4.1Å; V509-W522 HydrophobicContact CG1-CZ2 3.51Å; V509-W522 PolarHBondContact N-O 2.78Å; V509-W522 PolarHBondContact O-N 2.75Å; R511-W522 HydrophobicContact CB-CH2 3.76Å; R511-W522 HydrophobicContact CB-CZ3 3.82Å; E520-W522 HydrophobicContact CB-CE3 4.49Å; E520-W522 HydrophobicContact CB-CZ3 4.16Å; W522-L598 PolarHBondContact NE1-O 3.03Å; W522-P600 HydrophobicContact CG-CG 4.08Å
523N92Very high87.5Confident94 Ų9460.3 Ų60.350%0.50333%0.328SS..EExtended strand (participates in β ladder)trans-108.2142.6172.1-66.7-44.6000109.8T506 I507T506-N523 HydrophobicContact CG2-CB 3.96Å; I507-N523 CarbonylContact O-C 3.52Å; I507-N523 WeakPolarHBondContact O-CA 3.45Å
524T93Very high87.7Confident3 Ų359.4 Ų59.42%0.01832%0.322CS..EExtended strand (participates in β ladder)trans-131.1148.1171.6-167.60000110.2I507 V509 R526 L598 Q599I507-T524 HydrophobicContact CB-CG2 3.86Å; I507-T524 HydrophobicContact CD1-CG2 4.3Å; I507-T524 HydrophobicContact CG2-CG2 4.5Å; I507-T524 PolarHBondContact N-O 2.9Å; I507-T524 PolarHBondContact O-N 3.2Å; V509-T524 HydrophobicContact CG2-CG2 4.1Å; T524-R526 VanDerWaalsContact OG1-CZ 3.24Å; T524-R526 PolarHBondContact OG1-NH1 3.35Å; T524-R526 PolarHBondContact OG1-NH2 3.37Å; T524-L598 WeakPolarHBondContact CG2-O 3.29Å; T524-Q599 PolarHBondContact OG1-O 3.11Å; T524-Q599 VanDerWaalsContact OG1-O 3.13Å
525L91.9Very high88.1Confident87 Ų8756.4 Ų56.446%0.45531%0.305SS..EExtended strand (participates in β ladder)trans-105.2125.4-175.3-60.3180000110.4I504 T506I504-L525 HydrophobicContact CG2-CB 3.92Å; I504-L525 HydrophobicContact CG2-CD2 4.03Å; I504-L525 HydrophobicContact CG2-CG 4.43Å; T506-L525 HydrophobicContact CG2-CD2 4.21Å
526R92.7Very high88.1Confident4 Ų453.8 Ų53.82%0.01529%0.287CS..EExtended strand (participates in β ladder)trans-139139179.2-62.4-66.5177.5-100.32.7111.1Y505 I507 T524 H530 F531 F597 Q599Y505-R526 WeakPolarHBondContact CB-O 3.31Å; Y505-R526 WeakPolarHBondContact CD2-O 3.29Å; Y505-R526 PolarHBondContact N-O 3.12Å; Y505-R526 PolarHBondContact O-N 3.44Å; I507-R526 HydrophobicContact CD1-CB 3.93Å; I507-R526 HydrophobicContact CD1-CG 3.67Å; T524-R526 VanDerWaalsContact OG1-CZ 3.24Å; T524-R526 PolarHBondContact OG1-NH1 3.35Å; T524-R526 PolarHBondContact OG1-NH2 3.37Å; R526-H530 HydrophobicContact CB-CB 4.43Å; R526-F531 HydrophobicContact CB-CE2 3.97Å; R526-F597 HydrophobicContact CB-CZ 4.02Å; R526-F597 HydrophobicContact CG-CE1 4.05Å; R526-F597 HydrophobicContact CG-CE2 4.04Å; R526-F597 HydrophobicContact CG-CZ 3.67Å; R526-F597 VanDerWaalsContact CZ-O 3.23Å; R526-F597 PolarHBondContact NE-O 2.74Å; R526-F597 PolarHBondContact NH2-O 3.02Å; R526-Q599 PolarHBondContact NH2-O 3.33Å
527R89.8Confident88.2Confident95 Ų9552.5 Ų52.536%0.35828%0.276SS..EExtended strand (participates in β ladder)trans-90.6160.8168.757.9-173.4-87.5178.7-1.4110.7R529 H530 F531R527-R529 HydrophobicContact CG-CB 4.12Å; R527-R529 PolarHBondContact O-N 3.5Å; R527-R529 VanDerWaalsContact O-N 3.1Å; R527-H530 PolarHBondContact N-ND1 3.04Å; R527-H530 WeakPolarHBondContact O-CB 3.47Å; R527-H530 PolarHBondContact O-N 3.49Å; R527-F531 WeakPolarHBondContact O-CD2 3.35Å
528F88.2Confident88.6Confident27 Ų2747.7 Ų47.712%0.11824%0.242CC..Hα-helixtrans-52.3-37.3178.3179.8-109.1000112.9Y505 H530 F531 V532 P551 K553 R567 L571Y505-F528 HydrophobicContact CE2-CB 4.07Å; F528-H530 VanDerWaalsContact C-N 3.26Å; F528-H530 PolarHBondContact O-N 2.86Å; F528-F531 WeakPolarHBondContact O-CB 3.37Å; F528-F531 PolarHBondContact O-N 3.45Å; F528-V532 HydrophobicContact CD1-CG2 4.13Å; F528-V532 HydrophobicContact CE1-CG2 3.73Å; F528-V532 HydrophobicContact CZ-CG2 4.03Å; F528-V532 PolarHBondContact O-N 2.73Å; F528-P551 HydrophobicContact CE2-CB 4.46Å; F528-P551 VanDerWaalsContact CZ-O 3.32Å; F528-P551 WeakPolarHBondContact CZ-O 3.36Å; F528-K553 HydrophobicContact CE1-CB 4.26Å; F528-R567 HydrophobicContact CD2-CG 4.3Å; F528-R567 HydrophobicContact CE2-CG 4.46Å; F528-L571 HydrophobicContact CD2-CD1 4.27Å; F528-L571 HydrophobicContact CD2-CD2 4.16Å; F528-L571 HydrophobicContact CE2-CD2 4.24Å
529R83.6Confident88.5Confident69 Ų6944 Ų4426%0.2623%0.228SC..Hα-helixtrans-56.9-36.4176.4-165.5178.971.779.222.7113R527 F531 V532 E533 R611R527-R529 HydrophobicContact CG-CB 4.12Å; R527-R529 PolarHBondContact O-N 3.5Å; R527-R529 VanDerWaalsContact O-N 3.1Å; R529-F531 VanDerWaalsContact C-N 3.3Å; R529-F531 PolarHBondContact O-N 2.93Å; R529-V532 WeakPolarHBondContact O-CB 3.4Å; R529-V532 PolarHBondContact O-N 2.85Å; R529-E533 IonicContact CZ-OE1 3.56Å; R529-E533 IonicContact NE-OE1 3.06Å; R529-E533 IonicContact NH1-OE1 3.31Å; R529-E533 PolarHBondContact NH1-OE1 3.3Å; R529-E533 IonicContact NH2-OE1 3.43Å; R529-E533 PolarHBondContact NH2-OE1 3.04Å; R529-E533 WeakPolarHBondContact O-CG 3.33Å; R529-E533 PolarHBondContact O-N 3.45Å; R529-R611 VanDerWaalsContact NH1-CG 3.31Å
530H90.2Very high87.9Confident6 Ų644.7 Ų44.73%0.02823%0.225CC..Hα-helixtrans-67-33.2177.9-58.3164.5000111.6R526 R527 F528 E533 L534 F597 W603R526-H530 HydrophobicContact CB-CB 4.43Å; R527-H530 PolarHBondContact N-ND1 3.04Å; R527-H530 WeakPolarHBondContact O-CB 3.47Å; R527-H530 PolarHBondContact O-N 3.49Å; F528-H530 VanDerWaalsContact C-N 3.26Å; F528-H530 PolarHBondContact O-N 2.86Å; H530-E533 IonicContact CD2-OE2 3.03Å; H530-E533 PolarHBondContact O-N 2.74Å; H530-L534 WeakPolarHBondContact O-CB 3.43Å; H530-L534 PolarHBondContact O-N 3.42Å; H530-F597 HydrophobicContact CB-CE2 3.79Å; H530-W603 AromaticContact CD2-CD1 3.99Å; H530-W603 AromaticContact CG-CD1 3.82Å
531F92Very high87.2Confident0 Ų044.9 Ų44.90%022%0.222CC..Hα-helixtrans-67.8-38.3173.6-68.1-94.9000112.1I492 Y505 I507 R526 R527 F528 R529 E533 L534 H535 L550 L571 Y574 L575 F597I492-F531 HydrophobicContact CD1-CZ 4.13Å; Y505-F531 HydrophobicContact CD2-CE2 4.13Å; I507-F531 HydrophobicContact CD1-CE1 4.45Å; I507-F531 HydrophobicContact CD1-CZ 3.78Å; I507-F531 HydrophobicContact CG1-CZ 4.5Å; R526-F531 HydrophobicContact CB-CE2 3.97Å; R527-F531 WeakPolarHBondContact O-CD2 3.35Å; F528-F531 WeakPolarHBondContact O-CB 3.37Å; F528-F531 PolarHBondContact O-N 3.45Å; R529-F531 VanDerWaalsContact C-N 3.3Å; R529-F531 PolarHBondContact O-N 2.93Å; F531-E533 VanDerWaalsContact C-N 3.35Å; F531-L534 PolarHBondContact O-N 2.86Å; F531-H535 WeakPolarHBondContact O-CB 3.33Å; F531-H535 PolarHBondContact O-N 3.13Å; F531-L550 HydrophobicContact CB-CD1 3.89Å; F531-L571 HydrophobicContact CB-CD2 4.07Å; F531-L571 HydrophobicContact CD1-CD2 3.72Å; F531-L571 HydrophobicContact CD2-CD1 4.22Å; F531-L571 HydrophobicContact CD2-CD2 4.15Å; F531-L571 HydrophobicContact CE1-CB 4.36Å; F531-L571 HydrophobicContact CE1-CD2 4.1Å; F531-L571 HydrophobicContact CE2-CD1 4.02Å; F531-L571 HydrophobicContact CG-CD2 3.73Å; F531-L571 HydrophobicContact CZ-CB 4.5Å; F531-L571 HydrophobicContact CZ-CD1 4.23Å; F531-L571 HydrophobicContact CZ-CD2 4.48Å; F531-Y574 HydrophobicContact CD1-CD1 4.15Å; F531-Y574 HydrophobicContact CD1-CE1 4.29Å; F531-L575 HydrophobicContact CE1-CD1 4.15Å; F531-L575 HydrophobicContact CE1-CD2 4.01Å; F531-L575 HydrophobicContact CE1-CG 4.03Å; F531-L575 HydrophobicContact CZ-CD1 4.47Å; F531-F597 HydrophobicContact CD1-CE1 4.26Å; F531-F597 AromaticContact CD1-CZ 3.85Å; F531-F597 HydrophobicContact CD1-CZ 3.85Å; F531-F597 HydrophobicContact CD2-CZ 4.13Å; F531-F597 AromaticContact CE1-CE1 3.95Å; F531-F597 HydrophobicContact CE1-CE1 3.95Å; F531-F597 AromaticContact CE1-CZ 3.84Å; F531-F597 HydrophobicContact CE1-CZ 3.84Å; F531-F597 HydrophobicContact CE2-CZ 4.11Å; F531-F597 HydrophobicContact CG-CZ 4.01Å; F531-F597 HydrophobicContact CZ-CE1 4.24Å; F531-F597 AromaticContact CZ-CZ 3.98Å; F531-F597 HydrophobicContact CZ-CZ 3.98Å
532V85.8Confident86.4Confident61 Ų6142.9 Ų42.937%0.3721%0.207SC..Hα-helixtrans-62.5-43.2175179.40000110.8F528 R529 H535 S536 L550F528-V532 HydrophobicContact CD1-CG2 4.13Å; F528-V532 HydrophobicContact CE1-CG2 3.73Å; F528-V532 HydrophobicContact CZ-CG2 4.03Å; F528-V532 PolarHBondContact O-N 2.73Å; R529-V532 WeakPolarHBondContact O-CB 3.4Å; R529-V532 PolarHBondContact O-N 2.85Å; V532-H535 PolarHBondContact O-N 3.32Å; V532-S536 PolarHBondContact O-N 3.06Å; V532-L550 HydrophobicContact CB-CD2 4.33Å; V532-L550 HydrophobicContact CG2-CD2 3.92Å
533E85.7Confident85.3Confident8 Ų842 Ų424%0.03722%0.215CC..Hα-helixtrans-61.9-51.8175.4-71.7166.3-172.700111.9R529 H530 F531 H535 S536 F537 W603 R611R529-E533 IonicContact CZ-OE1 3.56Å; R529-E533 IonicContact NE-OE1 3.06Å; R529-E533 IonicContact NH1-OE1 3.31Å; R529-E533 PolarHBondContact NH1-OE1 3.3Å; R529-E533 IonicContact NH2-OE1 3.43Å; R529-E533 PolarHBondContact NH2-OE1 3.04Å; R529-E533 WeakPolarHBondContact O-CG 3.33Å; R529-E533 PolarHBondContact O-N 3.45Å; H530-E533 IonicContact CD2-OE2 3.03Å; H530-E533 PolarHBondContact O-N 2.74Å; F531-E533 VanDerWaalsContact C-N 3.35Å; E533-H535 VanDerWaalsContact C-N 3.27Å; E533-H535 PolarHBondContact O-N 3.4Å; E533-S536 WeakPolarHBondContact O-CB 3.49Å; E533-S536 PolarHBondContact O-N 3.19Å; E533-S536 VanDerWaalsContact O-N 3.08Å; E533-F537 HydrophobicContact CB-CE2 4.24Å; E533-F537 VanDerWaalsContact O-CD2 3.28Å; E533-F537 WeakPolarHBondContact O-CD2 3.35Å; E533-F537 WeakPolarHBondContact O-CG 3.43Å; E533-F537 PolarHBondContact O-N 3.47Å; E533-W603 HydrophobicContact CB-CZ2 4.3Å; E533-W603 PolarHBondContact OE2-NE1 3.33Å; E533-R611 WeakPolarHBondContact OE1-CG 3.1Å
534L90.9Very high84.1Confident0 Ų048.5 Ų48.50%023%0.233CC..Hα-helixtrans-53.9-47176.5173.565.5000110.8H530 F531 S536 F537 L538 Y574 L578 L593 F597 W603H530-L534 WeakPolarHBondContact O-CB 3.43Å; H530-L534 PolarHBondContact O-N 3.42Å; F531-L534 PolarHBondContact O-N 2.86Å; L534-S536 VanDerWaalsContact C-N 3.33Å; L534-S536 PolarHBondContact O-N 3.43Å; L534-F537 PolarHBondContact O-N 2.88Å; L534-F537 VanDerWaalsContact O-N 3.16Å; L534-L538 HydrophobicContact CD1-CD1 4.03Å; L534-L538 HydrophobicContact CD1-CG 4.08Å; L534-L538 HydrophobicContact CD2-CD1 4.48Å; L534-L538 HydrophobicContact CG-CD1 3.87Å; L534-L538 HydrophobicContact CG-CG 4.33Å; L534-L538 WeakPolarHBondContact O-CB 3.41Å; L534-L538 VanDerWaalsContact O-CG 3.27Å; L534-L538 WeakPolarHBondContact O-CG 3.32Å; L534-L538 PolarHBondContact O-N 2.85Å; L534-Y574 HydrophobicContact CD2-CE1 4.07Å; L534-L578 HydrophobicContact CD2-CD2 3.79Å; L534-L593 HydrophobicContact CD1-CB 4.09Å; L534-F597 HydrophobicContact CB-CD2 4.01Å; L534-F597 HydrophobicContact CB-CE2 4.2Å; L534-F597 HydrophobicContact CD1-CB 4.15Å; L534-F597 HydrophobicContact CD1-CG 4.44Å; L534-F597 HydrophobicContact CD2-CB 4.11Å; L534-F597 HydrophobicContact CD2-CD1 3.8Å; L534-F597 HydrophobicContact CD2-CD2 3.82Å; L534-F597 HydrophobicContact CD2-CE1 4.1Å; L534-F597 HydrophobicContact CD2-CE2 4.11Å; L534-F597 HydrophobicContact CD2-CG 3.64Å; L534-F597 HydrophobicContact CD2-CZ 4.25Å; L534-F597 HydrophobicContact CG-CD2 4.34Å; L534-F597 HydrophobicContact CG-CG 4.44Å; L534-W603 HydrophobicContact CB-CH2 4.19Å; L534-W603 HydrophobicContact CB-CZ2 4.07Å; L534-W603 HydrophobicContact CD1-CH2 3.89Å; L534-W603 HydrophobicContact CD1-CZ3 4.44Å
535H89.1Confident83.4Confident43 Ų4349.1 Ų49.120%0.19924%0.236CC..Hα-helixtrans-61.2-41.7178.6-167.869.9000112F531 V532 E533 F537 L538 T539 L548 L550 Y574F531-H535 WeakPolarHBondContact O-CB 3.33Å; F531-H535 PolarHBondContact O-N 3.13Å; V532-H535 PolarHBondContact O-N 3.32Å; E533-H535 VanDerWaalsContact C-N 3.27Å; E533-H535 PolarHBondContact O-N 3.4Å; H535-F537 PolarHBondContact O-N 3.07Å; H535-L538 PolarHBondContact O-N 3.28Å; H535-T539 WeakPolarHBondContact O-CB 3.34Å; H535-T539 PolarHBondContact O-N 3.3Å; H535-T539 PolarHBondContact O-OG1 3.5Å; H535-L548 PolarHBondContact CE1-O 2.88Å; H535-L550 HydrophobicContact CB-CD2 3.99Å; H535-Y574 WeakPolarHBondContact CA-OH 3.33Å; H535-Y574 HydrophobicContact CB-CE2 4.41Å; H535-Y574 WeakPolarHBondContact CB-OH 3.02Å; H535-Y574 AromaticContact ND1-CE2 3.48Å; H535-Y574 WeakPolarHBondContact ND1-CE2 3.27Å; H535-Y574 AromaticContact ND1-CZ 3.93Å; H535-Y574 PolarHBondContact ND1-OH 2.99Å
536S80.2Confident82.6Confident22 Ų2249.8 Ų49.815%0.15424%0.243CC..Hα-helixtrans-60.4-44173.2171.70000112V532 E533 L534 N540 R621V532-S536 PolarHBondContact O-N 3.06Å; E533-S536 WeakPolarHBondContact O-CB 3.49Å; E533-S536 PolarHBondContact O-N 3.19Å; E533-S536 VanDerWaalsContact O-N 3.08Å; L534-S536 VanDerWaalsContact C-N 3.33Å; L534-S536 PolarHBondContact O-N 3.43Å; S536-N540 VanDerWaalsContact O-CB 3.31Å; S536-N540 WeakPolarHBondContact O-CB 3.21Å; S536-N540 PolarHBondContact O-N 3.23Å; S536-N540 PolarHBondContact O-ND2 3.04Å; S536-N540 PolarHBondContact O-OD1 3.38Å; S536-R621 PolarHBondContact OG-NH1 2.99Å; S536-R621 PolarHBondContact OG-NH2 3.49Å
537F85Confident82Confident42 Ų4253.6 Ų53.618%0.18426%0.262CS..Hα-helixtrans-66.6-39.5179.3-64.6-45.9000112.1E533 L534 H535 N540 R541 L593 W603 H607 A610E533-F537 HydrophobicContact CB-CE2 4.24Å; E533-F537 VanDerWaalsContact O-CD2 3.28Å; E533-F537 WeakPolarHBondContact O-CD2 3.35Å; E533-F537 WeakPolarHBondContact O-CG 3.43Å; E533-F537 PolarHBondContact O-N 3.47Å; L534-F537 PolarHBondContact O-N 2.88Å; L534-F537 VanDerWaalsContact O-N 3.16Å; H535-F537 PolarHBondContact O-N 3.07Å; F537-N540 PolarHBondContact O-N 3.42Å; F537-R541 VanDerWaalsContact O-CB 3.24Å; F537-R541 WeakPolarHBondContact O-CB 3.48Å; F537-R541 PolarHBondContact O-N 3.19Å; F537-L593 HydrophobicContact CB-CD1 3.78Å; F537-L593 HydrophobicContact CB-CD2 4.15Å; F537-W603 AromaticContact CD2-CH2 3.84Å; F537-W603 HydrophobicContact CD2-CH2 3.84Å; F537-W603 AromaticContact CD2-CZ2 3.84Å; F537-W603 HydrophobicContact CD2-CZ2 3.84Å; F537-W603 HydrophobicContact CE2-CH2 4.21Å; F537-W603 AromaticContact CE2-CZ2 3.89Å; F537-W603 HydrophobicContact CE2-CZ2 3.89Å; F537-H607 AromaticContact CE2-CE1 3.62Å; F537-H607 AromaticContact CE2-CG 4Å; F537-H607 AromaticContact CE2-ND1 3.71Å; F537-H607 AromaticContact CE2-NE2 3.84Å; F537-H607 AromaticContact CZ-CE1 3.47Å; F537-H607 VanDerWaalsContact CZ-CE1 3.47Å; F537-H607 WeakPolarHBondContact CZ-CE1 3.45Å; F537-H607 AromaticContact CZ-ND1 3.38Å; F537-H607 WeakPolarHBondContact CZ-ND1 3.27Å; F537-A610 HydrophobicContact CE1-CB 4.26Å; F537-A610 HydrophobicContact CZ-CB 3.79Å
538L84.4Confident81.9Confident0 Ų049.3 Ų49.30%025%0.246CC..Hα-helixtrans-63-49175.8-71.2172.8000111.6L534 H535 N540 R541 C542 I545 L548 L578 S590 L593L534-L538 HydrophobicContact CD1-CD1 4.03Å; L534-L538 HydrophobicContact CD1-CG 4.08Å; L534-L538 HydrophobicContact CD2-CD1 4.48Å; L534-L538 HydrophobicContact CG-CD1 3.87Å; L534-L538 HydrophobicContact CG-CG 4.33Å; L534-L538 WeakPolarHBondContact O-CB 3.41Å; L534-L538 VanDerWaalsContact O-CG 3.27Å; L534-L538 WeakPolarHBondContact O-CG 3.32Å; L534-L538 PolarHBondContact O-N 2.85Å; H535-L538 PolarHBondContact O-N 3.28Å; L538-N540 VanDerWaalsContact C-N 3.32Å; L538-N540 PolarHBondContact O-N 2.97Å; L538-R541 PolarHBondContact O-N 3.37Å; L538-C542 WeakPolarHBondContact O-CB 3.48Å; L538-C542 PolarHBondContact O-N 2.86Å; L538-I545 HydrophobicContact CB-CD1 3.89Å; L538-L548 HydrophobicContact CD1-CD2 3.68Å; L538-L578 HydrophobicContact CD1-CD1 3.65Å; L538-L578 HydrophobicContact CD1-CD2 4.44Å; L538-L578 HydrophobicContact CD2-CD1 4.36Å; L538-S590 VanDerWaalsContact CD2-CB 3.42Å; L538-L593 HydrophobicContact CD2-CB 4.28Å; L538-L593 HydrophobicContact CD2-CD1 4.06Å
539T80Confident81.7Confident51 Ų5156.1 Ų56.131%0.31328%0.275SS..Hα-helixtrans-64.4-37.2178.5-57.50000112H535 G543H535-T539 WeakPolarHBondContact O-CB 3.34Å; H535-T539 PolarHBondContact O-N 3.3Å; H535-T539 PolarHBondContact O-OG1 3.5Å; T539-G543 WeakPolarHBondContact CA-O 3.41Å; T539-G543 CarbonylContact O-C 3.59Å; T539-G543 VanDerWaalsContact O-CA 3.23Å; T539-G543 WeakPolarHBondContact O-CA 3.43Å; T539-G543 PolarHBondContact O-N 3.02Å; T539-G543 VanDerWaalsContact O-O 3.05Å
540N73.2Confident81.9Confident97 Ų9754.9 Ų54.952%0.51927%0.273SS..Hα-helixtrans-67.5-39.6175.6-72.3-5.7000112.1S536 F537 L538 R621S536-N540 VanDerWaalsContact O-CB 3.31Å; S536-N540 WeakPolarHBondContact O-CB 3.21Å; S536-N540 PolarHBondContact O-N 3.23Å; S536-N540 PolarHBondContact O-ND2 3.04Å; S536-N540 PolarHBondContact O-OD1 3.38Å; F537-N540 PolarHBondContact O-N 3.42Å; L538-N540 VanDerWaalsContact C-N 3.32Å; L538-N540 PolarHBondContact O-N 2.97Å; N540-R621 PolarHBondContact ND2-NH1 3.26Å; N540-R621 PolarHBondContact OD1-NH1 3.13Å; N540-R621 VanDerWaalsContact OD1-NH1 3.11Å
541R76.3Confident81.4Confident105 Ų10555.9 Ų55.940%0.39628%0.281SS..Hα-helixtrans-84.1-33.3-174.6-169.7170.8-171.9171.910113.6F537 L538 G589 L593 N646F537-R541 VanDerWaalsContact O-CB 3.24Å; F537-R541 WeakPolarHBondContact O-CB 3.48Å; F537-R541 PolarHBondContact O-N 3.19Å; L538-R541 PolarHBondContact O-N 3.37Å; R541-G589 VanDerWaalsContact CD-O 3.29Å; R541-G589 WeakPolarHBondContact CD-O 3.5Å; R541-G589 PolarHBondContact NE-O 2.95Å; R541-L593 HydrophobicContact CB-CD1 4.39Å; R541-N646 PolarHBondContact NH2-OD1 3.45Å; R541-N646 VanDerWaalsContact NH2-OD1 3.14Å
542C75.1Confident80.5Confident33 Ų3359.9 Ų59.922%0.22331%0.309CS..Hα-helixtrans-110.4-1.8-174.5-58.40000113.3L538 I545 H587L538-C542 WeakPolarHBondContact O-CB 3.48Å; L538-C542 PolarHBondContact O-N 2.86Å; C542-I545 HydrophobicContact CB-CD1 4.05Å; C542-I545 HydrophobicContact CB-CG1 4.2Å; C542-H587 HydrophobicContact CB-CB 4.43Å
543G72.4Confident79.6Confident36 Ų3665.8 Ų65.837%0.37133%0.329SS..  trans76.9-152.9-176.300000112.7T539 I545T539-G543 WeakPolarHBondContact CA-O 3.41Å; T539-G543 CarbonylContact O-C 3.59Å; T539-G543 VanDerWaalsContact O-CA 3.23Å; T539-G543 WeakPolarHBondContact O-CA 3.43Å; T539-G543 PolarHBondContact O-N 3.02Å; T539-G543 VanDerWaalsContact O-O 3.05Å; G543-I545 PolarHBondContact O-N 3.3Å
544R66.4Low78.4Confident230 Ų23069 Ų6987%0.86835%0.346SS*.  trans-71.8111-177.2-172177.2-176.5171.50.9110.6T546R544-T546 HydrophobicContact CG-CG2 4.47Å
545I78.4Confident76.5Confident16 Ų1672.7 Ų72.78%0.08238%0.376CS..  trans-103.6102.6177.9-54.6161.2000108.8L538 C542 G543 L548 F583L538-I545 HydrophobicContact CB-CD1 3.89Å; C542-I545 HydrophobicContact CB-CD1 4.05Å; C542-I545 HydrophobicContact CB-CG1 4.2Å; G543-I545 PolarHBondContact O-N 3.3Å; I545-L548 HydrophobicContact CB-CB 4.38Å; I545-L548 HydrophobicContact CD1-CD2 4.48Å; I545-L548 HydrophobicContact CG2-CB 3.43Å; I545-L548 VanDerWaalsContact CG2-CB 3.43Å; I545-L548 HydrophobicContact CG2-CD2 4.5Å; I545-F583 HydrophobicContact CD1-CZ 4.42Å; I545-F583 HydrophobicContact CG2-CE2 3.51Å; I545-F583 HydrophobicContact CG2-CZ 4.01Å
546T75.2Confident74.4Confident100 Ų10079.1 Ų79.161%0.61340%0.404SS*.SBendtrans-79.9-26.9-177.946.80000113.6R544R544-T546 HydrophobicContact CG-CG2 4.47Å
547E80.3Confident73.5Confident85 Ų8583.9 Ų83.940%0.39743%0.428SS..SBendtrans-76.7-27.6-176.2-63.7168.1-163.200112.6K549E547-K549 PolarHBondContact O-N 3.43Å
548L86.7Confident72.5Confident5 Ų583.9 Ų83.93%0.02643%0.43CS..  trans-94.699-172.9-170.569.3000111.4H535 L538 I545 Y574 T577 L578 F583H535-L548 PolarHBondContact CE1-O 2.88Å; L538-L548 HydrophobicContact CD1-CD2 3.68Å; I545-L548 HydrophobicContact CB-CB 4.38Å; I545-L548 HydrophobicContact CD1-CD2 4.48Å; I545-L548 HydrophobicContact CG2-CB 3.43Å; I545-L548 VanDerWaalsContact CG2-CB 3.43Å; I545-L548 HydrophobicContact CG2-CD2 4.5Å; L548-Y574 HydrophobicContact CD1-CD2 3.73Å; L548-Y574 HydrophobicContact CD1-CE1 4.47Å; L548-Y574 HydrophobicContact CD1-CE2 3.68Å; L548-Y574 HydrophobicContact CD1-CG 4.18Å; L548-Y574 HydrophobicContact CD2-CE2 3.76Å; L548-Y574 HydrophobicContact CG-CD2 3.9Å; L548-Y574 HydrophobicContact CG-CE2 3.46Å; L548-Y574 VanDerWaalsContact CG-CE2 3.46Å; L548-T577 HydrophobicContact CD1-CG2 4.1Å; L548-L578 HydrophobicContact CD1-CB 4.22Å; L548-F583 HydrophobicContact CB-CE2 3.91Å; L548-F583 HydrophobicContact CB-CZ 4.38Å; L548-F583 HydrophobicContact CD1-CE2 4.42Å; L548-F583 HydrophobicContact CD2-CE2 4.32Å; L548-F583 HydrophobicContact CD2-CZ 3.96Å; L548-F583 HydrophobicContact CG-CE2 4.45Å
549K84Confident71.9Confident169 Ų16987.2 Ų87.274%0.73545%0.446SS*.  trans-99113-177.7-64.4-178.3-178.8178.90112.1E547E547-K549 PolarHBondContact O-N 3.43Å
550L88.1Confident71.6Confident43 Ų4385.6 Ų85.623%0.22544%0.437CS..PPolyproline II helixtrans-84133172.8-171.472.1000110.7F531 V532 H535 L571 Y574F531-L550 HydrophobicContact CB-CD1 3.89Å; V532-L550 HydrophobicContact CB-CD2 4.33Å; V532-L550 HydrophobicContact CG2-CD2 3.92Å; H535-L550 HydrophobicContact CB-CD2 3.99Å; L550-L571 HydrophobicContact CD1-CD2 4.21Å; L550-Y574 HydrophobicContact CB-CD2 4.22Å; L550-Y574 HydrophobicContact CB-CE2 4.06Å; L550-Y574 HydrophobicContact CD1-CD2 3.89Å; L550-Y574 HydrophobicContact CD1-CE2 3.77Å; L550-Y574 HydrophobicContact CD1-CG 4.37Å
551P81.1Confident71.8Confident28 Ų2885.5 Ų85.518%0.18244%0.441CS..PPolyproline II helixtrans-57.5145.6173-24.935.2000112.5F528 L571F528-P551 HydrophobicContact CE2-CB 4.46Å; F528-P551 VanDerWaalsContact CZ-O 3.32Å; F528-P551 WeakPolarHBondContact CZ-O 3.36Å; P551-L571 HydrophobicContact CG-CD2 4.07Å; P551-L571 HydrophobicContact CG-CG 4.26Å
552S72.8Confident71.8Confident84 Ų8487 Ų8759%0.58745%0.453SS*.PPolyproline II helixtrans-71.9153.5-175.259.80000114R567S552-R567 PolarHBondContact O-NH2 3.48Å
553K66.7Low72Confident185 Ų18586.6 Ų86.680%0.80445%0.447SS*.  trans-85.3113.6170.2-172.9-177.1177.4-172.40108.3F528F528-K553 HydrophobicContact CE1-CB 4.26Å
554I59.6Low72.6Confident75 Ų7585.6 Ų85.639%0.38543%0.433SS..  trans-98.3152.1170.1-52.2-173.4000107.3F556 N558 F563I554-F556 WeakPolarHBondContact CG2-O 3.45Å; I554-N558 PolarHBondContact O-ND2 3.43Å; I554-N558 PolarHBondContact O-OD1 2.67Å; I554-F563 HydrophobicContact CB-CZ 4.08Å; I554-F563 HydrophobicContact CD1-CD2 4.34Å; I554-F563 HydrophobicContact CD1-CE2 3.45Å; I554-F563 VanDerWaalsContact CD1-CE2 3.45Å; I554-F563 HydrophobicContact CD1-CZ 3.84Å; I554-F563 HydrophobicContact CG1-CE2 4.08Å; I554-F563 HydrophobicContact CG1-CZ 3.97Å
555A51.7Low73.5Confident77 Ų7775.6 Ų75.664%0.63640%0.4SS*.SBendtrans-97-28.6178.900000113N558A555-N558 PolarHBondContact O-ND2 3.26Å
556F45.4Very low73.8Confident178 Ų17880.5 Ų80.578%0.78142%0.423SS*.SBendtrans-113145.6-174-57.4-76.8000111.8I554 N558I554-F556 WeakPolarHBondContact CG2-O 3.45Å; F556-N558 PolarHBondContact O-N 3.49Å
557N61.6Low74.5Confident123 Ų12376.8 Ų76.866%0.65840%0.398SS*.SBendtrans56.528.9179.7-159.118.8000115.9M559 S560N557-M559 PolarHBondContact O-N 3.04Å; N557-M559 VanDerWaalsContact O-N 3.09Å; N557-S560 PolarHBondContact O-N 2.69Å; N557-S560 PolarHBondContact O-OG 2.92Å; N557-S560 WeakPolarHBondContact OD1-CB 3.5Å
558N62.7Low75Confident41 Ų4176.9 Ų76.922%0.21939%0.394CS..THydrogen-bonded Turntrans-64.9-11.1-178.2-79.4-42.5000115.5I554 A555 F556 F563 L564 R567I554-N558 PolarHBondContact O-ND2 3.43Å; I554-N558 PolarHBondContact O-OD1 2.67Å; A555-N558 PolarHBondContact O-ND2 3.26Å; F556-N558 PolarHBondContact O-N 3.49Å; N558-F563 HydrophobicContact CB-CE1 4.2Å; N558-F563 WeakPolarHBondContact O-CD1 3.48Å; N558-F563 VanDerWaalsContact OD1-CE1 3.25Å; N558-F563 WeakPolarHBondContact OD1-CE1 3.34Å; N558-L564 VanDerWaalsContact O-CD2 3.3Å; N558-L564 WeakPolarHBondContact O-CD2 3.39Å; N558-R567 PolarHBondContact OD1-NH2 3.45Å
559M72.6Confident75.2Confident71 Ų7183.7 Ų83.735%0.3542%0.42SS..THydrogen-bonded Turntrans-105.9-2-175.7-54.7-58.6-88.600112.6I497 V503 N557I497-M559 HydrophobicContact CB-CE 4.21Å; I497-M559 HydrophobicContact CD1-CE 4.12Å; I497-M559 HydrophobicContact CG1-CE 3.85Å; I497-M559 HydrophobicContact CG2-CE 3.4Å; V503-M559 HydrophobicContact CG2-CE 4.04Å; V503-M559 HydrophobicContact CG2-SD 3.85Å; N557-M559 PolarHBondContact O-N 3.04Å; N557-M559 VanDerWaalsContact O-N 3.09Å
