A0A077Z3T0_TRITR Loading...

CTD bind domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z3T0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 665 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
1M72.3Confident92.7Very high230 Ų23071.7 Ų71.7100%1.13341%0.41SS*.  0125.80-72.3-62.6168.400107
2P81.1Confident93.1Very high70 Ų7072.5 Ų72.546%0.45540%0.401SS..  trans-60.9145.4175.525.9-32.5000110.1E6 L7P2-E6 WeakPolarHBondContact CA-OE2 3.34Å; P2-E6 HydrophobicContact CB-CB 4.18Å; P2-E6 WeakPolarHBondContact CB-OE2 3.35Å; P2-L7 HydrophobicContact CB-CD2 4.17Å; P2-L7 HydrophobicContact CB-CG 4.09Å; P2-L7 HydrophobicContact CG-CD1 4.25Å; P2-L7 HydrophobicContact CG-CD2 3.65Å; P2-L7 HydrophobicContact CG-CG 3.86Å
3S90.4Very high93.5Very high34 Ų3467 Ų6724%0.23837%0.371CS..  trans-66.8159.617582.70000110.4V5 E6 L7S3-V5 PolarHBondContact O-N 3.2Å; S3-V5 PolarHBondContact OG-N 3.48Å; S3-E6 PolarHBondContact N-OE2 2.96Å; S3-E6 PolarHBondContact O-N 3.14Å; S3-E6 VanDerWaalsContact O-N 3.15Å; S3-E6 WeakPolarHBondContact OG-CG 3.45Å; S3-E6 PolarHBondContact OG-N 3.48Å; S3-E6 VanDerWaalsContact OG-N 3.09Å; S3-L7 PolarHBondContact O-N 3.07Å; S3-L7 VanDerWaalsContact O-N 3.08Å
4S93.9Very high93.8Very high100 Ų10069 Ų6970%0.69938%0.381SS*.Hα-helixtrans-56.3-34.8173.8-172.10000111.7E8S4-E8 PolarHBondContact O-N 3.31Å
5V96Very high94Very high29 Ų2971.9 Ų71.918%0.17640%0.396CS..Hα-helixtrans-68.5-43.2178.1177.40000111S3 L7 E8 F9 F29 H33 M40S3-V5 PolarHBondContact O-N 3.2Å; S3-V5 PolarHBondContact OG-N 3.48Å; V5-L7 PolarHBondContact O-N 3.28Å; V5-E8 PolarHBondContact O-N 3.38Å; V5-F9 WeakPolarHBondContact O-CB 3.47Å; V5-F9 PolarHBondContact O-N 2.97Å; V5-F29 HydrophobicContact CG1-CE1 3.97Å; V5-F29 HydrophobicContact CG1-CZ 4.05Å; V5-H33 HydrophobicContact CG1-CB 4.2Å; V5-H33 VanDerWaalsContact CG1-CD2 3.41Å; V5-H33 WeakPolarHBondContact CG1-CD2 3.42Å; V5-M40 HydrophobicContact CG1-SD 4.12Å
6E96.9Very high94.2Very high33 Ų3367.6 Ų67.615%0.15437%0.372CS..Hα-helixtrans-63.3-41.1177.9-71.417017500111.7P2 S3 F9 A10 R39 V43P2-E6 WeakPolarHBondContact CA-OE2 3.34Å; P2-E6 HydrophobicContact CB-CB 4.18Å; P2-E6 WeakPolarHBondContact CB-OE2 3.35Å; S3-E6 PolarHBondContact N-OE2 2.96Å; S3-E6 PolarHBondContact O-N 3.14Å; S3-E6 VanDerWaalsContact O-N 3.15Å; S3-E6 WeakPolarHBondContact OG-CG 3.45Å; S3-E6 PolarHBondContact OG-N 3.48Å; S3-E6 VanDerWaalsContact OG-N 3.09Å; E6-F9 PolarHBondContact O-N 3.38Å; E6-A10 WeakPolarHBondContact O-CB 3.37Å; E6-A10 PolarHBondContact O-N 3.3Å; E6-R39 WeakPolarHBondContact OE1-CD 3.2Å; E6-V43 HydrophobicContact CB-CG2 3.91Å; E6-V43 HydrophobicContact CG-CG2 3.83Å
7L97Very high94.3Very high96 Ų9667.3 Ų67.350%0.50337%0.373SS..Hα-helixtrans-64.6-45.9175.8-72.1173.9000111.8P2 S3 V5 F9 A10 V11P2-L7 HydrophobicContact CB-CD2 4.17Å; P2-L7 HydrophobicContact CB-CG 4.09Å; P2-L7 HydrophobicContact CG-CD1 4.25Å; P2-L7 HydrophobicContact CG-CD2 3.65Å; P2-L7 HydrophobicContact CG-CG 3.86Å; S3-L7 PolarHBondContact O-N 3.07Å; S3-L7 VanDerWaalsContact O-N 3.08Å; V5-L7 PolarHBondContact O-N 3.28Å; L7-F9 VanDerWaalsContact C-N 3.3Å; L7-F9 PolarHBondContact O-N 3.46Å; L7-A10 PolarHBondContact O-N 2.95Å; L7-V11 WeakPolarHBondContact O-CG2 3.41Å; L7-V11 PolarHBondContact O-N 3.47Å; L7-V11 VanDerWaalsContact O-N 3.07Å
8E97.7Very high94.3Very high81 Ų8169.3 Ų69.338%0.37939%0.387SS..Hα-helixtrans-61.8-41.2176.1-170.4-176.6159.700111.2S4 V5 V11 R12 F29S4-E8 PolarHBondContact O-N 3.31Å; V5-E8 PolarHBondContact O-N 3.38Å; E8-V11 PolarHBondContact O-N 3.3Å; E8-R12 WeakPolarHBondContact O-CG 3.29Å; E8-R12 PolarHBondContact O-N 2.72Å; E8-R12 IonicContact OE1-CZ 3.75Å; E8-R12 VanDerWaalsContact OE1-CZ 3.31Å; E8-R12 IonicContact OE1-NE 2.89Å; E8-R12 PolarHBondContact OE1-NE 3.34Å; E8-R12 IonicContact OE1-NH2 3.34Å; E8-R12 PolarHBondContact OE1-NH2 3.42Å; E8-F29 HydrophobicContact CB-CZ 4.13Å; E8-F29 HydrophobicContact CG-CE2 4.17Å; E8-F29 HydrophobicContact CG-CZ 4.09Å; E8-F29 VanDerWaalsContact OE1-CE2 3.31Å; E8-F29 WeakPolarHBondContact OE1-CE2 3.32Å
9F98.3Very high94.4Very high0 Ų073.3 Ų73.30%040%0.399CS..Hα-helixtrans-63.9-43.7177.3-173.1-132.6000112.4V5 E6 L7 V11 R12 L13 V26 F29 M30 M40 V43 W44V5-F9 WeakPolarHBondContact O-CB 3.47Å; V5-F9 PolarHBondContact O-N 2.97Å; E6-F9 PolarHBondContact O-N 3.38Å; L7-F9 VanDerWaalsContact C-N 3.3Å; L7-F9 PolarHBondContact O-N 3.46Å; F9-V11 VanDerWaalsContact C-N 3.3Å; F9-V11 PolarHBondContact O-N 3.15Å; F9-R12 WeakPolarHBondContact O-CB 3.36Å; F9-R12 PolarHBondContact O-N 3.41Å; F9-R12 VanDerWaalsContact O-N 3.12Å; F9-L13 HydrophobicContact CD1-CD1 3.95Å; F9-L13 HydrophobicContact CD2-CG 4.27Å; F9-L13 HydrophobicContact CE1-CD1 3.51Å; F9-L13 HydrophobicContact CE1-CD2 4.49Å; F9-L13 HydrophobicContact CE1-CG 4.14Å; F9-L13 HydrophobicContact CE2-CD1 4.16Å; F9-L13 HydrophobicContact CE2-CD2 3.94Å; F9-L13 HydrophobicContact CE2-CG 3.86Å; F9-L13 HydrophobicContact CG-CD1 4.42Å; F9-L13 HydrophobicContact CZ-CD1 3.61Å; F9-L13 HydrophobicContact CZ-CD2 3.74Å; F9-L13 HydrophobicContact CZ-CG 3.76Å; F9-L13 WeakPolarHBondContact O-CG 3.4Å; F9-L13 PolarHBondContact O-N 2.98Å; F9-V26 HydrophobicContact CD2-CG1 4.44Å; F9-V26 HydrophobicContact CE2-CG1 3.71Å; F9-F29 HydrophobicContact CB-CD1 4.21Å; F9-F29 HydrophobicContact CB-CE1 3.77Å; F9-F29 AromaticContact CD2-CD1 3.73Å; F9-F29 HydrophobicContact CD2-CD1 3.73Å; F9-F29 HydrophobicContact CD2-CE1 4.19Å; F9-F29 HydrophobicContact CG-CD1 4.29Å; F9-F29 HydrophobicContact CG-CE1 4.31Å; F9-M30 HydrophobicContact CD2-CG 4.22Å; F9-M30 HydrophobicContact CE1-CE 4.39Å; F9-M30 HydrophobicContact CE1-CG 4.21Å; F9-M30 HydrophobicContact CE1-SD 4.22Å; F9-M30 HydrophobicContact CE2-CG 3.32Å; F9-M30 HydrophobicContact CE2-SD 3.92Å; F9-M30 HydrophobicContact CZ-CE 4.07Å; F9-M30 HydrophobicContact CZ-CG 3.33Å; F9-M30 HydrophobicContact CZ-SD 3.35Å; F9-M30 WeakPolarHBondContact CZ-SD 3.48Å; F9-M40 HydrophobicContact CB-CE 3.76Å; F9-M40 HydrophobicContact CB-SD 4.33Å; F9-M40 HydrophobicContact CD1-CE 3.45Å; F9-M40 VanDerWaalsContact CD1-CE 3.45Å; F9-M40 HydrophobicContact CD1-SD 3.96Å; F9-M40 HydrophobicContact CD2-CE 3.56Å; F9-M40 HydrophobicContact CE1-CB 4.46Å; F9-M40 HydrophobicContact CE1-CE 3.93Å; F9-M40 VanDerWaalsContact CE1-O 3.25Å; F9-M40 WeakPolarHBondContact CE1-O 3.41Å; F9-M40 HydrophobicContact CE2-CE 4.01Å; F9-M40 HydrophobicContact CG-CE 3.28Å; F9-M40 HydrophobicContact CG-SD 4.17Å; F9-M40 HydrophobicContact CZ-CE 4.2Å; F9-V43 HydrophobicContact CD1-CB 3.83Å; F9-V43 HydrophobicContact CD1-CG1 3.61Å; F9-V43 HydrophobicContact CE1-CB 4.22Å; F9-V43 HydrophobicContact CE1-CG1 4.22Å; F9-V43 HydrophobicContact CG-CG1 4.48Å; F9-W44 HydrophobicContact CE1-CB 4.22Å; F9-W44 HydrophobicContact CZ-CB 4.48Å
10A97.8Very high94.4Very high33 Ų3373.8 Ų73.827%0.27341%0.414SS..Hα-helixtrans-59.4-41175.500000111.7E6 L7 L13 N14 V43E6-A10 WeakPolarHBondContact O-CB 3.37Å; E6-A10 PolarHBondContact O-N 3.3Å; L7-A10 PolarHBondContact O-N 2.95Å; A10-L13 PolarHBondContact O-N 3.16Å; A10-N14 PolarHBondContact O-N 3.41Å; A10-N14 PolarHBondContact O-ND2 2.97Å; A10-V43 HydrophobicContact CB-CG1 4.05Å
11V97.8Very high94.5Very high83 Ų8374.4 Ų74.450%0.50342%0.423SS..Hα-helixtrans-63.4-41.2174.31730000111.4L7 E8 F9 N14 N15L7-V11 WeakPolarHBondContact O-CG2 3.41Å; L7-V11 PolarHBondContact O-N 3.47Å; L7-V11 VanDerWaalsContact O-N 3.07Å; E8-V11 PolarHBondContact O-N 3.3Å; F9-V11 VanDerWaalsContact C-N 3.3Å; F9-V11 PolarHBondContact O-N 3.15Å; V11-N14 PolarHBondContact O-N 3.04Å; V11-N15 PolarHBondContact O-N 3.21Å; V11-N15 PolarHBondContact O-ND2 3.37Å
12R98.4Very high95.7Very high81 Ų8164.7 Ų64.731%0.30638%0.378SS..Hα-helixtrans-64.7-40.8176.6-73172.1-179.7-94.33.3112.2E8 F9 N15 V16 V26 F29E8-R12 WeakPolarHBondContact O-CG 3.29Å; E8-R12 PolarHBondContact O-N 2.72Å; E8-R12 IonicContact OE1-CZ 3.75Å; E8-R12 VanDerWaalsContact OE1-CZ 3.31Å; E8-R12 IonicContact OE1-NE 2.89Å; E8-R12 PolarHBondContact OE1-NE 3.34Å; E8-R12 IonicContact OE1-NH2 3.34Å; E8-R12 PolarHBondContact OE1-NH2 3.42Å; F9-R12 WeakPolarHBondContact O-CB 3.36Å; F9-R12 PolarHBondContact O-N 3.41Å; F9-R12 VanDerWaalsContact O-N 3.12Å; R12-N15 CarbonylContact O-C 3.51Å; R12-N15 PolarHBondContact O-N 3.38Å; R12-V16 PolarHBondContact O-N 3.18Å; R12-V26 HydrophobicContact CB-CG2 4.23Å; R12-F29 VanDerWaalsContact NE-CD2 3.3Å
13L98.3Very high96.5Very high1 Ų162.2 Ų62.21%0.00536%0.361CS..Hα-helixtrans-66.3-38.9175.7-70.5173.1000112.4F9 A10 N15 V16 V26 V43 W44 A47 Q56 L60 V63F9-L13 HydrophobicContact CD1-CD1 3.95Å; F9-L13 HydrophobicContact CD2-CG 4.27Å; F9-L13 HydrophobicContact CE1-CD1 3.51Å; F9-L13 HydrophobicContact CE1-CD2 4.49Å; F9-L13 HydrophobicContact CE1-CG 4.14Å; F9-L13 HydrophobicContact CE2-CD1 4.16Å; F9-L13 HydrophobicContact CE2-CD2 3.94Å; F9-L13 HydrophobicContact CE2-CG 3.86Å; F9-L13 HydrophobicContact CG-CD1 4.42Å; F9-L13 HydrophobicContact CZ-CD1 3.61Å; F9-L13 HydrophobicContact CZ-CD2 3.74Å; F9-L13 HydrophobicContact CZ-CG 3.76Å; F9-L13 WeakPolarHBondContact O-CG 3.4Å; F9-L13 PolarHBondContact O-N 2.98Å; A10-L13 PolarHBondContact O-N 3.16Å; L13-N15 PolarHBondContact O-N 3.37Å; L13-V16 WeakPolarHBondContact O-CG1 3.42Å; L13-V16 PolarHBondContact O-N 3.47Å; L13-V26 HydrophobicContact CD2-CG1 3.86Å; L13-V43 HydrophobicContact CD1-CG1 4.28Å; L13-W44 HydrophobicContact CD1-CB 4.3Å; L13-A47 HydrophobicContact CB-CB 4.27Å; L13-A47 HydrophobicContact CD1-CB 3.85Å; L13-Q56 PolarHBondContact O-NE2 3.26Å; L13-Q56 VanDerWaalsContact O-NE2 3.12Å; L13-L60 HydrophobicContact CB-CD2 3.96Å; L13-L60 HydrophobicContact CD2-CD2 3.68Å; L13-L60 HydrophobicContact CG-CD2 4.35Å; L13-V63 HydrophobicContact CD2-CG1 4.47Å
14N96.8Very high96.9Very high95 Ų9562 Ų6251%0.50836%0.36SS..Hα-helixtrans-66-26.6176.5-76.5-22.5000113A10 V11A10-N14 PolarHBondContact O-N 3.41Å; A10-N14 PolarHBondContact O-ND2 2.97Å; V11-N14 PolarHBondContact O-N 3.04Å
15N97Very high97.1Very high113 Ų11360 Ų6060%0.60435%0.345SS*.THydrogen-bonded Turntrans-1034-178.1-67.6-46.4000113.9V11 R12 L13 T17V11-N15 PolarHBondContact O-N 3.21Å; V11-N15 PolarHBondContact O-ND2 3.37Å; R12-N15 CarbonylContact O-C 3.51Å; R12-N15 PolarHBondContact O-N 3.38Å; L13-N15 PolarHBondContact O-N 3.37Å; N15-T17 PolarHBondContact O-N 2.98Å
16V97.8Very high97.2Very high3 Ų358.9 Ų58.92%0.01834%0.338CS..  trans-66.7136.3-179.775.50000110.3R12 L13 I23 V26 Q56 N59 L60 V63R12-V16 PolarHBondContact O-N 3.18Å; L13-V16 WeakPolarHBondContact O-CG1 3.42Å; L13-V16 PolarHBondContact O-N 3.47Å; V16-I23 HydrophobicContact CG2-CG1 4.17Å; V16-V26 HydrophobicContact CB-CG2 4.13Å; V16-V26 HydrophobicContact CG2-CG2 3.9Å; V16-Q56 VanDerWaalsContact CG1-NE2 3.26Å; V16-Q56 PolarHBondContact O-NE2 3.03Å; V16-Q56 PolarHBondContact O-OE1 2.89Å; V16-N59 HydrophobicContact CG1-CB 3.86Å; V16-L60 HydrophobicContact CG1-CD2 4.14Å; V16-V63 HydrophobicContact CG2-CG2 3.82Å
17T96.2Very high97.2Very high62 Ų6257.3 Ų57.338%0.3833%0.331SS..  trans-116.1168.6178.267.20000110.6N15 K19 S22N15-T17 PolarHBondContact O-N 2.98Å; T17-K19 PolarHBondContact O-N 3.37Å; T17-K19 VanDerWaalsContact O-N 3.09Å; T17-S22 PolarHBondContact N-OG 2.76Å; T17-S22 WeakPolarHBondContact OG1-CB 3.12Å; T17-S22 PolarHBondContact OG1-OG 3.29Å
18V94.4Very high97.3Very high103 Ų10355.6 Ų55.662%0.62432%0.322SS*.SBendtrans-65-11.717872.30000114A20 N59V18-A20 PolarHBondContact O-N 3.3Å; V18-N59 WeakPolarHBondContact CA-OD1 3.5Å
19K96.1Very high97.3Very high145 Ų14552 Ų5263%0.6331%0.305SS*.SBendtrans-65.2130.8179.8-67-177.9179.7177.80110T17 S21 S22 I23T17-K19 PolarHBondContact O-N 3.37Å; T17-K19 VanDerWaalsContact O-N 3.09Å; K19-S21 PolarHBondContact O-N 3.26Å; K19-S21 VanDerWaalsContact O-N 3.13Å; K19-S22 WeakPolarHBondContact O-CA 3.4Å; K19-S22 WeakPolarHBondContact O-CB 3.43Å; K19-S22 PolarHBondContact O-N 2.98Å; K19-I23 PolarHBondContact O-N 3.22Å; K19-I23 VanDerWaalsContact O-N 3.1Å
20A94.7Very high97.3Very high83 Ų8352 Ų5269%0.68631%0.305SS*.Hα-helixtrans-54.1-36.2-179.900000113.4V18 S24V18-A20 PolarHBondContact O-N 3.3Å; A20-S24 VanDerWaalsContact O-CB 3.27Å; A20-S24 WeakPolarHBondContact O-CB 3.1Å; A20-S24 PolarHBondContact O-N 3.24Å
21S96.1Very high97.1Very high88 Ų8853.3 Ų53.362%0.61530%0.304SS*.Hα-helixtrans-67-34.2175.4540000113.4K19 S25K19-S21 PolarHBondContact O-N 3.26Å; K19-S21 VanDerWaalsContact O-N 3.13Å; S21-S25 WeakPolarHBondContact O-CB 3.12Å; S21-S25 PolarHBondContact O-N 2.93Å
22S97.6Very high97Very high26 Ų2655.5 Ų55.518%0.18231%0.309CS..Hα-helixtrans-69.3-48.9176.3-177.40000110.5T17 K19 S24 S25 V26T17-S22 PolarHBondContact N-OG 2.76Å; T17-S22 WeakPolarHBondContact OG1-CB 3.12Å; T17-S22 PolarHBondContact OG1-OG 3.29Å; K19-S22 WeakPolarHBondContact O-CA 3.4Å; K19-S22 WeakPolarHBondContact O-CB 3.43Å; K19-S22 PolarHBondContact O-N 2.98Å; S22-S24 VanDerWaalsContact C-N 3.35Å; S22-S24 PolarHBondContact O-N 3.37Å; S22-S25 PolarHBondContact O-N 3.02Å; S22-V26 WeakPolarHBondContact O-CG2 3.47Å; S22-V26 PolarHBondContact O-N 2.9Å; S22-V26 VanDerWaalsContact O-N 3.16Å
23I98.2Very high97Very high17 Ų1753.9 Ų53.99%0.08730%0.304CS..Hα-helixtrans-59.4-46.2175.5-66.7161.7000110.7V16 K19 S25 V26 A27 Y62 V63 E66V16-I23 HydrophobicContact CG2-CG1 4.17Å; K19-I23 PolarHBondContact O-N 3.22Å; K19-I23 VanDerWaalsContact O-N 3.1Å; I23-S25 PolarHBondContact O-N 3.24Å; I23-V26 PolarHBondContact O-N 3.31Å; I23-A27 WeakPolarHBondContact O-CB 3.37Å; I23-A27 PolarHBondContact O-N 2.9Å; I23-Y62 HydrophobicContact CD1-CD2 4.07Å; I23-Y62 HydrophobicContact CD1-CG 4.4Å; I23-V63 HydrophobicContact CG2-CG2 4.13Å; I23-E66 HydrophobicContact CG2-CB 4.09Å
24S97.6Very high96.8Very high31 Ų3158.6 Ų58.622%0.21732%0.322CS..Hα-helixtrans-56.9-50.1175.9-177.50000111.3A20 S22 V26 A27 D28 R70A20-S24 VanDerWaalsContact O-CB 3.27Å; A20-S24 WeakPolarHBondContact O-CB 3.1Å; A20-S24 PolarHBondContact O-N 3.24Å; S22-S24 VanDerWaalsContact C-N 3.35Å; S22-S24 PolarHBondContact O-N 3.37Å; S24-V26 VanDerWaalsContact C-N 3.28Å; S24-V26 PolarHBondContact O-N 3Å; S24-A27 CarbonylContact O-C 3.58Å; S24-A27 PolarHBondContact O-N 3.09Å; S24-A27 VanDerWaalsContact O-N 3.09Å; S24-D28 WeakPolarHBondContact O-CB 3.4Å; S24-D28 PolarHBondContact O-N 3.44Å; S24-D28 PolarHBondContact OG-OD2 3.24Å; S24-R70 PolarHBondContact OG-NH2 3.12Å
25S98Very high96.8Very high56 Ų5659.1 Ų59.139%0.39233%0.333SS..Hα-helixtrans-60.5-36.5-177.3178.70000112.9S21 S22 I23 F29S21-S25 WeakPolarHBondContact O-CB 3.12Å; S21-S25 PolarHBondContact O-N 2.93Å; S22-S25 PolarHBondContact O-N 3.02Å; I23-S25 PolarHBondContact O-N 3.24Å; S25-F29 PolarHBondContact O-N 3.48Å; S25-F29 VanDerWaalsContact O-N 3.13Å
26V98.4Very high96.7Very high6 Ų656.1 Ų56.14%0.03632%0.315CS..Hα-helixtrans-72-40.1175.3-177.80000111.2F9 R12 L13 V16 S22 I23 S24 F29 M30 V63F9-V26 HydrophobicContact CD2-CG1 4.44Å; F9-V26 HydrophobicContact CE2-CG1 3.71Å; R12-V26 HydrophobicContact CB-CG2 4.23Å; L13-V26 HydrophobicContact CD2-CG1 3.86Å; V16-V26 HydrophobicContact CB-CG2 4.13Å; V16-V26 HydrophobicContact CG2-CG2 3.9Å; S22-V26 WeakPolarHBondContact O-CG2 3.47Å; S22-V26 PolarHBondContact O-N 2.9Å; S22-V26 VanDerWaalsContact O-N 3.16Å; I23-V26 PolarHBondContact O-N 3.31Å; S24-V26 VanDerWaalsContact C-N 3.28Å; S24-V26 PolarHBondContact O-N 3Å; V26-F29 PolarHBondContact O-N 3.14Å; V26-M30 PolarHBondContact O-N 3.43Å; V26-M30 VanDerWaalsContact O-N 3.13Å; V26-V63 HydrophobicContact CB-CG1 4.28Å; V26-V63 HydrophobicContact CB-CG2 4.13Å; V26-V63 HydrophobicContact CG1-CG1 3.75Å; V26-V63 HydrophobicContact CG1-CG2 4.14Å
27A97.8Very high96.7Very high0 Ų057.2 Ų57.20%032%0.321CS..Hα-helixtrans-65.4-37.6174.900000112.7I23 S24 M30 Y31 E66 V67I23-A27 WeakPolarHBondContact O-CB 3.37Å; I23-A27 PolarHBondContact O-N 2.9Å; S24-A27 CarbonylContact O-C 3.58Å; S24-A27 PolarHBondContact O-N 3.09Å; S24-A27 VanDerWaalsContact O-N 3.09Å; A27-M30 PolarHBondContact O-N 3.14Å; A27-Y31 WeakPolarHBondContact O-CB 3.22Å; A27-Y31 PolarHBondContact O-N 3.35Å; A27-E66 HydrophobicContact CB-CB 4.03Å; A27-E66 HydrophobicContact CB-CG 3.67Å; A27-V67 HydrophobicContact CB-CG2 3.63Å
28D97.6Very high96.8Very high60 Ų6058.7 Ų58.732%0.32133%0.33SS..Hα-helixtrans-58.9-47.4172.4-77.7-51.2000110.6S24 M30 Y31 E32 R70S24-D28 WeakPolarHBondContact O-CB 3.4Å; S24-D28 PolarHBondContact O-N 3.44Å; S24-D28 PolarHBondContact OG-OD2 3.24Å; D28-M30 VanDerWaalsContact C-N 3.35Å; D28-M30 PolarHBondContact O-N 2.64Å; D28-Y31 PolarHBondContact O-N 2.73Å; D28-E32 WeakPolarHBondContact O-CG 3.3Å; D28-E32 PolarHBondContact O-N 3.31Å; D28-R70 IonicContact OD1-CZ 2.72Å; D28-R70 IonicContact OD1-NH1 2.77Å; D28-R70 PolarHBondContact OD1-NH1 3.45Å; D28-R70 IonicContact OD2-NH1 3.33Å; D28-R70 PolarHBondContact OD2-NH1 3.41Å; D28-R70 VanDerWaalsContact OD2-NH1 3.17Å
29F98.1Very high96.9Very high6 Ų660.4 Ų60.43%0.02633%0.325CS..Hα-helixtrans-59.5-42.9177.1-172.5-88.4000112.7V5 E8 F9 R12 S25 V26 Y31 H33 M40V5-F29 HydrophobicContact CG1-CE1 3.97Å; V5-F29 HydrophobicContact CG1-CZ 4.05Å; E8-F29 HydrophobicContact CB-CZ 4.13Å; E8-F29 HydrophobicContact CG-CE2 4.17Å; E8-F29 HydrophobicContact CG-CZ 4.09Å; E8-F29 VanDerWaalsContact OE1-CE2 3.31Å; E8-F29 WeakPolarHBondContact OE1-CE2 3.32Å; F9-F29 HydrophobicContact CB-CD1 4.21Å; F9-F29 HydrophobicContact CB-CE1 3.77Å; F9-F29 AromaticContact CD2-CD1 3.73Å; F9-F29 HydrophobicContact CD2-CD1 3.73Å; F9-F29 HydrophobicContact CD2-CE1 4.19Å; F9-F29 HydrophobicContact CG-CD1 4.29Å; F9-F29 HydrophobicContact CG-CE1 4.31Å; R12-F29 VanDerWaalsContact NE-CD2 3.3Å; S25-F29 PolarHBondContact O-N 3.48Å; S25-F29 VanDerWaalsContact O-N 3.13Å; V26-F29 PolarHBondContact O-N 3.14Å; F29-Y31 VanDerWaalsContact C-N 3.31Å; F29-Y31 PolarHBondContact O-N 3.41Å; F29-H33 AromaticContact CD1-ND1 3.98Å; F29-H33 AromaticContact CE1-ND1 3.77Å; F29-H33 AromaticContact CE2-CE1 3.58Å; F29-H33 AromaticContact CZ-CE1 3.57Å; F29-H33 AromaticContact CZ-ND1 3.82Å; F29-H33 PolarHBondContact O-N 3.41Å; F29-H33 PolarHBondContact O-ND1 2.98Å; F29-M40 HydrophobicContact CD1-CE 3.72Å; F29-M40 HydrophobicContact CE1-CE 3.75Å
30M97.8Very high97Very high0 Ų053.5 Ų53.50%030%0.295CS..Hα-helixtrans-60.2-43.8173.2-72.6-167.875.300111.3F9 V26 A27 D28 H33 R34 M40 V41 V63 V67 Y78 F82F9-M30 HydrophobicContact CD2-CG 4.22Å; F9-M30 HydrophobicContact CE1-CE 4.39Å; F9-M30 HydrophobicContact CE1-CG 4.21Å; F9-M30 HydrophobicContact CE1-SD 4.22Å; F9-M30 HydrophobicContact CE2-CG 3.32Å; F9-M30 HydrophobicContact CE2-SD 3.92Å; F9-M30 HydrophobicContact CZ-CE 4.07Å; F9-M30 HydrophobicContact CZ-CG 3.33Å; F9-M30 HydrophobicContact CZ-SD 3.35Å; F9-M30 WeakPolarHBondContact CZ-SD 3.48Å; V26-M30 PolarHBondContact O-N 3.43Å; V26-M30 VanDerWaalsContact O-N 3.13Å; A27-M30 PolarHBondContact O-N 3.14Å; D28-M30 VanDerWaalsContact C-N 3.35Å; D28-M30 PolarHBondContact O-N 2.64Å; M30-H33 CarbonylContact O-C 3.57Å; M30-H33 VanDerWaalsContact O-C 3.29Å; M30-H33 PolarHBondContact O-N 2.64Å; M30-R34 PolarHBondContact O-N 2.76Å; M30-R34 VanDerWaalsContact O-N 3.16Å; M30-M40 HydrophobicContact CB-CE 4.48Å; M30-M40 HydrophobicContact CE-CB 3.73Å; M30-M40 HydrophobicContact CG-CE 3.98Å; M30-V41 HydrophobicContact CE-CG2 4.2Å; M30-V63 HydrophobicContact SD-CG1 4.34Å; M30-V67 HydrophobicContact CB-CG2 4.02Å; M30-V67 HydrophobicContact CG-CG2 4.35Å; M30-V67 HydrophobicContact SD-CG2 3.7Å; M30-Y78 HydrophobicContact CE-CE1 3.91Å; M30-Y78 PolarHBondContact O-OH 3.24Å; M30-F82 HydrophobicContact CE-CE2 4.13Å; M30-F82 HydrophobicContact CE-CZ 3.77Å; M30-F82 HydrophobicContact SD-CZ 4.28Å
31Y94.9Very high97.2Very high60 Ų6049.6 Ų49.624%0.23526%0.263CS..Hα-helixtrans-69.7-34.3-177.2-172.4-96.8000113.6A27 D28 F29 H33 R34 H74 H75A27-Y31 WeakPolarHBondContact O-CB 3.22Å; A27-Y31 PolarHBondContact O-N 3.35Å; D28-Y31 PolarHBondContact O-N 2.73Å; F29-Y31 VanDerWaalsContact C-N 3.31Å; F29-Y31 PolarHBondContact O-N 3.41Å; Y31-H33 VanDerWaalsContact C-N 3.26Å; Y31-H33 PolarHBondContact O-N 2.82Å; Y31-R34 WeakPolarHBondContact O-CB 3.27Å; Y31-R34 WeakPolarHBondContact O-CD 3.32Å; Y31-R34 WeakPolarHBondContact O-CG 3.36Å; Y31-R34 PolarHBondContact O-N 2.78Å; Y31-R34 PolarHBondContact O-NH1 3.48Å; Y31-H74 HydrophobicContact CE2-CB 4.04Å; Y31-H74 WeakPolarHBondContact OH-CB 3.31Å; Y31-H75 HydrophobicContact CE2-CB 4.34Å
32E96Very high97.3Very high130 Ų13047.5 Ų47.561%0.60725%0.251SS*.Hα-helixtrans-59.3-39.6170.6-74.3170.9-177.600111.2D28D28-E32 WeakPolarHBondContact O-CG 3.3Å; D28-E32 PolarHBondContact O-N 3.31Å
33H96.8Very high97.4Very high46 Ų4647.3 Ų47.321%0.21325%0.248CC..THydrogen-bonded Turntrans-99.328.5-179.6-59.187.1000113.4V5 F29 M30 Y31 S35 E36 M40V5-H33 HydrophobicContact CG1-CB 4.2Å; V5-H33 VanDerWaalsContact CG1-CD2 3.41Å; V5-H33 WeakPolarHBondContact CG1-CD2 3.42Å; F29-H33 AromaticContact CD1-ND1 3.98Å; F29-H33 AromaticContact CE1-ND1 3.77Å; F29-H33 AromaticContact CE2-CE1 3.58Å; F29-H33 AromaticContact CZ-CE1 3.57Å; F29-H33 AromaticContact CZ-ND1 3.82Å; F29-H33 PolarHBondContact O-N 3.41Å; F29-H33 PolarHBondContact O-ND1 2.98Å; M30-H33 CarbonylContact O-C 3.57Å; M30-H33 VanDerWaalsContact O-C 3.29Å; M30-H33 PolarHBondContact O-N 2.64Å; Y31-H33 VanDerWaalsContact C-N 3.26Å; Y31-H33 PolarHBondContact O-N 2.82Å; H33-S35 PolarHBondContact O-N 2.81Å; H33-E36 PolarHBondContact O-N 3.21Å; H33-M40 HydrophobicContact CB-CE 4.45Å; H33-M40 HydrophobicContact CB-SD 4.47Å
34R95.5Very high97.4Very high101 Ų10146.5 Ų46.538%0.38124%0.244SC..G310 helixtrans-60.2-16.8-17867.8-173.1174-76.1-4.7115.4M30 Y31 E36 D37 H75 Y78M30-R34 PolarHBondContact O-N 2.76Å; M30-R34 VanDerWaalsContact O-N 3.16Å; Y31-R34 WeakPolarHBondContact O-CB 3.27Å; Y31-R34 WeakPolarHBondContact O-CD 3.32Å; Y31-R34 WeakPolarHBondContact O-CG 3.36Å; Y31-R34 PolarHBondContact O-N 2.78Å; Y31-R34 PolarHBondContact O-NH1 3.48Å; R34-E36 PolarHBondContact O-N 2.96Å; R34-D37 WeakPolarHBondContact O-CB 2.88Å; R34-D37 PolarHBondContact O-N 2.92Å; R34-H75 PolarHBondContact O-NE2 2.98Å; R34-Y78 WeakPolarHBondContact CA-OH 3.36Å; R34-Y78 HydrophobicContact CB-CE2 3.74Å
35S95.8Very high97.4Very high105 Ų10545.4 Ų45.473%0.73424%0.236SC*.G310 helixtrans-66.8-19.2170.550.60000113.1H33H33-S35 PolarHBondContact O-N 2.81Å
36E96.3Very high97.5Very high51 Ų5146.9 Ų46.924%0.23824%0.239CC..G310 helixtrans-11027.1177.2-59.6-172-141.200111.3H33 R34 V38 R39 M40H33-E36 PolarHBondContact O-N 3.21Å; R34-E36 PolarHBondContact O-N 2.96Å; E36-V38 VanDerWaalsContact C-N 3.33Å; E36-V38 PolarHBondContact O-N 3.41Å; E36-R39 HydrophobicContact CB-CB 4.45Å; E36-R39 WeakPolarHBondContact O-CB 3.47Å; E36-R39 PolarHBondContact O-N 2.93Å; E36-R39 IonicContact OE2-NH1 3.77Å; E36-M40 HydrophobicContact CB-CG 4.37Å; E36-M40 WeakPolarHBondContact O-CG 3.43Å; E36-M40 PolarHBondContact O-N 3.32Å
37D97Very high97.5Very high26 Ų2647.3 Ų47.314%0.13924%0.244CC..Hα-helixtrans-48.4-46.2-173.554.97.5000114.8R34 R39 M40 V41 H75 P77 Y78 I81R34-D37 WeakPolarHBondContact O-CB 2.88Å; R34-D37 PolarHBondContact O-N 2.92Å; D37-R39 VanDerWaalsContact C-N 3.34Å; D37-R39 PolarHBondContact O-N 3.4Å; D37-M40 PolarHBondContact O-N 3.34Å; D37-V41 WeakPolarHBondContact O-CG2 3.2Å; D37-V41 PolarHBondContact O-N 2.57Å; D37-H75 IonicContact OD2-CD2 2.67Å; D37-H75 IonicContact OD2-CE1 3.42Å; D37-H75 IonicContact OD2-NE2 2.83Å; D37-H75 PolarHBondContact OD2-NE2 3.09Å; D37-P77 WeakPolarHBondContact OD2-CB 3.29Å; D37-Y78 HydrophobicContact CB-CD1 3.8Å; D37-Y78 HydrophobicContact CB-CE1 3.33Å; D37-Y78 HydrophobicContact CB-CE2 4.23Å; D37-Y78 HydrophobicContact CB-CG 4.39Å; D37-I81 HydrophobicContact CB-CD1 3.83Å; D37-I81 WeakPolarHBondContact OD2-CD1 3.26Å
38V97.8Very high97.5Very high93 Ų9347.4 Ų47.456%0.56424%0.244SC*.Hα-helixtrans-60.2-43177.4178.80000111.7E36 A42 I81E36-V38 VanDerWaalsContact C-N 3.33Å; E36-V38 PolarHBondContact O-N 3.41Å; V38-A42 WeakPolarHBondContact O-CB 3.42Å; V38-A42 PolarHBondContact O-N 2.92Å; V38-A42 VanDerWaalsContact O-N 3.07Å; V38-I81 HydrophobicContact CG2-CD1 3.82Å; V38-I81 HydrophobicContact CG2-CG1 4.41Å
39R97.5Very high97.5Very high139 Ų13948.5 Ų48.553%0.52525%0.246SC..Hα-helixtrans-69.8-43.5179.1-70.9176.3176.3179.8-0.6111.2E6 E36 D37 V41 A42 V43E6-R39 WeakPolarHBondContact OE1-CD 3.2Å; E36-R39 HydrophobicContact CB-CB 4.45Å; E36-R39 WeakPolarHBondContact O-CB 3.47Å; E36-R39 PolarHBondContact O-N 2.93Å; E36-R39 IonicContact OE2-NH1 3.77Å; D37-R39 VanDerWaalsContact C-N 3.34Å; D37-R39 PolarHBondContact O-N 3.4Å; R39-V41 VanDerWaalsContact C-N 3.34Å; R39-V41 PolarHBondContact O-N 3.45Å; R39-A42 WeakPolarHBondContact O-CB 3.39Å; R39-A42 PolarHBondContact O-N 3.44Å; R39-A42 VanDerWaalsContact O-N 3.1Å; R39-V43 WeakPolarHBondContact O-CG2 3.33Å; R39-V43 PolarHBondContact O-N 3.45Å
40M98.2Very high97.5Very high0 Ų052.6 Ų52.60%028%0.276CS..Hα-helixtrans-60.4-43.6177.5-63.9-59.9-75.700111.3V5 F9 F29 M30 H33 E36 D37 A42 V43 W44V5-M40 HydrophobicContact CG1-SD 4.12Å; F9-M40 HydrophobicContact CB-CE 3.76Å; F9-M40 HydrophobicContact CB-SD 4.33Å; F9-M40 HydrophobicContact CD1-CE 3.45Å; F9-M40 VanDerWaalsContact CD1-CE 3.45Å; F9-M40 HydrophobicContact CD1-SD 3.96Å; F9-M40 HydrophobicContact CD2-CE 3.56Å; F9-M40 HydrophobicContact CE1-CB 4.46Å; F9-M40 HydrophobicContact CE1-CE 3.93Å; F9-M40 VanDerWaalsContact CE1-O 3.25Å; F9-M40 WeakPolarHBondContact CE1-O 3.41Å; F9-M40 HydrophobicContact CE2-CE 4.01Å; F9-M40 HydrophobicContact CG-CE 3.28Å; F9-M40 HydrophobicContact CG-SD 4.17Å; F9-M40 HydrophobicContact CZ-CE 4.2Å; F29-M40 HydrophobicContact CD1-CE 3.72Å; F29-M40 HydrophobicContact CE1-CE 3.75Å; M30-M40 HydrophobicContact CB-CE 4.48Å; M30-M40 HydrophobicContact CE-CB 3.73Å; M30-M40 HydrophobicContact CG-CE 3.98Å; H33-M40 HydrophobicContact CB-CE 4.45Å; H33-M40 HydrophobicContact CB-SD 4.47Å; E36-M40 HydrophobicContact CB-CG 4.37Å; E36-M40 WeakPolarHBondContact O-CG 3.43Å; E36-M40 PolarHBondContact O-N 3.32Å; D37-M40 PolarHBondContact O-N 3.34Å; M40-A42 VanDerWaalsContact C-N 3.32Å; M40-A42 PolarHBondContact O-N 2.91Å; M40-V43 PolarHBondContact O-N 2.94Å; M40-W44 PolarHBondContact O-N 3.22Å
41V98.6Very high97.5Very high1 Ų153.7 Ų53.71%0.00628%0.28CS..Hα-helixtrans-67.7-32.9176178.20000111.9M30 D37 R39 W44 L45 Y78 I81 F82 V85M30-V41 HydrophobicContact CE-CG2 4.2Å; D37-V41 WeakPolarHBondContact O-CG2 3.2Å; D37-V41 PolarHBondContact O-N 2.57Å; R39-V41 VanDerWaalsContact C-N 3.34Å; R39-V41 PolarHBondContact O-N 3.45Å; V41-W44 PolarHBondContact O-N 3.44Å; V41-L45 PolarHBondContact O-N 2.82Å; V41-Y78 HydrophobicContact CG2-CD1 3.87Å; V41-Y78 HydrophobicContact CG2-CE1 3.94Å; V41-I81 HydrophobicContact CB-CG2 3.66Å; V41-I81 HydrophobicContact CG1-CG2 3.84Å; V41-I81 HydrophobicContact CG2-CB 4.38Å; V41-I81 HydrophobicContact CG2-CG2 3.7Å; V41-F82 HydrophobicContact CG1-CD1 3.98Å; V41-F82 HydrophobicContact CG1-CE1 4.1Å; V41-F82 HydrophobicContact CG1-CG 4.42Å; V41-F82 HydrophobicContact CG2-CD1 4.33Å; V41-F82 HydrophobicContact CG2-CD2 4.01Å; V41-F82 HydrophobicContact CG2-CE1 4.12Å; V41-F82 HydrophobicContact CG2-CE2 3.77Å; V41-F82 HydrophobicContact CG2-CG 4.29Å; V41-F82 HydrophobicContact CG2-CZ 3.85Å; V41-V85 HydrophobicContact CG1-CB 4.44Å; V41-V85 HydrophobicContact CG1-CG1 4.09Å; V41-V85 HydrophobicContact CG1-CG2 3.53Å
42A98.3Very high97.5Very high44 Ų4458.5 Ų58.536%0.36430%0.298SS..Hα-helixtrans-64.2-46.617400000112.1V38 R39 M40 W44 L45 D46V38-A42 WeakPolarHBondContact O-CB 3.42Å; V38-A42 PolarHBondContact O-N 2.92Å; V38-A42 VanDerWaalsContact O-N 3.07Å; R39-A42 WeakPolarHBondContact O-CB 3.39Å; R39-A42 PolarHBondContact O-N 3.44Å; R39-A42 VanDerWaalsContact O-N 3.1Å; M40-A42 VanDerWaalsContact C-N 3.32Å; M40-A42 PolarHBondContact O-N 2.91Å; A42-W44 VanDerWaalsContact C-N 3.3Å; A42-W44 PolarHBondContact O-N 2.77Å; A42-L45 PolarHBondContact O-N 3.48Å; A42-L45 VanDerWaalsContact O-N 3.13Å; A42-D46 PolarHBondContact O-N 2.95Å
43V98.5Very high97.5Very high21 Ų2159 Ų5913%0.12730%0.295CS..Hα-helixtrans-61.1-39.4175.2175.90000111.3E6 F9 A10 L13 R39 M40 D46 A47E6-V43 HydrophobicContact CB-CG2 3.91Å; E6-V43 HydrophobicContact CG-CG2 3.83Å; F9-V43 HydrophobicContact CD1-CB 3.83Å; F9-V43 HydrophobicContact CD1-CG1 3.61Å; F9-V43 HydrophobicContact CE1-CB 4.22Å; F9-V43 HydrophobicContact CE1-CG1 4.22Å; F9-V43 HydrophobicContact CG-CG1 4.48Å; A10-V43 HydrophobicContact CB-CG1 4.05Å; L13-V43 HydrophobicContact CD1-CG1 4.28Å; R39-V43 WeakPolarHBondContact O-CG2 3.33Å; R39-V43 PolarHBondContact O-N 3.45Å; M40-V43 PolarHBondContact O-N 2.94Å; V43-D46 PolarHBondContact O-N 3.34Å; V43-A47 PolarHBondContact O-N 3.33Å
44W98.7Very high97.5Very high0 Ų058 Ų580%029%0.293CS..Hα-helixtrans-60.8-45.4173.1174.289.9000112.1F9 L13 M40 V41 A42 D46 A47 V48 L60 F61 A64 F82 V85 F86 A89F9-W44 HydrophobicContact CE1-CB 4.22Å; F9-W44 HydrophobicContact CZ-CB 4.48Å; L13-W44 HydrophobicContact CD1-CB 4.3Å; M40-W44 PolarHBondContact O-N 3.22Å; V41-W44 PolarHBondContact O-N 3.44Å; A42-W44 VanDerWaalsContact C-N 3.3Å; A42-W44 PolarHBondContact O-N 2.77Å; W44-D46 VanDerWaalsContact C-N 3.32Å; W44-D46 PolarHBondContact O-N 2.82Å; W44-A47 WeakPolarHBondContact O-CB 3.26Å; W44-A47 PolarHBondContact O-N 3.38Å; W44-V48 HydrophobicContact CD2-CG2 4.05Å; W44-V48 HydrophobicContact CE3-CG2 4.33Å; W44-V48 HydrophobicContact CH2-CG2 3.94Å; W44-V48 HydrophobicContact CZ2-CG2 3.65Å; W44-V48 HydrophobicContact CZ3-CG2 4.27Å; W44-V48 WeakPolarHBondContact O-CG2 3.5Å; W44-V48 PolarHBondContact O-N 3.49Å; W44-L60 PolarHBondContact NE1-O 3.3Å; W44-F61 HydrophobicContact CH2-CE1 4.39Å; W44-F61 HydrophobicContact CH2-CE2 4.35Å; W44-F61 HydrophobicContact CH2-CZ 4.21Å; W44-F61 HydrophobicContact CZ2-CD2 4.23Å; W44-F61 HydrophobicContact CZ2-CE2 4.31Å; W44-F61 HydrophobicContact CZ2-CG 4.4Å; W44-A64 HydrophobicContact CH2-CB 4.49Å; W44-A64 HydrophobicContact CZ2-CB 3.76Å; W44-F82 AromaticContact CD2-CE1 3.8Å; W44-F82 HydrophobicContact CD2-CE1 3.8Å; W44-F82 HydrophobicContact CE3-CD1 4.29Å; W44-F82 AromaticContact CE3-CE1 3.85Å; W44-F82 HydrophobicContact CE3-CE1 3.85Å; W44-F82 HydrophobicContact CG-CE1 4.19Å; W44-F82 HydrophobicContact CZ3-CD1 4.33Å; W44-F82 HydrophobicContact CZ3-CE1 4.28Å; W44-V85 HydrophobicContact CE3-CG2 4.41Å; W44-V85 HydrophobicContact CZ3-CG2 4.01Å; W44-F86 AromaticContact CH2-CD1 3.92Å; W44-F86 HydrophobicContact CH2-CD1 3.92Å; W44-F86 AromaticContact CH2-CE1 3.74Å; W44-F86 HydrophobicContact CH2-CE1 3.74Å; W44-F86 HydrophobicContact CZ2-CE1 4.34Å; W44-F86 HydrophobicContact CZ3-CD1 4.42Å; W44-F86 HydrophobicContact CZ3-CE1 4.36Å; W44-A89 HydrophobicContact CH2-CB 3.9Å; W44-A89 HydrophobicContact CZ3-CB 4Å
45L98.6Very high97.4Very high8 Ų860.6 Ų60.64%0.04230%0.303CS..Hα-helixtrans-63.4-38.8178.4179.163.8000111.6V41 A42 V48 K49 V85 R88 A89V41-L45 PolarHBondContact O-N 2.82Å; A42-L45 PolarHBondContact O-N 3.48Å; A42-L45 VanDerWaalsContact O-N 3.13Å; L45-V48 PolarHBondContact O-N 3.39Å; L45-K49 HydrophobicContact CG-CD 4.36Å; L45-K49 WeakPolarHBondContact O-CG 3.47Å; L45-K49 PolarHBondContact O-N 3.23Å; L45-V85 HydrophobicContact CD1-CB 4.49Å; L45-V85 HydrophobicContact CD2-CB 4.13Å; L45-V85 HydrophobicContact CD2-CG1 4.12Å; L45-R88 HydrophobicContact CD1-CB 4.44Å; L45-A89 HydrophobicContact CD1-CB 3.83Å
46D98.4Very high97.5Very high87 Ų8756.5 Ų56.547%0.46527%0.273SS..Hα-helixtrans-67.2-37177.1-70.9-19.5000111.9A42 V43 W44 K49 S50A42-D46 PolarHBondContact O-N 2.95Å; V43-D46 PolarHBondContact O-N 3.34Å; W44-D46 VanDerWaalsContact C-N 3.32Å; W44-D46 PolarHBondContact O-N 2.82Å; D46-K49 PolarHBondContact O-N 3.05Å; D46-S50 WeakPolarHBondContact O-CB 3.48Å; D46-S50 PolarHBondContact O-N 3.45Å; D46-S50 VanDerWaalsContact O-N 3.08Å; D46-S50 PolarHBondContact O-OG 3.43Å
47A98.4Very high97.6Very high16 Ų1654.1 Ų54.113%0.13226%0.261CS..Hα-helixtrans-62.5-43.7170.900000111.6L13 V43 W44 K49 S50 E51 L60L13-A47 HydrophobicContact CB-CB 4.27Å; L13-A47 HydrophobicContact CD1-CB 3.85Å; V43-A47 PolarHBondContact O-N 3.33Å; W44-A47 WeakPolarHBondContact O-CB 3.26Å; W44-A47 PolarHBondContact O-N 3.38Å; A47-K49 PolarHBondContact O-N 2.91Å; A47-S50 PolarHBondContact O-N 3.21Å; A47-E51 WeakPolarHBondContact O-CB 3.47Å; A47-E51 PolarHBondContact O-N 2.92Å; A47-L60 HydrophobicContact CB-CD1 4.43Å
48V98.4Very high97.6Very high1 Ų153.7 Ų53.71%0.00626%0.259CS..Hα-helixtrans-62.1-41.6176.11710000111.9W44 L45 S50 L57 L60 F61 A89 T93W44-V48 HydrophobicContact CD2-CG2 4.05Å; W44-V48 HydrophobicContact CE3-CG2 4.33Å; W44-V48 HydrophobicContact CH2-CG2 3.94Å; W44-V48 HydrophobicContact CZ2-CG2 3.65Å; W44-V48 HydrophobicContact CZ3-CG2 4.27Å; W44-V48 WeakPolarHBondContact O-CG2 3.5Å; W44-V48 PolarHBondContact O-N 3.49Å; L45-V48 PolarHBondContact O-N 3.39Å; V48-S50 VanDerWaalsContact C-N 3.3Å; V48-S50 PolarHBondContact O-N 2.89Å; V48-L57 HydrophobicContact CG1-CD2 4.25Å; V48-L60 HydrophobicContact CG2-CB 4.08Å; V48-L60 HydrophobicContact CG2-CD1 3.9Å; V48-F61 HydrophobicContact CG1-CE2 4.14Å; V48-F61 HydrophobicContact CG2-CE2 4.42Å; V48-A89 HydrophobicContact CG1-CB 4.05Å; V48-T93 HydrophobicContact CG1-CG2 3.45Å; V48-T93 VanDerWaalsContact CG1-CG2 3.45Å
49K98Very high97.6Very high84 Ų8449.9 Ų49.937%0.36524%0.235SC..Hα-helixtrans-66.8-30.9178.2-74.9171.7177.3172.90113.6L45 D46 A47 A92L45-K49 HydrophobicContact CG-CD 4.36Å; L45-K49 WeakPolarHBondContact O-CG 3.47Å; L45-K49 PolarHBondContact O-N 3.23Å; D46-K49 PolarHBondContact O-N 3.05Å; A47-K49 PolarHBondContact O-N 2.91Å; K49-A92 HydrophobicContact CB-CB 4.42Å; K49-A92 HydrophobicContact CG-CB 3.88Å
50S97.4Very high97.6Very high92 Ų9243.4 Ų43.464%0.64321%0.211SC*.Hα-helixtrans-87.1-25.8-176-55.30000112.7D46 A47 V48D46-S50 WeakPolarHBondContact O-CB 3.48Å; D46-S50 PolarHBondContact O-N 3.45Å; D46-S50 VanDerWaalsContact O-N 3.08Å; D46-S50 PolarHBondContact O-OG 3.43Å; A47-S50 PolarHBondContact O-N 3.21Å; V48-S50 VanDerWaalsContact C-N 3.3Å; V48-S50 PolarHBondContact O-N 2.89Å
51E97.7Very high97.6Very high22 Ų2243.4 Ų43.410%0.10321%0.211CC..  trans-77.3137.3-176-177.857.5-103.100112.5A47 R53 Q56 L57 L60A47-E51 WeakPolarHBondContact O-CB 3.47Å; A47-E51 PolarHBondContact O-N 2.92Å; E51-R53 VanDerWaalsContact OE1-CB 3.22Å; E51-R53 WeakPolarHBondContact OE1-CB 3.4Å; E51-R53 WeakPolarHBondContact OE1-CG 2.98Å; E51-R53 IonicContact OE1-CZ 3.17Å; E51-R53 PolarHBondContact OE1-N 2.97Å; E51-R53 IonicContact OE1-NE 2.73Å; E51-R53 PolarHBondContact OE1-NE 3.16Å; E51-R53 IonicContact OE1-NH2 3.8Å; E51-R53 IonicContact OE2-CZ 3.01Å; E51-R53 IonicContact OE2-NE 3.14Å; E51-R53 PolarHBondContact OE2-NE 3.26Å; E51-R53 IonicContact OE2-NH2 2.59Å; E51-R53 PolarHBondContact OE2-NH2 3.07Å; E51-Q56 HydrophobicContact CG-CB 3.78Å; E51-Q56 HydrophobicContact CG-CG 3.9Å; E51-Q56 WeakPolarHBondContact OE2-CG 3.47Å; E51-L57 HydrophobicContact CB-CD2 3.7Å; E51-L57 HydrophobicContact CB-CG 4.33Å; E51-L57 HydrophobicContact CG-CD2 3.84Å; E51-L57 HydrophobicContact CG-CG 3.94Å; E51-L60 HydrophobicContact CB-CD1 4.28Å
52R96.3Very high97.6Very high162 Ų16246.8 Ų46.861%0.61122%0.224SC*.  trans-119.3-7.7-178.3-58.9-60.3179.7-168.1-3.8113.2P54 T96R52-P54 WeakPolarHBondContact O-CD 3.46Å; R52-T96 WeakPolarHBondContact O-CG2 3.49Å
53R96.4Very high97.6Very high140 Ų14044.7 Ų44.753%0.52821%0.207SC..  trans-88.7115.6179-62.6169.1-68.1173.81.7109.1E51 Y55 Q56 L57E51-R53 VanDerWaalsContact OE1-CB 3.22Å; E51-R53 WeakPolarHBondContact OE1-CB 3.4Å; E51-R53 WeakPolarHBondContact OE1-CG 2.98Å; E51-R53 IonicContact OE1-CZ 3.17Å; E51-R53 PolarHBondContact OE1-N 2.97Å; E51-R53 IonicContact OE1-NE 2.73Å; E51-R53 PolarHBondContact OE1-NE 3.16Å; E51-R53 IonicContact OE1-NH2 3.8Å; E51-R53 IonicContact OE2-CZ 3.01Å; E51-R53 IonicContact OE2-NE 3.14Å; E51-R53 PolarHBondContact OE2-NE 3.26Å; E51-R53 IonicContact OE2-NH2 2.59Å; E51-R53 PolarHBondContact OE2-NH2 3.07Å; R53-Y55 VanDerWaalsContact C-N 3.29Å; R53-Y55 PolarHBondContact O-N 3.26Å; R53-Q56 HydrophobicContact CB-CB 4.04Å; R53-Q56 PolarHBondContact O-N 3.5Å; R53-L57 PolarHBondContact O-N 2.98Å
54P95.1Very high97.6Very high26 Ų2643.7 Ų43.717%0.16920%0.201CC..Hα-helixtrans-56.4-38.7-176.1-27.835.3000114.3R52 Q56 L57 L58 T96 L97 H101R52-P54 WeakPolarHBondContact O-CD 3.46Å; P54-Q56 VanDerWaalsContact C-N 3.35Å; P54-Q56 PolarHBondContact O-N 2.82Å; P54-L57 WeakPolarHBondContact O-CB 3.46Å; P54-L57 PolarHBondContact O-N 3.12Å; P54-L58 PolarHBondContact O-N 3.29Å; P54-T96 HydrophobicContact CG-CG2 4.27Å; P54-T96 WeakPolarHBondContact CG-O 3.44Å; P54-L97 HydrophobicContact CB-CD2 4.3Å; P54-H101 WeakPolarHBondContact CB-CE1 3.3Å; P54-H101 WeakPolarHBondContact CB-ND1 3.49Å; P54-H101 WeakPolarHBondContact CB-NE2 3.48Å
55Y94.6Very high97.6Very high154 Ų15445 Ų4560%0.60421%0.208SC*.Hα-helixtrans-65.6-36.8176.5-67.3-72.8000112.8R53 L58 N59 H101R53-Y55 VanDerWaalsContact C-N 3.29Å; R53-Y55 PolarHBondContact O-N 3.26Å; Y55-L58 PolarHBondContact O-N 2.66Å; Y55-N59 VanDerWaalsContact O-CG 3.31Å; Y55-N59 PolarHBondContact O-N 2.93Å; Y55-N59 VanDerWaalsContact O-N 3.09Å; Y55-N59 PolarHBondContact O-ND2 3.45Å; Y55-H101 AromaticContact CD1-NE2 3.77Å; Y55-H101 AromaticContact CD2-NE2 3.99Å; Y55-H101 AromaticContact CE1-NE2 3.55Å; Y55-H101 AromaticContact CE2-NE2 3.8Å; Y55-H101 AromaticContact CG-NE2 3.98Å; Y55-H101 AromaticContact CZ-NE2 3.57Å
56Q97.5Very high97.5Very high20 Ų2046 Ų469%0.09321%0.213CC..Hα-helixtrans-73-38.1178.3-169.462.77.800111.2L13 V16 E51 R53 P54 L58 N59 L60L13-Q56 PolarHBondContact O-NE2 3.26Å; L13-Q56 VanDerWaalsContact O-NE2 3.12Å; V16-Q56 VanDerWaalsContact CG1-NE2 3.26Å; V16-Q56 PolarHBondContact O-NE2 3.03Å; V16-Q56 PolarHBondContact O-OE1 2.89Å; E51-Q56 HydrophobicContact CG-CB 3.78Å; E51-Q56 HydrophobicContact CG-CG 3.9Å; E51-Q56 WeakPolarHBondContact OE2-CG 3.47Å; R53-Q56 HydrophobicContact CB-CB 4.04Å; R53-Q56 PolarHBondContact O-N 3.5Å; P54-Q56 VanDerWaalsContact C-N 3.35Å; P54-Q56 PolarHBondContact O-N 2.82Å; Q56-L58 VanDerWaalsContact C-N 3.29Å; Q56-L58 PolarHBondContact O-N 2.6Å; Q56-N59 WeakPolarHBondContact O-CB 3.01Å; Q56-N59 PolarHBondContact O-N 2.99Å; Q56-N59 VanDerWaalsContact O-N 3.15Å; Q56-N59 PolarHBondContact OE1-ND2 3.45Å; Q56-N59 VanDerWaalsContact OE1-ND2 3.15Å; Q56-L60 WeakPolarHBondContact O-CG 3.45Å; Q56-L60 PolarHBondContact O-N 3.01Å
57L97.8Very high97.5Very high0 Ų042 Ų420%019%0.191CC..Hα-helixtrans-54.9-46.2169.9-69.9174.6000111.4V48 E51 R53 P54 N59 L60 F61 T93 T96 L97V48-L57 HydrophobicContact CG1-CD2 4.25Å; E51-L57 HydrophobicContact CB-CD2 3.7Å; E51-L57 HydrophobicContact CB-CG 4.33Å; E51-L57 HydrophobicContact CG-CD2 3.84Å; E51-L57 HydrophobicContact CG-CG 3.94Å; R53-L57 PolarHBondContact O-N 2.98Å; P54-L57 WeakPolarHBondContact O-CB 3.46Å; P54-L57 PolarHBondContact O-N 3.12Å; L57-N59 VanDerWaalsContact C-N 3.35Å; L57-N59 PolarHBondContact O-N 2.83Å; L57-L60 HydrophobicContact CD2-CD1 4.46Å; L57-L60 WeakPolarHBondContact O-CB 3.34Å; L57-L60 PolarHBondContact O-N 2.79Å; L57-F61 WeakPolarHBondContact O-CD2 3.16Å; L57-F61 PolarHBondContact O-N 3.48Å; L57-F61 VanDerWaalsContact O-N 3.07Å; L57-T93 HydrophobicContact CB-CG2 4.39Å; L57-T93 HydrophobicContact CD1-CG2 3.77Å; L57-T93 HydrophobicContact CD2-CG2 3.53Å; L57-T93 HydrophobicContact CG-CG2 4.09Å; L57-T96 HydrophobicContact CD1-CG2 3.97Å; L57-L97 HydrophobicContact CD1-CD2 4.19Å