560S74Confident75.6Confident17 Ų1776.7 Ų76.712%0.11940%0.396CS..  trans-60.2135.3176.8510000110.9N557 E562 F563 L564N557-S560 PolarHBondContact O-N 2.69Å; N557-S560 PolarHBondContact O-OG 2.92Å; N557-S560 WeakPolarHBondContact OD1-CB 3.5Å; S560-E562 PolarHBondContact O-N 3.32Å; S560-F563 PolarHBondContact O-N 2.86Å; S560-F563 VanDerWaalsContact O-N 3.13Å; S560-F563 WeakPolarHBondContact OG-CB 3.35Å; S560-L564 WeakPolarHBondContact O-CG 3.36Å; S560-L564 PolarHBondContact O-N 3.32Å
561P77.2Confident75.9Confident94 Ų9474.7 Ų74.761%0.6139%0.385SS*.Hα-helixtrans-53.9-38.5178.8-26.534.4000113.1L564 A565P561-L564 PolarHBondContact O-N 2.85Å; P561-A565 WeakPolarHBondContact O-CB 3.47Å; P561-A565 PolarHBondContact O-N 3.45Å
562E76.8Confident76.6Confident138 Ų13875 Ų7565%0.64539%0.385SS*.Hα-helixtrans-63.4-45.4179.1-65.269.3-150.400111.4S560 A565 Q566S560-E562 PolarHBondContact O-N 3.32Å; E562-A565 PolarHBondContact O-N 2.93Å; E562-Q566 WeakPolarHBondContact O-CB 3.41Å; E562-Q566 PolarHBondContact O-N 3.18Å
563F78.6Confident77.5Confident23 Ų2375.4 Ų75.410%0.10138%0.384CS..Hα-helixtrans-69.3-40.4178.4178.9-112000112I554 N558 S560 A565 Q566 R567I554-F563 HydrophobicContact CB-CZ 4.08Å; I554-F563 HydrophobicContact CD1-CD2 4.34Å; I554-F563 HydrophobicContact CD1-CE2 3.45Å; I554-F563 VanDerWaalsContact CD1-CE2 3.45Å; I554-F563 HydrophobicContact CD1-CZ 3.84Å; I554-F563 HydrophobicContact CG1-CE2 4.08Å; I554-F563 HydrophobicContact CG1-CZ 3.97Å; N558-F563 HydrophobicContact CB-CE1 4.2Å; N558-F563 WeakPolarHBondContact O-CD1 3.48Å; N558-F563 VanDerWaalsContact OD1-CE1 3.25Å; N558-F563 WeakPolarHBondContact OD1-CE1 3.34Å; S560-F563 PolarHBondContact O-N 2.86Å; S560-F563 VanDerWaalsContact O-N 3.13Å; S560-F563 WeakPolarHBondContact OG-CB 3.35Å; F563-A565 VanDerWaalsContact C-N 3.29Å; F563-A565 PolarHBondContact O-N 3.42Å; F563-Q566 PolarHBondContact O-N 3.21Å; F563-R567 VanDerWaalsContact CE1-NH2 3.26Å; F563-R567 WeakPolarHBondContact O-CB 3.41Å; F563-R567 PolarHBondContact O-N 3.44Å
564L84.9Confident78.9Confident15 Ų1566.6 Ų66.68%0.07935%0.346CS..Hα-helixtrans-62.8-38.5174.2-65.3-175.2000111.3I497 V503 N558 S560 P561 R568I497-L564 HydrophobicContact CD1-CD1 3.99Å; I497-L564 HydrophobicContact CG1-CD1 4Å; V503-L564 HydrophobicContact CB-CD2 4.48Å; V503-L564 HydrophobicContact CG1-CD2 4.23Å; V503-L564 HydrophobicContact CG2-CD1 4.12Å; V503-L564 HydrophobicContact CG2-CD2 3.81Å; N558-L564 VanDerWaalsContact O-CD2 3.3Å; N558-L564 WeakPolarHBondContact O-CD2 3.39Å; S560-L564 WeakPolarHBondContact O-CG 3.36Å; S560-L564 PolarHBondContact O-N 3.32Å; P561-L564 PolarHBondContact O-N 2.85Å; L564-R568 WeakPolarHBondContact O-CB 3.4Å; L564-R568 PolarHBondContact O-N 3.32Å
565A84.7Confident80.7Confident21 Ų2163 Ų6317%0.17433%0.327CS..Hα-helixtrans-64.8-41.1172.900000112.1P561 E562 F563 R569P561-A565 WeakPolarHBondContact O-CB 3.47Å; P561-A565 PolarHBondContact O-N 3.45Å; E562-A565 PolarHBondContact O-N 2.93Å; F563-A565 VanDerWaalsContact C-N 3.29Å; F563-A565 PolarHBondContact O-N 3.42Å; A565-R569 WeakPolarHBondContact O-CG 3.44Å; A565-R569 PolarHBondContact O-N 2.91Å
566Q86.1Confident82.7Confident119 Ų11964 Ų6456%0.55632%0.321SS*.Hα-helixtrans-65.2-48.8175.4-176.8-1787.600112.3E562 F563 R568 R569 G570E562-Q566 WeakPolarHBondContact O-CB 3.41Å; E562-Q566 PolarHBondContact O-N 3.18Å; F563-Q566 PolarHBondContact O-N 3.21Å; Q566-R568 VanDerWaalsContact C-N 3.33Å; Q566-R568 PolarHBondContact O-N 3.03Å; Q566-R569 WeakPolarHBondContact O-CB 3.36Å; Q566-R569 PolarHBondContact O-N 3.21Å; Q566-G570 PolarHBondContact O-N 3.24Å
567R88.2Confident85Confident21 Ų2157.1 Ų57.18%0.07929%0.294CS..Hα-helixtrans-62.3-41.2177.6-177.3177-82.2159.8-8.1110.9Y505 F528 S552 N558 F563 R569 G570 L571Y505-R567 WeakPolarHBondContact OH-CD 3.49Å; F528-R567 HydrophobicContact CD2-CG 4.3Å; F528-R567 HydrophobicContact CE2-CG 4.46Å; S552-R567 PolarHBondContact O-NH2 3.48Å; N558-R567 PolarHBondContact OD1-NH2 3.45Å; F563-R567 VanDerWaalsContact CE1-NH2 3.26Å; F563-R567 WeakPolarHBondContact O-CB 3.41Å; F563-R567 PolarHBondContact O-N 3.44Å; R567-R569 VanDerWaalsContact C-N 3.35Å; R567-R569 PolarHBondContact O-N 3.15Å; R567-G570 PolarHBondContact O-N 2.76Å; R567-L571 HydrophobicContact CG-CD1 4.1Å; R567-L571 HydrophobicContact CG-CG 4.29Å; R567-L571 WeakPolarHBondContact O-CB 3.28Å; R567-L571 VanDerWaalsContact O-CG 3.31Å; R567-L571 WeakPolarHBondContact O-CG 3.41Å; R567-L571 PolarHBondContact O-N 3.26Å
568R91Very high86.4Confident87 Ų8751.3 Ų51.333%0.32826%0.263SS..Hα-helixtrans-57.9-44.7173.1-174.6-18070.9-155.53111.8I492 Y505 L564 Q566 L571 N572I492-R568 HydrophobicContact CB-CG 4.15Å; I492-R568 HydrophobicContact CG2-CG 3.71Å; Y505-R568 HydrophobicContact CE1-CB 4.48Å; L564-R568 WeakPolarHBondContact O-CB 3.4Å; L564-R568 PolarHBondContact O-N 3.32Å; Q566-R568 VanDerWaalsContact C-N 3.33Å; Q566-R568 PolarHBondContact O-N 3.03Å; R568-L571 PolarHBondContact O-N 3.46Å; R568-N572 PolarHBondContact O-N 2.85Å
569R91.6Very high87.9Confident149 Ų14950.2 Ų50.256%0.56226%0.259SS*.Hα-helixtrans-59.9-46.5174.2-74.9-176.8-121.7108.51.8111.4A565 Q566 R567 L571 N572 V573A565-R569 WeakPolarHBondContact O-CG 3.44Å; A565-R569 PolarHBondContact O-N 2.91Å; Q566-R569 WeakPolarHBondContact O-CB 3.36Å; Q566-R569 PolarHBondContact O-N 3.21Å; R567-R569 VanDerWaalsContact C-N 3.35Å; R567-R569 PolarHBondContact O-N 3.15Å; R569-L571 PolarHBondContact O-N 3.23Å; R569-N572 PolarHBondContact O-N 3.39Å; R569-V573 WeakPolarHBondContact O-CG2 3.36Å; R569-V573 PolarHBondContact O-N 2.94Å
570G91.8Very high88.7Confident22 Ų2248.8 Ų48.823%0.22726%0.255CS..Hα-helixtrans-63-39.8178.300000113.6Q566 R567 V573 Y574Q566-G570 PolarHBondContact O-N 3.24Å; R567-G570 PolarHBondContact O-N 2.76Å; G570-V573 PolarHBondContact O-N 3.28Å; G570-Y574 PolarHBondContact O-N 2.98Å
571L95.6Very high89.3Confident0 Ų052.1 Ų52.10%028%0.279CS..Hα-helixtrans-70.4-32.2175.8-67.2175.4000112.5I492 Y505 F528 F531 L550 P551 R567 R568 R569 Y574 L575I492-L571 HydrophobicContact CD1-CB 3.34Å; I492-L571 HydrophobicContact CD1-CD1 4.17Å; I492-L571 HydrophobicContact CD1-CG 4.41Å; Y505-L571 HydrophobicContact CD1-CD1 4.22Å; Y505-L571 HydrophobicContact CD2-CD1 4.05Å; Y505-L571 HydrophobicContact CE1-CD1 3.92Å; Y505-L571 HydrophobicContact CE2-CD1 3.78Å; Y505-L571 HydrophobicContact CG-CD1 4.28Å; F528-L571 HydrophobicContact CD2-CD1 4.27Å; F528-L571 HydrophobicContact CD2-CD2 4.16Å; F528-L571 HydrophobicContact CE2-CD2 4.24Å; F531-L571 HydrophobicContact CB-CD2 4.07Å; F531-L571 HydrophobicContact CD1-CD2 3.72Å; F531-L571 HydrophobicContact CD2-CD1 4.22Å; F531-L571 HydrophobicContact CD2-CD2 4.15Å; F531-L571 HydrophobicContact CE1-CB 4.36Å; F531-L571 HydrophobicContact CE1-CD2 4.1Å; F531-L571 HydrophobicContact CE2-CD1 4.02Å; F531-L571 HydrophobicContact CG-CD2 3.73Å; F531-L571 HydrophobicContact CZ-CB 4.5Å; F531-L571 HydrophobicContact CZ-CD1 4.23Å; F531-L571 HydrophobicContact CZ-CD2 4.48Å; L550-L571 HydrophobicContact CD1-CD2 4.21Å; P551-L571 HydrophobicContact CG-CD2 4.07Å; P551-L571 HydrophobicContact CG-CG 4.26Å; R567-L571 HydrophobicContact CG-CD1 4.1Å; R567-L571 HydrophobicContact CG-CG 4.29Å; R567-L571 WeakPolarHBondContact O-CB 3.28Å; R567-L571 VanDerWaalsContact O-CG 3.31Å; R567-L571 WeakPolarHBondContact O-CG 3.41Å; R567-L571 PolarHBondContact O-N 3.26Å; R568-L571 PolarHBondContact O-N 3.46Å; R569-L571 PolarHBondContact O-N 3.23Å; L571-Y574 WeakPolarHBondContact O-CB 3.46Å; L571-Y574 PolarHBondContact O-N 3.46Å; L571-L575 WeakPolarHBondContact O-CG 3.33Å; L571-L575 PolarHBondContact O-N 3.38Å
572N94.3Very high89.7Confident36 Ų3653.8 Ų53.819%0.19328%0.278CS..Hα-helixtrans-65.6-42.1171.5-89.9-24.8000112I492 R568 R569 Y574 L575 N576I492-N572 WeakPolarHBondContact CB-OD1 3.17Å; I492-N572 PolarHBondContact N-OD1 3.44Å; I492-N572 PolarHBondContact O-ND2 3.22Å; R568-N572 PolarHBondContact O-N 2.85Å; R569-N572 PolarHBondContact O-N 3.39Å; N572-Y574 VanDerWaalsContact C-N 3.32Å; N572-Y574 PolarHBondContact O-N 2.86Å; N572-L575 PolarHBondContact O-N 2.97Å; N572-N576 WeakPolarHBondContact O-CB 3.32Å; N572-N576 PolarHBondContact O-N 3.26Å; N572-N576 PolarHBondContact O-ND2 3.22Å
573V93.3Very high90.3Very high91 Ų9147.2 Ų47.255%0.55225%0.248SC*.Hα-helixtrans-60.5-45.5172.8175.10000110.2R569 G570 L575 N576 T577R569-V573 WeakPolarHBondContact O-CG2 3.36Å; R569-V573 PolarHBondContact O-N 2.94Å; G570-V573 PolarHBondContact O-N 3.28Å; V573-L575 PolarHBondContact O-N 3.5Å; V573-N576 PolarHBondContact O-N 2.93Å; V573-T577 PolarHBondContact O-N 2.77Å; V573-T577 PolarHBondContact O-OG1 3.35Å; V573-T577 VanDerWaalsContact O-OG1 3.12Å
574Y95.9Very high90.7Very high1 Ų146.7 Ų46.70%0.00425%0.246CC..Hα-helixtrans-55.4-48175.8-179.3-86.1000112.8F531 L534 H535 L548 L550 G570 L571 N572 L578F531-Y574 HydrophobicContact CD1-CD1 4.15Å; F531-Y574 HydrophobicContact CD1-CE1 4.29Å; L534-Y574 HydrophobicContact CD2-CE1 4.07Å; H535-Y574 WeakPolarHBondContact CA-OH 3.33Å; H535-Y574 HydrophobicContact CB-CE2 4.41Å; H535-Y574 WeakPolarHBondContact CB-OH 3.02Å; H535-Y574 AromaticContact ND1-CE2 3.48Å; H535-Y574 WeakPolarHBondContact ND1-CE2 3.27Å; H535-Y574 AromaticContact ND1-CZ 3.93Å; H535-Y574 PolarHBondContact ND1-OH 2.99Å; L548-Y574 HydrophobicContact CD1-CD2 3.73Å; L548-Y574 HydrophobicContact CD1-CE1 4.47Å; L548-Y574 HydrophobicContact CD1-CE2 3.68Å; L548-Y574 HydrophobicContact CD1-CG 4.18Å; L548-Y574 HydrophobicContact CD2-CE2 3.76Å; L548-Y574 HydrophobicContact CG-CD2 3.9Å; L548-Y574 HydrophobicContact CG-CE2 3.46Å; L548-Y574 VanDerWaalsContact CG-CE2 3.46Å; L550-Y574 HydrophobicContact CB-CD2 4.22Å; L550-Y574 HydrophobicContact CB-CE2 4.06Å; L550-Y574 HydrophobicContact CD1-CD2 3.89Å; L550-Y574 HydrophobicContact CD1-CE2 3.77Å; L550-Y574 HydrophobicContact CD1-CG 4.37Å; G570-Y574 PolarHBondContact O-N 2.98Å; L571-Y574 WeakPolarHBondContact O-CB 3.46Å; L571-Y574 PolarHBondContact O-N 3.46Å; N572-Y574 VanDerWaalsContact C-N 3.32Å; N572-Y574 PolarHBondContact O-N 2.86Å; Y574-L578 HydrophobicContact CE1-CD2 4.24Å; Y574-L578 VanDerWaalsContact O-CB 3.31Å; Y574-L578 WeakPolarHBondContact O-CB 3.33Å; Y574-L578 PolarHBondContact O-N 2.73Å
575L96Very high90.7Very high0 Ų050.6 Ų50.60%027%0.267CS..Hα-helixtrans-66.7-40.8177.9-72.6175000112.4A490 I492 I507 F531 L571 N572 V573 T577 L578 C579 F597 L598A490-L575 HydrophobicContact CB-CB 4.38Å; A490-L575 HydrophobicContact CB-CD1 4.29Å; I492-L575 HydrophobicContact CD1-CD1 4.14Å; I492-L575 HydrophobicContact CG1-CD1 3.88Å; I507-L575 HydrophobicContact CD1-CD1 4.26Å; I507-L575 HydrophobicContact CG1-CD1 4.41Å; I507-L575 HydrophobicContact CG2-CD1 3.97Å; F531-L575 HydrophobicContact CE1-CD1 4.15Å; F531-L575 HydrophobicContact CE1-CD2 4.01Å; F531-L575 HydrophobicContact CE1-CG 4.03Å; F531-L575 HydrophobicContact CZ-CD1 4.47Å; L571-L575 WeakPolarHBondContact O-CG 3.33Å; L571-L575 PolarHBondContact O-N 3.38Å; N572-L575 PolarHBondContact O-N 2.97Å; V573-L575 PolarHBondContact O-N 3.5Å; L575-T577 PolarHBondContact O-N 3.48Å; L575-L578 PolarHBondContact O-N 3.37Å; L575-C579 WeakPolarHBondContact O-CB 3.19Å; L575-C579 PolarHBondContact O-N 3.39Å; L575-C579 PolarHBondContact O-SG 3.05Å; L575-F597 HydrophobicContact CD2-CE1 4.25Å; L575-L598 HydrophobicContact CD2-CD2 4.41Å
576N93.8Very high90.7Very high96 Ų9653.6 Ų53.651%0.51328%0.28SS..Hα-helixtrans-62.2-43.7177.2-73.9-18.6000111.6N572 V573 S580N572-N576 WeakPolarHBondContact O-CB 3.32Å; N572-N576 PolarHBondContact O-N 3.26Å; N572-N576 PolarHBondContact O-ND2 3.22Å; V573-N576 PolarHBondContact O-N 2.93Å; N576-S580 WeakPolarHBondContact O-CB 3.34Å; N576-S580 PolarHBondContact O-N 3.04Å
577T93.5Very high90.7Very high35 Ų3549.6 Ų49.622%0.21526%0.261CS..Hα-helixtrans-62.2-49.6173.9-58.20000110.2L548 V573 L575 C579 S580 F583L548-T577 HydrophobicContact CD1-CG2 4.1Å; V573-T577 PolarHBondContact O-N 2.77Å; V573-T577 PolarHBondContact O-OG1 3.35Å; V573-T577 VanDerWaalsContact O-OG1 3.12Å; L575-T577 PolarHBondContact O-N 3.48Å; T577-C579 VanDerWaalsContact C-N 3.29Å; T577-C579 PolarHBondContact O-N 3.44Å; T577-S580 WeakPolarHBondContact O-CB 3.24Å; T577-S580 PolarHBondContact O-N 3.23Å; T577-S580 VanDerWaalsContact O-N 3.1Å; T577-S580 PolarHBondContact O-OG 2.92Å; T577-F583 HydrophobicContact CG2-CD2 4.05Å; T577-F583 WeakPolarHBondContact O-CB 3.4Å; T577-F583 WeakPolarHBondContact O-CG 3.08Å
578L92.9Very high90.5Very high0 Ų052.4 Ų52.40%028%0.282CS..Hα-helixtrans-58.6-38.3-179.7-177.962.7000112.9L534 L538 L548 Y574 L575 F583 Q584 C594L534-L578 HydrophobicContact CD2-CD2 3.79Å; L538-L578 HydrophobicContact CD1-CD1 3.65Å; L538-L578 HydrophobicContact CD1-CD2 4.44Å; L538-L578 HydrophobicContact CD2-CD1 4.36Å; L548-L578 HydrophobicContact CD1-CB 4.22Å; Y574-L578 HydrophobicContact CE1-CD2 4.24Å; Y574-L578 VanDerWaalsContact O-CB 3.31Å; Y574-L578 WeakPolarHBondContact O-CB 3.33Å; Y574-L578 PolarHBondContact O-N 2.73Å; L575-L578 PolarHBondContact O-N 3.37Å; L578-F583 HydrophobicContact CD1-CD1 4.06Å; L578-F583 HydrophobicContact CD1-CE1 3.49Å; L578-F583 VanDerWaalsContact CD1-CE1 3.49Å; L578-F583 HydrophobicContact CD1-CZ 4.17Å; L578-F583 WeakPolarHBondContact O-CD1 3.49Å; L578-Q584 PolarHBondContact O-NE2 2.96Å; L578-C594 HydrophobicContact CD1-CB 4.47Å; L578-C594 HydrophobicContact CD2-CB 4.39Å; L578-C594 HydrophobicContact CG-CB 4.35Å
579C92.7Very high90.1Very high19 Ų1949.5 Ų49.513%0.12828%0.279CS..Hα-helixtrans-88-6.1179.5-690000114Y488 L575 T577Y488-C579 WeakPolarHBondContact O-CB 3.5Å; L575-C579 WeakPolarHBondContact O-CB 3.19Å; L575-C579 PolarHBondContact O-N 3.39Å; L575-C579 PolarHBondContact O-SG 3.05Å; T577-C579 VanDerWaalsContact C-N 3.29Å; T577-C579 PolarHBondContact O-N 3.44Å
580S90Very high89.9Confident40 Ų4042.4 Ų42.428%0.2825%0.252SS..SBendtrans-65.1145.5-179.171.50000111.4N576 T577 E582 F583 Q584N576-S580 WeakPolarHBondContact O-CB 3.34Å; N576-S580 PolarHBondContact O-N 3.04Å; T577-S580 WeakPolarHBondContact O-CB 3.24Å; T577-S580 PolarHBondContact O-N 3.23Å; T577-S580 VanDerWaalsContact O-N 3.1Å; T577-S580 PolarHBondContact O-OG 2.92Å; S580-E582 PolarHBondContact O-N 3.08Å; S580-F583 PolarHBondContact O-N 3Å; S580-F583 WeakPolarHBondContact OG-CB 3.15Å; S580-F583 PolarHBondContact OG-N 3.45Å; S580-F583 VanDerWaalsContact OG-N 3.15Å; S580-Q584 WeakPolarHBondContact O-CG 3.2Å; S580-Q584 PolarHBondContact O-N 3.44Å
581S86.1Confident89.7Confident87 Ų8743.1 Ų43.161%0.60825%0.248SC*.Hα-helixtrans-60.9-37.3177.1-176.30000111.4Q584 N585S581-Q584 PolarHBondContact O-N 3.32Å; S581-N585 VanDerWaalsContact O-CB 3.28Å; S581-N585 WeakPolarHBondContact O-CB 3.47Å; S581-N585 PolarHBondContact O-N 3.49Å; S581-N585 PolarHBondContact O-ND2 3Å; S581-N585 PolarHBondContact OG-ND2 3.14Å
582E86.5Confident89.2Confident129 Ų12946.2 Ų46.260%0.60327%0.268SS*.Hα-helixtrans-59-51.7176-173.9173.5-169.800111.8S580 Q584 N585 N586S580-E582 PolarHBondContact O-N 3.08Å; E582-Q584 PolarHBondContact O-N 3.27Å; E582-N585 PolarHBondContact O-N 3.47Å; E582-N586 WeakPolarHBondContact O-CB 3.15Å; E582-N586 VanDerWaalsContact O-CG 3.25Å; E582-N586 PolarHBondContact O-N 3.33Å
583F89.3Confident89Confident0 Ų045.2 Ų45.20%026%0.263CS..Hα-helixtrans-62.9-43.9179-173.4-89.5000112.9I545 L548 T577 L578 S580 N585 N586 H587I545-F583 HydrophobicContact CD1-CZ 4.42Å; I545-F583 HydrophobicContact CG2-CE2 3.51Å; I545-F583 HydrophobicContact CG2-CZ 4.01Å; L548-F583 HydrophobicContact CB-CE2 3.91Å; L548-F583 HydrophobicContact CB-CZ 4.38Å; L548-F583 HydrophobicContact CD1-CE2 4.42Å; L548-F583 HydrophobicContact CD2-CE2 4.32Å; L548-F583 HydrophobicContact CD2-CZ 3.96Å; L548-F583 HydrophobicContact CG-CE2 4.45Å; T577-F583 HydrophobicContact CG2-CD2 4.05Å; T577-F583 WeakPolarHBondContact O-CB 3.4Å; T577-F583 WeakPolarHBondContact O-CG 3.08Å; L578-F583 HydrophobicContact CD1-CD1 4.06Å; L578-F583 HydrophobicContact CD1-CE1 3.49Å; L578-F583 VanDerWaalsContact CD1-CE1 3.49Å; L578-F583 HydrophobicContact CD1-CZ 4.17Å; L578-F583 WeakPolarHBondContact O-CD1 3.49Å; S580-F583 PolarHBondContact O-N 3Å; S580-F583 WeakPolarHBondContact OG-CB 3.15Å; S580-F583 PolarHBondContact OG-N 3.45Å; S580-F583 VanDerWaalsContact OG-N 3.15Å; F583-N585 VanDerWaalsContact C-N 3.29Å; F583-N585 PolarHBondContact O-N 3.28Å; F583-N586 PolarHBondContact O-N 3.43Å; F583-H587 AromaticContact CD2-CD2 3.84Å; F583-H587 HydrophobicContact CE1-CB 4.3Å; F583-H587 AromaticContact CE2-CD2 3.54Å; F583-H587 HydrophobicContact CZ-CB 4.44Å; F583-H587 AromaticContact CZ-CD2 3.78Å; F583-H587 PolarHBondContact O-N 3.08Å
584Q86.8Confident88.8Confident12 Ų1241 Ų416%0.05624%0.238CC..Hα-helixtrans-66-32.8179.5-70.2-67.3-43.200112.1L578 S580 S581 E582 H587 P588 S590 R591L578-Q584 PolarHBondContact O-NE2 2.96Å; S580-Q584 WeakPolarHBondContact O-CG 3.2Å; S580-Q584 PolarHBondContact O-N 3.44Å; S581-Q584 PolarHBondContact O-N 3.32Å; E582-Q584 PolarHBondContact O-N 3.27Å; Q584-H587 CarbonylContact O-C 3.33Å; Q584-P588 WeakPolarHBondContact O-CA 3.08Å; Q584-S590 PolarHBondContact NE2-OG 3.21Å; Q584-R591 VanDerWaalsContact OE1-CB 3.25Å
585N83.9Confident88.5Confident98 Ų9842.8 Ų42.852%0.52425%0.247SC..Hα-helixtrans-73.5-39.9174.5-69.1-24.1000112S581 E582 F583S581-N585 VanDerWaalsContact O-CB 3.28Å; S581-N585 WeakPolarHBondContact O-CB 3.47Å; S581-N585 PolarHBondContact O-N 3.49Å; S581-N585 PolarHBondContact O-ND2 3Å; S581-N585 PolarHBondContact OG-ND2 3.14Å; E582-N585 PolarHBondContact O-N 3.47Å; F583-N585 VanDerWaalsContact C-N 3.29Å; F583-N585 PolarHBondContact O-N 3.28Å
586N84.9Confident88.2Confident84 Ų8445.5 Ų45.545%0.44926%0.259SS..Hα-helixtrans-72.3-31.5178.6-69.2-11.9000112.2E582 F583E582-N586 WeakPolarHBondContact O-CB 3.15Å; E582-N586 VanDerWaalsContact O-CG 3.25Å; E582-N586 PolarHBondContact O-N 3.33Å; F583-N586 PolarHBondContact O-N 3.43Å
587H86.9Confident88.2Confident35 Ų3540.9 Ų40.916%0.16224%0.235CC..  trans-130.870.2-176.2-57.3-62.5000112C542 F583 Q584 G589 S590C542-H587 HydrophobicContact CB-CB 4.43Å; F583-H587 AromaticContact CD2-CD2 3.84Å; F583-H587 HydrophobicContact CE1-CB 4.3Å; F583-H587 AromaticContact CE2-CD2 3.54Å; F583-H587 HydrophobicContact CZ-CB 4.44Å; F583-H587 AromaticContact CZ-CD2 3.78Å; F583-H587 PolarHBondContact O-N 3.08Å; Q584-H587 CarbonylContact O-C 3.33Å; H587-G589 PolarHBondContact O-N 3.29Å; H587-G589 VanDerWaalsContact O-N 3.13Å; H587-S590 VanDerWaalsContact O-CB 3.26Å; H587-S590 WeakPolarHBondContact O-CB 3.19Å; H587-S590 PolarHBondContact O-N 3.29Å; H587-S590 PolarHBondContact O-OG 2.8Å
588P83.5Confident88.1Confident79 Ų7939.2 Ų39.251%0.51323%0.225SC..G310 helixtrans-60.9-27.3-177.823.5-33.8000113.2Q584 S590 R591Q584-P588 WeakPolarHBondContact O-CA 3.08Å; P588-S590 PolarHBondContact O-N 2.97Å; P588-R591 PolarHBondContact O-N 3.12Å
589G82.4Confident87.9Confident26 Ų2643.2 Ų43.227%0.26824%0.243SC..G310 helixtrans-66.5-15.2174.500000114.8R541 H587R541-G589 VanDerWaalsContact CD-O 3.29Å; R541-G589 WeakPolarHBondContact CD-O 3.5Å; R541-G589 PolarHBondContact NE-O 2.95Å; H587-G589 PolarHBondContact O-N 3.29Å; H587-G589 VanDerWaalsContact O-N 3.13Å
590S87.2Confident87.5Confident0 Ų045.3 Ų45.30%026%0.256CS..G310 helixtrans-75.8-25.3177.570.20000113.1L538 Q584 H587 P588 L593 C594L538-S590 VanDerWaalsContact CD2-CB 3.42Å; Q584-S590 PolarHBondContact NE2-OG 3.21Å; H587-S590 VanDerWaalsContact O-CB 3.26Å; H587-S590 WeakPolarHBondContact O-CB 3.19Å; H587-S590 PolarHBondContact O-N 3.29Å; H587-S590 PolarHBondContact O-OG 2.8Å; P588-S590 PolarHBondContact O-N 2.97Å; S590-L593 PolarHBondContact O-N 3.31Å; S590-C594 WeakPolarHBondContact O-CB 3.5Å; S590-C594 PolarHBondContact O-N 3.04Å
591R87.3Confident86.4Confident37 Ų3748 Ų4814%0.1427%0.268CS..Hα-helixtrans-58.8-47.2-169.4-170.4176.7178.685.7-2.9113.9F484 D486 Q584 P588 L593 C594 I595F484-R591 VanDerWaalsContact CE1-CD 3.44Å; D486-R591 PolarHBondContact O-NH2 3.11Å; Q584-R591 VanDerWaalsContact OE1-CB 3.25Å; P588-R591 PolarHBondContact O-N 3.12Å; R591-L593 VanDerWaalsContact C-N 3.33Å; R591-L593 PolarHBondContact O-N 2.92Å; R591-C594 WeakPolarHBondContact O-CB 3.5Å; R591-C594 PolarHBondContact O-N 3.38Å; R591-I595 HydrophobicContact CG-CD1 3.85Å; R591-I595 HydrophobicContact CG-CG1 4.38Å; R591-I595 WeakPolarHBondContact O-CG1 3.48Å; R591-I595 PolarHBondContact O-N 3.16Å
592P86.6Confident85.6Confident65 Ų6545.2 Ų45.242%0.42225%0.248SC..Hα-helixtrans-61.2-42.2-179.8-22.534.6000112.4I595 E596P592-I595 PolarHBondContact O-N 2.84Å; P592-E596 WeakPolarHBondContact O-CB 3.32Å; P592-E596 PolarHBondContact O-N 3.32Å
593L88.3Confident85Confident15 Ų1539.1 Ų39.18%0.07922%0.22CC..Hα-helixtrans-66.3-38.6177.8-68170.2000111.7L534 F537 L538 R541 S590 R591 F597L534-L593 HydrophobicContact CD1-CB 4.09Å; F537-L593 HydrophobicContact CB-CD1 3.78Å; F537-L593 HydrophobicContact CB-CD2 4.15Å; L538-L593 HydrophobicContact CD2-CB 4.28Å; L538-L593 HydrophobicContact CD2-CD1 4.06Å; R541-L593 HydrophobicContact CB-CD1 4.39Å; S590-L593 PolarHBondContact O-N 3.31Å; R591-L593 VanDerWaalsContact C-N 3.33Å; R591-L593 PolarHBondContact O-N 2.92Å; L593-F597 VanDerWaalsContact O-CB 3.27Å; L593-F597 WeakPolarHBondContact O-CB 3.48Å; L593-F597 PolarHBondContact O-N 3.26Å
594C90.8Very high83.8Confident4 Ų444.2 Ų44.23%0.02724%0.243CC..Hα-helixtrans-62.3-49.2175.1-176.30000111.2L578 S590 R591 E596 F597 L598L578-C594 HydrophobicContact CD1-CB 4.47Å; L578-C594 HydrophobicContact CD2-CB 4.39Å; L578-C594 HydrophobicContact CG-CB 4.35Å; S590-C594 WeakPolarHBondContact O-CB 3.5Å; S590-C594 PolarHBondContact O-N 3.04Å; R591-C594 WeakPolarHBondContact O-CB 3.5Å; R591-C594 PolarHBondContact O-N 3.38Å; C594-E596 PolarHBondContact O-N 2.92Å; C594-F597 PolarHBondContact O-N 3.43Å; C594-L598 WeakPolarHBondContact O-CB 3.44Å; C594-L598 WeakPolarHBondContact O-CG 3.35Å; C594-L598 PolarHBondContact O-N 2.71Å
595I89.5Confident82.2Confident38 Ų3852.6 Ų52.620%0.19528%0.275CS..Hα-helixtrans-62.1-46.4179.4-67.1171.1000110.6Y488 R591 P592 F597 L598 Q599Y488-I595 HydrophobicContact CE2-CD1 4.14Å; Y488-I595 HydrophobicContact CE2-CG1 4.02Å; R591-I595 HydrophobicContact CG-CD1 3.85Å; R591-I595 HydrophobicContact CG-CG1 4.38Å; R591-I595 WeakPolarHBondContact O-CG1 3.48Å; R591-I595 PolarHBondContact O-N 3.16Å; P592-I595 PolarHBondContact O-N 2.84Å; I595-F597 VanDerWaalsContact C-N 3.35Å; I595-F597 PolarHBondContact O-N 3.2Å; I595-L598 PolarHBondContact O-N 3.05Å; I595-Q599 HydrophobicContact CG2-CG 4.42Å; I595-Q599 WeakPolarHBondContact O-CG 3.31Å; I595-Q599 PolarHBondContact O-N 2.93Å
596E88.6Confident80.5Confident56 Ų5650.5 Ų50.526%0.26228%0.276SS..Hα-helixtrans-60.4-43.4178.1-171.6-179.2-179.100112P592 C594 L598 Q599 W603P592-E596 WeakPolarHBondContact O-CB 3.32Å; P592-E596 PolarHBondContact O-N 3.32Å; C594-E596 PolarHBondContact O-N 2.92Å; E596-L598 VanDerWaalsContact C-N 3.3Å; E596-L598 PolarHBondContact O-N 3.24Å; E596-Q599 PolarHBondContact O-N 3.19Å; E596-W603 HydrophobicContact CB-CE3 4.46Å; E596-W603 HydrophobicContact CB-CZ3 4.33Å; E596-W603 HydrophobicContact CG-CE3 4.08Å; E596-W603 HydrophobicContact CG-CZ3 4.25Å