58L96.8Very high97.4Very high18 Ų1841.2 Ų41.29%0.09419%0.185CC..Hα-helixtrans-61.1-42.1177.1-172.962.2000112.2P54 Y55 Q56 L60 F61 Y62 A104 F105P54-L58 PolarHBondContact O-N 3.29Å; Y55-L58 PolarHBondContact O-N 2.66Å; Q56-L58 VanDerWaalsContact C-N 3.29Å; Q56-L58 PolarHBondContact O-N 2.6Å; L58-L60 VanDerWaalsContact C-N 3.34Å; L58-L60 PolarHBondContact O-N 3.46Å; L58-F61 PolarHBondContact O-N 3.47Å; L58-Y62 HydrophobicContact CD1-CE1 3.93Å; L58-Y62 HydrophobicContact CD1-CE2 4.28Å; L58-Y62 HydrophobicContact CD2-CE2 4.02Å; L58-Y62 HydrophobicContact CG-CD2 4.3Å; L58-Y62 HydrophobicContact CG-CE1 4.27Å; L58-Y62 HydrophobicContact CG-CE2 3.69Å; L58-Y62 PolarHBondContact O-N 3.44Å; L58-A104 HydrophobicContact CD1-CB 3.92Å; L58-A104 HydrophobicContact CD2-CB 3.76Å; L58-F105 HydrophobicContact CB-CE2 4.45Å; L58-F105 HydrophobicContact CD1-CD2 4.04Å; L58-F105 HydrophobicContact CD1-CE2 3.95Å
59N98Very high97.2Very high12 Ų1247.1 Ų47.16%0.06421%0.207CC..Hα-helixtrans-60.7-41.4175.4-64.4-26.3000112V16 V18 Y55 Q56 L57 F61 Y62 V63V16-N59 HydrophobicContact CG1-CB 3.86Å; V18-N59 WeakPolarHBondContact CA-OD1 3.5Å; Y55-N59 VanDerWaalsContact O-CG 3.31Å; Y55-N59 PolarHBondContact O-N 2.93Å; Y55-N59 VanDerWaalsContact O-N 3.09Å; Y55-N59 PolarHBondContact O-ND2 3.45Å; Q56-N59 WeakPolarHBondContact O-CB 3.01Å; Q56-N59 PolarHBondContact O-N 2.99Å; Q56-N59 VanDerWaalsContact O-N 3.15Å; Q56-N59 PolarHBondContact OE1-ND2 3.45Å; Q56-N59 VanDerWaalsContact OE1-ND2 3.15Å; L57-N59 VanDerWaalsContact C-N 3.35Å; L57-N59 PolarHBondContact O-N 2.83Å; N59-F61 VanDerWaalsContact C-N 3.31Å; N59-F61 PolarHBondContact O-N 3.04Å; N59-Y62 PolarHBondContact O-N 3.46Å; N59-V63 WeakPolarHBondContact O-CG2 3.5Å; N59-V63 PolarHBondContact O-N 3.15Å
60L98.6Very high97Very high3 Ų345.6 Ų45.62%0.01620%0.199CC..Hα-helixtrans-61.9-39.3176.2-65.5173000111.6L13 V16 W44 A47 V48 E51 Q56 L57 L58 V63 A64L13-L60 HydrophobicContact CB-CD2 3.96Å; L13-L60 HydrophobicContact CD2-CD2 3.68Å; L13-L60 HydrophobicContact CG-CD2 4.35Å; V16-L60 HydrophobicContact CG1-CD2 4.14Å; W44-L60 PolarHBondContact NE1-O 3.3Å; A47-L60 HydrophobicContact CB-CD1 4.43Å; V48-L60 HydrophobicContact CG2-CB 4.08Å; V48-L60 HydrophobicContact CG2-CD1 3.9Å; E51-L60 HydrophobicContact CB-CD1 4.28Å; Q56-L60 WeakPolarHBondContact O-CG 3.45Å; Q56-L60 PolarHBondContact O-N 3.01Å; L57-L60 HydrophobicContact CD2-CD1 4.46Å; L57-L60 WeakPolarHBondContact O-CB 3.34Å; L57-L60 PolarHBondContact O-N 2.79Å; L58-L60 VanDerWaalsContact C-N 3.34Å; L58-L60 PolarHBondContact O-N 3.46Å; L60-V63 WeakPolarHBondContact O-CB 3.38Å; L60-V63 PolarHBondContact O-N 3.31Å; L60-A64 PolarHBondContact O-N 3.5Å; L60-A64 VanDerWaalsContact O-N 3.13Å
61F98.2Very high96.8Very high0 Ų041.2 Ų41.20%017%0.168CC..Hα-helixtrans-70.3-32.2174.9-87.9-100.8000112.8W44 V48 L57 L58 N59 A64 N65 F86 A89 M90 T93 F105 L108 W112W44-F61 HydrophobicContact CH2-CE1 4.39Å; W44-F61 HydrophobicContact CH2-CE2 4.35Å; W44-F61 HydrophobicContact CH2-CZ 4.21Å; W44-F61 HydrophobicContact CZ2-CD2 4.23Å; W44-F61 HydrophobicContact CZ2-CE2 4.31Å; W44-F61 HydrophobicContact CZ2-CG 4.4Å; V48-F61 HydrophobicContact CG1-CE2 4.14Å; V48-F61 HydrophobicContact CG2-CE2 4.42Å; L57-F61 WeakPolarHBondContact O-CD2 3.16Å; L57-F61 PolarHBondContact O-N 3.48Å; L57-F61 VanDerWaalsContact O-N 3.07Å; L58-F61 PolarHBondContact O-N 3.47Å; N59-F61 VanDerWaalsContact C-N 3.31Å; N59-F61 PolarHBondContact O-N 3.04Å; F61-A64 PolarHBondContact O-N 3.36Å; F61-N65 WeakPolarHBondContact O-CB 3.42Å; F61-N65 PolarHBondContact O-N 3.48Å; F61-F86 HydrophobicContact CD1-CE1 4.45Å; F61-F86 HydrophobicContact CE1-CD1 4.01Å; F61-F86 HydrophobicContact CE1-CE1 4.24Å; F61-A89 HydrophobicContact CZ-CB 3.87Å; F61-M90 HydrophobicContact CE1-SD 3.82Å; F61-M90 HydrophobicContact CZ-SD 3.74Å; F61-T93 HydrophobicContact CE2-CG2 4.01Å; F61-F105 HydrophobicContact CB-CE1 4.05Å; F61-F105 HydrophobicContact CB-CZ 4.33Å; F61-F105 HydrophobicContact CD1-CD1 4.16Å; F61-F105 AromaticContact CD1-CE1 3.51Å; F61-F105 HydrophobicContact CD1-CE1 3.51Å; F61-F105 HydrophobicContact CD1-CZ 4.43Å; F61-F105 AromaticContact CD2-CE1 3.48Å; F61-F105 HydrophobicContact CD2-CE1 3.48Å; F61-F105 VanDerWaalsContact CD2-CE1 3.48Å; F61-F105 AromaticContact CD2-CZ 3.63Å; F61-F105 HydrophobicContact CD2-CZ 3.63Å; F61-F105 HydrophobicContact CE1-CD1 4.35Å; F61-F105 AromaticContact CE1-CE1 3.68Å; F61-F105 HydrophobicContact CE1-CE1 3.68Å; F61-F105 AromaticContact CE2-CE1 3.65Å; F61-F105 HydrophobicContact CE2-CE1 3.65Å; F61-F105 AromaticContact CE2-CZ 3.94Å; F61-F105 HydrophobicContact CE2-CZ 3.94Å; F61-F105 HydrophobicContact CG-CD1 4.34Å; F61-F105 AromaticContact CG-CE1 3.38Å; F61-F105 HydrophobicContact CG-CE1 3.38Å; F61-F105 AromaticContact CG-CZ 3.88Å; F61-F105 HydrophobicContact CG-CZ 3.88Å; F61-F105 AromaticContact CZ-CE1 3.74Å; F61-F105 HydrophobicContact CZ-CE1 3.74Å; F61-F105 HydrophobicContact CZ-CZ 4.46Å; F61-L108 HydrophobicContact CB-CD2 3.81Å; F61-L108 HydrophobicContact CD1-CD2 4.22Å; F61-L108 HydrophobicContact CG-CD2 4.5Å; F61-W112 HydrophobicContact CD1-CH2 4.23Å
62Y98.2Very high96.4Very high72 Ų7242.1 Ų42.128%0.28218%0.179SC..Hα-helixtrans-66.7-35170.8-67-26.8000113I23 L58 N59 N65 E66 L108I23-Y62 HydrophobicContact CD1-CD2 4.07Å; I23-Y62 HydrophobicContact CD1-CG 4.4Å; L58-Y62 HydrophobicContact CD1-CE1 3.93Å; L58-Y62 HydrophobicContact CD1-CE2 4.28Å; L58-Y62 HydrophobicContact CD2-CE2 4.02Å; L58-Y62 HydrophobicContact CG-CD2 4.3Å; L58-Y62 HydrophobicContact CG-CE1 4.27Å; L58-Y62 HydrophobicContact CG-CE2 3.69Å; L58-Y62 PolarHBondContact O-N 3.44Å; N59-Y62 PolarHBondContact O-N 3.46Å; Y62-N65 PolarHBondContact O-N 3.26Å; Y62-E66 WeakPolarHBondContact O-CB 3.37Å; Y62-E66 PolarHBondContact O-N 2.91Å; Y62-L108 HydrophobicContact CD1-CD1 4.15Å; Y62-L108 HydrophobicContact CE1-CD1 4.29Å
63V98.4Very high96Very high0 Ų041 Ų410%019%0.185CC..Hα-helixtrans-60.6-50.1170.1172.70000110.6L13 V16 I23 V26 M30 N59 L60 N65 E66 V67L13-V63 HydrophobicContact CD2-CG1 4.47Å; V16-V63 HydrophobicContact CG2-CG2 3.82Å; I23-V63 HydrophobicContact CG2-CG2 4.13Å; V26-V63 HydrophobicContact CB-CG1 4.28Å; V26-V63 HydrophobicContact CB-CG2 4.13Å; V26-V63 HydrophobicContact CG1-CG1 3.75Å; V26-V63 HydrophobicContact CG1-CG2 4.14Å; M30-V63 HydrophobicContact SD-CG1 4.34Å; N59-V63 WeakPolarHBondContact O-CG2 3.5Å; N59-V63 PolarHBondContact O-N 3.15Å; L60-V63 WeakPolarHBondContact O-CB 3.38Å; L60-V63 PolarHBondContact O-N 3.31Å; V63-N65 VanDerWaalsContact C-N 3.31Å; V63-N65 PolarHBondContact O-N 3.34Å; V63-E66 PolarHBondContact O-N 3.21Å; V63-V67 HydrophobicContact CG1-CG2 4.5Å; V63-V67 WeakPolarHBondContact O-CG2 3.12Å; V63-V67 PolarHBondContact O-N 3.41Å
64A98.1Very high95.7Very high0 Ų040.3 Ų40.30%019%0.188CC..Hα-helixtrans-58.3-43.9178.400000112.1W44 L60 F61 E66 V67 I68 F82 F86W44-A64 HydrophobicContact CH2-CB 4.49Å; W44-A64 HydrophobicContact CZ2-CB 3.76Å; L60-A64 PolarHBondContact O-N 3.5Å; L60-A64 VanDerWaalsContact O-N 3.13Å; F61-A64 PolarHBondContact O-N 3.36Å; A64-E66 PolarHBondContact O-N 3.41Å; A64-V67 PolarHBondContact O-N 3.06Å; A64-I68 WeakPolarHBondContact O-CB 3.19Å; A64-I68 VanDerWaalsContact O-CG1 3.28Å; A64-I68 WeakPolarHBondContact O-CG1 3.31Å; A64-I68 PolarHBondContact O-N 3.02Å; A64-F82 HydrophobicContact CB-CD1 3.96Å; A64-F82 HydrophobicContact CB-CE1 3.54Å; A64-F82 HydrophobicContact CB-CZ 3.95Å; A64-F86 HydrophobicContact CB-CE1 4.16Å; A64-F86 HydrophobicContact CB-CZ 4.25Å
65N97.7Very high95.5Very high28 Ų2840.7 Ų40.715%0.1519%0.187CC..Hα-helixtrans-60.8-43.5176177.772.4000112.9F61 Y62 V63 I68 R69 L108 W112F61-N65 WeakPolarHBondContact O-CB 3.42Å; F61-N65 PolarHBondContact O-N 3.48Å; Y62-N65 PolarHBondContact O-N 3.26Å; V63-N65 VanDerWaalsContact C-N 3.31Å; V63-N65 PolarHBondContact O-N 3.34Å; N65-I68 PolarHBondContact O-N 2.9Å; N65-R69 WeakPolarHBondContact O-CB 3.49Å; N65-R69 PolarHBondContact O-N 3.28Å; N65-L108 HydrophobicContact CB-CD1 3.75Å; N65-W112 HydrophobicContact CB-CZ2 4.5Å; N65-W112 PolarHBondContact OD1-NE1 3.06Å
66E97.8Very high95.4Very high30 Ų3036.9 Ų36.914%0.1418%0.181CC..Hα-helixtrans-66.8-37.7178.9-177.161-174.600111.9I23 A27 Y62 V63 A64 R69 R70I23-E66 HydrophobicContact CG2-CB 4.09Å; A27-E66 HydrophobicContact CB-CB 4.03Å; A27-E66 HydrophobicContact CB-CG 3.67Å; Y62-E66 WeakPolarHBondContact O-CB 3.37Å; Y62-E66 PolarHBondContact O-N 2.91Å; V63-E66 PolarHBondContact O-N 3.21Å; A64-E66 PolarHBondContact O-N 3.41Å; E66-R69 VanDerWaalsContact CD-NH2 3.3Å; E66-R69 IonicContact OE1-CZ 3.58Å; E66-R69 IonicContact OE1-NE 3.86Å; E66-R69 IonicContact OE1-NH2 3.73Å; E66-R69 PolarHBondContact OE1-NH2 3.34Å; E66-R69 IonicContact OE2-CZ 3.58Å; E66-R69 IonicContact OE2-NE 3.85Å; E66-R69 PolarHBondContact OE2-NE 3.14Å; E66-R69 IonicContact OE2-NH2 2.8Å; E66-R69 PolarHBondContact OE2-NH2 2.88Å; E66-R69 VanDerWaalsContact OE2-NH2 3.17Å; E66-R70 WeakPolarHBondContact O-CG 3.44Å; E66-R70 PolarHBondContact O-N 3.45Å; E66-R70 VanDerWaalsContact O-N 3.16Å; E66-R70 IonicContact OE1-CZ 3.19Å; E66-R70 IonicContact OE1-NE 3.65Å; E66-R70 PolarHBondContact OE1-NE 3.48Å; E66-R70 IonicContact OE1-NH2 3.09Å; E66-R70 PolarHBondContact OE1-NH2 3.44Å
67V97.5Very high95.3Very high2 Ų238.5 Ų38.51%0.01219%0.193CC..Hα-helixtrans-64.1-48.9173.1176.50000110.8A27 M30 V63 A64 R69 R70 S71 Y78 F82A27-V67 HydrophobicContact CB-CG2 3.63Å; M30-V67 HydrophobicContact CB-CG2 4.02Å; M30-V67 HydrophobicContact CG-CG2 4.35Å; M30-V67 HydrophobicContact SD-CG2 3.7Å; V63-V67 HydrophobicContact CG1-CG2 4.5Å; V63-V67 WeakPolarHBondContact O-CG2 3.12Å; V63-V67 PolarHBondContact O-N 3.41Å; A64-V67 PolarHBondContact O-N 3.06Å; V67-R69 VanDerWaalsContact C-N 3.33Å; V67-R69 PolarHBondContact O-N 2.89Å; V67-R70 PolarHBondContact O-N 2.98Å; V67-S71 WeakPolarHBondContact O-CB 3.07Å; V67-S71 PolarHBondContact O-N 3.31Å; V67-S71 PolarHBondContact O-OG 2.95Å; V67-S71 VanDerWaalsContact O-OG 3.05Å; V67-Y78 HydrophobicContact CG1-CD1 4.2Å; V67-Y78 HydrophobicContact CG1-CD2 3.83Å; V67-Y78 HydrophobicContact CG1-CE2 4.18Å; V67-Y78 HydrophobicContact CG1-CG 3.88Å; V67-F82 HydrophobicContact CB-CE2 4.07Å; V67-F82 HydrophobicContact CG1-CE2 3.77Å
68I97Very high95.3Very high0 Ų038.5 Ų38.50%019%0.193CC..Hα-helixtrans-56.1-47.2177.7-73.2164.4000111.2A64 N65 R70 S71 A72 V79 F82 F86 Y117 F118A64-I68 WeakPolarHBondContact O-CB 3.19Å; A64-I68 VanDerWaalsContact O-CG1 3.28Å; A64-I68 WeakPolarHBondContact O-CG1 3.31Å; A64-I68 PolarHBondContact O-N 3.02Å; N65-I68 PolarHBondContact O-N 2.9Å; I68-R70 VanDerWaalsContact C-N 3.32Å; I68-R70 PolarHBondContact O-N 3.31Å; I68-S71 WeakPolarHBondContact CA-OG 3.45Å; I68-S71 PolarHBondContact O-N 2.9Å; I68-S71 PolarHBondContact O-OG 3.48Å; I68-A72 WeakPolarHBondContact O-CB 3.48Å; I68-A72 PolarHBondContact O-N 3.42Å; I68-V79 HydrophobicContact CG2-CG1 4.46Å; I68-V79 HydrophobicContact CG2-CG2 4.23Å; I68-F82 HydrophobicContact CD1-CB 3.93Å; I68-F82 HydrophobicContact CD1-CD2 4.33Å; I68-F82 HydrophobicContact CD1-CG 4.17Å; I68-F82 HydrophobicContact CG1-CB 4.25Å; I68-F82 HydrophobicContact CG1-CD2 3.94Å; I68-F82 HydrophobicContact CG1-CG 4.28Å; I68-F86 HydrophobicContact CD1-CE2 3.77Å; I68-F86 HydrophobicContact CD1-CZ 3.6Å; I68-Y117 HydrophobicContact CG2-CD1 3.96Å; I68-Y117 HydrophobicContact CG2-CD2 3.74Å; I68-Y117 HydrophobicContact CG2-CE1 4.36Å; I68-Y117 HydrophobicContact CG2-CE2 4.18Å; I68-Y117 HydrophobicContact CG2-CG 3.65Å; I68-F118 HydrophobicContact CD1-CE2 4.05Å; I68-F118 HydrophobicContact CD1-CZ 3.9Å
69R94.8Very high95.3Very high125 Ų12538.7 Ų38.747%0.47220%0.195SC..Hα-helixtrans-59.5-41.6-179.9-172.6-173.870.775.8-1.6112.1N65 E66 V67N65-R69 WeakPolarHBondContact O-CB 3.49Å; N65-R69 PolarHBondContact O-N 3.28Å; E66-R69 VanDerWaalsContact CD-NH2 3.3Å; E66-R69 IonicContact OE1-CZ 3.58Å; E66-R69 IonicContact OE1-NE 3.86Å; E66-R69 IonicContact OE1-NH2 3.73Å; E66-R69 PolarHBondContact OE1-NH2 3.34Å; E66-R69 IonicContact OE2-CZ 3.58Å; E66-R69 IonicContact OE2-NE 3.85Å; E66-R69 PolarHBondContact OE2-NE 3.14Å; E66-R69 IonicContact OE2-NH2 2.8Å; E66-R69 PolarHBondContact OE2-NH2 2.88Å; E66-R69 VanDerWaalsContact OE2-NH2 3.17Å; V67-R69 VanDerWaalsContact C-N 3.33Å; V67-R69 PolarHBondContact O-N 2.89Å
70R93.7Very high95.2Very high51 Ų5141.9 Ų41.919%0.19222%0.218CC..Hα-helixtrans-75.4-39.8177.8-68.7176-173.4-163.9-0.9112.1S24 D28 E66 V67 I68S24-R70 PolarHBondContact OG-NH2 3.12Å; D28-R70 IonicContact OD1-CZ 2.72Å; D28-R70 IonicContact OD1-NH1 2.77Å; D28-R70 PolarHBondContact OD1-NH1 3.45Å; D28-R70 IonicContact OD2-NH1 3.33Å; D28-R70 PolarHBondContact OD2-NH1 3.41Å; D28-R70 VanDerWaalsContact OD2-NH1 3.17Å; E66-R70 WeakPolarHBondContact O-CG 3.44Å; E66-R70 PolarHBondContact O-N 3.45Å; E66-R70 VanDerWaalsContact O-N 3.16Å; E66-R70 IonicContact OE1-CZ 3.19Å; E66-R70 IonicContact OE1-NE 3.65Å; E66-R70 PolarHBondContact OE1-NE 3.48Å; E66-R70 IonicContact OE1-NH2 3.09Å; E66-R70 PolarHBondContact OE1-NH2 3.44Å; V67-R70 PolarHBondContact O-N 2.98Å; I68-R70 VanDerWaalsContact C-N 3.32Å; I68-R70 PolarHBondContact O-N 3.31Å
71S92.2Very high95.2Very high0 Ų042.9 Ų42.90%022%0.224CC..Hα-helixtrans-78.6-26-173.176.70000112.5V67 I68 L73 H74 H75 P76 Y78V67-S71 WeakPolarHBondContact O-CB 3.07Å; V67-S71 PolarHBondContact O-N 3.31Å; V67-S71 PolarHBondContact O-OG 2.95Å; V67-S71 VanDerWaalsContact O-OG 3.05Å; I68-S71 WeakPolarHBondContact CA-OG 3.45Å; I68-S71 PolarHBondContact O-N 2.9Å; I68-S71 PolarHBondContact O-OG 3.48Å; S71-L73 PolarHBondContact O-N 3.27Å; S71-H74 PolarHBondContact O-N 3.35Å; S71-H75 VanDerWaalsContact CB-O 3.3Å; S71-H75 WeakPolarHBondContact CB-O 3.23Å; S71-H75 CarbonylContact O-C 3.59Å; S71-H75 WeakPolarHBondContact O-CA 3.45Å; S71-H75 PolarHBondContact O-N 2.8Å; S71-P76 VanDerWaalsContact O-N 3.07Å; S71-Y78 VanDerWaalsContact OG-CB 3.27Å; S71-Y78 WeakPolarHBondContact OG-CB 3.1Å
72A89.6Confident95.2Very high41 Ų4142.9 Ų42.934%0.33922%0.224SC..Hα-helixtrans-51.7-34.1179.500000113I68 V79 Y117I68-A72 WeakPolarHBondContact O-CB 3.48Å; I68-A72 PolarHBondContact O-N 3.42Å; A72-V79 HydrophobicContact CB-CG2 4.21Å; A72-Y117 HydrophobicContact CB-CD1 4.12Å; A72-Y117 HydrophobicContact CB-CE1 3.76Å
73L87.9Confident95.1Very high140 Ų14040.2 Ų40.273%0.73322%0.218SC*.Hα-helixtrans-92.4-42.4176-172.263.4000113.4S71S71-L73 PolarHBondContact O-N 3.27Å
74H89.7Confident95.1Very high125 Ų12543.7 Ų43.758%0.57924%0.242SC*.Hα-helixtrans-104.2-24.6-166.8-60.5-68.5000115.3Y31 S71Y31-H74 HydrophobicContact CE2-CB 4.04Å; Y31-H74 WeakPolarHBondContact OH-CB 3.31Å; S71-H74 PolarHBondContact O-N 3.35Å
75H92.1Very high95.1Very high34 Ų3444.1 Ų44.116%0.15725%0.245CC..  trans-146.769.6177.1-165.376.7000110.7Y31 R34 D37 S71 P77 Y78Y31-H75 HydrophobicContact CE2-CB 4.34Å; R34-H75 PolarHBondContact O-NE2 2.98Å; D37-H75 IonicContact OD2-CD2 2.67Å; D37-H75 IonicContact OD2-CE1 3.42Å; D37-H75 IonicContact OD2-NE2 2.83Å; D37-H75 PolarHBondContact OD2-NE2 3.09Å; S71-H75 VanDerWaalsContact CB-O 3.3Å; S71-H75 WeakPolarHBondContact CB-O 3.23Å; S71-H75 CarbonylContact O-C 3.59Å; S71-H75 WeakPolarHBondContact O-CA 3.45Å; S71-H75 PolarHBondContact O-N 2.8Å; H75-P77 WeakPolarHBondContact O-CD 3.44Å; H75-Y78 HydrophobicContact CB-CD2 4.4Å; H75-Y78 AromaticContact CD2-CD2 3.42Å; H75-Y78 VanDerWaalsContact CD2-CD2 3.42Å; H75-Y78 WeakPolarHBondContact CD2-CD2 3.49Å; H75-Y78 AromaticContact CD2-CE2 3.84Å; H75-Y78 AromaticContact CD2-CG 3.98Å; H75-Y78 PolarHBondContact O-N 3.01Å
76P91.9Very high95.1Very high73 Ų7342.8 Ų42.847%0.47424%0.238SC..THydrogen-bonded Turntrans-51.8-28.2-176.5-27.135.1000116.5S71 Y78 V79S71-P76 VanDerWaalsContact O-N 3.07Å; P76-Y78 PolarHBondContact O-N 3.47Å; P76-V79 WeakPolarHBondContact O-CB 3.23Å; P76-V79 PolarHBondContact O-N 3.21Å
77P96.1Very high95Very high54 Ų5445.2 Ų45.235%0.35125%0.249SC..Hα-helixtrans-52.1-37.7177.1-31.938.2000114.3D37 H75 V79 S80 I81D37-P77 WeakPolarHBondContact OD2-CB 3.29Å; H75-P77 WeakPolarHBondContact O-CD 3.44Å; P77-V79 PolarHBondContact O-N 3.13Å; P77-S80 PolarHBondContact O-N 3.21Å; P77-S80 PolarHBondContact O-OG 2.97Å; P77-I81 HydrophobicContact CB-CD1 4.25Å; P77-I81 VanDerWaalsContact O-CG1 3.28Å; P77-I81 WeakPolarHBondContact O-CG1 3.3Å; P77-I81 PolarHBondContact O-N 3.31Å
78Y97.3Very high95Very high0 Ų051.1 Ų51.10%027%0.271CS..Hα-helixtrans-55.3-38.9177.8-93-48.7000112.7M30 R34 D37 V41 V67 S71 H75 P76 S80 I81 F82M30-Y78 HydrophobicContact CE-CE1 3.91Å; M30-Y78 PolarHBondContact O-OH 3.24Å; R34-Y78 WeakPolarHBondContact CA-OH 3.36Å; R34-Y78 HydrophobicContact CB-CE2 3.74Å; D37-Y78 HydrophobicContact CB-CD1 3.8Å; D37-Y78 HydrophobicContact CB-CE1 3.33Å; D37-Y78 HydrophobicContact CB-CE2 4.23Å; D37-Y78 HydrophobicContact CB-CG 4.39Å; V41-Y78 HydrophobicContact CG2-CD1 3.87Å; V41-Y78 HydrophobicContact CG2-CE1 3.94Å; V67-Y78 HydrophobicContact CG1-CD1 4.2Å; V67-Y78 HydrophobicContact CG1-CD2 3.83Å; V67-Y78 HydrophobicContact CG1-CE2 4.18Å; V67-Y78 HydrophobicContact CG1-CG 3.88Å; S71-Y78 VanDerWaalsContact OG-CB 3.27Å; S71-Y78 WeakPolarHBondContact OG-CB 3.1Å; H75-Y78 HydrophobicContact CB-CD2 4.4Å; H75-Y78 AromaticContact CD2-CD2 3.42Å; H75-Y78 VanDerWaalsContact CD2-CD2 3.42Å; H75-Y78 WeakPolarHBondContact CD2-CD2 3.49Å; H75-Y78 AromaticContact CD2-CE2 3.84Å; H75-Y78 AromaticContact CD2-CG 3.98Å; H75-Y78 PolarHBondContact O-N 3.01Å; P76-Y78 PolarHBondContact O-N 3.47Å; Y78-S80 VanDerWaalsContact C-N 3.34Å; Y78-S80 PolarHBondContact O-N 3.45Å; Y78-I81 PolarHBondContact O-N 3.39Å; Y78-F82 HydrophobicContact CD1-CD2 4.3Å; Y78-F82 HydrophobicContact CD1-CE2 4.01Å; Y78-F82 WeakPolarHBondContact O-CB 3.35Å; Y78-F82 VanDerWaalsContact O-CD2 3.29Å; Y78-F82 WeakPolarHBondContact O-CD2 3.34Å; Y78-F82 PolarHBondContact O-N 2.98Å
79V96.5Very high95Very high22 Ų2251.1 Ų51.113%0.13327%0.271CS..Hα-helixtrans-61.5-46178.8-173.20000110I68 A72 P76 P77 G83 F118I68-V79 HydrophobicContact CG2-CG1 4.46Å; I68-V79 HydrophobicContact CG2-CG2 4.23Å; A72-V79 HydrophobicContact CB-CG2 4.21Å; P76-V79 WeakPolarHBondContact O-CB 3.23Å; P76-V79 PolarHBondContact O-N 3.21Å; P77-V79 PolarHBondContact O-N 3.13Å; V79-G83 PolarHBondContact O-N 3.13Å; V79-F118 HydrophobicContact CG1-CE1 3.88Å; V79-F118 HydrophobicContact CG1-CZ 4.08Å; V79-F118 WeakPolarHBondContact O-CE1 3.48Å
80S96.2Very high95Very high79 Ų7945.1 Ų45.155%0.55225%0.248SC*.Hα-helixtrans-67.4-39.3178.368.30000113.2P77 Y78 G83 S84P77-S80 PolarHBondContact O-N 3.21Å; P77-S80 PolarHBondContact O-OG 2.97Å; Y78-S80 VanDerWaalsContact C-N 3.34Å; Y78-S80 PolarHBondContact O-N 3.45Å; S80-G83 PolarHBondContact O-N 3.26Å; S80-S84 PolarHBondContact O-N 3.08Å; S80-S84 VanDerWaalsContact O-N 3.15Å
81I98.1Very high95Very high25 Ų2546 Ų4613%0.12826%0.257CS..Hα-helixtrans-69-47.7-179-62164000109.8D37 V38 V41 P77 Y78 G83 S84D37-I81 HydrophobicContact CB-CD1 3.83Å; D37-I81 WeakPolarHBondContact OD2-CD1 3.26Å; V38-I81 HydrophobicContact CG2-CD1 3.82Å; V38-I81 HydrophobicContact CG2-CG1 4.41Å; V41-I81 HydrophobicContact CB-CG2 3.66Å; V41-I81 HydrophobicContact CG1-CG2 3.84Å; V41-I81 HydrophobicContact CG2-CB 4.38Å; V41-I81 HydrophobicContact CG2-CG2 3.7Å; P77-I81 HydrophobicContact CB-CD1 4.25Å; P77-I81 VanDerWaalsContact O-CG1 3.28Å; P77-I81 WeakPolarHBondContact O-CG1 3.3Å; P77-I81 PolarHBondContact O-N 3.31Å; Y78-I81 PolarHBondContact O-N 3.39Å; I81-G83 VanDerWaalsContact C-N 3.33Å; I81-G83 PolarHBondContact O-N 3.31Å; I81-S84 PolarHBondContact O-N 3.1Å; I81-S84 PolarHBondContact O-OG 2.9Å
82F98.3Very high95.1Very high0 Ų047.1 Ų47.10%027%0.266CS..Hα-helixtrans-59-43.1173.7-87.4-67.3000112M30 V41 W44 A64 V67 I68 Y78 S84 V85 F86M30-F82 HydrophobicContact CE-CE2 4.13Å; M30-F82 HydrophobicContact CE-CZ 3.77Å; M30-F82 HydrophobicContact SD-CZ 4.28Å; V41-F82 HydrophobicContact CG1-CD1 3.98Å; V41-F82 HydrophobicContact CG1-CE1 4.1Å; V41-F82 HydrophobicContact CG1-CG 4.42Å; V41-F82 HydrophobicContact CG2-CD1 4.33Å; V41-F82 HydrophobicContact CG2-CD2 4.01Å; V41-F82 HydrophobicContact CG2-CE1 4.12Å; V41-F82 HydrophobicContact CG2-CE2 3.77Å; V41-F82 HydrophobicContact CG2-CG 4.29Å; V41-F82 HydrophobicContact CG2-CZ 3.85Å; W44-F82 AromaticContact CD2-CE1 3.8Å; W44-F82 HydrophobicContact CD2-CE1 3.8Å; W44-F82 HydrophobicContact CE3-CD1 4.29Å; W44-F82 AromaticContact CE3-CE1 3.85Å; W44-F82 HydrophobicContact CE3-CE1 3.85Å; W44-F82 HydrophobicContact CG-CE1 4.19Å; W44-F82 HydrophobicContact CZ3-CD1 4.33Å; W44-F82 HydrophobicContact CZ3-CE1 4.28Å; A64-F82 HydrophobicContact CB-CD1 3.96Å; A64-F82 HydrophobicContact CB-CE1 3.54Å; A64-F82 HydrophobicContact CB-CZ 3.95Å; V67-F82 HydrophobicContact CB-CE2 4.07Å; V67-F82 HydrophobicContact CG1-CE2 3.77Å; I68-F82 HydrophobicContact CD1-CB 3.93Å; I68-F82 HydrophobicContact CD1-CD2 4.33Å; I68-F82 HydrophobicContact CD1-CG 4.17Å; I68-F82 HydrophobicContact CG1-CB 4.25Å; I68-F82 HydrophobicContact CG1-CD2 3.94Å; I68-F82 HydrophobicContact CG1-CG 4.28Å; Y78-F82 HydrophobicContact CD1-CD2 4.3Å; Y78-F82 HydrophobicContact CD1-CE2 4.01Å; Y78-F82 WeakPolarHBondContact O-CB 3.35Å; Y78-F82 VanDerWaalsContact O-CD2 3.29Å; Y78-F82 WeakPolarHBondContact O-CD2 3.34Å; Y78-F82 PolarHBondContact O-N 2.98Å; F82-S84 PolarHBondContact O-N 3.1Å; F82-S84 VanDerWaalsContact O-N 3.15Å; F82-V85 HydrophobicContact CD1-CG2 4.34Å; F82-V85 WeakPolarHBondContact O-CG2 3.47Å; F82-V85 PolarHBondContact O-N 2.93Å; F82-F86 HydrophobicContact CB-CE2 3.76Å; F82-F86 HydrophobicContact CB-CZ 3.77Å; F82-F86 HydrophobicContact CD1-CE1 4.08Å; F82-F86 AromaticContact CD1-CZ 3.95Å; F82-F86 HydrophobicContact CD1-CZ 3.95Å; F82-F86 HydrophobicContact CG-CZ 4.15Å; F82-F86 VanDerWaalsContact O-CD2 3.25Å; F82-F86 WeakPolarHBondContact O-CD2 3.23Å; F82-F86 WeakPolarHBondContact O-CG 3.38Å; F82-F86 PolarHBondContact O-N 3Å; F82-F86 VanDerWaalsContact O-N 3.12Å
83G97Very high95.3Very high16 Ų1645.1 Ų45.117%0.16525%0.25CC..Hα-helixtrans-57.4-27.5174.100000114V79 S80 I81 Y122V79-G83 PolarHBondContact O-N 3.13Å; S80-G83 PolarHBondContact O-N 3.26Å; I81-G83 VanDerWaalsContact C-N 3.33Å; I81-G83 PolarHBondContact O-N 3.31Å; G83-Y122 PolarHBondContact O-OH 3.41Å
84S97.5Very high95.5Very high72 Ų7238.6 Ų38.650%0.50322%0.216SC..THydrogen-bonded Turntrans-82.8-9177.578.60000114.8S80 I81 F82 R88S80-S84 PolarHBondContact O-N 3.08Å; S80-S84 VanDerWaalsContact O-N 3.15Å; I81-S84 PolarHBondContact O-N 3.1Å; I81-S84 PolarHBondContact O-OG 2.9Å; F82-S84 PolarHBondContact O-N 3.1Å; F82-S84 VanDerWaalsContact O-N 3.15Å; S84-R88 PolarHBondContact O-NH2 3.18Å; S84-R88 VanDerWaalsContact O-NH2 3.11Å
85V98Very high95.6Very high10 Ų1036.2 Ų36.26%0.06121%0.212CC..THydrogen-bonded Turntrans-116-17.1-177.4-61.20000113.9V41 W44 L45 F82 E87 R88 A89V41-V85 HydrophobicContact CG1-CB 4.44Å; V41-V85 HydrophobicContact CG1-CG1 4.09Å; V41-V85 HydrophobicContact CG1-CG2 3.53Å; W44-V85 HydrophobicContact CE3-CG2 4.41Å; W44-V85 HydrophobicContact CZ3-CG2 4.01Å; L45-V85 HydrophobicContact CD1-CB 4.49Å; L45-V85 HydrophobicContact CD2-CB 4.13Å; L45-V85 HydrophobicContact CD2-CG1 4.12Å; F82-V85 HydrophobicContact CD1-CG2 4.34Å; F82-V85 WeakPolarHBondContact O-CG2 3.47Å; F82-V85 PolarHBondContact O-N 2.93Å; V85-E87 PolarHBondContact O-N 3.47Å; V85-R88 PolarHBondContact O-N 3.24Å; V85-A89 PolarHBondContact O-N 2.97Å
86F97.8Very high95.6Very high0 Ų036.1 Ų36.10%021%0.213CC..Hα-helixtrans-61.3-39.3-174.3-74.4-48.1000114.1W44 F61 A64 I68 F82 R88 A89 M90 W112 F118 Y122 L126W44-F86 AromaticContact CH2-CD1 3.92Å; W44-F86 HydrophobicContact CH2-CD1 3.92Å; W44-F86 AromaticContact CH2-CE1 3.74Å; W44-F86 HydrophobicContact CH2-CE1 3.74Å; W44-F86 HydrophobicContact CZ2-CE1 4.34Å; W44-F86 HydrophobicContact CZ3-CD1 4.42Å; W44-F86 HydrophobicContact CZ3-CE1 4.36Å; F61-F86 HydrophobicContact CD1-CE1 4.45Å; F61-F86 HydrophobicContact CE1-CD1 4.01Å; F61-F86 HydrophobicContact CE1-CE1 4.24Å; A64-F86 HydrophobicContact CB-CE1 4.16Å; A64-F86 HydrophobicContact CB-CZ 4.25Å; I68-F86 HydrophobicContact CD1-CE2 3.77Å; I68-F86 HydrophobicContact CD1-CZ 3.6Å; F82-F86 HydrophobicContact CB-CE2 3.76Å; F82-F86 HydrophobicContact CB-CZ 3.77Å; F82-F86 HydrophobicContact CD1-CE1 4.08Å; F82-F86 AromaticContact CD1-CZ 3.95Å; F82-F86 HydrophobicContact CD1-CZ 3.95Å; F82-F86 HydrophobicContact CG-CZ 4.15Å; F82-F86 VanDerWaalsContact O-CD2 3.25Å; F82-F86 WeakPolarHBondContact O-CD2 3.23Å; F82-F86 WeakPolarHBondContact O-CG 3.38Å; F82-F86 PolarHBondContact O-N 3Å; F82-F86 VanDerWaalsContact O-N 3.12Å; F86-R88 VanDerWaalsContact C-N 3.33Å; F86-R88 PolarHBondContact O-N 2.95Å; F86-A89 CarbonylContact O-C 3.56Å; F86-A89 WeakPolarHBondContact O-CA 3.44Å; F86-A89 WeakPolarHBondContact O-CB 3.43Å; F86-A89 PolarHBondContact O-N 3.28Å; F86-M90 VanDerWaalsContact O-CG 3.25Å; F86-M90 WeakPolarHBondContact O-CG 3.34Å; F86-M90 PolarHBondContact O-N 3.35Å; F86-W112 HydrophobicContact CD1-CH2 4.04Å; F86-W112 HydrophobicContact CD1-CZ3 4.44Å; F86-W112 HydrophobicContact CD2-CH2 4.08Å; F86-W112 AromaticContact CD2-CZ3 3.89Å; F86-W112 HydrophobicContact CD2-CZ3 3.89Å; F86-W112 AromaticContact CE1-CH2 3.59Å; F86-W112 HydrophobicContact CE1-CH2 3.59Å; F86-W112 HydrophobicContact CE1-CZ2 4.3Å; F86-W112 HydrophobicContact CE1-CZ3 4.33Å; F86-W112 HydrophobicContact CE2-CE3 4.47Å; F86-W112 AromaticContact CE2-CH2 3.6Å; F86-W112 HydrophobicContact CE2-CH2 3.6Å; F86-W112 HydrophobicContact CE2-CZ2 4.22Å; F86-W112 AromaticContact CE2-CZ3 3.73Å; F86-W112 HydrophobicContact CE2-CZ3 3.73Å; F86-W112 HydrophobicContact CG-CH2 4.29Å; F86-W112 HydrophobicContact CG-CZ3 4.24Å; F86-W112 AromaticContact CZ-CH2 3.33Å; F86-W112 HydrophobicContact CZ-CH2 3.33Å; F86-W112 AromaticContact CZ-CZ2 3.8Å; F86-W112 HydrophobicContact CZ-CZ2 3.8Å; F86-W112 AromaticContact CZ-CZ3 3.97Å; F86-W112 HydrophobicContact CZ-CZ3 3.97Å; F86-F118 HydrophobicContact CD2-CE2 4.31Å; F86-F118 HydrophobicContact CD2-CZ 4.17Å; F86-F118 AromaticContact CE2-CE2 3.74Å; F86-F118 HydrophobicContact CE2-CE2 3.74Å; F86-F118 AromaticContact CE2-CZ 3.61Å; F86-F118 HydrophobicContact CE2-CZ 3.61Å; F86-Y122 WeakPolarHBondContact CB-OH 3.48Å; F86-L126 HydrophobicContact CB-CD1 4.07Å; F86-L126 HydrophobicContact CB-CD2 4.03Å
87E95.7Very high95.6Very high80 Ų8033 Ų3337%0.37419%0.193SC..Hα-helixtrans-57.2-47.8176.6-67-176.6160.700111.2V85 A89 M90 D91 N125 L126V85-E87 PolarHBondContact O-N 3.47Å; E87-A89 VanDerWaalsContact C-N 3.3Å; E87-A89 PolarHBondContact O-N 2.85Å; E87-M90 WeakPolarHBondContact O-CB 3.49Å; E87-M90 PolarHBondContact O-N 2.9Å; E87-M90 VanDerWaalsContact O-N 3.09Å; E87-D91 VanDerWaalsContact O-CG 3.28Å; E87-D91 PolarHBondContact O-N 3.32Å; E87-N125 PolarHBondContact OE1-ND2 2.82Å; E87-L126 HydrophobicContact CB-CD2 4.5Å; E87-L126 HydrophobicContact CG-CD2 3.72Å
88R96.6Very high95.3Very high126 Ų12636.2 Ų36.248%0.47520%0.203SC..Hα-helixtrans-63.3-33.3175-69.6-179.3-76.8172-5.6113.3L45 S84 V85 F86 A92L45-R88 HydrophobicContact CD1-CB 4.44Å; S84-R88 PolarHBondContact O-NH2 3.18Å; S84-R88 VanDerWaalsContact O-NH2 3.11Å; V85-R88 PolarHBondContact O-N 3.24Å; F86-R88 VanDerWaalsContact C-N 3.33Å; F86-R88 PolarHBondContact O-N 2.95Å; R88-A92 PolarHBondContact O-N 2.76Å
89A97.4Very high94.8Very high0 Ų043.7 Ų43.70%023%0.232CC..Hα-helixtrans-69.2-39.4174.300000111.1W44 L45 V48 F61 V85 F86 E87 D91 A92 T93W44-A89 HydrophobicContact CH2-CB 3.9Å; W44-A89 HydrophobicContact CZ3-CB 4Å; L45-A89 HydrophobicContact CD1-CB 3.83Å; V48-A89 HydrophobicContact CG1-CB 4.05Å; F61-A89 HydrophobicContact CZ-CB 3.87Å; V85-A89 PolarHBondContact O-N 2.97Å; F86-A89 CarbonylContact O-C 3.56Å; F86-A89 WeakPolarHBondContact O-CA 3.44Å; F86-A89 WeakPolarHBondContact O-CB 3.43Å; F86-A89 PolarHBondContact O-N 3.28Å; E87-A89 VanDerWaalsContact C-N 3.3Å; E87-A89 PolarHBondContact O-N 2.85Å; A89-D91 VanDerWaalsContact C-N 3.34Å; A89-A92 PolarHBondContact O-N 3.11Å; A89-T93 WeakPolarHBondContact O-CB 3.28Å; A89-T93 VanDerWaalsContact O-CG2 3.31Å; A89-T93 WeakPolarHBondContact O-CG2 3.33Å; A89-T93 PolarHBondContact O-N 3.09Å; A89-T93 PolarHBondContact O-OG1 3.29Å
90M94.9Very high94.3Very high0 Ų047.9 Ų47.90%025%0.252CS..Hα-helixtrans-66-38.1174.9-63.5-49.4-78.500111.2F61 F86 E87 A92 T93 G94 F105 F109 L126 L130F61-M90 HydrophobicContact CE1-SD 3.82Å; F61-M90 HydrophobicContact CZ-SD 3.74Å; F86-M90 VanDerWaalsContact O-CG 3.25Å; F86-M90 WeakPolarHBondContact O-CG 3.34Å; F86-M90 PolarHBondContact O-N 3.35Å; E87-M90 WeakPolarHBondContact O-CB 3.49Å; E87-M90 PolarHBondContact O-N 2.9Å; E87-M90 VanDerWaalsContact O-N 3.09Å; M90-A92 VanDerWaalsContact C-N 3.28Å; M90-A92 PolarHBondContact O-N 3.25Å; M90-T93 WeakPolarHBondContact CA-OG1 3.46Å; M90-T93 PolarHBondContact O-N 2.95Å; M90-T93 PolarHBondContact O-OG1 3.48Å; M90-G94 PolarHBondContact O-N 2.86Å; M90-F105 HydrophobicContact CE-CD1 4.29Å; M90-F105 HydrophobicContact SD-CD1 4.41Å; M90-F105 HydrophobicContact SD-CE1 4.38Å; M90-F109 HydrophobicContact CE-CE2 3.68Å; M90-F109 HydrophobicContact CE-CZ 3.36Å; M90-F109 HydrophobicContact SD-CZ 3.73Å; M90-L126 HydrophobicContact CG-CD2 4.02Å; M90-L130 HydrophobicContact CE-CB 3.55Å; M90-L130 HydrophobicContact CE-CD1 3.62Å; M90-L130 HydrophobicContact CE-CD2 4.01Å; M90-L130 HydrophobicContact CE-CG 3.91Å
91D94.2Very high94.1Very high68 Ų6844.4 Ų44.436%0.36423%0.227SC..Hα-helixtrans-59.6-40.5176.2-65.7-21.7000112.6E87 A89 P95 H129 Y133E87-D91 VanDerWaalsContact O-CG 3.28Å; E87-D91 PolarHBondContact O-N 3.32Å; A89-D91 VanDerWaalsContact C-N 3.34Å; D91-P95 WeakPolarHBondContact O-CD 3.48Å; D91-H129 IonicContact OD1-CD2 2.78Å; D91-H129 PolarHBondContact OD1-CD2 2.95Å; D91-H129 IonicContact OD1-NE2 3.61Å; D91-H129 PolarHBondContact OD1-NE2 3.44Å; D91-Y133 WeakPolarHBondContact CA-OH 3.46Å; D91-Y133 PolarHBondContact OD1-OH 2.74Å
92A94.2Very high93.8Very high24 Ų2443.9 Ų43.920%0.19822%0.224CC..Hα-helixtrans-75.8-33.8-18000000112.8K49 R88 A89 M90K49-A92 HydrophobicContact CB-CB 4.42Å; K49-A92 HydrophobicContact CG-CB 3.88Å; R88-A92 PolarHBondContact O-N 2.76Å; A89-A92 PolarHBondContact O-N 3.11Å; M90-A92 VanDerWaalsContact C-N 3.28Å; M90-A92 PolarHBondContact O-N 3.25Å
93T94.6Very high93.5Very high0 Ų048 Ų480%025%0.249CC..Hα-helixtrans-88.3-36.8-174.852.20000113.6V48 L57 F61 A89 M90 T96 L97V48-T93 HydrophobicContact CG1-CG2 3.45Å; V48-T93 VanDerWaalsContact CG1-CG2 3.45Å; L57-T93 HydrophobicContact CB-CG2 4.39Å; L57-T93 HydrophobicContact CD1-CG2 3.77Å; L57-T93 HydrophobicContact CD2-CG2 3.53Å; L57-T93 HydrophobicContact CG-CG2 4.09Å; F61-T93 HydrophobicContact CE2-CG2 4.01Å; A89-T93 WeakPolarHBondContact O-CB 3.28Å; A89-T93 VanDerWaalsContact O-CG2 3.31Å; A89-T93 WeakPolarHBondContact O-CG2 3.33Å; A89-T93 PolarHBondContact O-N 3.09Å; A89-T93 PolarHBondContact O-OG1 3.29Å; M90-T93 WeakPolarHBondContact CA-OG1 3.46Å; M90-T93 PolarHBondContact O-N 2.95Å; M90-T93 PolarHBondContact O-OG1 3.48Å; T93-T96 WeakPolarHBondContact O-CA 3.37Å; T93-T96 WeakPolarHBondContact O-CB 3.37Å; T93-T96 PolarHBondContact O-N 3.35Å; T93-L97 WeakPolarHBondContact O-CG 3.41Å; T93-L97 PolarHBondContact O-N 3.27Å
94G91.1Very high93.3Very high2 Ų248.3 Ų48.32%0.02125%0.25CS..G310 helixtrans-45.2-50.1-173.900000114.9M90 T96 L97M90-G94 PolarHBondContact O-N 2.86Å; G94-T96 PolarHBondContact O-N 3.02Å; G94-T96 VanDerWaalsContact O-N 3.17Å; G94-L97 PolarHBondContact O-N 2.86Å
95P91.8Very high93.2Very high75 Ų7544.9 Ų44.949%0.48723%0.226SC..G310 helixtrans-63.3-20.5178.8-24.134.5000115.2D91 Y133D91-P95 WeakPolarHBondContact O-CD 3.48Å; P95-Y133 HydrophobicContact CG-CD1 3.85Å; P95-Y133 HydrophobicContact CG-CE1 3.81Å
96T92.1Very high93Very high32 Ų3245 Ų4520%0.19623%0.229CC..G310 helixtrans-92.9-21.1-175.4-50.50000112R52 P54 L57 T93 G94R52-T96 WeakPolarHBondContact O-CG2 3.49Å; P54-T96 HydrophobicContact CG-CG2 4.27Å; P54-T96 WeakPolarHBondContact CG-O 3.44Å; L57-T96 HydrophobicContact CD1-CG2 3.97Å; T93-T96 WeakPolarHBondContact O-CA 3.37Å; T93-T96 WeakPolarHBondContact O-CB 3.37Å; T93-T96 PolarHBondContact O-N 3.35Å; G94-T96 PolarHBondContact O-N 3.02Å; G94-T96 VanDerWaalsContact O-N 3.17Å
97L92.8Very high92.8Very high8 Ų850 Ų504%0.04225%0.252CS..  trans-83.8128-170.4-63.5175.5000112.1P54 L57 T93 G94 H101 M102 F105 L130P54-L97 HydrophobicContact CB-CD2 4.3Å; L57-L97 HydrophobicContact CD1-CD2 4.19Å; T93-L97 WeakPolarHBondContact O-CG 3.41Å; T93-L97 PolarHBondContact O-N 3.27Å; G94-L97 PolarHBondContact O-N 2.86Å; L97-H101 HydrophobicContact CB-CB 4.31Å; L97-H101 HydrophobicContact CD2-CB 3.82Å; L97-M102 HydrophobicContact CB-CG 4.27Å; L97-F105 HydrophobicContact CD1-CD2 3.82Å; L97-F105 HydrophobicContact CD1-CE2 3.62Å; L97-F105 HydrophobicContact CD1-CG 4.42Å; L97-F105 HydrophobicContact CD1-CZ 4.03Å; L97-F105 HydrophobicContact CD2-CD2 4.39Å; L97-F105 HydrophobicContact CD2-CE2 3.7Å; L97-F105 HydrophobicContact CD2-CZ 4.38Å; L97-F105 HydrophobicContact CG-CE2 4.34Å; L97-L130 HydrophobicContact CD1-CD1 3.51Å
98E90.2Very high92.8Very high121 Ų12146.6 Ų46.657%0.56524%0.237SC*.  trans-80165.6165.4-56.9177.3172.600111.4I100 H101 M102E98-I100 VanDerWaalsContact C-N 3.26Å; E98-I100 HydrophobicContact CB-CG2 4.41Å; E98-I100 PolarHBondContact O-N 3.25Å; E98-I100 VanDerWaalsContact O-N 3.17Å; E98-H101 WeakPolarHBondContact O-CB 3.36Å; E98-H101 PolarHBondContact O-N 2.83Å; E98-H101 IonicContact OE2-CE1 3.53Å; E98-M102 PolarHBondContact O-N 3.36Å
99R85.6Confident92.8Very high158 Ų15840.6 Ų40.660%0.59621%0.214SC*.Hα-helixtrans-55.1-37.8-177.7-166.6177.1-174.8-149.71.4113.6H101 M102 V103R99-H101 VanDerWaalsContact C-N 3.3Å; R99-H101 PolarHBondContact O-N 2.92Å; R99-M102 WeakPolarHBondContact O-CB 3.41Å; R99-M102 PolarHBondContact O-N 3.44Å; R99-V103 WeakPolarHBondContact O-CG2 3.35Å; R99-V103 PolarHBondContact O-N 3.15Å; R99-V103 VanDerWaalsContact O-N 3.09Å
100I87.4Confident92.6Very high110 Ų11045 Ų4556%0.56423%0.233SC*.Hα-helixtrans-62.2-39.3177.7-169.3168.5000111.7E98 V103 A104E98-I100 VanDerWaalsContact C-N 3.26Å; E98-I100 HydrophobicContact CB-CG2 4.41Å; E98-I100 PolarHBondContact O-N 3.25Å; E98-I100 VanDerWaalsContact O-N 3.17Å; I100-V103 PolarHBondContact O-N 3.27Å; I100-A104 PolarHBondContact O-N 2.91Å
101H91.7Very high92.5Very high5 Ų547.7 Ų47.72%0.02325%0.249CC..Hα-helixtrans-71-41.5176.4-52.996.4000110.4P54 Y55 L97 E98 R99 V103 A104 F105P54-H101 WeakPolarHBondContact CB-CE1 3.3Å; P54-H101 WeakPolarHBondContact CB-ND1 3.49Å; P54-H101 WeakPolarHBondContact CB-NE2 3.48Å; Y55-H101 AromaticContact CD1-NE2 3.77Å; Y55-H101 AromaticContact CD2-NE2 3.99Å; Y55-H101 AromaticContact CE1-NE2 3.55Å; Y55-H101 AromaticContact CE2-NE2 3.8Å; Y55-H101 AromaticContact CG-NE2 3.98Å; Y55-H101 AromaticContact CZ-NE2 3.57Å; L97-H101 HydrophobicContact CB-CB 4.31Å; L97-H101 HydrophobicContact CD2-CB 3.82Å; E98-H101 WeakPolarHBondContact O-CB 3.36Å; E98-H101 PolarHBondContact O-N 2.83Å; E98-H101 IonicContact OE2-CE1 3.53Å; R99-H101 VanDerWaalsContact C-N 3.3Å; R99-H101 PolarHBondContact O-N 2.92Å; H101-V103 PolarHBondContact O-N 2.95Å; H101-A104 WeakPolarHBondContact O-CA 3.44Å; H101-A104 WeakPolarHBondContact O-CB 3.36Å; H101-A104 PolarHBondContact O-N 3.03Å; H101-F105 WeakPolarHBondContact O-CD2 3.47Å; H101-F105 PolarHBondContact O-N 3.39Å
102M92Very high92.6Very high14 Ų1444.4 Ų44.47%0.06923%0.232CC..Hα-helixtrans-56.4-35.4175.6-65.2178.8169.600112.8L97 E98 R99 G106 L130 Y131L97-M102 HydrophobicContact CB-CG 4.27Å; E98-M102 PolarHBondContact O-N 3.36Å; R99-M102 WeakPolarHBondContact O-CB 3.41Å; R99-M102 PolarHBondContact O-N 3.44Å; M102-G106 PolarHBondContact O-N 2.93Å; M102-L130 HydrophobicContact CB-CD2 4.41Å; M102-L130 HydrophobicContact CG-CD1 4.17Å; M102-L130 HydrophobicContact CG-CG 4.29Å; M102-Y131 HydrophobicContact CB-CE1 4.09Å; M102-Y131 HydrophobicContact SD-CD1 4.35Å
103V91.4Very high92.5Very high87 Ų8746.1 Ų46.153%0.52724%0.236SC..Hα-helixtrans-64.4-45.7173.1173.80000111.1R99 I100 H101 F105 G106 E107R99-V103 WeakPolarHBondContact O-CG2 3.35Å; R99-V103 PolarHBondContact O-N 3.15Å; R99-V103 VanDerWaalsContact O-N 3.09Å; I100-V103 PolarHBondContact O-N 3.27Å; H101-V103 PolarHBondContact O-N 2.95Å; V103-F105 VanDerWaalsContact C-N 3.35Å; V103-F105 PolarHBondContact O-N 3.45Å; V103-G106 WeakPolarHBondContact O-CA 3.49Å; V103-G106 PolarHBondContact O-N 3.17Å; V103-G106 VanDerWaalsContact O-N 3.1Å; V103-E107 PolarHBondContact O-N 3.4Å
104A93.3Very high92.3Very high23 Ų2351.3 Ų51.319%0.1926%0.26CS..Hα-helixtrans-62.3-40178.100000112.6L58 I100 H101 E107 L108L58-A104 HydrophobicContact CD1-CB 3.92Å; L58-A104 HydrophobicContact CD2-CB 3.76Å; I100-A104 PolarHBondContact O-N 2.91Å; H101-A104 WeakPolarHBondContact O-CA 3.44Å; H101-A104 WeakPolarHBondContact O-CB 3.36Å; H101-A104 PolarHBondContact O-N 3.03Å; A104-E107 PolarHBondContact O-N 3.46Å; A104-L108 PolarHBondContact O-N 3.03Å; A104-L108 VanDerWaalsContact O-N 3.08Å
105F94.9Very high92.4Very high0 Ų056.7 Ų56.70%029%0.285CS..Hα-helixtrans-64.3-39.2171.4-85.3-93.3000112.1L58 F61 M90 L97 H101 V103 E107 L108 F109 L130L58-F105 HydrophobicContact CB-CE2 4.45Å; L58-F105 HydrophobicContact CD1-CD2 4.04Å; L58-F105 HydrophobicContact CD1-CE2 3.95Å; F61-F105 HydrophobicContact CB-CE1 4.05Å; F61-F105 HydrophobicContact CB-CZ 4.33Å; F61-F105 HydrophobicContact CD1-CD1 4.16Å; F61-F105 AromaticContact CD1-CE1 3.51Å; F61-F105 HydrophobicContact CD1-CE1 3.51Å; F61-F105 HydrophobicContact CD1-CZ 4.43Å; F61-F105 AromaticContact CD2-CE1 3.48Å; F61-F105 HydrophobicContact CD2-CE1 3.48Å; F61-F105 VanDerWaalsContact CD2-CE1 3.48Å; F61-F105 AromaticContact CD2-CZ 3.63Å; F61-F105 HydrophobicContact CD2-CZ 3.63Å; F61-F105 HydrophobicContact CE1-CD1 4.35Å; F61-F105 AromaticContact CE1-CE1 3.68Å; F61-F105 HydrophobicContact CE1-CE1 3.68Å; F61-F105 AromaticContact CE2-CE1 3.65Å; F61-F105 HydrophobicContact CE2-CE1 3.65Å; F61-F105 AromaticContact CE2-CZ 3.94Å; F61-F105 HydrophobicContact CE2-CZ 3.94Å; F61-F105 HydrophobicContact CG-CD1 4.34Å; F61-F105 AromaticContact CG-CE1 3.38Å; F61-F105 HydrophobicContact CG-CE1 3.38Å; F61-F105 AromaticContact CG-CZ 3.88Å; F61-F105 HydrophobicContact CG-CZ 3.88Å; F61-F105 AromaticContact CZ-CE1 3.74Å; F61-F105 HydrophobicContact CZ-CE1 3.74Å; F61-F105 HydrophobicContact CZ-CZ 4.46Å; M90-F105 HydrophobicContact CE-CD1 4.29Å; M90-F105 HydrophobicContact SD-CD1 4.41Å; M90-F105 HydrophobicContact SD-CE1 4.38Å; L97-F105 HydrophobicContact CD1-CD2 3.82Å; L97-F105 HydrophobicContact CD1-CE2 3.62Å; L97-F105 HydrophobicContact CD1-CG 4.42Å; L97-F105 HydrophobicContact CD1-CZ 4.03Å; L97-F105 HydrophobicContact CD2-CD2 4.39Å; L97-F105 HydrophobicContact CD2-CE2 3.7Å; L97-F105 HydrophobicContact CD2-CZ 4.38Å; L97-F105 HydrophobicContact CG-CE2 4.34Å; H101-F105 WeakPolarHBondContact O-CD2 3.47Å; H101-F105 PolarHBondContact O-N 3.39Å; V103-F105 VanDerWaalsContact C-N 3.35Å; V103-F105 PolarHBondContact O-N 3.45Å; F105-E107 VanDerWaalsContact C-N 3.34Å; F105-E107 PolarHBondContact O-N 2.87Å; F105-L108 WeakPolarHBondContact O-CB 3.39Å; F105-L108 PolarHBondContact O-N 3.43Å; F105-F109 HydrophobicContact CB-CE2 4.42Å; F105-F109 HydrophobicContact CD1-CZ 4.15Å; F105-F109 WeakPolarHBondContact O-CD2 3.37Å; F105-F109 VanDerWaalsContact O-CG 3.23Å; F105-F109 WeakPolarHBondContact O-CG 3.44Å; F105-F109 PolarHBondContact O-N 3.49Å; F105-L130 HydrophobicContact CB-CD2 3.53Å; F105-L130 HydrophobicContact CG-CD2 4.33Å
106G93.6Very high92.5Very high11 Ų1161.2 Ų61.211%0.11330%0.299CS..Hα-helixtrans-58.2-43.1174.700000113M102 V103 F109 K110M102-G106 PolarHBondContact O-N 2.93Å; V103-G106 WeakPolarHBondContact O-CA 3.49Å; V103-G106 PolarHBondContact O-N 3.17Å; V103-G106 VanDerWaalsContact O-N 3.1Å; G106-F109 PolarHBondContact O-N 3.31Å; G106-K110 PolarHBondContact O-N 2.95Å
107E94.5Very high92.5Very high105 Ų10561.9 Ų61.949%0.49130%0.298SS..Hα-helixtrans-66.3-39.6174.3-68.9-60.2141.500112.1V103 A104 F105 F109 K110 V111V103-E107 PolarHBondContact O-N 3.4Å; A104-E107 PolarHBondContact O-N 3.46Å; F105-E107 VanDerWaalsContact C-N 3.34Å; F105-E107 PolarHBondContact O-N 2.87Å; E107-F109 PolarHBondContact O-N 3.31Å; E107-K110 WeakPolarHBondContact O-CB 3.34Å; E107-K110 PolarHBondContact O-N 3.37Å; E107-V111 PolarHBondContact O-N 3.01Å; E107-V111 VanDerWaalsContact O-N 3.08Å