597F93.3Very high78.9Confident0 Ų048.2 Ų48.20%026%0.263CS..Hα-helixtrans-63.6-35.4176.5-176.7-96.3000112.7I507 R526 H530 F531 L534 L575 L593 C594 I595 W603I507-F597 HydrophobicContact CD1-CE1 3.82Å; I507-F597 HydrophobicContact CD1-CZ 4.36Å; R526-F597 HydrophobicContact CB-CZ 4.02Å; R526-F597 HydrophobicContact CG-CE1 4.05Å; R526-F597 HydrophobicContact CG-CE2 4.04Å; R526-F597 HydrophobicContact CG-CZ 3.67Å; R526-F597 VanDerWaalsContact CZ-O 3.23Å; R526-F597 PolarHBondContact NE-O 2.74Å; R526-F597 PolarHBondContact NH2-O 3.02Å; H530-F597 HydrophobicContact CB-CE2 3.79Å; F531-F597 HydrophobicContact CD1-CE1 4.26Å; F531-F597 AromaticContact CD1-CZ 3.85Å; F531-F597 HydrophobicContact CD1-CZ 3.85Å; F531-F597 HydrophobicContact CD2-CZ 4.13Å; F531-F597 AromaticContact CE1-CE1 3.95Å; F531-F597 HydrophobicContact CE1-CE1 3.95Å; F531-F597 AromaticContact CE1-CZ 3.84Å; F531-F597 HydrophobicContact CE1-CZ 3.84Å; F531-F597 HydrophobicContact CE2-CZ 4.11Å; F531-F597 HydrophobicContact CG-CZ 4.01Å; F531-F597 HydrophobicContact CZ-CE1 4.24Å; F531-F597 AromaticContact CZ-CZ 3.98Å; F531-F597 HydrophobicContact CZ-CZ 3.98Å; L534-F597 HydrophobicContact CB-CD2 4.01Å; L534-F597 HydrophobicContact CB-CE2 4.2Å; L534-F597 HydrophobicContact CD1-CB 4.15Å; L534-F597 HydrophobicContact CD1-CG 4.44Å; L534-F597 HydrophobicContact CD2-CB 4.11Å; L534-F597 HydrophobicContact CD2-CD1 3.8Å; L534-F597 HydrophobicContact CD2-CD2 3.82Å; L534-F597 HydrophobicContact CD2-CE1 4.1Å; L534-F597 HydrophobicContact CD2-CE2 4.11Å; L534-F597 HydrophobicContact CD2-CG 3.64Å; L534-F597 HydrophobicContact CD2-CZ 4.25Å; L534-F597 HydrophobicContact CG-CD2 4.34Å; L534-F597 HydrophobicContact CG-CG 4.44Å; L575-F597 HydrophobicContact CD2-CE1 4.25Å; L593-F597 VanDerWaalsContact O-CB 3.27Å; L593-F597 WeakPolarHBondContact O-CB 3.48Å; L593-F597 PolarHBondContact O-N 3.26Å; C594-F597 PolarHBondContact O-N 3.43Å; I595-F597 VanDerWaalsContact C-N 3.35Å; I595-F597 PolarHBondContact O-N 3.2Å; F597-W603 VanDerWaalsContact CA-CE3 3.46Å; F597-W603 HydrophobicContact CB-CD2 4.47Å; F597-W603 HydrophobicContact CB-CE3 3.81Å; F597-W603 HydrophobicContact CB-CH2 4.41Å; F597-W603 HydrophobicContact CB-CZ3 3.77Å; F597-W603 AromaticContact CD2-CD2 3.79Å; F597-W603 HydrophobicContact CD2-CD2 3.79Å; F597-W603 AromaticContact CD2-CE2 3.89Å; F597-W603 AromaticContact CD2-CE3 3.98Å; F597-W603 HydrophobicContact CD2-CE3 3.98Å; F597-W603 HydrophobicContact CD2-CG 4.28Å; F597-W603 HydrophobicContact CD2-CH2 4.29Å; F597-W603 HydrophobicContact CD2-CZ2 4.14Å; F597-W603 HydrophobicContact CD2-CZ3 4.22Å; F597-W603 HydrophobicContact CG-CE3 4.39Å
598L92.9Very high76.7Confident0 Ų050.5 Ų50.50%028%0.279CS..Hα-helixtrans-84.2-17.6-177.6-66.8177.8000113.9Y488 A490 I507 V509 W522 T524 L575 C594 I595 E596Y488-L598 HydrophobicContact CD1-CD1 4.38Å; A490-L598 HydrophobicContact CB-CD1 4.27Å; A490-L598 HydrophobicContact CB-CD2 3.62Å; I507-L598 HydrophobicContact CG2-CD2 4.35Å; V509-L598 HydrophobicContact CG1-CB 4.14Å; V509-L598 HydrophobicContact CG1-CD1 4.35Å; V509-L598 HydrophobicContact CG2-CB 4.1Å; V509-L598 HydrophobicContact CG2-CD2 3.91Å; W522-L598 PolarHBondContact NE1-O 3.03Å; T524-L598 WeakPolarHBondContact CG2-O 3.29Å; L575-L598 HydrophobicContact CD2-CD2 4.41Å; C594-L598 WeakPolarHBondContact O-CB 3.44Å; C594-L598 WeakPolarHBondContact O-CG 3.35Å; C594-L598 PolarHBondContact O-N 2.71Å; I595-L598 PolarHBondContact O-N 3.05Å; E596-L598 VanDerWaalsContact C-N 3.3Å; E596-L598 PolarHBondContact O-N 3.24Å
599Q88.3Confident74.4Confident84 Ų8454 Ų5439%0.39329%0.288SS..SBendtrans-70.4149178-82.8-174.7-7.200113.1T524 R526 I595 E596T524-Q599 PolarHBondContact OG1-O 3.11Å; T524-Q599 VanDerWaalsContact OG1-O 3.13Å; R526-Q599 PolarHBondContact NH2-O 3.33Å; I595-Q599 HydrophobicContact CG2-CG 4.42Å; I595-Q599 WeakPolarHBondContact O-CG 3.31Å; I595-Q599 PolarHBondContact O-N 2.93Å; E596-Q599 PolarHBondContact O-N 3.19Å
600P83.5Confident72.3Confident62 Ų6254 Ų5440%0.40329%0.287SS..THydrogen-bonded Turntrans-59.7136.4170.9-18.431.6000111W522 S602W522-P600 HydrophobicContact CG-CG 4.08Å; P600-S602 PolarHBondContact O-N 3.34Å
601D68.5Low70.1Confident97 Ų9756.4 Ų56.452%0.51930%0.295SS..THydrogen-bonded Turntrans52.57.8171.4-48.2-32.7000118.2R605D601-R605 VanDerWaalsContact O-CZ 3.29Å; D601-R605 PolarHBondContact O-NE 2.96Å; D601-R605 PolarHBondContact O-NH2 3.4Å
602S68.5Low67.7Low29 Ų2960.1 Ų60.120%0.20332%0.317CS..Hα-helixtrans-75.7-43.2-177.1-166.90000112.1P600 E604P600-S602 PolarHBondContact O-N 3.34Å; S602-E604 PolarHBondContact O-N 2.94Å
603W73.9Confident64.9Low0 Ų060.8 Ų60.80%032%0.32CS..Hα-helixtrans-71.3-24.8-172.5-157.9-94.6000114.7H530 E533 L534 F537 E596 F597 R611H530-W603 AromaticContact CD2-CD1 3.99Å; H530-W603 AromaticContact CG-CD1 3.82Å; E533-W603 HydrophobicContact CB-CZ2 4.3Å; E533-W603 PolarHBondContact OE2-NE1 3.33Å; L534-W603 HydrophobicContact CB-CH2 4.19Å; L534-W603 HydrophobicContact CB-CZ2 4.07Å; L534-W603 HydrophobicContact CD1-CH2 3.89Å; L534-W603 HydrophobicContact CD1-CZ3 4.44Å; F537-W603 AromaticContact CD2-CH2 3.84Å; F537-W603 HydrophobicContact CD2-CH2 3.84Å; F537-W603 AromaticContact CD2-CZ2 3.84Å; F537-W603 HydrophobicContact CD2-CZ2 3.84Å; F537-W603 HydrophobicContact CE2-CH2 4.21Å; F537-W603 AromaticContact CE2-CZ2 3.89Å; F537-W603 HydrophobicContact CE2-CZ2 3.89Å; E596-W603 HydrophobicContact CB-CE3 4.46Å; E596-W603 HydrophobicContact CB-CZ3 4.33Å; E596-W603 HydrophobicContact CG-CE3 4.08Å; E596-W603 HydrophobicContact CG-CZ3 4.25Å; F597-W603 VanDerWaalsContact CA-CE3 3.46Å; F597-W603 HydrophobicContact CB-CD2 4.47Å; F597-W603 HydrophobicContact CB-CE3 3.81Å; F597-W603 HydrophobicContact CB-CH2 4.41Å; F597-W603 HydrophobicContact CB-CZ3 3.77Å; F597-W603 AromaticContact CD2-CD2 3.79Å; F597-W603 HydrophobicContact CD2-CD2 3.79Å; F597-W603 AromaticContact CD2-CE2 3.89Å; F597-W603 AromaticContact CD2-CE3 3.98Å; F597-W603 HydrophobicContact CD2-CE3 3.98Å; F597-W603 HydrophobicContact CD2-CG 4.28Å; F597-W603 HydrophobicContact CD2-CH2 4.29Å; F597-W603 HydrophobicContact CD2-CZ2 4.14Å; F597-W603 HydrophobicContact CD2-CZ3 4.22Å; F597-W603 HydrophobicContact CG-CE3 4.39Å; W603-R611 PolarHBondContact O-NH2 3.46Å
604E63.7Low62.2Low107 Ų10761.2 Ų61.250%0.532%0.324SS..Hα-helixtrans-76.8-32-175.9-65.8-160159.800112.9S602 R611S602-E604 PolarHBondContact O-N 2.94Å; E604-R611 PolarHBondContact O-NH2 3.39Å
605R53Low59.4Low188 Ų18864.4 Ų64.471%0.70935%0.351SS*.Hα-helixtrans-86.5-33.8-174.1-66.2-173.7-72.1-112.5-1.2113.9D601D601-R605 VanDerWaalsContact O-CZ 3.29Å; D601-R605 PolarHBondContact O-NE 2.96Å; D601-R605 PolarHBondContact O-NH2 3.4Å
606G49.8Very low56.7Low54 Ų5466 Ų6656%0.55736%0.359SS*.Hα-helixtrans-85.2-18.6-168.300000117
607H50.2Low54Low37 Ų3764.8 Ų64.817%0.17135%0.354CS..  trans-123.814.3-164-85.6-66.5000116.2F537 E609 A610 R611F537-H607 AromaticContact CE2-CE1 3.62Å; F537-H607 AromaticContact CE2-CG 4Å; F537-H607 AromaticContact CE2-ND1 3.71Å; F537-H607 AromaticContact CE2-NE2 3.84Å; F537-H607 AromaticContact CZ-CE1 3.47Å; F537-H607 VanDerWaalsContact CZ-CE1 3.47Å; F537-H607 WeakPolarHBondContact CZ-CE1 3.45Å; F537-H607 AromaticContact CZ-ND1 3.38Å; F537-H607 WeakPolarHBondContact CZ-ND1 3.27Å; H607-E609 VanDerWaalsContact C-N 3.29Å; H607-E609 PolarHBondContact O-N 2.65Å; H607-A610 HydrophobicContact CB-CB 4.42Å; H607-A610 PolarHBondContact O-N 3.34Å; H607-A610 VanDerWaalsContact O-N 3.08Å; H607-R611 VanDerWaalsContact O-CG 3.28Å; H607-R611 WeakPolarHBondContact O-CG 3.29Å; H607-R611 PolarHBondContact O-N 2.91Å; H607-R611 VanDerWaalsContact O-N 3.14Å
608V40Very low51.2Low82 Ų8269.4 Ų69.450%0.49738%0.382SS..Hα-helixtrans-55.1-41.4179.3-177.80000112.5R611V608-R611 WeakPolarHBondContact O-CB 3.46Å; V608-R611 PolarHBondContact O-N 3.27Å
609E36.2Very low48.5Very low152 Ų15272.7 Ų72.771%0.7140%0.404SS*.Hα-helixtrans-66-39.4175.7-79.7178147.100113.2H607 R611 I612 V613H607-E609 VanDerWaalsContact C-N 3.29Å; H607-E609 PolarHBondContact O-N 2.65Å; E609-R611 PolarHBondContact O-N 3.03Å; E609-I612 PolarHBondContact O-N 3.31Å; E609-V613 WeakPolarHBondContact O-CG2 3.23Å
610A37.8Very low45.8Very low28 Ų2871.2 Ų71.223%0.23140%0.396CS..Hα-helixtrans-69.2-20.4178.100000113F537 H607 S614F537-A610 HydrophobicContact CE1-CB 4.26Å; F537-A610 HydrophobicContact CZ-CB 3.79Å; H607-A610 HydrophobicContact CB-CB 4.42Å; H607-A610 PolarHBondContact O-N 3.34Å; H607-A610 VanDerWaalsContact O-N 3.08Å; A610-S614 WeakPolarHBondContact O-CB 3.4Å; A610-S614 PolarHBondContact O-N 3.46Å; A610-S614 PolarHBondContact O-OG 3.33Å
611R41.1Very low43.5Very low50 Ų5071.3 Ų71.319%0.18939%0.388CS..Hα-helixtrans-69.2-42.5178.5-67.5171.7-166161.316.8112.5R529 E533 W603 E604 H607 V608 E609 V613 S614 A615R529-R611 VanDerWaalsContact NH1-CG 3.31Å; E533-R611 WeakPolarHBondContact OE1-CG 3.1Å; W603-R611 PolarHBondContact O-NH2 3.46Å; E604-R611 PolarHBondContact O-NH2 3.39Å; H607-R611 VanDerWaalsContact O-CG 3.28Å; H607-R611 WeakPolarHBondContact O-CG 3.29Å; H607-R611 PolarHBondContact O-N 2.91Å; H607-R611 VanDerWaalsContact O-N 3.14Å; V608-R611 WeakPolarHBondContact O-CB 3.46Å; V608-R611 PolarHBondContact O-N 3.27Å; E609-R611 PolarHBondContact O-N 3.03Å; R611-V613 VanDerWaalsContact C-N 3.29Å; R611-S614 PolarHBondContact O-OG 2.93Å; R611-A615 PolarHBondContact O-N 3.32Å
612I36.6Very low42.1Very low114 Ų11468 Ų6859%0.58537%0.372SS*.Hα-helixtrans-63.1-43.7176.1-63.1172.9000109E609 I616E609-I612 PolarHBondContact O-N 3.31Å; I612-I616 HydrophobicContact CG2-CD1 3.92Å; I612-I616 WeakPolarHBondContact O-CD1 3.46Å; I612-I616 VanDerWaalsContact O-CG1 3.29Å; I612-I616 WeakPolarHBondContact O-CG1 3.46Å; I612-I616 PolarHBondContact O-N 3.14Å
613V29.4Very low40.4Very low80 Ų8067.2 Ų67.249%0.48537%0.365SS..Hα-helixtrans-67.6-43.7-177.9178.20000112.3E609 R611 L617E609-V613 WeakPolarHBondContact O-CG2 3.23Å; R611-V613 VanDerWaalsContact C-N 3.29Å; V613-L617 HydrophobicContact CG1-CD1 3.35Å; V613-L617 HydrophobicContact CG1-CG 4.25Å; V613-L617 WeakPolarHBondContact O-CB 3.38Å; V613-L617 WeakPolarHBondContact O-CD1 3.39Å; V613-L617 WeakPolarHBondContact O-CG 3.2Å; V613-L617 PolarHBondContact O-N 3.3Å; V613-L617 VanDerWaalsContact O-N 3.08Å
614S31.2Very low38.4Very low23 Ų2368.1 Ų68.116%0.16137%0.372CS..Hα-helixtrans-73.7-34.5-175.868.10000115.3A610 R611 L617 T618A610-S614 WeakPolarHBondContact O-CB 3.4Å; A610-S614 PolarHBondContact O-N 3.46Å; A610-S614 PolarHBondContact O-OG 3.33Å; R611-S614 PolarHBondContact O-OG 2.93Å; S614-L617 PolarHBondContact O-N 2.84Å; S614-T618 PolarHBondContact O-N 3.48Å; S614-T618 PolarHBondContact O-OG1 3.03Å
615A32.3Very low36.9Very low72 Ų7267.9 Ų67.960%0.59537%0.374SS*.Hα-helixtrans-71.6-33.3179.700000112.2R611R611-A615 PolarHBondContact O-N 3.32Å
616I32.1Very low36.2Very low72 Ų7259.1 Ų59.137%0.36934%0.342SS..Hα-helixtrans-75.9-35.8174.1-64.2171.7000110.7I612I612-I616 HydrophobicContact CG2-CD1 3.92Å; I612-I616 WeakPolarHBondContact O-CD1 3.46Å; I612-I616 VanDerWaalsContact O-CG1 3.29Å; I612-I616 WeakPolarHBondContact O-CG1 3.46Å; I612-I616 PolarHBondContact O-N 3.14Å
617L31.1Very low35.5Very low30 Ų3057.8 Ų57.816%0.15732%0.322CS..Hα-helixtrans-84.1-20-172.2-71.9175.4000115.2V613 S614 F620 R621V613-L617 HydrophobicContact CG1-CD1 3.35Å; V613-L617 HydrophobicContact CG1-CG 4.25Å; V613-L617 WeakPolarHBondContact O-CB 3.38Å; V613-L617 WeakPolarHBondContact O-CD1 3.39Å; V613-L617 WeakPolarHBondContact O-CG 3.2Å; V613-L617 PolarHBondContact O-N 3.3Å; V613-L617 VanDerWaalsContact O-N 3.08Å; S614-L617 PolarHBondContact O-N 2.84Å; L617-F620 CarbonylContact O-C 3.59Å; L617-F620 PolarHBondContact O-N 2.96Å; L617-R621 HydrophobicContact CB-CG 3.87Å; L617-R621 VanDerWaalsContact O-CG 3.29Å; L617-R621 WeakPolarHBondContact O-CG 3.23Å; L617-R621 PolarHBondContact O-N 3.43Å
618T35.3Very low34.9Very low97 Ų9760.1 Ų60.160%0.59533%0.334SS*.THydrogen-bonded Turntrans-63-39.3-168.3-0.80000115.2S614 F620S614-T618 PolarHBondContact O-N 3.48Å; S614-T618 PolarHBondContact O-OG1 3.03Å; T618-F620 VanDerWaalsContact C-N 3.3Å
619P35.7Very low34.7Very low69 Ų6958.6 Ų58.645%0.44833%0.327SS..THydrogen-bonded Turntrans-72.6-24.1171.2-14.229000112.9
620F31Very low34.6Very low53 Ų5352.5 Ų52.523%0.23230%0.3CS..THydrogen-bonded Turntrans-113.11.5-168.1-71.5-77.8000114.9L617 T618 T622 V623 S624L617-F620 CarbonylContact O-C 3.59Å; L617-F620 PolarHBondContact O-N 2.96Å; T618-F620 VanDerWaalsContact C-N 3.3Å; F620-T622 PolarHBondContact O-N 3.26Å; F620-T622 VanDerWaalsContact O-N 3.1Å; F620-V623 HydrophobicContact CD1-CB 4.14Å; F620-V623 HydrophobicContact CD1-CG2 3.67Å; F620-V623 HydrophobicContact CE1-CG2 4.36Å; F620-V623 CarbonylContact O-C 3.56Å; F620-V623 WeakPolarHBondContact O-CA 3.22Å; F620-V623 PolarHBondContact O-N 3.33Å; F620-S624 PolarHBondContact O-N 2.93Å
621R37.2Very low34.3Very low63 Ų6354 Ų5424%0.23831%0.307CS..Hα-helixtrans-59.5-24.3173-81.9-158.1-175.5156.98.7111.2S536 N540 L617 N625S536-R621 PolarHBondContact OG-NH1 2.99Å; S536-R621 PolarHBondContact OG-NH2 3.49Å; N540-R621 PolarHBondContact ND2-NH1 3.26Å; N540-R621 PolarHBondContact OD1-NH1 3.13Å; N540-R621 VanDerWaalsContact OD1-NH1 3.11Å; L617-R621 HydrophobicContact CB-CG 3.87Å; L617-R621 VanDerWaalsContact O-CG 3.29Å; L617-R621 WeakPolarHBondContact O-CG 3.23Å; L617-R621 PolarHBondContact O-N 3.43Å; R621-N625 WeakPolarHBondContact O-CA 3.42Å; R621-N625 WeakPolarHBondContact O-CB 3.39Å; R621-N625 PolarHBondContact O-N 3.34Å; R621-N625 PolarHBondContact O-ND2 3.11Å; R621-N625 PolarHBondContact O-OD1 3.46Å
622T38.1Very low33.9Very low29 Ų2957.5 Ų57.518%0.17833%0.33CS..Hα-helixtrans-73.7-34.4172.9-50.10000112.4L56 Q72 F620 A626L56-T622 HydrophobicContact CD1-CG2 4.04Å; L56-T622 HydrophobicContact CD2-CG2 4.37Å; Q72-T622 PolarHBondContact NE2-OG1 2.68Å; Q72-T622 PolarHBondContact OE1-OG1 3.21Å; F620-T622 PolarHBondContact O-N 3.26Å; F620-T622 VanDerWaalsContact O-N 3.1Å; T622-A626 VanDerWaalsContact O-CB 3.31Å; T622-A626 WeakPolarHBondContact O-CB 3.41Å; T622-A626 PolarHBondContact O-N 3.31Å
623V31.9Very low33.9Very low11 Ų1157.5 Ų57.57%0.06734%0.335CS..Hα-helixtrans-77.3-36.7173.8-170.10000111.1L76 F620 A626 M627L76-V623 HydrophobicContact CD2-CB 4.39Å; L76-V623 HydrophobicContact CD2-CG1 4.28Å; L76-V623 HydrophobicContact CD2-CG2 3.69Å; L76-V623 HydrophobicContact CG-CG2 4.23Å; F620-V623 HydrophobicContact CD1-CB 4.14Å; F620-V623 HydrophobicContact CD1-CG2 3.67Å; F620-V623 HydrophobicContact CE1-CG2 4.36Å; F620-V623 CarbonylContact O-C 3.56Å; F620-V623 WeakPolarHBondContact O-CA 3.22Å; F620-V623 PolarHBondContact O-N 3.33Å; V623-A626 WeakPolarHBondContact O-CA 3.44Å; V623-A626 VanDerWaalsContact O-CB 3.31Å; V623-A626 WeakPolarHBondContact O-CB 3.37Å; V623-A626 PolarHBondContact O-N 3.25Å; V623-M627 PolarHBondContact O-N 3.09Å
624S33.7Very low33.8Very low19 Ų1955.2 Ų55.213%0.13332%0.32CS..Hα-helixtrans-65.7-46.2171.4-177.40000110.3F620 A626 M627 M628F620-S624 PolarHBondContact O-N 2.93Å; S624-A626 PolarHBondContact O-N 3Å; S624-M627 CarbonylContact O-C 3.59Å; S624-M627 PolarHBondContact O-N 3.45Å; S624-M628 WeakPolarHBondContact O-CB 3.49Å; S624-M628 WeakPolarHBondContact O-CG 3.08Å; S624-M628 PolarHBondContact O-N 3.31Å
625N30.8Very low33.9Very low102 Ų10255.2 Ų55.255%0.54532%0.321SS..Hα-helixtrans-60.4-31.1171.5-70.2-11000111.8R621 M627 S629R621-N625 WeakPolarHBondContact O-CA 3.42Å; R621-N625 WeakPolarHBondContact O-CB 3.39Å; R621-N625 PolarHBondContact O-N 3.34Å; R621-N625 PolarHBondContact O-ND2 3.11Å; R621-N625 PolarHBondContact O-OD1 3.46Å; N625-M627 VanDerWaalsContact C-N 3.34Å; N625-S629 PolarHBondContact O-N 3.14Å
626A39Very low33.9Very low5 Ų555.9 Ų55.94%0.04132%0.315CS..Hα-helixtrans-68.1-33.4174.900000113.9Q48 F52 T622 V623 S624 S629Q48-A626 PolarHBondContact NE2-O 3.39Å; F52-A626 HydrophobicContact CB-CB 4.36Å; F52-A626 HydrophobicContact CD1-CB 3.98Å; F52-A626 HydrophobicContact CD2-CB 3.25Å; F52-A626 HydrophobicContact CE1-CB 4.11Å; F52-A626 HydrophobicContact CE2-CB 3.42Å; F52-A626 VanDerWaalsContact CE2-CB 3.42Å; F52-A626 VanDerWaalsContact CE2-O 3.31Å; F52-A626 WeakPolarHBondContact CE2-O 3.48Å; F52-A626 HydrophobicContact CG-CB 3.58Å; F52-A626 HydrophobicContact CZ-CB 3.88Å; T622-A626 VanDerWaalsContact O-CB 3.31Å; T622-A626 WeakPolarHBondContact O-CB 3.41Å; T622-A626 PolarHBondContact O-N 3.31Å; V623-A626 WeakPolarHBondContact O-CA 3.44Å; V623-A626 VanDerWaalsContact O-CB 3.31Å; V623-A626 WeakPolarHBondContact O-CB 3.37Å; V623-A626 PolarHBondContact O-N 3.25Å; S624-A626 PolarHBondContact O-N 3Å; A626-S629 PolarHBondContact O-OG 2.9Å
627M34.8Very low33.8Very low26 Ų2653.6 Ų53.613%0.12831%0.309CS..Hα-helixtrans-87.4-28175.3-154.6-172.3178.200112.7Y24 F29 V623 S624 N625 S629 V630 V791 L792Y24-M627 HydrophobicContact CE2-SD 3.99Å; F29-M627 HydrophobicContact CD2-CE 4.3Å; F29-M627 HydrophobicContact CD2-SD 3.89Å; F29-M627 HydrophobicContact CE2-CE 3.84Å; F29-M627 HydrophobicContact CE2-SD 3.55Å; F29-M627 VanDerWaalsContact CE2-SD 3.55Å; F29-M627 HydrophobicContact CZ-SD 4.37Å; V623-M627 PolarHBondContact O-N 3.09Å; S624-M627 CarbonylContact O-C 3.59Å; S624-M627 PolarHBondContact O-N 3.45Å; N625-M627 VanDerWaalsContact C-N 3.34Å; M627-S629 VanDerWaalsContact C-N 3.25Å; M627-S629 PolarHBondContact O-N 3.06Å; M627-V630 VanDerWaalsContact O-CG2 3.31Å; M627-V630 WeakPolarHBondContact O-CG2 3.33Å; M627-V791 HydrophobicContact CE-CB 4.17Å; M627-V791 HydrophobicContact CE-CG1 4.08Å; M627-L792 HydrophobicContact CE-CB 3.62Å; M627-L792 HydrophobicContact CE-CD1 4.07Å; M627-L792 HydrophobicContact CE-CG 4.41Å; M627-L792 HydrophobicContact SD-CD1 4.33Å
628M37.6Very low33.6Very low86 Ų8653.4 Ų53.442%0.42431%0.308SS..  trans-77.4-1.6-179.2-72.8-66.1-133.600113.8S624 V630S624-M628 WeakPolarHBondContact O-CB 3.49Å; S624-M628 WeakPolarHBondContact O-CG 3.08Å; S624-M628 PolarHBondContact O-N 3.31Å; M628-V630 PolarHBondContact O-N 3.12Å
629S36.6Very low33.4Very low50 Ų5053.3 Ų53.335%0.3530%0.304SS..  trans-72.845.8163.471.50000111.5Q48 N625 A626 M627 P631 R788Q48-S629 PolarHBondContact NE2-OG 2.78Å; N625-S629 PolarHBondContact O-N 3.14Å; A626-S629 PolarHBondContact O-OG 2.9Å; M627-S629 VanDerWaalsContact C-N 3.25Å; M627-S629 PolarHBondContact O-N 3.06Å; S629-P631 WeakPolarHBondContact O-CD 3.48Å; S629-R788 PolarHBondContact O-NH1 3.36Å
630V34.4Very low33.2Very low23 Ų2356.5 Ų56.514%0.13931%0.311CS..  trans-78.6121.7164.4-173.60000105.6M627 M628 L634 M785M627-V630 VanDerWaalsContact O-CG2 3.31Å; M627-V630 WeakPolarHBondContact O-CG2 3.33Å; M628-V630 PolarHBondContact O-N 3.12Å; V630-L634 HydrophobicContact CG1-CB 3.68Å; V630-L634 HydrophobicContact CG1-CD1 3.43Å; V630-L634 VanDerWaalsContact CG1-CD1 3.43Å; V630-L634 HydrophobicContact CG1-CG 4.22Å; V630-M785 HydrophobicContact CB-CE 4.46Å; V630-M785 HydrophobicContact CG1-CE 3.36Å
631P30.5Very low33.2Very low59 Ų5956.8 Ų56.838%0.38331%0.314SS..  trans-39.1147.1178-38.127.4000117S629 T633 L634 M785S629-P631 WeakPolarHBondContact O-CD 3.48Å; P631-T633 PolarHBondContact O-N 3.01Å; P631-L634 PolarHBondContact O-N 2.85Å; P631-M785 HydrophobicContact CB-CE 3.57Å; P631-M785 HydrophobicContact CB-SD 4.05Å; P631-M785 HydrophobicContact CG-CE 3.47Å; P631-M785 VanDerWaalsContact CG-CE 3.47Å; P631-M785 HydrophobicContact CG-CG 4.43Å; P631-M785 HydrophobicContact CG-SD 3.48Å; P631-M785 WeakPolarHBondContact CG-SD 3.37Å
632D31.9Very low32.9Very low125 Ų12559 Ų5967%0.66833%0.326SS*.Hα-helixtrans-45.5-27.4-163-55.3-35.5000115.5L634 D636D632-L634 PolarHBondContact O-N 2.82Å; D632-D636 WeakPolarHBondContact O-CA 3.33Å; D632-D636 WeakPolarHBondContact O-CB 3.31Å; D632-D636 PolarHBondContact O-N 2.89Å
633T38.1Very low32.4Very low114 Ų11460.4 Ų60.470%0.69934%0.34SS*.Hα-helixtrans-68.2-30.9179.655.20000114.4P631 G637P631-T633 PolarHBondContact O-N 3.01Å; T633-G637 PolarHBondContact O-N 3.37Å
634L27.1Very low32Very low31 Ų3166.1 Ų66.116%0.16237%0.37CS..Hα-helixtrans-94.2-36.1174.5-79.2170.2000111.8R13 V630 P631 D632 D636 G637 L638 M785R13-L634 HydrophobicContact CG-CD1 4.17Å; V630-L634 HydrophobicContact CG1-CB 3.68Å; V630-L634 HydrophobicContact CG1-CD1 3.43Å; V630-L634 VanDerWaalsContact CG1-CD1 3.43Å; V630-L634 HydrophobicContact CG1-CG 4.22Å; P631-L634 PolarHBondContact O-N 2.85Å; D632-L634 PolarHBondContact O-N 2.82Å; L634-D636 VanDerWaalsContact C-N 3.27Å; L634-D636 PolarHBondContact O-N 2.85Å; L634-G637 PolarHBondContact O-N 2.94Å; L634-L638 WeakPolarHBondContact O-CB 3.41Å; L634-L638 VanDerWaalsContact O-CG 3.32Å; L634-L638 WeakPolarHBondContact O-CG 3.4Å; L634-L638 PolarHBondContact O-N 3.26Å; L634-M785 HydrophobicContact CD1-CE 4.22Å
635A33.9Very low31.6Very low23 Ų2373.4 Ų73.419%0.1940%0.4CS..Hα-helixtrans-62.8-37.2172.100000110.6N639A635-N639 WeakPolarHBondContact O-CA 3.48Å; A635-N639 WeakPolarHBondContact O-CB 3.27Å; A635-N639 PolarHBondContact O-N 2.8Å; A635-N639 PolarHBondContact O-ND2 3.06Å
636D31.4Very low31.3Very low86 Ų8672.9 Ų72.946%0.4640%0.397SS..Hα-helixtrans-70.9-34.7171.2-75.3-18000112.3D632 L634 K640D632-D636 WeakPolarHBondContact O-CA 3.33Å; D632-D636 WeakPolarHBondContact O-CB 3.31Å; D632-D636 PolarHBondContact O-N 2.89Å; L634-D636 VanDerWaalsContact C-N 3.27Å; L634-D636 PolarHBondContact O-N 2.85Å; D636-K640 WeakPolarHBondContact O-CA 3.47Å; D636-K640 WeakPolarHBondContact O-CB 3.28Å; D636-K640 WeakPolarHBondContact O-CG 3.5Å; D636-K640 PolarHBondContact O-N 3.13Å
637G29.6Very low30.7Very low24 Ų2481.6 Ų81.625%0.24743%0.434CS..Hα-helixtrans-64-49.217400000111.4T633 L634 K640 I641T633-G637 PolarHBondContact O-N 3.37Å; L634-G637 PolarHBondContact O-N 2.94Å; G637-K640 PolarHBondContact O-N 2.77Å; G637-I641 WeakPolarHBondContact O-CB 3.47Å; G637-I641 WeakPolarHBondContact O-CD1 3.27Å; G637-I641 WeakPolarHBondContact O-CG1 3.38Å; G637-I641 PolarHBondContact O-N 3.22Å
638L27.8Very low30.2Very low26 Ų2686.6 Ų86.614%0.13647%0.468CS..Hα-helixtrans-68.9-46177.1-68.5172.1000111L634 K640 I641 F642L634-L638 WeakPolarHBondContact O-CB 3.41Å; L634-L638 VanDerWaalsContact O-CG 3.32Å; L634-L638 WeakPolarHBondContact O-CG 3.4Å; L634-L638 PolarHBondContact O-N 3.26Å; L638-K640 VanDerWaalsContact C-N 3.33Å; L638-K640 PolarHBondContact O-N 2.73Å; L638-I641 CarbonylContact O-C 3.42Å; L638-I641 PolarHBondContact O-N 2.77Å; L638-F642 HydrophobicContact CB-CD2 4.11Å; L638-F642 HydrophobicContact CB-CE2 4.05Å; L638-F642 HydrophobicContact CD2-CE2 4.24Å; L638-F642 WeakPolarHBondContact O-CB 3.47Å; L638-F642 WeakPolarHBondContact O-CD2 3.39Å; L638-F642 WeakPolarHBondContact O-CG 3.46Å; L638-F642 PolarHBondContact O-N 3.49Å
639N29.9Very low29.5Very low96 Ų9688.5 Ų88.551%0.51349%0.485SS..Hα-helixtrans-64.3-36.2175.2-74.2-25.8000111.5A635 A643A635-N639 WeakPolarHBondContact O-CA 3.48Å; A635-N639 WeakPolarHBondContact O-CB 3.27Å; A635-N639 PolarHBondContact O-N 2.8Å; A635-N639 PolarHBondContact O-ND2 3.06Å; N639-A643 WeakPolarHBondContact O-CA 3.17Å; N639-A643 WeakPolarHBondContact O-CB 3.45Å; N639-A643 PolarHBondContact O-N 3.5Å
640K31.7Very low28.8Very low135 Ų13590.9 Ų90.959%0.58750%0.501SS*.Hα-helixtrans-66.3-37.2170.1-79.4172.6179.4173.40110.8D636 G637 L638 N644D636-K640 WeakPolarHBondContact O-CA 3.47Å; D636-K640 WeakPolarHBondContact O-CB 3.28Å; D636-K640 WeakPolarHBondContact O-CG 3.5Å; D636-K640 PolarHBondContact O-N 3.13Å; G637-K640 PolarHBondContact O-N 2.77Å; L638-K640 VanDerWaalsContact C-N 3.33Å; L638-K640 PolarHBondContact O-N 2.73Å; K640-N644 WeakPolarHBondContact O-CA 3.31Å; K640-N644 WeakPolarHBondContact O-CB 3.23Å; K640-N644 PolarHBondContact O-N 2.93Å
641I32.5Very low28.3Very low60 Ų6097.2 Ų97.231%0.30854%0.535SS..Hα-helixtrans-72.7-41.5178.9-69.3158.5000111.4W17 G637 L638W17-I641 HydrophobicContact CZ2-CD1 4.24Å; G637-I641 WeakPolarHBondContact O-CB 3.47Å; G637-I641 WeakPolarHBondContact O-CD1 3.27Å; G637-I641 WeakPolarHBondContact O-CG1 3.38Å; G637-I641 PolarHBondContact O-N 3.22Å; L638-I641 CarbonylContact O-C 3.42Å; L638-I641 PolarHBondContact O-N 2.77Å
642F30.5Very low28.1Very low110 Ų11099 Ų9948%0.48255%0.549SS..Hα-helixtrans-69.4-33.9174-71-62.9000112.5L638L638-F642 HydrophobicContact CB-CD2 4.11Å; L638-F642 HydrophobicContact CB-CE2 4.05Å; L638-F642 HydrophobicContact CD2-CE2 4.24Å; L638-F642 WeakPolarHBondContact O-CB 3.47Å; L638-F642 WeakPolarHBondContact O-CD2 3.39Å; L638-F642 WeakPolarHBondContact O-CG 3.46Å; L638-F642 PolarHBondContact O-N 3.49Å
643A27.8Very low28Very low57 Ų5799.6 Ų99.647%0.47156%0.559SS.*Hα-helixtrans-86.5-22.6177.200000113.5N639 K645 N646N639-A643 WeakPolarHBondContact O-CA 3.17Å; N639-A643 WeakPolarHBondContact O-CB 3.45Å; N639-A643 PolarHBondContact O-N 3.5Å; A643-K645 PolarHBondContact O-N 3.26Å; A643-N646 PolarHBondContact O-N 2.9Å; A643-N646 PolarHBondContact O-ND2 3.29Å
644N23.1Very low27.4Very low132 Ų132101.6 Ų101.671%0.70656%0.564SS**  trans-90.319.6-178.6-149.859.4000112.9K640 N646K640-N644 WeakPolarHBondContact O-CA 3.31Å; K640-N644 WeakPolarHBondContact O-CB 3.23Å; K640-N644 PolarHBondContact O-N 2.93Å; N644-N646 PolarHBondContact O-N 2.86Å
645K23.9Very low27.3Very low172 Ų172108 Ų10875%0.74860%0.597SS**  trans-78.546.5143.1-90.7-173.9177175.30110.5A643A643-K645 PolarHBondContact O-N 3.26Å
646N25.2Very low26.8Very low91 Ų91112.9 Ų112.949%0.48763%0.63SS.*  trans-98.6112.7160.9-77.7-28.3000107.2R541 A643 N644R541-N646 PolarHBondContact NH2-OD1 3.45Å; R541-N646 VanDerWaalsContact NH2-OD1 3.14Å; A643-N646 PolarHBondContact O-N 2.9Å; A643-N646 PolarHBondContact O-ND2 3.29Å; N644-N646 PolarHBondContact O-N 2.86Å
647F26.9Very low26.5Very low187 Ų187119 Ų11982%0.8265%0.647SS**  trans-37.8137.9157-97.6-100.5000110.2T649F647-T649 VanDerWaalsContact C-N 3.32Å; F647-T649 PolarHBondContact O-N 3.42Å
648P23.7Very low26.3Very low131 Ų131124.4 Ų124.485%0.85167%0.67SS**  trans-64.293.7176.125.6-31.5000109.7S650P648-S650 PolarHBondContact O-N 2.96Å
649T22.3Very low26.4Very low127 Ų127131.2 Ų131.278%0.77971%0.707SS**  trans-81.2102.9158.955.60000106.7F647 N651F647-T649 VanDerWaalsContact C-N 3.32Å; F647-T649 PolarHBondContact O-N 3.42Å; T649-N651 PolarHBondContact O-N 3.36Å
650S23.5Very low26.3Very low99 Ų99135.9 Ų135.969%0.69273%0.726SS**SBendtrans16.8104.9147.4174.10000115.2P648P648-S650 PolarHBondContact O-N 2.96Å
651N23.8Very low25.9Very low156 Ų156138 Ų13883%0.83474%0.739SS**  -179.367.5128-84.6-8.5000109.9T649T649-N651 PolarHBondContact O-N 3.36Å
652S26.2Very low25.6Very low97 Ų97144.3 Ų144.368%0.67877%0.77SS**SBendtrans-151.1130.6152.8420000108.2I654S652-I654 PolarHBondContact O-N 3.12Å; S652-I654 VanDerWaalsContact O-N 3.13Å
653P29.6Very low25.4Very low137 Ų137148.7 Ų148.789%0.8979%0.789SS**  trans-80.1104.4-16330.9-31.9000109.7
654I25.7Very low25.2Very low157 Ų157155.3 Ų155.381%0.80581%0.807SS**  trans-104.5120.7169.6-60.7177.4000107.6S652 S656S652-I654 PolarHBondContact O-N 3.12Å; S652-I654 VanDerWaalsContact O-N 3.13Å; I654-S656 PolarHBondContact O-N 2.93Å
655L24Very low25.2Very low164 Ų164154.2 Ų154.286%0.85981%0.81SS**  trans-31.1123.1174.2-69.9155.1000113.4R657L655-R657 PolarHBondContact O-N 3.33Å; L655-R657 VanDerWaalsContact O-N 3.15Å
656S22.9Very low25.5Very low126 Ų126151.2 Ų151.288%0.88181%0.811SS**  trans-48.9115.3162.9-69.20000110.9I654I654-S656 PolarHBondContact O-N 2.93Å
657R25.3Very low25.4Very low214 Ų214156 Ų15681%0.80883%0.83SS**  trans-162.8125.5140.5-154137.769.284.12.3111.2L655L655-R657 PolarHBondContact O-N 3.33Å; L655-R657 VanDerWaalsContact O-N 3.15Å
658N26.4Very low25.4Very low138 Ų138154.9 Ų154.974%0.73883%0.825SS**  trans91.479.4164.4-56.3-6.3000117.1
659D30.2Very low25.4Very low170 Ų170157.1 Ų157.191%0.90982%0.824SS**  trans-99.625.7170.1-135.8-8.4000112.6
660E26.4Very low25.9Very low194 Ų194158.2 Ų158.291%0.90782%0.824SS**  trans-125.126.4-176.1-78.3-156.8140.900115.3
661M24.8Very low26.2Very low178 Ų178161.6 Ų161.688%0.87783%0.829SS**SBendtrans-130.730.4176.1-119.9168.890.100115.5
662M25.2Very low26.5Very low193 Ų193161.9 Ų161.995%0.95183%0.826SS**SBendtrans-125.527.5174.8-83.3-66.8-151.700114
663K26.4Very low26.7Very low202 Ų202161.3 Ų161.388%0.87882%0.822SS**SBendtrans-134.851.7175.6-136178.7-171.5179.10112.5
664K23.6Very low26.8Very low196 Ų196161.1 Ų161.185%0.85281%0.812SS**  trans174.189.2157.2-103.4173.5178.9-174.20109.2
665S24.3Very low26.8Very low110 Ų110160 Ų16077%0.76981%0.808SS**  trans-157.948.5161.3-60.20000109.2
666S28.3Very low27Very low109 Ų109159.1 Ų159.176%0.76280%0.801SS**SBendtrans-82.3132.2142.3560000105
667E24Very low27.3Very low191 Ų191157.8 Ų157.889%0.89379%0.792SS**  trans8170176.8-131.5147.3-145.800114.3
668F27.2Very low27.6Very low164 Ų164155.1 Ų155.172%0.71979%0.793SS**  trans-93.5105.8160.8-162.4-95.5000107.4L670F668-L670 PolarHBondContact O-N 2.94Å
669E24.2Very low27.5Very low178 Ų178154.9 Ų154.983%0.83279%0.788SS**  trans-53.2105.1170.5-73.3169.7145.400109.6Q671E669-Q671 PolarHBondContact O-N 3.42Å
670L31.6Very low27.3Very low149 Ų149151.2 Ų151.278%0.7878%0.775SS**  trans-76.187.8168.4-76.5164.8000108.1F668F668-L670 PolarHBondContact O-N 2.94Å
671Q31.2Very low27.4Very low170 Ų170147.2 Ų147.279%0.79477%0.769SS**SBendtrans-151.5-2.4164-154.954.221.200118.1E669E669-Q671 PolarHBondContact O-N 3.42Å
672E30.3Very low27.5Very low162 Ų162147.6 Ų147.676%0.75777%0.765SS**SBendtrans-138.2-7.1-173-144.6170.1-179.800118.8
673S29.1Very low27.5Very low85 Ų85143.4 Ų143.459%0.59476%0.755SS**SBendtrans-92.2-6.3-175.469.40000116.1
674L32.2Very low27.4Very low133 Ų133139 Ų13970%0.69675%0.75SS**SBendtrans-99.8-24.7-177.5-78.5163.9000114.1
675D26.2Very low27.6Very low134 Ų134136.5 Ų136.572%0.71775%0.746SS**THydrogen-bonded Turntrans-77.4-23.4179.6-74.4-17.1000113.1S677D675-S677 PolarHBondContact O-N 3.38Å
676M26.4Very low27.6Very low145 Ų145136.6 Ų136.671%0.71475%0.746SS**Hα-helixtrans-75.6-17.3179.7-75.6-158.7-65.300114.9
677S29.2Very low28Very low99 Ų99138.2 Ų138.269%0.69274%0.737SS**Hα-helixtrans-88.3-10.7-178.6-65.70000114.1D675D675-S677 PolarHBondContact O-N 3.38Å
678L31.4Very low28Very low158 Ų158135.7 Ų135.783%0.82773%0.73SS**Hα-helixtrans-98.5-16.7-174.1-125.9125.5000114.5
679E25.5Very low28.4Very low133 Ų133137.9 Ų137.962%0.62174%0.735SS**Hα-helixtrans-105.6-16.5179.1-83-82.2142.300114.3S681 K682E679-S681 PolarHBondContact O-N 2.88Å; E679-K682 IonicContact OE2-NZ 3.8Å
680S26.6Very low28.7Very low92 Ų92136 Ų13664%0.64373%0.731SS**  trans-93.859.7179.974.60000113
681S27.4Very low29.1Very low111 Ų111132.6 Ų132.678%0.77672%0.716SS**  trans-149.952.3160.3-76.40000110E679 S683E679-S681 PolarHBondContact O-N 2.88Å; S681-S683 VanDerWaalsContact C-N 3.33Å; S681-S683 PolarHBondContact O-N 3.48Å
682K27.2Very low29.6Very low185 Ų185135.5 Ų135.580%0.80472%0.719SS**  trans-78.684.7160.3-74.1176.4-178.8160.80108.8E679E679-K682 IonicContact OE2-NZ 3.8Å
683S25.8Very low30.5Very low105 Ų105134.3 Ų134.373%0.73472%0.718SS**  trans-142.1103.6159.262.20000108.3S681S681-S683 VanDerWaalsContact C-N 3.33Å; S681-S683 PolarHBondContact O-N 3.48Å
684S24.3Very low32Very low111 Ų111134.9 Ų134.978%0.77671%0.712SS**  trans-18.4119.8162.1-179.70000115.1
685D27.7Very low34.2Very low143 Ų143130.8 Ų130.877%0.76569%0.692SS**  trans-157.9120.8131.5-94.4-22.7000109.5Y687D685-Y687 PolarHBondContact O-N 3.16Å; D685-Y687 VanDerWaalsContact O-N 3.17Å
686S24.9Very low36.8Very low111 Ų111126.5 Ų126.578%0.77667%0.672SS**  trans-62.6104.4-177.8178.90000111.3
687Y34.9Very low39.4Very low143 Ų143119.6 Ų119.656%0.56164%0.638SS**  trans-136105.8150.2-74.7-77.4000107.7D685 Y689D685-Y687 PolarHBondContact O-N 3.16Å; D685-Y687 VanDerWaalsContact O-N 3.17Å; Y687-Y689 VanDerWaalsContact C-N 3.25Å; Y687-Y689 PolarHBondContact O-N 2.92Å
688D25.1Very low41.9Very low139 Ų139117.9 Ų117.974%0.74362%0.619SS**  trans-66.281.3172.8-17518.1000109.6
689Y35.2Very low44.4Very low209 Ų209114.6 Ų114.682%0.8260%0.601SS**  trans-112.3109.2148.7-97.6-82.4000105.9Y687 V691Y687-Y689 VanDerWaalsContact C-N 3.25Å; Y687-Y689 PolarHBondContact O-N 2.92Å; Y689-V691 PolarHBondContact O-N 3.02Å
690N30.5Very low47.2Very low140 Ų140111.8 Ų111.875%0.74959%0.59SS**  trans-68.753.6-176.5-148-9.2000112.1
691V40.7Very low49.7Very low77 Ų77108 Ų10847%0.46756%0.562SS.*  trans-107.317.5-177.7-168.80000110.4Y689 D693 E694Y689-V691 PolarHBondContact O-N 3.02Å; V691-D693 PolarHBondContact O-N 3.33Å; V691-E694 HydrophobicContact CG1-CB 4.08Å; V691-E694 HydrophobicContact CG1-CG 4.33Å
692R41.3Very low52.4Low230 Ų230107.2 Ų107.287%0.86855%0.548SS*.THydrogen-bonded Turntrans-71.1-16.4-177.8-145172.3-169.2-117.8-2.8113
693D48.4Very low55.2Low138 Ų138103.1 Ų103.174%0.73854%0.535SS*.THydrogen-bonded Turntrans-1151.4-176-65.6-23.1000114.8V691 T695 Q698V691-D693 PolarHBondContact O-N 3.33Å; D693-T695 PolarHBondContact O-N 2.91Å; D693-Q698 PolarHBondContact O-OE1 3.43Å; D693-Q698 VanDerWaalsContact O-OE1 3.13Å
694E61.4Low57.9Low97 Ų9798.9 Ų98.945%0.45350%0.504SS..  trans-80.792.6177.6-67.5-169.9-179.200110.9V691 I699V691-E694 HydrophobicContact CG1-CB 4.08Å; V691-E694 HydrophobicContact CG1-CG 4.33Å; E694-I699 HydrophobicContact CB-CG1 4.48Å
695T78.3Confident60.5Low46 Ų4694.4 Ų94.428%0.28247%0.472SS..  trans-57.9143.1172.1570000110.7D693 I697 Q698 I699D693-T695 PolarHBondContact O-N 2.91Å; T695-I697 PolarHBondContact O-N 3.4Å; T695-I697 WeakPolarHBondContact OG1-CG2 3.35Å; T695-Q698 WeakPolarHBondContact O-CB 3.39Å; T695-Q698 PolarHBondContact O-N 3.03Å; T695-Q698 VanDerWaalsContact OG1-CD 3.24Å; T695-Q698 WeakPolarHBondContact OG1-CG 3.27Å; T695-Q698 PolarHBondContact OG1-OE1 3.11Å; T695-I699 PolarHBondContact O-N 3.49Å
696P81.6Confident63.2Low45 Ų4595 Ų9529%0.29247%0.47SS..Hα-helixtrans-51.3-32.7-179.6-29.333.8000114.5I699 L700 N738 I741 I742P696-I699 PolarHBondContact O-N 2.87Å; P696-L700 PolarHBondContact O-N 3.08Å; P696-L700 VanDerWaalsContact O-N 3.07Å; P696-N738 WeakPolarHBondContact CD-OD1 3.46Å; P696-I741 HydrophobicContact CB-CB 4.26Å; P696-I741 HydrophobicContact CB-CD1 4.13Å; P696-I741 HydrophobicContact CB-CG2 3.78Å; P696-I742 HydrophobicContact CG-CG1 4.34Å
697I80.4Confident66.1Low0 Ų091.6 Ų91.60%044%0.442CS..Hα-helixtrans-66.4-34.3175.6-162.8173.2000113.4T695 L700 F701 F729 Q730 V737 N738 I741T695-I697 PolarHBondContact O-N 3.4Å; T695-I697 WeakPolarHBondContact OG1-CG2 3.35Å; I697-L700 WeakPolarHBondContact O-CB 3.29Å; I697-L700 PolarHBondContact O-N 3.36Å; I697-F701 HydrophobicContact CD1-CE2 3.97Å; I697-F701 HydrophobicContact CG1-CD2 3.93Å; I697-F701 HydrophobicContact CG1-CE2 3.64Å; I697-F701 WeakPolarHBondContact O-CD2 3.31Å; I697-F701 PolarHBondContact O-N 3.38Å; I697-F729 HydrophobicContact CD1-CD1 3.73Å; I697-F729 HydrophobicContact CD1-CE1 3.9Å; I697-Q730 HydrophobicContact CG2-CG 4.45Å; I697-V737 HydrophobicContact CD1-CB 3.81Å; I697-V737 HydrophobicContact CD1-CG1 3.75Å; I697-V737 HydrophobicContact CG1-CG1 3.96Å; I697-N738 VanDerWaalsContact CB-OD1 3.24Å; I697-N738 WeakPolarHBondContact CB-OD1 3.4Å; I697-N738 VanDerWaalsContact CG2-OD1 3.32Å; I697-N738 WeakPolarHBondContact CG2-OD1 3.48Å; I697-N738 PolarHBondContact N-OD1 3Å; I697-I741 HydrophobicContact CB-CD1 4.42Å
698Q81.3Confident68.3Low63 Ų6385.3 Ų85.329%0.29442%0.418SS..Hα-helixtrans-65.7-40.9175-76.9163.7-36.500110.9D693 T695 L700 F701 L702 Q730D693-Q698 PolarHBondContact O-OE1 3.43Å; D693-Q698 VanDerWaalsContact O-OE1 3.13Å; T695-Q698 WeakPolarHBondContact O-CB 3.39Å; T695-Q698 PolarHBondContact O-N 3.03Å; T695-Q698 VanDerWaalsContact OG1-CD 3.24Å; T695-Q698 WeakPolarHBondContact OG1-CG 3.27Å; T695-Q698 PolarHBondContact OG1-OE1 3.11Å; Q698-L700 VanDerWaalsContact C-N 3.33Å; Q698-L700 PolarHBondContact O-N 3.19Å; Q698-F701 PolarHBondContact O-N 2.98Å; Q698-F701 VanDerWaalsContact O-N 3.16Å; Q698-L702 WeakPolarHBondContact O-CG 3.37Å; Q698-L702 PolarHBondContact O-N 2.99Å; Q698-Q730 VanDerWaalsContact NE2-NE2 3.13Å
699I84.1Confident70.6Confident89 Ų8980.8 Ų80.846%0.45639%0.394SS..Hα-helixtrans-62.1-43.2174.7-60.1172.4000110.4E694 T695 P696 F701 L702 L703E694-I699 HydrophobicContact CB-CG1 4.48Å; T695-I699 PolarHBondContact O-N 3.49Å; P696-I699 PolarHBondContact O-N 2.87Å; I699-F701 VanDerWaalsContact C-N 3.3Å; I699-F701 PolarHBondContact O-N 3.42Å; I699-L702 PolarHBondContact O-N 3.43Å; I699-L703 PolarHBondContact O-N 2.79Å
700L83.6Confident72.3Confident73 Ų7371.1 Ų71.138%0.38236%0.357SS..Hα-helixtrans-59.2-42.4174.2178.963.9000111.5P696 I697 Q698 L703 V704 I741P696-L700 PolarHBondContact O-N 3.08Å; P696-L700 VanDerWaalsContact O-N 3.07Å; I697-L700 WeakPolarHBondContact O-CB 3.29Å; I697-L700 PolarHBondContact O-N 3.36Å; Q698-L700 VanDerWaalsContact C-N 3.33Å; Q698-L700 PolarHBondContact O-N 3.19Å; L700-L703 WeakPolarHBondContact O-CB 3.4Å; L700-L703 PolarHBondContact O-N 3.35Å; L700-V704 HydrophobicContact CD1-CG2 4.34Å; L700-V704 HydrophobicContact CG-CG2 4.48Å; L700-V704 VanDerWaalsContact O-CG2 3.32Å; L700-V704 WeakPolarHBondContact O-CG2 3.42Å; L700-V704 PolarHBondContact O-N 2.93Å; L700-I741 HydrophobicContact CD2-CD1 4.15Å
701F80.5Confident73.7Confident13 Ų1369.9 Ų69.96%0.05735%0.346CS..Hα-helixtrans-65.7-40.1177.6-83.5-58.6000113.2I697 Q698 I699 L703 V704 D705 F722 R726 F729I697-F701 HydrophobicContact CD1-CE2 3.97Å; I697-F701 HydrophobicContact CG1-CD2 3.93Å; I697-F701 HydrophobicContact CG1-CE2 3.64Å; I697-F701 WeakPolarHBondContact O-CD2 3.31Å; I697-F701 PolarHBondContact O-N 3.38Å; Q698-F701 PolarHBondContact O-N 2.98Å; Q698-F701 VanDerWaalsContact O-N 3.16Å; I699-F701 VanDerWaalsContact C-N 3.3Å; I699-F701 PolarHBondContact O-N 3.42Å; F701-L703 VanDerWaalsContact C-N 3.28Å; F701-L703 PolarHBondContact O-N 2.9Å; F701-V704 PolarHBondContact O-N 3.29Å; F701-D705 VanDerWaalsContact O-CB 3.29Å; F701-D705 WeakPolarHBondContact O-CB 3.45Å; F701-D705 PolarHBondContact O-N 3.48Å; F701-F722 HydrophobicContact CD1-CE1 4.15Å; F701-F722 HydrophobicContact CD1-CE2 4.04Å; F701-F722 AromaticContact CD1-CZ 3.51Å; F701-F722 HydrophobicContact CD1-CZ 3.51Å; F701-F722 HydrophobicContact CE1-CE2 4.17Å; F701-F722 HydrophobicContact CE1-CZ 4.11Å; F701-R726 HydrophobicContact CB-CG 4.26Å; F701-R726 HydrophobicContact CD1-CB 4.2Å; F701-R726 HydrophobicContact CD1-CG 4.12Å; F701-R726 HydrophobicContact CD2-CG 3.82Å; F701-R726 HydrophobicContact CE1-CB 4.23Å; F701-R726 HydrophobicContact CE1-CG 4.47Å; F701-R726 HydrophobicContact CE2-CG 4.17Å; F701-R726 HydrophobicContact CG-CB 4.39Å; F701-R726 HydrophobicContact CG-CG 3.81Å; F701-R726 HydrophobicContact CZ-CB 4.43Å; F701-F729 HydrophobicContact CE2-CB 4.5Å; F701-F729 AromaticContact CE2-CD1 3.93Å; F701-F729 HydrophobicContact CE2-CD1 3.93Å; F701-F729 HydrophobicContact CZ-CB 3.84Å; F701-F729 AromaticContact CZ-CD1 3.49Å; F701-F729 HydrophobicContact CZ-CD1 3.49Å; F701-F729 VanDerWaalsContact CZ-CD1 3.49Å; F701-F729 HydrophobicContact CZ-CE1 4.34Å; F701-F729 AromaticContact CZ-CG 3.97Å; F701-F729 HydrophobicContact CZ-CG 3.97Å
702L83.5Confident74.2Confident95 Ų9573.9 Ų73.950%0.49735%0.353SS..Hα-helixtrans-60.3-41.1173.2-69.7173.9000111.2Q698 I699 D705 E706Q698-L702 WeakPolarHBondContact O-CG 3.37Å; Q698-L702 PolarHBondContact O-N 2.99Å; I699-L702 PolarHBondContact O-N 3.43Å; L702-D705 PolarHBondContact O-N 3.4Å; L702-E706 PolarHBondContact O-N 3.46Å
703L85.3Confident74.3Confident98 Ų9871.1 Ų71.151%0.51335%0.35SS..Hα-helixtrans-65.7-44.4177-176.167.1000111.9I699 L700 F701 D705 E706 I707I699-L703 PolarHBondContact O-N 2.79Å; L700-L703 WeakPolarHBondContact O-CB 3.4Å; L700-L703 PolarHBondContact O-N 3.35Å; F701-L703 VanDerWaalsContact C-N 3.28Å; F701-L703 PolarHBondContact O-N 2.9Å; L703-D705 VanDerWaalsContact C-N 3.34Å; L703-E706 PolarHBondContact O-N 3Å; L703-I707 HydrophobicContact CD1-CD1 3.82Å; L703-I707 HydrophobicContact CD1-CG1 4.17Å; L703-I707 HydrophobicContact CD2-CD1 4.22Å; L703-I707 HydrophobicContact CG-CD1 3.63Å; L703-I707 HydrophobicContact CG-CG1 4.3Å; L703-I707 WeakPolarHBondContact O-CB 3.44Å; L703-I707 WeakPolarHBondContact O-CG1 3.45Å; L703-I707 PolarHBondContact O-N 3.13Å
704V83.4Confident74.1Confident17 Ų1769.6 Ų69.610%0.10335%0.35CS..Hα-helixtrans-64.5-40.4177170.40000111L700 F701 E706 I707 F708 L710 F722 F805L700-V704 HydrophobicContact CD1-CG2 4.34Å; L700-V704 HydrophobicContact CG-CG2 4.48Å; L700-V704 VanDerWaalsContact O-CG2 3.32Å; L700-V704 WeakPolarHBondContact O-CG2 3.42Å; L700-V704 PolarHBondContact O-N 2.93Å; F701-V704 PolarHBondContact O-N 3.29Å; V704-E706 PolarHBondContact O-N 2.98Å; V704-I707 PolarHBondContact O-N 3.07Å; V704-F708 HydrophobicContact CB-CD2 4.44Å; V704-F708 HydrophobicContact CG1-CD2 3.76Å; V704-F708 HydrophobicContact CG1-CE2 4.18Å; V704-F708 VanDerWaalsContact O-CD2 3.31Å; V704-F708 WeakPolarHBondContact O-CD2 3.27Å; V704-F708 PolarHBondContact O-N 3.07Å; V704-L710 HydrophobicContact CG1-CD1 4.21Å; V704-F722 HydrophobicContact CB-CE2 4.45Å; V704-F722 HydrophobicContact CB-CZ 3.86Å; V704-F722 HydrophobicContact CG1-CE1 4.49Å; V704-F722 HydrophobicContact CG1-CE2 3.52Å; V704-F722 HydrophobicContact CG1-CZ 3.37Å; V704-F805 HydrophobicContact CG1-CZ 3.79Å; V704-F805 HydrophobicContact CG2-CZ 4.38Å
705D78.9Confident73.3Confident17 Ų1770.6 Ų70.69%0.09135%0.354CS..Hα-helixtrans-57.8-48.1176.2-157.7-0.7000111.3F701 L702 L703 D709 L710 H711 F722 R726F701-D705 VanDerWaalsContact O-CB 3.29Å; F701-D705 WeakPolarHBondContact O-CB 3.45Å; F701-D705 PolarHBondContact O-N 3.48Å; L702-D705 PolarHBondContact O-N 3.4Å; L703-D705 VanDerWaalsContact C-N 3.34Å; D705-D709 WeakPolarHBondContact O-CA 3.34Å; D705-D709 PolarHBondContact O-N 3.21Å; D705-L710 PolarHBondContact O-N 3.19Å; D705-L710 VanDerWaalsContact O-N 3.07Å; D705-L710 WeakPolarHBondContact OD1-CB 3.15Å; D705-H711 PolarHBondContact OD1-N 3.26Å; D705-H711 IonicContact OD2-ND1 2.74Å; D705-F722 HydrophobicContact CB-CE1 3.96Å; D705-R726 IonicContact OD2-CZ 3.89Å; D705-R726 IonicContact OD2-NH2 3.15Å; D705-R726 PolarHBondContact OD2-NH2 3.03Å
706E83.5Confident71.5Confident156 Ų15677.7 Ų77.773%0.72938%0.382SS*.Hα-helixtrans-69-46.9179.2-17265.9-154.200112.2L702 L703 V704 F708 D709L702-E706 PolarHBondContact O-N 3.46Å; L703-E706 PolarHBondContact O-N 3Å; V704-E706 PolarHBondContact O-N 2.98Å; E706-F708 PolarHBondContact O-N 3.05Å; E706-D709 PolarHBondContact O-N 3.38Å
707I85.2Confident70Confident38 Ų3877.6 Ų77.620%0.19538%0.38CS..Hα-helixtrans-62.4-46-177-73.6174.3000111.2L703 V704 G817 V821L703-I707 HydrophobicContact CD1-CD1 3.82Å; L703-I707 HydrophobicContact CD1-CG1 4.17Å; L703-I707 HydrophobicContact CD2-CD1 4.22Å; L703-I707 HydrophobicContact CG-CD1 3.63Å; L703-I707 HydrophobicContact CG-CG1 4.3Å; L703-I707 WeakPolarHBondContact O-CB 3.44Å; L703-I707 WeakPolarHBondContact O-CG1 3.45Å; L703-I707 PolarHBondContact O-N 3.13Å; V704-I707 PolarHBondContact O-N 3.07Å; I707-G817 WeakPolarHBondContact O-CA 3.2Å; I707-V821 HydrophobicContact CB-CG2 4.31Å; I707-V821 HydrophobicContact CD1-CG2 3.82Å; I707-V821 HydrophobicContact CG1-CG2 3.7Å; I707-V821 HydrophobicContact CG2-CG2 3.73Å
708F82.1Confident68.6Low11 Ų1179.8 Ų79.85%0.04839%0.388CS..Hα-helixtrans-94.72.1-174.6-61-74.6000113.2V704 E706 L710 R718 F805 L809 T813 R816V704-F708 HydrophobicContact CB-CD2 4.44Å; V704-F708 HydrophobicContact CG1-CD2 3.76Å; V704-F708 HydrophobicContact CG1-CE2 4.18Å; V704-F708 VanDerWaalsContact O-CD2 3.31Å; V704-F708 WeakPolarHBondContact O-CD2 3.27Å; V704-F708 PolarHBondContact O-N 3.07Å; E706-F708 PolarHBondContact O-N 3.05Å; F708-L710 HydrophobicContact CB-CD1 4.29Å; F708-L710 HydrophobicContact CB-CD2 4.1Å; F708-L710 HydrophobicContact CB-CG 4Å; F708-R718 PolarHBondContact O-NH1 2.89Å; F708-F805 AromaticContact CE2-CE1 3.8Å; F708-F805 HydrophobicContact CE2-CE1 3.8Å; F708-F805 HydrophobicContact CE2-CZ 4.18Å; F708-F805 HydrophobicContact CZ-CE1 4.07Å; F708-L809 HydrophobicContact CD1-CD1 3.71Å; F708-L809 HydrophobicContact CD2-CD1 3.84Å; F708-L809 HydrophobicContact CE1-CD1 3.66Å; F708-L809 HydrophobicContact CE2-CD1 3.79Å; F708-L809 HydrophobicContact CG-CD1 3.8Å; F708-L809 HydrophobicContact CZ-CD1 3.69Å; F708-T813 HydrophobicContact CB-CG2 3.93Å; F708-T813 HydrophobicContact CD1-CG2 3.95Å; F708-T813 HydrophobicContact CG-CG2 4.33Å; F708-R816 PolarHBondContact O-NH2 2.79Å
709D73.7Confident66.7Low45 Ų4580.9 Ų80.924%0.24139%0.394CS..THydrogen-bonded Turntrans52.460.8177.2177.659.6000110.3D705 E706 R712 R816D705-D709 WeakPolarHBondContact O-CA 3.34Å; D705-D709 PolarHBondContact O-N 3.21Å; E706-D709 PolarHBondContact O-N 3.38Å; D709-R712 WeakPolarHBondContact OD1-CD 3.14Å; D709-R712 VanDerWaalsContact OD1-CG 3.32Å; D709-R712 WeakPolarHBondContact OD1-CG 3.38Å; D709-R712 IonicContact OD1-CZ 3.12Å; D709-R712 IonicContact OD1-NE 3.99Å; D709-R712 PolarHBondContact OD1-NE 3.17Å; D709-R712 VanDerWaalsContact OD2-CD 3.3Å; D709-R712 WeakPolarHBondContact OD2-CD 3.45Å; D709-R712 IonicContact OD2-CZ 2.78Å; D709-R712 IonicContact OD2-NE 3.97Å; D709-R712 PolarHBondContact OD2-NE 2.83Å; D709-R712 VanDerWaalsContact OD2-NE 3.15Å; D709-R816 PolarHBondContact O-NH2 3.2Å; D709-R816 IonicContact OD2-CZ 3.59Å; D709-R816 IonicContact OD2-NH1 3.94Å; D709-R816 PolarHBondContact OD2-NH1 3.41Å; D709-R816 IonicContact OD2-NH2 3.31Å; D709-R816 PolarHBondContact OD2-NH2 3.1Å
710L69.9Low65.1Low6 Ų678.4 Ų78.43%0.03139%0.39CS..  trans-89-6.4-175.7-54.2172.3000112.9V704 D705 F708 R718 F722 L809V704-L710 HydrophobicContact CG1-CD1 4.21Å; D705-L710 PolarHBondContact O-N 3.19Å; D705-L710 VanDerWaalsContact O-N 3.07Å; D705-L710 WeakPolarHBondContact OD1-CB 3.15Å; F708-L710 HydrophobicContact CB-CD1 4.29Å; F708-L710 HydrophobicContact CB-CD2 4.1Å; F708-L710 HydrophobicContact CB-CG 4Å; L710-R718 HydrophobicContact CD2-CB 4.39Å; L710-R718 VanDerWaalsContact CD2-NH1 3.26Å; L710-F722 HydrophobicContact CB-CB 4.42Å; L710-F722 HydrophobicContact CB-CD1 4.25Å; L710-F722 HydrophobicContact CB-CG 4.4Å; L710-F722 HydrophobicContact CD1-CB 3.99Å; L710-F722 HydrophobicContact CD1-CD1 3.57Å; L710-F722 HydrophobicContact CD1-CD2 3.39Å; L710-F722 HydrophobicContact CD1-CE1 3.72Å; L710-F722 HydrophobicContact CD1-CE2 3.56Å; L710-F722 HydrophobicContact CD1-CG 3.37Å; L710-F722 HydrophobicContact CD1-CZ 3.69Å; L710-F722 HydrophobicContact CG-CG 4.43Å; L710-L809 HydrophobicContact CD1-CD2 4.49Å
711H61.6Low63.6Low114 Ų11475.9 Ų75.953%0.52838%0.377SS..  trans-95.7-5.8-172.7-148.176.4000116.4D705 E713 Q719D705-H711 PolarHBondContact OD1-N 3.26Å; D705-H711 IonicContact OD2-ND1 2.74Å; H711-E713 PolarHBondContact O-N 2.79Å; H711-E713 VanDerWaalsContact O-N 3.15Å; H711-Q719 PolarHBondContact CE1-NE2 3.45Å; H711-Q719 VanDerWaalsContact CE1-NE2 3.29Å; H711-Q719 PolarHBondContact ND1-NE2 3.26Å
712R50.1Low62.5Low160 Ų16075.6 Ų75.660%0.60438%0.376SS*.  trans-71.5113.5-173.7-77.1-173.5-172.9-150.2-1.5112.7D709 S714 Q715D709-R712 WeakPolarHBondContact OD1-CD 3.14Å; D709-R712 VanDerWaalsContact OD1-CG 3.32Å; D709-R712 WeakPolarHBondContact OD1-CG 3.38Å; D709-R712 IonicContact OD1-CZ 3.12Å; D709-R712 IonicContact OD1-NE 3.99Å; D709-R712 PolarHBondContact OD1-NE 3.17Å; D709-R712 VanDerWaalsContact OD2-CD 3.3Å; D709-R712 WeakPolarHBondContact OD2-CD 3.45Å; D709-R712 IonicContact OD2-CZ 2.78Å; D709-R712 IonicContact OD2-NE 3.97Å; D709-R712 PolarHBondContact OD2-NE 2.83Å; D709-R712 VanDerWaalsContact OD2-NE 3.15Å; R712-S714 PolarHBondContact O-N 2.81Å; R712-Q715 PolarHBondContact O-N 3.34Å