108L95.4Very high92.6Very high9 Ų962.5 Ų62.55%0.04730%0.301CS..Hα-helixtrans-59.9-45.8174.7-172.263.9000111.7F61 Y62 N65 A104 F105 K110 V111 W112F61-L108 HydrophobicContact CB-CD2 3.81Å; F61-L108 HydrophobicContact CD1-CD2 4.22Å; F61-L108 HydrophobicContact CG-CD2 4.5Å; Y62-L108 HydrophobicContact CD1-CD1 4.15Å; Y62-L108 HydrophobicContact CE1-CD1 4.29Å; N65-L108 HydrophobicContact CB-CD1 3.75Å; A104-L108 PolarHBondContact O-N 3.03Å; A104-L108 VanDerWaalsContact O-N 3.08Å; F105-L108 WeakPolarHBondContact O-CB 3.39Å; F105-L108 PolarHBondContact O-N 3.43Å; L108-K110 VanDerWaalsContact C-N 3.31Å; L108-K110 PolarHBondContact O-N 2.89Å; L108-V111 WeakPolarHBondContact O-CB 3.42Å; L108-V111 PolarHBondContact O-N 3.18Å; L108-W112 HydrophobicContact CD2-CH2 4.34Å; L108-W112 HydrophobicContact CD2-CZ2 3.85Å; L108-W112 HydrophobicContact CG-CZ2 3.97Å; L108-W112 PolarHBondContact O-N 3.34Å; L108-W112 VanDerWaalsContact O-N 3.11Å
109F95.7Very high92.7Very high0 Ų059.1 Ų59.10%030%0.299CS..Hα-helixtrans-64.6-35.9176.7-66.1-20.2000112.8M90 F105 G106 E107 V111 W112 Q113 V123 L126 R127 L130M90-F109 HydrophobicContact CE-CE2 3.68Å; M90-F109 HydrophobicContact CE-CZ 3.36Å; M90-F109 HydrophobicContact SD-CZ 3.73Å; F105-F109 HydrophobicContact CB-CE2 4.42Å; F105-F109 HydrophobicContact CD1-CZ 4.15Å; F105-F109 WeakPolarHBondContact O-CD2 3.37Å; F105-F109 VanDerWaalsContact O-CG 3.23Å; F105-F109 WeakPolarHBondContact O-CG 3.44Å; F105-F109 PolarHBondContact O-N 3.49Å; G106-F109 PolarHBondContact O-N 3.31Å; E107-F109 PolarHBondContact O-N 3.31Å; F109-V111 VanDerWaalsContact C-N 3.33Å; F109-V111 PolarHBondContact O-N 3.41Å; F109-W112 HydrophobicContact CD1-CD2 4.32Å; F109-W112 AromaticContact CD1-CE3 3.59Å; F109-W112 HydrophobicContact CD1-CE3 3.59Å; F109-W112 HydrophobicContact CD1-CH2 4.28Å; F109-W112 AromaticContact CD1-CZ3 3.58Å; F109-W112 HydrophobicContact CD1-CZ3 3.58Å; F109-W112 AromaticContact CE1-CE3 3.99Å; F109-W112 HydrophobicContact CE1-CE3 3.99Å; F109-W112 AromaticContact CE1-CH2 3.99Å; F109-W112 HydrophobicContact CE1-CH2 3.99Å; F109-W112 AromaticContact CE1-CZ3 3.46Å; F109-W112 HydrophobicContact CE1-CZ3 3.46Å; F109-W112 VanDerWaalsContact CE1-CZ3 3.46Å; F109-W112 PolarHBondContact O-N 2.93Å; F109-Q113 WeakPolarHBondContact O-CB 3.22Å; F109-Q113 PolarHBondContact O-N 3.27Å; F109-V123 HydrophobicContact CB-CG1 3.7Å; F109-V123 HydrophobicContact CG-CG1 4.42Å; F109-V123 WeakPolarHBondContact O-CG1 3.47Å; F109-L126 HydrophobicContact CE1-CD1 4.4Å; F109-L126 HydrophobicContact CE2-CB 4.24Å; F109-L126 HydrophobicContact CZ-CB 4.18Å; F109-R127 HydrophobicContact CB-CG 4.29Å; F109-R127 HydrophobicContact CD2-CG 3.64Å; F109-R127 HydrophobicContact CE2-CG 4.45Å; F109-R127 HydrophobicContact CG-CG 4.4Å; F109-R127 PolarHBondContact O-NH2 3.44Å; F109-L130 HydrophobicContact CE2-CD2 3.93Å
110K93.5Very high93.1Very high94 Ų9458.1 Ų58.141%0.40930%0.296SS..Hα-helixtrans-60.3-43.4173.1-175.6-179173.5-175.70111.5G106 E107 L108 W112 Q113 E114G106-K110 PolarHBondContact O-N 2.95Å; E107-K110 WeakPolarHBondContact O-CB 3.34Å; E107-K110 PolarHBondContact O-N 3.37Å; L108-K110 VanDerWaalsContact C-N 3.31Å; L108-K110 PolarHBondContact O-N 2.89Å; K110-W112 VanDerWaalsContact C-N 3.35Å; K110-W112 PolarHBondContact O-N 3.44Å; K110-Q113 PolarHBondContact O-N 2.93Å; K110-E114 WeakPolarHBondContact CE-OE1 3.29Å; K110-E114 HydrophobicContact CG-CG 4.43Å; K110-E114 WeakPolarHBondContact O-CB 3.47Å; K110-E114 WeakPolarHBondContact O-CG 3.44Å; K110-E114 PolarHBondContact O-N 3.4Å
111V92.9Very high93.4Very high55 Ų5558.8 Ų58.833%0.33330%0.301SS..Hα-helixtrans-59.9-45174.1174.80000111.1E107 L108 F109 Q113 E114 E115E107-V111 PolarHBondContact O-N 3.01Å; E107-V111 VanDerWaalsContact O-N 3.08Å; L108-V111 WeakPolarHBondContact O-CB 3.42Å; L108-V111 PolarHBondContact O-N 3.18Å; F109-V111 VanDerWaalsContact C-N 3.33Å; F109-V111 PolarHBondContact O-N 3.41Å; V111-Q113 VanDerWaalsContact C-N 3.27Å; V111-Q113 PolarHBondContact O-N 3.1Å; V111-E114 PolarHBondContact O-N 2.91Å; V111-E115 HydrophobicContact CG1-CG 4.12Å; V111-E115 WeakPolarHBondContact O-CB 3.43Å; V111-E115 WeakPolarHBondContact O-CG 3.21Å; V111-E115 PolarHBondContact O-N 3Å
112W95.2Very high93.6Very high0 Ų061.2 Ų61.20%031%0.31CS..Hα-helixtrans-62.5-34178.7-66.4-6.7000114.1F61 N65 F86 L108 F109 K110 E116 Y117 F118 V123 L126F61-W112 HydrophobicContact CD1-CH2 4.23Å; N65-W112 HydrophobicContact CB-CZ2 4.5Å; N65-W112 PolarHBondContact OD1-NE1 3.06Å; F86-W112 HydrophobicContact CD1-CH2 4.04Å; F86-W112 HydrophobicContact CD1-CZ3 4.44Å; F86-W112 HydrophobicContact CD2-CH2 4.08Å; F86-W112 AromaticContact CD2-CZ3 3.89Å; F86-W112 HydrophobicContact CD2-CZ3 3.89Å; F86-W112 AromaticContact CE1-CH2 3.59Å; F86-W112 HydrophobicContact CE1-CH2 3.59Å; F86-W112 HydrophobicContact CE1-CZ2 4.3Å; F86-W112 HydrophobicContact CE1-CZ3 4.33Å; F86-W112 HydrophobicContact CE2-CE3 4.47Å; F86-W112 AromaticContact CE2-CH2 3.6Å; F86-W112 HydrophobicContact CE2-CH2 3.6Å; F86-W112 HydrophobicContact CE2-CZ2 4.22Å; F86-W112 AromaticContact CE2-CZ3 3.73Å; F86-W112 HydrophobicContact CE2-CZ3 3.73Å; F86-W112 HydrophobicContact CG-CH2 4.29Å; F86-W112 HydrophobicContact CG-CZ3 4.24Å; F86-W112 AromaticContact CZ-CH2 3.33Å; F86-W112 HydrophobicContact CZ-CH2 3.33Å; F86-W112 AromaticContact CZ-CZ2 3.8Å; F86-W112 HydrophobicContact CZ-CZ2 3.8Å; F86-W112 AromaticContact CZ-CZ3 3.97Å; F86-W112 HydrophobicContact CZ-CZ3 3.97Å; L108-W112 HydrophobicContact CD2-CH2 4.34Å; L108-W112 HydrophobicContact CD2-CZ2 3.85Å; L108-W112 HydrophobicContact CG-CZ2 3.97Å; L108-W112 PolarHBondContact O-N 3.34Å; L108-W112 VanDerWaalsContact O-N 3.11Å; F109-W112 HydrophobicContact CD1-CD2 4.32Å; F109-W112 AromaticContact CD1-CE3 3.59Å; F109-W112 HydrophobicContact CD1-CE3 3.59Å; F109-W112 HydrophobicContact CD1-CH2 4.28Å; F109-W112 AromaticContact CD1-CZ3 3.58Å; F109-W112 HydrophobicContact CD1-CZ3 3.58Å; F109-W112 AromaticContact CE1-CE3 3.99Å; F109-W112 HydrophobicContact CE1-CE3 3.99Å; F109-W112 AromaticContact CE1-CH2 3.99Å; F109-W112 HydrophobicContact CE1-CH2 3.99Å; F109-W112 AromaticContact CE1-CZ3 3.46Å; F109-W112 HydrophobicContact CE1-CZ3 3.46Å; F109-W112 VanDerWaalsContact CE1-CZ3 3.46Å; F109-W112 PolarHBondContact O-N 2.93Å; K110-W112 VanDerWaalsContact C-N 3.35Å; K110-W112 PolarHBondContact O-N 3.44Å; W112-E116 PolarHBondContact O-N 3.22Å; W112-Y117 PolarHBondContact O-N 3.39Å; W112-F118 HydrophobicContact CB-CD2 4.06Å; W112-F118 HydrophobicContact CD2-CD2 4.13Å; W112-F118 AromaticContact CD2-CE2 3.99Å; W112-F118 HydrophobicContact CD2-CE2 3.99Å; W112-F118 AromaticContact CE3-CD2 3.93Å; W112-F118 HydrophobicContact CE3-CD2 3.93Å; W112-F118 AromaticContact CE3-CE2 3.92Å; W112-F118 HydrophobicContact CE3-CE2 3.92Å; W112-F118 HydrophobicContact CG-CD2 4.21Å; W112-F118 HydrophobicContact CG-CE2 4.29Å; W112-F118 HydrophobicContact CZ3-CE2 4.44Å; W112-V123 HydrophobicContact CB-CG2 4.45Å; W112-L126 HydrophobicContact CZ3-CD1 4.14Å
113Q92.2Very high93.9Very high60 Ų6060.6 Ų60.628%0.2831%0.307SS..Hα-helixtrans-73.4-41.3175.3-176-171.3-27.400111.9F109 K110 V111 E116 Y120 V123 R127F109-Q113 WeakPolarHBondContact O-CB 3.22Å; F109-Q113 PolarHBondContact O-N 3.27Å; K110-Q113 PolarHBondContact O-N 2.93Å; V111-Q113 VanDerWaalsContact C-N 3.27Å; V111-Q113 PolarHBondContact O-N 3.1Å; Q113-E116 PolarHBondContact O-N 3.44Å; Q113-Y120 HydrophobicContact CG-CD2 4.13Å; Q113-V123 HydrophobicContact CB-CG1 4.27Å; Q113-V123 HydrophobicContact CB-CG2 4.42Å; Q113-R127 VanDerWaalsContact OE1-CZ 3.31Å
114E91.9Very high94Very high109 Ų10958.8 Ų58.851%0.50929%0.293SS..Hα-helixtrans-68.3-37.5-179.9-75177-179.800112.4K110 V111 E116K110-E114 WeakPolarHBondContact CE-OE1 3.29Å; K110-E114 HydrophobicContact CG-CG 4.43Å; K110-E114 WeakPolarHBondContact O-CB 3.47Å; K110-E114 WeakPolarHBondContact O-CG 3.44Å; K110-E114 PolarHBondContact O-N 3.4Å; V111-E114 PolarHBondContact O-N 2.91Å; E114-E116 VanDerWaalsContact C-N 3.28Å
115E92.5Very high94.1Very high114 Ų11460.2 Ų60.253%0.53330%0.297SS..THydrogen-bonded Turntrans-85.61.1178-60.3-64150.500113V111 Y117V111-E115 HydrophobicContact CG1-CG 4.12Å; V111-E115 WeakPolarHBondContact O-CB 3.43Å; V111-E115 WeakPolarHBondContact O-CG 3.21Å; V111-E115 PolarHBondContact O-N 3Å; E115-Y117 HydrophobicContact CB-CD1 4.46Å; E115-Y117 HydrophobicContact CB-CD2 3.84Å; E115-Y117 HydrophobicContact CB-CE1 4.15Å; E115-Y117 HydrophobicContact CB-CE2 3.46Å; E115-Y117 VanDerWaalsContact CB-CE2 3.46Å; E115-Y117 HydrophobicContact CB-CG 4.3Å; E115-Y117 HydrophobicContact CG-CE2 3.92Å; E115-Y117 PolarHBondContact O-N 3.48Å; E115-Y117 VanDerWaalsContact O-N 3.11Å
116E92.7Very high94.1Very high171 Ų17160.2 Ų60.280%0.79930%0.297SS*.THydrogen-bonded Turntrans54.226.4-179.8-57.5-174.2165.900114.7W112 Q113 E114 F118W112-E116 PolarHBondContact O-N 3.22Å; Q113-E116 PolarHBondContact O-N 3.44Å; E114-E116 VanDerWaalsContact C-N 3.28Å; E116-F118 PolarHBondContact O-N 2.99Å
117Y92.9Very high94.1Very high45 Ų4561.3 Ų61.318%0.17630%0.298CS..SBendtrans-61.4-35.1173.5-61.9-45.7000111.5I68 A72 W112 E115I68-Y117 HydrophobicContact CG2-CD1 3.96Å; I68-Y117 HydrophobicContact CG2-CD2 3.74Å; I68-Y117 HydrophobicContact CG2-CE1 4.36Å; I68-Y117 HydrophobicContact CG2-CE2 4.18Å; I68-Y117 HydrophobicContact CG2-CG 3.65Å; A72-Y117 HydrophobicContact CB-CD1 4.12Å; A72-Y117 HydrophobicContact CB-CE1 3.76Å; W112-Y117 PolarHBondContact O-N 3.39Å; E115-Y117 HydrophobicContact CB-CD1 4.46Å; E115-Y117 HydrophobicContact CB-CD2 3.84Å; E115-Y117 HydrophobicContact CB-CE1 4.15Å; E115-Y117 HydrophobicContact CB-CE2 3.46Å; E115-Y117 VanDerWaalsContact CB-CE2 3.46Å; E115-Y117 HydrophobicContact CB-CG 4.3Å; E115-Y117 HydrophobicContact CG-CE2 3.92Å; E115-Y117 PolarHBondContact O-N 3.48Å; E115-Y117 VanDerWaalsContact O-N 3.11Å
118F95.4Very high94Very high21 Ų2162.6 Ų62.69%0.09230%0.298CS..SBendtrans-132.1149.4175.8-52.6-69.5000110.4I68 V79 F86 W112 E116 Y122 V123I68-F118 HydrophobicContact CD1-CE2 4.05Å; I68-F118 HydrophobicContact CD1-CZ 3.9Å; V79-F118 HydrophobicContact CG1-CE1 3.88Å; V79-F118 HydrophobicContact CG1-CZ 4.08Å; V79-F118 WeakPolarHBondContact O-CE1 3.48Å; F86-F118 HydrophobicContact CD2-CE2 4.31Å; F86-F118 HydrophobicContact CD2-CZ 4.17Å; F86-F118 AromaticContact CE2-CE2 3.74Å; F86-F118 HydrophobicContact CE2-CE2 3.74Å; F86-F118 AromaticContact CE2-CZ 3.61Å; F86-F118 HydrophobicContact CE2-CZ 3.61Å; W112-F118 HydrophobicContact CB-CD2 4.06Å; W112-F118 HydrophobicContact CD2-CD2 4.13Å; W112-F118 AromaticContact CD2-CE2 3.99Å; W112-F118 HydrophobicContact CD2-CE2 3.99Å; W112-F118 AromaticContact CE3-CD2 3.93Å; W112-F118 HydrophobicContact CE3-CD2 3.93Å; W112-F118 AromaticContact CE3-CE2 3.92Å; W112-F118 HydrophobicContact CE3-CE2 3.92Å; W112-F118 HydrophobicContact CG-CD2 4.21Å; W112-F118 HydrophobicContact CG-CE2 4.29Å; W112-F118 HydrophobicContact CZ3-CE2 4.44Å; E116-F118 PolarHBondContact O-N 2.99Å; F118-Y122 HydrophobicContact CB-CD1 3.61Å; F118-Y122 HydrophobicContact CB-CE1 4.17Å; F118-Y122 HydrophobicContact CD1-CD1 4.23Å; F118-Y122 HydrophobicContact CD1-CE1 4.04Å; F118-Y122 HydrophobicContact CD2-CE1 4.48Å; F118-Y122 AromaticContact CG-CD1 3.93Å; F118-Y122 HydrophobicContact CG-CD1 3.93Å; F118-Y122 AromaticContact CG-CE1 3.96Å; F118-Y122 HydrophobicContact CG-CE1 3.96Å; F118-V123 HydrophobicContact CB-CG2 3.8Å
119G92Very high93.7Very high50 Ų5065 Ų6552%0.51531%0.309SS..  trans-62.8148.6177.300000112.3D121 Y122 V123G119-D121 VanDerWaalsContact C-N 3.29Å; G119-D121 PolarHBondContact O-N 3.22Å; G119-Y122 WeakPolarHBondContact O-CB 3.22Å; G119-Y122 PolarHBondContact O-N 3.29Å; G119-V123 PolarHBondContact O-N 3.25Å; G119-V123 VanDerWaalsContact O-N 3.13Å
120Y93.6Very high93.3Very high137 Ų13765 Ų6554%0.53731%0.309SS..Hα-helixtrans-46.8-49.9179178.4-89.1000113.1Q113 Y122 V123 E124Q113-Y120 HydrophobicContact CG-CD2 4.13Å; Y120-Y122 VanDerWaalsContact C-N 3.26Å; Y120-Y122 PolarHBondContact O-N 3.48Å; Y120-V123 PolarHBondContact O-N 3.07Å; Y120-E124 HydrophobicContact CE1-CB 4.4Å; Y120-E124 WeakPolarHBondContact O-CB 3.32Å; Y120-E124 PolarHBondContact O-N 2.78Å
121D94.1Very high93Very high125 Ų12566.4 Ų66.467%0.66831%0.313SS*.Hα-helixtrans-62.5-34.7-176.1-64.8-36.2000112.6G119 N125G119-D121 VanDerWaalsContact C-N 3.29Å; G119-D121 PolarHBondContact O-N 3.22Å; D121-N125 WeakPolarHBondContact O-CB 3.41Å; D121-N125 PolarHBondContact O-N 3Å
122Y96.7Very high92.8Very high56 Ų5667.4 Ų67.422%0.2232%0.322CS..Hα-helixtrans-71.5-47.9178.6175.3-92.7000111.2G83 F86 F118 G119 Y120 E124 N125 L126G83-Y122 PolarHBondContact O-OH 3.41Å; F86-Y122 WeakPolarHBondContact CB-OH 3.48Å; F118-Y122 HydrophobicContact CB-CD1 3.61Å; F118-Y122 HydrophobicContact CB-CE1 4.17Å; F118-Y122 HydrophobicContact CD1-CD1 4.23Å; F118-Y122 HydrophobicContact CD1-CE1 4.04Å; F118-Y122 HydrophobicContact CD2-CE1 4.48Å; F118-Y122 AromaticContact CG-CD1 3.93Å; F118-Y122 HydrophobicContact CG-CD1 3.93Å; F118-Y122 AromaticContact CG-CE1 3.96Å; F118-Y122 HydrophobicContact CG-CE1 3.96Å; G119-Y122 WeakPolarHBondContact O-CB 3.22Å; G119-Y122 PolarHBondContact O-N 3.29Å; Y120-Y122 VanDerWaalsContact C-N 3.26Å; Y120-Y122 PolarHBondContact O-N 3.48Å; Y122-E124 VanDerWaalsContact C-N 3.26Å; Y122-E124 PolarHBondContact O-N 3.26Å; Y122-N125 WeakPolarHBondContact O-CA 3.43Å; Y122-N125 WeakPolarHBondContact O-CB 3.32Å; Y122-N125 PolarHBondContact O-N 3.44Å; Y122-N125 VanDerWaalsContact O-N 3.08Å; Y122-L126 HydrophobicContact CD1-CD1 4.12Å; Y122-L126 HydrophobicContact CD1-CG 4.49Å; Y122-L126 HydrophobicContact CE1-CD1 3.49Å; Y122-L126 VanDerWaalsContact CE1-CD1 3.49Å; Y122-L126 HydrophobicContact CE1-CG 4.07Å; Y122-L126 PolarHBondContact O-N 2.97Å
123V96.6Very high91.9Very high0 Ų070.1 Ų70.10%033%0.332CS..Hα-helixtrans-61.1-39.5176.4-179.80000110.9F109 W112 Q113 F118 G119 Y120 N125 L126 R127F109-V123 HydrophobicContact CB-CG1 3.7Å; F109-V123 HydrophobicContact CG-CG1 4.42Å; F109-V123 WeakPolarHBondContact O-CG1 3.47Å; W112-V123 HydrophobicContact CB-CG2 4.45Å; Q113-V123 HydrophobicContact CB-CG1 4.27Å; Q113-V123 HydrophobicContact CB-CG2 4.42Å; F118-V123 HydrophobicContact CB-CG2 3.8Å; G119-V123 PolarHBondContact O-N 3.25Å; G119-V123 VanDerWaalsContact O-N 3.13Å; Y120-V123 PolarHBondContact O-N 3.07Å; V123-N125 VanDerWaalsContact C-N 3.3Å; V123-N125 PolarHBondContact O-N 3.37Å; V123-L126 WeakPolarHBondContact O-CB 3.5Å; V123-L126 PolarHBondContact O-N 3.08Å; V123-R127 PolarHBondContact O-N 2.98Å
124E94.5Very high90.3Very high50 Ų5072.1 Ų72.123%0.23435%0.351CS..Hα-helixtrans-68.6-30.9176.8-165.657.4-156.800112.3Y120 Y122 R127 R128Y120-E124 HydrophobicContact CE1-CB 4.4Å; Y120-E124 WeakPolarHBondContact O-CB 3.32Å; Y120-E124 PolarHBondContact O-N 2.78Å; Y122-E124 VanDerWaalsContact C-N 3.26Å; Y122-E124 PolarHBondContact O-N 3.26Å; E124-R127 PolarHBondContact O-N 2.85Å; E124-R127 IonicContact OE2-CZ 3.17Å; E124-R127 IonicContact OE2-NH1 3.83Å; E124-R127 PolarHBondContact OE2-NH1 3.46Å; E124-R128 PolarHBondContact O-N 3.33Å
125N95Very high88.4Confident53 Ų5370.9 Ų70.928%0.28335%0.354SS..Hα-helixtrans-64.7-44170.9-161.247.7000111.5E87 D121 Y122 V123 R127 R128 H129E87-N125 PolarHBondContact OE1-ND2 2.82Å; D121-N125 WeakPolarHBondContact O-CB 3.41Å; D121-N125 PolarHBondContact O-N 3Å; Y122-N125 WeakPolarHBondContact O-CA 3.43Å; Y122-N125 WeakPolarHBondContact O-CB 3.32Å; Y122-N125 PolarHBondContact O-N 3.44Å; Y122-N125 VanDerWaalsContact O-N 3.08Å; V123-N125 VanDerWaalsContact C-N 3.3Å; V123-N125 PolarHBondContact O-N 3.37Å; N125-R127 PolarHBondContact O-N 2.88Å; N125-R128 PolarHBondContact O-N 2.89Å; N125-R128 PolarHBondContact OD1-NH1 3.03Å; N125-H129 PolarHBondContact O-N 3.06Å
126L95.3Very high86.2Confident0 Ų070.3 Ų70.30%036%0.358CS..Hα-helixtrans-61.9-41.2175.5-66.2179.1000112.1F86 E87 M90 F109 W112 Y122 V123 H129 L130F86-L126 HydrophobicContact CB-CD1 4.07Å; F86-L126 HydrophobicContact CB-CD2 4.03Å; E87-L126 HydrophobicContact CB-CD2 4.5Å; E87-L126 HydrophobicContact CG-CD2 3.72Å; M90-L126 HydrophobicContact CG-CD2 4.02Å; F109-L126 HydrophobicContact CE1-CD1 4.4Å; F109-L126 HydrophobicContact CE2-CB 4.24Å; F109-L126 HydrophobicContact CZ-CB 4.18Å; W112-L126 HydrophobicContact CZ3-CD1 4.14Å; Y122-L126 HydrophobicContact CD1-CD1 4.12Å; Y122-L126 HydrophobicContact CD1-CG 4.49Å; Y122-L126 HydrophobicContact CE1-CD1 3.49Å; Y122-L126 VanDerWaalsContact CE1-CD1 3.49Å; Y122-L126 HydrophobicContact CE1-CG 4.07Å; Y122-L126 PolarHBondContact O-N 2.97Å; V123-L126 WeakPolarHBondContact O-CB 3.5Å; V123-L126 PolarHBondContact O-N 3.08Å; L126-H129 WeakPolarHBondContact O-CB 3.38Å; L126-H129 PolarHBondContact O-N 3.1Å; L126-L130 WeakPolarHBondContact O-CB 3.3Å; L126-L130 PolarHBondContact O-N 3.26Å
127R93.6Very high83.8Confident33 Ų3366.8 Ų66.813%0.12535%0.353CS..Hα-helixtrans-60.4-49.6173.2-77.3-175.6-166.2121.82.9111.6F109 Q113 V123 E124 N125 H129 L130 Y131F109-R127 HydrophobicContact CB-CG 4.29Å; F109-R127 HydrophobicContact CD2-CG 3.64Å; F109-R127 HydrophobicContact CE2-CG 4.45Å; F109-R127 HydrophobicContact CG-CG 4.4Å; F109-R127 PolarHBondContact O-NH2 3.44Å; Q113-R127 VanDerWaalsContact OE1-CZ 3.31Å; V123-R127 PolarHBondContact O-N 2.98Å; E124-R127 PolarHBondContact O-N 2.85Å; E124-R127 IonicContact OE2-CZ 3.17Å; E124-R127 IonicContact OE2-NH1 3.83Å; E124-R127 PolarHBondContact OE2-NH1 3.46Å; N125-R127 PolarHBondContact O-N 2.88Å; R127-H129 VanDerWaalsContact C-N 3.28Å; R127-H129 PolarHBondContact O-N 3Å; R127-L130 WeakPolarHBondContact O-CB 3.49Å; R127-L130 PolarHBondContact O-N 3.01Å; R127-Y131 HydrophobicContact CB-CD2 4.3Å; R127-Y131 HydrophobicContact CB-CE2 4.15Å; R127-Y131 HydrophobicContact CG-CE2 4.46Å; R127-Y131 WeakPolarHBondContact O-CD2 3.37Å; R127-Y131 PolarHBondContact O-N 3.38Å
128R92.2Very high81.3Confident133 Ų13373.8 Ų73.850%0.50238%0.384SS..Hα-helixtrans-58.4-42177-80.5-176.3-105.9114.4-2.1111.5E124 N125 Y131 S132E124-R128 PolarHBondContact O-N 3.33Å; N125-R128 PolarHBondContact O-N 2.89Å; N125-R128 PolarHBondContact OD1-NH1 3.03Å; R128-Y131 PolarHBondContact O-N 2.95Å; R128-S132 VanDerWaalsContact O-CB 3.29Å; R128-S132 WeakPolarHBondContact O-CB 3.47Å; R128-S132 PolarHBondContact O-N 3.49Å
129H88.6Confident78.8Confident59 Ų5979.8 Ų79.827%0.27341%0.413SS..Hα-helixtrans-57.5-51.7174.1-117.380.8000111.4D91 N125 L126 R127 Y131 S132 Y133D91-H129 IonicContact OD1-CD2 2.78Å; D91-H129 PolarHBondContact OD1-CD2 2.95Å; D91-H129 IonicContact OD1-NE2 3.61Å; D91-H129 PolarHBondContact OD1-NE2 3.44Å; N125-H129 PolarHBondContact O-N 3.06Å; L126-H129 WeakPolarHBondContact O-CB 3.38Å; L126-H129 PolarHBondContact O-N 3.1Å; R127-H129 VanDerWaalsContact C-N 3.28Å; R127-H129 PolarHBondContact O-N 3Å; H129-Y131 VanDerWaalsContact C-N 3.34Å; H129-Y131 PolarHBondContact O-N 3.32Å; H129-S132 PolarHBondContact O-N 3.29Å; H129-S132 VanDerWaalsContact O-N 3.17Å; H129-S132 PolarHBondContact O-OG 2.95Å; H129-Y133 WeakPolarHBondContact O-CD2 3.27Å; H129-Y133 VanDerWaalsContact O-CE2 3.31Å; H129-Y133 WeakPolarHBondContact O-CE2 3.35Å
130L88.2Confident76Confident0 Ų085.4 Ų85.40%043%0.431CS..Hα-helixtrans-56.6-44.8179.3-178.259.5000113.1M90 L97 M102 F105 F109 L126 R127 S132M90-L130 HydrophobicContact CE-CB 3.55Å; M90-L130 HydrophobicContact CE-CD1 3.62Å; M90-L130 HydrophobicContact CE-CD2 4.01Å; M90-L130 HydrophobicContact CE-CG 3.91Å; L97-L130 HydrophobicContact CD1-CD1 3.51Å; M102-L130 HydrophobicContact CB-CD2 4.41Å; M102-L130 HydrophobicContact CG-CD1 4.17Å; M102-L130 HydrophobicContact CG-CG 4.29Å; F105-L130 HydrophobicContact CB-CD2 3.53Å; F105-L130 HydrophobicContact CG-CD2 4.33Å; F109-L130 HydrophobicContact CE2-CD2 3.93Å; L126-L130 WeakPolarHBondContact O-CB 3.3Å; L126-L130 PolarHBondContact O-N 3.26Å; R127-L130 WeakPolarHBondContact O-CB 3.49Å; R127-L130 PolarHBondContact O-N 3.01Å; L130-S132 VanDerWaalsContact C-N 3.34Å
131Y87.3Confident73.5Confident124 Ų12481.9 Ų81.949%0.48644%0.437SS..Hα-helixtrans-83.3-8.2-177.8-63.2-59.1000113.8M102 R127 R128 H129 Y133M102-Y131 HydrophobicContact CB-CE1 4.09Å; M102-Y131 HydrophobicContact SD-CD1 4.35Å; R127-Y131 HydrophobicContact CB-CD2 4.3Å; R127-Y131 HydrophobicContact CB-CE2 4.15Å; R127-Y131 HydrophobicContact CG-CE2 4.46Å; R127-Y131 WeakPolarHBondContact O-CD2 3.37Å; R127-Y131 PolarHBondContact O-N 3.38Å; R128-Y131 PolarHBondContact O-N 2.95Å; H129-Y131 VanDerWaalsContact C-N 3.34Å; H129-Y131 PolarHBondContact O-N 3.32Å; Y131-Y133 VanDerWaalsContact C-N 3.28Å
132S87.7Confident70.8Confident75 Ų7582.2 Ų82.252%0.52444%0.443SS..Hα-helixtrans-76.4-16.8177.972.30000113.1R128 H129 L130 P134R128-S132 VanDerWaalsContact O-CB 3.29Å; R128-S132 WeakPolarHBondContact O-CB 3.47Å; R128-S132 PolarHBondContact O-N 3.49Å; H129-S132 PolarHBondContact O-N 3.29Å; H129-S132 VanDerWaalsContact O-N 3.17Å; H129-S132 PolarHBondContact O-OG 2.95Å; L130-S132 VanDerWaalsContact C-N 3.34Å; S132-P134 WeakPolarHBondContact O-CD 3.39Å
133Y76.6Confident67.7Low57 Ų5784.6 Ų84.622%0.22447%0.467CS..SBendtrans-77111.7176.2-68-79.9000110.4D91 P95 H129 Y131 S135D91-Y133 WeakPolarHBondContact CA-OH 3.46Å; D91-Y133 PolarHBondContact OD1-OH 2.74Å; P95-Y133 HydrophobicContact CG-CD1 3.85Å; P95-Y133 HydrophobicContact CG-CE1 3.81Å; H129-Y133 WeakPolarHBondContact O-CD2 3.27Å; H129-Y133 VanDerWaalsContact O-CE2 3.31Å; H129-Y133 WeakPolarHBondContact O-CE2 3.35Å; Y131-Y133 VanDerWaalsContact C-N 3.28Å; Y133-S135 PolarHBondContact O-N 3.27Å
134P58.7Low64.6Low103 Ų10392.2 Ų92.267%0.66951%0.508SS*.  trans-64.1128.1169.527.3-31.8000107.9S132 T136S132-P134 WeakPolarHBondContact O-CD 3.39Å; P134-T136 PolarHBondContact O-N 2.87Å
135S51.8Low61.5Low83 Ų8392.7 Ų92.758%0.5853%0.526SS*.  trans-58.398.6175.7-620000109.6Y133 S137Y133-S135 PolarHBondContact O-N 3.27Å; S135-S137 VanDerWaalsContact C-N 3.3Å; S135-S137 PolarHBondContact O-N 3.27Å
136T46.8Very low58.7Low101 Ų10197.9 Ų97.962%0.6255%0.553SS**  trans-77.979.4179.551.60000109.8P134 K138P134-T136 PolarHBondContact O-N 2.87Å; T136-K138 PolarHBondContact O-N 3.46Å; T136-K138 VanDerWaalsContact O-N 3.11Å
137S42.1Very low55.7Low98 Ų98102.6 Ų102.669%0.68559%0.586SS**  trans-78.280.215963.50000108.4S135 E139S135-S137 VanDerWaalsContact C-N 3.3Å; S135-S137 PolarHBondContact O-N 3.27Å; S137-E139 PolarHBondContact O-N 3.02Å
138K40.7Very low52.6Low192 Ų192110.7 Ų110.784%0.83563%0.625SS**  trans-78.9101.5164.4-90.4-174.4173.5-178.50107.9T136T136-K138 PolarHBondContact O-N 3.46Å; T136-K138 VanDerWaalsContact O-N 3.11Å
139E41.9Very low49.6Very low146 Ų146108.1 Ų108.168%0.68264%0.64SS**  trans-70.3128.3161.7-85.7174.8140.600108.8S137 R170S137-E139 PolarHBondContact O-N 3.02Å; E139-R170 IonicContact OE2-CZ 3.78Å; E139-R170 IonicContact OE2-NH1 2.85Å; E139-R170 IonicContact OE2-NH2 3.86Å; E139-R170 PolarHBondContact OE2-NH2 3.17Å
140N33.9Very low46.9Very low168 Ų168113.6 Ų113.690%0.89867%0.666SS**  trans-69.7121.4170.1-72-31.3000110.3
141G41.3Very low44.1Very low64 Ų64119.8 Ų119.866%0.6670%0.697SS**  trans-163.493.7161.200000106.3
142V37.5Very low41.3Very low132 Ų132121.8 Ų121.880%0.871%0.711SS**  6111389.4-178.70000112.8
143S31.7Very low38.5Very low105 Ų105125.5 Ų125.573%0.73473%0.725SS**  trans64.4139161.965.10000116.8
144D32Very low36.1Very low160 Ų160131 Ų13186%0.85675%0.753SS**  cis-164153.119.1-145.3-12.2000110.8
145G29.1Very low34.8Very low60 Ų60135.6 Ų135.662%0.61976%0.762SS**  trans38.8120.5154.700000123.4
146I35Very low33.5Very low163 Ų163135.1 Ų135.184%0.83677%0.77SS**  161.3123.299-80.5166.4000111.8
147S33.8Very low32.7Very low99 Ų99136.4 Ų136.469%0.69278%0.778SS**  trans49.1108.9153.470.70000122.6
148E28.5Very low32Very low202 Ų202137.7 Ų137.794%0.94479%0.788SS**  13.6125.2120.8-65.8177.3161.900119.1
149G29Very low31.4Very low80 Ų80136 Ų13683%0.82578%0.782SS**  trans-173.795.8170.400000111.7
150E31.1Very low30.5Very low174 Ų174134.6 Ų134.681%0.81379%0.789SS**  trans-16.9137.4169.4-72.3174.1139.600122.6
151I29.6Very low30.2Very low129 Ų129136.4 Ų136.466%0.66279%0.785SS**  70.5125.4122.4-58.5172.3000121.3
152E27.6Very low29.5Very low167 Ų167140.9 Ų140.978%0.7879%0.788SS**  trans31.9119.9150-66.4175.5133.700120.9
153N29.9Very low29.1Very low152 Ų152140.6 Ų140.681%0.81379%0.789SS**  -172.6149.1100.8-107.3-52.9000114.6
154Q26.9Very low29Very low172 Ų172144 Ų14480%0.80479%0.794SS**  trans-61.9140.2171.7-59.5168.5-2.900112.5
155K30Very low28.9Very low200 Ų200142.2 Ų142.287%0.8779%0.794SS**  171.4138.4119.1-100.6172.4177.31720111.1
156G24.4Very low29Very low73 Ų73143.4 Ų143.475%0.75379%0.792SS**  trans-62.6151.5-176.400000114.2
157T30.9Very low29Very low128 Ų128142.2 Ų142.279%0.78579%0.785SS**  trans-138.2115.7148.5-56.80000106.4Q159T157-Q159 VanDerWaalsContact C-N 3.33Å; T157-Q159 PolarHBondContact O-N 3.4Å
158S26.9Very low29Very low126 Ų126143.1 Ų143.188%0.88179%0.787SS**  trans-59.392.2171.4-56.40000109.3S160S158-S160 PolarHBondContact O-N 3.44Å
159Q27.3Very low29.7Very low155 Ų155134.8 Ų134.872%0.72475%0.747SS**  trans-89103161.8-84.4-174.5-12.500108.3T157 Y161T157-Q159 VanDerWaalsContact C-N 3.33Å; T157-Q159 PolarHBondContact O-N 3.4Å; Q159-Y161 PolarHBondContact O-N 2.88Å
160S23.3Very low30.6Very low117 Ų117140.5 Ų140.582%0.81874%0.744SS**  trans-43.8103.5157.6171.10000109.6S158S158-S160 PolarHBondContact O-N 3.44Å
161Y27.6Very low31.8Very low207 Ų207138.6 Ų138.681%0.81274%0.735SS**  trans-86.2108.7173.1-108.5-93.9000109.1Q159Q159-Y161 PolarHBondContact O-N 2.88Å
162E26.3Very low33.5Very low157 Ų157140 Ų14073%0.73474%0.739SS**  trans-68.3147.2162.5-87.2-169.3145.500110.6E164E162-E164 PolarHBondContact O-N 3.2Å
163P30.4Very low35.8Very low127 Ų127134.4 Ų134.483%0.82573%0.726SS**SBendtrans-85.682.1-172.435.2-32.7000111.3
164E28.6Very low38.2Very low176 Ų176129.3 Ų129.382%0.82270%0.7SS**  trans-126.434.5168-72.7-160.5159.700113.5E162 C166E162-E164 PolarHBondContact O-N 3.2Å; E164-C166 PolarHBondContact O-N 2.88Å
165S29.8Very low41Very low122 Ų122122 Ų12285%0.85367%0.669SS**  trans-79.366165.372.70000110.6
166C31Very low43.7Very low86 Ų86119.6 Ų119.658%0.58166%0.659SS**  trans-71.5123.5169.6-155.70000108.5E164 T168E164-C166 PolarHBondContact O-N 2.88Å; C166-T168 PolarHBondContact O-N 3.04Å; C166-T168 VanDerWaalsContact O-N 3.14Å
167I36.4Very low46.8Very low137 Ų137119.4 Ų119.470%0.70364%0.638SS**  trans-62.9109.5-175-61.4165.4000109.5
168T33.2Very low49.7Very low119 Ų119113.3 Ų113.373%0.7360%0.601SS**  trans-79.4145.5-177.244.20000112.1C166 R170C166-T168 PolarHBondContact O-N 3.04Å; C166-T168 VanDerWaalsContact O-N 3.14Å; T168-R170 PolarHBondContact O-N 3.42Å
169Y43.4Very low52.7Low27 Ų27110 Ų11011%0.10657%0.573CS.*  trans-53.2132.3159.3-77.8-95.5000108.5H171 T174 A175 V178 Q208 K212Y169-H171 PolarHBondContact O-N 3.45Å; Y169-T174 WeakPolarHBondContact CB-OG1 3.42Å; Y169-T174 WeakPolarHBondContact CD1-OG1 3.38Å; Y169-A175 HydrophobicContact CD2-CB 3.73Å; Y169-A175 HydrophobicContact CE2-CB 4.45Å; Y169-A175 HydrophobicContact CG-CB 4Å; Y169-V178 HydrophobicContact CE1-CG2 4Å; Y169-Q208 HydrophobicContact CE1-CB 4.35Å; Y169-Q208 HydrophobicContact CE2-CB 4.38Å; Y169-Q208 PolarHBondContact OH-O 3.07Å; Y169-K212 HydrophobicContact CE2-CD 4.4Å; Y169-K212 HydrophobicContact CE2-CG 3.66Å
170R48.8Very low55.7Low200 Ų200109 Ų10976%0.75557%0.569SS**SBendtrans-58.2-21.2-175.9-139.3-172.7-125.7-179.90.7112.7E139 T168E139-R170 IonicContact OE2-CZ 3.78Å; E139-R170 IonicContact OE2-NH1 2.85Å; E139-R170 IonicContact OE2-NH2 3.86Å; E139-R170 PolarHBondContact OE2-NH2 3.17Å; T168-R170 PolarHBondContact O-N 3.42Å
171H56.3Low59Low134 Ų134104 Ų10462%0.6253%0.532SS*.SBendtrans-126.1123.4171.7-68.2-70000110.3Y169 G173 T174Y169-H171 PolarHBondContact O-N 3.45Å; H171-G173 PolarHBondContact O-N 3.35Å; H171-T174 HydrophobicContact CB-CG2 4.34Å; H171-T174 PolarHBondContact O-N 2.81Å; H171-T174 PolarHBondContact O-OG1 3.38Å
172E64.8Low62Low159 Ų15994.2 Ų94.274%0.74349%0.494SS*.Hα-helixtrans-51.6-30.2172.3-71.1-172.4165.200112.8T174 A175 K176E172-T174 VanDerWaalsContact C-N 3.34Å; E172-T174 PolarHBondContact O-N 2.79Å; E172-A175 PolarHBondContact O-N 3.05Å; E172-K176 PolarHBondContact O-N 3.18Å
173G74.8Confident64.9Low49 Ų4990.2 Ų90.251%0.50548%0.48SS..Hα-helixtrans-57.1-43.217400000113.1H171 K176 E177H171-G173 PolarHBondContact O-N 3.35Å; G173-K176 PolarHBondContact O-N 3.03Å; G173-E177 WeakPolarHBondContact O-CB 3.42Å; G173-E177 PolarHBondContact O-N 3.35Å
174T81.9Confident67.8Low44 Ų4486.9 Ų86.927%0.2746%0.455SS..Hα-helixtrans-70.3-33.3-179.954.80000112.8Y169 H171 E172 E177 V178Y169-T174 WeakPolarHBondContact CB-OG1 3.42Å; Y169-T174 WeakPolarHBondContact CD1-OG1 3.38Å; H171-T174 HydrophobicContact CB-CG2 4.34Å; H171-T174 PolarHBondContact O-N 2.81Å; H171-T174 PolarHBondContact O-OG1 3.38Å; E172-T174 VanDerWaalsContact C-N 3.34Å; E172-T174 PolarHBondContact O-N 2.79Å; T174-E177 PolarHBondContact O-N 3.24Å; T174-V178 WeakPolarHBondContact O-CB 3.43Å; T174-V178 VanDerWaalsContact O-CG2 3.25Å; T174-V178 WeakPolarHBondContact O-CG2 3.44Å; T174-V178 PolarHBondContact O-N 3.23Å
175A84.6Confident70.5Confident20 Ų2081.2 Ų81.217%0.16543%0.433CS..Hα-helixtrans-66.3-44.5175.600000111.7Y169 E172 V178 D179Y169-A175 HydrophobicContact CD2-CB 3.73Å; Y169-A175 HydrophobicContact CE2-CB 4.45Å; Y169-A175 HydrophobicContact CG-CB 4Å; E172-A175 PolarHBondContact O-N 3.05Å; A175-V178 PolarHBondContact O-N 3.21Å; A175-D179 WeakPolarHBondContact O-CB 3.42Å; A175-D179 VanDerWaalsContact O-CG 3.3Å; A175-D179 PolarHBondContact O-N 3.47Å
176K87.5Confident73.3Confident148 Ų14880.3 Ų80.364%0.64343%0.427SS*.Hα-helixtrans-65.2-40.1176-71.3-179.3-179.6173.50111.7E172 G173 D179 Q180E172-K176 PolarHBondContact O-N 3.18Å; G173-K176 PolarHBondContact O-N 3.03Å; K176-D179 PolarHBondContact O-N 3.4Å; K176-Q180 WeakPolarHBondContact O-CB 3.37Å; K176-Q180 PolarHBondContact O-N 3.28Å
177E90Very high76Confident69 Ų6977.9 Ų77.932%0.32241%0.407SS..Hα-helixtrans-61.6-43.7175.2-169.2-173.6168.400111.5G173 T174 Q180 F181 Y195 R198G173-E177 WeakPolarHBondContact O-CB 3.42Å; G173-E177 PolarHBondContact O-N 3.35Å; T174-E177 PolarHBondContact O-N 3.24Å; E177-Q180 PolarHBondContact O-N 2.89Å; E177-F181 VanDerWaalsContact O-CB 3.31Å; E177-F181 WeakPolarHBondContact O-CB 3.3Å; E177-F181 PolarHBondContact O-N 2.98Å; E177-Y195 HydrophobicContact CG-CE2 4.17Å; E177-Y195 WeakPolarHBondContact OE1-CE2 3.06Å; E177-R198 IonicContact OE1-CZ 3.25Å; E177-R198 IonicContact OE1-NH1 3.72Å; E177-R198 IonicContact OE1-NH2 2.68Å; E177-R198 PolarHBondContact OE1-NH2 3.13Å
178V90Very high78.6Confident0 Ų073.1 Ų73.10%039%0.387CS..Hα-helixtrans-65.8-44.3175.8170.10000111.1Y169 T174 A175 Q180 F181 L182 L199 F209 K212Y169-V178 HydrophobicContact CE1-CG2 4Å; T174-V178 WeakPolarHBondContact O-CB 3.43Å; T174-V178 VanDerWaalsContact O-CG2 3.25Å; T174-V178 WeakPolarHBondContact O-CG2 3.44Å; T174-V178 PolarHBondContact O-N 3.23Å; A175-V178 PolarHBondContact O-N 3.21Å; V178-Q180 VanDerWaalsContact C-N 3.31Å; V178-Q180 PolarHBondContact O-N 3.27Å; V178-F181 PolarHBondContact O-N 3.21Å; V178-L182 HydrophobicContact CG1-CD1 3.75Å; V178-L182 HydrophobicContact CG1-CG 4.11Å; V178-L182 WeakPolarHBondContact O-CB 3.31Å; V178-L182 WeakPolarHBondContact O-CG 3.44Å; V178-L182 PolarHBondContact O-N 2.99Å; V178-L199 HydrophobicContact CG2-CD1 3.85Å; V178-L199 HydrophobicContact CG2-CD2 4.47Å; V178-F209 HydrophobicContact CG1-CD2 4Å; V178-F209 HydrophobicContact CG1-CE2 4.18Å; V178-K212 HydrophobicContact CG1-CB 4.03Å; V178-K212 HydrophobicContact CG1-CG 4.35Å
179D90.3Very high81.2Confident58 Ų5870 Ų7031%0.3137%0.366SS..Hα-helixtrans-63.5-38.6178.5-70.4-20.4000111.1A175 K176 T183 K212A175-D179 WeakPolarHBondContact O-CB 3.42Å; A175-D179 VanDerWaalsContact O-CG 3.3Å; A175-D179 PolarHBondContact O-N 3.47Å; K176-D179 PolarHBondContact O-N 3.4Å; D179-T183 WeakPolarHBondContact O-CG2 3.33Å; D179-T183 PolarHBondContact O-N 3.17Å; D179-T183 PolarHBondContact O-OG1 2.58Å; D179-K212 IonicContact OD1-NZ 2.94Å; D179-K212 PolarHBondContact OD1-NZ 3.5Å; D179-K212 IonicContact OD2-NZ 2.77Å; D179-K212 PolarHBondContact OD2-NZ 3.36Å
180Q90.9Very high83.4Confident134 Ų13474.5 Ų74.563%0.62639%0.387SS*.Hα-helixtrans-66.8-41.4173.5-171.8176.71000111.9K176 E177 V178 T183 N184K176-Q180 WeakPolarHBondContact O-CB 3.37Å; K176-Q180 PolarHBondContact O-N 3.28Å; E177-Q180 PolarHBondContact O-N 2.89Å; V178-Q180 VanDerWaalsContact C-N 3.31Å; V178-Q180 PolarHBondContact O-N 3.27Å; Q180-T183 PolarHBondContact O-N 2.92Å; Q180-T183 PolarHBondContact O-OG1 3.36Å; Q180-N184 VanDerWaalsContact O-CB 3.26Å; Q180-N184 WeakPolarHBondContact O-CB 3.41Å; Q180-N184 PolarHBondContact O-N 2.98Å
181F91.7Very high85.4Confident12 Ų1270.8 Ų70.85%0.05338%0.378CS..Hα-helixtrans-61.5-48.4175.4174.7-97.5000111.8E177 V178 T183 N184 L187 V192 Y195 L196 F209 H229 I233E177-F181 VanDerWaalsContact O-CB 3.31Å; E177-F181 WeakPolarHBondContact O-CB 3.3Å; E177-F181 PolarHBondContact O-N 2.98Å; V178-F181 PolarHBondContact O-N 3.21Å; F181-T183 PolarHBondContact O-N 2.91Å; F181-N184 PolarHBondContact O-N 3.45Å; F181-L187 HydrophobicContact CD2-CD1 3.45Å; F181-L187 VanDerWaalsContact CD2-CD1 3.45Å; F181-L187 HydrophobicContact CE2-CD1 3.63Å; F181-L187 HydrophobicContact CG-CD1 4.32Å; F181-V192 HydrophobicContact CE2-CG2 4.39Å; F181-V192 HydrophobicContact CZ-CB 4.23Å; F181-V192 HydrophobicContact CZ-CG1 4.02Å; F181-V192 HydrophobicContact CZ-CG2 4.2Å; F181-Y195 HydrophobicContact CB-CE1 4.02Å; F181-Y195 HydrophobicContact CB-CE2 4.42Å; F181-Y195 AromaticContact CD1-CD1 3.76Å; F181-Y195 HydrophobicContact CD1-CD1 3.76Å; F181-Y195 AromaticContact CD1-CE1 3.7Å; F181-Y195 HydrophobicContact CD1-CE1 3.7Å; F181-Y195 AromaticContact CD2-CD1 3.5Å; F181-Y195 HydrophobicContact CD2-CD1 3.5Å; F181-Y195 AromaticContact CD2-CD2 3.85Å; F181-Y195 HydrophobicContact CD2-CD2 3.85Å; F181-Y195 AromaticContact CD2-CE1 3.84Å; F181-Y195 HydrophobicContact CD2-CE1 3.84Å; F181-Y195 HydrophobicContact CD2-CE2 4.16Å; F181-Y195 AromaticContact CD2-CG 3.51Å; F181-Y195 HydrophobicContact CD2-CG 3.51Å; F181-Y195 AromaticContact CE1-CD1 3.67Å; F181-Y195 HydrophobicContact CE1-CD1 3.67Å; F181-Y195 HydrophobicContact CE1-CE1 4.06Å; F181-Y195 HydrophobicContact CE1-CG 4.48Å; F181-Y195 AromaticContact CE2-CD1 3.42Å; F181-Y195 HydrophobicContact CE2-CD1 3.42Å; F181-Y195 VanDerWaalsContact CE2-CD1 3.42Å; F181-Y195 HydrophobicContact CE2-CD2 4.13Å; F181-Y195 HydrophobicContact CE2-CE1 4.2Å; F181-Y195 AromaticContact CE2-CG 3.37Å; F181-Y195 HydrophobicContact CE2-CG 3.37Å; F181-Y195 AromaticContact CG-CD1 3.67Å; F181-Y195 HydrophobicContact CG-CD1 3.67Å; F181-Y195 HydrophobicContact CG-CD2 4.46Å; F181-Y195 AromaticContact CG-CE1 3.56Å; F181-Y195 HydrophobicContact CG-CE1 3.56Å; F181-Y195 HydrophobicContact CG-CE2 4.38Å; F181-Y195 HydrophobicContact CG-CG 4.13Å; F181-Y195 AromaticContact CG-CZ 3.95Å; F181-Y195 AromaticContact CZ-CD1 3.49Å; F181-Y195 HydrophobicContact CZ-CD1 3.49Å; F181-Y195 VanDerWaalsContact CZ-CD1 3.49Å; F181-Y195 HydrophobicContact CZ-CE1 4.29Å; F181-Y195 AromaticContact CZ-CG 3.89Å; F181-Y195 HydrophobicContact CZ-CG 3.89Å; F181-L196 HydrophobicContact CE1-CD2 4.35Å; F181-F209 AromaticContact CD1-CE2 3.99Å; F181-F209 HydrophobicContact CD1-CE2 3.99Å; F181-F209 HydrophobicContact CD1-CZ 4.22Å; F181-F209 HydrophobicContact CE1-CE2 4.02Å; F181-F209 AromaticContact CE1-CZ 3.88Å; F181-F209 HydrophobicContact CE1-CZ 3.88Å; F181-H229 PolarHBondContact O-NE2 3.38Å; F181-I233 HydrophobicContact CE1-CD1 4.02Å; F181-I233 HydrophobicContact CE1-CG1 4.23Å
182L90.4Very high87Confident0 Ų064.4 Ų64.40%035%0.349CS..Hα-helixtrans-64.6-22.2-179.1-69.9175.1000113.4V178 F209 K212 W213 S216 L230 I233V178-L182 HydrophobicContact CG1-CD1 3.75Å; V178-L182 HydrophobicContact CG1-CG 4.11Å; V178-L182 WeakPolarHBondContact O-CB 3.31Å; V178-L182 WeakPolarHBondContact O-CG 3.44Å; V178-L182 PolarHBondContact O-N 2.99Å; L182-F209 HydrophobicContact CD2-CE1 4.48Å; L182-F209 HydrophobicContact CD2-CE2 3.92Å; L182-F209 HydrophobicContact CD2-CZ 3.66Å; L182-F209 HydrophobicContact CG-CE2 4.47Å; L182-K212 HydrophobicContact CD1-CB 3.93Å; L182-W213 HydrophobicContact CD2-CB 4.13Å; L182-W213 HydrophobicContact CD2-CG 4.43Å; L182-S216 WeakPolarHBondContact CD1-OG 3.21Å; L182-L230 HydrophobicContact CB-CD2 4.14Å; L182-L230 HydrophobicContact CD2-CD2 3.81Å; L182-I233 HydrophobicContact CD2-CD1 3.95Å
183T88.7Confident88.2Confident73 Ų7361.1 Ų61.145%0.44833%0.33SS..Hα-helixtrans-103.3-10.3-179.253.30000113.6D179 Q180 F181 V185D179-T183 WeakPolarHBondContact O-CG2 3.33Å; D179-T183 PolarHBondContact O-N 3.17Å; D179-T183 PolarHBondContact O-OG1 2.58Å; Q180-T183 PolarHBondContact O-N 2.92Å; Q180-T183 PolarHBondContact O-OG1 3.36Å; F181-T183 PolarHBondContact O-N 2.91Å; T183-V185 PolarHBondContact O-N 3.37Å; T183-V185 VanDerWaalsContact O-N 3.11Å
184N90.2Very high88.9Confident57 Ų5761.5 Ų61.531%0.30533%0.328SS..  trans-84.686.2-179-171.50.7000112.3Q180 F181 S186 L187 H229Q180-N184 VanDerWaalsContact O-CB 3.26Å; Q180-N184 WeakPolarHBondContact O-CB 3.41Å; Q180-N184 PolarHBondContact O-N 2.98Å; F181-N184 PolarHBondContact O-N 3.45Å; N184-S186 PolarHBondContact O-N 3.41Å; N184-S186 WeakPolarHBondContact OD1-CB 3.42Å; N184-S186 PolarHBondContact OD1-N 3.04Å; N184-S186 VanDerWaalsContact OD1-N 3.16Å; N184-S186 PolarHBondContact OD1-OG 3.19Å; N184-L187 HydrophobicContact CB-CD1 4.01Å; N184-L187 HydrophobicContact CB-CG 4.05Å; N184-L187 WeakPolarHBondContact O-CG 3.4Å; N184-L187 PolarHBondContact O-N 2.99Å; N184-H229 PolarHBondContact O-CE1 3.33Å; N184-H229 PolarHBondContact O-NE2 2.99Å
185V86.2Confident89.3Confident58 Ų5860.6 Ų60.635%0.35232%0.32SS..THydrogen-bonded Turntrans-62.1-16.3179.5-175.10000113.4T183 L187 A225 I226 H229T183-V185 PolarHBondContact O-N 3.37Å; T183-V185 VanDerWaalsContact O-N 3.11Å; V185-L187 VanDerWaalsContact C-N 3.29Å; V185-L187 PolarHBondContact O-N 3.48Å; V185-A225 HydrophobicContact CG1-CB 4.32Å; V185-I226 HydrophobicContact CG2-CG1 3.98Å; V185-H229 HydrophobicContact CG1-CB 4.32Å; V185-H229 HydrophobicContact CG2-CB 4.14Å
186S89.1Confident89.5Confident103 Ų10359.6 Ų59.672%0.7231%0.312SS*.THydrogen-bonded Turntrans-79.2-5.2-17872.10000114.8N184N184-S186 PolarHBondContact O-N 3.41Å; N184-S186 WeakPolarHBondContact OD1-CB 3.42Å; N184-S186 PolarHBondContact OD1-N 3.04Å; N184-S186 VanDerWaalsContact OD1-N 3.16Å; N184-S186 PolarHBondContact OD1-OG 3.19Å
187L86Confident89.6Confident34 Ų3456.8 Ų56.818%0.17830%0.301CS..  trans-70133.9-178.9-62.9172.5000111.7F181 N184 V185 H191 V192F181-L187 HydrophobicContact CD2-CD1 3.45Å; F181-L187 VanDerWaalsContact CD2-CD1 3.45Å; F181-L187 HydrophobicContact CE2-CD1 3.63Å; F181-L187 HydrophobicContact CG-CD1 4.32Å; N184-L187 HydrophobicContact CB-CD1 4.01Å; N184-L187 HydrophobicContact CB-CG 4.05Å; N184-L187 WeakPolarHBondContact O-CG 3.4Å; N184-L187 PolarHBondContact O-N 2.99Å; V185-L187 VanDerWaalsContact C-N 3.29Å; V185-L187 PolarHBondContact O-N 3.48Å; L187-H191 HydrophobicContact CD2-CB 4.37Å; L187-V192 HydrophobicContact CB-CG2 4Å
188S91.2Very high89.5Confident38 Ų3860.5 Ų60.527%0.26631%0.312SS..  trans-72161.2170.588.10000111.1E190 H191 V192S188-E190 VanDerWaalsContact CB-OE2 3.27Å; S188-E190 WeakPolarHBondContact CB-OE2 3.46Å; S188-E190 PolarHBondContact O-N 3.43Å; S188-E190 PolarHBondContact OG-N 2.93Å; S188-E190 PolarHBondContact OG-OE2 3.03Å; S188-H191 PolarHBondContact O-N 3.04Å; S188-H191 VanDerWaalsContact O-N 3.13Å; S188-H191 PolarHBondContact OG-N 3.46Å; S188-H191 PolarHBondContact OG-ND1 3.38Å; S188-V192 WeakPolarHBondContact O-CG2 3.38Å; S188-V192 PolarHBondContact O-N 2.96Å