713E44.5Very low61.3Low173 Ų17373.4 Ų73.481%0.80837%0.371SS*.THydrogen-bonded Turntrans-50.2-28.2174.9-61.8-179.9164.400114.8H711 Q715H711-E713 PolarHBondContact O-N 2.79Å; H711-E713 VanDerWaalsContact O-N 3.15Å; E713-Q715 PolarHBondContact O-N 2.96Å; E713-Q715 VanDerWaalsContact O-N 3.15Å
714S43.2Very low59.8Low105 Ų10570 Ų7073%0.73435%0.353SS*.THydrogen-bonded Turntrans-73.1-2.3-175.161.60000115.6R712R712-S714 PolarHBondContact O-N 2.81Å
715Q44.6Very low58.6Low118 Ų11870.2 Ų70.255%0.55135%0.354SS*.  trans-140.3101.8168.6-64.7-175.8-12.800107.8R712 E713 T717R712-Q715 PolarHBondContact O-N 3.34Å; E713-Q715 PolarHBondContact O-N 2.96Å; E713-Q715 VanDerWaalsContact O-N 3.15Å; Q715-T717 PolarHBondContact O-N 3.37Å
716F41.3Very low58Low195 Ų19572.5 Ų72.586%0.85536%0.361SS*.THydrogen-bonded Turntrans-61.216177.3-88.4-88.3000114.5
717T49.2Very low56.8Low43 Ų4371 Ų7126%0.26435%0.352SS..THydrogen-bonded Turntrans-90.6-10.8-169.256.80000115D132 Q715D132-T717 HydrophobicContact CB-CG2 4.02Å; D132-T717 WeakPolarHBondContact OD2-CA 3.45Å; D132-T717 WeakPolarHBondContact OD2-CB 3.32Å; D132-T717 WeakPolarHBondContact OD2-CG2 3.31Å; Q715-T717 PolarHBondContact O-N 3.37Å
718R50.9Low55.5Low46 Ų4669.8 Ų69.817%0.17435%0.346CS..SBendtrans-133.9-33.1-167.2-43.9-167.884-168.612.2116.1F708 L710 G720 N721 F722 L809 T813F708-R718 PolarHBondContact O-NH1 2.89Å; L710-R718 HydrophobicContact CD2-CB 4.39Å; L710-R718 VanDerWaalsContact CD2-NH1 3.26Å; R718-G720 VanDerWaalsContact C-N 3.31Å; R718-G720 PolarHBondContact O-N 3.48Å; R718-N721 PolarHBondContact O-N 3.1Å; R718-F722 WeakPolarHBondContact O-CB 3.35Å; R718-F722 PolarHBondContact O-N 3.26Å; R718-L809 PolarHBondContact NH2-O 3.28Å; R718-T813 PolarHBondContact NH1-OG1 3.14Å; R718-T813 VanDerWaalsContact NH2-CB 3.28Å; R718-T813 PolarHBondContact NH2-OG1 2.99Å
719Q42.7Very low54.5Low86 Ų8672.3 Ų72.340%0.40236%0.357SS..Hα-helixtrans-55-47.2178.2-166.992.66.800111.2H711 A723H711-Q719 PolarHBondContact CE1-NE2 3.45Å; H711-Q719 VanDerWaalsContact CE1-NE2 3.29Å; H711-Q719 PolarHBondContact ND1-NE2 3.26Å; Q719-A723 WeakPolarHBondContact O-CB 3.44Å; Q719-A723 PolarHBondContact O-N 2.86Å
720G50.3Low54Low37 Ų3773.2 Ų73.238%0.38136%0.359SS..Hα-helixtrans-59.4-59.9178.800000110.8R718 F722 A723 I724R718-G720 VanDerWaalsContact C-N 3.31Å; R718-G720 PolarHBondContact O-N 3.48Å; G720-F722 PolarHBondContact O-N 2.96Å; G720-A723 PolarHBondContact O-N 2.97Å; G720-I724 WeakPolarHBondContact O-CB 3.43Å; G720-I724 VanDerWaalsContact O-CD1 3.24Å; G720-I724 WeakPolarHBondContact O-CD1 3.46Å; G720-I724 WeakPolarHBondContact O-CG1 3.22Å; G720-I724 PolarHBondContact O-N 3.16Å
721N51.2Low53.4Low20 Ų2077.5 Ų77.511%0.10739%0.386CS..Hα-helixtrans-69.5-31.8-172.8-61.4-48.1000114.3V128 R718 L725V128-N721 WeakPolarHBondContact CG1-ND2 3.48Å; V128-N721 HydrophobicContact CG2-CB 4.18Å; V128-N721 WeakPolarHBondContact CG2-ND2 3.45Å; R718-N721 PolarHBondContact O-N 3.1Å; N721-L725 WeakPolarHBondContact O-CB 3.48Å; N721-L725 PolarHBondContact O-N 3.35Å
722F57.4Low53Low8 Ų876.6 Ų76.64%0.03538%0.381CS..Hα-helixtrans-79.5-35.4173.4-170.9-110.6000112.6F701 V704 D705 L710 R718 G720 I724 L725 R726F701-F722 HydrophobicContact CD1-CE1 4.15Å; F701-F722 HydrophobicContact CD1-CE2 4.04Å; F701-F722 AromaticContact CD1-CZ 3.51Å; F701-F722 HydrophobicContact CD1-CZ 3.51Å; F701-F722 HydrophobicContact CE1-CE2 4.17Å; F701-F722 HydrophobicContact CE1-CZ 4.11Å; V704-F722 HydrophobicContact CB-CE2 4.45Å; V704-F722 HydrophobicContact CB-CZ 3.86Å; V704-F722 HydrophobicContact CG1-CE1 4.49Å; V704-F722 HydrophobicContact CG1-CE2 3.52Å; V704-F722 HydrophobicContact CG1-CZ 3.37Å; D705-F722 HydrophobicContact CB-CE1 3.96Å; L710-F722 HydrophobicContact CB-CB 4.42Å; L710-F722 HydrophobicContact CB-CD1 4.25Å; L710-F722 HydrophobicContact CB-CG 4.4Å; L710-F722 HydrophobicContact CD1-CB 3.99Å; L710-F722 HydrophobicContact CD1-CD1 3.57Å; L710-F722 HydrophobicContact CD1-CD2 3.39Å; L710-F722 HydrophobicContact CD1-CE1 3.72Å; L710-F722 HydrophobicContact CD1-CE2 3.56Å; L710-F722 HydrophobicContact CD1-CG 3.37Å; L710-F722 HydrophobicContact CD1-CZ 3.69Å; L710-F722 HydrophobicContact CG-CG 4.43Å; R718-F722 WeakPolarHBondContact O-CB 3.35Å; R718-F722 PolarHBondContact O-N 3.26Å; G720-F722 PolarHBondContact O-N 2.96Å; F722-I724 VanDerWaalsContact C-N 3.28Å; F722-L725 HydrophobicContact CD2-CD2 4.09Å; F722-L725 HydrophobicContact CE2-CD2 4.24Å; F722-L725 PolarHBondContact O-N 3.5Å; F722-R726 WeakPolarHBondContact O-CA 3.41Å; F722-R726 WeakPolarHBondContact O-CB 3.43Å; F722-R726 PolarHBondContact O-N 3.02Å
723A58.6Low53.7Low48 Ų4873.1 Ų73.140%0.39737%0.37SS..Hα-helixtrans-64.2-39170.700000110.9Q719 G720 R726 K727Q719-A723 WeakPolarHBondContact O-CB 3.44Å; Q719-A723 PolarHBondContact O-N 2.86Å; G720-A723 PolarHBondContact O-N 2.97Å; A723-R726 WeakPolarHBondContact O-CB 3.39Å; A723-R726 PolarHBondContact O-N 2.87Å; A723-K727 WeakPolarHBondContact O-CB 3.15Å; A723-K727 PolarHBondContact O-N 3.41Å
724I53.7Low54.7Low26 Ų2665 Ų6513%0.13333%0.334CS..Hα-helixtrans-64.3-52.4173.4-72.1166.5000110.1A179 E183 G720 F722 R726 K727 I728A179-I724 HydrophobicContact CB-CG2 3.12Å; E183-I724 WeakPolarHBondContact OE1-CD1 3.41Å; E183-I724 WeakPolarHBondContact OE1-CG1 3.31Å; G720-I724 WeakPolarHBondContact O-CB 3.43Å; G720-I724 VanDerWaalsContact O-CD1 3.24Å; G720-I724 WeakPolarHBondContact O-CD1 3.46Å; G720-I724 WeakPolarHBondContact O-CG1 3.22Å; G720-I724 PolarHBondContact O-N 3.16Å; F722-I724 VanDerWaalsContact C-N 3.28Å; I724-R726 VanDerWaalsContact C-N 3.31Å; I724-R726 PolarHBondContact O-N 3.34Å; I724-K727 CarbonylContact O-C 3.43Å; I724-K727 PolarHBondContact O-N 3.43Å; I724-I728 HydrophobicContact CG2-CD1 4.04Å; I724-I728 HydrophobicContact CG2-CG1 4.4Å; I724-I728 VanDerWaalsContact O-CG1 3.27Å; I724-I728 WeakPolarHBondContact O-CG1 3.46Å; I724-I728 PolarHBondContact O-N 2.94Å
725L58.9Low56Low22 Ų2266.4 Ų66.412%0.11533%0.331CS..Hα-helixtrans-57.1-45.8175-178.378.6000110.6N721 F722 K727 I728 F729 F808N721-L725 WeakPolarHBondContact O-CB 3.48Å; N721-L725 PolarHBondContact O-N 3.35Å; F722-L725 HydrophobicContact CD2-CD2 4.09Å; F722-L725 HydrophobicContact CE2-CD2 4.24Å; F722-L725 PolarHBondContact O-N 3.5Å; L725-K727 VanDerWaalsContact C-N 3.29Å; L725-K727 PolarHBondContact O-N 3.23Å; L725-I728 PolarHBondContact O-N 3.25Å; L725-F729 WeakPolarHBondContact O-CA 3.41Å; L725-F729 WeakPolarHBondContact O-CB 3.01Å; L725-F729 PolarHBondContact O-N 2.98Å; L725-F808 HydrophobicContact CB-CE1 4.19Å; L725-F808 HydrophobicContact CB-CZ 3.89Å; L725-F808 HydrophobicContact CD1-CD2 4.43Å; L725-F808 HydrophobicContact CD1-CE1 4.17Å; L725-F808 HydrophobicContact CD1-CE2 3.79Å; L725-F808 HydrophobicContact CD1-CZ 3.65Å; L725-F808 HydrophobicContact CD2-CD1 3.94Å; L725-F808 HydrophobicContact CD2-CE1 3.5Å; L725-F808 HydrophobicContact CD2-CZ 3.87Å; L725-F808 HydrophobicContact CG-CE1 4.13Å; L725-F808 HydrophobicContact CG-CZ 3.97Å
726R65.1Low57.2Low66 Ų6670 Ų7025%0.24934%0.34CS..Hα-helixtrans-54.9-47.5175.2-179.3-171-56-170.12.7110F701 D705 F722 A723 I724 Q730F701-R726 HydrophobicContact CB-CG 4.26Å; F701-R726 HydrophobicContact CD1-CB 4.2Å; F701-R726 HydrophobicContact CD1-CG 4.12Å; F701-R726 HydrophobicContact CD2-CG 3.82Å; F701-R726 HydrophobicContact CE1-CB 4.23Å; F701-R726 HydrophobicContact CE1-CG 4.47Å; F701-R726 HydrophobicContact CE2-CG 4.17Å; F701-R726 HydrophobicContact CG-CB 4.39Å; F701-R726 HydrophobicContact CG-CG 3.81Å; F701-R726 HydrophobicContact CZ-CB 4.43Å; D705-R726 IonicContact OD2-CZ 3.89Å; D705-R726 IonicContact OD2-NH2 3.15Å; D705-R726 PolarHBondContact OD2-NH2 3.03Å; F722-R726 WeakPolarHBondContact O-CA 3.41Å; F722-R726 WeakPolarHBondContact O-CB 3.43Å; F722-R726 PolarHBondContact O-N 3.02Å; A723-R726 WeakPolarHBondContact O-CB 3.39Å; A723-R726 PolarHBondContact O-N 2.87Å; I724-R726 VanDerWaalsContact C-N 3.31Å; I724-R726 PolarHBondContact O-N 3.34Å; R726-Q730 WeakPolarHBondContact O-CB 3.36Å; R726-Q730 PolarHBondContact O-N 3.16Å
727K59.3Low58.7Low125 Ų12561.4 Ų61.454%0.54330%0.303SS..Hα-helixtrans-65.3-51179.4-160.7169-177.4-176.40111.5A723 I724 L725 F729 T731A723-K727 WeakPolarHBondContact O-CB 3.15Å; A723-K727 PolarHBondContact O-N 3.41Å; I724-K727 CarbonylContact O-C 3.43Å; I724-K727 PolarHBondContact O-N 3.43Å; L725-K727 VanDerWaalsContact C-N 3.29Å; L725-K727 PolarHBondContact O-N 3.23Å; K727-F729 PolarHBondContact O-N 2.8Å; K727-T731 VanDerWaalsContact O-CB 3.32Å; K727-T731 WeakPolarHBondContact O-CB 3.26Å; K727-T731 PolarHBondContact O-N 3.38Å; K727-T731 PolarHBondContact O-OG1 3.34Å
728I56.6Low60.1Low11 Ų1160.6 Ų60.66%0.05630%0.297CS..Hα-helixtrans-56-53.6175.3-59.3162.9000110.4A175 A179 I724 L725 Q730 T731 F732A175-I728 WeakPolarHBondContact O-CD1 3.47Å; A179-I728 HydrophobicContact CB-CD1 3.07Å; A179-I728 HydrophobicContact CB-CG1 3.59Å; I724-I728 HydrophobicContact CG2-CD1 4.04Å; I724-I728 HydrophobicContact CG2-CG1 4.4Å; I724-I728 VanDerWaalsContact O-CG1 3.27Å; I724-I728 WeakPolarHBondContact O-CG1 3.46Å; I724-I728 PolarHBondContact O-N 2.94Å; L725-I728 PolarHBondContact O-N 3.25Å; I728-Q730 VanDerWaalsContact C-N 3.33Å; I728-Q730 PolarHBondContact O-N 3.42Å; I728-T731 PolarHBondContact O-N 3.24Å; I728-T731 VanDerWaalsContact O-N 3.16Å; I728-F732 HydrophobicContact CG2-CD2 3.63Å; I728-F732 HydrophobicContact CG2-CE2 4.11Å; I728-F732 VanDerWaalsContact O-CD2 3.32Å; I728-F732 WeakPolarHBondContact O-CD2 3.29Å; I728-F732 PolarHBondContact O-N 3.02Å
729F60.9Low61.5Low65 Ų6565.2 Ų65.229%0.28532%0.319SS..Iπ-helixtrans-71.1-34.4-169.2-166.8-89.3000110.8I697 F701 L725 K727 F733 G734 V737I697-F729 HydrophobicContact CD1-CD1 3.73Å; I697-F729 HydrophobicContact CD1-CE1 3.9Å; F701-F729 HydrophobicContact CE2-CB 4.5Å; F701-F729 AromaticContact CE2-CD1 3.93Å; F701-F729 HydrophobicContact CE2-CD1 3.93Å; F701-F729 HydrophobicContact CZ-CB 3.84Å; F701-F729 AromaticContact CZ-CD1 3.49Å; F701-F729 HydrophobicContact CZ-CD1 3.49Å; F701-F729 VanDerWaalsContact CZ-CD1 3.49Å; F701-F729 HydrophobicContact CZ-CE1 4.34Å; F701-F729 AromaticContact CZ-CG 3.97Å; F701-F729 HydrophobicContact CZ-CG 3.97Å; L725-F729 WeakPolarHBondContact O-CA 3.41Å; L725-F729 WeakPolarHBondContact O-CB 3.01Å; L725-F729 PolarHBondContact O-N 2.98Å; K727-F729 PolarHBondContact O-N 2.8Å; F729-F733 HydrophobicContact CD1-CB 4.34Å; F729-F733 HydrophobicContact CD2-CB 4.25Å; F729-F733 AromaticContact CD2-CD2 3.56Å; F729-F733 HydrophobicContact CD2-CD2 3.56Å; F729-F733 HydrophobicContact CD2-CE2 4.33Å; F729-F733 HydrophobicContact CD2-CG 4.22Å; F729-F733 HydrophobicContact CE1-CB 4.37Å; F729-F733 HydrophobicContact CE2-CB 4.24Å; F729-F733 AromaticContact CE2-CD2 3.96Å; F729-F733 HydrophobicContact CE2-CD2 3.96Å; F729-F733 HydrophobicContact CE2-CG 4.26Å; F729-F733 HydrophobicContact CG-CB 4.29Å; F729-F733 HydrophobicContact CG-CD2 4.11Å; F729-F733 HydrophobicContact CZ-CB 4.31Å; F729-F733 CarbonylContact O-C 3.55Å; F729-F733 VanDerWaalsContact O-C 3.31Å; F729-F733 VanDerWaalsContact O-CA 3.27Å; F729-F733 WeakPolarHBondContact O-CA 3.24Å; F729-F733 WeakPolarHBondContact O-CB 3.21Å; F729-F733 PolarHBondContact O-N 3.5Å; F729-G734 PolarHBondContact O-N 3.44Å; F729-V737 HydrophobicContact CE1-CB 4.26Å; F729-V737 HydrophobicContact CE1-CG1 4.12Å; F729-V737 HydrophobicContact CE1-CG2 3.61Å; F729-V737 HydrophobicContact CZ-CG2 3.69Å
730Q64.6Low63.2Low63 Ų6367 Ų6729%0.29433%0.329SS..Iπ-helixtrans-68.1-39.8170.3-171.1171.62.200112.2I697 Q698 R726 I728 G734I697-Q730 HydrophobicContact CG2-CG 4.45Å; Q698-Q730 VanDerWaalsContact NE2-NE2 3.13Å; R726-Q730 WeakPolarHBondContact O-CB 3.36Å; R726-Q730 PolarHBondContact O-N 3.16Å; I728-Q730 VanDerWaalsContact C-N 3.33Å; I728-Q730 PolarHBondContact O-N 3.42Å; Q730-G734 WeakPolarHBondContact O-CA 3.35Å; Q730-G734 PolarHBondContact O-N 3.35Å
731T56.4Low64.6Low97 Ų9767.6 Ų67.660%0.59532%0.322SS*.Iπ-helixtrans-70.2-47.5179.1-61.60000112.7K727 I728K727-T731 VanDerWaalsContact O-CB 3.32Å; K727-T731 WeakPolarHBondContact O-CB 3.26Å; K727-T731 PolarHBondContact O-N 3.38Å; K727-T731 PolarHBondContact O-OG1 3.34Å; I728-T731 PolarHBondContact O-N 3.24Å; I728-T731 VanDerWaalsContact O-N 3.16Å
732F54.4Low66.2Low94 Ų9471 Ų7141%0.41234%0.339SS..Iπ-helixtrans-90.2-41.8-174.5-72.5-78.9000113.6M182 I728M182-F732 HydrophobicContact CE-CE1 4.32Å; M182-F732 HydrophobicContact CE-CE2 3.66Å; M182-F732 HydrophobicContact CE-CZ 3.32Å; I728-F732 HydrophobicContact CG2-CD2 3.63Å; I728-F732 HydrophobicContact CG2-CE2 4.11Å; I728-F732 VanDerWaalsContact O-CD2 3.32Å; I728-F732 WeakPolarHBondContact O-CD2 3.29Å; I728-F732 PolarHBondContact O-N 3.02Å
733F63.3Low67.5Low87 Ų8773.5 Ų73.538%0.38236%0.362SS..Iπ-helixtrans-106.3-5.8-173.9-56.4-71.6000112.9F729 I735 R736 V737F729-F733 HydrophobicContact CD1-CB 4.34Å; F729-F733 HydrophobicContact CD2-CB 4.25Å; F729-F733 AromaticContact CD2-CD2 3.56Å; F729-F733 HydrophobicContact CD2-CD2 3.56Å; F729-F733 HydrophobicContact CD2-CE2 4.33Å; F729-F733 HydrophobicContact CD2-CG 4.22Å; F729-F733 HydrophobicContact CE1-CB 4.37Å; F729-F733 HydrophobicContact CE2-CB 4.24Å; F729-F733 AromaticContact CE2-CD2 3.96Å; F729-F733 HydrophobicContact CE2-CD2 3.96Å; F729-F733 HydrophobicContact CE2-CG 4.26Å; F729-F733 HydrophobicContact CG-CB 4.29Å; F729-F733 HydrophobicContact CG-CD2 4.11Å; F729-F733 HydrophobicContact CZ-CB 4.31Å; F729-F733 CarbonylContact O-C 3.55Å; F729-F733 VanDerWaalsContact O-C 3.31Å; F729-F733 VanDerWaalsContact O-CA 3.27Å; F729-F733 WeakPolarHBondContact O-CA 3.24Å; F729-F733 WeakPolarHBondContact O-CB 3.21Å; F729-F733 PolarHBondContact O-N 3.5Å; F733-I735 PolarHBondContact O-N 2.83Å; F733-R736 PolarHBondContact O-N 3.01Å; F733-R736 VanDerWaalsContact O-N 3.12Å; F733-V737 HydrophobicContact CB-CG2 3.88Å; F733-V737 WeakPolarHBondContact O-CB 3.34Å; F733-V737 WeakPolarHBondContact O-CG2 3.48Å; F733-V737 PolarHBondContact O-N 3.11Å
734G65.4Low68.7Low4 Ų475.7 Ų75.74%0.04136%0.362CS..Hα-helixtrans-48.7-54.4-175.400000113.7F729 Q730 R736 N738F729-G734 PolarHBondContact O-N 3.44Å; Q730-G734 WeakPolarHBondContact O-CA 3.35Å; Q730-G734 PolarHBondContact O-N 3.35Å; G734-R736 PolarHBondContact O-N 3.44Å; G734-N738 WeakPolarHBondContact O-CB 3.43Å; G734-N738 PolarHBondContact O-N 2.84Å; G734-N738 PolarHBondContact O-ND2 3Å; G734-N738 VanDerWaalsContact O-ND2 3.08Å
735I72.3Confident70.2Confident133 Ų13376.8 Ų76.868%0.68238%0.375SS*.Hα-helixtrans-62.1-46.8-179.2-60171.8000111F733 K739F733-I735 PolarHBondContact O-N 2.83Å; I735-K739 WeakPolarHBondContact O-CG 3.38Å; I735-K739 PolarHBondContact O-N 3.1Å
736R68.3Low71.6Confident195 Ų19579.3 Ų79.374%0.73639%0.394SS*.Hα-helixtrans-66.6-45.4-177.2-176.7176.9-179.5177.2-0.3111.7F733 G734 K739 M740F733-R736 PolarHBondContact O-N 3.01Å; F733-R736 VanDerWaalsContact O-N 3.12Å; G734-R736 PolarHBondContact O-N 3.44Å; R736-K739 PolarHBondContact O-N 2.99Å; R736-M740 WeakPolarHBondContact O-CB 3.27Å; R736-M740 PolarHBondContact O-N 3.4Å
737V72.4Confident72.5Confident13 Ų1379.9 Ų79.98%0.07940%0.399CS..Hα-helixtrans-69.9-40.5-179.41720000110.4I697 F729 F733 K739 M740 I741I697-V737 HydrophobicContact CD1-CB 3.81Å; I697-V737 HydrophobicContact CD1-CG1 3.75Å; I697-V737 HydrophobicContact CG1-CG1 3.96Å; F729-V737 HydrophobicContact CE1-CB 4.26Å; F729-V737 HydrophobicContact CE1-CG1 4.12Å; F729-V737 HydrophobicContact CE1-CG2 3.61Å; F729-V737 HydrophobicContact CZ-CG2 3.69Å; F733-V737 HydrophobicContact CB-CG2 3.88Å; F733-V737 WeakPolarHBondContact O-CB 3.34Å; F733-V737 WeakPolarHBondContact O-CG2 3.48Å; F733-V737 PolarHBondContact O-N 3.11Å; V737-K739 VanDerWaalsContact C-N 3.34Å; V737-K739 PolarHBondContact O-N 3.3Å; V737-M740 CarbonylContact O-C 3.59Å; V737-M740 WeakPolarHBondContact O-CB 3Å; V737-M740 PolarHBondContact O-N 3.17Å; V737-M740 VanDerWaalsContact O-N 3.11Å; V737-I741 HydrophobicContact CG1-CD1 3.73Å; V737-I741 HydrophobicContact CG1-CG1 4.17Å; V737-I741 VanDerWaalsContact O-CG1 3.27Å; V737-I741 WeakPolarHBondContact O-CG1 2.97Å; V737-I741 PolarHBondContact O-N 3.39Å
738N79.1Confident73.4Confident26 Ų2681.7 Ų81.714%0.13940%0.403CS..Hα-helixtrans-56.9-47.4171.4-78.6-31.2000111.5P696 I697 G734 M740 I741 I742P696-N738 WeakPolarHBondContact CD-OD1 3.46Å; I697-N738 VanDerWaalsContact CB-OD1 3.24Å; I697-N738 WeakPolarHBondContact CB-OD1 3.4Å; I697-N738 VanDerWaalsContact CG2-OD1 3.32Å; I697-N738 WeakPolarHBondContact CG2-OD1 3.48Å; I697-N738 PolarHBondContact N-OD1 3Å; G734-N738 WeakPolarHBondContact O-CB 3.43Å; G734-N738 PolarHBondContact O-N 2.84Å; G734-N738 PolarHBondContact O-ND2 3Å; G734-N738 VanDerWaalsContact O-ND2 3.08Å; N738-M740 VanDerWaalsContact C-N 3.31Å; N738-M740 PolarHBondContact O-N 2.94Å; N738-I741 PolarHBondContact O-N 3.33Å; N738-I742 VanDerWaalsContact O-CG1 3.27Å; N738-I742 WeakPolarHBondContact O-CG1 3.37Å; N738-I742 PolarHBondContact O-N 3.49Å
739K80.9Confident74.8Confident144 Ų14485.9 Ų85.963%0.62643%0.429SS*.Hα-helixtrans-59.3-40.8174.2-75.1-178.1179.2-176.10111.9I735 R736 V737 A743I735-K739 WeakPolarHBondContact O-CG 3.38Å; I735-K739 PolarHBondContact O-N 3.1Å; R736-K739 PolarHBondContact O-N 2.99Å; V737-K739 VanDerWaalsContact C-N 3.34Å; V737-K739 PolarHBondContact O-N 3.3Å; K739-A743 WeakPolarHBondContact O-CB 3.32Å; K739-A743 PolarHBondContact O-N 3.01Å
740M77.8Confident76Confident124 Ų12484.6 Ų84.661%0.61143%0.428SS*.Hα-helixtrans-66.8-43.4178.2-170.2-178.974.800112.5R736 V737 N738 A743 K744R736-M740 WeakPolarHBondContact O-CB 3.27Å; R736-M740 PolarHBondContact O-N 3.4Å; V737-M740 CarbonylContact O-C 3.59Å; V737-M740 WeakPolarHBondContact O-CB 3Å; V737-M740 PolarHBondContact O-N 3.17Å; V737-M740 VanDerWaalsContact O-N 3.11Å; N738-M740 VanDerWaalsContact C-N 3.31Å; N738-M740 PolarHBondContact O-N 2.94Å; M740-A743 PolarHBondContact O-N 2.96Å; M740-K744 WeakPolarHBondContact O-CB 3.33Å; M740-K744 PolarHBondContact O-N 3.41Å
741I79.8Confident77.3Confident49 Ų4985.2 Ų85.225%0.25144%0.444SS..Hα-helixtrans-61-48.2176.4-68.2165.7000109.7P696 I697 L700 V737 N738 K744 A745P696-I741 HydrophobicContact CB-CB 4.26Å; P696-I741 HydrophobicContact CB-CD1 4.13Å; P696-I741 HydrophobicContact CB-CG2 3.78Å; I697-I741 HydrophobicContact CB-CD1 4.42Å; L700-I741 HydrophobicContact CD2-CD1 4.15Å; V737-I741 HydrophobicContact CG1-CD1 3.73Å; V737-I741 HydrophobicContact CG1-CG1 4.17Å; V737-I741 VanDerWaalsContact O-CG1 3.27Å; V737-I741 WeakPolarHBondContact O-CG1 2.97Å; V737-I741 PolarHBondContact O-N 3.39Å; N738-I741 PolarHBondContact O-N 3.33Å; I741-K744 PolarHBondContact O-N 2.65Å; I741-A745 WeakPolarHBondContact O-CB 3.39Å; I741-A745 PolarHBondContact O-N 3.27Å
742I85Confident78.8Confident90 Ų9084.5 Ų84.546%0.46244%0.441SS..Hα-helixtrans-62.2-47.3177.7-66166.2000110.4P696 N738 K744 A745 C746P696-I742 HydrophobicContact CG-CG1 4.34Å; N738-I742 VanDerWaalsContact O-CG1 3.27Å; N738-I742 WeakPolarHBondContact O-CG1 3.37Å; N738-I742 PolarHBondContact O-N 3.49Å; I742-K744 VanDerWaalsContact C-N 3.28Å; I742-K744 PolarHBondContact O-N 2.76Å; I742-A745 PolarHBondContact O-N 3.4Å; I742-C746 WeakPolarHBondContact O-CB 3.45Å; I742-C746 PolarHBondContact O-N 3.44Å; I742-C746 PolarHBondContact O-SG 2.96Å
743A84Confident80.1Confident61 Ų6183.6 Ų83.650%0.50444%0.437SS..Hα-helixtrans-58.2-40.9177.500000111.8K739 M740 C746 E747K739-A743 WeakPolarHBondContact O-CB 3.32Å; K739-A743 PolarHBondContact O-N 3.01Å; M740-A743 PolarHBondContact O-N 2.96Å; A743-C746 PolarHBondContact O-N 3.15Å; A743-E747 PolarHBondContact O-N 2.74Å
744K83.7Confident81.3Confident95 Ų9582.5 Ų82.541%0.41344%0.435SS..Hα-helixtrans-68.2-40.4177.2-162.467.5-180169.20112.2M740 I741 I742 E747 W748M740-K744 WeakPolarHBondContact O-CB 3.33Å; M740-K744 PolarHBondContact O-N 3.41Å; I741-K744 PolarHBondContact O-N 2.65Å; I742-K744 VanDerWaalsContact C-N 3.28Å; I742-K744 PolarHBondContact O-N 2.76Å; K744-E747 WeakPolarHBondContact CD-OE2 3.45Å; K744-E747 IonicContact NZ-OE1 3.69Å; K744-E747 PolarHBondContact NZ-OE1 3.47Å; K744-E747 IonicContact NZ-OE2 2.84Å; K744-E747 PolarHBondContact NZ-OE2 3.18Å; K744-E747 WeakPolarHBondContact O-CB 3.27Å; K744-E747 PolarHBondContact O-N 2.96Å; K744-W748 PolarHBondContact O-N 3.23Å
745A85.2Confident82.3Confident49 Ų4986.2 Ų86.241%0.40546%0.457SS..Hα-helixtrans-62.5-42.2173.500000111.6I741 I742 W748 T749I741-A745 WeakPolarHBondContact O-CB 3.39Å; I741-A745 PolarHBondContact O-N 3.27Å; I742-A745 PolarHBondContact O-N 3.4Å; A745-W748 PolarHBondContact O-N 2.9Å; A745-T749 WeakPolarHBondContact O-CB 3.42Å; A745-T749 WeakPolarHBondContact O-CG2 3.41Å; A745-T749 PolarHBondContact O-N 2.97Å; A745-T749 PolarHBondContact O-OG1 3.26Å
746C88.4Confident82.8Confident75 Ų7584.5 Ų84.551%0.50745%0.446SS..Hα-helixtrans-62.8-39.7173.2-69.60000112.2I742 A743 T749 S750I742-C746 WeakPolarHBondContact O-CB 3.45Å; I742-C746 PolarHBondContact O-N 3.44Å; I742-C746 PolarHBondContact O-SG 2.96Å; A743-C746 PolarHBondContact O-N 3.15Å; C746-T749 WeakPolarHBondContact CA-OG1 3.18Å; C746-T749 PolarHBondContact O-N 2.93Å; C746-T749 PolarHBondContact O-OG1 3.46Å; C746-S750 PolarHBondContact O-N 2.85Å
747E83.6Confident83.3Confident78 Ų7878 Ų7836%0.36443%0.425SS..Hα-helixtrans-61.3-47.5174.7-169.9-158.5142.400111A743 K744 T749 S750 K753A743-E747 PolarHBondContact O-N 2.74Å; K744-E747 WeakPolarHBondContact CD-OE2 3.45Å; K744-E747 IonicContact NZ-OE1 3.69Å; K744-E747 PolarHBondContact NZ-OE1 3.47Å; K744-E747 IonicContact NZ-OE2 2.84Å; K744-E747 PolarHBondContact NZ-OE2 3.18Å; K744-E747 WeakPolarHBondContact O-CB 3.27Å; K744-E747 PolarHBondContact O-N 2.96Å; E747-T749 VanDerWaalsContact C-N 3.33Å; E747-T749 PolarHBondContact O-N 2.82Å; E747-S750 WeakPolarHBondContact O-CB 3.31Å; E747-S750 PolarHBondContact O-N 3.24Å; E747-S750 PolarHBondContact O-OG 2.74Å; E747-K753 WeakPolarHBondContact O-CG 3.41Å
748W78.7Confident84Confident162 Ų16282.2 Ų82.261%0.61445%0.446SS*.Hα-helixtrans-69.8-30.4-179.1-74.26.4000113.5K744 A745 S750 K753K744-W748 PolarHBondContact O-N 3.23Å; A745-W748 PolarHBondContact O-N 2.9Å; W748-S750 VanDerWaalsContact C-N 3.3Å; W748-K753 WeakPolarHBondContact O-CB 3.49Å
749T86.3Confident84.2Confident99 Ų9983.1 Ų83.161%0.60745%0.453SS*.THydrogen-bonded Turntrans-88.41.9175.256.20000113.2A745 C746 E747A745-T749 WeakPolarHBondContact O-CB 3.42Å; A745-T749 WeakPolarHBondContact O-CG2 3.41Å; A745-T749 PolarHBondContact O-N 2.97Å; A745-T749 PolarHBondContact O-OG1 3.26Å; C746-T749 WeakPolarHBondContact CA-OG1 3.18Å; C746-T749 PolarHBondContact O-N 2.93Å; C746-T749 PolarHBondContact O-OG1 3.46Å; E747-T749 VanDerWaalsContact C-N 3.33Å; E747-T749 PolarHBondContact O-N 2.82Å
750S87.2Confident84.1Confident39 Ų3977.9 Ų77.927%0.27343%0.429SS..SBendtrans-64.6147.7175.472.70000111.8C746 E747 W748 P752 K753 I754C746-S750 PolarHBondContact O-N 2.85Å; E747-S750 WeakPolarHBondContact O-CB 3.31Å; E747-S750 PolarHBondContact O-N 3.24Å; E747-S750 PolarHBondContact O-OG 2.74Å; W748-S750 VanDerWaalsContact C-N 3.3Å; S750-P752 VanDerWaalsContact C-CD 3.43Å; S750-P752 VanDerWaalsContact C-N 3.31Å; S750-K753 PolarHBondContact O-N 2.88Å; S750-K753 VanDerWaalsContact O-N 3.1Å; S750-I754 WeakPolarHBondContact O-CG1 3.48Å; S750-I754 PolarHBondContact O-N 3.33Å
751A91.2Very high84.2Confident75 Ų7574.5 Ų74.562%0.6241%0.413SS*.Hα-helixtrans-52.2-40.3-179.100000114T755A751-T755 VanDerWaalsContact O-CB 3.3Å; A751-T755 WeakPolarHBondContact O-CB 3.32Å; A751-T755 PolarHBondContact O-N 2.84Å; A751-T755 PolarHBondContact O-OG1 3.28Å
752P88.1Confident84.4Confident83 Ų8378 Ų7854%0.53942%0.424SS..Hα-helixtrans-62-46.1175.5-24.135.2000113.8S750 T755 Q756S750-P752 VanDerWaalsContact C-CD 3.43Å; S750-P752 VanDerWaalsContact C-N 3.31Å; P752-T755 WeakPolarHBondContact O-CB 3.18Å; P752-T755 PolarHBondContact O-N 2.87Å; P752-Q756 WeakPolarHBondContact O-CG 3.2Å; P752-Q756 PolarHBondContact O-N 3.42Å
753K82.4Confident84.2Confident74 Ų7476.5 Ų76.532%0.32242%0.416SS..Hα-helixtrans-68.2-40.7-179.7-72.1-67.1-173.6175.30111.7E747 W748 S750 T755 Q756 L757E747-K753 WeakPolarHBondContact O-CG 3.41Å; W748-K753 WeakPolarHBondContact O-CB 3.49Å; S750-K753 PolarHBondContact O-N 2.88Å; S750-K753 VanDerWaalsContact O-N 3.1Å; K753-T755 VanDerWaalsContact C-N 3.33Å; K753-T755 PolarHBondContact O-N 2.98Å; K753-Q756 WeakPolarHBondContact O-CB 3.26Å; K753-Q756 PolarHBondContact O-N 2.74Å; K753-L757 PolarHBondContact O-N 3.38Å
754I86.8Confident83.7Confident65 Ų6576.3 Ų76.333%0.33340%0.403SS..Hα-helixtrans-63.1-40.2172.8-63.1-61.1000111.2S750 Q756 L757 I758S750-I754 WeakPolarHBondContact O-CG1 3.48Å; S750-I754 PolarHBondContact O-N 3.33Å; I754-Q756 VanDerWaalsContact C-N 3.31Å; I754-Q756 PolarHBondContact O-N 3.28Å; I754-L757 PolarHBondContact O-N 3.38Å; I754-I758 HydrophobicContact CG2-CD1 3.71Å; I754-I758 HydrophobicContact CG2-CG1 4.26Å; I754-I758 WeakPolarHBondContact O-CB 3.41Å; I754-I758 VanDerWaalsContact O-CG1 3.3Å; I754-I758 WeakPolarHBondContact O-CG1 3.47Å; I754-I758 PolarHBondContact O-N 3.3Å
755T87.4Confident83.4Confident82 Ų8275.1 Ų75.150%0.50340%0.398SS..Hα-helixtrans-61.7-39.7175-59.70000111.6A751 P752 K753 T759A751-T755 VanDerWaalsContact O-CB 3.3Å; A751-T755 WeakPolarHBondContact O-CB 3.32Å; A751-T755 PolarHBondContact O-N 2.84Å; A751-T755 PolarHBondContact O-OG1 3.28Å; P752-T755 WeakPolarHBondContact O-CB 3.18Å; P752-T755 PolarHBondContact O-N 2.87Å; K753-T755 VanDerWaalsContact C-N 3.33Å; K753-T755 PolarHBondContact O-N 2.98Å; T755-T759 WeakPolarHBondContact O-CB 3.5Å; T755-T759 PolarHBondContact O-N 2.74Å; T755-T759 PolarHBondContact O-OG1 3.04Å
756Q82.5Confident83.1Confident96 Ų9682 Ų8245%0.44941%0.413SS..Hα-helixtrans-63.5-45.1174.4-71.21727.600111.6P752 K753 I754 T759 Y760P752-Q756 WeakPolarHBondContact O-CG 3.2Å; P752-Q756 PolarHBondContact O-N 3.42Å; K753-Q756 WeakPolarHBondContact O-CB 3.26Å; K753-Q756 PolarHBondContact O-N 2.74Å; I754-Q756 VanDerWaalsContact C-N 3.31Å; I754-Q756 PolarHBondContact O-N 3.28Å; Q756-T759 WeakPolarHBondContact O-CB 3.49Å; Q756-T759 PolarHBondContact O-N 3.18Å; Q756-Y760 WeakPolarHBondContact O-CB 3.46Å; Q756-Y760 PolarHBondContact O-N 2.94Å
757L79.5Confident82.4Confident59 Ų5982.6 Ų82.631%0.30942%0.416SS..Hα-helixtrans-63.2-45.5177.3178.760.6000112.1F18 K753 I754 T759 Y760 L761F18-L757 HydrophobicContact CZ-CD1 4.17Å; K753-L757 PolarHBondContact O-N 3.38Å; I754-L757 PolarHBondContact O-N 3.38Å; L757-T759 VanDerWaalsContact C-N 3.3Å; L757-T759 PolarHBondContact O-N 3.47Å; L757-Y760 PolarHBondContact O-N 2.76Å; L757-L761 HydrophobicContact CD1-CD1 4.36Å; L757-L761 HydrophobicContact CD1-CG 4.38Å; L757-L761 HydrophobicContact CG-CD1 4.32Å; L757-L761 WeakPolarHBondContact O-CG 3.42Å; L757-L761 PolarHBondContact O-N 3.17Å
758I85.3Confident81.8Confident101 Ų10182.7 Ų82.752%0.51842%0.424SS..Hα-helixtrans-62.3-41.4176-68.7169.9000110.1I754 L761 R762I754-I758 HydrophobicContact CG2-CD1 3.71Å; I754-I758 HydrophobicContact CG2-CG1 4.26Å; I754-I758 WeakPolarHBondContact O-CB 3.41Å; I754-I758 VanDerWaalsContact O-CG1 3.3Å; I754-I758 WeakPolarHBondContact O-CG1 3.47Å; I754-I758 PolarHBondContact O-N 3.3Å; I758-L761 PolarHBondContact O-N 2.7Å; I758-R762 WeakPolarHBondContact O-CB 3.43Å; I758-R762 PolarHBondContact O-N 2.78Å
759T83.9Confident81.3Confident45 Ų4584.4 Ų84.428%0.27644%0.436SS..Hα-helixtrans-62.4-45.4176.5-65.40000111.2T755 Q756 L757 R762 D763T755-T759 WeakPolarHBondContact O-CB 3.5Å; T755-T759 PolarHBondContact O-N 2.74Å; T755-T759 PolarHBondContact O-OG1 3.04Å; Q756-T759 WeakPolarHBondContact O-CB 3.49Å; Q756-T759 PolarHBondContact O-N 3.18Å; L757-T759 VanDerWaalsContact C-N 3.3Å; L757-T759 PolarHBondContact O-N 3.47Å; T759-R762 PolarHBondContact O-N 2.85Å; T759-D763 WeakPolarHBondContact O-CB 3.25Å; T759-D763 PolarHBondContact O-N 3.28Å
760Y80.1Confident79.7Confident34 Ų3485.3 Ų85.313%0.13344%0.437CS..Hα-helixtrans-58.7-48.9175.1170.9-102.1000111.8F10 T14 W17 Q756 L757 D763 Y764F10-Y760 HydrophobicContact CZ-CE1 4.24Å; T14-Y760 PolarHBondContact OG1-OH 3.46Å; W17-Y760 HydrophobicContact CD2-CD2 4.42Å; W17-Y760 HydrophobicContact CG-CE2 4.36Å; W17-Y760 HydrophobicContact CZ2-CG 4.49Å; Q756-Y760 WeakPolarHBondContact O-CB 3.46Å; Q756-Y760 PolarHBondContact O-N 2.94Å; L757-Y760 PolarHBondContact O-N 2.76Å; Y760-D763 PolarHBondContact O-N 2.85Å; Y760-Y764 WeakPolarHBondContact O-CB 3.46Å; Y760-Y764 PolarHBondContact O-N 2.78Å
761L79.6Confident78Confident53 Ų5394 Ų9428%0.27747%0.47SS..Hα-helixtrans-65.3-42.3178-69.9175000111.9F10 L757 I758 Y764 F765F10-L761 HydrophobicContact CZ-CD2 4.39Å; L757-L761 HydrophobicContact CD1-CD1 4.36Å; L757-L761 HydrophobicContact CD1-CG 4.38Å; L757-L761 HydrophobicContact CG-CD1 4.32Å; L757-L761 WeakPolarHBondContact O-CG 3.42Å; L757-L761 PolarHBondContact O-N 3.17Å; I758-L761 PolarHBondContact O-N 2.7Å; L761-Y764 WeakPolarHBondContact O-CB 3.38Å; L761-Y764 PolarHBondContact O-N 3.08Å; L761-F765 HydrophobicContact CD2-CE2 4.39Å; L761-F765 WeakPolarHBondContact O-CD2 3.23Å; L761-F765 PolarHBondContact O-N 3.05Å
762R83.2Confident76.1Confident124 Ų12496.1 Ų96.147%0.46848%0.48SS..Hα-helixtrans-58.8-51.8176178.5-160.269.1-158.20110.4I758 T759 Y764 F765 W766I758-R762 WeakPolarHBondContact O-CB 3.43Å; I758-R762 PolarHBondContact O-N 2.78Å; T759-R762 PolarHBondContact O-N 2.85Å; R762-Y764 PolarHBondContact O-N 2.98Å; R762-F765 PolarHBondContact O-N 2.91Å; R762-W766 CarbonylContact O-C 3.59Å; R762-W766 VanDerWaalsContact O-CA 3.32Å; R762-W766 WeakPolarHBondContact O-CA 3.25Å; R762-W766 WeakPolarHBondContact O-CB 3.44Å; R762-W766 PolarHBondContact O-N 3.44Å
763D80Confident73.9Confident57 Ų5795.9 Ų95.931%0.30548%0.48SS..Hα-helixtrans-67.8-25.3-177.4-66.8-6.7000111.4T759 Y760 P767T759-D763 WeakPolarHBondContact O-CB 3.25Å; T759-D763 PolarHBondContact O-N 3.28Å; Y760-D763 PolarHBondContact O-N 2.85Å; D763-P767 WeakPolarHBondContact O-CA 3.46Å
764Y74.6Confident72Confident57 Ų5799.9 Ų99.922%0.22451%0.505CS..Hα-helixtrans-71.8-50.9172-169.8-87.3000113L4 F10 R13 Y760 L761 R762 L778L4-Y764 HydrophobicContact CD1-CE1 3.51Å; L4-Y764 VanDerWaalsContact CD1-OH 3.27Å; L4-Y764 WeakPolarHBondContact CD1-OH 3.45Å; L4-Y764 HydrophobicContact CD2-CD1 3.58Å; L4-Y764 HydrophobicContact CD2-CE1 3.21Å; L4-Y764 HydrophobicContact CG-CE1 3.93Å; F10-Y764 HydrophobicContact CD2-CE1 4.19Å; F10-Y764 HydrophobicContact CD2-CE2 4.13Å; F10-Y764 AromaticContact CD2-CZ 3.86Å; F10-Y764 HydrophobicContact CE2-CD1 4.03Å; F10-Y764 HydrophobicContact CE2-CD2 4.06Å; F10-Y764 AromaticContact CE2-CE1 3.99Å; F10-Y764 HydrophobicContact CE2-CE1 3.99Å; F10-Y764 HydrophobicContact CE2-CE2 4.01Å; F10-Y764 HydrophobicContact CE2-CG 4.07Å; F10-Y764 AromaticContact CE2-CZ 3.95Å; R13-Y764 PolarHBondContact NH2-OH 3.36Å; Y760-Y764 WeakPolarHBondContact O-CB 3.46Å; Y760-Y764 PolarHBondContact O-N 2.78Å; L761-Y764 WeakPolarHBondContact O-CB 3.38Å; L761-Y764 PolarHBondContact O-N 3.08Å; R762-Y764 PolarHBondContact O-N 2.98Å; Y764-L778 HydrophobicContact CE1-CD2 4.28Å
765F77Confident69.7Low71 Ų71102.8 Ų102.831%0.31153%0.526SS..Hα-helixtrans-77.6-30.7-178.1-74.9-67.6000112.9M1 L4 L761 R762M1-F765 HydrophobicContact CB-CZ 4.35Å; M1-F765 HydrophobicContact CG-CZ 3.92Å; L4-F765 HydrophobicContact CD2-CD1 4.41Å; L4-F765 HydrophobicContact CD2-CE1 3.48Å; L4-F765 VanDerWaalsContact CD2-CE1 3.48Å; L4-F765 HydrophobicContact CD2-CE2 4.3Å; L4-F765 HydrophobicContact CD2-CZ 3.4Å; L4-F765 VanDerWaalsContact CD2-CZ 3.4Å; L761-F765 HydrophobicContact CD2-CE2 4.39Å; L761-F765 WeakPolarHBondContact O-CD2 3.23Å; L761-F765 PolarHBondContact O-N 3.05Å; R762-F765 PolarHBondContact O-N 2.91Å
766W78.7Confident67.6Low193 Ų193103.6 Ų103.673%0.73153%0.531SS*.SBendtrans-133.473-179-66.9-80.7000109.8R762R762-W766 CarbonylContact O-C 3.59Å; R762-W766 VanDerWaalsContact O-CA 3.32Å; R762-W766 WeakPolarHBondContact O-CA 3.25Å; R762-W766 WeakPolarHBondContact O-CB 3.44Å; R762-W766 PolarHBondContact O-N 3.44Å
767P75.2Confident65.8Low87 Ų87102.7 Ų102.757%0.56554%0.54SS*.  trans-57.9138.3175.524-33.2000109.9D763 K769D763-P767 WeakPolarHBondContact O-CA 3.46Å; P767-K769 PolarHBondContact O-N 3.42Å
768P70.6Confident64.6Low81 Ų81106.4 Ų106.453%0.52656%0.56SS.*  trans-59.9128.9177.822.2-30.6000109.7N770P768-N770 VanDerWaalsContact C-N 3.32Å; P768-N770 PolarHBondContact O-N 3.43Å
769K66.8Low63.2Low197 Ų197106.1 Ų106.186%0.85756%0.563SS**  trans-68.386.8176.1-66.6-178.4179.8179.90109.7P767P767-K769 PolarHBondContact O-N 3.42Å
770N53.7Low62.3Low118 Ų118111.9 Ų111.963%0.63159%0.587SS**  trans-72.4131.2165.9-80.9-9.9000109.2P768 S772 S773P768-N770 VanDerWaalsContact C-N 3.32Å; P768-N770 PolarHBondContact O-N 3.43Å; N770-S772 PolarHBondContact O-N 2.98Å; N770-S773 PolarHBondContact O-N 2.72Å
771K50.8Low62.3Low222 Ų222112.3 Ų112.397%0.96559%0.588SS**THydrogen-bonded Turntrans-65.515.3-171.2-74.3-176.1176.9178.10116.1
772S50.7Low62.5Low119 Ų119114.5 Ų114.583%0.83260%0.6SS**THydrogen-bonded Turntrans-131.2-2.6175.783.50000115.9N770N770-S772 PolarHBondContact O-N 2.98Å
773S43.5Very low62.9Low79 Ų79114.1 Ų114.155%0.55260%0.602SS**SBendtrans-112.1103.2172.459.50000108.9N770 T775N770-S773 PolarHBondContact O-N 2.72Å; S773-T775 PolarHBondContact O-N 3.41Å; S773-T775 VanDerWaalsContact O-N 3.1Å
774N41.9Very low63.3Low157 Ų157113.4 Ų113.484%0.8460%0.597SS**  trans-48.8120.4165.9-74.3-26.2000108.6T776N774-T776 PolarHBondContact O-N 2.98Å
775T38.6Very low63.9Low126 Ų126111.2 Ų111.277%0.77359%0.589SS**  trans-19.888.5172.4-48.50000113.2S773 A777S773-T775 PolarHBondContact O-N 3.41Å; S773-T775 VanDerWaalsContact O-N 3.1Å; T775-A777 PolarHBondContact O-N 3.44Å
776T43.3Very low64.6Low99 Ų99110.5 Ų110.561%0.60759%0.585SS**  trans-81.187.2164.9-40000105.3N774 L778 T779N774-T776 PolarHBondContact O-N 2.98Å; T776-L778 PolarHBondContact O-N 2.94Å; T776-T779 HydrophobicContact CG2-CG2 3.53Å
777A45.2Very low65.3Low78 Ų78102.1 Ų102.165%0.64556%0.555SS**  trans-45.4110.3169.300000108.7T775 T779T775-A777 PolarHBondContact O-N 3.44Å; A777-T779 WeakPolarHBondContact O-CA 3.37Å; A777-T779 PolarHBondContact O-N 3.02Å
778L52.9Low66.1Low137 Ų13799.6 Ų99.672%0.71753%0.534SS*.SBendtrans15.359.8173.4-70167.7000113.5Y764 T776 E780Y764-L778 HydrophobicContact CE1-CD2 4.28Å; T776-L778 PolarHBondContact O-N 2.94Å; L778-E780 PolarHBondContact O-N 3.11Å
779T57.7Low67Low95 Ų9596.1 Ų96.158%0.58351%0.511SS*.PPolyproline II helixtrans-62.9130.3-17330.70000107.2T776 A777 R781T776-T779 HydrophobicContact CG2-CG2 3.53Å; A777-T779 WeakPolarHBondContact O-CA 3.37Å; A777-T779 PolarHBondContact O-N 3.02Å; T779-R781 PolarHBondContact O-N 3.48Å
780E65Low68.3Low166 Ų16689.6 Ų89.678%0.77648%0.481SS*.PPolyproline II helixtrans-52.1120.3176.1-174.1177178.400108L778 D782 K786L778-E780 PolarHBondContact O-N 3.11Å; E780-D782 PolarHBondContact O-N 3.24Å; E780-K786 IonicContact OE1-NZ 2.6Å; E780-K786 PolarHBondContact OE1-NZ 3Å
781R78.5Confident70.1Confident42 Ų4284 Ų8416%0.15845%0.452CS..PPolyproline II helixtrans-59.8140.9-177.9-76.9164.661.9100.9-5.4109.6D9 T779 K783 M785 K786 T789D9-R781 IonicContact OD1-NE 2.67Å; D9-R781 VanDerWaalsContact OD2-CD 3.26Å; D9-R781 WeakPolarHBondContact OD2-CD 3.49Å; D9-R781 IonicContact OD2-CZ 3.31Å; D9-R781 IonicContact OD2-NE 3.4Å; D9-R781 PolarHBondContact OD2-NE 3.03Å; T779-R781 PolarHBondContact O-N 3.48Å; R781-K783 PolarHBondContact O-N 3.21Å; R781-M785 HydrophobicContact CG-SD 4.37Å; R781-M785 PolarHBondContact NH1-SD 2.83Å; R781-M785 VanDerWaalsContact NH1-SD 3.43Å; R781-M785 PolarHBondContact NH2-SD 2.8Å; R781-M785 VanDerWaalsContact NH2-SD 3.42Å; R781-K786 HydrophobicContact CB-CG 4.18Å; R781-K786 WeakPolarHBondContact O-CE 2.82Å; R781-T789 PolarHBondContact NH2-OG1 3.48Å; R781-T789 VanDerWaalsContact NH2-OG1 3.1Å
782D84.5Confident71.9Confident100 Ų10075.3 Ų75.354%0.53542%0.415SS..PPolyproline II helixtrans-52.7137.9175.3-178.915.8000110.9E780 E784 M785 K786E780-D782 PolarHBondContact O-N 3.24Å; D782-E784 PolarHBondContact O-N 3.08Å; D782-E784 PolarHBondContact OD1-N 3.09Å; D782-M785 HydrophobicContact CB-CB 4.38Å; D782-M785 WeakPolarHBondContact O-CA 2.9Å; D782-M785 WeakPolarHBondContact O-CB 3.37Å; D782-M785 PolarHBondContact O-N 3.28Å; D782-K786 PolarHBondContact O-N 2.86Å
783K90.9Very high73.8Confident115 Ų11569.6 Ų69.650%0.538%0.375SS..Hα-helixtrans-54.5-40.7179.6-175.8-179.8177-176.50110.6E40 R781 M785 K786 L787E40-K783 IonicContact OE1-NZ 2.77Å; E40-K783 PolarHBondContact OE1-NZ 3.49Å; E40-K783 WeakPolarHBondContact OE2-CE 3.28Å; E40-K783 IonicContact OE2-NZ 3.18Å; E40-K783 PolarHBondContact OE2-NZ 2.92Å; R781-K783 PolarHBondContact O-N 3.21Å; K783-M785 VanDerWaalsContact C-N 3.3Å; K783-M785 PolarHBondContact O-N 3.44Å; K783-K786 PolarHBondContact O-N 3.22Å; K783-L787 HydrophobicContact CG-CD1 4.21Å; K783-L787 WeakPolarHBondContact O-CG 3.32Å; K783-L787 PolarHBondContact O-N 3.18Å
784E90.2Very high76Confident43 Ų4366.5 Ų66.520%0.20135%0.351CS..Hα-helixtrans-62.2-37.4176.5171.6158.3-163.100112.3V44 R47 D782 R788V44-E784 HydrophobicContact CB-CG 4.47Å; V44-E784 HydrophobicContact CG1-CG 3.67Å; V44-E784 HydrophobicContact CG2-CB 4.21Å; V44-E784 HydrophobicContact CG2-CG 4Å; R47-E784 IonicContact CZ-OE2 3.22Å; R47-E784 IonicContact NH1-OE1 3.86Å; R47-E784 PolarHBondContact NH1-OE1 3.28Å; R47-E784 VanDerWaalsContact NH1-OE1 3.12Å; R47-E784 IonicContact NH1-OE2 2.99Å; R47-E784 PolarHBondContact NH1-OE2 2.81Å; D782-E784 PolarHBondContact O-N 3.08Å; D782-E784 PolarHBondContact OD1-N 3.09Å; E784-R788 WeakPolarHBondContact O-CG 3.33Å; E784-R788 PolarHBondContact O-N 3.19Å; E784-R788 VanDerWaalsContact O-N 3.13Å; E784-R788 PolarHBondContact O-NE 3.46Å
785M86.5Confident78.2Confident11 Ų1159 Ų595%0.05431%0.312CS..Hα-helixtrans-67.7-43.3175-164.4-175-176.800111.5V630 P631 L634 R781 D782 K783 L787 R788 T789V630-M785 HydrophobicContact CB-CE 4.46Å; V630-M785 HydrophobicContact CG1-CE 3.36Å; P631-M785 HydrophobicContact CB-CE 3.57Å; P631-M785 HydrophobicContact CB-SD 4.05Å; P631-M785 HydrophobicContact CG-CE 3.47Å; P631-M785 VanDerWaalsContact CG-CE 3.47Å; P631-M785 HydrophobicContact CG-CG 4.43Å; P631-M785 HydrophobicContact CG-SD 3.48Å; P631-M785 WeakPolarHBondContact CG-SD 3.37Å; L634-M785 HydrophobicContact CD1-CE 4.22Å; R781-M785 HydrophobicContact CG-SD 4.37Å; R781-M785 PolarHBondContact NH1-SD 2.83Å; R781-M785 VanDerWaalsContact NH1-SD 3.43Å; R781-M785 PolarHBondContact NH2-SD 2.8Å; R781-M785 VanDerWaalsContact NH2-SD 3.42Å; D782-M785 HydrophobicContact CB-CB 4.38Å; D782-M785 WeakPolarHBondContact O-CA 2.9Å; D782-M785 WeakPolarHBondContact O-CB 3.37Å; D782-M785 PolarHBondContact O-N 3.28Å; K783-M785 VanDerWaalsContact C-N 3.3Å; K783-M785 PolarHBondContact O-N 3.44Å; M785-L787 VanDerWaalsContact C-N 3.34Å; M785-L787 PolarHBondContact O-N 2.86Å; M785-R788 PolarHBondContact O-N 2.92Å; M785-T789 PolarHBondContact O-N 2.99Å; M785-T789 PolarHBondContact O-OG1 2.86Å
786K91.7Very high80.5Confident56 Ų5653.3 Ų53.324%0.24328%0.276CS..Hα-helixtrans-59.3-43.9176.7-63-178.5-178.8170.20111.5D9 E780 R781 D782 K783 R788 T789 R790D9-K786 HydrophobicContact CB-CD 4.41Å; D9-K786 HydrophobicContact CB-CG 4.17Å; D9-K786 WeakPolarHBondContact OD1-CA 3.37Å; E780-K786 IonicContact OE1-NZ 2.6Å; E780-K786 PolarHBondContact OE1-NZ 3Å; R781-K786 HydrophobicContact CB-CG 4.18Å; R781-K786 WeakPolarHBondContact O-CE 2.82Å; D782-K786 PolarHBondContact O-N 2.86Å; K783-K786 PolarHBondContact O-N 3.22Å; K786-R788 PolarHBondContact O-N 3.27Å; K786-T789 WeakPolarHBondContact O-CB 3.18Å; K786-T789 PolarHBondContact O-N 3.43Å; K786-R790 WeakPolarHBondContact O-CG 3.12Å; K786-R790 PolarHBondContact O-N 3.04Å; K786-R790 VanDerWaalsContact O-N 3.09Å
787L93.8Very high82.6Confident17 Ų1749.6 Ų49.69%0.08925%0.253CS..Hα-helixtrans-62.5-41.1177.1-70.6169.5000112.3E40 E41 V44 K783 M785 R790 V791E40-L787 HydrophobicContact CB-CD1 3.96Å; E40-L787 HydrophobicContact CB-CD2 4.5Å; E41-L787 HydrophobicContact CB-CD2 4.09Å; V44-L787 HydrophobicContact CB-CB 4.49Å; V44-L787 HydrophobicContact CG1-CB 4.47Å; V44-L787 HydrophobicContact CG2-CB 4.27Å; V44-L787 HydrophobicContact CG2-CD1 3.67Å; K783-L787 HydrophobicContact CG-CD1 4.21Å; K783-L787 WeakPolarHBondContact O-CG 3.32Å; K783-L787 PolarHBondContact O-N 3.18Å; M785-L787 VanDerWaalsContact C-N 3.34Å; M785-L787 PolarHBondContact O-N 2.86Å; L787-R790 WeakPolarHBondContact O-CB 3.42Å; L787-R790 PolarHBondContact O-N 2.86Å; L787-V791 PolarHBondContact O-N 3.32Å
788R90.9Very high84.5Confident33 Ų3346.3 Ų46.313%0.12522%0.224CC..Hα-helixtrans-65.2-40.4173.8-70.6178.4-69.8152.4-5.3112.6V44 S629 E784 M785 K786 R790 V791 L792V44-R788 HydrophobicContact CG1-CG 3.52Å; S629-R788 PolarHBondContact O-NH1 3.36Å; E784-R788 WeakPolarHBondContact O-CG 3.33Å; E784-R788 PolarHBondContact O-N 3.19Å; E784-R788 VanDerWaalsContact O-N 3.13Å; E784-R788 PolarHBondContact O-NE 3.46Å; M785-R788 PolarHBondContact O-N 2.92Å; K786-R788 PolarHBondContact O-N 3.27Å; R788-R790 PolarHBondContact O-N 3.32Å; R788-V791 PolarHBondContact O-N 3.01Å; R788-L792 PolarHBondContact O-N 2.94Å
789T89.7Confident86.1Confident9 Ų940.1 Ų40.16%0.05519%0.194CC..Hα-helixtrans-58.1-38174.4-42.80000111.1D9 N12 R13 R781 M785 K786 L792 C793D9-T789 PolarHBondContact OD1-OG1 2.95Å; N12-T789 HydrophobicContact CB-CG2 3.85Å; R13-T789 HydrophobicContact CB-CG2 4.46Å; R13-T789 HydrophobicContact CG-CG2 3.57Å; R781-T789 PolarHBondContact NH2-OG1 3.48Å; R781-T789 VanDerWaalsContact NH2-OG1 3.1Å; M785-T789 PolarHBondContact O-N 2.99Å; M785-T789 PolarHBondContact O-OG1 2.86Å; K786-T789 WeakPolarHBondContact O-CB 3.18Å; K786-T789 PolarHBondContact O-N 3.43Å; T789-L792 WeakPolarHBondContact O-CB 3.44Å; T789-L792 PolarHBondContact O-N 3.13Å; T789-C793 WeakPolarHBondContact O-CB 3.11Å; T789-C793 PolarHBondContact O-N 3.27Å
790R93.5Very high87.2Confident60 Ų6039 Ų3923%0.22619%0.19CC..Hα-helixtrans-63.3-44.7178.1-70.6170.559.589.2-2.8112.4E41 K786 L787 R788 L792 C793 R794 F822E41-R790 IonicContact OE2-NE 3.64Å; E41-R790 PolarHBondContact OE2-NE 2.9Å; K786-R790 WeakPolarHBondContact O-CG 3.12Å; K786-R790 PolarHBondContact O-N 3.04Å; K786-R790 VanDerWaalsContact O-N 3.09Å; L787-R790 WeakPolarHBondContact O-CB 3.42Å; L787-R790 PolarHBondContact O-N 2.86Å; R788-R790 PolarHBondContact O-N 3.32Å; R790-L792 VanDerWaalsContact C-N 3.3Å; R790-L792 PolarHBondContact O-N 3.33Å; R790-C793 PolarHBondContact O-N 3.49Å; R790-R794 PolarHBondContact O-N 3.37Å; R790-R794 PolarHBondContact O-NH1 2.72Å; R790-F822 HydrophobicContact CB-CZ 4.17Å; R790-F822 HydrophobicContact CG-CZ 4.47Å
791V92Very high87.9Confident1 Ų132 Ų321%0.00616%0.158CC..Hα-helixtrans-60.4-44.4174.9-178.40000110.2F29 L33 E41 V45 M627 L787 R788 R794 T795F29-V791 HydrophobicContact CD2-CG1 4.07Å; F29-V791 HydrophobicContact CE2-CG1 3.62Å; L33-V791 HydrophobicContact CD2-CG1 3.89Å; L33-V791 HydrophobicContact CD2-CG2 4.46Å; L33-V791 HydrophobicContact CG-CG1 4.46Å; E41-V791 HydrophobicContact CG-CG2 3.39Å; E41-V791 WeakPolarHBondContact OE1-CG2 3.04Å; V45-V791 HydrophobicContact CG2-CG2 4.01Å; M627-V791 HydrophobicContact CE-CB 4.17Å; M627-V791 HydrophobicContact CE-CG1 4.08Å; L787-V791 PolarHBondContact O-N 3.32Å; R788-V791 PolarHBondContact O-N 3.01Å; V791-R794 PolarHBondContact O-N 3.34Å; V791-T795 WeakPolarHBondContact O-CB 3.36Å; V791-T795 PolarHBondContact O-N 3.25Å; V791-T795 PolarHBondContact O-OG1 3.2Å
792L89.3Confident87.9Confident38 Ų3832.6 Ų32.620%0.19917%0.169CC..Hα-helixtrans-60-47.9177.2-176.159.4000111.5A16 Y24 M627 R788 T789 R790 T795 V796A16-L792 HydrophobicContact CB-CD2 3.9Å; A16-L792 HydrophobicContact CB-CG 4.08Å; Y24-L792 HydrophobicContact CD2-CD1 4.29Å; Y24-L792 HydrophobicContact CE2-CD1 4.3Å; M627-L792 HydrophobicContact CE-CB 3.62Å; M627-L792 HydrophobicContact CE-CD1 4.07Å; M627-L792 HydrophobicContact CE-CG 4.41Å; M627-L792 HydrophobicContact SD-CD1 4.33Å; R788-L792 PolarHBondContact O-N 2.94Å; T789-L792 WeakPolarHBondContact O-CB 3.44Å; T789-L792 PolarHBondContact O-N 3.13Å; R790-L792 VanDerWaalsContact C-N 3.3Å; R790-L792 PolarHBondContact O-N 3.33Å; L792-T795 WeakPolarHBondContact O-CB 3.4Å; L792-T795 PolarHBondContact O-N 3.14Å; L792-T795 VanDerWaalsContact O-N 3.14Å; L792-V796 HydrophobicContact CD1-CG1 4.29Å; L792-V796 WeakPolarHBondContact O-CG2 3.16Å; L792-V796 PolarHBondContact O-N 3.46Å
793C89.6Confident87.3Confident0 Ų034.7 Ų34.70%018%0.176CC..Hα-helixtrans-58.4-49.1178.6-175.90000111.5N12 T789 R790 T795 V796 L797 F822N12-C793 HydrophobicContact CB-CB 3.8Å; N12-C793 PolarHBondContact OD1-SG 3.31Å; T789-C793 WeakPolarHBondContact O-CB 3.11Å; T789-C793 PolarHBondContact O-N 3.27Å; R790-C793 PolarHBondContact O-N 3.49Å; C793-T795 VanDerWaalsContact C-N 3.28Å; C793-T795 PolarHBondContact O-N 2.61Å; C793-V796 WeakPolarHBondContact O-CG2 3.41Å; C793-V796 PolarHBondContact O-N 3.36Å; C793-L797 WeakPolarHBondContact O-CB 3.44Å; C793-L797 VanDerWaalsContact O-CG 3.29Å; C793-L797 WeakPolarHBondContact O-CG 3.43Å; C793-L797 PolarHBondContact O-N 2.99Å; C793-F822 HydrophobicContact CB-CE2 4.17Å
794R90.8Very high86.3Confident13 Ų1335.5 Ų35.55%0.04918%0.181CC..Hα-helixtrans-58.1-41.8174.4-74.8-167.6-153.381.6-12.5112.4A32 E41 R790 V791 L797 L798 F822A32-R794 HydrophobicContact CB-CB 3.86Å; E41-R794 IonicContact OE1-CZ 3.81Å; E41-R794 IonicContact OE1-NH1 2.98Å; E41-R794 PolarHBondContact OE1-NH1 3.48Å; E41-R794 IonicContact OE1-NH2 3.47Å; E41-R794 PolarHBondContact OE1-NH2 3.4Å; E41-R794 IonicContact OE2-CZ 2.99Å; E41-R794 VanDerWaalsContact OE2-CZ 3.3Å; E41-R794 IonicContact OE2-NH1 3.99Å; E41-R794 PolarHBondContact OE2-NH1 2.74Å; E41-R794 IonicContact OE2-NH2 2.72Å; E41-R794 PolarHBondContact OE2-NH2 2.82Å; R790-R794 PolarHBondContact O-N 3.37Å; R790-R794 PolarHBondContact O-NH1 2.72Å; V791-R794 PolarHBondContact O-N 3.34Å; R794-L797 PolarHBondContact O-N 3.38Å; R794-L798 WeakPolarHBondContact O-CG 3.47Å; R794-L798 PolarHBondContact O-N 3.47Å; R794-F822 HydrophobicContact CB-CD2 4.38Å; R794-F822 HydrophobicContact CG-CB 4.3Å; R794-F822 HydrophobicContact CG-CD1 3.72Å; R794-F822 HydrophobicContact CG-CD2 3.31Å; R794-F822 HydrophobicContact CG-CE1 3.85Å; R794-F822 HydrophobicContact CG-CE2 3.4Å; R794-F822 VanDerWaalsContact CG-CE2 3.4Å; R794-F822 HydrophobicContact CG-CG 3.47Å; R794-F822 VanDerWaalsContact CG-CG 3.47Å; R794-F822 HydrophobicContact CG-CZ 3.68Å; R794-F822 VanDerWaalsContact NE-CD1 3.28Å; R794-F822 VanDerWaalsContact NE-CZ 3.34Å; R794-F822 VanDerWaalsContact NH2-CE1 3.31Å
795T88.7Confident85.5Confident0 Ų036.5 Ų36.50%019%0.185CC..Hα-helixtrans-61.6-48.1-179.6-57.10000111.4Y24 F29 A32 V791 L792 C793 L798 G799Y24-T795 HydrophobicContact CD2-CG2 3.6Å; Y24-T795 HydrophobicContact CE2-CG2 3.72Å; F29-T795 HydrophobicContact CB-CG2 3.95Å; A32-T795 WeakPolarHBondContact CB-OG1 3.02Å; V791-T795 WeakPolarHBondContact O-CB 3.36Å; V791-T795 PolarHBondContact O-N 3.25Å; V791-T795 PolarHBondContact O-OG1 3.2Å; L792-T795 WeakPolarHBondContact O-CB 3.4Å; L792-T795 PolarHBondContact O-N 3.14Å; L792-T795 VanDerWaalsContact O-N 3.14Å; C793-T795 VanDerWaalsContact C-N 3.28Å; C793-T795 PolarHBondContact O-N 2.61Å; T795-L798 PolarHBondContact O-N 2.9Å; T795-G799 PolarHBondContact O-N 2.76Å; T795-G799 VanDerWaalsContact O-N 3.12Å