189D89.1Confident89.4Confident54 Ų5462 Ų6229%0.28932%0.32SS..Hα-helixtrans-63.2-31.7179.9-71.1-30.6000111.9V192 R193 R232D189-V192 PolarHBondContact O-N 3.24Å; D189-R193 VanDerWaalsContact O-CB 3.29Å; D189-R193 WeakPolarHBondContact O-CB 3.42Å; D189-R193 PolarHBondContact O-N 3.34Å; D189-R232 VanDerWaalsContact CG-NH2 3.27Å; D189-R232 IonicContact OD1-CZ 2.85Å; D189-R232 VanDerWaalsContact OD1-CZ 3.25Å; D189-R232 IonicContact OD1-NE 3.76Å; D189-R232 PolarHBondContact OD1-NE 2.99Å; D189-R232 IonicContact OD1-NH2 3.44Å; D189-R232 PolarHBondContact OD1-NH2 3.47Å; D189-R232 IonicContact OD2-NH2 3.6Å
190E89.8Confident89.2Confident121 Ų12159.6 Ų59.657%0.56531%0.307SS*.Hα-helixtrans-64.7-41.2174.5-59.371.7-153.600111.5S188 R193 A194S188-E190 VanDerWaalsContact CB-OE2 3.27Å; S188-E190 WeakPolarHBondContact CB-OE2 3.46Å; S188-E190 PolarHBondContact O-N 3.43Å; S188-E190 PolarHBondContact OG-N 2.93Å; S188-E190 PolarHBondContact OG-OE2 3.03Å; E190-R193 PolarHBondContact O-N 2.97Å; E190-A194 VanDerWaalsContact O-CB 3.31Å; E190-A194 WeakPolarHBondContact O-CB 3.33Å; E190-A194 PolarHBondContact O-N 3.17Å
191H90.3Very high88.9Confident121 Ų12158.7 Ų58.756%0.5631%0.31SS*.Hα-helixtrans-69.3-41.1176.8-70.392.8000111.6L187 S188 R193 Y195L187-H191 HydrophobicContact CD2-CB 4.37Å; S188-H191 PolarHBondContact O-N 3.04Å; S188-H191 VanDerWaalsContact O-N 3.13Å; S188-H191 PolarHBondContact OG-N 3.46Å; S188-H191 PolarHBondContact OG-ND1 3.38Å; H191-R193 VanDerWaalsContact C-N 3.33Å; H191-Y195 VanDerWaalsContact O-CB 3.26Å; H191-Y195 WeakPolarHBondContact O-CB 3.47Å; H191-Y195 PolarHBondContact O-N 3.03Å
192V89.7Confident88.4Confident0 Ų061.9 Ų61.90%033%0.328CS..Hα-helixtrans-58.7-48.9173.8170.40000109.7F181 L187 S188 D189 Y195 L196 I233 Q236F181-V192 HydrophobicContact CE2-CG2 4.39Å; F181-V192 HydrophobicContact CZ-CB 4.23Å; F181-V192 HydrophobicContact CZ-CG1 4.02Å; F181-V192 HydrophobicContact CZ-CG2 4.2Å; L187-V192 HydrophobicContact CB-CG2 4Å; S188-V192 WeakPolarHBondContact O-CG2 3.38Å; S188-V192 PolarHBondContact O-N 2.96Å; D189-V192 PolarHBondContact O-N 3.24Å; V192-Y195 PolarHBondContact O-N 3.21Å; V192-L196 HydrophobicContact CG1-CD1 3.95Å; V192-L196 HydrophobicContact CG1-CG 4.42Å; V192-L196 VanDerWaalsContact O-CG 3.25Å; V192-L196 WeakPolarHBondContact O-CG 3.37Å; V192-L196 PolarHBondContact O-N 3.43Å; V192-I233 HydrophobicContact CG1-CG1 3.9Å; V192-Q236 HydrophobicContact CB-CG 4.49Å; V192-Q236 HydrophobicContact CG1-CB 3.91Å; V192-Q236 HydrophobicContact CG1-CG 3.85Å
193R90.1Very high87.8Confident91 Ų9167.1 Ų67.134%0.34335%0.352SS..Hα-helixtrans-60.3-51.8178.8-172.2177-59.91364.8112.4D189 E190 H191 Y195 L196 E197 Q236 V240D189-R193 VanDerWaalsContact O-CB 3.29Å; D189-R193 WeakPolarHBondContact O-CB 3.42Å; D189-R193 PolarHBondContact O-N 3.34Å; E190-R193 PolarHBondContact O-N 2.97Å; H191-R193 VanDerWaalsContact C-N 3.33Å; R193-Y195 VanDerWaalsContact C-N 3.27Å; R193-Y195 PolarHBondContact O-N 3.04Å; R193-L196 PolarHBondContact O-N 3.47Å; R193-E197 WeakPolarHBondContact O-CG 3.4Å; R193-E197 PolarHBondContact O-N 3.44Å; R193-Q236 VanDerWaalsContact CZ-OE1 3.3Å; R193-V240 HydrophobicContact CG-CG2 3.54Å
194A89.8Confident87.5Confident57 Ų5769.7 Ų69.747%0.47136%0.357SS..Hα-helixtrans-60.2-38.1179.800000111.9E190 R198E190-A194 VanDerWaalsContact O-CB 3.31Å; E190-A194 WeakPolarHBondContact O-CB 3.33Å; E190-A194 PolarHBondContact O-N 3.17Å; A194-R198 WeakPolarHBondContact O-CB 3.19Å; A194-R198 PolarHBondContact O-N 2.69Å; A194-R198 VanDerWaalsContact O-N 3.08Å
195Y89.8Confident87.2Confident24 Ų2467.9 Ų67.99%0.09435%0.35CS..Hα-helixtrans-66.4-46.4175.5-173.2-88.5000111.9E177 F181 H191 V192 R193 R198 L199E177-Y195 HydrophobicContact CG-CE2 4.17Å; E177-Y195 WeakPolarHBondContact OE1-CE2 3.06Å; F181-Y195 HydrophobicContact CB-CE1 4.02Å; F181-Y195 HydrophobicContact CB-CE2 4.42Å; F181-Y195 AromaticContact CD1-CD1 3.76Å; F181-Y195 HydrophobicContact CD1-CD1 3.76Å; F181-Y195 AromaticContact CD1-CE1 3.7Å; F181-Y195 HydrophobicContact CD1-CE1 3.7Å; F181-Y195 AromaticContact CD2-CD1 3.5Å; F181-Y195 HydrophobicContact CD2-CD1 3.5Å; F181-Y195 AromaticContact CD2-CD2 3.85Å; F181-Y195 HydrophobicContact CD2-CD2 3.85Å; F181-Y195 AromaticContact CD2-CE1 3.84Å; F181-Y195 HydrophobicContact CD2-CE1 3.84Å; F181-Y195 HydrophobicContact CD2-CE2 4.16Å; F181-Y195 AromaticContact CD2-CG 3.51Å; F181-Y195 HydrophobicContact CD2-CG 3.51Å; F181-Y195 AromaticContact CE1-CD1 3.67Å; F181-Y195 HydrophobicContact CE1-CD1 3.67Å; F181-Y195 HydrophobicContact CE1-CE1 4.06Å; F181-Y195 HydrophobicContact CE1-CG 4.48Å; F181-Y195 AromaticContact CE2-CD1 3.42Å; F181-Y195 HydrophobicContact CE2-CD1 3.42Å; F181-Y195 VanDerWaalsContact CE2-CD1 3.42Å; F181-Y195 HydrophobicContact CE2-CD2 4.13Å; F181-Y195 HydrophobicContact CE2-CE1 4.2Å; F181-Y195 AromaticContact CE2-CG 3.37Å; F181-Y195 HydrophobicContact CE2-CG 3.37Å; F181-Y195 AromaticContact CG-CD1 3.67Å; F181-Y195 HydrophobicContact CG-CD1 3.67Å; F181-Y195 HydrophobicContact CG-CD2 4.46Å; F181-Y195 AromaticContact CG-CE1 3.56Å; F181-Y195 HydrophobicContact CG-CE1 3.56Å; F181-Y195 HydrophobicContact CG-CE2 4.38Å; F181-Y195 HydrophobicContact CG-CG 4.13Å; F181-Y195 AromaticContact CG-CZ 3.95Å; F181-Y195 AromaticContact CZ-CD1 3.49Å; F181-Y195 HydrophobicContact CZ-CD1 3.49Å; F181-Y195 VanDerWaalsContact CZ-CD1 3.49Å; F181-Y195 HydrophobicContact CZ-CE1 4.29Å; F181-Y195 AromaticContact CZ-CG 3.89Å; F181-Y195 HydrophobicContact CZ-CG 3.89Å; H191-Y195 VanDerWaalsContact O-CB 3.26Å; H191-Y195 WeakPolarHBondContact O-CB 3.47Å; H191-Y195 PolarHBondContact O-N 3.03Å; V192-Y195 PolarHBondContact O-N 3.21Å; R193-Y195 VanDerWaalsContact C-N 3.27Å; R193-Y195 PolarHBondContact O-N 3.04Å; Y195-R198 PolarHBondContact O-N 3.05Å; Y195-L199 HydrophobicContact CD1-CB 4.46Å; Y195-L199 HydrophobicContact CE1-CB 4.28Å; Y195-L199 HydrophobicContact CE1-CD1 3.82Å; Y195-L199 HydrophobicContact CE1-CD2 4.48Å; Y195-L199 HydrophobicContact CE1-CG 4.42Å; Y195-L199 VanDerWaalsContact O-CB 3.29Å; Y195-L199 WeakPolarHBondContact O-CB 3.21Å; Y195-L199 PolarHBondContact O-N 3.43Å
196L89.8Confident87.1Confident0 Ų065.1 Ų65.10%033%0.333CS..Hα-helixtrans-62.1-43.4177-68.4175.8000111.3F181 V192 R193 R198 L199 L200 F209 I233 Q236 L237F181-L196 HydrophobicContact CE1-CD2 4.35Å; V192-L196 HydrophobicContact CG1-CD1 3.95Å; V192-L196 HydrophobicContact CG1-CG 4.42Å; V192-L196 VanDerWaalsContact O-CG 3.25Å; V192-L196 WeakPolarHBondContact O-CG 3.37Å; V192-L196 PolarHBondContact O-N 3.43Å; R193-L196 PolarHBondContact O-N 3.47Å; L196-R198 VanDerWaalsContact C-N 3.28Å; L196-R198 PolarHBondContact O-N 3.49Å; L196-L199 PolarHBondContact O-N 2.93Å; L196-L200 HydrophobicContact CB-CD1 3.92Å; L196-L200 HydrophobicContact CD2-CD1 4.16Å; L196-L200 WeakPolarHBondContact O-CB 3.37Å; L196-L200 WeakPolarHBondContact O-CD1 3.44Å; L196-L200 WeakPolarHBondContact O-CG 3.34Å; L196-L200 PolarHBondContact O-N 3.39Å; L196-F209 HydrophobicContact CD2-CD1 4.23Å; L196-F209 HydrophobicContact CD2-CE1 3.58Å; L196-F209 HydrophobicContact CD2-CE2 4.07Å; L196-F209 HydrophobicContact CD2-CZ 3.48Å; L196-F209 VanDerWaalsContact CD2-CZ 3.48Å; L196-I233 HydrophobicContact CD1-CG2 4.5Å; L196-I233 HydrophobicContact CD2-CG2 4.43Å; L196-Q236 HydrophobicContact CD1-CB 3.77Å; L196-L237 HydrophobicContact CD1-CD2 4.11Å; L196-L237 HydrophobicContact CD1-CG 3.93Å; L196-L237 HydrophobicContact CD2-CD2 3.89Å; L196-L237 HydrophobicContact CD2-CG 4.22Å; L196-L237 HydrophobicContact CG-CD2 4.5Å
197E88.8Confident86.7Confident89 Ų8963.6 Ų63.642%0.41631%0.312SS..Hα-helixtrans-62.3-35.2177-75.6177.5179.300113.1R193 V240R193-E197 WeakPolarHBondContact O-CG 3.4Å; R193-E197 PolarHBondContact O-N 3.44Å; E197-V240 HydrophobicContact CG-CG1 3.55Å; E197-V240 HydrophobicContact CG-CG2 4.16Å
198R88.7Confident86.6Confident147 Ų14764 Ų6456%0.55531%0.313SS*.Hα-helixtrans-74.2-39.4175.6-174.7179.164.9112.33.4112.4E177 A194 Y195 L196 V201E177-R198 IonicContact OE1-CZ 3.25Å; E177-R198 IonicContact OE1-NH1 3.72Å; E177-R198 IonicContact OE1-NH2 2.68Å; E177-R198 PolarHBondContact OE1-NH2 3.13Å; A194-R198 WeakPolarHBondContact O-CB 3.19Å; A194-R198 PolarHBondContact O-N 2.69Å; A194-R198 VanDerWaalsContact O-N 3.08Å; Y195-R198 PolarHBondContact O-N 3.05Å; L196-R198 VanDerWaalsContact C-N 3.28Å; L196-R198 PolarHBondContact O-N 3.49Å; R198-V201 VanDerWaalsContact O-CG2 3.24Å; R198-V201 WeakPolarHBondContact O-CG2 3.46Å
199L86.7Confident86.6Confident32 Ų3262.2 Ų62.217%0.16830%0.3CS..Hα-helixtrans-79.7-38.4-174.6-167.7106.8000112.2V178 Y195 L196 V201 A205 F209V178-L199 HydrophobicContact CG2-CD1 3.85Å; V178-L199 HydrophobicContact CG2-CD2 4.47Å; Y195-L199 HydrophobicContact CD1-CB 4.46Å; Y195-L199 HydrophobicContact CE1-CB 4.28Å; Y195-L199 HydrophobicContact CE1-CD1 3.82Å; Y195-L199 HydrophobicContact CE1-CD2 4.48Å; Y195-L199 HydrophobicContact CE1-CG 4.42Å; Y195-L199 VanDerWaalsContact O-CB 3.29Å; Y195-L199 WeakPolarHBondContact O-CB 3.21Å; Y195-L199 PolarHBondContact O-N 3.43Å; L196-L199 PolarHBondContact O-N 2.93Å; L199-V201 PolarHBondContact O-N 2.98Å; L199-A205 WeakPolarHBondContact O-CB 3.42Å; L199-F209 HydrophobicContact CD2-CB 3.83Å; L199-F209 HydrophobicContact CD2-CD2 3.38Å; L199-F209 HydrophobicContact CD2-CE2 4.21Å; L199-F209 HydrophobicContact CD2-CG 3.84Å
200L85.4Confident86.5Confident6 Ų659.7 Ų59.73%0.03129%0.287CS..  trans-88.355.4-171.8-55.4173.5000111.4L196 N202 C206 F209 L237 F245L196-L200 HydrophobicContact CB-CD1 3.92Å; L196-L200 HydrophobicContact CD2-CD1 4.16Å; L196-L200 WeakPolarHBondContact O-CB 3.37Å; L196-L200 WeakPolarHBondContact O-CD1 3.44Å; L196-L200 WeakPolarHBondContact O-CG 3.34Å; L196-L200 PolarHBondContact O-N 3.39Å; L200-N202 VanDerWaalsContact C-N 3.26Å; L200-N202 PolarHBondContact O-N 2.9Å; L200-C206 HydrophobicContact CD2-CB 4.01Å; L200-C206 VanDerWaalsContact CD2-SG 3.59Å; L200-F209 HydrophobicContact CD2-CB 4.1Å; L200-F209 HydrophobicContact CD2-CG 4.37Å; L200-L237 HydrophobicContact CD1-CD2 3.33Å; L200-F245 WeakPolarHBondContact O-CE2 3.44Å
201V84.6Confident86.3Confident115 Ų11558.1 Ų58.170%0.69728%0.279SS*.SBendtrans-69.6-27.1-179.6-168.90000111.5R198 L199R198-V201 VanDerWaalsContact O-CG2 3.24Å; R198-V201 WeakPolarHBondContact O-CG2 3.46Å; L199-V201 PolarHBondContact O-N 2.98Å
202N83Confident86.4Confident80 Ų8054.2 Ų54.243%0.42826%0.261SS..SBendtrans-149.6165.4179.361.353000111.8L200 K204 A205 C206L200-N202 VanDerWaalsContact C-N 3.26Å; L200-N202 PolarHBondContact O-N 2.9Å; N202-K204 PolarHBondContact O-N 2.86Å; N202-K204 WeakPolarHBondContact OD1-CB 3.36Å; N202-K204 PolarHBondContact OD1-N 2.92Å; N202-A205 PolarHBondContact O-N 2.72Å; N202-A205 VanDerWaalsContact O-N 3.14Å; N202-A205 PolarHBondContact OD1-N 3.32Å; N202-C206 PolarHBondContact O-N 3.25Å; N202-C206 PolarHBondContact O-SG 3.09Å
203E76.8Confident86.4Confident109 Ų10954.2 Ų54.251%0.50926%0.261SS..Hα-helixtrans-58.8-32.4-177.8-166.9-177.2164.300113.2C206 W207E203-C206 WeakPolarHBondContact O-CB 3.26Å; E203-C206 PolarHBondContact O-N 3.45Å; E203-W207 PolarHBondContact O-N 2.97Å
204K82.3Confident86.2Confident128 Ų12850.5 Ų50.556%0.55725%0.247SC*.Hα-helixtrans-66.4-42.6177.8-176.1178.9179.1178.40111.8N202 C206 W207 Q208N202-K204 PolarHBondContact O-N 2.86Å; N202-K204 WeakPolarHBondContact OD1-CB 3.36Å; N202-K204 PolarHBondContact OD1-N 2.92Å; K204-C206 VanDerWaalsContact C-N 3.3Å; K204-C206 PolarHBondContact O-N 3.28Å; K204-W207 PolarHBondContact O-N 3.11Å; K204-Q208 PolarHBondContact O-N 3.42Å; K204-Q208 VanDerWaalsContact O-N 3.13Å
205A84.5Confident86.1Confident18 Ų1850.5 Ų50.515%0.14924%0.237CC..Hα-helixtrans-63.5-38.1174.500000111.2L199 N202 W207 Q208 F209L199-A205 WeakPolarHBondContact O-CB 3.42Å; N202-A205 PolarHBondContact O-N 2.72Å; N202-A205 VanDerWaalsContact O-N 3.14Å; N202-A205 PolarHBondContact OD1-N 3.32Å; A205-W207 PolarHBondContact O-N 3.44Å; A205-Q208 PolarHBondContact O-N 3.36Å; A205-F209 WeakPolarHBondContact O-CB 3.43Å; A205-F209 PolarHBondContact O-N 3.08Å
206C82.8Confident86.1Confident1 Ų150 Ų501%0.00724%0.237CC..Hα-helixtrans-58.5-46.4172.8-560000112.1L200 N202 E203 K204 Q208 F209 L210 L248L200-C206 HydrophobicContact CD2-CB 4.01Å; L200-C206 VanDerWaalsContact CD2-SG 3.59Å; N202-C206 PolarHBondContact O-N 3.25Å; N202-C206 PolarHBondContact O-SG 3.09Å; E203-C206 WeakPolarHBondContact O-CB 3.26Å; E203-C206 PolarHBondContact O-N 3.45Å; K204-C206 VanDerWaalsContact C-N 3.3Å; K204-C206 PolarHBondContact O-N 3.28Å; C206-Q208 PolarHBondContact O-N 3.49Å; C206-F209 PolarHBondContact O-N 2.78Å; C206-L210 WeakPolarHBondContact O-CB 3.49Å; C206-L210 VanDerWaalsContact O-CG 3.29Å; C206-L210 WeakPolarHBondContact O-CG 3.36Å; C206-L210 PolarHBondContact O-N 3.08Å; C206-L248 HydrophobicContact CB-CD1 3.62Å
207W80.9Confident85.8Confident71 Ų7150 Ų5027%0.26924%0.237SC..Hα-helixtrans-60.8-44.9177.6-89.4109.2000113.5E203 K204 A205 F209 L210 H211 L251 F255E203-W207 PolarHBondContact O-N 2.97Å; K204-W207 PolarHBondContact O-N 3.11Å; A205-W207 PolarHBondContact O-N 3.44Å; W207-F209 VanDerWaalsContact C-N 3.32Å; W207-F209 PolarHBondContact O-N 2.89Å; W207-L210 PolarHBondContact O-N 3.36Å; W207-H211 WeakPolarHBondContact O-CB 3.46Å; W207-H211 PolarHBondContact O-N 3.04Å; W207-L251 HydrophobicContact CD2-CD1 4.32Å; W207-L251 VanDerWaalsContact CE2-CD1 3.47Å; W207-L251 HydrophobicContact CH2-CB 4.49Å; W207-L251 HydrophobicContact CH2-CD2 3.74Å; W207-L251 HydrophobicContact CH2-CG 4.47Å; W207-L251 HydrophobicContact CZ2-CB 4.33Å; W207-L251 HydrophobicContact CZ2-CD1 3.68Å; W207-L251 HydrophobicContact CZ2-CD2 3.17Å; W207-L251 HydrophobicContact CZ2-CG 3.87Å; W207-L251 VanDerWaalsContact NE1-CD1 3.27Å; W207-F255 HydrophobicContact CE3-CE2 4.36Å; W207-F255 AromaticContact CZ3-CE2 3.71Å; W207-F255 HydrophobicContact CZ3-CE2 3.71Å; W207-F255 HydrophobicContact CZ3-CZ 4.07Å
208Q85.5Confident85.5Confident43 Ų4349.4 Ų49.420%0.20124%0.235CC..Hα-helixtrans-62-44177.8-70.5179.7-35.500110.9Y169 K204 A205 C206 H211 K212Y169-Q208 HydrophobicContact CE1-CB 4.35Å; Y169-Q208 HydrophobicContact CE2-CB 4.38Å; Y169-Q208 PolarHBondContact OH-O 3.07Å; K204-Q208 PolarHBondContact O-N 3.42Å; K204-Q208 VanDerWaalsContact O-N 3.13Å; A205-Q208 PolarHBondContact O-N 3.36Å; C206-Q208 PolarHBondContact O-N 3.49Å; Q208-H211 PolarHBondContact O-N 2.86Å; Q208-K212 PolarHBondContact O-N 3.36Å; Q208-K212 VanDerWaalsContact O-N 3.07Å
209F89.6Confident85.5Confident0 Ų050.4 Ų50.40%024%0.243CC..Hα-helixtrans-62-47.2175.6-175.5-95.6000112.3V178 F181 L182 L196 L199 L200 A205 C206 W207 H211 K212 W213 I233 L237V178-F209 HydrophobicContact CG1-CD2 4Å; V178-F209 HydrophobicContact CG1-CE2 4.18Å; F181-F209 AromaticContact CD1-CE2 3.99Å; F181-F209 HydrophobicContact CD1-CE2 3.99Å; F181-F209 HydrophobicContact CD1-CZ 4.22Å; F181-F209 HydrophobicContact CE1-CE2 4.02Å; F181-F209 AromaticContact CE1-CZ 3.88Å; F181-F209 HydrophobicContact CE1-CZ 3.88Å; L182-F209 HydrophobicContact CD2-CE1 4.48Å; L182-F209 HydrophobicContact CD2-CE2 3.92Å; L182-F209 HydrophobicContact CD2-CZ 3.66Å; L182-F209 HydrophobicContact CG-CE2 4.47Å; L196-F209 HydrophobicContact CD2-CD1 4.23Å; L196-F209 HydrophobicContact CD2-CE1 3.58Å; L196-F209 HydrophobicContact CD2-CE2 4.07Å; L196-F209 HydrophobicContact CD2-CZ 3.48Å; L196-F209 VanDerWaalsContact CD2-CZ 3.48Å; L199-F209 HydrophobicContact CD2-CB 3.83Å; L199-F209 HydrophobicContact CD2-CD2 3.38Å; L199-F209 HydrophobicContact CD2-CE2 4.21Å; L199-F209 HydrophobicContact CD2-CG 3.84Å; L200-F209 HydrophobicContact CD2-CB 4.1Å; L200-F209 HydrophobicContact CD2-CG 4.37Å; A205-F209 WeakPolarHBondContact O-CB 3.43Å; A205-F209 PolarHBondContact O-N 3.08Å; C206-F209 PolarHBondContact O-N 2.78Å; W207-F209 VanDerWaalsContact C-N 3.32Å; W207-F209 PolarHBondContact O-N 2.89Å; F209-H211 VanDerWaalsContact C-N 3.31Å; F209-H211 PolarHBondContact O-N 3.49Å; F209-K212 PolarHBondContact O-N 2.93Å; F209-W213 HydrophobicContact CE1-CB 4.35Å; F209-W213 VanDerWaalsContact O-CB 3.25Å; F209-W213 WeakPolarHBondContact O-CB 3.39Å; F209-W213 PolarHBondContact O-N 3.08Å; F209-I233 HydrophobicContact CE1-CG2 3.67Å; F209-I233 HydrophobicContact CZ-CG2 3.66Å; F209-L237 HydrophobicContact CD1-CD1 4.06Å; F209-L237 HydrophobicContact CD1-CD2 4.25Å; F209-L237 HydrophobicContact CE1-CD1 3.74Å; F209-L237 HydrophobicContact CE1-CD2 4.24Å; F209-L237 HydrophobicContact CE1-CG 4.23Å
210L87.6Confident85.3Confident1 Ų149.5 Ų49.51%0.00524%0.239CC..Hα-helixtrans-61.7-38.6179-72.9-179000112.4C206 W207 W213 F214 L237 L248 L251 L252 F255C206-L210 WeakPolarHBondContact O-CB 3.49Å; C206-L210 VanDerWaalsContact O-CG 3.29Å; C206-L210 WeakPolarHBondContact O-CG 3.36Å; C206-L210 PolarHBondContact O-N 3.08Å; W207-L210 PolarHBondContact O-N 3.36Å; L210-W213 PolarHBondContact O-N 3.33Å; L210-F214 WeakPolarHBondContact O-CB 3.33Å; L210-F214 PolarHBondContact O-N 2.89Å; L210-L237 HydrophobicContact CD2-CD1 3.66Å; L210-L248 HydrophobicContact CD1-CD1 4.01Å; L210-L251 HydrophobicContact CD1-CB 4.34Å; L210-L252 HydrophobicContact CD1-CD1 4.41Å; L210-L252 HydrophobicContact CD2-CD1 3.37Å; L210-F255 HydrophobicContact CB-CE2 4.35Å
211H86.7Confident84.6Confident88 Ų8851.7 Ų51.741%0.40725%0.253SS..Hα-helixtrans-66.2-44.2177-162.8-79.5000111.5W207 Q208 F209 F214 Q215W207-H211 WeakPolarHBondContact O-CB 3.46Å; W207-H211 PolarHBondContact O-N 3.04Å; Q208-H211 PolarHBondContact O-N 2.86Å; F209-H211 VanDerWaalsContact C-N 3.31Å; F209-H211 PolarHBondContact O-N 3.49Å; H211-F214 PolarHBondContact O-N 3.31Å; H211-Q215 PolarHBondContact CE1-NE2 3.39Å; H211-Q215 PolarHBondContact ND1-NE2 3.18Å; H211-Q215 WeakPolarHBondContact O-CG 3.45Å; H211-Q215 PolarHBondContact O-N 3.4Å
212K90.7Very high84.4Confident39 Ų3949.5 Ų49.517%0.1725%0.254CS..Hα-helixtrans-64.3-44.7174.3-79.9-64.4-156.6148.80112.3Y169 V178 D179 L182 Q208 F209 F214 Q215 S216Y169-K212 HydrophobicContact CE2-CD 4.4Å; Y169-K212 HydrophobicContact CE2-CG 3.66Å; V178-K212 HydrophobicContact CG1-CB 4.03Å; V178-K212 HydrophobicContact CG1-CG 4.35Å; D179-K212 IonicContact OD1-NZ 2.94Å; D179-K212 PolarHBondContact OD1-NZ 3.5Å; D179-K212 IonicContact OD2-NZ 2.77Å; D179-K212 PolarHBondContact OD2-NZ 3.36Å; L182-K212 HydrophobicContact CD1-CB 3.93Å; Q208-K212 PolarHBondContact O-N 3.36Å; Q208-K212 VanDerWaalsContact O-N 3.07Å; F209-K212 PolarHBondContact O-N 2.93Å; K212-F214 VanDerWaalsContact C-N 3.3Å; K212-F214 PolarHBondContact O-N 2.86Å; K212-Q215 PolarHBondContact O-N 3.15Å; K212-S216 PolarHBondContact O-N 3.3Å; K212-S216 PolarHBondContact O-OG 2.94Å
213W90.8Very high84.6Confident0 Ų047.8 Ų47.80%025%0.248CC..Hα-helixtrans-54.8-47.2174.4175.588.9000111L182 F209 L210 S216 M217 L230 A234 F255 L256 A259L182-W213 HydrophobicContact CD2-CB 4.13Å; L182-W213 HydrophobicContact CD2-CG 4.43Å; F209-W213 HydrophobicContact CE1-CB 4.35Å; F209-W213 VanDerWaalsContact O-CB 3.25Å; F209-W213 WeakPolarHBondContact O-CB 3.39Å; F209-W213 PolarHBondContact O-N 3.08Å; L210-W213 PolarHBondContact O-N 3.33Å; W213-S216 PolarHBondContact O-N 3.45Å; W213-M217 HydrophobicContact CD2-CG 4.12Å; W213-M217 HydrophobicContact CE3-CG 4.22Å; W213-M217 HydrophobicContact CH2-CG 3.86Å; W213-M217 HydrophobicContact CH2-SD 4.47Å; W213-M217 HydrophobicContact CZ2-CG 3.75Å; W213-M217 HydrophobicContact CZ2-SD 4.05Å; W213-M217 HydrophobicContact CZ3-CG 4.09Å; W213-M217 WeakPolarHBondContact O-CG 3.49Å; W213-M217 PolarHBondContact O-N 2.87Å; W213-L230 HydrophobicContact CG-CD2 4.46Å; W213-L230 HydrophobicContact CZ2-CB 4.48Å; W213-L230 PolarHBondContact NE1-O 2.97Å; W213-A234 HydrophobicContact CH2-CB 4.38Å; W213-A234 HydrophobicContact CZ2-CB 3.74Å; W213-F255 HydrophobicContact CZ3-CB 4.12Å; W213-L256 HydrophobicContact CH2-CD2 4.4Å; W213-A259 HydrophobicContact CH2-CB 3.79Å; W213-A259 HydrophobicContact CZ3-CB 4.23Å
214F85.1Confident85Confident12 Ų1245.5 Ų45.55%0.05324%0.236CC..Hα-helixtrans-68.5-39179-175.2-102.5000112.7L210 H211 K212 S216 M217 Q218 F255 K258L210-F214 WeakPolarHBondContact O-CB 3.33Å; L210-F214 PolarHBondContact O-N 2.89Å; H211-F214 PolarHBondContact O-N 3.31Å; K212-F214 VanDerWaalsContact C-N 3.3Å; K212-F214 PolarHBondContact O-N 2.86Å; F214-S216 VanDerWaalsContact C-N 3.32Å; F214-S216 PolarHBondContact O-N 3.39Å; F214-M217 WeakPolarHBondContact O-CB 3.16Å; F214-M217 PolarHBondContact O-N 2.91Å; F214-Q218 HydrophobicContact CD1-CG 4.4Å; F214-Q218 HydrophobicContact CE1-CG 3.77Å; F214-Q218 VanDerWaalsContact CE1-NE2 3.25Å; F214-Q218 HydrophobicContact CE2-CG 4.43Å; F214-Q218 HydrophobicContact CZ-CG 3.74Å; F214-Q218 WeakPolarHBondContact O-CG 3.16Å; F214-Q218 PolarHBondContact O-N 3.39Å; F214-F255 HydrophobicContact CB-CD1 3.55Å; F214-F255 HydrophobicContact CB-CE1 3.85Å; F214-F255 HydrophobicContact CD1-CD1 4.17Å; F214-F255 HydrophobicContact CD1-CE1 4.25Å; F214-F255 AromaticContact CD2-CD1 3.79Å; F214-F255 HydrophobicContact CD2-CD1 3.79Å; F214-F255 AromaticContact CG-CD1 3.53Å; F214-F255 HydrophobicContact CG-CD1 3.53Å; F214-F255 AromaticContact CG-CE1 3.97Å; F214-F255 HydrophobicContact CG-CE1 3.97Å; F214-K258 HydrophobicContact CE1-CD 3.9Å; F214-K258 HydrophobicContact CE2-CB 3.84Å; F214-K258 HydrophobicContact CE2-CD 3.87Å; F214-K258 HydrophobicContact CE2-CG 3.78Å; F214-K258 HydrophobicContact CZ-CB 4.11Å; F214-K258 HydrophobicContact CZ-CD 3.25Å; F214-K258 HydrophobicContact CZ-CG 3.55Å
215Q88.9Confident85.2Confident57 Ų5741.8 Ų41.827%0.26623%0.229SC..Hα-helixtrans-61.6-40.5172.1-76.7-179.7-14.900112H211 K212 Q218 K219H211-Q215 PolarHBondContact CE1-NE2 3.39Å; H211-Q215 PolarHBondContact ND1-NE2 3.18Å; H211-Q215 WeakPolarHBondContact O-CG 3.45Å; H211-Q215 PolarHBondContact O-N 3.4Å; K212-Q215 PolarHBondContact O-N 3.15Å; Q215-Q218 PolarHBondContact O-N 3.48Å; Q215-K219 WeakPolarHBondContact O-CG 3.4Å; Q215-K219 PolarHBondContact O-N 2.94Å
216S88.2Confident85.1Confident13 Ų1342.7 Ų42.79%0.09123%0.231CC..Hα-helixtrans-63.9-44.1173.9-67.50000110.8L182 K212 W213 F214 Q218 K219 S220L182-S216 WeakPolarHBondContact CD1-OG 3.21Å; K212-S216 PolarHBondContact O-N 3.3Å; K212-S216 PolarHBondContact O-OG 2.94Å; W213-S216 PolarHBondContact O-N 3.45Å; F214-S216 VanDerWaalsContact C-N 3.32Å; F214-S216 PolarHBondContact O-N 3.39Å; S216-Q218 VanDerWaalsContact C-N 3.28Å; S216-Q218 PolarHBondContact O-N 3.02Å; S216-K219 PolarHBondContact O-N 3.21Å; S216-K219 VanDerWaalsContact O-N 3.09Å; S216-S220 VanDerWaalsContact O-CB 3.22Å; S216-S220 WeakPolarHBondContact O-CB 2.97Å; S216-S220 PolarHBondContact O-N 3.04Å; S216-S220 PolarHBondContact O-OG 3.11Å
217M83.3Confident85.3Confident1 Ų142.7 Ų42.71%0.00523%0.231CC..Hα-helixtrans-54.2-44.3173.4-77.3-66.5-6300112.3W213 F214 S220 V227 L230 F231 A259 T263W213-M217 HydrophobicContact CD2-CG 4.12Å; W213-M217 HydrophobicContact CE3-CG 4.22Å; W213-M217 HydrophobicContact CH2-CG 3.86Å; W213-M217 HydrophobicContact CH2-SD 4.47Å; W213-M217 HydrophobicContact CZ2-CG 3.75Å; W213-M217 HydrophobicContact CZ2-SD 4.05Å; W213-M217 HydrophobicContact CZ3-CG 4.09Å; W213-M217 WeakPolarHBondContact O-CG 3.49Å; W213-M217 PolarHBondContact O-N 2.87Å; F214-M217 WeakPolarHBondContact O-CB 3.16Å; F214-M217 PolarHBondContact O-N 2.91Å; M217-S220 PolarHBondContact O-N 3.34Å; M217-V227 HydrophobicContact CE-CG1 4.21Å; M217-L230 HydrophobicContact CB-CD1 4.32Å; M217-L230 HydrophobicContact CG-CB 4.04Å; M217-L230 HydrophobicContact CG-CD1 3.74Å; M217-L230 HydrophobicContact CG-CG 4.41Å; M217-L230 HydrophobicContact SD-CB 3.18Å; M217-L230 WeakPolarHBondContact SD-CB 3.47Å; M217-L230 HydrophobicContact SD-CD1 3.36Å; M217-L230 WeakPolarHBondContact SD-CD1 3.49Å; M217-L230 HydrophobicContact SD-CG 3.88Å; M217-F231 HydrophobicContact CE-CD2 4.36Å; M217-F231 HydrophobicContact CE-CE2 3.82Å; M217-F231 HydrophobicContact CE-CZ 3.9Å; M217-A259 HydrophobicContact CE-CB 3.82Å; M217-T263 HydrophobicContact CE-CG2 3.28Å
218Q84.2Confident85.6Confident77 Ų7740 Ų4036%0.3623%0.225SC..Hα-helixtrans-66.7-36.2177.7-76.4-169.9-37.600113.4F214 Q215 S216 T221 E262F214-Q218 HydrophobicContact CD1-CG 4.4Å; F214-Q218 HydrophobicContact CE1-CG 3.77Å; F214-Q218 VanDerWaalsContact CE1-NE2 3.25Å; F214-Q218 HydrophobicContact CE2-CG 4.43Å; F214-Q218 HydrophobicContact CZ-CG 3.74Å; F214-Q218 WeakPolarHBondContact O-CG 3.16Å; F214-Q218 PolarHBondContact O-N 3.39Å; Q215-Q218 PolarHBondContact O-N 3.48Å; S216-Q218 VanDerWaalsContact C-N 3.28Å; S216-Q218 PolarHBondContact O-N 3.02Å; Q218-T221 WeakPolarHBondContact O-CG2 3.4Å; Q218-E262 WeakPolarHBondContact CG-OE2 3.33Å; Q218-E262 PolarHBondContact NE2-OE1 3.03Å
219K87.3Confident85.7Confident168 Ų16838.1 Ų38.173%0.7322%0.215SC*.Hα-helixtrans-77.8-28.2178-71.1175.8-178.7-178.90112.6Q215 S216 T221Q215-K219 WeakPolarHBondContact O-CG 3.4Å; Q215-K219 PolarHBondContact O-N 2.94Å; S216-K219 PolarHBondContact O-N 3.21Å; S216-K219 VanDerWaalsContact O-N 3.09Å; K219-T221 VanDerWaalsContact C-N 3.3Å; K219-T221 PolarHBondContact O-N 2.86Å
220S82.3Confident85.7Confident12 Ų1238.1 Ų38.18%0.08422%0.215CC..THydrogen-bonded Turntrans-87.411.7-173.2-62.80000114.5S216 M217 G222 S223 I226S216-S220 VanDerWaalsContact O-CB 3.22Å; S216-S220 WeakPolarHBondContact O-CB 2.97Å; S216-S220 PolarHBondContact O-N 3.04Å; S216-S220 PolarHBondContact O-OG 3.11Å; M217-S220 PolarHBondContact O-N 3.34Å; S220-G222 PolarHBondContact O-N 3.27Å; S220-S223 PolarHBondContact O-N 3.47Å; S220-I226 WeakPolarHBondContact OG-CG2 3.24Å
221T72.4Confident85.8Confident53 Ų5338 Ų3833%0.32522%0.215SC..THydrogen-bonded Turntrans-59-10.4-176.754.30000115Q218 K219 T266 H267Q218-T221 WeakPolarHBondContact O-CG2 3.4Å; K219-T221 VanDerWaalsContact C-N 3.3Å; K219-T221 PolarHBondContact O-N 2.86Å; T221-T266 WeakPolarHBondContact O-CB 3.24Å; T221-T266 PolarHBondContact O-OG1 3.13Å; T221-H267 PolarHBondContact O-NE2 3.34Å; T221-H267 VanDerWaalsContact O-NE2 3.08Å
222G80.3Confident86Confident69 Ų6937.7 Ų37.771%0.71121%0.21SC*.THydrogen-bonded Turntrans-95.6-14.2175.300000116S220S220-G222 PolarHBondContact O-N 3.27Å
223S86Confident86Confident44 Ų4435.8 Ų35.831%0.30820%0.202SC..  trans-124106.6-177.3179.50000111.5S220 A225 I226 V227S220-S223 PolarHBondContact O-N 3.47Å; S223-A225 PolarHBondContact O-N 3.47Å; S223-I226 PolarHBondContact O-N 2.81Å; S223-I226 VanDerWaalsContact O-N 3.15Å; S223-V227 PolarHBondContact O-N 3.49Å; S223-V227 VanDerWaalsContact O-N 3.12Å
224F85.6Confident85.9Confident61 Ų6135.8 Ų35.827%0.26820%0.202SC..Hα-helixtrans-56.9-36.4176.5176.4-105.7000112.4I226 V227 A228 H267 Q270 L274F224-I226 VanDerWaalsContact C-N 3.31Å; F224-I226 PolarHBondContact O-N 3.32Å; F224-V227 PolarHBondContact O-N 3.46Å; F224-A228 HydrophobicContact CE1-CB 4.18Å; F224-A228 HydrophobicContact CE2-CB 4.42Å; F224-A228 HydrophobicContact CZ-CB 4.05Å; F224-A228 VanDerWaalsContact O-CB 3.27Å; F224-A228 WeakPolarHBondContact O-CB 3.22Å; F224-A228 PolarHBondContact O-N 3.18Å; F224-H267 HydrophobicContact CB-CB 4.45Å; F224-H267 HydrophobicContact CD2-CB 3.97Å; F224-H267 PolarHBondContact N-NE2 3.4Å; F224-Q270 HydrophobicContact CD1-CB 3.87Å; F224-Q270 HydrophobicContact CD1-CG 4.39Å; F224-Q270 HydrophobicContact CD2-CB 3.75Å; F224-Q270 HydrophobicContact CE1-CB 3.56Å; F224-Q270 HydrophobicContact CE1-CG 4.34Å; F224-Q270 HydrophobicContact CE2-CB 3.46Å; F224-Q270 VanDerWaalsContact CE2-CB 3.46Å; F224-Q270 HydrophobicContact CG-CB 3.96Å; F224-Q270 HydrophobicContact CZ-CB 3.35Å; F224-L274 HydrophobicContact CZ-CB 4.44Å; F224-L274 HydrophobicContact CZ-CD2 4.36Å
225A85.5Confident86.2Confident49 Ų4935.6 Ų35.641%0.40520%0.201SC..Hα-helixtrans-60.6-40179.600000112.3V185 S223 H229V185-A225 HydrophobicContact CG1-CB 4.32Å; S223-A225 PolarHBondContact O-N 3.47Å; A225-H229 WeakPolarHBondContact O-CB 3.45Å; A225-H229 PolarHBondContact O-N 3.2Å
226I83.9Confident86.4Confident38 Ų3833.1 Ų33.120%0.19519%0.19CC..Hα-helixtrans-73.1-43.6177.2-56.4172.6000110.4V185 S220 S223 F224 A228 H229 L230V185-I226 HydrophobicContact CG2-CG1 3.98Å; S220-I226 WeakPolarHBondContact OG-CG2 3.24Å; S223-I226 PolarHBondContact O-N 2.81Å; S223-I226 VanDerWaalsContact O-N 3.15Å; F224-I226 VanDerWaalsContact C-N 3.31Å; F224-I226 PolarHBondContact O-N 3.32Å; I226-A228 VanDerWaalsContact C-N 3.28Å; I226-A228 PolarHBondContact O-N 2.94Å; I226-H229 WeakPolarHBondContact O-CB 3.06Å; I226-H229 PolarHBondContact O-N 2.96Å; I226-L230 HydrophobicContact CG2-CD1 3.89Å; I226-L230 HydrophobicContact CG2-CG 4.24Å; I226-L230 WeakPolarHBondContact O-CB 3.36Å; I226-L230 VanDerWaalsContact O-CG 3.29Å; I226-L230 WeakPolarHBondContact O-CG 3.41Å; I226-L230 PolarHBondContact O-N 3.01Å
227V85.6Confident86.4Confident0 Ų032.6 Ų32.60%019%0.186CC..Hα-helixtrans-57.3-43.8175169.40000111.3M217 S223 F224 L230 F231 T263M217-V227 HydrophobicContact CE-CG1 4.21Å; S223-V227 PolarHBondContact O-N 3.49Å; S223-V227 VanDerWaalsContact O-N 3.12Å; F224-V227 PolarHBondContact O-N 3.46Å; V227-L230 PolarHBondContact O-N 3.21Å; V227-F231 HydrophobicContact CG1-CD2 3.76Å; V227-F231 HydrophobicContact CG1-CE2 3.69Å; V227-F231 WeakPolarHBondContact O-CD2 2.9Å; V227-F231 PolarHBondContact O-N 3.33Å; V227-T263 HydrophobicContact CB-CG2 4.43Å; V227-T263 HydrophobicContact CG1-CG2 3.46Å; V227-T263 VanDerWaalsContact CG1-CG2 3.46Å; V227-T263 HydrophobicContact CG2-CG2 4.06Å
228A87.4Confident86.6Confident16 Ų1633 Ų3313%0.13219%0.188CC..Hα-helixtrans-63.9-42.6177.800000111.9F224 I226 F231 R232 L274F224-A228 HydrophobicContact CE1-CB 4.18Å; F224-A228 HydrophobicContact CE2-CB 4.42Å; F224-A228 HydrophobicContact CZ-CB 4.05Å; F224-A228 VanDerWaalsContact O-CB 3.27Å; F224-A228 WeakPolarHBondContact O-CB 3.22Å; F224-A228 PolarHBondContact O-N 3.18Å; I226-A228 VanDerWaalsContact C-N 3.28Å; I226-A228 PolarHBondContact O-N 2.94Å; A228-F231 PolarHBondContact O-N 2.58Å; A228-R232 WeakPolarHBondContact O-CG 3.39Å; A228-R232 PolarHBondContact O-N 3.38Å; A228-L274 VanDerWaalsContact CA-CD2 3.49Å; A228-L274 HydrophobicContact CB-CD2 3.61Å
229H88.6Confident86.8Confident2 Ų231.9 Ų31.91%0.00918%0.182CC..Hα-helixtrans-61.8-42.1174.2-178.266.4000112.2F181 N184 V185 A225 I226 R232 I233F181-H229 PolarHBondContact O-NE2 3.38Å; N184-H229 PolarHBondContact O-CE1 3.33Å; N184-H229 PolarHBondContact O-NE2 2.99Å; V185-H229 HydrophobicContact CG1-CB 4.32Å; V185-H229 HydrophobicContact CG2-CB 4.14Å; A225-H229 WeakPolarHBondContact O-CB 3.45Å; A225-H229 PolarHBondContact O-N 3.2Å; I226-H229 WeakPolarHBondContact O-CB 3.06Å; I226-H229 PolarHBondContact O-N 2.96Å; H229-R232 WeakPolarHBondContact O-CB 3.28Å; H229-R232 PolarHBondContact O-N 3.35Å; H229-I233 WeakPolarHBondContact NE2-CD1 3.5Å; H229-I233 WeakPolarHBondContact O-CG1 3.49Å; H229-I233 PolarHBondContact O-N 3.34Å
230L88.6Confident86.7Confident0 Ų024.3 Ų24.30%015%0.15CC..Hα-helixtrans-67.2-37.3177.7-69.4169.3000112.2L182 W213 M217 I226 V227 I233 A234L182-L230 HydrophobicContact CB-CD2 4.14Å; L182-L230 HydrophobicContact CD2-CD2 3.81Å; W213-L230 HydrophobicContact CG-CD2 4.46Å; W213-L230 HydrophobicContact CZ2-CB 4.48Å; W213-L230 PolarHBondContact NE1-O 2.97Å; M217-L230 HydrophobicContact CB-CD1 4.32Å; M217-L230 HydrophobicContact CG-CB 4.04Å; M217-L230 HydrophobicContact CG-CD1 3.74Å; M217-L230 HydrophobicContact CG-CG 4.41Å; M217-L230 HydrophobicContact SD-CB 3.18Å; M217-L230 WeakPolarHBondContact SD-CB 3.47Å; M217-L230 HydrophobicContact SD-CD1 3.36Å; M217-L230 WeakPolarHBondContact SD-CD1 3.49Å; M217-L230 HydrophobicContact SD-CG 3.88Å; I226-L230 HydrophobicContact CG2-CD1 3.89Å; I226-L230 HydrophobicContact CG2-CG 4.24Å; I226-L230 WeakPolarHBondContact O-CB 3.36Å; I226-L230 VanDerWaalsContact O-CG 3.29Å; I226-L230 WeakPolarHBondContact O-CG 3.41Å; I226-L230 PolarHBondContact O-N 3.01Å; V227-L230 PolarHBondContact O-N 3.21Å; L230-I233 HydrophobicContact CD2-CD1 4.13Å; L230-I233 WeakPolarHBondContact O-CB 3.29Å; L230-I233 PolarHBondContact O-N 2.85Å; L230-A234 PolarHBondContact O-N 3.09Å
231F90.4Very high86.3Confident0 Ų024 Ų240%015%0.147CC..Hα-helixtrans-67-34.7170.8-81.7-61.7000112.7M217 V227 A228 I233 A234 D235 L256 A259 V260 T263 T271 L274 L275 L278M217-F231 HydrophobicContact CE-CD2 4.36Å; M217-F231 HydrophobicContact CE-CE2 3.82Å; M217-F231 HydrophobicContact CE-CZ 3.9Å; V227-F231 HydrophobicContact CG1-CD2 3.76Å; V227-F231 HydrophobicContact CG1-CE2 3.69Å; V227-F231 WeakPolarHBondContact O-CD2 2.9Å; V227-F231 PolarHBondContact O-N 3.33Å; A228-F231 PolarHBondContact O-N 2.58Å; F231-I233 VanDerWaalsContact C-N 3.33Å; F231-A234 PolarHBondContact O-N 3.22Å; F231-D235 PolarHBondContact O-N 3.4Å; F231-L256 HydrophobicContact CD1-CD2 4.34Å; F231-L256 HydrophobicContact CE1-CD2 4.2Å; F231-A259 HydrophobicContact CE1-CB 4.22Å; F231-A259 HydrophobicContact CZ-CB 4.17Å; F231-V260 HydrophobicContact CE1-CG2 4.06Å; F231-V260 HydrophobicContact CZ-CG2 4.03Å; F231-T263 HydrophobicContact CE2-CG2 4.01Å; F231-T263 HydrophobicContact CZ-CG2 4.41Å; F231-T271 HydrophobicContact CE2-CG2 4.28Å; F231-L274 HydrophobicContact CB-CD2 4.23Å; F231-L274 HydrophobicContact CD2-CD2 4.44Å; F231-L275 HydrophobicContact CD1-CD2 3.73Å; F231-L275 HydrophobicContact CD2-CD2 4.19Å; F231-L275 HydrophobicContact CE1-CD2 3.64Å; F231-L275 HydrophobicContact CE2-CD1 4.48Å; F231-L275 HydrophobicContact CE2-CD2 4.08Å; F231-L275 HydrophobicContact CE2-CG 4.49Å; F231-L275 HydrophobicContact CG-CD2 4.03Å; F231-L275 HydrophobicContact CZ-CD1 4.29Å; F231-L275 HydrophobicContact CZ-CD2 3.82Å; F231-L275 HydrophobicContact CZ-CG 4.49Å; F231-L278 HydrophobicContact CB-CD1 3.79Å
232R90.6Very high86.3Confident80 Ų8024.6 Ų24.630%0.30216%0.158SC..Hα-helixtrans-62.1-39.7169.7-75.4172.563.1-174.7-4.3111.9D189 A228 H229 D235 Q236D189-R232 VanDerWaalsContact CG-NH2 3.27Å; D189-R232 IonicContact OD1-CZ 2.85Å; D189-R232 VanDerWaalsContact OD1-CZ 3.25Å; D189-R232 IonicContact OD1-NE 3.76Å; D189-R232 PolarHBondContact OD1-NE 2.99Å; D189-R232 IonicContact OD1-NH2 3.44Å; D189-R232 PolarHBondContact OD1-NH2 3.47Å; D189-R232 IonicContact OD2-NH2 3.6Å; A228-R232 WeakPolarHBondContact O-CG 3.39Å; A228-R232 PolarHBondContact O-N 3.38Å; H229-R232 WeakPolarHBondContact O-CB 3.28Å; H229-R232 PolarHBondContact O-N 3.35Å; R232-D235 WeakPolarHBondContact O-CB 3.3Å; R232-D235 PolarHBondContact O-N 3.21Å; R232-Q236 WeakPolarHBondContact O-CG 3.03Å; R232-Q236 PolarHBondContact O-N 3.33Å
233I90.5Very high86Confident0 Ų026 Ų260%016%0.157CC..Hα-helixtrans-61.9-43.4172.9-71.3161.1000110.9F181 L182 V192 L196 F209 H229 L230 F231 D235 Q236 L237F181-I233 HydrophobicContact CE1-CD1 4.02Å; F181-I233 HydrophobicContact CE1-CG1 4.23Å; L182-I233 HydrophobicContact CD2-CD1 3.95Å; V192-I233 HydrophobicContact CG1-CG1 3.9Å; L196-I233 HydrophobicContact CD1-CG2 4.5Å; L196-I233 HydrophobicContact CD2-CG2 4.43Å; F209-I233 HydrophobicContact CE1-CG2 3.67Å; F209-I233 HydrophobicContact CZ-CG2 3.66Å; H229-I233 WeakPolarHBondContact NE2-CD1 3.5Å; H229-I233 WeakPolarHBondContact O-CG1 3.49Å; H229-I233 PolarHBondContact O-N 3.34Å; L230-I233 HydrophobicContact CD2-CD1 4.13Å; L230-I233 WeakPolarHBondContact O-CB 3.29Å; L230-I233 PolarHBondContact O-N 2.85Å; F231-I233 VanDerWaalsContact C-N 3.33Å; I233-D235 VanDerWaalsContact C-N 3.31Å; I233-D235 PolarHBondContact O-N 3.39Å; I233-Q236 PolarHBondContact O-N 2.84Å; I233-L237 HydrophobicContact CG2-CD1 4.2Å; I233-L237 HydrophobicContact CG2-CG 4.4Å; I233-L237 WeakPolarHBondContact O-CB 3.28Å; I233-L237 WeakPolarHBondContact O-CG 3.43Å; I233-L237 PolarHBondContact O-N 3.13Å
234A89.9Confident85.6Confident0 Ų029.4 Ų29.40%017%0.166CC..Hα-helixtrans-63.8-36.9176.900000112.5W213 L230 F231 L237 L238 L256W213-A234 HydrophobicContact CH2-CB 4.38Å; W213-A234 HydrophobicContact CZ2-CB 3.74Å; L230-A234 PolarHBondContact O-N 3.09Å; F231-A234 PolarHBondContact O-N 3.22Å; A234-L237 WeakPolarHBondContact O-CB 3.02Å; A234-L237 PolarHBondContact O-N 3.37Å; A234-L238 WeakPolarHBondContact O-CG 3.38Å; A234-L238 PolarHBondContact O-N 3.14Å; A234-L256 HydrophobicContact CB-CD2 3.99Å
235D91.6Very high85.4Confident7 Ų728.8 Ų28.84%0.03716%0.163CC..Hα-helixtrans-62.2-49.8172177.766.3000111.9F231 R232 I233 L237 L238 K239 L278 W282F231-D235 PolarHBondContact O-N 3.4Å; R232-D235 WeakPolarHBondContact O-CB 3.3Å; R232-D235 PolarHBondContact O-N 3.21Å; I233-D235 VanDerWaalsContact C-N 3.31Å; I233-D235 PolarHBondContact O-N 3.39Å; D235-L237 VanDerWaalsContact C-N 3.29Å; D235-L237 PolarHBondContact O-N 3.34Å; D235-L238 PolarHBondContact O-N 3.23Å; D235-L238 VanDerWaalsContact O-N 3.13Å; D235-K239 VanDerWaalsContact CG-NZ 3.35Å; D235-K239 WeakPolarHBondContact O-CG 3.33Å; D235-K239 PolarHBondContact O-N 3.19Å; D235-K239 WeakPolarHBondContact OD1-CE 3.44Å; D235-K239 IonicContact OD1-NZ 2.73Å; D235-K239 PolarHBondContact OD1-NZ 3.38Å; D235-K239 WeakPolarHBondContact OD2-CE 3.3Å; D235-K239 IonicContact OD2-NZ 3.35Å; D235-K239 PolarHBondContact OD2-NZ 2.75Å; D235-L278 HydrophobicContact CB-CD2 3.89Å; D235-W282 HydrophobicContact CB-CZ2 4.34Å; D235-W282 PolarHBondContact OD1-NE1 3.03Å
236Q91.4Very high84.8Confident5 Ų531.4 Ų31.42%0.02318%0.177CC..Hα-helixtrans-64.3-35176.5-65.3-51.3-52.300112.2V192 R193 L196 R232 I233 K239 V240V192-Q236 HydrophobicContact CB-CG 4.49Å; V192-Q236 HydrophobicContact CG1-CB 3.91Å; V192-Q236 HydrophobicContact CG1-CG 3.85Å; R193-Q236 VanDerWaalsContact CZ-OE1 3.3Å; L196-Q236 HydrophobicContact CD1-CB 3.77Å; R232-Q236 WeakPolarHBondContact O-CG 3.03Å; R232-Q236 PolarHBondContact O-N 3.33Å; I233-Q236 PolarHBondContact O-N 2.84Å; Q236-K239 PolarHBondContact O-N 3.46Å; Q236-V240 WeakPolarHBondContact O-CB 3.38Å; Q236-V240 VanDerWaalsContact O-CG2 3.27Å; Q236-V240 WeakPolarHBondContact O-CG2 3.19Å; Q236-V240 PolarHBondContact O-N 3.49Å
237L88.7Confident84.6Confident2 Ų231.7 Ų31.71%0.0119%0.188CC..Hα-helixtrans-59.7-45.5171.5-83.4172.5000111.4L196 L200 F209 L210 I233 A234 D235 N241 L252L196-L237 HydrophobicContact CD1-CD2 4.11Å; L196-L237 HydrophobicContact CD1-CG 3.93Å; L196-L237 HydrophobicContact CD2-CD2 3.89Å; L196-L237 HydrophobicContact CD2-CG 4.22Å; L196-L237 HydrophobicContact CG-CD2 4.5Å; L200-L237 HydrophobicContact CD1-CD2 3.33Å; F209-L237 HydrophobicContact CD1-CD1 4.06Å; F209-L237 HydrophobicContact CD1-CD2 4.25Å; F209-L237 HydrophobicContact CE1-CD1 3.74Å; F209-L237 HydrophobicContact CE1-CD2 4.24Å; F209-L237 HydrophobicContact CE1-CG 4.23Å; L210-L237 HydrophobicContact CD2-CD1 3.66Å; I233-L237 HydrophobicContact CG2-CD1 4.2Å; I233-L237 HydrophobicContact CG2-CG 4.4Å; I233-L237 WeakPolarHBondContact O-CB 3.28Å; I233-L237 WeakPolarHBondContact O-CG 3.43Å; I233-L237 PolarHBondContact O-N 3.13Å; A234-L237 WeakPolarHBondContact O-CB 3.02Å; A234-L237 PolarHBondContact O-N 3.37Å; D235-L237 VanDerWaalsContact C-N 3.29Å; D235-L237 PolarHBondContact O-N 3.34Å; L237-N241 WeakPolarHBondContact O-CB 3.43Å; L237-N241 VanDerWaalsContact O-CG 3.24Å; L237-N241 PolarHBondContact O-N 2.85Å; L237-N241 VanDerWaalsContact O-N 3.16Å; L237-N241 PolarHBondContact O-ND2 2.91Å; L237-L252 HydrophobicContact CD1-CD1 4.49Å
238L88.2Confident84.2Confident11 Ų1132.1 Ų32.16%0.05819%0.191CC..Hα-helixtrans-63.6-44177-75.1168.8000111.3A234 D235 A242 L252 L256 W282 L287 L288A234-L238 WeakPolarHBondContact O-CG 3.38Å; A234-L238 PolarHBondContact O-N 3.14Å; D235-L238 PolarHBondContact O-N 3.23Å; D235-L238 VanDerWaalsContact O-N 3.13Å; L238-A242 PolarHBondContact O-N 3.44Å; L238-A242 VanDerWaalsContact O-N 3.1Å; L238-L252 HydrophobicContact CD1-CD2 3.91Å; L238-L252 HydrophobicContact CD2-CD2 3.48Å; L238-L252 VanDerWaalsContact CD2-CD2 3.48Å; L238-L252 HydrophobicContact CG-CD2 3.4Å; L238-L256 HydrophobicContact CD1-CD1 4.31Å; L238-W282 HydrophobicContact CD1-CD2 3.94Å; L238-W282 HydrophobicContact CD1-CG 4.24Å; L238-W282 HydrophobicContact CD1-CZ2 4.02Å; L238-L287 HydrophobicContact CB-CB 4.22Å; L238-L287 HydrophobicContact CB-CD1 3.84Å; L238-L287 HydrophobicContact CB-CG 4.48Å; L238-L287 HydrophobicContact CD1-CB 4.46Å; L238-L288 HydrophobicContact CD1-CD1 4.38Å; L238-L288 HydrophobicContact CD1-CD2 4.2Å; L238-L288 HydrophobicContact CD1-CG 4.17Å; L238-L288 HydrophobicContact CD2-CD2 3.94Å
239K88.6Confident83.8Confident53 Ų5334.4 Ų34.423%0.2320%0.199CC..Hα-helixtrans-66.7-48-178.2-72.5173.6177.3160.80113.3D235 Q236 N241 E281 E285 L287D235-K239 VanDerWaalsContact CG-NZ 3.35Å; D235-K239 WeakPolarHBondContact O-CG 3.33Å; D235-K239 PolarHBondContact O-N 3.19Å; D235-K239 WeakPolarHBondContact OD1-CE 3.44Å; D235-K239 IonicContact OD1-NZ 2.73Å; D235-K239 PolarHBondContact OD1-NZ 3.38Å; D235-K239 WeakPolarHBondContact OD2-CE 3.3Å; D235-K239 IonicContact OD2-NZ 3.35Å; D235-K239 PolarHBondContact OD2-NZ 2.75Å; Q236-K239 PolarHBondContact O-N 3.46Å; K239-N241 VanDerWaalsContact C-N 3.33Å; K239-N241 PolarHBondContact O-N 3.05Å; K239-E281 IonicContact NZ-OE2 2.82Å; K239-E281 PolarHBondContact NZ-OE2 3.43Å; K239-E281 VanDerWaalsContact NZ-OE2 3.09Å; K239-E285 WeakPolarHBondContact CE-OE1 3.4Å; K239-E285 VanDerWaalsContact CE-OE2 3.23Å; K239-E285 WeakPolarHBondContact CE-OE2 3.04Å; K239-L287 HydrophobicContact CG-CD1 3.92Å
240V83.9Confident83.3Confident9 Ų938.4 Ų38.46%0.05523%0.226CC..Hα-helixtrans-64.5-39.5178.3172.90000111.1R193 E197 Q236 S243R193-V240 HydrophobicContact CG-CG2 3.54Å; E197-V240 HydrophobicContact CG-CG1 3.55Å; E197-V240 HydrophobicContact CG-CG2 4.16Å; Q236-V240 WeakPolarHBondContact O-CB 3.38Å; Q236-V240 VanDerWaalsContact O-CG2 3.27Å; Q236-V240 WeakPolarHBondContact O-CG2 3.19Å; Q236-V240 PolarHBondContact O-N 3.49Å; V240-S243 PolarHBondContact O-OG 3.3Å; V240-S243 VanDerWaalsContact O-OG 3.08Å
241N73.7Confident82.8Confident4 Ų439.9 Ų39.92%0.02123%0.234CC..Hα-helixtrans-90.8-19.2-166.9-65.9-50.7000115.1L237 K239 S243 K244 F245 L248L237-N241 WeakPolarHBondContact O-CB 3.43Å; L237-N241 VanDerWaalsContact O-CG 3.24Å; L237-N241 PolarHBondContact O-N 2.85Å; L237-N241 VanDerWaalsContact O-N 3.16Å; L237-N241 PolarHBondContact O-ND2 2.91Å; K239-N241 VanDerWaalsContact C-N 3.33Å; K239-N241 PolarHBondContact O-N 3.05Å; N241-S243 PolarHBondContact O-N 2.64Å; N241-K244 PolarHBondContact O-N 3.43Å; N241-F245 CarbonylContact O-C 3.56Å; N241-F245 PolarHBondContact O-N 3.33Å; N241-L248 HydrophobicContact CB-CD2 3.58Å; N241-L248 WeakPolarHBondContact ND2-CD2 3.41Å
242A72.3Confident82.5Confident67 Ų6740 Ų4055%0.55423%0.234SC*.Hα-helixtrans-50.9-29.5173.800000112.3L238 L287L238-A242 PolarHBondContact O-N 3.44Å; L238-A242 VanDerWaalsContact O-N 3.1Å; A242-L287 HydrophobicContact CB-CD2 4.03Å
243S75.6Confident82.1Confident99 Ų9938 Ų3869%0.69223%0.228SC*.Hα-helixtrans-87.2-37.617666.90000114.9V240 N241V240-S243 PolarHBondContact O-OG 3.3Å; V240-S243 VanDerWaalsContact O-OG 3.08Å; N241-S243 PolarHBondContact O-N 2.64Å
244K77.7Confident81.7Confident114 Ų11441.8 Ų41.850%0.49625%0.253SS..Hα-helixtrans-96.8-34.4-170.1-69.5-176-179174.60114.7N241N241-K244 PolarHBondContact O-N 3.43Å
245F80.2Confident81.4Confident48 Ų4843.3 Ų43.321%0.21126%0.26CS..  trans-14183-172-58.3-74.5000111.6L200 N241 G247 L248L200-F245 WeakPolarHBondContact O-CE2 3.44Å; N241-F245 CarbonylContact O-C 3.56Å; N241-F245 PolarHBondContact O-N 3.33Å; F245-G247 PolarHBondContact O-N 2.7Å; F245-G247 VanDerWaalsContact O-N 3.12Å; F245-L248 HydrophobicContact CB-CB 4.1Å; F245-L248 WeakPolarHBondContact O-CB 3.3Å; F245-L248 PolarHBondContact O-N 3.28Å
246P74Confident81.2Confident105 Ų10543 Ų4368%0.68226%0.258SS*.THydrogen-bonded Turntrans-56.9-32.5-177.5-23.732.3000113.7L248P246-L248 VanDerWaalsContact C-N 3.27Å; P246-L248 PolarHBondContact O-N 3.24Å
247G78.1Confident80.8Confident43 Ų4343.9 Ų43.944%0.44326%0.264SS..THydrogen-bonded Turntrans-69.7-19.5179.100000114.5F245 Q249 C250 L251F245-G247 PolarHBondContact O-N 2.7Å; F245-G247 VanDerWaalsContact O-N 3.12Å; G247-Q249 PolarHBondContact O-N 3.04Å; G247-C250 PolarHBondContact O-N 3.24Å; G247-L251 PolarHBondContact O-N 3.28Å
248L77.5Confident80.5Confident9 Ų948.5 Ų48.55%0.04728%0.284CS..Hα-helixtrans-66.6-28-176.2-165.577.3000112.3C206 L210 N241 F245 P246 C250 L251 L252C206-L248 HydrophobicContact CB-CD1 3.62Å; L210-L248 HydrophobicContact CD1-CD1 4.01Å; N241-L248 HydrophobicContact CB-CD2 3.58Å; N241-L248 WeakPolarHBondContact ND2-CD2 3.41Å; F245-L248 HydrophobicContact CB-CB 4.1Å; F245-L248 WeakPolarHBondContact O-CB 3.3Å; F245-L248 PolarHBondContact O-N 3.28Å; P246-L248 VanDerWaalsContact C-N 3.27Å; P246-L248 PolarHBondContact O-N 3.24Å; L248-C250 VanDerWaalsContact C-N 3.33Å; L248-C250 PolarHBondContact O-N 2.71Å; L248-L251 HydrophobicContact CD1-CB 4.34Å; L248-L251 HydrophobicContact CD1-CD1 3.97Å; L248-L251 CarbonylContact O-C 2.89Å; L248-L251 WeakPolarHBondContact O-CA 3.48Å; L248-L251 WeakPolarHBondContact O-CB 3.47Å; L248-L251 PolarHBondContact O-N 3.38Å; L248-L252 PolarHBondContact O-N 3.21Å
249Q79Confident80.3Confident65 Ų6548 Ų4830%0.30428%0.281SS..Hα-helixtrans-52.9-53.7174.1-176.6-178-5.900110.1G247 L251 L252 E253 L287 L288 S289G247-Q249 PolarHBondContact O-N 3.04Å; Q249-L251 PolarHBondContact O-N 3.36Å; Q249-L251 VanDerWaalsContact O-N 3.14Å; Q249-L252 PolarHBondContact O-N 3.4Å; Q249-E253 VanDerWaalsContact O-CG 3.26Å; Q249-E253 WeakPolarHBondContact O-CG 3.23Å; Q249-E253 PolarHBondContact O-N 3.2Å; Q249-E253 VanDerWaalsContact O-N 3.15Å; Q249-L287 WeakPolarHBondContact CG-O 3.42Å; Q249-L287 PolarHBondContact NE2-O 2.76Å; Q249-L288 HydrophobicContact CG-CD2 4.25Å; Q249-L288 VanDerWaalsContact NE2-CA 3.29Å; Q249-S289 VanDerWaalsContact NE2-N 3.18Å
250C78.2Confident80.2Confident86 Ų8645.5 Ų45.558%0.58127%0.27SS*.Hα-helixtrans-58.5-27.9177.2-62.80000113.2G247 L248 P254G247-C250 PolarHBondContact O-N 3.24Å; L248-C250 VanDerWaalsContact C-N 3.33Å; L248-C250 PolarHBondContact O-N 2.71Å; C250-P254 WeakPolarHBondContact O-CD 3.24Å
251L79.2Confident80.2Confident31 Ų3150.8 Ų50.816%0.16229%0.292CS..Hα-helixtrans-77.7-35.4177.5-57.2-175.9000112W207 L210 G247 L248 Q249 P254 F255W207-L251 HydrophobicContact CD2-CD1 4.32Å; W207-L251 VanDerWaalsContact CE2-CD1 3.47Å; W207-L251 HydrophobicContact CH2-CB 4.49Å; W207-L251 HydrophobicContact CH2-CD2 3.74Å; W207-L251 HydrophobicContact CH2-CG 4.47Å; W207-L251 HydrophobicContact CZ2-CB 4.33Å; W207-L251 HydrophobicContact CZ2-CD1 3.68Å; W207-L251 HydrophobicContact CZ2-CD2 3.17Å; W207-L251 HydrophobicContact CZ2-CG 3.87Å; W207-L251 VanDerWaalsContact NE1-CD1 3.27Å; L210-L251 HydrophobicContact CD1-CB 4.34Å; G247-L251 PolarHBondContact O-N 3.28Å; L248-L251 HydrophobicContact CD1-CB 4.34Å; L248-L251 HydrophobicContact CD1-CD1 3.97Å; L248-L251 CarbonylContact O-C 2.89Å; L248-L251 WeakPolarHBondContact O-CA 3.48Å; L248-L251 WeakPolarHBondContact O-CB 3.47Å; L248-L251 PolarHBondContact O-N 3.38Å; Q249-L251 PolarHBondContact O-N 3.36Å; Q249-L251 VanDerWaalsContact O-N 3.14Å; L251-P254 WeakPolarHBondContact O-CD 3.42Å; L251-F255 WeakPolarHBondContact O-CD2 3.43Å
252L82.8Confident80.6Confident1 Ų152.9 Ų52.91%0.00530%0.302CS..Hα-helixtrans-78.9-31.4-177-164.271.6000112.6L210 L237 L238 L248 Q249 F255 L256L210-L252 HydrophobicContact CD1-CD1 4.41Å; L210-L252 HydrophobicContact CD2-CD1 3.37Å; L237-L252 HydrophobicContact CD1-CD1 4.49Å; L238-L252 HydrophobicContact CD1-CD2 3.91Å; L238-L252 HydrophobicContact CD2-CD2 3.48Å; L238-L252 VanDerWaalsContact CD2-CD2 3.48Å; L238-L252 HydrophobicContact CG-CD2 3.4Å; L248-L252 PolarHBondContact O-N 3.21Å; Q249-L252 PolarHBondContact O-N 3.4Å; L252-F255 PolarHBondContact O-N 3.25Å; L252-F255 VanDerWaalsContact O-N 3.11Å; L252-L256 HydrophobicContact CD2-CD1 3.67Å; L252-L256 HydrophobicContact CD2-CG 4.19Å; L252-L256 HydrophobicContact CG-CD1 3.75Å; L252-L256 HydrophobicContact CG-CG 3.88Å; L252-L256 PolarHBondContact O-N 3.33Å
253E84Confident81Confident38 Ų3849.7 Ų49.718%0.17828%0.276CS..Hα-helixtrans-54.1-46.4-175.8-53.8-170.6135.400113.8Q249 F255 T257 L288 S289 T292Q249-E253 VanDerWaalsContact O-CG 3.26Å; Q249-E253 WeakPolarHBondContact O-CG 3.23Å; Q249-E253 PolarHBondContact O-N 3.2Å; Q249-E253 VanDerWaalsContact O-N 3.15Å; E253-F255 PolarHBondContact O-N 3.28Å; E253-T257 WeakPolarHBondContact O-CB 3.45Å; E253-T257 PolarHBondContact O-N 2.98Å; E253-T257 PolarHBondContact O-OG1 3.42Å; E253-L288 HydrophobicContact CG-CD2 4.3Å; E253-S289 PolarHBondContact OE1-OG 3.49Å; E253-T292 HydrophobicContact CB-CG2 3.8Å; E253-T292 HydrophobicContact CG-CG2 3.77Å; E253-T292 WeakPolarHBondContact OE1-CB 3.48Å; E253-T292 PolarHBondContact OE1-OG1 3.45Å; E253-T292 PolarHBondContact OE2-OG1 3.13Å; E253-T292 VanDerWaalsContact OE2-OG1 3.07Å
254P80.9Confident81.2Confident81 Ų8145 Ų4553%0.52624%0.243SC..Hα-helixtrans-65.4-38.9177.9-20.333.6000112.7C250 L251 T257 K258C250-P254 WeakPolarHBondContact O-CD 3.24Å; L251-P254 WeakPolarHBondContact O-CD 3.42Å; P254-T257 PolarHBondContact O-N 2.87Å; P254-K258 WeakPolarHBondContact O-CB 3.26Å; P254-K258 PolarHBondContact O-N 2.94Å
255F84.4Confident81.3Confident32 Ų3243.5 Ų43.514%0.1425%0.247CC..Hα-helixtrans-67.8-43.9178.5-74-74.1000111.5W207 L210 W213 F214 L251 L252 E253 K258 A259W207-F255 HydrophobicContact CE3-CE2 4.36Å; W207-F255 AromaticContact CZ3-CE2 3.71Å; W207-F255 HydrophobicContact CZ3-CE2 3.71Å; W207-F255 HydrophobicContact CZ3-CZ 4.07Å; L210-F255 HydrophobicContact CB-CE2 4.35Å; W213-F255 HydrophobicContact CZ3-CB 4.12Å; F214-F255 HydrophobicContact CB-CD1 3.55Å; F214-F255 HydrophobicContact CB-CE1 3.85Å; F214-F255 HydrophobicContact CD1-CD1 4.17Å; F214-F255 HydrophobicContact CD1-CE1 4.25Å; F214-F255 AromaticContact CD2-CD1 3.79Å; F214-F255 HydrophobicContact CD2-CD1 3.79Å; F214-F255 AromaticContact CG-CD1 3.53Å; F214-F255 HydrophobicContact CG-CD1 3.53Å; F214-F255 AromaticContact CG-CE1 3.97Å; F214-F255 HydrophobicContact CG-CE1 3.97Å; L251-F255 WeakPolarHBondContact O-CD2 3.43Å; L252-F255 PolarHBondContact O-N 3.25Å; L252-F255 VanDerWaalsContact O-N 3.11Å; E253-F255 PolarHBondContact O-N 3.28Å; F255-K258 PolarHBondContact O-N 3.06Å; F255-A259 WeakPolarHBondContact O-CB 3.33Å; F255-A259 PolarHBondContact O-N 3.27Å
256L86.3Confident81.4Confident0 Ų044 Ų440%025%0.254CS..Hα-helixtrans-61-44.3174-79.1171.9000111.5W213 F231 A234 L238 L252 K258 A259 V260 W282 L288 L296W213-L256 HydrophobicContact CH2-CD2 4.4Å; F231-L256 HydrophobicContact CD1-CD2 4.34Å; F231-L256 HydrophobicContact CE1-CD2 4.2Å; A234-L256 HydrophobicContact CB-CD2 3.99Å; L238-L256 HydrophobicContact CD1-CD1 4.31Å; L252-L256 HydrophobicContact CD2-CD1 3.67Å; L252-L256 HydrophobicContact CD2-CG 4.19Å; L252-L256 HydrophobicContact CG-CD1 3.75Å; L252-L256 HydrophobicContact CG-CG 3.88Å; L252-L256 PolarHBondContact O-N 3.33Å; L256-K258 VanDerWaalsContact C-N 3.31Å; L256-K258 PolarHBondContact O-N 2.77Å; L256-A259 PolarHBondContact O-N 3.38Å; L256-V260 WeakPolarHBondContact O-CB 3.38Å; L256-V260 VanDerWaalsContact O-CG2 3.32Å; L256-V260 WeakPolarHBondContact O-CG2 3.43Å; L256-V260 PolarHBondContact O-N 2.87Å; L256-W282 HydrophobicContact CD1-CH2 4.2Å; L256-W282 HydrophobicContact CD1-CZ3 4.18Å; L256-W282 HydrophobicContact CD2-CH2 3.82Å; L256-W282 HydrophobicContact CD2-CZ3 4.36Å; L256-L288 HydrophobicContact CD1-CD1 4.07Å; L256-L288 HydrophobicContact CD1-CD2 4.31Å; L256-L296 HydrophobicContact CB-CD1 4.45Å; L256-L296 HydrophobicContact CB-CD2 4.12Å
257T83.4Confident81.5Confident23 Ų2340.5 Ų40.514%0.14123%0.229CC..Hα-helixtrans-58.8-45.4178.1-58.80000111.1E253 P254 K261E253-T257 WeakPolarHBondContact O-CB 3.45Å; E253-T257 PolarHBondContact O-N 2.98Å; E253-T257 PolarHBondContact O-OG1 3.42Å; P254-T257 PolarHBondContact O-N 2.87Å; T257-K261 WeakPolarHBondContact O-CB 3.47Å; T257-K261 PolarHBondContact O-N 3.36Å; T257-K261 VanDerWaalsContact O-N 3.08Å
258K83.5Confident81.4Confident100 Ų10039.7 Ų39.744%0.43521%0.212SC..Hα-helixtrans-69.3-42.1178.4-164.1173.1172.7-160.90112.1F214 P254 F255 L256 K261 E262F214-K258 HydrophobicContact CE1-CD 3.9Å; F214-K258 HydrophobicContact CE2-CB 3.84Å; F214-K258 HydrophobicContact CE2-CD 3.87Å; F214-K258 HydrophobicContact CE2-CG 3.78Å; F214-K258 HydrophobicContact CZ-CB 4.11Å; F214-K258 HydrophobicContact CZ-CD 3.25Å; F214-K258 HydrophobicContact CZ-CG 3.55Å; P254-K258 WeakPolarHBondContact O-CB 3.26Å; P254-K258 PolarHBondContact O-N 2.94Å; F255-K258 PolarHBondContact O-N 3.06Å; L256-K258 VanDerWaalsContact C-N 3.31Å; L256-K258 PolarHBondContact O-N 2.77Å; K258-K261 WeakPolarHBondContact O-CB 3.45Å; K258-K261 PolarHBondContact O-N 2.97Å; K258-E262 WeakPolarHBondContact CE-OE1 3.43Å; K258-E262 WeakPolarHBondContact O-CG 3.29Å; K258-E262 PolarHBondContact O-N 3.2Å
259A83.8Confident81.8Confident0 Ų043 Ų430%023%0.234CC..Hα-helixtrans-59.5-47.7175.800000112.4W213 M217 F231 F255 L256 K261 E262 T263W213-A259 HydrophobicContact CH2-CB 3.79Å; W213-A259 HydrophobicContact CZ3-CB 4.23Å; M217-A259 HydrophobicContact CE-CB 3.82Å; F231-A259 HydrophobicContact CE1-CB 4.22Å; F231-A259 HydrophobicContact CZ-CB 4.17Å; F255-A259 WeakPolarHBondContact O-CB 3.33Å; F255-A259 PolarHBondContact O-N 3.27Å; L256-A259 PolarHBondContact O-N 3.38Å; A259-K261 VanDerWaalsContact C-N 3.32Å; A259-K261 PolarHBondContact O-N 3Å; A259-E262 PolarHBondContact O-N 3.46Å; A259-T263 WeakPolarHBondContact O-CB 3.31Å; A259-T263 WeakPolarHBondContact O-CG2 3.37Å; A259-T263 PolarHBondContact O-N 3.23Å; A259-T263 PolarHBondContact O-OG1 3.23Å
260V86.1Confident82Confident0 Ų044.2 Ų44.20%024%0.24CC..Hα-helixtrans-62.5-41.9176.1171.10000110.6F231 L256 E262 T263 A264 L275 F279 L296 H299 L300F231-V260 HydrophobicContact CE1-CG2 4.06Å; F231-V260 HydrophobicContact CZ-CG2 4.03Å; L256-V260 WeakPolarHBondContact O-CB 3.38Å; L256-V260 VanDerWaalsContact O-CG2 3.32Å; L256-V260 WeakPolarHBondContact O-CG2 3.43Å; L256-V260 PolarHBondContact O-N 2.87Å; V260-E262 VanDerWaalsContact C-N 3.35Å; V260-E262 PolarHBondContact O-N 2.63Å; V260-T263 PolarHBondContact O-OG1 2.88Å; V260-A264 WeakPolarHBondContact O-CB 3.2Å; V260-A264 PolarHBondContact O-N 3.4Å; V260-L275 HydrophobicContact CB-CD1 4.4Å; V260-L275 HydrophobicContact CG1-CD1 4.04Å; V260-L275 HydrophobicContact CG2-CD1 3.78Å; V260-L275 HydrophobicContact CG2-CD2 4.18Å; V260-F279 HydrophobicContact CG2-CZ 4.48Å; V260-L296 HydrophobicContact CB-CD2 4.29Å; V260-L296 HydrophobicContact CG2-CD2 3.93Å; V260-H299 HydrophobicContact CG1-CB 4.16Å; V260-L300 HydrophobicContact CG1-CB 4.36Å; V260-L300 HydrophobicContact CG1-CD1 4.46Å
261K83.1Confident82.2Confident120 Ų12040.1 Ų40.152%0.52221%0.212SC..Hα-helixtrans-61.1-42.2177.9-175.2-179177.7-177.10112.4T257 K258 A259 N303T257-K261 WeakPolarHBondContact O-CB 3.47Å; T257-K261 PolarHBondContact O-N 3.36Å; T257-K261 VanDerWaalsContact O-N 3.08Å; K258-K261 WeakPolarHBondContact O-CB 3.45Å; K258-K261 PolarHBondContact O-N 2.97Å; A259-K261 VanDerWaalsContact C-N 3.32Å; A259-K261 PolarHBondContact O-N 3Å; K261-N303 PolarHBondContact O-ND2 2.97Å
262E82.3Confident82.5Confident48 Ų4842 Ų4222%0.22422%0.219CC..Hα-helixtrans-75.3-47.5-179.4-72.2175.3175.800111.9Q218 K258 A259 V260 S265Q218-E262 WeakPolarHBondContact CG-OE2 3.33Å; Q218-E262 PolarHBondContact NE2-OE1 3.03Å; K258-E262 WeakPolarHBondContact CE-OE1 3.43Å; K258-E262 WeakPolarHBondContact O-CG 3.29Å; K258-E262 PolarHBondContact O-N 3.2Å; A259-E262 PolarHBondContact O-N 3.46Å; V260-E262 VanDerWaalsContact C-N 3.35Å; V260-E262 PolarHBondContact O-N 2.63Å; E262-S265 WeakPolarHBondContact O-CB 3.28Å; E262-S265 PolarHBondContact O-N 2.91Å; E262-S265 PolarHBondContact O-OG 3.07Å
263T81Confident82.7Confident1 Ų148.6 Ų48.61%0.00625%0.25CC..Hα-helixtrans-71.9-36.1-175.951.20000114.4M217 V227 F231 A259 V260 S265 T266 H267M217-T263 HydrophobicContact CE-CG2 3.28Å; V227-T263 HydrophobicContact CB-CG2 4.43Å; V227-T263 HydrophobicContact CG1-CG2 3.46Å; V227-T263 VanDerWaalsContact CG1-CG2 3.46Å; V227-T263 HydrophobicContact CG2-CG2 4.06Å; F231-T263 HydrophobicContact CE2-CG2 4.01Å; F231-T263 HydrophobicContact CZ-CG2 4.41Å; A259-T263 WeakPolarHBondContact O-CB 3.31Å; A259-T263 WeakPolarHBondContact O-CG2 3.37Å; A259-T263 PolarHBondContact O-N 3.23Å; A259-T263 PolarHBondContact O-OG1 3.23Å; V260-T263 PolarHBondContact O-OG1 2.88Å; T263-S265 PolarHBondContact O-N 2.84Å; T263-S265 VanDerWaalsContact O-N 3.09Å; T263-T266 PolarHBondContact O-N 2.95Å; T263-T266 PolarHBondContact O-OG1 3.44Å; T263-H267 PolarHBondContact O-N 3.22Å
264A80Confident82.9Confident0 Ų048.5 Ų48.50%025%0.25CS..THydrogen-bonded Turntrans-68.1-7.9176.400000112.5V260 Y268 L300 N303V260-A264 WeakPolarHBondContact O-CB 3.2Å; V260-A264 PolarHBondContact O-N 3.4Å; A264-Y268 HydrophobicContact CB-CD2 3.94Å; A264-Y268 HydrophobicContact CB-CE2 4.45Å; A264-Y268 WeakPolarHBondContact O-CB 3.23Å; A264-L300 HydrophobicContact CB-CD1 3.98Å; A264-N303 HydrophobicContact CB-CB 3.51Å; A264-N303 WeakPolarHBondContact CB-ND2 3.27Å
265S80.3Confident83.3Confident82 Ų8244.7 Ų44.757%0.57323%0.225SC*.THydrogen-bonded Turntrans-83.9-20.4170.375.20000114.1E262 T263E262-S265 WeakPolarHBondContact O-CB 3.28Å; E262-S265 PolarHBondContact O-N 2.91Å; E262-S265 PolarHBondContact O-OG 3.07Å; T263-S265 PolarHBondContact O-N 2.84Å; T263-S265 VanDerWaalsContact O-N 3.09Å
266T81.2Confident83.5Confident60 Ų6047.5 Ų47.537%0.36824%0.239SC..THydrogen-bonded Turntrans-111-30.7-171.660.70000115T221 T263T221-T266 WeakPolarHBondContact O-CB 3.24Å; T221-T266 PolarHBondContact O-OG1 3.13Å; T263-T266 PolarHBondContact O-N 2.95Å; T263-T266 PolarHBondContact O-OG1 3.44Å
267H77.3Confident83.7Confident31 Ų3155.7 Ų55.714%0.14427%0.27CS..SBendtrans-135.147.8-171.8-58.6-53.2000113.3T221 F224 T263 Q270 T271T221-H267 PolarHBondContact O-NE2 3.34Å; T221-H267 VanDerWaalsContact O-NE2 3.08Å; F224-H267 HydrophobicContact CB-CB 4.45Å; F224-H267 HydrophobicContact CD2-CB 3.97Å; F224-H267 PolarHBondContact N-NE2 3.4Å; T263-H267 PolarHBondContact O-N 3.22Å; H267-Q270 PolarHBondContact O-N 3.19Å; H267-T271 VanDerWaalsContact CB-OG1 3.29Å; H267-T271 WeakPolarHBondContact CB-OG1 3.38Å; H267-T271 VanDerWaalsContact O-CB 3.31Å; H267-T271 WeakPolarHBondContact O-CB 3.26Å; H267-T271 PolarHBondContact O-N 2.98Å; H267-T271 PolarHBondContact O-OG1 2.93Å
268Y76Confident84Confident26 Ų2655 Ų5510%0.10227%0.266CS..THydrogen-bonded Turntrans-8745.2-169.3-163.7-93000115.5A264 K272 L300 S304 A307A264-Y268 HydrophobicContact CB-CD2 3.94Å; A264-Y268 HydrophobicContact CB-CE2 4.45Å; A264-Y268 WeakPolarHBondContact O-CB 3.23Å; Y268-K272 HydrophobicContact CD2-CB 4.38Å; Y268-K272 HydrophobicContact CE1-CD 4.16Å; Y268-K272 HydrophobicContact CE2-CB 3.93Å; Y268-K272 HydrophobicContact CE2-CD 4.42Å; Y268-K272 HydrophobicContact CE2-CG 4.16Å; Y268-K272 VanDerWaalsContact OH-CD 3.28Å; Y268-K272 WeakPolarHBondContact OH-CD 3.46Å; Y268-L300 HydrophobicContact CD2-CD1 4.33Å; Y268-L300 HydrophobicContact CE2-CD1 3.75Å; Y268-L300 HydrophobicContact CE2-CG 4.04Å; Y268-L300 WeakPolarHBondContact CE2-O 3.33Å; Y268-L300 PolarHBondContact OH-O 3.43Å; Y268-S304 VanDerWaalsContact CD1-CA 3.48Å; Y268-S304 VanDerWaalsContact CZ-OG 3.3Å; Y268-S304 WeakPolarHBondContact OH-CB 3.39Å; Y268-S304 PolarHBondContact OH-OG 3.23Å; Y268-A307 HydrophobicContact CD1-CB 3.98Å; Y268-A307 HydrophobicContact CG-CB 4.22Å
269P84.3Confident84.3Confident78 Ų7850.4 Ų50.451%0.50625%0.245SC..THydrogen-bonded Turn-120-34.1125.527.7-29.6000113.2T271 K272 Q273P269-T271 PolarHBondContact O-N 3.42Å; P269-K272 WeakPolarHBondContact O-CB 3.36Å; P269-K272 PolarHBondContact O-N 3.02Å; P269-Q273 PolarHBondContact O-N 3.19Å
270Q84.8Confident84.5Confident90 Ų9054.1 Ų54.142%0.42127%0.271SS..Hα-helixtrans-69-38.6-174.8-55.388.6-13.100111.9F224 H267 K272 Q273 L274F224-Q270 HydrophobicContact CD1-CB 3.87Å; F224-Q270 HydrophobicContact CD1-CG 4.39Å; F224-Q270 HydrophobicContact CD2-CB 3.75Å; F224-Q270 HydrophobicContact CE1-CB 3.56Å; F224-Q270 HydrophobicContact CE1-CG 4.34Å; F224-Q270 HydrophobicContact CE2-CB 3.46Å; F224-Q270 VanDerWaalsContact CE2-CB 3.46Å; F224-Q270 HydrophobicContact CG-CB 3.96Å; F224-Q270 HydrophobicContact CZ-CB 3.35Å; H267-Q270 PolarHBondContact O-N 3.19Å; Q270-K272 VanDerWaalsContact C-N 3.29Å; Q270-K272 PolarHBondContact O-N 3.12Å; Q270-Q273 PolarHBondContact O-N 3.09Å; Q270-L274 PolarHBondContact O-N 2.78Å; Q270-L274 VanDerWaalsContact O-N 3.12Å
271T81.3Confident84.6Confident0 Ų056.5 Ų56.50%028%0.282CS..Hα-helixtrans-65.6-35.3177.5-50.70000111.6F231 H267 P269 L275F231-T271 HydrophobicContact CE2-CG2 4.28Å; H267-T271 VanDerWaalsContact CB-OG1 3.29Å; H267-T271 WeakPolarHBondContact CB-OG1 3.38Å; H267-T271 VanDerWaalsContact O-CB 3.31Å; H267-T271 WeakPolarHBondContact O-CB 3.26Å; H267-T271 PolarHBondContact O-N 2.98Å; H267-T271 PolarHBondContact O-OG1 2.93Å; P269-T271 PolarHBondContact O-N 3.42Å; T271-L275 HydrophobicContact CG2-CD1 3.71Å; T271-L275 HydrophobicContact CG2-CG 4.18Å; T271-L275 VanDerWaalsContact O-CB 3.29Å; T271-L275 WeakPolarHBondContact O-CB 3.32Å; T271-L275 VanDerWaalsContact O-CG 3.26Å; T271-L275 WeakPolarHBondContact O-CG 3.45Å; T271-L275 PolarHBondContact O-N 3Å
272K84.8Confident84.9Confident72 Ų7250.8 Ų50.831%0.31326%0.257SS..Hα-helixtrans-63.8-52.7177.6-172.8-164178.2173.20111.1Y268 P269 Q270 L274 L275 E276 L300Y268-K272 HydrophobicContact CD2-CB 4.38Å; Y268-K272 HydrophobicContact CE1-CD 4.16Å; Y268-K272 HydrophobicContact CE2-CB 3.93Å; Y268-K272 HydrophobicContact CE2-CD 4.42Å; Y268-K272 HydrophobicContact CE2-CG 4.16Å; Y268-K272 VanDerWaalsContact OH-CD 3.28Å; Y268-K272 WeakPolarHBondContact OH-CD 3.46Å; P269-K272 WeakPolarHBondContact O-CB 3.36Å; P269-K272 PolarHBondContact O-N 3.02Å; Q270-K272 VanDerWaalsContact C-N 3.29Å; Q270-K272 PolarHBondContact O-N 3.12Å; K272-L274 VanDerWaalsContact C-N 3.3Å; K272-L274 PolarHBondContact O-N 2.82Å; K272-L275 PolarHBondContact O-N 2.77Å; K272-E276 WeakPolarHBondContact CE-OE1 3.46Å; K272-E276 HydrophobicContact CG-CG 4.38Å; K272-E276 IonicContact NZ-OE1 3.24Å; K272-E276 WeakPolarHBondContact O-CB 3.34Å; K272-E276 WeakPolarHBondContact O-CG 3.39Å; K272-E276 PolarHBondContact O-N 3.48Å; K272-L300 HydrophobicContact CB-CD1 4.47Å; K272-L300 HydrophobicContact CG-CD2 4.01Å; K272-L300 HydrophobicContact CG-CG 4.24Å
273Q88.7Confident85.1Confident139 Ų13952.5 Ų52.565%0.6527%0.265SS*.Hα-helixtrans-59.8-41.8-179.6-70.3178.7-11.300111.9P269 Q270 R277P269-Q273 PolarHBondContact O-N 3.19Å; Q270-Q273 PolarHBondContact O-N 3.09Å; Q273-R277 PolarHBondContact O-N 3.08Å
274L88Confident85.4Confident36 Ų3656.5 Ų56.519%0.18829%0.293CS..Hα-helixtrans-63-50.6176.2179.267.7000111.9F224 A228 F231 Q270 K272 E276 R277 L278F224-L274 HydrophobicContact CZ-CB 4.44Å; F224-L274 HydrophobicContact CZ-CD2 4.36Å; A228-L274 VanDerWaalsContact CA-CD2 3.49Å; A228-L274 HydrophobicContact CB-CD2 3.61Å; F231-L274 HydrophobicContact CB-CD2 4.23Å; F231-L274 HydrophobicContact CD2-CD2 4.44Å; Q270-L274 PolarHBondContact O-N 2.78Å; Q270-L274 VanDerWaalsContact O-N 3.12Å; K272-L274 VanDerWaalsContact C-N 3.3Å; K272-L274 PolarHBondContact O-N 2.82Å; L274-E276 PolarHBondContact O-N 2.97Å; L274-R277 WeakPolarHBondContact O-CB 3.15Å; L274-R277 PolarHBondContact O-N 2.93Å; L274-L278 HydrophobicContact CD1-CD1 4.49Å; L274-L278 HydrophobicContact CG-CD1 4.23Å; L274-L278 WeakPolarHBondContact O-CG 3.46Å; L274-L278 PolarHBondContact O-N 3.41Å
275L87.9Confident85.8Confident0 Ų060.9 Ų60.90%031%0.313CS..Hα-helixtrans-67.5-35.4-177.9-73.7175.7000112.3F231 V260 T271 K272 R277 L278 F279 L300F231-L275 HydrophobicContact CD1-CD2 3.73Å; F231-L275 HydrophobicContact CD2-CD2 4.19Å; F231-L275 HydrophobicContact CE1-CD2 3.64Å; F231-L275 HydrophobicContact CE2-CD1 4.48Å; F231-L275 HydrophobicContact CE2-CD2 4.08Å; F231-L275 HydrophobicContact CE2-CG 4.49Å; F231-L275 HydrophobicContact CG-CD2 4.03Å; F231-L275 HydrophobicContact CZ-CD1 4.29Å; F231-L275 HydrophobicContact CZ-CD2 3.82Å; F231-L275 HydrophobicContact CZ-CG 4.49Å; V260-L275 HydrophobicContact CB-CD1 4.4Å; V260-L275 HydrophobicContact CG1-CD1 4.04Å; V260-L275 HydrophobicContact CG2-CD1 3.78Å; V260-L275 HydrophobicContact CG2-CD2 4.18Å; T271-L275 HydrophobicContact CG2-CD1 3.71Å; T271-L275 HydrophobicContact CG2-CG 4.18Å; T271-L275 VanDerWaalsContact O-CB 3.29Å; T271-L275 WeakPolarHBondContact O-CB 3.32Å; T271-L275 VanDerWaalsContact O-CG 3.26Å; T271-L275 WeakPolarHBondContact O-CG 3.45Å; T271-L275 PolarHBondContact O-N 3Å; K272-L275 PolarHBondContact O-N 2.77Å; L275-R277 VanDerWaalsContact C-N 3.32Å; L275-R277 PolarHBondContact O-N 3.35Å; L275-L278 HydrophobicContact CD2-CD1 4.45Å; L275-L278 PolarHBondContact O-N 3.29Å; L275-F279 HydrophobicContact CB-CE1 4.27Å; L275-F279 HydrophobicContact CB-CE2 4.19Å; L275-F279 HydrophobicContact CB-CZ 3.96Å; L275-F279 HydrophobicContact CD1-CZ 4.46Å; L275-F279 HydrophobicContact CD2-CE1 4.15Å; L275-F279 HydrophobicContact CD2-CZ 4.33Å; L275-F279 HydrophobicContact CG-CZ 4.5Å; L275-F279 WeakPolarHBondContact O-CB 3.42Å; L275-F279 VanDerWaalsContact O-CD1 3.24Å; L275-F279 WeakPolarHBondContact O-CD1 3.48Å; L275-F279 WeakPolarHBondContact O-CD2 3.46Å; L275-F279 WeakPolarHBondContact O-CG 3.34Å; L275-F279 PolarHBondContact O-N 3.47Å; L275-L300 HydrophobicContact CB-CD2 4.04Å; L275-L300 HydrophobicContact CD1-CD1 3.69Å
276E89.7Confident86Confident91 Ų9164.6 Ų64.643%0.42532%0.321SS..Hα-helixtrans-62.6-40.7174.5-76.7177.7162.300111.5K272 L274 F279 C280 L300K272-E276 WeakPolarHBondContact CE-OE1 3.46Å; K272-E276 HydrophobicContact CG-CG 4.38Å; K272-E276 IonicContact NZ-OE1 3.24Å; K272-E276 WeakPolarHBondContact O-CB 3.34Å; K272-E276 WeakPolarHBondContact O-CG 3.39Å; K272-E276 PolarHBondContact O-N 3.48Å; L274-E276 PolarHBondContact O-N 2.97Å; E276-F279 PolarHBondContact O-N 2.94Å; E276-C280 PolarHBondContact O-N 2.84Å; E276-C280 PolarHBondContact O-SG 2.83Å; E276-C280 VanDerWaalsContact O-SG 3.34Å; E276-L300 HydrophobicContact CG-CD2 4.22Å
277R91.2Very high86.1Confident173 Ų17362.4 Ų62.465%0.65331%0.307SS*.Hα-helixtrans-61.9-50.8173-178.6179.6173.2169.21.9111.7Q273 L274 L275 F279 C280 E281Q273-R277 PolarHBondContact O-N 3.08Å; L274-R277 WeakPolarHBondContact O-CB 3.15Å; L274-R277 PolarHBondContact O-N 2.93Å; L275-R277 VanDerWaalsContact C-N 3.32Å; L275-R277 PolarHBondContact O-N 3.35Å; R277-F279 VanDerWaalsContact C-N 3.28Å; R277-F279 PolarHBondContact O-N 3.32Å; R277-C280 WeakPolarHBondContact O-CB 3.43Å; R277-C280 PolarHBondContact O-N 2.67Å; R277-E281 IonicContact NE-OE1 3.37Å; R277-E281 PolarHBondContact NE-OE1 3.12Å; R277-E281 PolarHBondContact O-N 3.13Å; R277-E281 VanDerWaalsContact O-N 3.14Å
278L89.6Confident86.5Confident9 Ų961.4 Ų61.45%0.04730%0.303CS..Hα-helixtrans-61.1-38.3177.9-69.8176.8000111.9F231 D235 L274 L275 C280 E281 W282F231-L278 HydrophobicContact CB-CD1 3.79Å; D235-L278 HydrophobicContact CB-CD2 3.89Å; L274-L278 HydrophobicContact CD1-CD1 4.49Å; L274-L278 HydrophobicContact CG-CD1 4.23Å; L274-L278 WeakPolarHBondContact O-CG 3.46Å; L274-L278 PolarHBondContact O-N 3.41Å; L275-L278 HydrophobicContact CD2-CD1 4.45Å; L275-L278 PolarHBondContact O-N 3.29Å; L278-C280 VanDerWaalsContact C-N 3.33Å; L278-C280 PolarHBondContact O-N 3.17Å; L278-E281 PolarHBondContact O-N 3.27Å; L278-W282 HydrophobicContact CB-CD2 4.42Å; L278-W282 HydrophobicContact CB-CH2 4.38Å; L278-W282 HydrophobicContact CB-CZ2 4.01Å; L278-W282 HydrophobicContact CD1-CH2 4.49Å; L278-W282 HydrophobicContact CD1-CZ2 4.15Å; L278-W282 HydrophobicContact CG-CZ2 4.5Å; L278-W282 WeakPolarHBondContact O-CB 3.36Å; L278-W282 PolarHBondContact O-N 3.47Å
279F89Confident86.8Confident2 Ų262.2 Ų62.21%0.00931%0.312CS..Hα-helixtrans-65.4-36.8177.6-70.3-7.9000112.2V260 L275 E276 R277 W282 Q283 M293 L296 R297 L300V260-F279 HydrophobicContact CG2-CZ 4.48Å; L275-F279 HydrophobicContact CB-CE1 4.27Å; L275-F279 HydrophobicContact CB-CE2 4.19Å; L275-F279 HydrophobicContact CB-CZ 3.96Å; L275-F279 HydrophobicContact CD1-CZ 4.46Å; L275-F279 HydrophobicContact CD2-CE1 4.15Å; L275-F279 HydrophobicContact CD2-CZ 4.33Å; L275-F279 HydrophobicContact CG-CZ 4.5Å; L275-F279 WeakPolarHBondContact O-CB 3.42Å; L275-F279 VanDerWaalsContact O-CD1 3.24Å; L275-F279 WeakPolarHBondContact O-CD1 3.48Å; L275-F279 WeakPolarHBondContact O-CD2 3.46Å; L275-F279 WeakPolarHBondContact O-CG 3.34Å; L275-F279 PolarHBondContact O-N 3.47Å; E276-F279 PolarHBondContact O-N 2.94Å; R277-F279 VanDerWaalsContact C-N 3.28Å; R277-F279 PolarHBondContact O-N 3.32Å; F279-W282 AromaticContact CD1-CE3 3.66Å; F279-W282 HydrophobicContact CD1-CE3 3.66Å; F279-W282 AromaticContact CD1-CZ3 3.73Å; F279-W282 HydrophobicContact CD1-CZ3 3.73Å; F279-W282 HydrophobicContact CE1-CE3 4.07Å; F279-W282 AromaticContact CE1-CZ3 3.66Å; F279-W282 HydrophobicContact CE1-CZ3 3.66Å; F279-Q283 WeakPolarHBondContact O-CB 3.29Å; F279-Q283 PolarHBondContact O-N 2.7Å; F279-M293 HydrophobicContact CB-CE 3.58Å; F279-M293 HydrophobicContact CD1-CE 4.22Å; F279-M293 HydrophobicContact CG-CE 3.96Å; F279-M293 WeakPolarHBondContact O-CE 3.32Å; F279-L296 HydrophobicContact CE1-CB 3.93Å; F279-L296 HydrophobicContact CE1-CD1 3.94Å; F279-L296 HydrophobicContact CE2-CB 4.19Å; F279-L296 HydrophobicContact CZ-CB 3.55Å; F279-L296 HydrophobicContact CZ-CD1 4.41Å; F279-R297 HydrophobicContact CD2-CG 3.75Å; F279-R297 HydrophobicContact CE2-CG 3.97Å; F279-L300 HydrophobicContact CE2-CD2 3.91Å
280C87.8Confident86.6Confident79 Ų7963.8 Ų63.853%0.53432%0.317SS..Hα-helixtrans-63.1-45.8172.6-71.60000111E276 R277 L278 Q283 S284E276-C280 PolarHBondContact O-N 2.84Å; E276-C280 PolarHBondContact O-SG 2.83Å; E276-C280 VanDerWaalsContact O-SG 3.34Å; R277-C280 WeakPolarHBondContact O-CB 3.43Å; R277-C280 PolarHBondContact O-N 2.67Å; L278-C280 VanDerWaalsContact C-N 3.33Å; L278-C280 PolarHBondContact O-N 3.17Å; C280-Q283 PolarHBondContact O-N 2.86Å; C280-S284 PolarHBondContact O-N 2.75Å; C280-S284 PolarHBondContact O-OG 3.38Å; C280-S284 VanDerWaalsContact O-OG 3.13Å
281E89.2Confident86.2Confident49 Ų4968.5 Ų68.523%0.22933%0.33CS..Hα-helixtrans-62.5-48.5178.1-67178.3-157.600111.7K239 R277 L278 Q283 S284 E285K239-E281 IonicContact NZ-OE2 2.82Å; K239-E281 PolarHBondContact NZ-OE2 3.43Å; K239-E281 VanDerWaalsContact NZ-OE2 3.09Å; R277-E281 IonicContact NE-OE1 3.37Å; R277-E281 PolarHBondContact NE-OE1 3.12Å; R277-E281 PolarHBondContact O-N 3.13Å; R277-E281 VanDerWaalsContact O-N 3.14Å; L278-E281 PolarHBondContact O-N 3.27Å; E281-Q283 VanDerWaalsContact C-N 3.28Å; E281-Q283 PolarHBondContact O-N 3.48Å; E281-S284 WeakPolarHBondContact CA-OG 3.39Å; E281-S284 PolarHBondContact O-N 3.49Å; E281-S284 PolarHBondContact O-OG 3.36Å; E281-E285 WeakPolarHBondContact O-CB 3.27Å; E281-E285 PolarHBondContact O-N 3.24Å
282W89.5Confident86.1Confident0 Ų068.6 Ų68.60%033%0.331CS..Hα-helixtrans-64.3-32.7178.7-62.3-10.9000112.9D235 L238 L256 L278 F279 H286 L287 L288 M293 L296D235-W282 HydrophobicContact CB-CZ2 4.34Å; D235-W282 PolarHBondContact OD1-NE1 3.03Å; L238-W282 HydrophobicContact CD1-CD2 3.94Å; L238-W282 HydrophobicContact CD1-CG 4.24Å; L238-W282 HydrophobicContact CD1-CZ2 4.02Å; L256-W282 HydrophobicContact CD1-CH2 4.2Å; L256-W282 HydrophobicContact CD1-CZ3 4.18Å; L256-W282 HydrophobicContact CD2-CH2 3.82Å; L256-W282 HydrophobicContact CD2-CZ3 4.36Å; L278-W282 HydrophobicContact CB-CD2 4.42Å; L278-W282 HydrophobicContact CB-CH2 4.38Å; L278-W282 HydrophobicContact CB-CZ2 4.01Å; L278-W282 HydrophobicContact CD1-CH2 4.49Å; L278-W282 HydrophobicContact CD1-CZ2 4.15Å; L278-W282 HydrophobicContact CG-CZ2 4.5Å; L278-W282 WeakPolarHBondContact O-CB 3.36Å; L278-W282 PolarHBondContact O-N 3.47Å; F279-W282 AromaticContact CD1-CE3 3.66Å; F279-W282 HydrophobicContact CD1-CE3 3.66Å; F279-W282 AromaticContact CD1-CZ3 3.73Å; F279-W282 HydrophobicContact CD1-CZ3 3.73Å; F279-W282 HydrophobicContact CE1-CE3 4.07Å; F279-W282 AromaticContact CE1-CZ3 3.66Å; F279-W282 HydrophobicContact CE1-CZ3 3.66Å; W282-H286 PolarHBondContact O-N 3.15Å; W282-L287 HydrophobicContact CB-CB 4.44Å; W282-L287 PolarHBondContact O-N 3.25Å; W282-L288 HydrophobicContact CD2-CD1 4.04Å; W282-L288 HydrophobicContact CE3-CD1 3.36Å; W282-L288 HydrophobicContact CE3-CG 4.43Å; W282-L288 HydrophobicContact CZ3-CD1 3.85Å; W282-M293 HydrophobicContact CB-SD 4.16Å; W282-M293 HydrophobicContact CE3-SD 4.38Å; W282-L296 HydrophobicContact CZ3-CD1 4.17Å
283Q86.1Confident86.2Confident84 Ų8465.5 Ų65.539%0.39332%0.318SS..Hα-helixtrans-71.8-42.2175-171.2171.65.200111.5F279 C280 E281 H286 M293F279-Q283 WeakPolarHBondContact O-CB 3.29Å; F279-Q283 PolarHBondContact O-N 2.7Å; C280-Q283 PolarHBondContact O-N 2.86Å; E281-Q283 VanDerWaalsContact C-N 3.28Å; E281-Q283 PolarHBondContact O-N 3.48Å; Q283-H286 PolarHBondContact O-N 3.03Å; Q283-M293 HydrophobicContact CB-CE 4.18Å
284S87.7Confident85.9Confident85 Ų8563.4 Ų63.459%0.59431%0.308SS*.Hα-helixtrans-69.1-32.7178.453.40000113.1C280 E281C280-S284 PolarHBondContact O-N 2.75Å; C280-S284 PolarHBondContact O-OG 3.38Å; C280-S284 VanDerWaalsContact O-OG 3.13Å; E281-S284 WeakPolarHBondContact CA-OG 3.39Å; E281-S284 PolarHBondContact O-N 3.49Å; E281-S284 PolarHBondContact O-OG 3.36Å
285E88.1Confident85.6Confident93 Ų9365.3 Ų65.344%0.43532%0.317SS..THydrogen-bonded Turntrans-92.32.4-179.6-67.4-179.4-161.200112.9K239 E281 L287K239-E285 WeakPolarHBondContact CE-OE1 3.4Å; K239-E285 VanDerWaalsContact CE-OE2 3.23Å; K239-E285 WeakPolarHBondContact CE-OE2 3.04Å; E281-E285 WeakPolarHBondContact O-CB 3.27Å; E281-E285 PolarHBondContact O-N 3.24Å; E285-L287 HydrophobicContact CB-CD1 4.04Å; E285-L287 HydrophobicContact CB-CD2 4.16Å; E285-L287 HydrophobicContact CB-CG 3.69Å; E285-L287 PolarHBondContact O-N 3.41Å; E285-L287 WeakPolarHBondContact OE2-CD1 3.34Å
286H84Confident85.5Confident159 Ų15965.3 Ų65.374%0.73632%0.317SS*.THydrogen-bonded Turntrans53.431.6-177.3-61.1-65.4000114.7W282 Q283 L288W282-H286 PolarHBondContact O-N 3.15Å; Q283-H286 PolarHBondContact O-N 3.03Å; H286-L288 VanDerWaalsContact C-N 3.34Å; H286-L288 PolarHBondContact O-N 2.95Å
287L83.9Confident85.3Confident15 Ų1565.8 Ų65.88%0.07932%0.315CS..  trans-74.9-22.5-174.8-60.3177.6000113.6L238 K239 A242 Q249 W282 E285L238-L287 HydrophobicContact CB-CB 4.22Å; L238-L287 HydrophobicContact CB-CD1 3.84Å; L238-L287 HydrophobicContact CB-CG 4.48Å; L238-L287 HydrophobicContact CD1-CB 4.46Å; K239-L287 HydrophobicContact CG-CD1 3.92Å; A242-L287 HydrophobicContact CB-CD2 4.03Å; Q249-L287 WeakPolarHBondContact CG-O 3.42Å; Q249-L287 PolarHBondContact NE2-O 2.76Å; W282-L287 HydrophobicContact CB-CB 4.44Å; W282-L287 PolarHBondContact O-N 3.25Å; E285-L287 HydrophobicContact CB-CD1 4.04Å; E285-L287 HydrophobicContact CB-CD2 4.16Å; E285-L287 HydrophobicContact CB-CG 3.69Å; E285-L287 PolarHBondContact O-N 3.41Å; E285-L287 WeakPolarHBondContact OE2-CD1 3.34Å
288L85.1Confident84.9Confident9 Ų961 Ų615%0.04730%0.297CS..SBendtrans-127.4151.3179.8-68.1-178.9000111L238 Q249 E253 L256 W282 H286 T292 M293 L296L238-L288 HydrophobicContact CD1-CD1 4.38Å; L238-L288 HydrophobicContact CD1-CD2 4.2Å; L238-L288 HydrophobicContact CD1-CG 4.17Å; L238-L288 HydrophobicContact CD2-CD2 3.94Å; Q249-L288 HydrophobicContact CG-CD2 4.25Å; Q249-L288 VanDerWaalsContact NE2-CA 3.29Å; E253-L288 HydrophobicContact CG-CD2 4.3Å; L256-L288 HydrophobicContact CD1-CD1 4.07Å; L256-L288 HydrophobicContact CD1-CD2 4.31Å; W282-L288 HydrophobicContact CD2-CD1 4.04Å; W282-L288 HydrophobicContact CE3-CD1 3.36Å; W282-L288 HydrophobicContact CE3-CG 4.43Å; W282-L288 HydrophobicContact CZ3-CD1 3.85Å; H286-L288 VanDerWaalsContact C-N 3.34Å; H286-L288 PolarHBondContact O-N 2.95Å; L288-T292 HydrophobicContact CD1-CG2 4.42Å; L288-M293 HydrophobicContact CB-CG 3.89Å; L288-M293 HydrophobicContact CB-SD 3.84Å; L288-M293 HydrophobicContact CD1-SD 3.81Å; L288-M293 HydrophobicContact CG-SD 4.41Å; L288-L296 HydrophobicContact CD1-CD1 3.81Å
289S82.5Confident84.6Confident43 Ų4362.3 Ų62.330%0.30130%0.303SS..  trans-66.3147.5175.669.70000110.4Q249 E253 R291 T292 M293Q249-S289 VanDerWaalsContact NE2-N 3.18Å; E253-S289 PolarHBondContact OE1-OG 3.49Å; S289-R291 PolarHBondContact O-N 3.08Å; S289-R291 VanDerWaalsContact O-N 3.15Å; S289-T292 PolarHBondContact O-N 3.35Å; S289-T292 WeakPolarHBondContact OG-CB 3.27Å; S289-T292 PolarHBondContact OG-N 3.03Å; S289-T292 PolarHBondContact OG-OG1 3.39Å; S289-M293 WeakPolarHBondContact O-CG 3.32Å; S289-M293 PolarHBondContact O-N 3.46Å
290N78.9Confident84.3Confident112 Ų11262.5 Ų62.560%0.59930%0.304SS*.Hα-helixtrans-54-36.8176-83.4-23.4000112M293 Q294N290-M293 PolarHBondContact O-N 3.34Å; N290-Q294 WeakPolarHBondContact O-CB 3.18Å; N290-Q294 VanDerWaalsContact O-CG 3.26Å; N290-Q294 WeakPolarHBondContact O-CG 3.47Å; N290-Q294 PolarHBondContact O-N 3.26Å
291R77.7Confident84Confident188 Ų18862 Ų6271%0.70930%0.299SS*.Hα-helixtrans-62-47.8176.4-176.6178.9179.2-1770.2111.6S289 Q294 M295S289-R291 PolarHBondContact O-N 3.08Å; S289-R291 VanDerWaalsContact O-N 3.15Å; R291-Q294 PolarHBondContact O-N 3.1Å; R291-M295 WeakPolarHBondContact O-CG 3.34Å; R291-M295 PolarHBondContact O-N 3.47Å
292T79.6Confident83.5Confident3 Ų362 Ų622%0.01830%0.3CS..Hα-helixtrans-65.9-42.7178.7-64.40000111.2E253 L288 S289 Q294 M295 L296E253-T292 HydrophobicContact CB-CG2 3.8Å; E253-T292 HydrophobicContact CG-CG2 3.77Å; E253-T292 WeakPolarHBondContact OE1-CB 3.48Å; E253-T292 PolarHBondContact OE1-OG1 3.45Å; E253-T292 PolarHBondContact OE2-OG1 3.13Å; E253-T292 VanDerWaalsContact OE2-OG1 3.07Å; L288-T292 HydrophobicContact CD1-CG2 4.42Å; S289-T292 PolarHBondContact O-N 3.35Å; S289-T292 WeakPolarHBondContact OG-CB 3.27Å; S289-T292 PolarHBondContact OG-N 3.03Å; S289-T292 PolarHBondContact OG-OG1 3.39Å; T292-Q294 VanDerWaalsContact C-N 3.29Å; T292-Q294 PolarHBondContact O-N 2.84Å; T292-M295 PolarHBondContact O-N 2.9Å; T292-M295 VanDerWaalsContact O-N 3.11Å; T292-L296 HydrophobicContact CG2-CD1 4.07Å; T292-L296 HydrophobicContact CG2-CG 4.21Å; T292-L296 VanDerWaalsContact O-CG 3.3Å; T292-L296 WeakPolarHBondContact O-CG 3.37Å; T292-L296 PolarHBondContact O-N 2.97Å
293M85.7Confident82.9Confident7 Ų762.2 Ų62.23%0.03430%0.301CS..Hα-helixtrans-55.4-44.5173.2-72-60.6-61.300112.2F279 W282 Q283 L288 S289 N290 L296 R297F279-M293 HydrophobicContact CB-CE 3.58Å; F279-M293 HydrophobicContact CD1-CE 4.22Å; F279-M293 HydrophobicContact CG-CE 3.96Å; F279-M293 WeakPolarHBondContact O-CE 3.32Å; W282-M293 HydrophobicContact CB-SD 4.16Å; W282-M293 HydrophobicContact CE3-SD 4.38Å; Q283-M293 HydrophobicContact CB-CE 4.18Å; L288-M293 HydrophobicContact CB-CG 3.89Å; L288-M293 HydrophobicContact CB-SD 3.84Å; L288-M293 HydrophobicContact CD1-SD 3.81Å; L288-M293 HydrophobicContact CG-SD 4.41Å; S289-M293 WeakPolarHBondContact O-CG 3.32Å; S289-M293 PolarHBondContact O-N 3.46Å; N290-M293 PolarHBondContact O-N 3.34Å; M293-L296 PolarHBondContact O-N 2.99Å; M293-R297 WeakPolarHBondContact O-CB 3.43Å; M293-R297 WeakPolarHBondContact O-CG 3.36Å; M293-R297 PolarHBondContact O-N 3.47Å
294Q82.9Confident82.3Confident95 Ų9558.8 Ų58.844%0.44429%0.287SS..Hα-helixtrans-64.9-41.6175.5-74.2174.3-4.500112.4N290 R291 T292 R297 Y298N290-Q294 WeakPolarHBondContact O-CB 3.18Å; N290-Q294 VanDerWaalsContact O-CG 3.26Å; N290-Q294 WeakPolarHBondContact O-CG 3.47Å; N290-Q294 PolarHBondContact O-N 3.26Å; R291-Q294 PolarHBondContact O-N 3.1Å; T292-Q294 VanDerWaalsContact C-N 3.29Å; T292-Q294 PolarHBondContact O-N 2.84Å; Q294-R297 PolarHBondContact O-N 2.69Å; Q294-Y298 WeakPolarHBondContact O-CB 3.09Å; Q294-Y298 PolarHBondContact O-N 2.97Å