796V86.1Confident85Confident6 Ų636.5 Ų36.54%0.03619%0.186CC..Hα-helixtrans-71.6-31-179.6-60.10000112.4I15 A19 L792 C793 G799 S800I15-V796 HydrophobicContact CG2-CG2 4.08Å; A19-V796 HydrophobicContact CB-CB 3.84Å; A19-V796 HydrophobicContact CB-CG2 3.99Å; L792-V796 HydrophobicContact CD1-CG1 4.29Å; L792-V796 WeakPolarHBondContact O-CG2 3.16Å; L792-V796 PolarHBondContact O-N 3.46Å; C793-V796 WeakPolarHBondContact O-CG2 3.41Å; C793-V796 PolarHBondContact O-N 3.36Å; V796-G799 CarbonylContact O-C 3.58Å; V796-G799 PolarHBondContact O-N 2.71Å; V796-S800 WeakPolarHBondContact O-CB 3.44Å; V796-S800 PolarHBondContact O-N 2.93Å
797L87.7Confident84Confident22 Ų2237.3 Ų37.312%0.11519%0.191CC..Hα-helixtrans-65.8-40.3173.6-73.5172.2000111.4I15 C793 R794 G799 S800 V818 F822I15-L797 HydrophobicContact CG2-CD2 3.88Å; I15-L797 HydrophobicContact CG2-CG 4.13Å; C793-L797 WeakPolarHBondContact O-CB 3.44Å; C793-L797 VanDerWaalsContact O-CG 3.29Å; C793-L797 WeakPolarHBondContact O-CG 3.43Å; C793-L797 PolarHBondContact O-N 2.99Å; R794-L797 PolarHBondContact O-N 3.38Å; L797-G799 VanDerWaalsContact C-N 3.35Å; L797-S800 WeakPolarHBondContact O-CB 3.47Å; L797-S800 PolarHBondContact O-N 2.76Å; L797-S800 PolarHBondContact O-OG 3.35Å; L797-V818 HydrophobicContact CB-CG1 3.74Å; L797-F822 HydrophobicContact CD1-CB 3.94Å; L797-F822 HydrophobicContact CD1-CD2 4.01Å; L797-F822 HydrophobicContact CD1-CG 4.49Å
798L85.5Confident82.8Confident8 Ų838.2 Ų38.24%0.04219%0.194CC..Hα-helixtrans-61.1-44.7172.9-74.9166.7000111.4Y28 Q31 A32 M35 R794 T795 S800 V801 R815 V818Y28-L798 HydrophobicContact CD1-CB 3.83Å; Y28-L798 HydrophobicContact CG-CB 4.12Å; Q31-L798 HydrophobicContact CB-CD1 4.02Å; Q31-L798 HydrophobicContact CG-CD1 3.99Å; A32-L798 HydrophobicContact CB-CD1 4.09Å; M35-L798 HydrophobicContact CE-CD2 4.46Å; M35-L798 HydrophobicContact SD-CD1 3.94Å; M35-L798 HydrophobicContact SD-CD2 3.96Å; M35-L798 HydrophobicContact SD-CG 4.46Å; R794-L798 WeakPolarHBondContact O-CG 3.47Å; R794-L798 PolarHBondContact O-N 3.47Å; T795-L798 PolarHBondContact O-N 2.9Å; L798-S800 PolarHBondContact O-N 3.48Å; L798-V801 PolarHBondContact O-N 2.91Å; L798-R815 HydrophobicContact CD2-CG 4.47Å; L798-V818 HydrophobicContact CD2-CB 4.05Å; L798-V818 HydrophobicContact CD2-CG1 3.86Å; L798-V818 HydrophobicContact CD2-CG2 4.27Å; L798-V818 HydrophobicContact CG-CG1 3.93Å
799G84.8Confident81.8Confident7 Ų737 Ų377%0.07219%0.19CC..Hα-helixtrans-70.5-14.7176.400000114.9A23 T795 V796 L797 V801A23-G799 WeakPolarHBondContact CB-O 3.27Å; T795-G799 PolarHBondContact O-N 2.76Å; T795-G799 VanDerWaalsContact O-N 3.12Å; V796-G799 CarbonylContact O-C 3.58Å; V796-G799 PolarHBondContact O-N 2.71Å; L797-G799 VanDerWaalsContact C-N 3.35Å; G799-V801 VanDerWaalsContact C-N 3.26Å; G799-V801 PolarHBondContact O-N 3.42Å
800S81.3Confident80.9Confident73 Ų7336.6 Ų36.651%0.5119%0.188SC..THydrogen-bonded Turntrans-74.6-17.4177.375.90000113.4V796 L797 L798V796-S800 WeakPolarHBondContact O-CB 3.44Å; V796-S800 PolarHBondContact O-N 2.93Å; L797-S800 WeakPolarHBondContact O-CB 3.47Å; L797-S800 PolarHBondContact O-N 2.76Å; L797-S800 PolarHBondContact O-OG 3.35Å; L798-S800 PolarHBondContact O-N 3.48Å
801V80.5Confident80Confident17 Ų1736.8 Ų36.810%0.10319%0.194CC..SBendtrans-87.3124.9172.4-171.30000108L798 G799 F805 A806 T814 V818L798-V801 PolarHBondContact O-N 2.91Å; G799-V801 VanDerWaalsContact C-N 3.26Å; G799-V801 PolarHBondContact O-N 3.42Å; V801-F805 HydrophobicContact CG1-CD1 3.7Å; V801-F805 HydrophobicContact CG1-CE1 4.41Å; V801-A806 HydrophobicContact CG1-CB 4.18Å; V801-T814 HydrophobicContact CB-CG2 4.1Å; V801-T814 HydrophobicContact CG1-CG2 3.83Å; V801-T814 HydrophobicContact CG2-CG2 4.16Å; V801-V818 HydrophobicContact CG2-CG2 3.73Å
802S78.3Confident79.2Confident56 Ų5638.7 Ų38.739%0.39220%0.203SC..  trans-66150.7178.394.60000111.1E804 F805 A806S802-E804 VanDerWaalsContact C-N 3.29Å; S802-E804 VanDerWaalsContact CB-OE2 3.26Å; S802-E804 WeakPolarHBondContact CB-OE2 3.33Å; S802-E804 PolarHBondContact O-N 3.46Å; S802-E804 PolarHBondContact OG-OE2 2.88Å; S802-F805 PolarHBondContact O-N 3.25Å; S802-F805 PolarHBondContact OG-N 3.47Å; S802-A806 WeakPolarHBondContact O-CB 3.27Å; S802-A806 PolarHBondContact O-N 3Å
803E71.4Confident78.5Confident144 Ų14437.2 Ų37.267%0.67320%0.195SC*.Hα-helixtrans-61.9-38.4-179.7-172.4173.8179.900111.5F805 A806 Q807E803-F805 PolarHBondContact O-N 2.91Å; E803-A806 PolarHBondContact O-N 2.89Å; E803-Q807 VanDerWaalsContact O-CB 3.31Å; E803-Q807 WeakPolarHBondContact O-CB 3.48Å; E803-Q807 PolarHBondContact O-N 3.5Å
804E69.1Low78.1Confident131 Ų13137.6 Ų37.661%0.61220%0.198SC*.Hα-helixtrans-66.8-39.6178.7-5180.8-177.400111.6S802 Q807 F808S802-E804 VanDerWaalsContact C-N 3.29Å; S802-E804 VanDerWaalsContact CB-OE2 3.26Å; S802-E804 WeakPolarHBondContact CB-OE2 3.33Å; S802-E804 PolarHBondContact O-N 3.46Å; S802-E804 PolarHBondContact OG-OE2 2.88Å; E804-Q807 PolarHBondContact O-N 2.87Å; E804-F808 PolarHBondContact O-N 3.48Å; E804-F808 VanDerWaalsContact O-N 3.16Å
805F74.7Confident77.8Confident65 Ų6537.9 Ų37.929%0.28520%0.199SC..Hα-helixtrans-72.4-39.2177-176.4-124.2000111.5V704 F708 V801 S802 E803 Q807 F808 L809V704-F805 HydrophobicContact CG1-CZ 3.79Å; V704-F805 HydrophobicContact CG2-CZ 4.38Å; F708-F805 AromaticContact CE2-CE1 3.8Å; F708-F805 HydrophobicContact CE2-CE1 3.8Å; F708-F805 HydrophobicContact CE2-CZ 4.18Å; F708-F805 HydrophobicContact CZ-CE1 4.07Å; V801-F805 HydrophobicContact CG1-CD1 3.7Å; V801-F805 HydrophobicContact CG1-CE1 4.41Å; S802-F805 PolarHBondContact O-N 3.25Å; S802-F805 PolarHBondContact OG-N 3.47Å; E803-F805 PolarHBondContact O-N 2.91Å; F805-Q807 VanDerWaalsContact C-N 3.32Å; F805-Q807 PolarHBondContact O-N 2.96Å; F805-F808 PolarHBondContact O-N 2.83Å; F805-L809 HydrophobicContact CD1-CD1 4Å; F805-L809 HydrophobicContact CD2-CG 4.45Å; F805-L809 HydrophobicContact CE1-CD1 3.46Å; F805-L809 VanDerWaalsContact CE1-CD1 3.46Å; F805-L809 HydrophobicContact CE1-CG 4.28Å; F805-L809 HydrophobicContact CE2-CD1 4.11Å; F805-L809 HydrophobicContact CE2-CD2 4.26Å; F805-L809 HydrophobicContact CE2-CG 4.05Å; F805-L809 HydrophobicContact CZ-CD1 3.52Å; F805-L809 HydrophobicContact CZ-CD2 4.17Å; F805-L809 HydrophobicContact CZ-CG 3.95Å; F805-L809 WeakPolarHBondContact O-CG 3.28Å; F805-L809 PolarHBondContact O-N 3.37Å
806A75.1Confident77.5Confident10 Ų1042.1 Ų42.18%0.08322%0.215CC..Hα-helixtrans-62-4017300000111.7V801 S802 E803 F808 L809 G810 T814V801-A806 HydrophobicContact CG1-CB 4.18Å; S802-A806 WeakPolarHBondContact O-CB 3.27Å; S802-A806 PolarHBondContact O-N 3Å; E803-A806 PolarHBondContact O-N 2.89Å; A806-F808 VanDerWaalsContact C-N 3.29Å; A806-F808 PolarHBondContact O-N 3.36Å; A806-L809 PolarHBondContact O-N 2.7Å; A806-G810 CarbonylContact O-C 3.6Å; A806-G810 WeakPolarHBondContact O-CA 3.32Å; A806-G810 PolarHBondContact O-N 3.16Å; A806-T814 WeakPolarHBondContact CA-OG1 3.2Å; A806-T814 HydrophobicContact CB-CG2 4.04Å
807Q71.7Confident77.6Confident74 Ų7441.9 Ų41.935%0.34621%0.213SC..Hα-helixtrans-62.6-35.8175.2-174.9-175.5-5.600111.9V125 D170 E803 E804 F805V125-Q807 WeakPolarHBondContact CG2-O 3.31Å; D170-Q807 PolarHBondContact OD2-NE2 3Å; E803-Q807 VanDerWaalsContact O-CB 3.31Å; E803-Q807 WeakPolarHBondContact O-CB 3.48Å; E803-Q807 PolarHBondContact O-N 3.5Å; E804-Q807 PolarHBondContact O-N 2.87Å; F805-Q807 VanDerWaalsContact C-N 3.32Å; F805-Q807 PolarHBondContact O-N 2.96Å
808F67.2Low77.7Confident35 Ų3541.3 Ų41.315%0.15421%0.211CC..Hα-helixtrans-70.2-41.8175.2-173.6-85.5000112.4V125 L725 E804 F805 A806V125-F808 WeakPolarHBondContact CG2-O 3.31Å; L725-F808 HydrophobicContact CB-CE1 4.19Å; L725-F808 HydrophobicContact CB-CZ 3.89Å; L725-F808 HydrophobicContact CD1-CD2 4.43Å; L725-F808 HydrophobicContact CD1-CE1 4.17Å; L725-F808 HydrophobicContact CD1-CE2 3.79Å; L725-F808 HydrophobicContact CD1-CZ 3.65Å; L725-F808 HydrophobicContact CD2-CD1 3.94Å; L725-F808 HydrophobicContact CD2-CE1 3.5Å; L725-F808 HydrophobicContact CD2-CZ 3.87Å; L725-F808 HydrophobicContact CG-CE1 4.13Å; L725-F808 HydrophobicContact CG-CZ 3.97Å; E804-F808 PolarHBondContact O-N 3.48Å; E804-F808 VanDerWaalsContact O-N 3.16Å; F805-F808 PolarHBondContact O-N 2.83Å; A806-F808 VanDerWaalsContact C-N 3.29Å; A806-F808 PolarHBondContact O-N 3.36Å
809L71.6Confident77.9Confident7 Ų742 Ų424%0.03722%0.216CC..Hα-helixtrans-75.9-33.4-179.2-69.4178.4000113.3F708 L710 R718 F805 A806 T813F708-L809 HydrophobicContact CD1-CD1 3.71Å; F708-L809 HydrophobicContact CD2-CD1 3.84Å; F708-L809 HydrophobicContact CE1-CD1 3.66Å; F708-L809 HydrophobicContact CE2-CD1 3.79Å; F708-L809 HydrophobicContact CG-CD1 3.8Å; F708-L809 HydrophobicContact CZ-CD1 3.69Å; L710-L809 HydrophobicContact CD1-CD2 4.49Å; R718-L809 PolarHBondContact NH2-O 3.28Å; F805-L809 HydrophobicContact CD1-CD1 4Å; F805-L809 HydrophobicContact CD2-CG 4.45Å; F805-L809 HydrophobicContact CE1-CD1 3.46Å; F805-L809 VanDerWaalsContact CE1-CD1 3.46Å; F805-L809 HydrophobicContact CE1-CG 4.28Å; F805-L809 HydrophobicContact CE2-CD1 4.11Å; F805-L809 HydrophobicContact CE2-CD2 4.26Å; F805-L809 HydrophobicContact CE2-CG 4.05Å; F805-L809 HydrophobicContact CZ-CD1 3.52Å; F805-L809 HydrophobicContact CZ-CD2 4.17Å; F805-L809 HydrophobicContact CZ-CG 3.95Å; F805-L809 WeakPolarHBondContact O-CG 3.28Å; F805-L809 PolarHBondContact O-N 3.37Å; A806-L809 PolarHBondContact O-N 2.7Å; L809-T813 HydrophobicContact CB-CG2 4.21Å; L809-T813 PolarHBondContact O-OG1 3.35Å
810G69.1Low78.2Confident1 Ų145 Ų451%0.0124%0.235CC..  trans96.7147.8-164.300000112.6E377 A806 T814E377-G810 VanDerWaalsContact OE1-C 3.26Å; E377-G810 VanDerWaalsContact OE1-CA 3.24Å; E377-G810 WeakPolarHBondContact OE1-CA 3.38Å; A806-G810 CarbonylContact O-C 3.6Å; A806-G810 WeakPolarHBondContact O-CA 3.32Å; A806-G810 PolarHBondContact O-N 3.16Å; G810-T814 VanDerWaalsContact O-CB 3.31Å; G810-T814 WeakPolarHBondContact O-CB 3.44Å; G810-T814 PolarHBondContact O-N 2.97Å; G810-T814 PolarHBondContact O-OG1 3.18Å
811N76.2Confident78.7Confident64 Ų6443 Ų4334%0.34222%0.22SC..Hα-helixtrans-67.8-43.4-174.4-71.7-18.5000111.5E377 D379 T814 R815E377-N811 WeakPolarHBondContact O-CB 3.5Å; E377-N811 PolarHBondContact O-N 3.14Å; D379-N811 WeakPolarHBondContact OD2-CB 3.32Å; D379-N811 PolarHBondContact OD2-ND2 2.81Å; N811-T814 PolarHBondContact O-N 3.04Å; N811-R815 WeakPolarHBondContact O-CB 3.37Å; N811-R815 VanDerWaalsContact O-CG 3.24Å; N811-R815 WeakPolarHBondContact O-CG 3.46Å; N811-R815 PolarHBondContact O-N 2.89Å
812E74.1Confident79.3Confident42 Ų4242.2 Ų42.220%0.19622%0.215CC..Hα-helixtrans-68.8-39.6-178.1-176.254.1-150.600111.6E377 T814 R815 R816E377-E812 PolarHBondContact OE1-N 3.11Å; E812-T814 VanDerWaalsContact C-N 3.34Å; E812-T814 PolarHBondContact O-N 3.01Å; E812-R815 WeakPolarHBondContact O-CB 3.35Å; E812-R815 PolarHBondContact O-N 3.05Å; E812-R815 IonicContact OE2-CZ 2.67Å; E812-R815 VanDerWaalsContact OE2-CZ 3.31Å; E812-R815 IonicContact OE2-NE 3.05Å; E812-R815 PolarHBondContact OE2-NE 3.19Å; E812-R815 IonicContact OE2-NH1 3.31Å; E812-R815 IonicContact OE2-NH2 2.72Å; E812-R816 WeakPolarHBondContact O-CB 3.44Å; E812-R816 PolarHBondContact O-N 3.35Å
813T74.6Confident80.1Confident6 Ų642.4 Ų42.44%0.03721%0.212CC..Hα-helixtrans-57.9-49.9168.9-64.20000111.2E377 F708 R718 L809 R815 R816 G817E377-T813 WeakPolarHBondContact OE1-CA 3.26Å; E377-T813 WeakPolarHBondContact OE1-CB 3.3Å; E377-T813 PolarHBondContact OE1-N 3.38Å; E377-T813 PolarHBondContact OE1-OG1 2.95Å; F708-T813 HydrophobicContact CB-CG2 3.93Å; F708-T813 HydrophobicContact CD1-CG2 3.95Å; F708-T813 HydrophobicContact CG-CG2 4.33Å; R718-T813 PolarHBondContact NH1-OG1 3.14Å; R718-T813 VanDerWaalsContact NH2-CB 3.28Å; R718-T813 PolarHBondContact NH2-OG1 2.99Å; L809-T813 HydrophobicContact CB-CG2 4.21Å; L809-T813 PolarHBondContact O-OG1 3.35Å; T813-R815 VanDerWaalsContact C-N 3.26Å; T813-R815 PolarHBondContact O-N 3.45Å; T813-R816 PolarHBondContact O-N 2.79Å; T813-R816 VanDerWaalsContact O-N 3.11Å; T813-G817 PolarHBondContact O-N 2.99Å
814T81Confident81.1Confident9 Ų940.4 Ų40.46%0.05520%0.203CC..Hα-helixtrans-58.1-45.9-177.2-63.90000109.8V801 A806 G810 N811 E812 G817 V818V801-T814 HydrophobicContact CB-CG2 4.1Å; V801-T814 HydrophobicContact CG1-CG2 3.83Å; V801-T814 HydrophobicContact CG2-CG2 4.16Å; A806-T814 WeakPolarHBondContact CA-OG1 3.2Å; A806-T814 HydrophobicContact CB-CG2 4.04Å; G810-T814 VanDerWaalsContact O-CB 3.31Å; G810-T814 WeakPolarHBondContact O-CB 3.44Å; G810-T814 PolarHBondContact O-N 2.97Å; G810-T814 PolarHBondContact O-OG1 3.18Å; N811-T814 PolarHBondContact O-N 3.04Å; E812-T814 VanDerWaalsContact C-N 3.34Å; E812-T814 PolarHBondContact O-N 3.01Å; T814-G817 PolarHBondContact O-N 3.06Å; T814-V818 WeakPolarHBondContact O-CB 3.4Å; T814-V818 VanDerWaalsContact O-CG2 3.29Å; T814-V818 WeakPolarHBondContact O-CG2 3.48Å; T814-V818 PolarHBondContact O-N 3.2Å
815R84.8Confident82.3Confident19 Ų1935.6 Ų35.67%0.07218%0.182CC..Hα-helixtrans-57.7-49.6173.3-72.2170.253.5166.6-6.1111.8Q31 M35 E96 D379 L798 N811 E812 T813 G817 V818 S819Q31-R815 HydrophobicContact CG-CG 4.32Å; M35-R815 HydrophobicContact CE-CB 3.85Å; M35-R815 HydrophobicContact CE-CG 4.4Å; M35-R815 WeakPolarHBondContact CE-O 3.45Å; M35-R815 HydrophobicContact SD-CB 3.88Å; M35-R815 HydrophobicContact SD-CG 3.77Å; E96-R815 IonicContact OE1-NH2 3.76Å; E96-R815 PolarHBondContact OE1-NH2 2.67Å; E96-R815 IonicContact OE2-NH2 2.59Å; E96-R815 PolarHBondContact OE2-NH2 2.84Å; D379-R815 IonicContact OD1-NH1 3.97Å; L798-R815 HydrophobicContact CD2-CG 4.47Å; N811-R815 WeakPolarHBondContact O-CB 3.37Å; N811-R815 VanDerWaalsContact O-CG 3.24Å; N811-R815 WeakPolarHBondContact O-CG 3.46Å; N811-R815 PolarHBondContact O-N 2.89Å; E812-R815 WeakPolarHBondContact O-CB 3.35Å; E812-R815 PolarHBondContact O-N 3.05Å; E812-R815 IonicContact OE2-CZ 2.67Å; E812-R815 VanDerWaalsContact OE2-CZ 3.31Å; E812-R815 IonicContact OE2-NE 3.05Å; E812-R815 PolarHBondContact OE2-NE 3.19Å; E812-R815 IonicContact OE2-NH1 3.31Å; E812-R815 IonicContact OE2-NH2 2.72Å; T813-R815 VanDerWaalsContact C-N 3.26Å; T813-R815 PolarHBondContact O-N 3.45Å; R815-G817 PolarHBondContact O-N 2.94Å; R815-V818 PolarHBondContact O-N 2.91Å; R815-S819 VanDerWaalsContact O-CB 3.25Å; R815-S819 WeakPolarHBondContact O-CB 3.38Å; R815-S819 PolarHBondContact O-N 2.85Å
816R83.7Confident83.3Confident89 Ų8933.5 Ų33.534%0.33617%0.173SC..Hα-helixtrans-60.3-44.8-179.3-173.8178.968.5144.66.1111.7F708 D709 E812 T813 S819 C820F708-R816 PolarHBondContact O-NH2 2.79Å; D709-R816 PolarHBondContact O-NH2 3.2Å; D709-R816 IonicContact OD2-CZ 3.59Å; D709-R816 IonicContact OD2-NH1 3.94Å; D709-R816 PolarHBondContact OD2-NH1 3.41Å; D709-R816 IonicContact OD2-NH2 3.31Å; D709-R816 PolarHBondContact OD2-NH2 3.1Å; E812-R816 WeakPolarHBondContact O-CB 3.44Å; E812-R816 PolarHBondContact O-N 3.35Å; T813-R816 PolarHBondContact O-N 2.79Å; T813-R816 VanDerWaalsContact O-N 3.11Å; R816-S819 WeakPolarHBondContact O-CB 3.3Å; R816-S819 PolarHBondContact O-N 3.29Å; R816-C820 WeakPolarHBondContact O-CB 3.49Å; R816-C820 PolarHBondContact O-N 2.97Å
817G87.4Confident84.2Confident1 Ų137.9 Ų37.91%0.0119%0.192CC..Hα-helixtrans-67.8-43.3179.100000112.7I707 T813 T814 R815 S819 C820 V821I707-G817 WeakPolarHBondContact O-CA 3.2Å; T813-G817 PolarHBondContact O-N 2.99Å; T814-G817 PolarHBondContact O-N 3.06Å; R815-G817 PolarHBondContact O-N 2.94Å; G817-S819 VanDerWaalsContact C-N 3.31Å; G817-S819 PolarHBondContact O-N 3.47Å; G817-C820 WeakPolarHBondContact O-CB 3.47Å; G817-C820 PolarHBondContact O-N 2.98Å; G817-V821 PolarHBondContact O-N 3.42Å
818V89.4Confident85.4Confident10 Ų1039 Ų396%0.06120%0.197CC..Hα-helixtrans-62.1-40.1172.7170.10000111.4L797 L798 V801 T814 R815 C820 V821 F822L797-V818 HydrophobicContact CB-CG1 3.74Å; L798-V818 HydrophobicContact CD2-CB 4.05Å; L798-V818 HydrophobicContact CD2-CG1 3.86Å; L798-V818 HydrophobicContact CD2-CG2 4.27Å; L798-V818 HydrophobicContact CG-CG1 3.93Å; V801-V818 HydrophobicContact CG2-CG2 3.73Å; T814-V818 WeakPolarHBondContact O-CB 3.4Å; T814-V818 VanDerWaalsContact O-CG2 3.29Å; T814-V818 WeakPolarHBondContact O-CG2 3.48Å; T814-V818 PolarHBondContact O-N 3.2Å; R815-V818 PolarHBondContact O-N 2.91Å; V818-C820 VanDerWaalsContact C-N 3.33Å; V818-C820 PolarHBondContact O-N 3.22Å; V818-V821 PolarHBondContact O-N 2.87Å; V818-F822 WeakPolarHBondContact O-CB 3.3Å; V818-F822 PolarHBondContact O-N 2.75Å
819S90.4Very high86.7Confident21 Ų2147.5 Ų47.515%0.14723%0.228CC..Hα-helixtrans-64.1-38.8175.7-163.60000111.8R815 R816 G817 F822 N823R815-S819 VanDerWaalsContact O-CB 3.25Å; R815-S819 WeakPolarHBondContact O-CB 3.38Å; R815-S819 PolarHBondContact O-N 2.85Å; R816-S819 WeakPolarHBondContact O-CB 3.3Å; R816-S819 PolarHBondContact O-N 3.29Å; G817-S819 VanDerWaalsContact C-N 3.31Å; G817-S819 PolarHBondContact O-N 3.47Å; S819-F822 PolarHBondContact O-N 2.88Å; S819-N823 WeakPolarHBondContact O-CB 3.33Å; S819-N823 PolarHBondContact O-N 2.85Å; S819-N823 PolarHBondContact O-ND2 3.24Å
820C90.1Very high87.7Confident70 Ų7053.6 Ų53.647%0.47325%0.254SS..Hα-helixtrans-58.9-52.6174.9-178.40000110.8R816 G817 V818 F822 N823 M824R816-C820 WeakPolarHBondContact O-CB 3.49Å; R816-C820 PolarHBondContact O-N 2.97Å; G817-C820 WeakPolarHBondContact O-CB 3.47Å; G817-C820 PolarHBondContact O-N 2.98Å; V818-C820 VanDerWaalsContact C-N 3.33Å; V818-C820 PolarHBondContact O-N 3.22Å; C820-F822 PolarHBondContact O-N 2.84Å; C820-N823 PolarHBondContact O-N 2.84Å; C820-M824 WeakPolarHBondContact O-CB 3.49Å; C820-M824 PolarHBondContact O-N 2.91Å
821V92.4Very high89Confident33 Ų3354 Ų5420%0.226%0.256CS..Hα-helixtrans-60-47.7177.8173.80000110.9I707 G817 V818 N823 M824 L825I707-V821 HydrophobicContact CB-CG2 4.31Å; I707-V821 HydrophobicContact CD1-CG2 3.82Å; I707-V821 HydrophobicContact CG1-CG2 3.7Å; I707-V821 HydrophobicContact CG2-CG2 3.73Å; G817-V821 PolarHBondContact O-N 3.42Å; V818-V821 PolarHBondContact O-N 2.87Å; V821-N823 PolarHBondContact O-N 3.46Å; V821-M824 PolarHBondContact O-N 3.17Å; V821-L825 HydrophobicContact CG1-CD1 3.81Å; V821-L825 WeakPolarHBondContact O-CD1 3.41Å; V821-L825 WeakPolarHBondContact O-CG 3.44Å; V821-L825 PolarHBondContact O-N 2.7Å
822F94.1Very high89.9Confident0 Ų056 Ų560%026%0.259CS..Hα-helixtrans-58.3-49.5178.5174.4-93.8000111.4R790 C793 R794 L797 V818 S819 C820 L825 Q826R790-F822 HydrophobicContact CB-CZ 4.17Å; R790-F822 HydrophobicContact CG-CZ 4.47Å; C793-F822 HydrophobicContact CB-CE2 4.17Å; R794-F822 HydrophobicContact CB-CD2 4.38Å; R794-F822 HydrophobicContact CG-CB 4.3Å; R794-F822 HydrophobicContact CG-CD1 3.72Å; R794-F822 HydrophobicContact CG-CD2 3.31Å; R794-F822 HydrophobicContact CG-CE1 3.85Å; R794-F822 HydrophobicContact CG-CE2 3.4Å; R794-F822 VanDerWaalsContact CG-CE2 3.4Å; R794-F822 HydrophobicContact CG-CG 3.47Å; R794-F822 VanDerWaalsContact CG-CG 3.47Å; R794-F822 HydrophobicContact CG-CZ 3.68Å; R794-F822 VanDerWaalsContact NE-CD1 3.28Å; R794-F822 VanDerWaalsContact NE-CZ 3.34Å; R794-F822 VanDerWaalsContact NH2-CE1 3.31Å; L797-F822 HydrophobicContact CD1-CB 3.94Å; L797-F822 HydrophobicContact CD1-CD2 4.01Å; L797-F822 HydrophobicContact CD1-CG 4.49Å; V818-F822 WeakPolarHBondContact O-CB 3.3Å; V818-F822 PolarHBondContact O-N 2.75Å; S819-F822 PolarHBondContact O-N 2.88Å; C820-F822 PolarHBondContact O-N 2.84Å; F822-L825 WeakPolarHBondContact O-CB 3.45Å; F822-L825 PolarHBondContact O-N 3.36Å; F822-L825 VanDerWaalsContact O-N 3.14Å; F822-Q826 HydrophobicContact CD1-CG 3.93Å; F822-Q826 HydrophobicContact CE1-CG 3.38Å; F822-Q826 HydrophobicContact CE2-CG 4.24Å; F822-Q826 HydrophobicContact CZ-CG 3.59Å; F822-Q826 VanDerWaalsContact O-CG 3.23Å; F822-Q826 WeakPolarHBondContact O-CG 3.35Å; F822-Q826 PolarHBondContact O-N 3.3Å; F822-Q826 VanDerWaalsContact O-N 3.11Å; F822-Q826 PolarHBondContact O-NE2 3.29Å
823N93.7Very high90.8Very high60 Ų6062.5 Ų62.532%0.32128%0.282SS..Hα-helixtrans-63.5-41.8-178.6-73-16.8000111.6S819 C820 V821 L825 Q826S819-N823 WeakPolarHBondContact O-CB 3.33Å; S819-N823 PolarHBondContact O-N 2.85Å; S819-N823 PolarHBondContact O-ND2 3.24Å; C820-N823 PolarHBondContact O-N 2.84Å; V821-N823 PolarHBondContact O-N 3.46Å; N823-L825 VanDerWaalsContact C-N 3.27Å; N823-L825 PolarHBondContact O-N 3.44Å; N823-Q826 WeakPolarHBondContact O-CB 3.19Å; N823-Q826 PolarHBondContact O-N 3.29Å
824M93.6Very high91.7Very high101 Ų10168.9 Ų68.950%0.49831%0.309SS..Hα-helixtrans-55.3-43.8172.3-179.2-167.270.100111.4C820 V821 Q826 E827C820-M824 WeakPolarHBondContact O-CB 3.49Å; C820-M824 PolarHBondContact O-N 2.91Å; V821-M824 PolarHBondContact O-N 3.17Å; M824-Q826 PolarHBondContact O-N 2.97Å; M824-E827 PolarHBondContact O-N 3.46Å
825L94Very high92.2Very high30 Ų3069.4 Ų69.416%0.15731%0.312CS..Hα-helixtrans-72.6-13.3179-65.4164.1000113.5V11 I15 V821 F822 N823 E827 N831V11-L825 HydrophobicContact CG1-CB 4.27Å; V11-L825 HydrophobicContact CG1-CD2 3.96Å; I15-L825 HydrophobicContact CD1-CD1 3.49Å; I15-L825 VanDerWaalsContact CD1-CD1 3.49Å; V821-L825 HydrophobicContact CG1-CD1 3.81Å; V821-L825 WeakPolarHBondContact O-CD1 3.41Å; V821-L825 WeakPolarHBondContact O-CG 3.44Å; V821-L825 PolarHBondContact O-N 2.7Å; F822-L825 WeakPolarHBondContact O-CB 3.45Å; F822-L825 PolarHBondContact O-N 3.36Å; F822-L825 VanDerWaalsContact O-N 3.14Å; N823-L825 VanDerWaalsContact C-N 3.27Å; N823-L825 PolarHBondContact O-N 3.44Å; L825-E827 VanDerWaalsContact C-N 3.33Å; L825-N831 PolarHBondContact O-ND2 2.98Å; L825-N831 PolarHBondContact O-OD1 3.02Å
826Q94.8Very high92.6Very high22 Ų2271.5 Ų71.510%0.10332%0.323CS..Hα-helixtrans-82.7-14.5174-56.3-37-74.700112.6P8 N12 F822 N823 M824 E828P8-Q826 WeakPolarHBondContact CG-O 3.17Å; N12-Q826 PolarHBondContact ND2-OE1 2.99Å; N12-Q826 PolarHBondContact OD1-NE2 3.32Å; F822-Q826 HydrophobicContact CD1-CG 3.93Å; F822-Q826 HydrophobicContact CE1-CG 3.38Å; F822-Q826 HydrophobicContact CE2-CG 4.24Å; F822-Q826 HydrophobicContact CZ-CG 3.59Å; F822-Q826 VanDerWaalsContact O-CG 3.23Å; F822-Q826 WeakPolarHBondContact O-CG 3.35Å; F822-Q826 PolarHBondContact O-N 3.3Å; F822-Q826 VanDerWaalsContact O-N 3.11Å; F822-Q826 PolarHBondContact O-NE2 3.29Å; N823-Q826 WeakPolarHBondContact O-CB 3.19Å; N823-Q826 PolarHBondContact O-N 3.29Å; M824-Q826 PolarHBondContact O-N 2.97Å; Q826-E828 PolarHBondContact O-N 3.4Å
827E95.3Very high93Very high102 Ų10270.2 Ų70.248%0.47733%0.325SS..  trans-86.9101.8179.6-71-60.3137.100111.4M824 L825 R829 F830 N831M824-E827 PolarHBondContact O-N 3.46Å; L825-E827 VanDerWaalsContact C-N 3.33Å; E827-R829 PolarHBondContact O-N 2.95Å; E827-R829 VanDerWaalsContact O-N 3.11Å; E827-F830 HydrophobicContact CB-CB 4.2Å; E827-F830 HydrophobicContact CB-CD2 3.43Å; E827-F830 VanDerWaalsContact CB-CD2 3.43Å; E827-F830 HydrophobicContact CB-CE2 4.16Å; E827-F830 HydrophobicContact CB-CG 4.15Å; E827-F830 HydrophobicContact CG-CD2 3.86Å; E827-F830 HydrophobicContact CG-CE2 4.13Å; E827-F830 PolarHBondContact O-N 3.36Å; E827-N831 PolarHBondContact O-N 2.91Å