295M80.5Confident80.9Confident75 Ų7557.6 Ų57.637%0.36927%0.271SS..Hα-helixtrans-64.3-43.2176.2-71.5-153.9-5200112.3R291 T292 Y298 H299R291-M295 WeakPolarHBondContact O-CG 3.34Å; R291-M295 PolarHBondContact O-N 3.47Å; T292-M295 PolarHBondContact O-N 2.9Å; T292-M295 VanDerWaalsContact O-N 3.11Å; M295-Y298 WeakPolarHBondContact O-CB 3.35Å; M295-Y298 PolarHBondContact O-N 3.04Å; M295-H299 PolarHBondContact O-CD2 3.46Å; M295-H299 PolarHBondContact O-N 2.94Å
296L86.1Confident80.1Confident0 Ų060.5 Ų60.50%028%0.278CS..Hα-helixtrans-62.9-44.6177.7-67.2177.2000111.1L256 V260 F279 W282 L288 T292 M293 H299 L300L256-L296 HydrophobicContact CB-CD1 4.45Å; L256-L296 HydrophobicContact CB-CD2 4.12Å; V260-L296 HydrophobicContact CB-CD2 4.29Å; V260-L296 HydrophobicContact CG2-CD2 3.93Å; F279-L296 HydrophobicContact CE1-CB 3.93Å; F279-L296 HydrophobicContact CE1-CD1 3.94Å; F279-L296 HydrophobicContact CE2-CB 4.19Å; F279-L296 HydrophobicContact CZ-CB 3.55Å; F279-L296 HydrophobicContact CZ-CD1 4.41Å; W282-L296 HydrophobicContact CZ3-CD1 4.17Å; L288-L296 HydrophobicContact CD1-CD1 3.81Å; T292-L296 HydrophobicContact CG2-CD1 4.07Å; T292-L296 HydrophobicContact CG2-CG 4.21Å; T292-L296 VanDerWaalsContact O-CG 3.3Å; T292-L296 WeakPolarHBondContact O-CG 3.37Å; T292-L296 PolarHBondContact O-N 2.97Å; M293-L296 PolarHBondContact O-N 2.99Å; L296-H299 PolarHBondContact O-N 3.38Å; L296-L300 WeakPolarHBondContact O-CB 3.45Å; L296-L300 PolarHBondContact O-N 3.31Å
297R86Confident79.5Confident102 Ų10254.2 Ų54.239%0.38525%0.253SS..Hα-helixtrans-60.3-45.4172.8-74.8-177.4-179.2174.86.1111.7F279 M293 Q294 H299 L300 T301F279-R297 HydrophobicContact CD2-CG 3.75Å; F279-R297 HydrophobicContact CE2-CG 3.97Å; M293-R297 WeakPolarHBondContact O-CB 3.43Å; M293-R297 WeakPolarHBondContact O-CG 3.36Å; M293-R297 PolarHBondContact O-N 3.47Å; Q294-R297 PolarHBondContact O-N 2.69Å; R297-H299 VanDerWaalsContact C-N 3.34Å; R297-H299 PolarHBondContact O-N 2.92Å; R297-L300 WeakPolarHBondContact O-CB 3.45Å; R297-L300 PolarHBondContact O-N 3.35Å; R297-T301 WeakPolarHBondContact O-CB 3.37Å; R297-T301 PolarHBondContact O-N 3.3Å; R297-T301 PolarHBondContact O-OG1 3.44Å
298Y83.5Confident78.7Confident72 Ų7258.1 Ų58.128%0.28227%0.274SS..Hα-helixtrans-56.6-47176.4172.3-102.8000111.9Q294 M295 L300 T301 L302 F333Q294-Y298 WeakPolarHBondContact O-CB 3.09Å; Q294-Y298 PolarHBondContact O-N 2.97Å; M295-Y298 WeakPolarHBondContact O-CB 3.35Å; M295-Y298 PolarHBondContact O-N 3.04Å; Y298-L300 PolarHBondContact O-N 3.5Å; Y298-T301 PolarHBondContact O-N 2.87Å; Y298-L302 HydrophobicContact CE2-CD1 4.33Å; Y298-L302 WeakPolarHBondContact O-CB 2.91Å; Y298-L302 PolarHBondContact O-N 3.32Å; Y298-F333 AromaticContact CD2-CD1 3.65Å; Y298-F333 HydrophobicContact CD2-CD1 3.65Å; Y298-F333 AromaticContact CD2-CE1 3.19Å; Y298-F333 HydrophobicContact CD2-CE1 3.19Å; Y298-F333 AromaticContact CD2-CZ 3.88Å; Y298-F333 HydrophobicContact CD2-CZ 3.88Å; Y298-F333 AromaticContact CE2-CD1 3.97Å; Y298-F333 HydrophobicContact CE2-CD1 3.97Å; Y298-F333 AromaticContact CE2-CE1 3.8Å; Y298-F333 HydrophobicContact CE2-CE1 3.8Å; Y298-F333 AromaticContact CG-CE1 3.93Å; Y298-F333 HydrophobicContact CG-CE1 3.93Å; Y298-F333 HydrophobicContact CG-CZ 4.26Å
299H82.2Confident77.6Confident37 Ų3761.9 Ų61.917%0.17130%0.301CS..Hα-helixtrans-65.4-38178.3-75.8-56.5000112.8V260 M295 L296 R297 N303V260-H299 HydrophobicContact CG1-CB 4.16Å; M295-H299 PolarHBondContact O-CD2 3.46Å; M295-H299 PolarHBondContact O-N 2.94Å; L296-H299 PolarHBondContact O-N 3.38Å; R297-H299 VanDerWaalsContact C-N 3.34Å; R297-H299 PolarHBondContact O-N 2.92Å; H299-N303 WeakPolarHBondContact O-CB 3.33Å; H299-N303 PolarHBondContact O-N 3.18Å; H299-N303 VanDerWaalsContact O-N 3.12Å; H299-N303 PolarHBondContact O-ND2 3.36Å
300L82.6Confident76.6Confident5 Ų565.2 Ų65.23%0.02632%0.32CS..Hα-helixtrans-62.8-46.6174.1-166.864.1000110.9V260 A264 Y268 K272 L275 E276 F279 L296 R297 Y298 N303 S304V260-L300 HydrophobicContact CG1-CB 4.36Å; V260-L300 HydrophobicContact CG1-CD1 4.46Å; A264-L300 HydrophobicContact CB-CD1 3.98Å; Y268-L300 HydrophobicContact CD2-CD1 4.33Å; Y268-L300 HydrophobicContact CE2-CD1 3.75Å; Y268-L300 HydrophobicContact CE2-CG 4.04Å; Y268-L300 WeakPolarHBondContact CE2-O 3.33Å; Y268-L300 PolarHBondContact OH-O 3.43Å; K272-L300 HydrophobicContact CB-CD1 4.47Å; K272-L300 HydrophobicContact CG-CD2 4.01Å; K272-L300 HydrophobicContact CG-CG 4.24Å; L275-L300 HydrophobicContact CB-CD2 4.04Å; L275-L300 HydrophobicContact CD1-CD1 3.69Å; E276-L300 HydrophobicContact CG-CD2 4.22Å; F279-L300 HydrophobicContact CE2-CD2 3.91Å; L296-L300 WeakPolarHBondContact O-CB 3.45Å; L296-L300 PolarHBondContact O-N 3.31Å; R297-L300 WeakPolarHBondContact O-CB 3.45Å; R297-L300 PolarHBondContact O-N 3.35Å; Y298-L300 PolarHBondContact O-N 3.5Å; L300-N303 PolarHBondContact O-N 3.23Å; L300-S304 PolarHBondContact O-N 3.09Å; L300-S304 VanDerWaalsContact O-N 3.09Å; L300-S304 PolarHBondContact O-OG 3.24Å
301T81.8Confident75.5Confident68 Ų6864.9 Ų64.942%0.41732%0.322SS..Hα-helixtrans-65.3-42.6178.2-53.80000112.1R297 Y298 N303 S304 F305R297-T301 WeakPolarHBondContact O-CB 3.37Å; R297-T301 PolarHBondContact O-N 3.3Å; R297-T301 PolarHBondContact O-OG1 3.44Å; Y298-T301 PolarHBondContact O-N 2.87Å; T301-N303 VanDerWaalsContact C-N 3.26Å; T301-N303 PolarHBondContact O-N 3.26Å; T301-S304 VanDerWaalsContact C-OG 3.24Å; T301-S304 VanDerWaalsContact CA-OG 3.24Å; T301-S304 WeakPolarHBondContact CA-OG 3.47Å; T301-S304 WeakPolarHBondContact O-CB 3.4Å; T301-S304 PolarHBondContact O-N 3.3Å; T301-S304 PolarHBondContact O-OG 3.05Å; T301-F305 HydrophobicContact CG2-CD2 4.3Å; T301-F305 HydrophobicContact CG2-CE2 3.61Å; T301-F305 HydrophobicContact CG2-CZ 4.23Å; T301-F305 WeakPolarHBondContact O-CD2 3.04Å; T301-F305 PolarHBondContact O-N 2.63Å
302L79.1Confident74.1Confident50 Ų5060.1 Ų60.126%0.26232%0.323SS..Hα-helixtrans-59.2-39.9177.3-164.188.1000111.6Y298 F305 R306Y298-L302 HydrophobicContact CE2-CD1 4.33Å; Y298-L302 WeakPolarHBondContact O-CB 2.91Å; Y298-L302 PolarHBondContact O-N 3.32Å; L302-F305 PolarHBondContact O-N 2.68Å; L302-R306 PolarHBondContact O-N 3.37Å
303N76Confident72.6Confident5 Ų563.1 Ų63.13%0.02736%0.355CS..Hα-helixtrans-76.2-28180-79.1-28.5000113K261 A264 H299 L300 T301 F305 R306 A307K261-N303 PolarHBondContact O-ND2 2.97Å; A264-N303 HydrophobicContact CB-CB 3.51Å; A264-N303 WeakPolarHBondContact CB-ND2 3.27Å; H299-N303 WeakPolarHBondContact O-CB 3.33Å; H299-N303 PolarHBondContact O-N 3.18Å; H299-N303 VanDerWaalsContact O-N 3.12Å; H299-N303 PolarHBondContact O-ND2 3.36Å; L300-N303 PolarHBondContact O-N 3.23Å; T301-N303 VanDerWaalsContact C-N 3.26Å; T301-N303 PolarHBondContact O-N 3.26Å; N303-F305 PolarHBondContact O-N 3.01Å; N303-R306 PolarHBondContact O-N 2.79Å; N303-A307 PolarHBondContact O-N 2.59Å
304S73.6Confident70.7Confident12 Ų1271.1 Ų71.18%0.08439%0.392CS..Hα-helixtrans-51.6-47.4164.6-1.10000112.4Y268 L300 T301 R306 A307 N308Y268-S304 VanDerWaalsContact CD1-CA 3.48Å; Y268-S304 VanDerWaalsContact CZ-OG 3.3Å; Y268-S304 WeakPolarHBondContact OH-CB 3.39Å; Y268-S304 PolarHBondContact OH-OG 3.23Å; L300-S304 PolarHBondContact O-N 3.09Å; L300-S304 VanDerWaalsContact O-N 3.09Å; L300-S304 PolarHBondContact O-OG 3.24Å; T301-S304 VanDerWaalsContact C-OG 3.24Å; T301-S304 VanDerWaalsContact CA-OG 3.24Å; T301-S304 WeakPolarHBondContact CA-OG 3.47Å; T301-S304 WeakPolarHBondContact O-CB 3.4Å; T301-S304 PolarHBondContact O-N 3.3Å; T301-S304 PolarHBondContact O-OG 3.05Å; S304-R306 PolarHBondContact O-N 3.17Å; S304-A307 PolarHBondContact O-N 2.8Å; S304-N308 WeakPolarHBondContact O-CB 3.12Å; S304-N308 PolarHBondContact O-N 2.85Å
305F59.1Low68.7Low59 Ų5974.3 Ų74.326%0.25941%0.412SS..Hα-helixtrans-63.8-39.2-174.3-69.7-61.4000110.2T301 L302 N303 S309 P326 M329T301-F305 HydrophobicContact CG2-CD2 4.3Å; T301-F305 HydrophobicContact CG2-CE2 3.61Å; T301-F305 HydrophobicContact CG2-CZ 4.23Å; T301-F305 WeakPolarHBondContact O-CD2 3.04Å; T301-F305 PolarHBondContact O-N 2.63Å; L302-F305 PolarHBondContact O-N 2.68Å; N303-F305 PolarHBondContact O-N 3.01Å; F305-S309 VanDerWaalsContact O-CB 3.29Å; F305-S309 WeakPolarHBondContact O-CB 3.33Å; F305-S309 PolarHBondContact O-N 3.26Å; F305-S309 PolarHBondContact O-OG 2.78Å; F305-P326 HydrophobicContact CD1-CB 3.84Å; F305-P326 HydrophobicContact CE1-CB 3.68Å; F305-M329 HydrophobicContact CZ-CB 4.47Å
306R72.2Confident66.4Low155 Ų15582.8 Ų82.859%0.58544%0.44SS*.Hα-helixtrans-63.8-50.6174.8-68-178.7177.2-170.5-3.2111.6L302 N303 S304 N308 S309 T310L302-R306 PolarHBondContact O-N 3.37Å; N303-R306 PolarHBondContact O-N 2.79Å; S304-R306 PolarHBondContact O-N 3.17Å; R306-N308 PolarHBondContact O-N 3.04Å; R306-S309 PolarHBondContact O-N 3.48Å; R306-S309 PolarHBondContact O-OG 2.73Å; R306-T310 PolarHBondContact O-N 3.09Å; R306-T310 PolarHBondContact O-OG1 2.89Å; R306-T310 VanDerWaalsContact O-OG1 3.08Å
307A70Confident64.1Low27 Ų2790.6 Ų90.622%0.22348%0.481CS..Hα-helixtrans-61.2-43.6-17900000112.8Y268 N303 S304 T310 T311Y268-A307 HydrophobicContact CD1-CB 3.98Å; Y268-A307 HydrophobicContact CG-CB 4.22Å; N303-A307 PolarHBondContact O-N 2.59Å; S304-A307 PolarHBondContact O-N 2.8Å; A307-T310 PolarHBondContact O-N 3.29Å; A307-T310 PolarHBondContact O-OG1 2.97Å; A307-T311 PolarHBondContact O-N 2.75Å; A307-T311 PolarHBondContact O-OG1 3.21Å
308N67.4Low61.9Low97 Ų9790.7 Ų90.752%0.51950%0.495SS..Hα-helixtrans-70.3-32.3179.3-69.9-8.3000112.6S304 R306 T310 T311 A312S304-N308 WeakPolarHBondContact O-CB 3.12Å; S304-N308 PolarHBondContact O-N 2.85Å; R306-N308 PolarHBondContact O-N 3.04Å; N308-T310 VanDerWaalsContact C-N 3.27Å; N308-T310 PolarHBondContact O-N 3.46Å; N308-T311 PolarHBondContact O-N 2.77Å; N308-T311 PolarHBondContact O-OG1 3.3Å; N308-A312 PolarHBondContact O-N 2.95Å
309S62.5Low59.5Low88 Ų8891.9 Ų91.962%0.61551%0.513SS*.Hα-helixtrans-66.6-29.5175.969.50000112.9F305 R306F305-S309 VanDerWaalsContact O-CB 3.29Å; F305-S309 WeakPolarHBondContact O-CB 3.33Å; F305-S309 PolarHBondContact O-N 3.26Å; F305-S309 PolarHBondContact O-OG 2.78Å; R306-S309 PolarHBondContact O-N 3.48Å; R306-S309 PolarHBondContact O-OG 2.73Å
310T62.1Low57.1Low112 Ų11296.5 Ų96.569%0.68755%0.545SS*.Hα-helixtrans-77.5-31.2175.729.50000113.7R306 A307 N308R306-T310 PolarHBondContact O-N 3.09Å; R306-T310 PolarHBondContact O-OG1 2.89Å; R306-T310 VanDerWaalsContact O-OG1 3.08Å; A307-T310 PolarHBondContact O-N 3.29Å; A307-T310 PolarHBondContact O-OG1 2.97Å; N308-T310 VanDerWaalsContact C-N 3.27Å; N308-T310 PolarHBondContact O-N 3.46Å
311T54.6Low54.8Low105 Ų105101.6 Ų101.664%0.64458%0.581SS**Hα-helixtrans-86.3-15.7-179.448.60000114.2A307 N308 G313A307-T311 PolarHBondContact O-N 2.75Å; A307-T311 PolarHBondContact O-OG1 3.21Å; N308-T311 PolarHBondContact O-N 2.77Å; N308-T311 PolarHBondContact O-OG1 3.3Å; T311-G313 PolarHBondContact O-N 2.77Å
312A49.7Very low52.6Low89 Ų89104.4 Ų104.474%0.73660%0.601SS**THydrogen-bonded Turntrans-69.77178.600000114.4N308N308-A312 PolarHBondContact O-N 2.95Å
313G46.9Very low50.9Low66 Ų66108.4 Ų108.468%0.6863%0.628SS**THydrogen-bonded Turntrans-81.4-25.3179.700000116.5T311T311-G313 PolarHBondContact O-N 2.77Å
314E45.3Very low49.2Very low174 Ų174111.7 Ų111.781%0.81365%0.648SS**SBendtrans-139.1-0.7-160.7-97.4179.2178.900120.7
315N41.8Very low47.8Very low162 Ų162117.3 Ų117.387%0.86667%0.673SS**  trans-135.2105.9173.4-79.9-45.9000113.7L317N315-L317 PolarHBondContact O-N 3.16Å
316R32.2Very low47.7Very low253 Ų253118.2 Ų118.296%0.95569%0.685SS**  trans-73.2110.2166.3-74.6-179.6178.6179.9-0.2109.3
317L38.3Very low47.8Very low164 Ų164114.6 Ų114.686%0.85968%0.68SS**  trans-129.1148.5152.1-83.9170.6000109.3N315N315-L317 PolarHBondContact O-N 3.16Å
318P38.3Very low48.2Very low105 Ų105118.4 Ų118.468%0.68269%0.694SS**  trans-91.5142.4-147.635.3-34.5000113.7
319S34.2Very low48.5Very low96 Ų96119.1 Ų119.167%0.67170%0.695SS**  trans30114.9141.562.70000118.3
320T32.5Very low49.5Very low135 Ų135116.5 Ų116.583%0.82868%0.675SS**  174.8146.4101.433.60000111.2
321S33.9Very low50.8Low112 Ų112113.1 Ų113.178%0.78365%0.653SS**SBendtrans84.4113.6163.280.40000119.2T323S321-T323 PolarHBondContact O-N 3.38Å
322C35.5Very low52.5Low126 Ų126113 Ų11385%0.85165%0.649SS**  trans49.158.5157.7-67.10000118.3V324C322-V324 PolarHBondContact O-N 3.2Å; C322-V324 VanDerWaalsContact O-N 3.09Å
323T43.1Very low54.3Low134 Ų134112.6 Ų112.682%0.82263%0.63SS**  trans-75.490.5157.746.10000109.3S321 E325S321-T323 PolarHBondContact O-N 3.38Å; T323-E325 PolarHBondContact O-N 3.38Å
324V40.3Very low56.4Low74 Ų74110.9 Ų110.945%0.44860%0.604SS.*  trans-53.7121.4160.1175.10000106.8C322 E328 M329C322-V324 PolarHBondContact O-N 3.2Å; C322-V324 VanDerWaalsContact O-N 3.09Å; V324-E328 HydrophobicContact CG1-CB 4.05Å; V324-M329 HydrophobicContact CB-CE 4.26Å; V324-M329 HydrophobicContact CG1-CE 4.34Å; V324-M329 HydrophobicContact CG1-CG 4.21Å
325E44.3Very low58.8Low131 Ų131104.4 Ų104.461%0.61258%0.575SS**  trans-60.3136.8-176.2-77-156.9163.900110.4T323 T327 E328T323-E325 PolarHBondContact O-N 3.38Å; E325-T327 PolarHBondContact O-N 2.94Å; E325-E328 PolarHBondContact O-N 3.1Å
326P56.8Low61.3Low78 Ų7899.7 Ų99.751%0.50655%0.554SS.*Hα-helixtrans-51.5-26.5-178-30.435.5000115.6F305 T330F305-P326 HydrophobicContact CD1-CB 3.84Å; F305-P326 HydrophobicContact CE1-CB 3.68Å; P326-T330 PolarHBondContact O-N 3.11Å; P326-T330 PolarHBondContact O-OG1 3.35Å
327T75.1Confident64.1Low79 Ų7990.3 Ų90.349%0.48552%0.523SS..Hα-helixtrans-66.9-37.1176.644.20000112.1E325 T330 N331E325-T327 PolarHBondContact O-N 2.94Å; T327-T330 PolarHBondContact O-N 3.04Å; T327-N331 WeakPolarHBondContact O-CB 3.35Å; T327-N331 PolarHBondContact O-N 3.08Å; T327-N331 PolarHBondContact O-ND2 3.21Å; T327-N331 PolarHBondContact O-OD1 3.36Å
328E77.3Confident66.9Low107 Ų10782.5 Ų82.550%0.548%0.482SS..Hα-helixtrans-68.6-44.9-178.8-67.8-170.916000112.1V324 E325 T330 N331 N332V324-E328 HydrophobicContact CG1-CB 4.05Å; E325-E328 PolarHBondContact O-N 3.1Å; E328-T330 VanDerWaalsContact C-N 3.32Å; E328-T330 PolarHBondContact O-N 2.89Å; E328-N331 PolarHBondContact O-N 3.39Å; E328-N332 WeakPolarHBondContact O-CB 3.42Å; E328-N332 VanDerWaalsContact O-CG 3.23Å; E328-N332 PolarHBondContact O-N 2.88Å; E328-N332 PolarHBondContact O-ND2 3.08Å
329M74.7Confident69.7Low112 Ų11281.5 Ų81.555%0.55247%0.467SS*.Hα-helixtrans-61.8-41.1177.1-72.3-164.1-162.800112F305 V324 N332 F333F305-M329 HydrophobicContact CZ-CB 4.47Å; V324-M329 HydrophobicContact CB-CE 4.26Å; V324-M329 HydrophobicContact CG1-CE 4.34Å; V324-M329 HydrophobicContact CG1-CG 4.21Å; M329-N332 PolarHBondContact O-N 3.19Å; M329-F333 PolarHBondContact O-N 3.5Å
330T82.2Confident72.5Confident32 Ų3279.9 Ų79.920%0.19645%0.451CS..Hα-helixtrans-65.5-42178.4-55.30000111.1P326 T327 E328 F333 K334P326-T330 PolarHBondContact O-N 3.11Å; P326-T330 PolarHBondContact O-OG1 3.35Å; T327-T330 PolarHBondContact O-N 3.04Å; E328-T330 VanDerWaalsContact C-N 3.32Å; E328-T330 PolarHBondContact O-N 2.89Å; T330-F333 PolarHBondContact O-N 3.38Å; T330-K334 HydrophobicContact CG2-CD 4.48Å; T330-K334 WeakPolarHBondContact O-CG 3.35Å; T330-K334 PolarHBondContact O-N 2.95Å
331N90.2Very high75.6Confident41 Ų4175.2 Ų75.222%0.21942%0.42CS..Hα-helixtrans-66.5-40.5177.9-71.7-11000111.9T327 E328 F333 K334 L335 M365T327-N331 WeakPolarHBondContact O-CB 3.35Å; T327-N331 PolarHBondContact O-N 3.08Å; T327-N331 PolarHBondContact O-ND2 3.21Å; T327-N331 PolarHBondContact O-OD1 3.36Å; E328-N331 PolarHBondContact O-N 3.39Å; N331-F333 PolarHBondContact O-N 3.12Å; N331-K334 PolarHBondContact O-N 3.39Å; N331-L335 WeakPolarHBondContact O-CB 3.41Å; N331-L335 WeakPolarHBondContact O-CG 3.35Å; N331-L335 PolarHBondContact O-N 2.9Å; N331-M365 HydrophobicContact CB-CE 3.56Å; N331-M365 HydrophobicContact CB-SD 4.23Å; N331-M365 PolarHBondContact OD1-SD 2.87Å; N331-M365 VanDerWaalsContact OD1-SD 3.37Å
332N91.2Very high78.5Confident104 Ų10469.9 Ų69.956%0.55638%0.383SS*.Hα-helixtrans-62.7-42175.9-71.8-20.6000111.8E328 M329 L335 S336E328-N332 WeakPolarHBondContact O-CB 3.42Å; E328-N332 VanDerWaalsContact O-CG 3.23Å; E328-N332 PolarHBondContact O-N 2.88Å; E328-N332 PolarHBondContact O-ND2 3.08Å; M329-N332 PolarHBondContact O-N 3.19Å; N332-L335 PolarHBondContact O-N 3.31Å; N332-S336 PolarHBondContact O-N 3.24Å
333F87.1Confident81.4Confident80 Ų8066.4 Ų66.435%0.35136%0.356SS..Hα-helixtrans-63.1-48.1174.4178.8-94.4000112Y298 M329 T330 N331 L335 S336 L337Y298-F333 AromaticContact CD2-CD1 3.65Å; Y298-F333 HydrophobicContact CD2-CD1 3.65Å; Y298-F333 AromaticContact CD2-CE1 3.19Å; Y298-F333 HydrophobicContact CD2-CE1 3.19Å; Y298-F333 AromaticContact CD2-CZ 3.88Å; Y298-F333 HydrophobicContact CD2-CZ 3.88Å; Y298-F333 AromaticContact CE2-CD1 3.97Å; Y298-F333 HydrophobicContact CE2-CD1 3.97Å; Y298-F333 AromaticContact CE2-CE1 3.8Å; Y298-F333 HydrophobicContact CE2-CE1 3.8Å; Y298-F333 AromaticContact CG-CE1 3.93Å; Y298-F333 HydrophobicContact CG-CE1 3.93Å; Y298-F333 HydrophobicContact CG-CZ 4.26Å; M329-F333 PolarHBondContact O-N 3.5Å; T330-F333 PolarHBondContact O-N 3.38Å; N331-F333 PolarHBondContact O-N 3.12Å; F333-L335 VanDerWaalsContact C-N 3.29Å; F333-L335 PolarHBondContact O-N 3.26Å; F333-S336 WeakPolarHBondContact O-CB 3.02Å; F333-S336 PolarHBondContact O-N 3.38Å; F333-L337 PolarHBondContact O-N 2.75Å
334K91.3Very high83.8Confident30 Ų3066.2 Ų66.213%0.1335%0.346CS..Hα-helixtrans-57.5-42.2176.3-75.6179.1175.7-163.80111.6T330 N331 L337 F338 W358 N362 D364 M365T330-K334 HydrophobicContact CG2-CD 4.48Å; T330-K334 WeakPolarHBondContact O-CG 3.35Å; T330-K334 PolarHBondContact O-N 2.95Å; N331-K334 PolarHBondContact O-N 3.39Å; K334-L337 PolarHBondContact O-N 3.23Å; K334-F338 WeakPolarHBondContact O-CB 3.35Å; K334-F338 PolarHBondContact O-N 3.36Å; K334-W358 HydrophobicContact CB-CH2 4.05Å; K334-W358 HydrophobicContact CB-CZ2 4.27Å; K334-W358 HydrophobicContact CG-CZ2 4.44Å; K334-W358 VanDerWaalsContact O-CH2 3.27Å; K334-W358 WeakPolarHBondContact O-CH2 3.46Å; K334-N362 WeakPolarHBondContact CD-OD1 3.42Å; K334-N362 WeakPolarHBondContact CE-OD1 3.49Å; K334-N362 PolarHBondContact NZ-OD1 3.38Å; K334-D364 IonicContact NZ-OD2 3.69Å; K334-M365 HydrophobicContact CB-CE 4.35Å; K334-M365 HydrophobicContact CB-SD 3.89Å; K334-M365 HydrophobicContact CD-SD 3.42Å; K334-M365 WeakPolarHBondContact CD-SD 3.48Å; K334-M365 HydrophobicContact CG-SD 4.33Å
335L95.1Very high86.4Confident37 Ų3763.3 Ų63.319%0.19433%0.327CS..Hα-helixtrans-65.9-39.4176.8-76.2166.9000112.6N331 N332 F333 F338 K339 M365 Q368 L369 Q372N331-L335 WeakPolarHBondContact O-CB 3.41Å; N331-L335 WeakPolarHBondContact O-CG 3.35Å; N331-L335 PolarHBondContact O-N 2.9Å; N332-L335 PolarHBondContact O-N 3.31Å; F333-L335 VanDerWaalsContact C-N 3.29Å; F333-L335 PolarHBondContact O-N 3.26Å; L335-F338 PolarHBondContact O-N 3.46Å; L335-K339 WeakPolarHBondContact O-CB 3.2Å; L335-K339 PolarHBondContact O-N 2.88Å; L335-M365 HydrophobicContact CD1-CE 4.07Å; L335-M365 HydrophobicContact CD2-CE 4.26Å; L335-M365 HydrophobicContact CG-CE 3.75Å; L335-Q368 HydrophobicContact CD1-CB 4.27Å; L335-Q368 HydrophobicContact CD2-CB 3.89Å; L335-L369 HydrophobicContact CD2-CD2 3.98Å; L335-Q372 HydrophobicContact CD2-CB 4.37Å
336S93.5Very high88.7Confident63 Ų6359.3 Ų59.344%0.44131%0.314SS..Hα-helixtrans-62.2-49174.1-168.40000111.3N332 F333 F338 K339 D340N332-S336 PolarHBondContact O-N 3.24Å; F333-S336 WeakPolarHBondContact O-CB 3.02Å; F333-S336 PolarHBondContact O-N 3.38Å; S336-F338 VanDerWaalsContact C-N 3.31Å; S336-F338 PolarHBondContact O-N 2.63Å; S336-K339 WeakPolarHBondContact O-CB 3.44Å; S336-K339 PolarHBondContact O-N 3.45Å; S336-K339 VanDerWaalsContact O-N 3.15Å; S336-D340 PolarHBondContact O-N 3.16Å
337L92.5Very high90.1Very high57 Ų5760.3 Ų60.330%0.29831%0.308SS..Hα-helixtrans-59.8-43.6177.7-178.764.2000111.3F333 K334 K339 D340 M341 W358F333-L337 PolarHBondContact O-N 2.75Å; K334-L337 PolarHBondContact O-N 3.23Å; L337-K339 VanDerWaalsContact C-N 3.33Å; L337-K339 PolarHBondContact O-N 3.12Å; L337-D340 PolarHBondContact O-N 3.14Å; L337-M341 WeakPolarHBondContact O-CG 3.15Å; L337-M341 PolarHBondContact O-N 3.05Å; L337-W358 HydrophobicContact CD2-CZ2 4.14Å
338F96.4Very high90.9Very high0 Ų059 Ų590%030%0.302CS..Hα-helixtrans-62.3-41.1176.5-176.1-121000112.1K334 L335 S336 D340 M341 L342 T355 W358 M359 L369 Q372 W373K334-F338 WeakPolarHBondContact O-CB 3.35Å; K334-F338 PolarHBondContact O-N 3.36Å; L335-F338 PolarHBondContact O-N 3.46Å; S336-F338 VanDerWaalsContact C-N 3.31Å; S336-F338 PolarHBondContact O-N 2.63Å; F338-D340 VanDerWaalsContact C-N 3.28Å; F338-D340 PolarHBondContact O-N 3.5Å; F338-M341 WeakPolarHBondContact O-CB 3.48Å; F338-M341 PolarHBondContact O-N 3.41Å; F338-L342 HydrophobicContact CD1-CD1 3.95Å; F338-L342 HydrophobicContact CD1-CG 4.34Å; F338-L342 HydrophobicContact CD2-CG 4.42Å; F338-L342 HydrophobicContact CE1-CD1 3.44Å; F338-L342 VanDerWaalsContact CE1-CD1 3.44Å; F338-L342 HydrophobicContact CE1-CD2 4.41Å; F338-L342 HydrophobicContact CE1-CG 3.98Å; F338-L342 HydrophobicContact CE2-CD1 4.39Å; F338-L342 HydrophobicContact CE2-CD2 4Å; F338-L342 HydrophobicContact CE2-CG 4.04Å; F338-L342 HydrophobicContact CZ-CD1 3.69Å; F338-L342 HydrophobicContact CZ-CD2 3.79Å; F338-L342 HydrophobicContact CZ-CG 3.81Å; F338-L342 WeakPolarHBondContact O-CG 3.37Å; F338-L342 PolarHBondContact O-N 3Å; F338-T355 HydrophobicContact CE2-CG2 3.84Å; F338-W358 HydrophobicContact CB-CE3 4.36Å; F338-W358 HydrophobicContact CB-CH2 3.79Å; F338-W358 HydrophobicContact CB-CZ3 3.59Å; F338-W358 AromaticContact CD2-CE3 3.7Å; F338-W358 HydrophobicContact CD2-CE3 3.7Å; F338-W358 AromaticContact CD2-CZ3 3.62Å; F338-W358 HydrophobicContact CD2-CZ3 3.62Å; F338-W358 HydrophobicContact CE2-CE3 4.46Å; F338-W358 HydrophobicContact CG-CE3 4.34Å; F338-W358 HydrophobicContact CG-CH2 4.48Å; F338-W358 AromaticContact CG-CZ3 3.79Å; F338-W358 HydrophobicContact CG-CZ3 3.79Å; F338-M359 HydrophobicContact CD2-CG 4.19Å; F338-M359 HydrophobicContact CE2-CG 3.35Å; F338-M359 HydrophobicContact CE2-SD 3.62Å; F338-M359 HydrophobicContact CZ-CE 3.93Å; F338-M359 HydrophobicContact CZ-CG 3.73Å; F338-M359 HydrophobicContact CZ-SD 3.47Å; F338-M359 WeakPolarHBondContact CZ-SD 3.48Å; F338-L369 HydrophobicContact CB-CD2 4Å; F338-L369 HydrophobicContact CD1-CB 4.47Å; F338-L369 HydrophobicContact CD1-CD2 3.57Å; F338-L369 HydrophobicContact CD2-CD2 4.42Å; F338-L369 HydrophobicContact CE1-CB 4.19Å; F338-L369 HydrophobicContact CE1-CD2 4.13Å; F338-L369 VanDerWaalsContact CE1-O 3.28Å; F338-L369 WeakPolarHBondContact CE1-O 3.38Å; F338-L369 HydrophobicContact CG-CD2 3.73Å; F338-Q372 HydrophobicContact CD1-CB 4.07Å; F338-Q372 HydrophobicContact CD1-CG 3.91Å; F338-Q372 HydrophobicContact CE1-CB 4.16Å; F338-Q372 HydrophobicContact CE1-CG 4.28Å; F338-W373 HydrophobicContact CE1-CB 4.39Å; F338-W373 HydrophobicContact CZ-CB 4.44Å
339K96.1Very high91.7Very high84 Ų8458.4 Ų58.437%0.36531%0.309SS..Hα-helixtrans-59.5-40.2175.2-176.2-179.4178.4-175.40111.4L335 S336 L337 L342 N343L335-K339 WeakPolarHBondContact O-CB 3.2Å; L335-K339 PolarHBondContact O-N 2.88Å; S336-K339 WeakPolarHBondContact O-CB 3.44Å; S336-K339 PolarHBondContact O-N 3.45Å; S336-K339 VanDerWaalsContact O-N 3.15Å; L337-K339 VanDerWaalsContact C-N 3.33Å; L337-K339 PolarHBondContact O-N 3.12Å; K339-L342 PolarHBondContact O-N 3.29Å; K339-N343 WeakPolarHBondContact O-CB 3.42Å; K339-N343 VanDerWaalsContact O-CG 3.27Å; K339-N343 PolarHBondContact O-N 2.9Å; K339-N343 PolarHBondContact O-ND2 3.5Å
340D94.2Very high92.5Very high61 Ų6162.8 Ų62.833%0.32632%0.32SS..Hα-helixtrans-67.1-43.9176.6-64.3-24.4000111.7S336 L337 F338 L342 N343 E344S336-D340 PolarHBondContact O-N 3.16Å; L337-D340 PolarHBondContact O-N 3.14Å; F338-D340 VanDerWaalsContact C-N 3.28Å; F338-D340 PolarHBondContact O-N 3.5Å; D340-L342 VanDerWaalsContact C-N 3.29Å; D340-L342 PolarHBondContact O-N 2.98Å; D340-N343 WeakPolarHBondContact O-CB 3.17Å; D340-N343 PolarHBondContact O-N 2.99Å; D340-E344 PolarHBondContact O-N 2.91Å
341M96.4Very high93.1Very high37 Ų3765.3 Ų65.318%0.18233%0.328CS..Hα-helixtrans-57.5-42.9173-67179.478.900112L337 F338 N343 E344 L345 W358L337-M341 WeakPolarHBondContact O-CG 3.15Å; L337-M341 PolarHBondContact O-N 3.05Å; F338-M341 WeakPolarHBondContact O-CB 3.48Å; F338-M341 PolarHBondContact O-N 3.41Å; M341-N343 VanDerWaalsContact C-N 3.33Å; M341-E344 PolarHBondContact O-N 3.11Å; M341-L345 PolarHBondContact O-N 3.08Å; M341-W358 HydrophobicContact CE-CB 3.9Å; M341-W358 HydrophobicContact CE-CG 4.14Å; M341-W358 HydrophobicContact SD-CB 4.23Å; M341-W358 HydrophobicContact SD-CD2 3.99Å; M341-W358 HydrophobicContact SD-CE3 4.48Å; M341-W358 HydrophobicContact SD-CG 3.85Å
342L96.3Very high93.4Very high0 Ų064.1 Ų64.10%032%0.321CS..Hα-helixtrans-67.4-33.8175.1-68.9-175.7000112F338 K339 D340 E344 L345 T355 Q372 W373 S376 Y385 M389F338-L342 HydrophobicContact CD1-CD1 3.95Å; F338-L342 HydrophobicContact CD1-CG 4.34Å; F338-L342 HydrophobicContact CD2-CG 4.42Å; F338-L342 HydrophobicContact CE1-CD1 3.44Å; F338-L342 VanDerWaalsContact CE1-CD1 3.44Å; F338-L342 HydrophobicContact CE1-CD2 4.41Å; F338-L342 HydrophobicContact CE1-CG 3.98Å; F338-L342 HydrophobicContact CE2-CD1 4.39Å; F338-L342 HydrophobicContact CE2-CD2 4Å; F338-L342 HydrophobicContact CE2-CG 4.04Å; F338-L342 HydrophobicContact CZ-CD1 3.69Å; F338-L342 HydrophobicContact CZ-CD2 3.79Å; F338-L342 HydrophobicContact CZ-CG 3.81Å; F338-L342 WeakPolarHBondContact O-CG 3.37Å; F338-L342 PolarHBondContact O-N 3Å; K339-L342 PolarHBondContact O-N 3.29Å; D340-L342 VanDerWaalsContact C-N 3.29Å; D340-L342 PolarHBondContact O-N 2.98Å; L342-E344 VanDerWaalsContact C-N 3.32Å; L342-L345 HydrophobicContact CD2-CD2 4.48Å; L342-L345 WeakPolarHBondContact O-CB 3.17Å; L342-L345 PolarHBondContact O-N 3.16Å; L342-T355 HydrophobicContact CD2-CG2 4.04Å; L342-Q372 HydrophobicContact CD1-CG 4.34Å; L342-W373 HydrophobicContact CD1-CB 4.43Å; L342-S376 WeakPolarHBondContact CD1-OG 3.45Å; L342-Y385 WeakPolarHBondContact O-CE2 3.41Å; L342-Y385 PolarHBondContact O-OH 3.34Å; L342-M389 HydrophobicContact CD1-CE 4.23Å; L342-M389 HydrophobicContact CD2-CE 4.07Å; L342-M389 HydrophobicContact CD2-SD 3.73Å
343N94.5Very high93.6Very high53 Ų5363.8 Ų63.828%0.28332%0.315SS..Hα-helixtrans-68.5-33.5178.6-82-32.3000112.6K339 D340 M341 L345 K380K339-N343 WeakPolarHBondContact O-CB 3.42Å; K339-N343 VanDerWaalsContact O-CG 3.27Å; K339-N343 PolarHBondContact O-N 2.9Å; K339-N343 PolarHBondContact O-ND2 3.5Å; D340-N343 WeakPolarHBondContact O-CB 3.17Å; D340-N343 PolarHBondContact O-N 2.99Å; M341-N343 VanDerWaalsContact C-N 3.33Å; N343-L345 VanDerWaalsContact C-N 3.35Å; N343-K380 PolarHBondContact O-NZ 3.45Å; N343-K380 WeakPolarHBondContact OD1-CE 3.49Å; N343-K380 PolarHBondContact OD1-NZ 3.41Å
344E93.6Very high93.9Very high131 Ų13162.7 Ų62.761%0.61232%0.317SS*.THydrogen-bonded Turntrans-88.1-1.4177.1-65.3-174.8-177.200113.9D340 M341 L342 S346 K351D340-E344 PolarHBondContact O-N 2.91Å; M341-E344 PolarHBondContact O-N 3.11Å; L342-E344 VanDerWaalsContact C-N 3.32Å; E344-S346 PolarHBondContact O-N 2.72Å; E344-K351 WeakPolarHBondContact O-CD 3.46Å; E344-K351 PolarHBondContact O-NZ 2.87Å
345L95.2Very high94.2Very high12 Ų1261.5 Ų61.56%0.06331%0.312CS..  trans-63.3134.8-176.4-167.969.9000110.6M341 L342 N343 K351 I352 Y385 A388 M389 V392M341-L345 PolarHBondContact O-N 3.08Å; L342-L345 HydrophobicContact CD2-CD2 4.48Å; L342-L345 WeakPolarHBondContact O-CB 3.17Å; L342-L345 PolarHBondContact O-N 3.16Å; N343-L345 VanDerWaalsContact C-N 3.35Å; L345-K351 HydrophobicContact CD1-CB 4.27Å; L345-I352 HydrophobicContact CD1-CG1 4.29Å; L345-Y385 HydrophobicContact CB-CE2 4.01Å; L345-A388 HydrophobicContact CD2-CB 3.91Å; L345-A388 HydrophobicContact CG-CB 3.94Å; L345-M389 HydrophobicContact CD2-CG 4.08Å; L345-M389 HydrophobicContact CD2-SD 3.48Å; L345-M389 WeakPolarHBondContact CD2-SD 3.42Å; L345-V392 HydrophobicContact CD1-CG2 4Å; L345-V392 HydrophobicContact CD2-CG2 3.84Å
346S92.1Very high94.2Very high48 Ų4859.9 Ų59.934%0.33630%0.304SS..  trans-139.3178.5175.564.90000108.7E344 S348 A388E344-S346 PolarHBondContact O-N 2.72Å; S346-S348 PolarHBondContact O-N 2.81Å; S346-S348 PolarHBondContact OG-N 2.95Å; S346-A388 WeakPolarHBondContact O-CB 3.27Å
347R87.3Confident94.3Very high99 Ų9961.4 Ų61.437%0.37430%0.304SS..SBendtrans-66.40.8175.1-72.3-177.3167.1-166.9-6.9115.2S349 E384 N430R347-S349 PolarHBondContact O-N 3.39Å; R347-E384 HydrophobicContact CG-CB 4.28Å; R347-N430 PolarHBondContact NH2-ND2 3.03Å; R347-N430 PolarHBondContact NH2-OD1 3.16Å
348S92.2Very high94.5Very high51 Ų5160.5 Ų60.536%0.35730%0.297SS..  trans-59.3118.6173.8178.10000110.7S346 R350 K351 I352S346-S348 PolarHBondContact O-N 2.81Å; S346-S348 PolarHBondContact OG-N 2.95Å; S348-R350 PolarHBondContact O-N 2.81Å; S348-K351 PolarHBondContact O-N 2.97Å; S348-I352 PolarHBondContact O-N 2.95Å
349S92.6Very high94.5Very high94 Ų9460.5 Ų60.566%0.65730%0.297SS*.Hα-helixtrans-51.2-41.4175.4179.20000111.8R347 K351 I352 K353R347-S349 PolarHBondContact O-N 3.39Å; S349-K351 PolarHBondContact O-N 2.79Å; S349-I352 PolarHBondContact O-N 3.26Å; S349-K353 VanDerWaalsContact O-CB 3.3Å; S349-K353 WeakPolarHBondContact O-CB 3.39Å; S349-K353 PolarHBondContact O-N 2.87Å
350R92.5Very high94.4Very high205 Ų20557.7 Ų57.777%0.77429%0.287SS*.Hα-helixtrans-59.5-44.6177.1-174.1-175.7-69.2173.8-3.1112.6S348 S354S348-R350 PolarHBondContact O-N 2.81Å; R350-S354 VanDerWaalsContact O-CB 3.28Å; R350-S354 WeakPolarHBondContact O-CB 3.33Å; R350-S354 PolarHBondContact O-N 3.05Å
351K94Very high94.3Very high84 Ų8462.1 Ų62.137%0.36531%0.306SS..Hα-helixtrans-68.6-45.3179.3-71.6-171.5171.2-173.30111E344 L345 S348 S349 K353 S354 T355E344-K351 WeakPolarHBondContact O-CD 3.46Å; E344-K351 PolarHBondContact O-NZ 2.87Å; L345-K351 HydrophobicContact CD1-CB 4.27Å; S348-K351 PolarHBondContact O-N 2.97Å; S349-K351 PolarHBondContact O-N 2.79Å; K351-K353 VanDerWaalsContact C-N 3.34Å; K351-K353 PolarHBondContact O-N 2.86Å; K351-S354 PolarHBondContact O-N 3.45Å; K351-T355 WeakPolarHBondContact O-CB 3.49Å; K351-T355 PolarHBondContact O-N 3.43Å; K351-T355 PolarHBondContact O-OG1 2.89Å
352I96.8Very high94.2Very high16 Ų1661.2 Ų61.28%0.08230%0.302CS..Hα-helixtrans-56.2-50176.2-68165.8000110.4L345 S348 S349 T355 S356 A388 C391 V392 E395L345-I352 HydrophobicContact CD1-CG1 4.29Å; S348-I352 PolarHBondContact O-N 2.95Å; S349-I352 PolarHBondContact O-N 3.26Å; I352-T355 PolarHBondContact O-N 3.3Å; I352-S356 WeakPolarHBondContact O-CB 3.18Å; I352-S356 PolarHBondContact O-N 3.12Å; I352-S356 PolarHBondContact O-OG 3.08Å; I352-A388 HydrophobicContact CD1-CB 4.38Å; I352-A388 HydrophobicContact CG1-CB 4.42Å; I352-C391 HydrophobicContact CD1-CB 3.91Å; I352-C391 HydrophobicContact CG1-CB 4.48Å; I352-C391 HydrophobicContact CG2-CB 3.86Å; I352-V392 HydrophobicContact CB-CG2 4.33Å; I352-V392 HydrophobicContact CG1-CG2 4.41Å; I352-V392 HydrophobicContact CG2-CG2 3.98Å; I352-E395 HydrophobicContact CG2-CG 4.12Å
353K94.9Very high94.1Very high97 Ų9761.9 Ų61.942%0.42231%0.308SS..Hα-helixtrans-60.5-53.4178.8-174.1173.7178-179.80111.5S349 K351 T355 S356 E357S349-K353 VanDerWaalsContact O-CB 3.3Å; S349-K353 WeakPolarHBondContact O-CB 3.39Å; S349-K353 PolarHBondContact O-N 2.87Å; K351-K353 VanDerWaalsContact C-N 3.34Å; K351-K353 PolarHBondContact O-N 2.86Å; K353-T355 VanDerWaalsContact C-N 3.33Å; K353-T355 PolarHBondContact O-N 3.19Å; K353-S356 WeakPolarHBondContact CA-OG 3.41Å; K353-S356 PolarHBondContact O-N 3.29Å; K353-S356 VanDerWaalsContact O-N 3.09Å; K353-S356 PolarHBondContact O-OG 3.4Å; K353-E357 WeakPolarHBondContact CE-OE1 3.29Å; K353-E357 HydrophobicContact CG-CG 4.35Å; K353-E357 WeakPolarHBondContact O-CG 3.43Å; K353-E357 PolarHBondContact O-N 2.88Å
354S94.5Very high94Very high58 Ų5865 Ų6541%0.40633%0.325SS..Hα-helixtrans-58.4-41.5179.5178.80000112.9R350 K351 W358R350-S354 VanDerWaalsContact O-CB 3.28Å; R350-S354 WeakPolarHBondContact O-CB 3.33Å; R350-S354 PolarHBondContact O-N 3.05Å; K351-S354 PolarHBondContact O-N 3.45Å; S354-W358 WeakPolarHBondContact O-CB 3.47Å; S354-W358 PolarHBondContact O-N 2.99Å; S354-W358 VanDerWaalsContact O-N 3.07Å
355T96.9Very high94Very high4 Ų458.8 Ų58.83%0.02530%0.296CS..Hα-helixtrans-65.6-42.8175.2-57.70000111.7F338 L342 K351 I352 K353 W358 M359 V392F338-T355 HydrophobicContact CE2-CG2 3.84Å; L342-T355 HydrophobicContact CD2-CG2 4.04Å; K351-T355 WeakPolarHBondContact O-CB 3.49Å; K351-T355 PolarHBondContact O-N 3.43Å; K351-T355 PolarHBondContact O-OG1 2.89Å; I352-T355 PolarHBondContact O-N 3.3Å; K353-T355 VanDerWaalsContact C-N 3.33Å; K353-T355 PolarHBondContact O-N 3.19Å; T355-W358 PolarHBondContact O-N 3.43Å; T355-M359 WeakPolarHBondContact O-CG 3.29Å; T355-M359 PolarHBondContact O-N 3.47Å; T355-V392 HydrophobicContact CG2-CG1 4.06Å; T355-V392 HydrophobicContact CG2-CG2 4.26Å
356S96.6Very high94Very high3 Ų358.9 Ų58.92%0.02130%0.298CS..Hα-helixtrans-66.2-41.8178.669.40000112.9I352 K353 M359 V360I352-S356 WeakPolarHBondContact O-CB 3.18Å; I352-S356 PolarHBondContact O-N 3.12Å; I352-S356 PolarHBondContact O-OG 3.08Å; K353-S356 WeakPolarHBondContact CA-OG 3.41Å; K353-S356 PolarHBondContact O-N 3.29Å; K353-S356 VanDerWaalsContact O-N 3.09Å; K353-S356 PolarHBondContact O-OG 3.4Å; S356-M359 WeakPolarHBondContact O-CB 3.36Å; S356-M359 PolarHBondContact O-N 3.15Å; S356-V360 WeakPolarHBondContact O-CG2 3.27Å; S356-V360 PolarHBondContact O-N 3.24Å
357E95Very high94.2Very high95 Ų9562 Ų6244%0.44431%0.311SS..Hα-helixtrans-62.3-46.2176.1-73.5172.2165.800110.7K353 M359 V360 E361K353-E357 WeakPolarHBondContact CE-OE1 3.29Å; K353-E357 HydrophobicContact CG-CG 4.35Å; K353-E357 WeakPolarHBondContact O-CG 3.43Å; K353-E357 PolarHBondContact O-N 2.88Å; E357-M359 VanDerWaalsContact C-N 3.31Å; E357-M359 PolarHBondContact O-N 3.31Å; E357-V360 PolarHBondContact O-N 3.4Å; E357-V360 VanDerWaalsContact O-N 3.08Å; E357-E361 WeakPolarHBondContact O-CG 3.36Å; E357-E361 PolarHBondContact O-N 3.28Å
358W95.6Very high94.7Very high38 Ų3861.4 Ų61.414%0.14431%0.312CS..Hα-helixtrans-60.5-39.4176.5-171.595.1000112.3K334 L337 F338 M341 S354 T355 E361 N362 L369K334-W358 HydrophobicContact CB-CH2 4.05Å; K334-W358 HydrophobicContact CB-CZ2 4.27Å; K334-W358 HydrophobicContact CG-CZ2 4.44Å; K334-W358 VanDerWaalsContact O-CH2 3.27Å; K334-W358 WeakPolarHBondContact O-CH2 3.46Å; L337-W358 HydrophobicContact CD2-CZ2 4.14Å; F338-W358 HydrophobicContact CB-CE3 4.36Å; F338-W358 HydrophobicContact CB-CH2 3.79Å; F338-W358 HydrophobicContact CB-CZ3 3.59Å; F338-W358 AromaticContact CD2-CE3 3.7Å; F338-W358 HydrophobicContact CD2-CE3 3.7Å; F338-W358 AromaticContact CD2-CZ3 3.62Å; F338-W358 HydrophobicContact CD2-CZ3 3.62Å; F338-W358 HydrophobicContact CE2-CE3 4.46Å; F338-W358 HydrophobicContact CG-CE3 4.34Å; F338-W358 HydrophobicContact CG-CH2 4.48Å; F338-W358 AromaticContact CG-CZ3 3.79Å; F338-W358 HydrophobicContact CG-CZ3 3.79Å; M341-W358 HydrophobicContact CE-CB 3.9Å; M341-W358 HydrophobicContact CE-CG 4.14Å; M341-W358 HydrophobicContact SD-CB 4.23Å; M341-W358 HydrophobicContact SD-CD2 3.99Å; M341-W358 HydrophobicContact SD-CE3 4.48Å; M341-W358 HydrophobicContact SD-CG 3.85Å; S354-W358 WeakPolarHBondContact O-CB 3.47Å; S354-W358 PolarHBondContact O-N 2.99Å; S354-W358 VanDerWaalsContact O-N 3.07Å; T355-W358 PolarHBondContact O-N 3.43Å; W358-E361 PolarHBondContact O-N 3.47Å; W358-N362 HydrophobicContact CH2-CB 4.43Å; W358-N362 HydrophobicContact CZ3-CB 4.31Å; W358-N362 PolarHBondContact O-N 3.13Å; W358-N362 PolarHBondContact O-ND2 2.69Å; W358-L369 HydrophobicContact CH2-CD2 4.19Å; W358-L369 HydrophobicContact CZ3-CD1 4.02Å; W358-L369 HydrophobicContact CZ3-CD2 3.7Å
359M96.8Very high94.9Very high0 Ų059 Ų590%030%0.295CS..Hα-helixtrans-61.7-47.2172.4-72.8-178.273.900111.1F338 T355 S356 E357 E361 N362 G363 L369 V370 V392 V396 Y407 F411F338-M359 HydrophobicContact CD2-CG 4.19Å; F338-M359 HydrophobicContact CE2-CG 3.35Å; F338-M359 HydrophobicContact CE2-SD 3.62Å; F338-M359 HydrophobicContact CZ-CE 3.93Å; F338-M359 HydrophobicContact CZ-CG 3.73Å; F338-M359 HydrophobicContact CZ-SD 3.47Å; F338-M359 WeakPolarHBondContact CZ-SD 3.48Å; T355-M359 WeakPolarHBondContact O-CG 3.29Å; T355-M359 PolarHBondContact O-N 3.47Å; S356-M359 WeakPolarHBondContact O-CB 3.36Å; S356-M359 PolarHBondContact O-N 3.15Å; E357-M359 VanDerWaalsContact C-N 3.31Å; E357-M359 PolarHBondContact O-N 3.31Å; M359-E361 VanDerWaalsContact C-N 3.29Å; M359-E361 PolarHBondContact O-N 3.2Å; M359-N362 CarbonylContact O-C 3.29Å; M359-N362 VanDerWaalsContact O-C 3.29Å; M359-N362 PolarHBondContact O-N 2.83Å; M359-N362 VanDerWaalsContact O-N 3.08Å; M359-G363 PolarHBondContact O-N 3.38Å; M359-L369 HydrophobicContact CE-CB 4.15Å; M359-V370 HydrophobicContact CE-CG2 4.41Å; M359-V392 HydrophobicContact SD-CG1 3.68Å; M359-V396 HydrophobicContact CB-CG2 3.91Å; M359-V396 HydrophobicContact CE-CG2 4.45Å; M359-V396 HydrophobicContact SD-CG2 3.93Å; M359-Y407 VanDerWaalsContact C-OH 3.31Å; M359-Y407 HydrophobicContact CE-CE1 3.83Å; M359-Y407 WeakPolarHBondContact O-CE2 3.29Å; M359-Y407 PolarHBondContact O-OH 3.37Å; M359-F411 HydrophobicContact CE-CE2 4.18Å; M359-F411 HydrophobicContact CE-CZ 3.74Å
360V94.9Very high95.2Very high26 Ų2654.8 Ų54.816%0.15827%0.265CS..Hα-helixtrans-60.6-39.9-179.2170.90000111.6S356 E357 N362 G363 V396 T399 S403S356-V360 WeakPolarHBondContact O-CG2 3.27Å; S356-V360 PolarHBondContact O-N 3.24Å; E357-V360 PolarHBondContact O-N 3.4Å; E357-V360 VanDerWaalsContact O-N 3.08Å; V360-N362 VanDerWaalsContact C-N 3.29Å; V360-N362 PolarHBondContact O-N 2.95Å; V360-G363 PolarHBondContact O-N 2.92Å; V360-V396 HydrophobicContact CG2-CG1 4.15Å; V360-V396 HydrophobicContact CG2-CG2 4.43Å; V360-T399 HydrophobicContact CG1-CG2 3.97Å; V360-T399 HydrophobicContact CG2-CG2 3.91Å; V360-S403 PolarHBondContact O-OG 2.98Å
361E92.4Very high95.4Very high153 Ų15348.8 Ų48.872%0.71526%0.255SS*.Hα-helixtrans-63.1-32.7175-73177.9176.800113E357 W358 M359E357-E361 WeakPolarHBondContact O-CG 3.36Å; E357-E361 PolarHBondContact O-N 3.28Å; W358-E361 PolarHBondContact O-N 3.47Å; M359-E361 VanDerWaalsContact C-N 3.29Å; M359-E361 PolarHBondContact O-N 3.2Å
362N94Very high95.6Very high18 Ų1846.6 Ų46.610%0.09625%0.246CC..THydrogen-bonded Turntrans-102.137.8178.3-65.6-84.1000112K334 W358 M359 V360 D364 M365 L369 Y407K334-N362 WeakPolarHBondContact CD-OD1 3.42Å; K334-N362 WeakPolarHBondContact CE-OD1 3.49Å; K334-N362 PolarHBondContact NZ-OD1 3.38Å; W358-N362 HydrophobicContact CH2-CB 4.43Å; W358-N362 HydrophobicContact CZ3-CB 4.31Å; W358-N362 PolarHBondContact O-N 3.13Å; W358-N362 PolarHBondContact O-ND2 2.69Å; M359-N362 CarbonylContact O-C 3.29Å; M359-N362 VanDerWaalsContact O-C 3.29Å; M359-N362 PolarHBondContact O-N 2.83Å; M359-N362 VanDerWaalsContact O-N 3.08Å; V360-N362 VanDerWaalsContact C-N 3.29Å; V360-N362 PolarHBondContact O-N 2.95Å; N362-D364 WeakPolarHBondContact CA-OD1 3.37Å; N362-D364 PolarHBondContact O-N 2.86Å; N362-M365 PolarHBondContact O-N 3.48Å; N362-L369 HydrophobicContact CB-CD1 3.86Å; N362-L369 WeakPolarHBondContact O-CD1 3.37Å; N362-Y407 PolarHBondContact O-OH 3.44Å
363G92.9Very high95.6Very high14 Ų1445.8 Ų45.814%0.14424%0.242CC..G310 helixtrans-64-17-17700000115.3M359 V360 M365 C366M359-G363 PolarHBondContact O-N 3.38Å; V360-G363 PolarHBondContact O-N 2.92Å; G363-M365 PolarHBondContact O-N 3.16Å; G363-C366 WeakPolarHBondContact O-CB 3.42Å; G363-C366 PolarHBondContact O-N 3.13Å; G363-C366 PolarHBondContact O-SG 3.04Å
364D92.8Very high95.7Very high118 Ų11844.3 Ų44.363%0.63124%0.236SC*.G310 helixtrans-59.8-29.3168.857.7-40.5000112.2K334 N362K334-D364 IonicContact NZ-OD2 3.69Å; N362-D364 WeakPolarHBondContact CA-OD1 3.37Å; N362-D364 PolarHBondContact O-N 2.86Å
365M94.2Very high95.9Very high2 Ų246.5 Ų46.51%0.0124%0.239CC..G310 helixtrans-100.115.6179.9-61.7-174.467.600113.8N331 K334 L335 N362 G363 N367 Q368 L369N331-M365 HydrophobicContact CB-CE 3.56Å; N331-M365 HydrophobicContact CB-SD 4.23Å; N331-M365 PolarHBondContact OD1-SD 2.87Å; N331-M365 VanDerWaalsContact OD1-SD 3.37Å; K334-M365 HydrophobicContact CB-CE 4.35Å; K334-M365 HydrophobicContact CB-SD 3.89Å; K334-M365 HydrophobicContact CD-SD 3.42Å; K334-M365 WeakPolarHBondContact CD-SD 3.48Å; K334-M365 HydrophobicContact CG-SD 4.33Å; L335-M365 HydrophobicContact CD1-CE 4.07Å; L335-M365 HydrophobicContact CD2-CE 4.26Å; L335-M365 HydrophobicContact CG-CE 3.75Å; N362-M365 PolarHBondContact O-N 3.48Å; G363-M365 PolarHBondContact O-N 3.16Å; M365-N367 VanDerWaalsContact C-N 3.25Å; M365-N367 PolarHBondContact O-N 3Å; M365-Q368 VanDerWaalsContact CA-OE1 3.29Å; M365-Q368 VanDerWaalsContact CB-OE1 3.23Å; M365-Q368 HydrophobicContact CE-CB 4.5Å; M365-Q368 PolarHBondContact O-N 3.39Å; M365-L369 HydrophobicContact CB-CD1 4.02Å; M365-L369 HydrophobicContact CB-CG 3.94Å; M365-L369 WeakPolarHBondContact O-CG 3.37Å; M365-L369 PolarHBondContact O-N 3.36Å
366C95.4Very high95.8Very high14 Ų1446.3 Ų46.310%0.09524%0.238CC..Hα-helixtrans-50.9-39.4-168.558.30000114.4G363 V370 Y407G363-C366 WeakPolarHBondContact O-CB 3.42Å; G363-C366 PolarHBondContact O-N 3.13Å; G363-C366 PolarHBondContact O-SG 3.04Å; C366-V370 WeakPolarHBondContact O-CB 3.46Å; C366-V370 VanDerWaalsContact O-CG2 3.23Å; C366-V370 WeakPolarHBondContact O-CG2 3.27Å; C366-V370 PolarHBondContact O-N 3.13Å; C366-Y407 HydrophobicContact CB-CD1 3.69Å; C366-Y407 HydrophobicContact CB-CD2 4.15Å; C366-Y407 HydrophobicContact CB-CE1 3.43Å; C366-Y407 VanDerWaalsContact CB-CE1 3.43Å; C366-Y407 HydrophobicContact CB-CE2 3.95Å; C366-Y407 HydrophobicContact CB-CG 4.02Å
367N96.5Very high95.8Very high113 Ų11346.2 Ų46.260%0.60424%0.237SC*.Hα-helixtrans-66.2-43.2177.3-69.2-38.4000112.8M365 S371M365-N367 VanDerWaalsContact C-N 3.25Å; M365-N367 PolarHBondContact O-N 3Å; N367-S371 VanDerWaalsContact O-CB 3.3Å; N367-S371 WeakPolarHBondContact O-CB 3.3Å; N367-S371 PolarHBondContact O-N 3.23Å
368Q97.1Very high95.9Very high86 Ų8645.8 Ų45.840%0.40223%0.234SC..Hα-helixtrans-70.1-41.2179.9-61.1126.8-6.800110.6L335 M365 S371 Q372L335-Q368 HydrophobicContact CD1-CB 4.27Å; L335-Q368 HydrophobicContact CD2-CB 3.89Å; M365-Q368 VanDerWaalsContact CA-OE1 3.29Å; M365-Q368 VanDerWaalsContact CB-OE1 3.23Å; M365-Q368 HydrophobicContact CE-CB 4.5Å; M365-Q368 PolarHBondContact O-N 3.39Å; Q368-S371 WeakPolarHBondContact O-CB 3.45Å; Q368-S371 PolarHBondContact O-N 3.05Å; Q368-Q372 WeakPolarHBondContact O-CB 3.13Å; Q368-Q372 PolarHBondContact O-N 3.04Å
369L97.5Very high95.8Very high0 Ų048.4 Ų48.40%025%0.248CC..Hα-helixtrans-65.2-43.7177.6-63.8178.6000111.8L335 F338 W358 M359 N362 M365 S371 Q372 W373 Y407L335-L369 HydrophobicContact CD2-CD2 3.98Å; F338-L369 HydrophobicContact CB-CD2 4Å; F338-L369 HydrophobicContact CD1-CB 4.47Å; F338-L369 HydrophobicContact CD1-CD2 3.57Å; F338-L369 HydrophobicContact CD2-CD2 4.42Å; F338-L369 HydrophobicContact CE1-CB 4.19Å; F338-L369 HydrophobicContact CE1-CD2 4.13Å; F338-L369 VanDerWaalsContact CE1-O 3.28Å; F338-L369 WeakPolarHBondContact CE1-O 3.38Å; F338-L369 HydrophobicContact CG-CD2 3.73Å; W358-L369 HydrophobicContact CH2-CD2 4.19Å; W358-L369 HydrophobicContact CZ3-CD1 4.02Å; W358-L369 HydrophobicContact CZ3-CD2 3.7Å; M359-L369 HydrophobicContact CE-CB 4.15Å; N362-L369 HydrophobicContact CB-CD1 3.86Å; N362-L369 WeakPolarHBondContact O-CD1 3.37Å; M365-L369 HydrophobicContact CB-CD1 4.02Å; M365-L369 HydrophobicContact CB-CG 3.94Å; M365-L369 WeakPolarHBondContact O-CG 3.37Å; M365-L369 PolarHBondContact O-N 3.36Å; L369-S371 VanDerWaalsContact C-N 3.33Å; L369-S371 PolarHBondContact O-N 3.26Å; L369-Q372 PolarHBondContact O-N 3.18Å; L369-W373 WeakPolarHBondContact O-CB 3.43Å; L369-W373 PolarHBondContact O-N 3.3Å; L369-Y407 VanDerWaalsContact CD1-OH 3.3Å; L369-Y407 WeakPolarHBondContact CD1-OH 3.46Å
370V97.7Very high95.4Very high6 Ų652.1 Ų52.14%0.03626%0.264CS..Hα-helixtrans-67.6-34.7175.5172.80000111.9M359 C366 W373 K374 Y407 A410 F411 A414M359-V370 HydrophobicContact CE-CG2 4.41Å; C366-V370 WeakPolarHBondContact O-CB 3.46Å; C366-V370 VanDerWaalsContact O-CG2 3.23Å; C366-V370 WeakPolarHBondContact O-CG2 3.27Å; C366-V370 PolarHBondContact O-N 3.13Å; V370-W373 PolarHBondContact O-N 3.34Å; V370-K374 WeakPolarHBondContact O-CB 3.38Å; V370-K374 PolarHBondContact O-N 3.18Å; V370-Y407 HydrophobicContact CG2-CD1 3.78Å; V370-Y407 HydrophobicContact CG2-CE1 3.99Å; V370-A410 HydrophobicContact CB-CB 3.93Å; V370-A410 HydrophobicContact CG1-CB 4.08Å; V370-A410 HydrophobicContact CG2-CB 3.78Å; V370-F411 HydrophobicContact CG1-CD1 3.99Å; V370-F411 HydrophobicContact CG1-CE1 4.23Å; V370-F411 HydrophobicContact CG1-CG 4.4Å; V370-F411 HydrophobicContact CG2-CD1 4.12Å; V370-F411 HydrophobicContact CG2-CD2 3.92Å; V370-F411 HydrophobicContact CG2-CE1 3.96Å; V370-F411 HydrophobicContact CG2-CE2 3.75Å; V370-F411 HydrophobicContact CG2-CG 4.11Å; V370-F411 HydrophobicContact CG2-CZ 3.79Å; V370-A414 HydrophobicContact CG1-CB 3.52Å
371S97.4Very high94.8Very high79 Ų7955.3 Ų55.355%0.55229%0.285SS*.Hα-helixtrans-63-46.2172.7-170.70000111.6N367 Q368 L369 K374 H375N367-S371 VanDerWaalsContact O-CB 3.3Å; N367-S371 WeakPolarHBondContact O-CB 3.3Å; N367-S371 PolarHBondContact O-N 3.23Å; Q368-S371 WeakPolarHBondContact O-CB 3.45Å; Q368-S371 PolarHBondContact O-N 3.05Å; L369-S371 VanDerWaalsContact C-N 3.33Å; L369-S371 PolarHBondContact O-N 3.26Å; S371-K374 PolarHBondContact O-N 3.45Å; S371-H375 WeakPolarHBondContact O-CB 3.28Å; S371-H375 PolarHBondContact O-N 3.35Å
372Q97.6Very high94.9Very high38 Ų3850.7 Ų50.718%0.17827%0.27CS..Hα-helixtrans-64.3-41176.2-175.357.94700111.8L335 F338 L342 Q368 L369 K374 H375 S376L335-Q372 HydrophobicContact CD2-CB 4.37Å; F338-Q372 HydrophobicContact CD1-CB 4.07Å; F338-Q372 HydrophobicContact CD1-CG 3.91Å; F338-Q372 HydrophobicContact CE1-CB 4.16Å; F338-Q372 HydrophobicContact CE1-CG 4.28Å; L342-Q372 HydrophobicContact CD1-CG 4.34Å; Q368-Q372 WeakPolarHBondContact O-CB 3.13Å; Q368-Q372 PolarHBondContact O-N 3.04Å; L369-Q372 PolarHBondContact O-N 3.18Å; Q372-K374 VanDerWaalsContact C-N 3.35Å; Q372-K374 PolarHBondContact O-N 3.16Å; Q372-H375 PolarHBondContact O-N 2.99Å; Q372-S376 PolarHBondContact NE2-OG 2.96Å; Q372-S376 WeakPolarHBondContact O-CB 3.46Å; Q372-S376 PolarHBondContact O-N 3.35Å; Q372-S376 PolarHBondContact O-OG 2.76Å
373W97.8Very high94.8Very high0 Ų051.8 Ų51.80%028%0.279CS..Hα-helixtrans-56.6-48.9172.6171.894000111.2F338 L342 L369 V370 H375 S376 L377 M389 A393 F411 A414 L415 I422F338-W373 HydrophobicContact CE1-CB 4.39Å; F338-W373 HydrophobicContact CZ-CB 4.44Å; L342-W373 HydrophobicContact CD1-CB 4.43Å; L369-W373 WeakPolarHBondContact O-CB 3.43Å; L369-W373 PolarHBondContact O-N 3.3Å; V370-W373 PolarHBondContact O-N 3.34Å; W373-H375 VanDerWaalsContact C-N 3.34Å; W373-H375 PolarHBondContact O-N 2.89Å; W373-S376 PolarHBondContact O-N 3.37Å; W373-L377 HydrophobicContact CH2-CD2 3.95Å; W373-L377 HydrophobicContact CZ2-CD2 4.31Å; W373-L377 HydrophobicContact CZ3-CD2 4.32Å; W373-L377 WeakPolarHBondContact O-CB 3.29Å; W373-L377 PolarHBondContact O-N 3.48Å; W373-M389 HydrophobicContact CB-CE 4.27Å; W373-M389 HydrophobicContact CD2-CE 4.16Å; W373-M389 HydrophobicContact CG-CE 3.66Å; W373-M389 HydrophobicContact CZ2-CB 4.29Å; W373-M389 WeakPolarHBondContact CZ2-O 3.38Å; W373-M389 PolarHBondContact NE1-O 3.36Å; W373-M389 WeakPolarHBondContact O-CE 3.46Å; W373-A393 HydrophobicContact CH2-CB 4.46Å; W373-A393 HydrophobicContact CZ2-CB 3.84Å; W373-F411 AromaticContact CD2-CE1 3.79Å; W373-F411 HydrophobicContact CD2-CE1 3.79Å; W373-F411 HydrophobicContact CE3-CD1 4.34Å; W373-F411 AromaticContact CE3-CE1 3.92Å; W373-F411 HydrophobicContact CE3-CE1 3.92Å; W373-F411 HydrophobicContact CG-CE1 4.19Å; W373-F411 HydrophobicContact CZ2-CE1 4.41Å; W373-F411 HydrophobicContact CZ3-CD1 4.38Å; W373-F411 HydrophobicContact CZ3-CE1 4.32Å; W373-A414 HydrophobicContact CE3-CB 4.28Å; W373-A414 HydrophobicContact CZ3-CB 3.94Å; W373-L415 HydrophobicContact CH2-CD2 4.18Å; W373-I422 HydrophobicContact CH2-CD1 4.18Å
374K97.1Very high94.8Very high66 Ų6656.6 Ų56.629%0.28730%0.298SS..Hα-helixtrans-61.4-44.4178.2177.4-179.7167176.70110.9V370 S371 Q372 L377 F378 A414 T417V370-K374 WeakPolarHBondContact O-CB 3.38Å; V370-K374 PolarHBondContact O-N 3.18Å; S371-K374 PolarHBondContact O-N 3.45Å; Q372-K374 VanDerWaalsContact C-N 3.35Å; Q372-K374 PolarHBondContact O-N 3.16Å; K374-L377 WeakPolarHBondContact O-CB 3.33Å; K374-L377 PolarHBondContact O-N 2.91Å; K374-F378 HydrophobicContact CG-CD2 4.24Å; K374-F378 HydrophobicContact CG-CE2 3.78Å; K374-F378 WeakPolarHBondContact O-CD2 3.34Å; K374-F378 PolarHBondContact O-N 3.37Å; K374-A414 HydrophobicContact CD-CB 4.44Å; K374-T417 WeakPolarHBondContact CE-OG1 3.31Å; K374-T417 PolarHBondContact NZ-OG1 3.36Å
375H96.7Very high94.9Very high103 Ų10351.5 Ų51.548%0.47727%0.27SS..Hα-helixtrans-62.7-47.9179.3-171.768.8000111.9S371 Q372 W373 L377 F378 Q379S371-H375 WeakPolarHBondContact O-CB 3.28Å; S371-H375 PolarHBondContact O-N 3.35Å; Q372-H375 PolarHBondContact O-N 2.99Å; W373-H375 VanDerWaalsContact C-N 3.34Å; W373-H375 PolarHBondContact O-N 2.89Å; H375-L377 VanDerWaalsContact C-N 3.3Å; H375-L377 PolarHBondContact O-N 3.18Å; H375-F378 PolarHBondContact O-N 3.39Å; H375-Q379 PolarHBondContact CD2-NE2 3.42Å; H375-Q379 PolarHBondContact NE2-NE2 3.01Å; H375-Q379 PolarHBondContact O-N 3.44Å
376S96.7Very high95Very high1 Ų151.4 Ų51.41%0.00727%0.269CS..Hα-helixtrans-61.9-36178.5-63.30000112.7L342 Q372 W373 F378 Q379 K380 Y385L342-S376 WeakPolarHBondContact CD1-OG 3.45Å; Q372-S376 PolarHBondContact NE2-OG 2.96Å; Q372-S376 WeakPolarHBondContact O-CB 3.46Å; Q372-S376 PolarHBondContact O-N 3.35Å; Q372-S376 PolarHBondContact O-OG 2.76Å; W373-S376 PolarHBondContact O-N 3.37Å; S376-F378 VanDerWaalsContact C-N 3.28Å; S376-F378 PolarHBondContact O-N 3.26Å; S376-Q379 PolarHBondContact O-N 3.4Å; S376-Q379 VanDerWaalsContact O-N 3.15Å; S376-K380 PolarHBondContact O-N 2.75Å; S376-Y385 WeakPolarHBondContact O-CE1 3.49Å
377L96.3Very high95Very high0 Ų051 Ų510%027%0.266CS..Hα-helixtrans-57-40.7176.6176.263.6000112.2W373 K374 H375 A386 M389 F421 I422W373-L377 HydrophobicContact CH2-CD2 3.95Å; W373-L377 HydrophobicContact CZ2-CD2 4.31Å; W373-L377 HydrophobicContact CZ3-CD2 4.32Å; W373-L377 WeakPolarHBondContact O-CB 3.29Å; W373-L377 PolarHBondContact O-N 3.48Å; K374-L377 WeakPolarHBondContact O-CB 3.33Å; K374-L377 PolarHBondContact O-N 2.91Å; H375-L377 VanDerWaalsContact C-N 3.3Å; H375-L377 PolarHBondContact O-N 3.18Å; L377-A386 HydrophobicContact CD1-CB 3.96Å; L377-M389 HydrophobicContact CB-CE 4.08Å; L377-M389 HydrophobicContact CD1-CB 3.91Å; L377-M389 HydrophobicContact CD1-CG 4.14Å; L377-F421 HydrophobicContact CD1-CD1 4.14Å; L377-F421 HydrophobicContact CD1-CE1 3.97Å; L377-F421 HydrophobicContact CD2-CD1 4.42Å; L377-F421 HydrophobicContact CG-CD1 3.95Å; L377-F421 HydrophobicContact CG-CE1 3.98Å; L377-F421 WeakPolarHBondContact O-CE1 3.13Å; L377-I422 HydrophobicContact CD1-CG1 4.19Å; L377-I422 HydrophobicContact CD2-CD1 3.81Å; L377-I422 HydrophobicContact CD2-CG1 3.75Å
378F95.6Very high95Very high87 Ų8745.6 Ų45.638%0.38224%0.237SC..Hα-helixtrans-79.9-19.4179-68.4-68000113.9K374 H375 S376 F421K374-F378 HydrophobicContact CG-CD2 4.24Å; K374-F378 HydrophobicContact CG-CE2 3.78Å; K374-F378 WeakPolarHBondContact O-CD2 3.34Å; K374-F378 PolarHBondContact O-N 3.37Å; H375-F378 PolarHBondContact O-N 3.39Å; S376-F378 VanDerWaalsContact C-N 3.28Å; S376-F378 PolarHBondContact O-N 3.26Å; F378-F421 HydrophobicContact CD1-CD1 4.24Å; F378-F421 HydrophobicContact CD1-CD2 4.05Å; F378-F421 HydrophobicContact CD1-CE1 4.46Å; F378-F421 HydrophobicContact CD1-CE2 4.26Å; F378-F421 HydrophobicContact CD1-CG 4.01Å; F378-F421 HydrophobicContact CD1-CZ 4.43Å; F378-F421 HydrophobicContact CE1-CB 3.79Å; F378-F421 HydrophobicContact CE1-CD1 4.24Å; F378-F421 HydrophobicContact CE1-CD2 4.1Å; F378-F421 AromaticContact CE1-CG 3.79Å; F378-F421 HydrophobicContact CE1-CG 3.79Å
379Q94.1Very high95Very high92 Ų9241.5 Ų41.543%0.4322%0.218SC..Hα-helixtrans-75.9-29.4179.3-72.5-175-13.300113.5H375 S376 P381H375-Q379 PolarHBondContact CD2-NE2 3.42Å; H375-Q379 PolarHBondContact NE2-NE2 3.01Å; H375-Q379 PolarHBondContact O-N 3.44Å; S376-Q379 PolarHBondContact O-N 3.4Å; S376-Q379 VanDerWaalsContact O-N 3.15Å; Q379-P381 WeakPolarHBondContact O-CD 3.46Å
380K88.1Confident95Very high79 Ų7941.5 Ų41.534%0.34322%0.218SC..  trans-122.586.9-177-65.1-171.7-174.9-170.70110.6N343 S376 S382 Y385N343-K380 PolarHBondContact O-NZ 3.45Å; N343-K380 WeakPolarHBondContact OD1-CE 3.49Å; N343-K380 PolarHBondContact OD1-NZ 3.41Å; S376-K380 PolarHBondContact O-N 2.75Å; K380-S382 PolarHBondContact O-N 2.95Å; K380-Y385 HydrophobicContact CB-CD1 3.66Å; K380-Y385 HydrophobicContact CB-CE1 3.85Å; K380-Y385 HydrophobicContact CB-CG 4.1Å; K380-Y385 HydrophobicContact CD-CD2 4.43Å; K380-Y385 HydrophobicContact CD-CE1 4.43Å; K380-Y385 HydrophobicContact CD-CE2 4.18Å; K380-Y385 WeakPolarHBondContact O-CD1 3.47Å
381P83.9Confident95Very high93 Ų9342.2 Ų42.260%0.60422%0.223SC*.  trans-78.247.9-174.534.4-38000113.4Q379 F421Q379-P381 WeakPolarHBondContact O-CD 3.46Å; P381-F421 HydrophobicContact CB-CE2 4.16Å; P381-F421 HydrophobicContact CB-CZ 3.79Å
382S93.3Very high95Very high55 Ų5538.5 Ų38.539%0.38520%0.197SC..  trans-95.3140.1172.594.50000110.8K380 E384 Y385 A386K380-S382 PolarHBondContact O-N 2.95Å; S382-E384 PolarHBondContact O-N 3.46Å; S382-Y385 PolarHBondContact O-N 2.96Å; S382-Y385 WeakPolarHBondContact OG-CB 3.39Å; S382-Y385 PolarHBondContact OG-N 2.91Å; S382-Y385 VanDerWaalsContact OG-N 3.08Å; S382-A386 WeakPolarHBondContact O-CB 3.43Å; S382-A386 PolarHBondContact O-N 3.19Å
383S91.5Very high95Very high42 Ų4236.7 Ų36.729%0.29419%0.188SC..Hα-helixtrans-58.9-33.817974.20000112.7I387 T425S383-I387 WeakPolarHBondContact O-CG1 3.5Å; S383-I387 PolarHBondContact O-N 3.23Å; S383-T425 WeakPolarHBondContact CA-O 3.41Å; S383-T425 WeakPolarHBondContact CB-O 3.37Å
384E93.4Very high94.9Very high115 Ų11537.6 Ų37.654%0.53719%0.193SC..Hα-helixtrans-73.7-42.4179.9-61.8-167155.800111.7R347 S382 I387 A388R347-E384 HydrophobicContact CG-CB 4.28Å; S382-E384 PolarHBondContact O-N 3.46Å; E384-I387 PolarHBondContact O-N 3Å; E384-A388 PolarHBondContact O-N 3.09Å
385Y95.2Very high94.9Very high11 Ų1137.9 Ų37.94%0.04320%0.195CC..Hα-helixtrans-65.7-47.1177.8-172.7-102.6000111.3L342 L345 S376 K380 S382 I387 A388 M389L342-Y385 WeakPolarHBondContact O-CE2 3.41Å; L342-Y385 PolarHBondContact O-OH 3.34Å; L345-Y385 HydrophobicContact CB-CE2 4.01Å; S376-Y385 WeakPolarHBondContact O-CE1 3.49Å; K380-Y385 HydrophobicContact CB-CD1 3.66Å; K380-Y385 HydrophobicContact CB-CE1 3.85Å; K380-Y385 HydrophobicContact CB-CG 4.1Å; K380-Y385 HydrophobicContact CD-CD2 4.43Å; K380-Y385 HydrophobicContact CD-CE1 4.43Å; K380-Y385 HydrophobicContact CD-CE2 4.18Å; K380-Y385 WeakPolarHBondContact O-CD1 3.47Å; S382-Y385 PolarHBondContact O-N 2.96Å; S382-Y385 WeakPolarHBondContact OG-CB 3.39Å; S382-Y385 PolarHBondContact OG-N 2.91Å; S382-Y385 VanDerWaalsContact OG-N 3.08Å; Y385-I387 VanDerWaalsContact C-N 3.26Å; Y385-I387 PolarHBondContact O-N 2.94Å; Y385-A388 PolarHBondContact O-N 3.01Å; Y385-A388 VanDerWaalsContact O-N 3.11Å; Y385-M389 HydrophobicContact CD1-CG 3.88Å; Y385-M389 HydrophobicContact CE1-CE 4.44Å; Y385-M389 HydrophobicContact CE1-CG 3.59Å; Y385-M389 HydrophobicContact CE1-SD 4.04Å; Y385-M389 HydrophobicContact CE2-CG 4.45Å; Y385-M389 HydrophobicContact CE2-SD 4.48Å; Y385-M389 HydrophobicContact CG-CG 4.43Å; Y385-M389 WeakPolarHBondContact O-CB 3.35Å; Y385-M389 VanDerWaalsContact O-CG 3.23Å; Y385-M389 WeakPolarHBondContact O-CG 3.48Å; Y385-M389 PolarHBondContact O-N 2.99Å
386A95.4Very high94.9Very high0 Ų033 Ų330%017%0.172CC..Hα-helixtrans-57.7-39.517800000112.4L377 S382 F390 T425L377-A386 HydrophobicContact CD1-CB 3.96Å; S382-A386 WeakPolarHBondContact O-CB 3.43Å; S382-A386 PolarHBondContact O-N 3.19Å; A386-F390 WeakPolarHBondContact O-CB 3.48Å; A386-F390 PolarHBondContact O-N 3.33Å; A386-T425 VanDerWaalsContact CB-OG1 3.29Å; A386-T425 WeakPolarHBondContact CB-OG1 3.39Å
387I95.9Very high94.9Very high5 Ų533 Ų333%0.02617%0.172CC..Hα-helixtrans-70-43.2174.6-72.4-60.6000112.4S383 E384 Y385 M389 F390 C391 S426 N430 L433 I434S383-I387 WeakPolarHBondContact O-CG1 3.5Å; S383-I387 PolarHBondContact O-N 3.23Å; E384-I387 PolarHBondContact O-N 3Å; Y385-I387 VanDerWaalsContact C-N 3.26Å; Y385-I387 PolarHBondContact O-N 2.94Å; I387-M389 VanDerWaalsContact C-N 3.27Å; I387-M389 PolarHBondContact O-N 2.95Å; I387-F390 WeakPolarHBondContact O-CB 3.47Å; I387-F390 PolarHBondContact O-N 3.2Å; I387-C391 PolarHBondContact O-N 3.44Å; I387-C391 PolarHBondContact O-SG 3.36Å; I387-S426 WeakPolarHBondContact CD1-OG 3.25Å; I387-S426 WeakPolarHBondContact CG1-OG 3.36Å; I387-N430 HydrophobicContact CD1-CB 3.58Å; I387-N430 HydrophobicContact CG1-CB 3.76Å; I387-N430 WeakPolarHBondContact CG1-ND2 3.42Å; I387-L433 HydrophobicContact CG2-CD2 3.93Å; I387-I434 HydrophobicContact CD1-CD1 3.84Å; I387-I434 HydrophobicContact CD1-CG1 3.97Å
388A96.5Very high94.8Very high0 Ų035 Ų350%018%0.182CC..Hα-helixtrans-59.5-42.1175.700000111.2L345 S346 I352 E384 Y385 C391 V392L345-A388 HydrophobicContact CD2-CB 3.91Å; L345-A388 HydrophobicContact CG-CB 3.94Å; S346-A388 WeakPolarHBondContact O-CB 3.27Å; I352-A388 HydrophobicContact CD1-CB 4.38Å; I352-A388 HydrophobicContact CG1-CB 4.42Å; E384-A388 PolarHBondContact O-N 3.09Å; Y385-A388 PolarHBondContact O-N 3.01Å; Y385-A388 VanDerWaalsContact O-N 3.11Å; A388-C391 PolarHBondContact O-N 2.96Å; A388-V392 WeakPolarHBondContact O-CG2 3.5Å; A388-V392 PolarHBondContact O-N 3.46Å
389M97.4Very high94.6Very high0 Ų033.1 Ų33.10%018%0.178CC..Hα-helixtrans-61.2-43.8174.2-69.4-65.1-8100112.2L342 L345 W373 L377 Y385 I387 V392 A393L342-M389 HydrophobicContact CD1-CE 4.23Å; L342-M389 HydrophobicContact CD2-CE 4.07Å; L342-M389 HydrophobicContact CD2-SD 3.73Å; L345-M389 HydrophobicContact CD2-CG 4.08Å; L345-M389 HydrophobicContact CD2-SD 3.48Å; L345-M389 WeakPolarHBondContact CD2-SD 3.42Å; W373-M389 HydrophobicContact CB-CE 4.27Å; W373-M389 HydrophobicContact CD2-CE 4.16Å; W373-M389 HydrophobicContact CG-CE 3.66Å; W373-M389 HydrophobicContact CZ2-CB 4.29Å; W373-M389 WeakPolarHBondContact CZ2-O 3.38Å; W373-M389 PolarHBondContact NE1-O 3.36Å; W373-M389 WeakPolarHBondContact O-CE 3.46Å; L377-M389 HydrophobicContact CB-CE 4.08Å; L377-M389 HydrophobicContact CD1-CB 3.91Å; L377-M389 HydrophobicContact CD1-CG 4.14Å; Y385-M389 HydrophobicContact CD1-CG 3.88Å; Y385-M389 HydrophobicContact CE1-CE 4.44Å; Y385-M389 HydrophobicContact CE1-CG 3.59Å; Y385-M389 HydrophobicContact CE1-SD 4.04Å; Y385-M389 HydrophobicContact CE2-CG 4.45Å; Y385-M389 HydrophobicContact CE2-SD 4.48Å; Y385-M389 HydrophobicContact CG-CG 4.43Å; Y385-M389 WeakPolarHBondContact O-CB 3.35Å; Y385-M389 VanDerWaalsContact O-CG 3.23Å; Y385-M389 WeakPolarHBondContact O-CG 3.48Å; Y385-M389 PolarHBondContact O-N 2.99Å; I387-M389 VanDerWaalsContact C-N 3.27Å; I387-M389 PolarHBondContact O-N 2.95Å; M389-V392 PolarHBondContact O-N 3.13Å; M389-A393 PolarHBondContact O-N 2.8Å; M389-A393 VanDerWaalsContact O-N 3.09Å
390F97.3Very high93.7Very high0 Ų039 Ų390%020%0.196CC..Hα-helixtrans-61.9-41.8174.7180-95.9000112A386 I387 A393 H394 L415 I419 I422 I434 C437 W441A386-F390 WeakPolarHBondContact O-CB 3.48Å; A386-F390 PolarHBondContact O-N 3.33Å; I387-F390 WeakPolarHBondContact O-CB 3.47Å; I387-F390 PolarHBondContact O-N 3.2Å; F390-A393 PolarHBondContact O-N 2.84Å; F390-H394 PolarHBondContact O-N 2.95Å; F390-L415 HydrophobicContact CD2-CD2 4.44Å; F390-I419 HydrophobicContact CE2-CD1 4.22Å; F390-I422 HydrophobicContact CB-CD1 4.38Å; F390-I422 HydrophobicContact CB-CG2 4.04Å; F390-I422 HydrophobicContact CD2-CD1 4.08Å; F390-I422 HydrophobicContact CD2-CG2 4.1Å; F390-I422 HydrophobicContact CG-CG2 4.25Å; F390-I434 HydrophobicContact CD1-CG1 4.25Å; F390-I434 HydrophobicContact CE1-CB 4.31Å; F390-I434 HydrophobicContact CE1-CG1 4.05Å; F390-I434 HydrophobicContact CE1-CG2 4.39Å; F390-I434 HydrophobicContact CE2-CG2 4.36Å; F390-I434 HydrophobicContact CZ-CB 4.34Å; F390-I434 HydrophobicContact CZ-CG1 4.34Å; F390-I434 HydrophobicContact CZ-CG2 3.92Å; F390-C437 HydrophobicContact CE1-CB 3.58Å; F390-C437 HydrophobicContact CZ-CB 3.89Å; F390-W441 AromaticContact CE2-CH2 3.55Å; F390-W441 HydrophobicContact CE2-CH2 3.55Å; F390-W441 HydrophobicContact CE2-CZ2 4.29Å; F390-W441 HydrophobicContact CE2-CZ3 4.33Å; F390-W441 AromaticContact CZ-CH2 3.65Å; F390-W441 HydrophobicContact CZ-CH2 3.65Å; F390-W441 HydrophobicContact CZ-CZ2 4.1Å; F390-W441 HydrophobicContact CZ-CZ3 4.35Å
391C97.3Very high93.1Very high21 Ų2136.9 Ų36.914%0.14219%0.192CC..Hα-helixtrans-64.8-39.6176-67.10000112.2I352 I387 A388 A393 H394 E395I352-C391 HydrophobicContact CD1-CB 3.91Å; I352-C391 HydrophobicContact CG1-CB 4.48Å; I352-C391 HydrophobicContact CG2-CB 3.86Å; I387-C391 PolarHBondContact O-N 3.44Å; I387-C391 PolarHBondContact O-SG 3.36Å; A388-C391 PolarHBondContact O-N 2.96Å; C391-A393 VanDerWaalsContact C-N 3.33Å; C391-A393 PolarHBondContact O-N 3.15Å; C391-H394 WeakPolarHBondContact O-CB 3.45Å; C391-H394 PolarHBondContact O-N 3.17Å; C391-E395 WeakPolarHBondContact O-CG 3.37Å; C391-E395 PolarHBondContact O-N 2.77Å
392V97.5Very high92.1Very high0 Ų037.6 Ų37.60%021%0.206CC..Hα-helixtrans-58.9-46.3172.8170.60000110.5L345 I352 T355 M359 A388 M389 H394 E395 V396L345-V392 HydrophobicContact CD1-CG2 4Å; L345-V392 HydrophobicContact CD2-CG2 3.84Å; I352-V392 HydrophobicContact CB-CG2 4.33Å; I352-V392 HydrophobicContact CG1-CG2 4.41Å; I352-V392 HydrophobicContact CG2-CG2 3.98Å; T355-V392 HydrophobicContact CG2-CG1 4.06Å; T355-V392 HydrophobicContact CG2-CG2 4.26Å; M359-V392 HydrophobicContact SD-CG1 3.68Å; A388-V392 WeakPolarHBondContact O-CG2 3.5Å; A388-V392 PolarHBondContact O-N 3.46Å; M389-V392 PolarHBondContact O-N 3.13Å; V392-H394 VanDerWaalsContact C-N 3.32Å; V392-H394 PolarHBondContact O-N 3.49Å; V392-E395 PolarHBondContact O-N 3.15Å; V392-V396 HydrophobicContact CG1-CG2 4.45Å; V392-V396 VanDerWaalsContact O-CG2 3.29Å; V392-V396 WeakPolarHBondContact O-CG2 3.23Å; V392-V396 PolarHBondContact O-N 3.21Å
393A97.2Very high91.4Very high0 Ų036.5 Ų36.50%020%0.198CC..Hα-helixtrans-61.7-41176.300000112W373 M389 F390 C391 V397 F411W373-A393 HydrophobicContact CH2-CB 4.46Å; W373-A393 HydrophobicContact CZ2-CB 3.84Å; M389-A393 PolarHBondContact O-N 2.8Å; M389-A393 VanDerWaalsContact O-N 3.09Å; F390-A393 PolarHBondContact O-N 2.84Å; C391-A393 VanDerWaalsContact C-N 3.33Å; C391-A393 PolarHBondContact O-N 3.15Å; A393-V397 VanDerWaalsContact O-CB 3.32Å; A393-V397 WeakPolarHBondContact O-CB 3.34Å; A393-V397 WeakPolarHBondContact O-CG2 3.46Å; A393-V397 PolarHBondContact O-N 3.47Å; A393-F411 HydrophobicContact CB-CD1 3.75Å; A393-F411 HydrophobicContact CB-CE1 3.41Å; A393-F411 VanDerWaalsContact CB-CE1 3.41Å; A393-F411 HydrophobicContact CB-CE2 4.5Å; A393-F411 HydrophobicContact CB-CG 4.43Å; A393-F411 HydrophobicContact CB-CZ 3.82Å
394H97.2Very high90.9Very high20 Ų2034.9 Ų34.99%0.09319%0.187CC..Hα-helixtrans-59.2-53.5175.3179.974.4000111.7F390 C391 V392 V396 V397 I398 C437 W441F390-H394 PolarHBondContact O-N 2.95Å; C391-H394 WeakPolarHBondContact O-CB 3.45Å; C391-H394 PolarHBondContact O-N 3.17Å; V392-H394 VanDerWaalsContact C-N 3.32Å; V392-H394 PolarHBondContact O-N 3.49Å; H394-V396 PolarHBondContact O-N 2.93Å; H394-V397 PolarHBondContact O-N 3.44Å; H394-I398 WeakPolarHBondContact O-CG1 3.45Å; H394-I398 WeakPolarHBondContact O-CG2 3.17Å; H394-I398 PolarHBondContact O-N 3.01Å; H394-C437 WeakPolarHBondContact ND1-CB 3.38Å; H394-W441 HydrophobicContact CB-CZ2 4.25Å; H394-W441 AromaticContact CE1-NE1 3.69Å; H394-W441 AromaticContact CG-NE1 3.97Å; H394-W441 AromaticContact ND1-CD1 3.73Å; H394-W441 AromaticContact ND1-CE2 3.61Å; H394-W441 AromaticContact ND1-CZ2 3.98Å; H394-W441 AromaticContact ND1-NE1 2.95Å; H394-W441 PolarHBondContact ND1-NE1 3.05Å
395E97.1Very high90.6Very high71 Ų7132.5 Ų32.533%0.33219%0.187SC..Hα-helixtrans-58-45.5179.8-73.7-6014600112.1I352 C391 V392 V397 I398 T399I352-E395 HydrophobicContact CG2-CG 4.12Å; C391-E395 WeakPolarHBondContact O-CG 3.37Å; C391-E395 PolarHBondContact O-N 2.77Å; V392-E395 PolarHBondContact O-N 3.15Å; E395-V397 VanDerWaalsContact C-N 3.33Å; E395-V397 PolarHBondContact O-N 3.11Å; E395-I398 WeakPolarHBondContact O-CG1 3.36Å; E395-I398 PolarHBondContact O-N 3.26Å; E395-T399 WeakPolarHBondContact O-CB 3.45Å; E395-T399 PolarHBondContact O-N 3.41Å; E395-T399 PolarHBondContact O-OG1 3.44Å
396V96.5Very high90.5Very high0 Ų033.2 Ų33.20%020%0.198CC..Hα-helixtrans-63.1-40.9177.6176.50000111.4M359 V360 V392 H394 T399 Y407 F411M359-V396 HydrophobicContact CB-CG2 3.91Å; M359-V396 HydrophobicContact CE-CG2 4.45Å; M359-V396 HydrophobicContact SD-CG2 3.93Å; V360-V396 HydrophobicContact CG2-CG1 4.15Å; V360-V396 HydrophobicContact CG2-CG2 4.43Å; V392-V396 HydrophobicContact CG1-CG2 4.45Å; V392-V396 VanDerWaalsContact O-CG2 3.29Å; V392-V396 WeakPolarHBondContact O-CG2 3.23Å; V392-V396 PolarHBondContact O-N 3.21Å; H394-V396 PolarHBondContact O-N 2.93Å; V396-T399 PolarHBondContact O-N 2.94Å; V396-Y407 HydrophobicContact CG1-CD1 3.7Å; V396-Y407 HydrophobicContact CG1-CD2 3.67Å; V396-Y407 HydrophobicContact CG1-CE1 4.16Å; V396-Y407 HydrophobicContact CG1-CE2 4.1Å; V396-Y407 HydrophobicContact CG1-CG 3.45Å; V396-Y407 VanDerWaalsContact CG1-CG 3.45Å; V396-F411 HydrophobicContact CB-CE2 3.9Å; V396-F411 HydrophobicContact CG1-CD2 4.5Å; V396-F411 HydrophobicContact CG1-CE2 3.74Å
397V95.6Very high90.6Very high2 Ų233.2 Ų33.21%0.01220%0.198CC..Hα-helixtrans-72.8-35.5-177.91660000112.6A393 H394 E395 T399 I408 F411 L446 F447A393-V397 VanDerWaalsContact O-CB 3.32Å; A393-V397 WeakPolarHBondContact O-CB 3.34Å; A393-V397 WeakPolarHBondContact O-CG2 3.46Å; A393-V397 PolarHBondContact O-N 3.47Å; H394-V397 PolarHBondContact O-N 3.44Å; E395-V397 VanDerWaalsContact C-N 3.33Å; E395-V397 PolarHBondContact O-N 3.11Å; V397-T399 VanDerWaalsContact C-N 3.34Å; V397-I408 HydrophobicContact CG1-CG1 4.17Å; V397-F411 HydrophobicContact CG2-CB 4.06Å; V397-F411 HydrophobicContact CG2-CD2 3.68Å; V397-F411 HydrophobicContact CG2-CE2 4.44Å; V397-F411 HydrophobicContact CG2-CG 4.11Å; V397-L446 HydrophobicContact CG1-CB 4.2Å; V397-L446 HydrophobicContact CG1-CD1 3.76Å; V397-F447 HydrophobicContact CG1-CE2 3.74Å; V397-F447 HydrophobicContact CG1-CZ 3.85Å; V397-F447 HydrophobicContact CG2-CZ 4.18Å
398I95.3Very high90.5Very high41 Ų4134.8 Ų34.821%0.2121%0.206CC..Hα-helixtrans-78.5-20.7176.967.3176.5000112.6H394 E395 R400 T440 L444 L446H394-I398 WeakPolarHBondContact O-CG1 3.45Å; H394-I398 WeakPolarHBondContact O-CG2 3.17Å; H394-I398 PolarHBondContact O-N 3.01Å; E395-I398 WeakPolarHBondContact O-CG1 3.36Å; E395-I398 PolarHBondContact O-N 3.26Å; I398-R400 PolarHBondContact O-N 3.48Å; I398-R400 VanDerWaalsContact O-N 3.13Å; I398-T440 HydrophobicContact CG2-CG2 4.34Å; I398-L444 HydrophobicContact CG2-CD1 4.38Å; I398-L446 HydrophobicContact CG2-CD1 3.96Å
399T91.3Very high90.5Very high48 Ų4844 Ų4429%0.29424%0.24SC..SBendtrans-64.4113.2177.2-63.50000109.7V360 E395 V396 V397 S401 A404V360-T399 HydrophobicContact CG1-CG2 3.97Å; V360-T399 HydrophobicContact CG2-CG2 3.91Å; E395-T399 WeakPolarHBondContact O-CB 3.45Å; E395-T399 PolarHBondContact O-N 3.41Å; E395-T399 PolarHBondContact O-OG1 3.44Å; V396-T399 PolarHBondContact O-N 2.94Å; V397-T399 VanDerWaalsContact C-N 3.34Å; T399-S401 PolarHBondContact O-N 3.44Å; T399-A404 WeakPolarHBondContact O-CB 3.49Å
400R74.4Confident90.4Very high215 Ų21544.5 Ų44.581%0.81125%0.245SC*.  trans-79.148.9-174.1-62.5-174.7176.8175.50.7113.4I398I398-R400 PolarHBondContact O-N 3.48Å; I398-R400 VanDerWaalsContact O-N 3.13Å
401S75.1Confident90.4Very high35 Ų3544.5 Ų44.525%0.24525%0.245CC..  trans-83.5163.1175.470.60000111.7T399 S403 A404T399-S401 PolarHBondContact O-N 3.44Å; S401-S403 PolarHBondContact O-N 3.08Å; S401-S403 PolarHBondContact OG-N 3.42Å; S401-S403 PolarHBondContact OG-OG 3.18Å; S401-A404 WeakPolarHBondContact O-CB 3.09Å; S401-A404 PolarHBondContact O-N 2.93Å; S401-A404 VanDerWaalsContact O-N 3.08Å; S401-A404 PolarHBondContact OG-N 3.1Å; S401-A404 VanDerWaalsContact OG-N 3.11Å
402A63.9Low90.4Very high108 Ų10848.2 Ų48.289%0.89326%0.256SS*.THydrogen-bonded Turntrans-62.4-30.6170.900000112.3A404A402-A404 PolarHBondContact O-N 2.85Å
403S78.9Confident90.3Very high33 Ų3352 Ų5223%0.23128%0.283CS..THydrogen-bonded Turntrans-71.6-15.5174.1520000113.4V360 S401 A405 G406 Y407V360-S403 PolarHBondContact O-OG 2.98Å; S401-S403 PolarHBondContact O-N 3.08Å; S401-S403 PolarHBondContact OG-N 3.42Å; S401-S403 PolarHBondContact OG-OG 3.18Å; S403-A405 PolarHBondContact O-N 3.43Å; S403-G406 PolarHBondContact O-N 3.02Å; S403-Y407 PolarHBondContact O-N 3.3Å
404A79.9Confident90.3Very high8 Ų852.2 Ų52.27%0.06628%0.284CS..Hα-helixtrans-59-33.4-177.900000112.9T399 S401 A402 G406 Y407 I408T399-A404 WeakPolarHBondContact O-CB 3.49Å; S401-A404 WeakPolarHBondContact O-CB 3.09Å; S401-A404 PolarHBondContact O-N 2.93Å; S401-A404 VanDerWaalsContact O-N 3.08Å; S401-A404 PolarHBondContact OG-N 3.1Å; S401-A404 VanDerWaalsContact OG-N 3.11Å; A402-A404 PolarHBondContact O-N 2.85Å; A404-G406 VanDerWaalsContact C-N 3.3Å; A404-G406 PolarHBondContact O-N 3.01Å; A404-Y407 PolarHBondContact O-N 2.78Å; A404-I408 WeakPolarHBondContact O-CB 3.25Å; A404-I408 VanDerWaalsContact O-CG1 3.22Å; A404-I408 WeakPolarHBondContact O-CG1 3.33Å; A404-I408 PolarHBondContact O-N 3.06Å
405A88.4Confident90.3Very high65 Ų6551.3 Ų51.354%0.53728%0.28SS..Hα-helixtrans-63.3-36.3177.500000112.6S403 R409S403-A405 PolarHBondContact O-N 3.43Å; A405-R409 PolarHBondContact O-N 3.02Å
406G93.5Very high90.2Very high25 Ų2550.4 Ų50.426%0.25828%0.276SS..Hα-helixtrans-66.4-47173.700000111.2S403 A404 R409 A410S403-G406 PolarHBondContact O-N 3.02Å; A404-G406 VanDerWaalsContact C-N 3.3Å; A404-G406 PolarHBondContact O-N 3.01Å; G406-R409 PolarHBondContact O-N 3.26Å; G406-A410 WeakPolarHBondContact O-CB 3.38Å; G406-A410 PolarHBondContact O-N 3.08Å
407Y96.3Very high90.2Very high0 Ų053.6 Ų53.60%030%0.295CS..Hα-helixtrans-63.2-42.6176.9-81.5-62.6000113.7M359 N362 C366 L369 V370 V396 S403 A404 R409 A410 F411M359-Y407 VanDerWaalsContact C-OH 3.31Å; M359-Y407 HydrophobicContact CE-CE1 3.83Å; M359-Y407 WeakPolarHBondContact O-CE2 3.29Å; M359-Y407 PolarHBondContact O-OH 3.37Å; N362-Y407 PolarHBondContact O-OH 3.44Å; C366-Y407 HydrophobicContact CB-CD1 3.69Å; C366-Y407 HydrophobicContact CB-CD2 4.15Å; C366-Y407 HydrophobicContact CB-CE1 3.43Å; C366-Y407 VanDerWaalsContact CB-CE1 3.43Å; C366-Y407 HydrophobicContact CB-CE2 3.95Å; C366-Y407 HydrophobicContact CB-CG 4.02Å; L369-Y407 VanDerWaalsContact CD1-OH 3.3Å; L369-Y407 WeakPolarHBondContact CD1-OH 3.46Å; V370-Y407 HydrophobicContact CG2-CD1 3.78Å; V370-Y407 HydrophobicContact CG2-CE1 3.99Å; V396-Y407 HydrophobicContact CG1-CD1 3.7Å; V396-Y407 HydrophobicContact CG1-CD2 3.67Å; V396-Y407 HydrophobicContact CG1-CE1 4.16Å; V396-Y407 HydrophobicContact CG1-CE2 4.1Å; V396-Y407 HydrophobicContact CG1-CG 3.45Å; V396-Y407 VanDerWaalsContact CG1-CG 3.45Å; S403-Y407 PolarHBondContact O-N 3.3Å; A404-Y407 PolarHBondContact O-N 2.78Å; Y407-R409 VanDerWaalsContact C-N 3.27Å; Y407-R409 PolarHBondContact O-N 3.11Å; Y407-A410 PolarHBondContact O-N 3.06Å; Y407-F411 HydrophobicContact CD1-CD2 4.1Å; Y407-F411 AromaticContact CD1-CE2 3.75Å; Y407-F411 HydrophobicContact CD1-CE2 3.75Å; Y407-F411 HydrophobicContact CE1-CE2 4.49Å; Y407-F411 HydrophobicContact CG-CE2 4.44Å; Y407-F411 VanDerWaalsContact O-CB 3.3Å; Y407-F411 WeakPolarHBondContact O-CB 3.47Å; Y407-F411 WeakPolarHBondContact O-CD2 3.44Å; Y407-F411 PolarHBondContact O-N 3.07Å
408I94.9Very high90.2Very high39 Ų3953.5 Ų53.520%0.230%0.295CS..Hα-helixtrans-56.9-44.8175.6-72.8165.2000110V397 A404 R412 L446 F447V397-I408 HydrophobicContact CG1-CG1 4.17Å; A404-I408 WeakPolarHBondContact O-CB 3.25Å; A404-I408 VanDerWaalsContact O-CG1 3.22Å; A404-I408 WeakPolarHBondContact O-CG1 3.33Å; A404-I408 PolarHBondContact O-N 3.06Å; I408-R412 VanDerWaalsContact O-CB 3.26Å; I408-R412 WeakPolarHBondContact O-CB 3.25Å; I408-R412 PolarHBondContact O-N 2.83Å; I408-L446 HydrophobicContact CD1-CD2 4.33Å; I408-L446 VanDerWaalsContact CG2-O 3.22Å; I408-L446 WeakPolarHBondContact CG2-O 3.48Å; I408-F447 HydrophobicContact CG2-CD1 4.01Å; I408-F447 HydrophobicContact CG2-CE1 3.9Å; I408-F447 WeakPolarHBondContact O-CE1 3.28Å
409R94.8Very high90.2Very high192 Ų19251.5 Ų51.573%0.72529%0.285SS*.Hα-helixtrans-65.7-46.3178-168.6-172.5-57.7155.63.3111.9A405 G406 Y407 S413A405-R409 PolarHBondContact O-N 3.02Å; G406-R409 PolarHBondContact O-N 3.26Å; Y407-R409 VanDerWaalsContact C-N 3.27Å; Y407-R409 PolarHBondContact O-N 3.11Å; R409-S413 PolarHBondContact O-N 2.76Å
410A96.2Very high90.3Very high11 Ų1152.3 Ų52.39%0.09129%0.287CS..Hα-helixtrans-65.8-48.4-179.100000111.7V370 G406 Y407 R412 S413 A414V370-A410 HydrophobicContact CB-CB 3.93Å; V370-A410 HydrophobicContact CG1-CB 4.08Å; V370-A410 HydrophobicContact CG2-CB 3.78Å; G406-A410 WeakPolarHBondContact O-CB 3.38Å; G406-A410 PolarHBondContact O-N 3.08Å; Y407-A410 PolarHBondContact O-N 3.06Å; A410-R412 VanDerWaalsContact C-N 3.33Å; A410-R412 PolarHBondContact O-N 2.84Å; A410-S413 PolarHBondContact O-N 3.38Å; A410-A414 PolarHBondContact O-N 2.9Å
411F97.4Very high91.3Very high0 Ų044.2 Ų44.20%026%0.258CS..Hα-helixtrans-67-31177.8-83.1-62.8000112.9M359 V370 W373 A393 V396 V397 Y407 S413 A414 L415M359-F411 HydrophobicContact CE-CE2 4.18Å; M359-F411 HydrophobicContact CE-CZ 3.74Å; V370-F411 HydrophobicContact CG1-CD1 3.99Å; V370-F411 HydrophobicContact CG1-CE1 4.23Å; V370-F411 HydrophobicContact CG1-CG 4.4Å; V370-F411 HydrophobicContact CG2-CD1 4.12Å; V370-F411 HydrophobicContact CG2-CD2 3.92Å; V370-F411 HydrophobicContact CG2-CE1 3.96Å; V370-F411 HydrophobicContact CG2-CE2 3.75Å; V370-F411 HydrophobicContact CG2-CG 4.11Å; V370-F411 HydrophobicContact CG2-CZ 3.79Å; W373-F411 AromaticContact CD2-CE1 3.79Å; W373-F411 HydrophobicContact CD2-CE1 3.79Å; W373-F411 HydrophobicContact CE3-CD1 4.34Å; W373-F411 AromaticContact CE3-CE1 3.92Å; W373-F411 HydrophobicContact CE3-CE1 3.92Å; W373-F411 HydrophobicContact CG-CE1 4.19Å; W373-F411 HydrophobicContact CZ2-CE1 4.41Å; W373-F411 HydrophobicContact CZ3-CD1 4.38Å; W373-F411 HydrophobicContact CZ3-CE1 4.32Å; A393-F411 HydrophobicContact CB-CD1 3.75Å; A393-F411 HydrophobicContact CB-CE1 3.41Å; A393-F411 VanDerWaalsContact CB-CE1 3.41Å; A393-F411 HydrophobicContact CB-CE2 4.5Å; A393-F411 HydrophobicContact CB-CG 4.43Å; A393-F411 HydrophobicContact CB-CZ 3.82Å; V396-F411 HydrophobicContact CB-CE2 3.9Å; V396-F411 HydrophobicContact CG1-CD2 4.5Å; V396-F411 HydrophobicContact CG1-CE2 3.74Å; V397-F411 HydrophobicContact CG2-CB 4.06Å; V397-F411 HydrophobicContact CG2-CD2 3.68Å; V397-F411 HydrophobicContact CG2-CE2 4.44Å; V397-F411 HydrophobicContact CG2-CG 4.11Å; Y407-F411 HydrophobicContact CD1-CD2 4.1Å; Y407-F411 AromaticContact CD1-CE2 3.75Å; Y407-F411 HydrophobicContact CD1-CE2 3.75Å; Y407-F411 HydrophobicContact CE1-CE2 4.49Å; Y407-F411 HydrophobicContact CG-CE2 4.44Å; Y407-F411 VanDerWaalsContact O-CB 3.3Å; Y407-F411 WeakPolarHBondContact O-CB 3.47Å; Y407-F411 WeakPolarHBondContact O-CD2 3.44Å; Y407-F411 PolarHBondContact O-N 3.07Å; F411-S413 PolarHBondContact O-N 3.32Å; F411-A414 PolarHBondContact O-N 3.34Å; F411-L415 HydrophobicContact CB-CD1 4.34Å; F411-L415 WeakPolarHBondContact O-CB 3.22Å; F411-L415 VanDerWaalsContact O-CG 3.23Å; F411-L415 WeakPolarHBondContact O-CG 3.22Å; F411-L415 PolarHBondContact O-N 3.41Å
412R96.2Very high92.1Very high99 Ų9942.6 Ų42.637%0.37425%0.246SC..Hα-helixtrans-53.2-56171.3-176.9-177.1174.9176.60.8110.1I408 A410 A414 L415 E416 F447 F451I408-R412 VanDerWaalsContact O-CB 3.26Å; I408-R412 WeakPolarHBondContact O-CB 3.25Å; I408-R412 PolarHBondContact O-N 2.83Å; A410-R412 VanDerWaalsContact C-N 3.33Å; A410-R412 PolarHBondContact O-N 2.84Å; R412-A414 PolarHBondContact O-N 3.25Å; R412-L415 PolarHBondContact O-N 3.39Å; R412-E416 IonicContact NE-OE1 3.7Å; R412-E416 WeakPolarHBondContact O-CG 3.35Å; R412-E416 PolarHBondContact O-N 2.94Å; R412-F447 HydrophobicContact CB-CD1 4.18Å; R412-F447 HydrophobicContact CB-CE1 3.95Å; R412-F447 HydrophobicContact CG-CD1 4.44Å; R412-F451 HydrophobicContact CB-CE2 4.43Å; R412-F451 HydrophobicContact CG-CD2 3.69Å; R412-F451 HydrophobicContact CG-CE2 3.63Å; R412-F451 HydrophobicContact CG-CG 4.29Å; R412-F451 HydrophobicContact CG-CZ 4.16Å
413S95.9Very high93.4Very high81 Ų8137.8 Ų37.857%0.56621%0.207SC*.Hα-helixtrans-60-44.8179.1-177.70000112.2R409 A410 F411 E416 T417R409-S413 PolarHBondContact O-N 2.76Å; A410-S413 PolarHBondContact O-N 3.38Å; F411-S413 PolarHBondContact O-N 3.32Å; S413-E416 PolarHBondContact O-N 3.22Å; S413-T417 PolarHBondContact O-N 3.26Å
414A97.3Very high94Very high4 Ų441.7 Ų41.73%0.03322%0.22CC..Hα-helixtrans-63.6-48.5-179.800000112.4V370 W373 K374 A410 F411 R412 E416 T417 S418V370-A414 HydrophobicContact CG1-CB 3.52Å; W373-A414 HydrophobicContact CE3-CB 4.28Å; W373-A414 HydrophobicContact CZ3-CB 3.94Å; K374-A414 HydrophobicContact CD-CB 4.44Å; A410-A414 PolarHBondContact O-N 2.9Å; F411-A414 PolarHBondContact O-N 3.34Å; R412-A414 PolarHBondContact O-N 3.25Å; A414-E416 PolarHBondContact O-N 2.98Å; A414-T417 PolarHBondContact O-N 3.47Å; A414-T417 PolarHBondContact O-OG1 3.27Å; A414-S418 PolarHBondContact O-N 3.08Å; A414-S418 PolarHBondContact O-OG 2.86Å
415L97.3Very high94.5Very high0 Ų042.4 Ų42.40%022%0.223CC..Hα-helixtrans-63.6-36.5178.8-72168.1000112.1W373 F390 F411 R412 T417 S418 I419 I422 W441 F447 F451 I455W373-L415 HydrophobicContact CH2-CD2 4.18Å; F390-L415 HydrophobicContact CD2-CD2 4.44Å; F411-L415 HydrophobicContact CB-CD1 4.34Å; F411-L415 WeakPolarHBondContact O-CB 3.22Å; F411-L415 VanDerWaalsContact O-CG 3.23Å; F411-L415 WeakPolarHBondContact O-CG 3.22Å; F411-L415 PolarHBondContact O-N 3.41Å; R412-L415 PolarHBondContact O-N 3.39Å; L415-T417 PolarHBondContact O-N 3.42Å; L415-T417 VanDerWaalsContact O-N 3.12Å; L415-S418 PolarHBondContact O-N 3.49Å; L415-I419 VanDerWaalsContact O-CB 3.26Å; L415-I419 WeakPolarHBondContact O-CB 3.26Å; L415-I419 WeakPolarHBondContact O-CG2 3.39Å; L415-I419 PolarHBondContact O-N 3.28Å; L415-I422 HydrophobicContact CD2-CD1 4.41Å; L415-W441 HydrophobicContact CD1-CH2 3.8Å; L415-W441 HydrophobicContact CD1-CZ3 4.12Å; L415-F447 HydrophobicContact CD1-CZ 4.33Å; L415-F451 HydrophobicContact CB-CZ 4.17Å; L415-F451 HydrophobicContact CD1-CZ 4.43Å; L415-I455 HydrophobicContact CB-CD1 4.49Å