828E95.5Very high93.1Very high97 Ų9773.8 Ų73.845%0.45335%0.346SS..Hα-helixtrans-54.7-35.7-178.6-171-171.616700112.5S6 P8 Q826 F830 N831 R832S6-E828 WeakPolarHBondContact O-CG 3.19Å; P8-E828 HydrophobicContact CG-CB 4.24Å; Q826-E828 PolarHBondContact O-N 3.4Å; E828-F830 PolarHBondContact O-N 3.43Å; E828-N831 PolarHBondContact O-N 3.28Å; E828-R832 VanDerWaalsContact O-CB 3.23Å; E828-R832 WeakPolarHBondContact O-CB 3.32Å; E828-R832 PolarHBondContact O-N 3.07Å
829R94.4Very high93.1Very high214 Ų21475.8 Ų75.881%0.80836%0.357SS*.Hα-helixtrans-64.2-41.6179.1-67.3-178.6179.8171.21.6112E827 R833E827-R829 PolarHBondContact O-N 2.95Å; E827-R829 VanDerWaalsContact O-N 3.11Å; R829-R833 PolarHBondContact O-N 3.44Å; R829-R833 VanDerWaalsContact O-N 3.09Å
830F93.9Very high92.9Very high134 Ų13480.6 Ų80.659%0.58838%0.377SS*.Hα-helixtrans-70.7-45.2176.6-67-42.3000110.8E827 E828 R832 R833 F834E827-F830 HydrophobicContact CB-CB 4.2Å; E827-F830 HydrophobicContact CB-CD2 3.43Å; E827-F830 VanDerWaalsContact CB-CD2 3.43Å; E827-F830 HydrophobicContact CB-CE2 4.16Å; E827-F830 HydrophobicContact CB-CG 4.15Å; E827-F830 HydrophobicContact CG-CD2 3.86Å; E827-F830 HydrophobicContact CG-CE2 4.13Å; E827-F830 PolarHBondContact O-N 3.36Å; E828-F830 PolarHBondContact O-N 3.43Å; F830-R832 VanDerWaalsContact C-N 3.25Å; F830-R832 PolarHBondContact O-N 3.14Å; F830-R833 PolarHBondContact O-N 3Å; F830-R833 VanDerWaalsContact O-N 3.08Å; F830-F834 WeakPolarHBondContact O-CB 3.43Å; F830-F834 PolarHBondContact O-N 3.01Å
831N95.3Very high92.8Very high9 Ų980.2 Ų80.25%0.04838%0.378CS..Hα-helixtrans-55.9-42.8174.1-64.6-20000111.5S6 L825 E827 E828 R833 F834 V835S6-N831 VanDerWaalsContact O-CB 3.25Å; S6-N831 WeakPolarHBondContact O-CB 3.49Å; S6-N831 PolarHBondContact O-ND2 2.83Å; S6-N831 VanDerWaalsContact O-ND2 3.16Å; L825-N831 PolarHBondContact O-ND2 2.98Å; L825-N831 PolarHBondContact O-OD1 3.02Å; E827-N831 PolarHBondContact O-N 2.91Å; E828-N831 PolarHBondContact O-N 3.28Å; N831-R833 PolarHBondContact O-N 3.47Å; N831-F834 WeakPolarHBondContact O-CB 3.2Å; N831-F834 PolarHBondContact O-N 3.25Å; N831-V835 VanDerWaalsContact O-CG2 3.28Å; N831-V835 WeakPolarHBondContact O-CG2 3.37Å; N831-V835 PolarHBondContact O-N 3.19Å
832R95.4Very high92.5Very high106 Ų10684.4 Ų84.440%0.439%0.394SS..Hα-helixtrans-62.3-44.1177.2-170.5174.6-162.8-84.2-1111.8I2 E828 F830 F834 V835 H836I2-R832 HydrophobicContact CG2-CG 3.94Å; E828-R832 VanDerWaalsContact O-CB 3.23Å; E828-R832 WeakPolarHBondContact O-CB 3.32Å; E828-R832 PolarHBondContact O-N 3.07Å; F830-R832 VanDerWaalsContact C-N 3.25Å; F830-R832 PolarHBondContact O-N 3.14Å; R832-F834 VanDerWaalsContact C-N 3.34Å; R832-V835 PolarHBondContact O-N 3.03Å; R832-H836 PolarHBondContact NH1-NE2 3.22Å; R832-H836 PolarHBondContact O-CD2 3.19Å; R832-H836 PolarHBondContact O-N 3.04Å
833R94.1Very high92.1Very high180 Ų18087.2 Ų87.268%0.67941%0.409SS*.Hα-helixtrans-62.1-45.1175.6178.656178.4-117.62.2110.8R829 F830 N831 V835 H836 T837R829-R833 PolarHBondContact O-N 3.44Å; R829-R833 VanDerWaalsContact O-N 3.09Å; F830-R833 PolarHBondContact O-N 3Å; F830-R833 VanDerWaalsContact O-N 3.08Å; N831-R833 PolarHBondContact O-N 3.47Å; R833-V835 PolarHBondContact O-N 2.85Å; R833-H836 PolarHBondContact O-N 3.17Å; R833-T837 PolarHBondContact O-N 2.73Å; R833-T837 PolarHBondContact O-OG1 3.37Å
834F91.9Very high91.8Very high140 Ų14086.1 Ų86.161%0.61441%0.405SS*.Hα-helixtrans-57.9-48.2177.1-179.5-107.3000111.8F830 N831 R832 H836 T837 V838F830-F834 WeakPolarHBondContact O-CB 3.43Å; F830-F834 PolarHBondContact O-N 3.01Å; N831-F834 WeakPolarHBondContact O-CB 3.2Å; N831-F834 PolarHBondContact O-N 3.25Å; R832-F834 VanDerWaalsContact C-N 3.34Å; F834-H836 VanDerWaalsContact C-N 3.32Å; F834-H836 PolarHBondContact O-N 3.34Å; F834-T837 PolarHBondContact O-N 3.38Å; F834-T837 VanDerWaalsContact O-N 3.16Å; F834-V838 HydrophobicContact CD1-CG2 4.33Å; F834-V838 HydrophobicContact CD2-CG2 4.37Å; F834-V838 HydrophobicContact CE1-CG2 3.93Å; F834-V838 HydrophobicContact CE2-CG2 3.98Å; F834-V838 HydrophobicContact CZ-CG2 3.74Å; F834-V838 WeakPolarHBondContact O-CG2 3.28Å; F834-V838 PolarHBondContact O-N 3.45Å
835V92.6Very high91.4Very high19 Ų1989.7 Ų89.712%0.11541%0.413CS..Hα-helixtrans-58.3-42.9175.81710000111.8I2 L5 N831 R832 R833 V838 L839I2-V835 HydrophobicContact CG1-CG1 4.35Å; I2-V835 HydrophobicContact CG2-CG1 4.39Å; L5-V835 HydrophobicContact CB-CG1 4.04Å; L5-V835 HydrophobicContact CB-CG2 3.64Å; L5-V835 HydrophobicContact CD1-CG1 4.07Å; N831-V835 VanDerWaalsContact O-CG2 3.28Å; N831-V835 WeakPolarHBondContact O-CG2 3.37Å; N831-V835 PolarHBondContact O-N 3.19Å; R832-V835 PolarHBondContact O-N 3.03Å; R833-V835 PolarHBondContact O-N 2.85Å; V835-V838 PolarHBondContact O-N 3.06Å; V835-L839 WeakPolarHBondContact O-CB 3.37Å; V835-L839 PolarHBondContact O-N 3.05Å
836H92.3Very high91.1Very high63 Ų6393.2 Ų93.229%0.29243%0.432SS..Hα-helixtrans-62.5-43.8176.2-76.4-59.7000112.1R832 R833 F834 L839 E840R832-H836 PolarHBondContact NH1-NE2 3.22Å; R832-H836 PolarHBondContact O-CD2 3.19Å; R832-H836 PolarHBondContact O-N 3.04Å; R833-H836 PolarHBondContact O-N 3.17Å; F834-H836 VanDerWaalsContact C-N 3.32Å; F834-H836 PolarHBondContact O-N 3.34Å; H836-L839 PolarHBondContact O-N 2.87Å; H836-E840 VanDerWaalsContact O-CB 3.27Å; H836-E840 WeakPolarHBondContact O-CB 3.42Å; H836-E840 PolarHBondContact O-N 3.22Å
837T91.9Very high90.8Very high63 Ų6395.9 Ų95.939%0.38744%0.443SS..Hα-helixtrans-65.8-42.2178.9-64.20000111.9R833 F834 E840 A841R833-T837 PolarHBondContact O-N 2.73Å; R833-T837 PolarHBondContact O-OG1 3.37Å; F834-T837 PolarHBondContact O-N 3.38Å; F834-T837 VanDerWaalsContact O-N 3.16Å; T837-E840 PolarHBondContact O-N 2.95Å; T837-A841 WeakPolarHBondContact O-CB 3.17Å; T837-A841 PolarHBondContact O-N 2.91Å
838V89.7Confident90.3Very high75 Ų7599 Ų9946%0.45545%0.45SS..Hα-helixtrans-64.3-42.8174.6172.60000111F834 V835 A841 F842F834-V838 HydrophobicContact CD1-CG2 4.33Å; F834-V838 HydrophobicContact CD2-CG2 4.37Å; F834-V838 HydrophobicContact CE1-CG2 3.93Å; F834-V838 HydrophobicContact CE2-CG2 3.98Å; F834-V838 HydrophobicContact CZ-CG2 3.74Å; F834-V838 WeakPolarHBondContact O-CG2 3.28Å; F834-V838 PolarHBondContact O-N 3.45Å; V835-V838 PolarHBondContact O-N 3.06Å; V838-A841 PolarHBondContact O-N 3.22Å; V838-F842 VanDerWaalsContact O-CB 3.32Å; V838-F842 WeakPolarHBondContact O-CB 3.27Å; V838-F842 PolarHBondContact O-N 2.77Å
839L89.5Confident89.9Confident53 Ų5399.6 Ų99.628%0.27746%0.463SS..Hα-helixtrans-65.2-42.4178.6-177.862.9000111.6V835 H836 F842 L843V835-L839 WeakPolarHBondContact O-CB 3.37Å; V835-L839 PolarHBondContact O-N 3.05Å; H836-L839 PolarHBondContact O-N 2.87Å; L839-F842 PolarHBondContact O-N 3.4Å; L839-L843 HydrophobicContact CD1-CD1 4.22Å; L839-L843 HydrophobicContact CD1-CG 4.21Å; L839-L843 HydrophobicContact CG-CD1 3.97Å; L839-L843 HydrophobicContact CG-CG 4.38Å; L839-L843 WeakPolarHBondContact O-CB 3.13Å; L839-L843 WeakPolarHBondContact O-CG 3.45Å; L839-L843 PolarHBondContact O-N 2.73Å
840E86.8Confident89.3Confident122 Ų12296 Ų9657%0.5745%0.45SS*.Hα-helixtrans-57.5-53.1173.9178.4177.9-169.500110.8H836 T837 F842 L843 C844H836-E840 VanDerWaalsContact O-CB 3.27Å; H836-E840 WeakPolarHBondContact O-CB 3.42Å; H836-E840 PolarHBondContact O-N 3.22Å; T837-E840 PolarHBondContact O-N 2.95Å; E840-F842 VanDerWaalsContact C-N 3.32Å; E840-F842 PolarHBondContact O-N 3.48Å; E840-L843 PolarHBondContact O-N 3.33Å; E840-C844 WeakPolarHBondContact O-CB 3.48Å; E840-C844 PolarHBondContact O-N 2.88Å; E840-C844 PolarHBondContact O-SG 3.21Å
841A87.4Confident88.6Confident61 Ų6192 Ų9250%0.50443%0.434SS..Hα-helixtrans-58.7-43.4178.300000112.3T837 V838 R845T837-A841 WeakPolarHBondContact O-CB 3.17Å; T837-A841 PolarHBondContact O-N 2.91Å; V838-A841 PolarHBondContact O-N 3.22Å; A841-R845 WeakPolarHBondContact O-CB 3.47Å; A841-R845 PolarHBondContact O-N 3.31Å
842F86Confident87.8Confident122 Ų12295.9 Ų95.954%0.53546%0.458SS..Hα-helixtrans-61.8-46.5176.7177.8-98.9000112V838 L839 E840 R845 L846V838-F842 VanDerWaalsContact O-CB 3.32Å; V838-F842 WeakPolarHBondContact O-CB 3.27Å; V838-F842 PolarHBondContact O-N 2.77Å; L839-F842 PolarHBondContact O-N 3.4Å; E840-F842 VanDerWaalsContact C-N 3.32Å; E840-F842 PolarHBondContact O-N 3.48Å; F842-R845 PolarHBondContact O-N 2.87Å; F842-L846 HydrophobicContact CE1-CD2 3.83Å; F842-L846 HydrophobicContact CZ-CD2 4.07Å; F842-L846 WeakPolarHBondContact O-CB 3.27Å; F842-L846 PolarHBondContact O-N 3.27Å
843L86.8Confident87.2Confident58 Ų5897.9 Ų97.930%0.30447%0.466SS..Hα-helixtrans-64.7-45179.1-71.8172.9000111.4L839 E840 R845 L846 F847 W854L839-L843 HydrophobicContact CD1-CD1 4.22Å; L839-L843 HydrophobicContact CD1-CG 4.21Å; L839-L843 HydrophobicContact CG-CD1 3.97Å; L839-L843 HydrophobicContact CG-CG 4.38Å; L839-L843 WeakPolarHBondContact O-CB 3.13Å; L839-L843 WeakPolarHBondContact O-CG 3.45Å; L839-L843 PolarHBondContact O-N 2.73Å; E840-L843 PolarHBondContact O-N 3.33Å; L843-R845 PolarHBondContact O-N 2.88Å; L843-L846 PolarHBondContact O-N 3.21Å; L843-F847 HydrophobicContact CD2-CD2 4.26Å; L843-F847 HydrophobicContact CD2-CE2 4.04Å; L843-F847 PolarHBondContact O-N 2.96Å; L843-W854 HydrophobicContact CB-CH2 4.2Å; L843-W854 HydrophobicContact CB-CZ3 4.15Å; L843-W854 WeakPolarHBondContact O-CZ3 3.39Å
844C85.8Confident86.6Confident37 Ų3792.2 Ų92.225%0.2545%0.445CS..Hα-helixtrans-59.8-34.1175.9-69.80000111.9E840 R848E840-C844 WeakPolarHBondContact O-CB 3.48Å; E840-C844 PolarHBondContact O-N 2.88Å; E840-C844 PolarHBondContact O-SG 3.21Å; C844-R848 VanDerWaalsContact O-CA 3.27Å; C844-R848 WeakPolarHBondContact O-CA 3.23Å; C844-R848 PolarHBondContact O-N 2.88Å
845R86.5Confident85.9Confident177 Ų17787.9 Ų87.967%0.66843%0.426SS*.Hα-helixtrans-75.3-45.3175.8-171.760.2177.2174.70.9112.7A841 F842 L843 F847A841-R845 WeakPolarHBondContact O-CB 3.47Å; A841-R845 PolarHBondContact O-N 3.31Å; F842-R845 PolarHBondContact O-N 2.87Å; L843-R845 PolarHBondContact O-N 2.88Å; R845-F847 VanDerWaalsContact C-N 3.33Å; R845-F847 PolarHBondContact O-N 3.25Å
846L86.9Confident85.3Confident103 Ų10389.5 Ų89.554%0.53944%0.442SS..Hα-helixtrans-66.7-35.4-176.9-175.562.9000112.2F842 L843F842-L846 HydrophobicContact CE1-CD2 3.83Å; F842-L846 HydrophobicContact CZ-CD2 4.07Å; F842-L846 WeakPolarHBondContact O-CB 3.27Å; F842-L846 PolarHBondContact O-N 3.27Å; L843-L846 PolarHBondContact O-N 3.21Å
847F88.6Confident84.5Confident79 Ų7989.5 Ų89.535%0.34644%0.443SS..THydrogen-bonded Turntrans-119.537.7-176.6-61.5-83.5000111.7L843 R845 Y850 H851 W854L843-F847 HydrophobicContact CD2-CD2 4.26Å; L843-F847 HydrophobicContact CD2-CE2 4.04Å; L843-F847 PolarHBondContact O-N 2.96Å; R845-F847 VanDerWaalsContact C-N 3.33Å; R845-F847 PolarHBondContact O-N 3.25Å; F847-Y850 HydrophobicContact CB-CD2 4.18Å; F847-Y850 HydrophobicContact CD1-CD2 4.22Å; F847-Y850 PolarHBondContact O-N 3.29Å; F847-H851 PolarHBondContact O-N 3.3Å; F847-W854 HydrophobicContact CB-CH2 3.14Å; F847-W854 HydrophobicContact CB-CZ2 3.51Å; F847-W854 HydrophobicContact CB-CZ3 3.74Å; F847-W854 HydrophobicContact CD1-CZ2 4.37Å; F847-W854 AromaticContact CD2-CH2 3.38Å; F847-W854 HydrophobicContact CD2-CH2 3.38Å; F847-W854 AromaticContact CD2-CZ2 3.9Å; F847-W854 HydrophobicContact CD2-CZ2 3.9Å; F847-W854 HydrophobicContact CD2-CZ3 4.43Å; F847-W854 HydrophobicContact CE2-CH2 4.35Å; F847-W854 AromaticContact CG-CH2 3.46Å; F847-W854 HydrophobicContact CG-CH2 3.46Å; F847-W854 VanDerWaalsContact CG-CH2 3.46Å; F847-W854 AromaticContact CG-CZ2 3.69Å; F847-W854 HydrophobicContact CG-CZ2 3.69Å; F847-W854 HydrophobicContact CG-CZ3 4.46Å
848R85.6Confident83.7Confident166 Ų16693.1 Ų93.163%0.62645%0.451SS*.G310 helixtrans-43.4-41.9178.5-169.6-178.7-176.2177.91.5114.2C844 Y850 H851C844-R848 VanDerWaalsContact O-CA 3.27Å; C844-R848 WeakPolarHBondContact O-CA 3.23Å; C844-R848 PolarHBondContact O-N 2.88Å; R848-Y850 PolarHBondContact O-N 3.1Å; R848-H851 WeakPolarHBondContact O-CB 3.24Å; R848-H851 PolarHBondContact O-N 3.42Å
849P85.9Confident82.8Confident110 Ų11092.4 Ų92.471%0.71444%0.443SS*.G310 helixtrans-63.6-22.5178.2-22.735000115.1
850Y82.8Confident81.9Confident138 Ų13897 Ų9754%0.54146%0.46SS..G310 helixtrans-98.51.4-178.8-60.9-80.6000113F847 R848 T852 Y853 W854F847-Y850 HydrophobicContact CB-CD2 4.18Å; F847-Y850 HydrophobicContact CD1-CD2 4.22Å; F847-Y850 PolarHBondContact O-N 3.29Å; R848-Y850 PolarHBondContact O-N 3.1Å; Y850-T852 PolarHBondContact O-N 2.83Å; Y850-Y853 WeakPolarHBondContact O-CB 3.39Å; Y850-Y853 PolarHBondContact O-N 3.25Å; Y850-Y853 VanDerWaalsContact O-N 3.11Å; Y850-W854 PolarHBondContact O-N 3.1Å
851H78.2Confident81Confident52 Ų5295.1 Ų95.124%0.24145%0.454CS..Hα-helixtrans-55.7-47.3-175.7-175.4-94.7000112.5F847 R848 Y853 W854 E855F847-H851 PolarHBondContact O-N 3.3Å; R848-H851 WeakPolarHBondContact O-CB 3.24Å; R848-H851 PolarHBondContact O-N 3.42Å; H851-Y853 VanDerWaalsContact C-N 3.32Å; H851-Y853 PolarHBondContact O-N 2.86Å; H851-W854 PolarHBondContact O-N 3.2Å; H851-E855 VanDerWaalsContact CE1-CD 3.5Å; H851-E855 IonicContact CE1-OE1 3.25Å; H851-E855 PolarHBondContact CE1-OE1 3.17Å; H851-E855 VanDerWaalsContact CE1-OE1 3.25Å; H851-E855 PolarHBondContact O-N 3.41Å
852T80Confident79.9Confident90 Ų9095.8 Ų95.855%0.55245%0.449SS*.Hα-helixtrans-62.8-38178.1530000112.5Y850 A856Y850-T852 PolarHBondContact O-N 2.83Å; T852-A856 WeakPolarHBondContact O-CB 3.43Å; T852-A856 PolarHBondContact O-N 2.78Å
853Y82.4Confident78.8Confident147 Ų14790.8 Ų90.858%0.57643%0.429SS*.Hα-helixtrans-66.2-40.9175.4179.4-102.9000111.7Y850 H851 A856 I857Y850-Y853 WeakPolarHBondContact O-CB 3.39Å; Y850-Y853 PolarHBondContact O-N 3.25Å; Y850-Y853 VanDerWaalsContact O-N 3.11Å; H851-Y853 VanDerWaalsContact C-N 3.32Å; H851-Y853 PolarHBondContact O-N 2.86Å; Y853-A856 PolarHBondContact O-N 3Å; Y853-I857 HydrophobicContact CD1-CD1 3.78Å; Y853-I857 HydrophobicContact CE1-CD1 3.23Å; Y853-I857 HydrophobicContact CE1-CG1 4.25Å; Y853-I857 HydrophobicContact CE2-CD1 4.5Å; Y853-I857 WeakPolarHBondContact O-CG1 3.46Å; Y853-I857 PolarHBondContact O-N 3.39Å
854W80.2Confident77.8Confident61 Ų6190.3 Ų90.323%0.23143%0.429CS..Hα-helixtrans-68-43.9175.1-64.9-19.2000112.5L843 F847 Y850 H851 A856 I857 Y858L843-W854 HydrophobicContact CB-CH2 4.2Å; L843-W854 HydrophobicContact CB-CZ3 4.15Å; L843-W854 WeakPolarHBondContact O-CZ3 3.39Å; F847-W854 HydrophobicContact CB-CH2 3.14Å; F847-W854 HydrophobicContact CB-CZ2 3.51Å; F847-W854 HydrophobicContact CB-CZ3 3.74Å; F847-W854 HydrophobicContact CD1-CZ2 4.37Å; F847-W854 AromaticContact CD2-CH2 3.38Å; F847-W854 HydrophobicContact CD2-CH2 3.38Å; F847-W854 AromaticContact CD2-CZ2 3.9Å; F847-W854 HydrophobicContact CD2-CZ2 3.9Å; F847-W854 HydrophobicContact CD2-CZ3 4.43Å; F847-W854 HydrophobicContact CE2-CH2 4.35Å; F847-W854 AromaticContact CG-CH2 3.46Å; F847-W854 HydrophobicContact CG-CH2 3.46Å; F847-W854 VanDerWaalsContact CG-CH2 3.46Å; F847-W854 AromaticContact CG-CZ2 3.69Å; F847-W854 HydrophobicContact CG-CZ2 3.69Å; F847-W854 HydrophobicContact CG-CZ3 4.46Å; Y850-W854 PolarHBondContact O-N 3.1Å; H851-W854 PolarHBondContact O-N 3.2Å; W854-A856 PolarHBondContact O-N 3.34Å; W854-I857 PolarHBondContact O-N 3.4Å; W854-I857 VanDerWaalsContact O-N 3.1Å; W854-Y858 HydrophobicContact CB-CD2 4.19Å; W854-Y858 HydrophobicContact CB-CE2 4.1Å; W854-Y858 WeakPolarHBondContact O-CB 3.32Å; W854-Y858 WeakPolarHBondContact O-CD2 3.27Å; W854-Y858 PolarHBondContact O-N 3.32Å
855E78.5Confident76.8Confident49 Ų4995.7 Ų95.723%0.22946%0.455CS..Hα-helixtrans-54.2-44.5172.5-77.9-163.8152.400110.4H851 I857 Y858 E859 R872H851-E855 VanDerWaalsContact CE1-CD 3.5Å; H851-E855 IonicContact CE1-OE1 3.25Å; H851-E855 PolarHBondContact CE1-OE1 3.17Å; H851-E855 VanDerWaalsContact CE1-OE1 3.25Å; H851-E855 PolarHBondContact O-N 3.41Å; E855-I857 PolarHBondContact O-N 3.45Å; E855-Y858 PolarHBondContact O-N 3.26Å; E855-E859 WeakPolarHBondContact O-CB 3.15Å; E855-E859 WeakPolarHBondContact O-CG 3.41Å; E855-E859 PolarHBondContact O-N 2.78Å; E855-R872 IonicContact OE1-NH2 3.45Å; E855-R872 IonicContact OE2-NH1 3.36Å
856A79.5Confident75.6Confident54 Ų5494 Ų9445%0.44645%0.452SS..Hα-helixtrans-63.1-40176.600000113.3T852 Y853 W854 K860T852-A856 WeakPolarHBondContact O-CB 3.43Å; T852-A856 PolarHBondContact O-N 2.78Å; Y853-A856 PolarHBondContact O-N 3Å; W854-A856 PolarHBondContact O-N 3.34Å; A856-K860 WeakPolarHBondContact O-CB 3.33Å; A856-K860 PolarHBondContact O-N 3.37Å
857I76.4Confident74.8Confident62 Ų6291.9 Ų91.932%0.31845%0.445SS..Hα-helixtrans-64.4-46.5173.4-71.2171.8000110.8Y853 W854 E855 K860 N861Y853-I857 HydrophobicContact CD1-CD1 3.78Å; Y853-I857 HydrophobicContact CE1-CD1 3.23Å; Y853-I857 HydrophobicContact CE1-CG1 4.25Å; Y853-I857 HydrophobicContact CE2-CD1 4.5Å; Y853-I857 WeakPolarHBondContact O-CG1 3.46Å; Y853-I857 PolarHBondContact O-N 3.39Å; W854-I857 PolarHBondContact O-N 3.4Å; W854-I857 VanDerWaalsContact O-N 3.1Å; E855-I857 PolarHBondContact O-N 3.45Å; I857-K860 PolarHBondContact O-N 2.71Å; I857-N861 WeakPolarHBondContact CG2-ND2 3.44Å; I857-N861 WeakPolarHBondContact O-CB 3.05Å; I857-N861 PolarHBondContact O-N 2.76Å; I857-N861 PolarHBondContact O-ND2 3.41Å
858Y73.7Confident73.7Confident140 Ų14091.3 Ų91.355%0.54946%0.462SS..Hα-helixtrans-63.2-44.1179.9-77.5-60000110.5W854 E855 K860 N861 L862W854-Y858 HydrophobicContact CB-CD2 4.19Å; W854-Y858 HydrophobicContact CB-CE2 4.1Å; W854-Y858 WeakPolarHBondContact O-CB 3.32Å; W854-Y858 WeakPolarHBondContact O-CD2 3.27Å; W854-Y858 PolarHBondContact O-N 3.32Å; E855-Y858 PolarHBondContact O-N 3.26Å; Y858-K860 VanDerWaalsContact C-N 3.33Å; Y858-K860 PolarHBondContact O-N 3.06Å; Y858-N861 PolarHBondContact O-N 3.13Å; Y858-L862 WeakPolarHBondContact O-CA 3.37Å; Y858-L862 WeakPolarHBondContact O-CB 3.37Å; Y858-L862 VanDerWaalsContact O-CG 3.28Å; Y858-L862 WeakPolarHBondContact O-CG 3.41Å; Y858-L862 PolarHBondContact O-N 3.13Å
859E71Confident72.5Confident60 Ų6091.9 Ų91.928%0.2846%0.464SS..Hα-helixtrans-59.2-42.2173.8-77-175.2172.100112.1E855 N861 C863 C871 R872E855-E859 WeakPolarHBondContact O-CB 3.15Å; E855-E859 WeakPolarHBondContact O-CG 3.41Å; E855-E859 PolarHBondContact O-N 2.78Å; E859-N861 VanDerWaalsContact C-N 3.29Å; E859-N861 PolarHBondContact O-N 3.5Å; E859-C863 PolarHBondContact O-N 3.33Å; E859-C863 VanDerWaalsContact O-N 3.13Å; E859-C871 HydrophobicContact CB-CB 4.5Å; E859-R872 WeakPolarHBondContact OE1-CB 3.48Å; E859-R872 WeakPolarHBondContact OE1-CD 3.4Å
860K70.9Confident71.4Confident149 Ų14989.8 Ų89.865%0.64846%0.456SS*.Hα-helixtrans-65-31.7177.2-172.4177-178.6177.70113.1A856 I857 Y858A856-K860 WeakPolarHBondContact O-CB 3.33Å; A856-K860 PolarHBondContact O-N 3.37Å; I857-K860 PolarHBondContact O-N 2.71Å; Y858-K860 VanDerWaalsContact C-N 3.33Å; Y858-K860 PolarHBondContact O-N 3.06Å
861N68.2Low70.8Confident83 Ų8383.7 Ų83.744%0.44443%0.433SS..Hα-helixtrans-92.6-30.6-178.9-71.8-31000113.4I857 Y858 E859I857-N861 WeakPolarHBondContact CG2-ND2 3.44Å; I857-N861 WeakPolarHBondContact O-CB 3.05Å; I857-N861 PolarHBondContact O-N 2.76Å; I857-N861 PolarHBondContact O-ND2 3.41Å; Y858-N861 PolarHBondContact O-N 3.13Å; E859-N861 VanDerWaalsContact C-N 3.29Å; E859-N861 PolarHBondContact O-N 3.5Å
862L63.5Low70.2Confident75 Ų7588.7 Ų88.739%0.39345%0.45SS..SBendtrans-82.80.9174.7-70.7166.3000112.6Y858 C867Y858-L862 WeakPolarHBondContact O-CA 3.37Å; Y858-L862 WeakPolarHBondContact O-CB 3.37Å; Y858-L862 VanDerWaalsContact O-CG 3.28Å; Y858-L862 WeakPolarHBondContact O-CG 3.41Å; Y858-L862 PolarHBondContact O-N 3.13Å; L862-C867 WeakPolarHBondContact CA-SG 3.5Å; L862-C867 PolarHBondContact O-SG 3.34Å
863C63Low69.4Low16 Ų1688.4 Ų88.411%0.10845%0.452CS..  trans-51.9137.1176.1178.20000110.7E859 L865 K866 C867 H874E859-C863 PolarHBondContact O-N 3.33Å; E859-C863 VanDerWaalsContact O-N 3.13Å; C863-L865 PolarHBondContact O-N 2.84Å; C863-K866 PolarHBondContact O-N 3.23Å; C863-C867 PolarHBondContact O-N 3.23Å; C863-H874 PolarHBondContact SG-CE1 2.91Å
864P65.6Low68.8Low48 Ų4886.1 Ų86.131%0.31245%0.446SS..Hα-helixtrans-50.2-35.1177.2-25.229.1000112.9K866 G868 R869 H874P864-K866 PolarHBondContact O-N 3.11Å; P864-K866 VanDerWaalsContact O-N 3.17Å; P864-G868 WeakPolarHBondContact O-CA 3.47Å; P864-G868 PolarHBondContact O-N 3.03Å; P864-R869 WeakPolarHBondContact CA-O 3.42Å; P864-R869 WeakPolarHBondContact CD-O 3.45Å; P864-R869 VanDerWaalsContact CG-O 3.27Å; P864-R869 WeakPolarHBondContact CG-O 3.5Å; P864-R869 VanDerWaalsContact N-O 3.14Å; P864-H874 HydrophobicContact CG-CB 3.71Å
865L66.3Low67.9Low151 Ų15193.7 Ų93.779%0.79148%0.481SS*.Hα-helixtrans-63.7-17178.8-61172.5000114.1C863C863-L865 PolarHBondContact O-N 2.84Å
866K61.1Low67.4Low140 Ų14096 Ų9661%0.60949%0.494SS*.Hα-helixtrans-115.7-37.3179.9-71.1-171.9177.5-178.30114.1C863 P864C863-K866 PolarHBondContact O-N 3.23Å; P864-K866 PolarHBondContact O-N 3.11Å; P864-K866 VanDerWaalsContact O-N 3.17Å
867C68.5Low66.8Low59 Ų5998.2 Ų98.240%0.39950%0.496SS..Hα-helixtrans-128.9-1.2-173.182.60000115L862 C863 R869L862-C867 WeakPolarHBondContact CA-SG 3.5Å; L862-C867 PolarHBondContact O-SG 3.34Å; C863-C867 PolarHBondContact O-N 3.23Å; C867-R869 VanDerWaalsContact C-N 3.29Å; C867-R869 PolarHBondContact O-N 3.04Å; C867-R869 PolarHBondContact SG-N 3.15Å
868G66.5Low66.2Low67 Ų67100.2 Ų100.269%0.69151%0.506SS*.SBendtrans69.914.1-178.700000116P864P864-G868 WeakPolarHBondContact O-CA 3.47Å; P864-G868 PolarHBondContact O-N 3.03Å
869R61.1Low65.8Low178 Ų17897.8 Ų97.867%0.67250%0.504SS*.SBendtrans-107.5147.4173.6-63.5-173.1177.8-168.2-0.8110.2P864 C867P864-R869 WeakPolarHBondContact CA-O 3.42Å; P864-R869 WeakPolarHBondContact CD-O 3.45Å; P864-R869 VanDerWaalsContact CG-O 3.27Å; P864-R869 WeakPolarHBondContact CG-O 3.5Å; P864-R869 VanDerWaalsContact N-O 3.14Å; C867-R869 VanDerWaalsContact C-N 3.29Å; C867-R869 PolarHBondContact O-N 3.04Å; C867-R869 PolarHBondContact SG-N 3.15Å
870A63.1Low65.5Low67 Ų67100.2 Ų100.255%0.55452%0.518SS*.  trans-76.4122.4177.300000111K875A870-K875 HydrophobicContact CB-CG 4.3Å
871C69.5Low65.1Low9 Ų996.9 Ų96.96%0.06151%0.509CS..  trans-91.5169.1166.962.70000110.5E859 S873 H874 K875E859-C871 HydrophobicContact CB-CB 4.5Å; C871-S873 PolarHBondContact O-N 2.88Å; C871-S873 PolarHBondContact SG-OG 3.24Å; C871-H874 CarbonylContact O-C 3.31Å; C871-H874 PolarHBondContact O-N 3.43Å; C871-H874 PolarHBondContact SG-ND1 3.01Å; C871-K875 PolarHBondContact O-N 3.19Å
872R64.7Low64.9Low157 Ų15797.9 Ų97.959%0.59251%0.513SS*.G310 helixtrans-57.5-32.5-178.8-70.6-173.2-179.8149.82.6113.6E855 E859 H874E855-R872 IonicContact OE1-NH2 3.45Å; E855-R872 IonicContact OE2-NH1 3.36Å; E859-R872 WeakPolarHBondContact OE1-CB 3.48Å; E859-R872 WeakPolarHBondContact OE1-CD 3.4Å; R872-H874 VanDerWaalsContact C-N 3.29Å; R872-H874 PolarHBondContact O-N 3.17Å
873S64.7Low65Low85 Ų8599.7 Ų99.759%0.59452%0.523SS*.G310 helixtrans-74.6-12.5177.254.50000115.2C871C871-S873 PolarHBondContact O-N 2.88Å; C871-S873 PolarHBondContact SG-OG 3.24Å
874H69.4Low65.2Low98 Ų98106.7 Ų106.745%0.45456%0.557SS.*G310 helixtrans-120.17.2177.4-67.188.2000112.8C863 P864 C871 R872C863-H874 PolarHBondContact SG-CE1 2.91Å; P864-H874 HydrophobicContact CG-CB 3.71Å; C871-H874 CarbonylContact O-C 3.31Å; C871-H874 PolarHBondContact O-N 3.43Å; C871-H874 PolarHBondContact SG-ND1 3.01Å; R872-H874 VanDerWaalsContact C-N 3.29Å; R872-H874 PolarHBondContact O-N 3.17Å
875K61.8Low65.1Low221 Ų221112 Ų11296%0.96158%0.58SS**  trans-82.70159.4-82.4-170.7174.2-173.70107.7A870 C871A870-K875 HydrophobicContact CB-CG 4.3Å; C871-K875 PolarHBondContact O-N 3.19Å

Retrieved 875 of 875 residues in 1460.2 ms (Link to these results)

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