416E95.8Very high94.4Very high52 Ų5239.4 Ų39.424%0.24320%0.198CC..Hα-helixtrans-59.3-23.2172.4-70.3-163-153.500112.5R412 S413 A414 F451 K454 R458R412-E416 IonicContact NE-OE1 3.7Å; R412-E416 WeakPolarHBondContact O-CG 3.35Å; R412-E416 PolarHBondContact O-N 2.94Å; S413-E416 PolarHBondContact O-N 3.22Å; A414-E416 PolarHBondContact O-N 2.98Å; E416-F451 HydrophobicContact CG-CD2 3.85Å; E416-F451 HydrophobicContact CG-CE2 3.49Å; E416-F451 VanDerWaalsContact CG-CE2 3.49Å; E416-F451 WeakPolarHBondContact OE1-CD2 3.35Å; E416-K454 IonicContact OE2-NZ 3.3Å; E416-K454 PolarHBondContact OE2-NZ 2.88Å; E416-R458 PolarHBondContact O-NH1 2.97Å; E416-R458 PolarHBondContact O-NH2 2.89Å
417T95.1Very high94Very high67 Ų6739.9 Ų39.941%0.41120%0.2SC..Hα-helixtrans-102.2-20.5178.858.50000114K374 S413 A414 L415K374-T417 WeakPolarHBondContact CE-OG1 3.31Å; K374-T417 PolarHBondContact NZ-OG1 3.36Å; S413-T417 PolarHBondContact O-N 3.26Å; A414-T417 PolarHBondContact O-N 3.47Å; A414-T417 PolarHBondContact O-OG1 3.27Å; L415-T417 PolarHBondContact O-N 3.42Å; L415-T417 VanDerWaalsContact O-N 3.12Å
418S96.3Very high93.5Very high0 Ų042.4 Ų42.40%022%0.217CC..Hα-helixtrans-111.5-11.6-173.264.30000115A414 L415 D420 F421 I422A414-S418 PolarHBondContact O-N 3.08Å; A414-S418 PolarHBondContact O-OG 2.86Å; L415-S418 PolarHBondContact O-N 3.49Å; S418-D420 VanDerWaalsContact C-N 3.33Å; S418-D420 PolarHBondContact O-N 2.95Å; S418-F421 WeakPolarHBondContact O-CB 3.41Å; S418-F421 PolarHBondContact O-N 3.45Å; S418-F421 VanDerWaalsContact O-N 3.14Å; S418-I422 WeakPolarHBondContact O-CG1 3.38Å; S418-I422 PolarHBondContact O-N 2.83Å
419I95.8Very high93.1Very high0 Ų044.5 Ų44.50%024%0.235CC..Hα-helixtrans-61.8-37.6-173.5-167.666.5000113.4F390 L415 F421 I422 A423 I455 R458 V459F390-I419 HydrophobicContact CE2-CD1 4.22Å; L415-I419 VanDerWaalsContact O-CB 3.26Å; L415-I419 WeakPolarHBondContact O-CB 3.26Å; L415-I419 WeakPolarHBondContact O-CG2 3.39Å; L415-I419 PolarHBondContact O-N 3.28Å; I419-F421 VanDerWaalsContact C-N 3.3Å; I419-F421 PolarHBondContact O-N 2.9Å; I419-I422 PolarHBondContact O-N 3.09Å; I419-A423 VanDerWaalsContact O-CB 3.3Å; I419-A423 WeakPolarHBondContact O-CB 3.26Å; I419-A423 PolarHBondContact O-N 3.01Å; I419-I455 HydrophobicContact CB-CD1 4.01Å; I419-I455 HydrophobicContact CD1-CG2 4.23Å; I419-I455 HydrophobicContact CG1-CD1 4.17Å; I419-I455 HydrophobicContact CG1-CG2 4.12Å; I419-I455 HydrophobicContact CG2-CD1 3.82Å; I419-R458 HydrophobicContact CG2-CB 4.16Å; I419-V459 HydrophobicContact CD1-CG2 3.81Å; I419-V459 HydrophobicContact CG1-CG2 3.57Å
420D93.2Very high93Very high65 Ų6535.8 Ų35.835%0.34820%0.203SC..Hα-helixtrans-63.1-41.8178-67.8-9.7000110.7S418 A423 F424 R458S418-D420 VanDerWaalsContact C-N 3.33Å; S418-D420 PolarHBondContact O-N 2.95Å; D420-A423 PolarHBondContact O-N 3.18Å; D420-F424 WeakPolarHBondContact O-CB 3.48Å; D420-F424 PolarHBondContact O-N 2.95Å; D420-R458 VanDerWaalsContact CG-NE 3.32Å; D420-R458 WeakPolarHBondContact OD1-CB 3.4Å; D420-R458 IonicContact OD1-CZ 2.8Å; D420-R458 IonicContact OD1-NE 2.95Å; D420-R458 PolarHBondContact OD1-NE 2.87Å; D420-R458 IonicContact OD1-NH2 3.91Å; D420-R458 PolarHBondContact OD1-NH2 3.29Å; D420-R458 IonicContact OD2-CZ 3.31Å; D420-R458 VanDerWaalsContact OD2-CZ 3.3Å; D420-R458 IonicContact OD2-NE 3.04Å; D420-R458 PolarHBondContact OD2-NE 3.29Å; D420-R458 IonicContact OD2-NH2 2.71Å; D420-R458 PolarHBondContact OD2-NH2 3.35Å
421F94.1Very high92.8Very high45 Ų4537.7 Ų37.720%0.19721%0.208CC..Hα-helixtrans-63.7-45.5176.4178.8-94.8000111.3L377 F378 P381 S418 I419 A423 F424 T425L377-F421 HydrophobicContact CD1-CD1 4.14Å; L377-F421 HydrophobicContact CD1-CE1 3.97Å; L377-F421 HydrophobicContact CD2-CD1 4.42Å; L377-F421 HydrophobicContact CG-CD1 3.95Å; L377-F421 HydrophobicContact CG-CE1 3.98Å; L377-F421 WeakPolarHBondContact O-CE1 3.13Å; F378-F421 HydrophobicContact CD1-CD1 4.24Å; F378-F421 HydrophobicContact CD1-CD2 4.05Å; F378-F421 HydrophobicContact CD1-CE1 4.46Å; F378-F421 HydrophobicContact CD1-CE2 4.26Å; F378-F421 HydrophobicContact CD1-CG 4.01Å; F378-F421 HydrophobicContact CD1-CZ 4.43Å; F378-F421 HydrophobicContact CE1-CB 3.79Å; F378-F421 HydrophobicContact CE1-CD1 4.24Å; F378-F421 HydrophobicContact CE1-CD2 4.1Å; F378-F421 AromaticContact CE1-CG 3.79Å; F378-F421 HydrophobicContact CE1-CG 3.79Å; P381-F421 HydrophobicContact CB-CE2 4.16Å; P381-F421 HydrophobicContact CB-CZ 3.79Å; S418-F421 WeakPolarHBondContact O-CB 3.41Å; S418-F421 PolarHBondContact O-N 3.45Å; S418-F421 VanDerWaalsContact O-N 3.14Å; I419-F421 VanDerWaalsContact C-N 3.3Å; I419-F421 PolarHBondContact O-N 2.9Å; F421-A423 PolarHBondContact O-N 3.33Å; F421-F424 PolarHBondContact O-N 2.88Å; F421-T425 HydrophobicContact CD1-CG2 4.31Å; F421-T425 HydrophobicContact CD2-CG2 4.07Å; F421-T425 HydrophobicContact CE1-CG2 4.05Å; F421-T425 HydrophobicContact CE2-CG2 3.8Å; F421-T425 HydrophobicContact CG-CG2 4.34Å; F421-T425 HydrophobicContact CZ-CG2 3.82Å; F421-T425 WeakPolarHBondContact O-CB 3.31Å; F421-T425 VanDerWaalsContact O-CG2 3.27Å; F421-T425 WeakPolarHBondContact O-CG2 3.37Å; F421-T425 PolarHBondContact O-N 3.47Å; F421-T425 PolarHBondContact O-OG1 3.39Å
422I93.2Very high92.6Very high0 Ų045 Ų450%024%0.243CC..Hα-helixtrans-60.8-47.7176.9-64.2169.7000110.1W373 L377 F390 L415 S418 I419 T425 S426 I434W373-I422 HydrophobicContact CH2-CD1 4.18Å; L377-I422 HydrophobicContact CD1-CG1 4.19Å; L377-I422 HydrophobicContact CD2-CD1 3.81Å; L377-I422 HydrophobicContact CD2-CG1 3.75Å; F390-I422 HydrophobicContact CB-CD1 4.38Å; F390-I422 HydrophobicContact CB-CG2 4.04Å; F390-I422 HydrophobicContact CD2-CD1 4.08Å; F390-I422 HydrophobicContact CD2-CG2 4.1Å; F390-I422 HydrophobicContact CG-CG2 4.25Å; L415-I422 HydrophobicContact CD2-CD1 4.41Å; S418-I422 WeakPolarHBondContact O-CG1 3.38Å; S418-I422 PolarHBondContact O-N 2.83Å; I419-I422 PolarHBondContact O-N 3.09Å; I422-T425 PolarHBondContact O-OG1 3.29Å; I422-S426 WeakPolarHBondContact O-CB 3.47Å; I422-S426 PolarHBondContact O-N 3.21Å; I422-S426 VanDerWaalsContact O-N 3.07Å; I422-S426 PolarHBondContact O-OG 2.84Å; I422-I434 HydrophobicContact CG2-CD1 4.17Å
423A91.3Very high92.6Very high7 Ų743.5 Ų43.56%0.05824%0.242CC..Hα-helixtrans-66.1-42.7-178.400000112.1I419 D420 F421 S426 V459 A462I419-A423 VanDerWaalsContact O-CB 3.3Å; I419-A423 WeakPolarHBondContact O-CB 3.26Å; I419-A423 PolarHBondContact O-N 3.01Å; D420-A423 PolarHBondContact O-N 3.18Å; F421-A423 PolarHBondContact O-N 3.33Å; A423-S426 PolarHBondContact O-N 3.37Å; A423-V459 HydrophobicContact CB-CG2 4.32Å; A423-A462 HydrophobicContact CB-CB 3.66Å
424F91.8Very high92.6Very high116 Ų11639.7 Ų39.751%0.50922%0.215SC..Hα-helixtrans-68.5-46-179.9-174.9-96.4000112.4D420 F421 S426 K466D420-F424 WeakPolarHBondContact O-CB 3.48Å; D420-F424 PolarHBondContact O-N 2.95Å; F421-F424 PolarHBondContact O-N 2.88Å; F424-S426 VanDerWaalsContact C-N 3.26Å; F424-S426 PolarHBondContact O-N 2.98Å; F424-K466 PolarHBondContact O-NZ 3.21Å
425T89.6Confident92.5Very high22 Ų2241.2 Ų41.214%0.13522%0.222CC..Hα-helixtrans-69-25.9178.955.10000112.1S383 A386 F421 I422S383-T425 WeakPolarHBondContact CA-O 3.41Å; S383-T425 WeakPolarHBondContact CB-O 3.37Å; A386-T425 VanDerWaalsContact CB-OG1 3.29Å; A386-T425 WeakPolarHBondContact CB-OG1 3.39Å; F421-T425 HydrophobicContact CD1-CG2 4.31Å; F421-T425 HydrophobicContact CD2-CG2 4.07Å; F421-T425 HydrophobicContact CE1-CG2 4.05Å; F421-T425 HydrophobicContact CE2-CG2 3.8Å; F421-T425 HydrophobicContact CG-CG2 4.34Å; F421-T425 HydrophobicContact CZ-CG2 3.82Å; F421-T425 WeakPolarHBondContact O-CB 3.31Å; F421-T425 VanDerWaalsContact O-CG2 3.27Å; F421-T425 WeakPolarHBondContact O-CG2 3.37Å; F421-T425 PolarHBondContact O-N 3.47Å; F421-T425 PolarHBondContact O-OG1 3.39Å; I422-T425 PolarHBondContact O-OG1 3.29Å
426S85.6Confident92.5Very high2 Ų248.1 Ų48.11%0.01425%0.252CS..SBendtrans-64.9135.4-177.6-740000113.8I387 I422 A423 F424 K466I387-S426 WeakPolarHBondContact CD1-OG 3.25Å; I387-S426 WeakPolarHBondContact CG1-OG 3.36Å; I422-S426 WeakPolarHBondContact O-CB 3.47Å; I422-S426 PolarHBondContact O-N 3.21Å; I422-S426 VanDerWaalsContact O-N 3.07Å; I422-S426 PolarHBondContact O-OG 2.84Å; A423-S426 PolarHBondContact O-N 3.37Å; F424-S426 VanDerWaalsContact C-N 3.26Å; F424-S426 PolarHBondContact O-N 2.98Å; S426-K466 PolarHBondContact O-NZ 3.46Å
427A85.8Confident92.6Very high35 Ų3546 Ų4629%0.28924%0.243SC..  trans-62.6159.8167.900000111.4S429 N430A427-S429 PolarHBondContact O-N 3.39Å; A427-N430 PolarHBondContact N-ND2 2.6Å; A427-N430 PolarHBondContact O-N 3.33Å
428S85.6Confident92.7Very high53 Ų5342.9 Ų42.937%0.37122%0.224SC..G310 helixtrans-60.8-33.8-174.935.80000114.5N430 Y431 W463 R470S428-N430 PolarHBondContact O-N 3.26Å; S428-Y431 PolarHBondContact O-N 3.4Å; S428-W463 VanDerWaalsContact CA-CZ3 3.42Å; S428-W463 WeakPolarHBondContact O-CH2 3.35Å; S428-R470 PolarHBondContact OG-NH2 3.47Å
429S87.8Confident92.7Very high83 Ų8347.9 Ų47.958%0.5825%0.251SS*.G310 helixtrans-62.7-23.3175.847.20000114A427A427-S429 PolarHBondContact O-N 3.39Å
430N92.1Very high92.7Very high9 Ų949 Ų495%0.04826%0.258CS..G310 helixtrans-86.8-13.4-173.8-48.9-42000113.7R347 I387 A427 S428 Q432 L433 I434R347-N430 PolarHBondContact NH2-ND2 3.03Å; R347-N430 PolarHBondContact NH2-OD1 3.16Å; I387-N430 HydrophobicContact CD1-CB 3.58Å; I387-N430 HydrophobicContact CG1-CB 3.76Å; I387-N430 WeakPolarHBondContact CG1-ND2 3.42Å; A427-N430 PolarHBondContact N-ND2 2.6Å; A427-N430 PolarHBondContact O-N 3.33Å; S428-N430 PolarHBondContact O-N 3.26Å; N430-Q432 VanDerWaalsContact C-N 3.28Å; N430-Q432 PolarHBondContact O-N 3.04Å; N430-L433 WeakPolarHBondContact O-CB 3.28Å; N430-L433 PolarHBondContact O-N 3.06Å; N430-L433 VanDerWaalsContact O-N 3.1Å; N430-I434 WeakPolarHBondContact O-CG1 3.45Å; N430-I434 PolarHBondContact O-N 3.11Å
431Y92.6Very high92.9Very high51 Ų5146 Ų4620%0.224%0.241CC..Hα-helixtrans-61.1-39.7179.9172.9-92.6000111.7S428 L433 I434 N435 V459 N460 W463S428-Y431 PolarHBondContact O-N 3.4Å; Y431-L433 VanDerWaalsContact C-N 3.29Å; Y431-L433 PolarHBondContact O-N 3.24Å; Y431-I434 PolarHBondContact O-N 3.04Å; Y431-N435 WeakPolarHBondContact CE1-ND2 3.29Å; Y431-N435 PolarHBondContact O-N 2.71Å; Y431-N435 PolarHBondContact OH-ND2 2.8Å; Y431-N435 VanDerWaalsContact OH-ND2 3.13Å; Y431-V459 HydrophobicContact CD2-CG1 3.85Å; Y431-V459 HydrophobicContact CE2-CG1 3.65Å; Y431-N460 PolarHBondContact OH-OD1 2.99Å; Y431-W463 HydrophobicContact CD2-CB 4.03Å; Y431-W463 AromaticContact CD2-CD2 3.78Å; Y431-W463 HydrophobicContact CD2-CD2 3.78Å; Y431-W463 AromaticContact CD2-CE3 3.73Å; Y431-W463 HydrophobicContact CD2-CE3 3.73Å; Y431-W463 AromaticContact CD2-CG 3.92Å; Y431-W463 HydrophobicContact CD2-CG 3.92Å; Y431-W463 HydrophobicContact CD2-CZ3 4.27Å; Y431-W463 HydrophobicContact CE2-CB 3.9Å; Y431-W463 HydrophobicContact CE2-CD2 4.27Å; Y431-W463 AromaticContact CE2-CG 3.94Å; Y431-W463 HydrophobicContact CE2-CG 3.94Å; Y431-W463 HydrophobicContact CG-CD2 4.03Å; Y431-W463 AromaticContact CG-CE3 3.9Å; Y431-W463 HydrophobicContact CG-CE3 3.9Å; Y431-W463 HydrophobicContact CG-CH2 4.26Å; Y431-W463 AromaticContact CG-CZ3 3.99Å; Y431-W463 HydrophobicContact CG-CZ3 3.99Å
432Q93.1Very high93.1Very high154 Ų15446.8 Ų46.872%0.7225%0.253SS*.Hα-helixtrans-61.9-37.8174.6-67.7-177.5-7.600112.3N430 K436N430-Q432 VanDerWaalsContact C-N 3.28Å; N430-Q432 PolarHBondContact O-N 3.04Å; Q432-K436 WeakPolarHBondContact O-CB 3.45Å; Q432-K436 PolarHBondContact O-N 3.33Å
433L94.8Very high93.2Very high67 Ų6755.9 Ų55.935%0.35129%0.287SS..Hα-helixtrans-66-47.5176.5178.565.3000111.1I387 N430 Y431 N435 K436 C437I387-L433 HydrophobicContact CG2-CD2 3.93Å; N430-L433 WeakPolarHBondContact O-CB 3.28Å; N430-L433 PolarHBondContact O-N 3.06Å; N430-L433 VanDerWaalsContact O-N 3.1Å; Y431-L433 VanDerWaalsContact C-N 3.29Å; Y431-L433 PolarHBondContact O-N 3.24Å; L433-N435 VanDerWaalsContact C-N 3.34Å; L433-N435 PolarHBondContact O-N 3.33Å; L433-K436 PolarHBondContact O-N 3.29Å; L433-C437 PolarHBondContact O-N 3.45Å; L433-C437 PolarHBondContact O-SG 3.38Å; L433-C437 VanDerWaalsContact O-SG 3.41Å
434I96.1Very high93.4Very high1 Ų158.3 Ų58.31%0.00530%0.299CS..Hα-helixtrans-57.9-48177.9-67.4170.2000110.2I387 F390 I422 N430 Y431 K436 C437 I438 V459I387-I434 HydrophobicContact CD1-CD1 3.84Å; I387-I434 HydrophobicContact CD1-CG1 3.97Å; F390-I434 HydrophobicContact CD1-CG1 4.25Å; F390-I434 HydrophobicContact CE1-CB 4.31Å; F390-I434 HydrophobicContact CE1-CG1 4.05Å; F390-I434 HydrophobicContact CE1-CG2 4.39Å; F390-I434 HydrophobicContact CE2-CG2 4.36Å; F390-I434 HydrophobicContact CZ-CB 4.34Å; F390-I434 HydrophobicContact CZ-CG1 4.34Å; F390-I434 HydrophobicContact CZ-CG2 3.92Å; I422-I434 HydrophobicContact CG2-CD1 4.17Å; N430-I434 WeakPolarHBondContact O-CG1 3.45Å; N430-I434 PolarHBondContact O-N 3.11Å; Y431-I434 PolarHBondContact O-N 3.04Å; I434-K436 PolarHBondContact O-N 2.97Å; I434-C437 WeakPolarHBondContact O-CB 3.35Å; I434-C437 PolarHBondContact O-N 3.19Å; I434-I438 HydrophobicContact CG2-CD1 3.68Å; I434-I438 HydrophobicContact CG2-CG1 4.44Å; I434-I438 VanDerWaalsContact O-CG1 3.31Å; I434-I438 WeakPolarHBondContact O-CG1 3.48Å; I434-I438 PolarHBondContact O-N 2.88Å; I434-V459 HydrophobicContact CG2-CG1 4.05Å; I434-V459 HydrophobicContact CG2-CG2 4.08Å
435N96Very high93.6Very high36 Ų3661.7 Ų61.719%0.19331%0.313CS..Hα-helixtrans-61.3-45177.9-77.5-6.4000112.2Y431 L433 C437 I438 D439Y431-N435 WeakPolarHBondContact CE1-ND2 3.29Å; Y431-N435 PolarHBondContact O-N 2.71Å; Y431-N435 PolarHBondContact OH-ND2 2.8Å; Y431-N435 VanDerWaalsContact OH-ND2 3.13Å; L433-N435 VanDerWaalsContact C-N 3.34Å; L433-N435 PolarHBondContact O-N 3.33Å; N435-C437 VanDerWaalsContact C-N 3.26Å; N435-C437 PolarHBondContact O-N 2.9Å; N435-I438 PolarHBondContact O-N 2.71Å; N435-I438 VanDerWaalsContact O-N 3.08Å; N435-D439 VanDerWaalsContact O-CG 3.26Å; N435-D439 PolarHBondContact O-N 3.03Å
436K96.6Very high93.8Very high145 Ų14562.2 Ų62.263%0.6332%0.315SS*.Hα-helixtrans-59.3-37.6176.8-172.9178.7179.9-178.20112.5Q432 L433 I434 T440Q432-K436 WeakPolarHBondContact O-CB 3.45Å; Q432-K436 PolarHBondContact O-N 3.33Å; L433-K436 PolarHBondContact O-N 3.29Å; I434-K436 PolarHBondContact O-N 2.97Å; K436-T440 WeakPolarHBondContact O-CB 3.38Å; K436-T440 PolarHBondContact O-N 3.06Å; K436-T440 VanDerWaalsContact O-N 3.07Å; K436-T440 PolarHBondContact O-OG1 3.4Å
437C97.1Very high94.3Very high8 Ų862.6 Ų62.65%0.05432%0.316CS..Hα-helixtrans-66.6-43.7174.2-72.50000111.8F390 H394 L433 I434 N435 T440 W441F390-C437 HydrophobicContact CE1-CB 3.58Å; F390-C437 HydrophobicContact CZ-CB 3.89Å; H394-C437 WeakPolarHBondContact ND1-CB 3.38Å; L433-C437 PolarHBondContact O-N 3.45Å; L433-C437 PolarHBondContact O-SG 3.38Å; L433-C437 VanDerWaalsContact O-SG 3.41Å; I434-C437 WeakPolarHBondContact O-CB 3.35Å; I434-C437 PolarHBondContact O-N 3.19Å; N435-C437 VanDerWaalsContact C-N 3.26Å; N435-C437 PolarHBondContact O-N 2.9Å; C437-T440 WeakPolarHBondContact O-CB 3.49Å; C437-T440 PolarHBondContact O-N 3.3Å; C437-W441 VanDerWaalsContact O-CG 3.27Å; C437-W441 PolarHBondContact O-N 3.34Å
438I97.2Very high94.8Very high1 Ų163.4 Ų63.41%0.00532%0.319CS..Hα-helixtrans-64.6-42.2177.4-65.4162.3000111.2I434 N435 T440 W441 S442 I452 I455 V456 V459I434-I438 HydrophobicContact CG2-CD1 3.68Å; I434-I438 HydrophobicContact CG2-CG1 4.44Å; I434-I438 VanDerWaalsContact O-CG1 3.31Å; I434-I438 WeakPolarHBondContact O-CG1 3.48Å; I434-I438 PolarHBondContact O-N 2.88Å; N435-I438 PolarHBondContact O-N 2.71Å; N435-I438 VanDerWaalsContact O-N 3.08Å; I438-T440 VanDerWaalsContact C-N 3.26Å; I438-T440 PolarHBondContact O-N 3.3Å; I438-W441 HydrophobicContact CB-CE3 4.43Å; I438-W441 HydrophobicContact CG1-CE3 4.03Å; I438-W441 HydrophobicContact CG1-CZ3 3.97Å; I438-W441 WeakPolarHBondContact O-CB 3.31Å; I438-W441 PolarHBondContact O-N 3.26Å; I438-W441 VanDerWaalsContact O-N 3.1Å; I438-S442 PolarHBondContact O-N 3.49Å; I438-I452 HydrophobicContact CG2-CD1 4.45Å; I438-I452 HydrophobicContact CG2-CG2 3.82Å; I438-I455 HydrophobicContact CD1-CG2 3.7Å; I438-I455 HydrophobicContact CG1-CG2 4.07Å; I438-V456 HydrophobicContact CG2-CG2 3.62Å; I438-V459 HydrophobicContact CD1-CG2 4.22Å
439D97.1Very high95.3Very high106 Ų10666 Ų6657%0.56734%0.335SS*.Hα-helixtrans-60-40.1174.9-69.7-23.5000111.1N435 S442 R443N435-D439 VanDerWaalsContact O-CG 3.26Å; N435-D439 PolarHBondContact O-N 3.03Å; D439-S442 WeakPolarHBondContact O-CB 3.36Å; D439-S442 PolarHBondContact O-N 2.95Å; D439-R443 WeakPolarHBondContact O-CB 3.36Å; D439-R443 PolarHBondContact O-N 3.41Å
440T97Very high95.7Very high23 Ų2370 Ų7014%0.14134%0.344CS..Hα-helixtrans-62.8-43.4174.5-61.80000111.2I398 K436 C437 I438 S442 R443 L444I398-T440 HydrophobicContact CG2-CG2 4.34Å; K436-T440 WeakPolarHBondContact O-CB 3.38Å; K436-T440 PolarHBondContact O-N 3.06Å; K436-T440 VanDerWaalsContact O-N 3.07Å; K436-T440 PolarHBondContact O-OG1 3.4Å; C437-T440 WeakPolarHBondContact O-CB 3.49Å; C437-T440 PolarHBondContact O-N 3.3Å; I438-T440 VanDerWaalsContact C-N 3.26Å; I438-T440 PolarHBondContact O-N 3.3Å; T440-S442 VanDerWaalsContact C-N 3.35Å; T440-S442 PolarHBondContact O-N 3.12Å; T440-R443 PolarHBondContact O-N 2.99Å; T440-L444 HydrophobicContact CG2-CD1 3.85Å; T440-L444 HydrophobicContact CG2-CG 4.39Å; T440-L444 VanDerWaalsContact O-CB 3.31Å; T440-L444 WeakPolarHBondContact O-CB 3.39Å; T440-L444 VanDerWaalsContact O-CG 3.3Å; T440-L444 WeakPolarHBondContact O-CG 3.39Å; T440-L444 PolarHBondContact O-N 2.89Å
441W97.3Very high96Very high1 Ų169.7 Ų69.70%0.00434%0.342CS..Hα-helixtrans-62.7-40.3175.8-61.4-19.4000112.8F390 H394 L415 C437 I438 K445 L446 F447 I452F390-W441 AromaticContact CE2-CH2 3.55Å; F390-W441 HydrophobicContact CE2-CH2 3.55Å; F390-W441 HydrophobicContact CE2-CZ2 4.29Å; F390-W441 HydrophobicContact CE2-CZ3 4.33Å; F390-W441 AromaticContact CZ-CH2 3.65Å; F390-W441 HydrophobicContact CZ-CH2 3.65Å; F390-W441 HydrophobicContact CZ-CZ2 4.1Å; F390-W441 HydrophobicContact CZ-CZ3 4.35Å; H394-W441 HydrophobicContact CB-CZ2 4.25Å; H394-W441 AromaticContact CE1-NE1 3.69Å; H394-W441 AromaticContact CG-NE1 3.97Å; H394-W441 AromaticContact ND1-CD1 3.73Å; H394-W441 AromaticContact ND1-CE2 3.61Å; H394-W441 AromaticContact ND1-CZ2 3.98Å; H394-W441 AromaticContact ND1-NE1 2.95Å; H394-W441 PolarHBondContact ND1-NE1 3.05Å; L415-W441 HydrophobicContact CD1-CH2 3.8Å; L415-W441 HydrophobicContact CD1-CZ3 4.12Å; C437-W441 VanDerWaalsContact O-CG 3.27Å; C437-W441 PolarHBondContact O-N 3.34Å; I438-W441 HydrophobicContact CB-CE3 4.43Å; I438-W441 HydrophobicContact CG1-CE3 4.03Å; I438-W441 HydrophobicContact CG1-CZ3 3.97Å; I438-W441 WeakPolarHBondContact O-CB 3.31Å; I438-W441 PolarHBondContact O-N 3.26Å; I438-W441 VanDerWaalsContact O-N 3.1Å; W441-K445 PolarHBondContact O-N 3.05Å; W441-L446 PolarHBondContact O-N 3.4Å; W441-F447 HydrophobicContact CB-CD2 4.03Å; W441-F447 HydrophobicContact CB-CE2 4.38Å; W441-F447 HydrophobicContact CD2-CD2 4.19Å; W441-F447 AromaticContact CD2-CE2 3.78Å; W441-F447 HydrophobicContact CD2-CE2 3.78Å; W441-F447 HydrophobicContact CE3-CD2 4.18Å; W441-F447 AromaticContact CE3-CE2 3.92Å; W441-F447 HydrophobicContact CE3-CE2 3.92Å; W441-F447 HydrophobicContact CG-CD2 4.16Å; W441-F447 HydrophobicContact CG-CE2 4.01Å; W441-F447 HydrophobicContact CZ3-CE2 4.47Å; W441-I452 HydrophobicContact CB-CD1 3.88Å; W441-I452 HydrophobicContact CE3-CD1 4.36Å
442S96.6Very high96.2Very high62 Ų6267.9 Ų67.943%0.43434%0.336SS..Hα-helixtrans-62.7-51.9175.5-173.60000111.4I438 D439 T440 L444 K445I438-S442 PolarHBondContact O-N 3.49Å; D439-S442 WeakPolarHBondContact O-CB 3.36Å; D439-S442 PolarHBondContact O-N 2.95Å; T440-S442 VanDerWaalsContact C-N 3.35Å; T440-S442 PolarHBondContact O-N 3.12Å; S442-L444 VanDerWaalsContact C-N 3.29Å; S442-L444 PolarHBondContact O-N 3.22Å; S442-K445 PolarHBondContact O-N 3.38Å
443R96.4Very high96.4Very high191 Ų19163.5 Ų63.572%0.72133%0.326SS*.Hα-helixtrans-59.3-39.6179-177.7177.563.1-172.6-2.7112.5D439 T440 K445D439-R443 WeakPolarHBondContact O-CB 3.36Å; D439-R443 PolarHBondContact O-N 3.41Å; T440-R443 PolarHBondContact O-N 2.99Å; R443-K445 VanDerWaalsContact C-N 3.29Å
444L95.4Very high96.6Very high59 Ų5964.9 Ų64.931%0.30933%0.329SS..THydrogen-bonded Turntrans-83.4-2.9178.9-67.1-179.1000113.4I398 T440 S442 L446I398-L444 HydrophobicContact CG2-CD1 4.38Å; T440-L444 HydrophobicContact CG2-CD1 3.85Å; T440-L444 HydrophobicContact CG2-CG 4.39Å; T440-L444 VanDerWaalsContact O-CB 3.31Å; T440-L444 WeakPolarHBondContact O-CB 3.39Å; T440-L444 VanDerWaalsContact O-CG 3.3Å; T440-L444 WeakPolarHBondContact O-CG 3.39Å; T440-L444 PolarHBondContact O-N 2.89Å; S442-L444 VanDerWaalsContact C-N 3.29Å; S442-L444 PolarHBondContact O-N 3.22Å; L444-L446 HydrophobicContact CB-CD1 3.97Å; L444-L446 HydrophobicContact CB-CD2 4.14Å; L444-L446 HydrophobicContact CB-CG 3.66Å; L444-L446 HydrophobicContact CD1-CD1 4.04Å; L444-L446 PolarHBondContact O-N 3.07Å
445K95Very high96.6Very high187 Ų18764.9 Ų64.981%0.81333%0.329SS*.THydrogen-bonded Turntrans5238.1-176.9-56.5-177179.2-175.90112.7W441 S442 R443 F447W441-K445 PolarHBondContact O-N 3.05Å; S442-K445 PolarHBondContact O-N 3.38Å; R443-K445 VanDerWaalsContact C-N 3.29Å; K445-F447 VanDerWaalsContact C-N 3.34Å
446L94.8Very high96.7Very high32 Ų3265.3 Ų65.317%0.16833%0.333CS..  trans-73.5-29.1-177.7-62.4175.4000111.9V397 I398 I408 W441 L444V397-L446 HydrophobicContact CG1-CB 4.2Å; V397-L446 HydrophobicContact CG1-CD1 3.76Å; I398-L446 HydrophobicContact CG2-CD1 3.96Å; I408-L446 HydrophobicContact CD1-CD2 4.33Å; I408-L446 VanDerWaalsContact CG2-O 3.22Å; I408-L446 WeakPolarHBondContact CG2-O 3.48Å; W441-L446 PolarHBondContact O-N 3.4Å; L444-L446 HydrophobicContact CB-CD1 3.97Å; L444-L446 HydrophobicContact CB-CD2 4.14Å; L444-L446 HydrophobicContact CB-CG 3.66Å; L444-L446 HydrophobicContact CD1-CD1 4.04Å; L444-L446 PolarHBondContact O-N 3.07Å
447F96Very high96.7Very high10 Ų1062 Ų624%0.04433%0.328CS..SBendtrans-126.3158.7174.9-60-81.4000111.5V397 I408 R412 L415 W441 K445 F451 I452V397-F447 HydrophobicContact CG1-CE2 3.74Å; V397-F447 HydrophobicContact CG1-CZ 3.85Å; V397-F447 HydrophobicContact CG2-CZ 4.18Å; I408-F447 HydrophobicContact CG2-CD1 4.01Å; I408-F447 HydrophobicContact CG2-CE1 3.9Å; I408-F447 WeakPolarHBondContact O-CE1 3.28Å; R412-F447 HydrophobicContact CB-CD1 4.18Å; R412-F447 HydrophobicContact CB-CE1 3.95Å; R412-F447 HydrophobicContact CG-CD1 4.44Å; L415-F447 HydrophobicContact CD1-CZ 4.33Å; W441-F447 HydrophobicContact CB-CD2 4.03Å; W441-F447 HydrophobicContact CB-CE2 4.38Å; W441-F447 HydrophobicContact CD2-CD2 4.19Å; W441-F447 AromaticContact CD2-CE2 3.78Å; W441-F447 HydrophobicContact CD2-CE2 3.78Å; W441-F447 HydrophobicContact CE3-CD2 4.18Å; W441-F447 AromaticContact CE3-CE2 3.92Å; W441-F447 HydrophobicContact CE3-CE2 3.92Å; W441-F447 HydrophobicContact CG-CD2 4.16Å; W441-F447 HydrophobicContact CG-CE2 4.01Å; W441-F447 HydrophobicContact CZ3-CE2 4.47Å; K445-F447 VanDerWaalsContact C-N 3.34Å; F447-F451 HydrophobicContact CB-CD1 3.37Å; F447-F451 HydrophobicContact CB-CE1 3.87Å; F447-F451 HydrophobicContact CB-CG 4.28Å; F447-F451 AromaticContact CD1-CD1 3.83Å; F447-F451 HydrophobicContact CD1-CD1 3.83Å; F447-F451 AromaticContact CD1-CE1 3.59Å; F447-F451 HydrophobicContact CD1-CE1 3.59Å; F447-F451 HydrophobicContact CD1-CZ 4.25Å; F447-F451 HydrophobicContact CD2-CD1 4.21Å; F447-F451 AromaticContact CD2-CE1 3.82Å; F447-F451 HydrophobicContact CD2-CE1 3.82Å; F447-F451 HydrophobicContact CE1-CE1 4.01Å; F447-F451 HydrophobicContact CE1-CZ 4.36Å; F447-F451 HydrophobicContact CE2-CE1 4.22Å; F447-F451 AromaticContact CG-CD1 3.56Å; F447-F451 HydrophobicContact CG-CD1 3.56Å; F447-F451 AromaticContact CG-CE1 3.49Å; F447-F451 HydrophobicContact CG-CE1 3.49Å; F447-F451 VanDerWaalsContact CG-CE1 3.49Å; F447-F451 HydrophobicContact CZ-CE1 4.31Å; F447-I452 HydrophobicContact CB-CD1 3.93Å; F447-I452 HydrophobicContact CB-CG1 4.17Å; F447-I452 HydrophobicContact CD2-CD1 4.07Å; F447-I452 HydrophobicContact CG-CD1 4.44Å
448P95.9Very high96.7Very high52 Ų5263.8 Ų63.834%0.33833%0.333SS..  trans-58142.8172.9-24.134.7000112Q450 F451 I452P448-Q450 PolarHBondContact O-N 3.39Å; P448-Q450 VanDerWaalsContact O-N 3.16Å; P448-F451 WeakPolarHBondContact O-CB 3.42Å; P448-F451 PolarHBondContact O-N 2.89Å; P448-I452 PolarHBondContact O-N 3Å; P448-I452 VanDerWaalsContact O-N 3.13Å
449P96.6Very high96.7Very high108 Ų10863.8 Ų63.870%0.70133%0.333SS*.Hα-helixtrans-54.8-36.7179.6-27.634.8000113.9F451 I452 A453P449-F451 VanDerWaalsContact C-N 3.32Å; P449-F451 PolarHBondContact O-N 3.45Å; P449-I452 PolarHBondContact O-N 3.32Å; P449-A453 WeakPolarHBondContact O-CB 3.33Å; P449-A453 PolarHBondContact O-N 3.42Å
450Q97Very high96.6Very high167 Ų16761.4 Ų61.478%0.7832%0.321SS*.Hα-helixtrans-62.8-37.8177.1-61.11753.900112.5P448 K454P448-Q450 PolarHBondContact O-N 3.39Å; P448-Q450 VanDerWaalsContact O-N 3.16Å; Q450-K454 WeakPolarHBondContact O-CB 3.5Å; Q450-K454 PolarHBondContact O-N 3.2Å
451F97.2Very high96.5Very high3 Ų366.4 Ų66.41%0.01334%0.342CS..Hα-helixtrans-68.8-44.6175.4168.2-92.1000110.6R412 L415 E416 F447 P448 P449 A453 K454 I455R412-F451 HydrophobicContact CB-CE2 4.43Å; R412-F451 HydrophobicContact CG-CD2 3.69Å; R412-F451 HydrophobicContact CG-CE2 3.63Å; R412-F451 HydrophobicContact CG-CG 4.29Å; R412-F451 HydrophobicContact CG-CZ 4.16Å; L415-F451 HydrophobicContact CB-CZ 4.17Å; L415-F451 HydrophobicContact CD1-CZ 4.43Å; E416-F451 HydrophobicContact CG-CD2 3.85Å; E416-F451 HydrophobicContact CG-CE2 3.49Å; E416-F451 VanDerWaalsContact CG-CE2 3.49Å; E416-F451 WeakPolarHBondContact OE1-CD2 3.35Å; F447-F451 HydrophobicContact CB-CD1 3.37Å; F447-F451 HydrophobicContact CB-CE1 3.87Å; F447-F451 HydrophobicContact CB-CG 4.28Å; F447-F451 AromaticContact CD1-CD1 3.83Å; F447-F451 HydrophobicContact CD1-CD1 3.83Å; F447-F451 AromaticContact CD1-CE1 3.59Å; F447-F451 HydrophobicContact CD1-CE1 3.59Å; F447-F451 HydrophobicContact CD1-CZ 4.25Å; F447-F451 HydrophobicContact CD2-CD1 4.21Å; F447-F451 AromaticContact CD2-CE1 3.82Å; F447-F451 HydrophobicContact CD2-CE1 3.82Å; F447-F451 HydrophobicContact CE1-CE1 4.01Å; F447-F451 HydrophobicContact CE1-CZ 4.36Å; F447-F451 HydrophobicContact CE2-CE1 4.22Å; F447-F451 AromaticContact CG-CD1 3.56Å; F447-F451 HydrophobicContact CG-CD1 3.56Å; F447-F451 AromaticContact CG-CE1 3.49Å; F447-F451 HydrophobicContact CG-CE1 3.49Å; F447-F451 VanDerWaalsContact CG-CE1 3.49Å; F447-F451 HydrophobicContact CZ-CE1 4.31Å; P448-F451 WeakPolarHBondContact O-CB 3.42Å; P448-F451 PolarHBondContact O-N 2.89Å; P449-F451 VanDerWaalsContact C-N 3.32Å; P449-F451 PolarHBondContact O-N 3.45Å; F451-A453 PolarHBondContact O-N 3.43Å; F451-K454 WeakPolarHBondContact O-CB 3.44Å; F451-K454 PolarHBondContact O-N 3.45Å; F451-I455 HydrophobicContact CD1-CG1 4.16Å; F451-I455 HydrophobicContact CD2-CG1 4.24Å; F451-I455 HydrophobicContact CE1-CG1 3.75Å; F451-I455 HydrophobicContact CE2-CD1 3.92Å; F451-I455 HydrophobicContact CE2-CG1 3.78Å; F451-I455 HydrophobicContact CG-CG1 4.43Å; F451-I455 HydrophobicContact CZ-CD1 3.87Å; F451-I455 HydrophobicContact CZ-CG1 3.55Å; F451-I455 WeakPolarHBondContact O-CG1 3.2Å; F451-I455 PolarHBondContact O-N 2.92Å
452I97.8Very high96.3Very high13 Ų1367 Ų677%0.06735%0.348CS..Hα-helixtrans-58-48.5176.3-63.8-63.2000110.5I438 W441 F447 P448 P449 K454 I455 V456I438-I452 HydrophobicContact CG2-CD1 4.45Å; I438-I452 HydrophobicContact CG2-CG2 3.82Å; W441-I452 HydrophobicContact CB-CD1 3.88Å; W441-I452 HydrophobicContact CE3-CD1 4.36Å; F447-I452 HydrophobicContact CB-CD1 3.93Å; F447-I452 HydrophobicContact CB-CG1 4.17Å; F447-I452 HydrophobicContact CD2-CD1 4.07Å; F447-I452 HydrophobicContact CG-CD1 4.44Å; P448-I452 PolarHBondContact O-N 3Å; P448-I452 VanDerWaalsContact O-N 3.13Å; P449-I452 PolarHBondContact O-N 3.32Å; I452-K454 VanDerWaalsContact C-N 3.33Å; I452-K454 PolarHBondContact O-N 3.31Å; I452-I455 PolarHBondContact O-N 3.37Å; I452-V456 HydrophobicContact CG2-CG2 4.34Å; I452-V456 WeakPolarHBondContact O-CG2 3.34Å; I452-V456 PolarHBondContact O-N 3.41Å
453A97.4Very high96.1Very high61 Ų6167.2 Ų67.250%0.50434%0.339SS..Hα-helixtrans-58.5-43.1177.300000112.4P449 F451 V456 S457P449-A453 WeakPolarHBondContact O-CB 3.33Å; P449-A453 PolarHBondContact O-N 3.42Å; F451-A453 PolarHBondContact O-N 3.43Å; A453-V456 PolarHBondContact O-N 2.96Å; A453-S457 WeakPolarHBondContact O-CB 3.5Å; A453-S457 PolarHBondContact O-N 3.07Å
454K97.5Very high95.9Very high97 Ų9761 Ų6142%0.42233%0.325SS..Hα-helixtrans-61.3-44.7175.7-175.6-178.6179.5-175.50112.1E416 Q450 F451 I452 R458E416-K454 IonicContact OE2-NZ 3.3Å; E416-K454 PolarHBondContact OE2-NZ 2.88Å; Q450-K454 WeakPolarHBondContact O-CB 3.5Å; Q450-K454 PolarHBondContact O-N 3.2Å; F451-K454 WeakPolarHBondContact O-CB 3.44Å; F451-K454 PolarHBondContact O-N 3.45Å; I452-K454 VanDerWaalsContact C-N 3.33Å; I452-K454 PolarHBondContact O-N 3.31Å; K454-R458 WeakPolarHBondContact O-CG 3.32Å; K454-R458 PolarHBondContact O-N 3.21Å; K454-R458 VanDerWaalsContact O-N 3.14Å
455I97.5Very high95.8Very high1 Ų161.1 Ų61.11%0.00533%0.33CS..Hα-helixtrans-63.7-47.7177.5-69.7-61.1000110.9L415 I419 I438 F451 I452 S457 R458 V459L415-I455 HydrophobicContact CB-CD1 4.49Å; I419-I455 HydrophobicContact CB-CD1 4.01Å; I419-I455 HydrophobicContact CD1-CG2 4.23Å; I419-I455 HydrophobicContact CG1-CD1 4.17Å; I419-I455 HydrophobicContact CG1-CG2 4.12Å; I419-I455 HydrophobicContact CG2-CD1 3.82Å; I438-I455 HydrophobicContact CD1-CG2 3.7Å; I438-I455 HydrophobicContact CG1-CG2 4.07Å; F451-I455 HydrophobicContact CD1-CG1 4.16Å; F451-I455 HydrophobicContact CD2-CG1 4.24Å; F451-I455 HydrophobicContact CE1-CG1 3.75Å; F451-I455 HydrophobicContact CE2-CD1 3.92Å; F451-I455 HydrophobicContact CE2-CG1 3.78Å; F451-I455 HydrophobicContact CG-CG1 4.43Å; F451-I455 HydrophobicContact CZ-CD1 3.87Å; F451-I455 HydrophobicContact CZ-CG1 3.55Å; F451-I455 WeakPolarHBondContact O-CG1 3.2Å; F451-I455 PolarHBondContact O-N 2.92Å; I452-I455 PolarHBondContact O-N 3.37Å; I455-S457 PolarHBondContact O-N 3.21Å; I455-R458 PolarHBondContact O-N 3.44Å; I455-V459 HydrophobicContact CG2-CG2 4.38Å; I455-V459 VanDerWaalsContact O-CG2 3.31Å; I455-V459 WeakPolarHBondContact O-CG2 3.29Å; I455-V459 PolarHBondContact O-N 3.37Å
456V97.4Very high95.4Very high45 Ų4554.5 Ų54.527%0.27330%0.302SS..Hα-helixtrans-58.5-47.3177.31720000111.1I438 I452 A453 R458 V459 N460I438-V456 HydrophobicContact CG2-CG2 3.62Å; I452-V456 HydrophobicContact CG2-CG2 4.34Å; I452-V456 WeakPolarHBondContact O-CG2 3.34Å; I452-V456 PolarHBondContact O-N 3.41Å; A453-V456 PolarHBondContact O-N 2.96Å; V456-R458 VanDerWaalsContact C-N 3.29Å; V456-R458 PolarHBondContact O-N 3.32Å; V456-V459 PolarHBondContact O-N 3.12Å; V456-N460 WeakPolarHBondContact O-CB 3.41Å; V456-N460 PolarHBondContact O-N 2.92Å; V456-N460 PolarHBondContact O-ND2 3.39Å
457S97.2Very high95Very high74 Ų7459 Ų5952%0.51732%0.32SS..Hα-helixtrans-56.9-43.4178.3-173.50000112A453 I455 N460 Q461A453-S457 WeakPolarHBondContact O-CB 3.5Å; A453-S457 PolarHBondContact O-N 3.07Å; I455-S457 PolarHBondContact O-N 3.21Å; S457-N460 PolarHBondContact O-N 2.87Å; S457-Q461 WeakPolarHBondContact O-CB 3.48Å; S457-Q461 PolarHBondContact O-N 3.49Å
458R97Very high94.5Very high47 Ų4763.3 Ų63.318%0.17734%0.344CS..Hα-helixtrans-70.7-41.2-179.5-76.4178.974.3175.75.8113.2E416 I419 D420 K454 I455 V456 N460 Q461 A462E416-R458 PolarHBondContact O-NH1 2.97Å; E416-R458 PolarHBondContact O-NH2 2.89Å; I419-R458 HydrophobicContact CG2-CB 4.16Å; D420-R458 VanDerWaalsContact CG-NE 3.32Å; D420-R458 WeakPolarHBondContact OD1-CB 3.4Å; D420-R458 IonicContact OD1-CZ 2.8Å; D420-R458 IonicContact OD1-NE 2.95Å; D420-R458 PolarHBondContact OD1-NE 2.87Å; D420-R458 IonicContact OD1-NH2 3.91Å; D420-R458 PolarHBondContact OD1-NH2 3.29Å; D420-R458 IonicContact OD2-CZ 3.31Å; D420-R458 VanDerWaalsContact OD2-CZ 3.3Å; D420-R458 IonicContact OD2-NE 3.04Å; D420-R458 PolarHBondContact OD2-NE 3.29Å; D420-R458 IonicContact OD2-NH2 2.71Å; D420-R458 PolarHBondContact OD2-NH2 3.35Å; K454-R458 WeakPolarHBondContact O-CG 3.32Å; K454-R458 PolarHBondContact O-N 3.21Å; K454-R458 VanDerWaalsContact O-N 3.14Å; I455-R458 PolarHBondContact O-N 3.44Å; V456-R458 VanDerWaalsContact C-N 3.29Å; V456-R458 PolarHBondContact O-N 3.32Å; R458-N460 VanDerWaalsContact C-N 3.3Å; R458-N460 PolarHBondContact O-N 3.15Å; R458-Q461 PolarHBondContact O-N 3.09Å; R458-A462 WeakPolarHBondContact O-CB 3.44Å; R458-A462 PolarHBondContact O-N 3.39Å
459V95.8Very high93.8Very high1 Ų165.5 Ų65.51%0.00635%0.352CS..Hα-helixtrans-60.9-42.3173.81720000110.4I419 A423 Y431 I434 I438 I455 V456 W463I419-V459 HydrophobicContact CD1-CG2 3.81Å; I419-V459 HydrophobicContact CG1-CG2 3.57Å; A423-V459 HydrophobicContact CB-CG2 4.32Å; Y431-V459 HydrophobicContact CD2-CG1 3.85Å; Y431-V459 HydrophobicContact CE2-CG1 3.65Å; I434-V459 HydrophobicContact CG2-CG1 4.05Å; I434-V459 HydrophobicContact CG2-CG2 4.08Å; I438-V459 HydrophobicContact CD1-CG2 4.22Å; I455-V459 HydrophobicContact CG2-CG2 4.38Å; I455-V459 VanDerWaalsContact O-CG2 3.31Å; I455-V459 WeakPolarHBondContact O-CG2 3.29Å; I455-V459 PolarHBondContact O-N 3.37Å; V456-V459 PolarHBondContact O-N 3.12Å; V459-W463 VanDerWaalsContact O-CB 3.22Å; V459-W463 WeakPolarHBondContact O-CB 3.48Å; V459-W463 PolarHBondContact O-N 3.43Å
460N95.5Very high92.7Very high56 Ų5666.9 Ų66.930%0.29934%0.344SS..Hα-helixtrans-67.4-39.2176.5-69.3-12.1000113Y431 V456 S457 R458 W463 S464Y431-N460 PolarHBondContact OH-OD1 2.99Å; V456-N460 WeakPolarHBondContact O-CB 3.41Å; V456-N460 PolarHBondContact O-N 2.92Å; V456-N460 PolarHBondContact O-ND2 3.39Å; S457-N460 PolarHBondContact O-N 2.87Å; R458-N460 VanDerWaalsContact C-N 3.3Å; R458-N460 PolarHBondContact O-N 3.15Å; N460-W463 PolarHBondContact O-N 3.06Å; N460-S464 WeakPolarHBondContact O-CB 3.48Å; N460-S464 PolarHBondContact O-N 3.03Å; N460-S464 PolarHBondContact O-OG 3.31Å
461Q95.4Very high91.7Very high127 Ų12766 Ų6659%0.59334%0.337SS*.Hα-helixtrans-65.4-52.2176.9-175.2179.47.200111S457 R458 W463 S464 S465S457-Q461 WeakPolarHBondContact O-CB 3.48Å; S457-Q461 PolarHBondContact O-N 3.49Å; R458-Q461 PolarHBondContact O-N 3.09Å; Q461-W463 PolarHBondContact O-N 3.42Å; Q461-S464 PolarHBondContact O-N 3.02Å; Q461-S464 VanDerWaalsContact O-N 3.09Å; Q461-S465 PolarHBondContact O-N 3.13Å; Q461-S465 PolarHBondContact O-OG 3.05Å
462A93.6Very high90.3Very high14 Ų1470.8 Ų70.812%0.11637%0.367CS..Hα-helixtrans-57.9-36.2177.400000112A423 R458 K466A423-A462 HydrophobicContact CB-CB 3.66Å; R458-A462 WeakPolarHBondContact O-CB 3.44Å; R458-A462 PolarHBondContact O-N 3.39Å; A462-K466 PolarHBondContact O-N 3.22Å
463W91.4Very high88.4Confident66 Ų6674.8 Ų74.825%0.2540%0.396CS..Hα-helixtrans-66.7-46174.5-178.5-100.8000113.5S428 Y431 V459 N460 Q461 K466 K467S428-W463 VanDerWaalsContact CA-CZ3 3.42Å; S428-W463 WeakPolarHBondContact O-CH2 3.35Å; Y431-W463 HydrophobicContact CD2-CB 4.03Å; Y431-W463 AromaticContact CD2-CD2 3.78Å; Y431-W463 HydrophobicContact CD2-CD2 3.78Å; Y431-W463 AromaticContact CD2-CE3 3.73Å; Y431-W463 HydrophobicContact CD2-CE3 3.73Å; Y431-W463 AromaticContact CD2-CG 3.92Å; Y431-W463 HydrophobicContact CD2-CG 3.92Å; Y431-W463 HydrophobicContact CD2-CZ3 4.27Å; Y431-W463 HydrophobicContact CE2-CB 3.9Å; Y431-W463 HydrophobicContact CE2-CD2 4.27Å; Y431-W463 AromaticContact CE2-CG 3.94Å; Y431-W463 HydrophobicContact CE2-CG 3.94Å; Y431-W463 HydrophobicContact CG-CD2 4.03Å; Y431-W463 AromaticContact CG-CE3 3.9Å; Y431-W463 HydrophobicContact CG-CE3 3.9Å; Y431-W463 HydrophobicContact CG-CH2 4.26Å; Y431-W463 AromaticContact CG-CZ3 3.99Å; Y431-W463 HydrophobicContact CG-CZ3 3.99Å; V459-W463 VanDerWaalsContact O-CB 3.22Å; V459-W463 WeakPolarHBondContact O-CB 3.48Å; V459-W463 PolarHBondContact O-N 3.43Å; N460-W463 PolarHBondContact O-N 3.06Å; Q461-W463 PolarHBondContact O-N 3.42Å; W463-K466 PolarHBondContact O-N 2.91Å; W463-K467 PolarHBondContact O-N 2.95Å
464S93Very high86.4Confident62 Ų6275.3 Ų75.343%0.43440%0.4SS..Hα-helixtrans-64.5-43.5-178.2-57.10000110.8N460 Q461 K466 K467 D468N460-S464 WeakPolarHBondContact O-CB 3.48Å; N460-S464 PolarHBondContact O-N 3.03Å; N460-S464 PolarHBondContact O-OG 3.31Å; Q461-S464 PolarHBondContact O-N 3.02Å; Q461-S464 VanDerWaalsContact O-N 3.09Å; S464-K466 VanDerWaalsContact C-N 3.26Å; S464-K466 PolarHBondContact O-N 3.08Å; S464-K467 WeakPolarHBondContact O-CB 3.01Å; S464-K467 PolarHBondContact O-N 3.36Å; S464-D468 PolarHBondContact O-N 3.21Å
465S92.1Very high84.3Confident60 Ų6074.6 Ų74.642%0.4241%0.413SS..Hα-helixtrans-57.2-38.7174.8-56.60000112.6Q461 K467 D468 D469Q461-S465 PolarHBondContact O-N 3.13Å; Q461-S465 PolarHBondContact O-OG 3.05Å; S465-K467 VanDerWaalsContact C-N 3.28Å; S465-K467 PolarHBondContact O-N 3.3Å; S465-D468 PolarHBondContact O-N 2.97Å; S465-D469 PolarHBondContact O-N 3.49Å
466K87.3Confident81.9Confident49 Ų4982 Ų8221%0.21345%0.452CS..Hα-helixtrans-70.8-22.7177.7-165.5171.3-170.7163.30113.5F424 S426 A462 W463 S464F424-K466 PolarHBondContact O-NZ 3.21Å; S426-K466 PolarHBondContact O-NZ 3.46Å; A462-K466 PolarHBondContact O-N 3.22Å; W463-K466 PolarHBondContact O-N 2.91Å; S464-K466 VanDerWaalsContact C-N 3.26Å; S464-K466 PolarHBondContact O-N 3.08Å
467K86.1Confident79.2Confident125 Ų12588.8 Ų88.854%0.54348%0.478SS..Hα-helixtrans-74.3-39.2176.5-166.4-179.1177.7-173.50110.4W463 S464 S465 R470 F471W463-K467 PolarHBondContact O-N 2.95Å; S464-K467 WeakPolarHBondContact O-CB 3.01Å; S464-K467 PolarHBondContact O-N 3.36Å; S465-K467 VanDerWaalsContact C-N 3.28Å; S465-K467 PolarHBondContact O-N 3.3Å; K467-R470 PolarHBondContact O-N 3.21Å; K467-F471 HydrophobicContact CG-CE2 4.15Å; K467-F471 VanDerWaalsContact O-CD2 3.29Å; K467-F471 WeakPolarHBondContact O-CD2 3.29Å
468D86.1Confident76.4Confident102 Ų10290.6 Ų90.655%0.54549%0.488SS..Hα-helixtrans-68.2-38.5-178.5-63.1-24.2000112S464 S465 R470 F471 T472S464-D468 PolarHBondContact O-N 3.21Å; S465-D468 PolarHBondContact O-N 2.97Å; D468-R470 PolarHBondContact O-N 2.97Å; D468-F471 PolarHBondContact O-N 3.48Å; D468-T472 PolarHBondContact O-N 3.27Å
469D80.6Confident73.5Confident97 Ų9796 Ų9652%0.51952%0.521SS..Hα-helixtrans-61.4-27.8175.5-72.4-20.5000113.7S465 F471 T472 S473S465-D469 PolarHBondContact O-N 3.49Å; D469-F471 VanDerWaalsContact C-N 3.33Å; D469-T472 PolarHBondContact O-OG1 3.05Å; D469-S473 PolarHBondContact O-N 2.84Å
470R74.8Confident70.7Confident138 Ų138101.5 Ų101.552%0.52156%0.559SS.*Hα-helixtrans-73.5-27176.4-68.4-168.7-152.2-1715.3112.5S428 K467 D468S428-R470 PolarHBondContact OG-NH2 3.47Å; K467-R470 PolarHBondContact O-N 3.21Å; D468-R470 PolarHBondContact O-N 2.97Å
471F75.3Confident67.8Low148 Ų148105.1 Ų105.165%0.64958%0.583SS**Hα-helixtrans-81.8-30.3178.7-75.3-74.7000112.3K467 D468 D469K467-F471 HydrophobicContact CG-CE2 4.15Å; K467-F471 VanDerWaalsContact O-CD2 3.29Å; K467-F471 WeakPolarHBondContact O-CD2 3.29Å; D468-F471 PolarHBondContact O-N 3.48Å; D469-F471 VanDerWaalsContact C-N 3.33Å
472T67.7Low64.7Low103 Ų103108.8 Ų108.863%0.63260%0.597SS**Hα-helixtrans-74.9-32.8178.852.20000113.1D468 D469 A474D468-T472 PolarHBondContact O-N 3.27Å; D469-T472 PolarHBondContact O-OG1 3.05Å; T472-A474 VanDerWaalsContact C-N 3.31Å; T472-A474 PolarHBondContact O-N 3.03Å
473S57.9Low61.8Low97 Ų97112.8 Ų112.868%0.67862%0.624SS**THydrogen-bonded Turntrans-76.7-10.5178.472.90000115.4D469D469-S473 PolarHBondContact O-N 2.84Å
474A55.4Low58.8Low72 Ų72120.3 Ų120.360%0.59565%0.653SS**THydrogen-bonded Turntrans-86.8-10.4-179.100000113.9T472 D476T472-A474 VanDerWaalsContact C-N 3.31Å; T472-A474 PolarHBondContact O-N 3.03Å; A474-D476 VanDerWaalsContact C-N 3.31Å; A474-D476 PolarHBondContact O-N 2.97Å
475A53.8Low55.6Low83 Ų83126 Ų12669%0.68667%0.672SS**THydrogen-bonded Turntrans-76-12.9-176.900000114.4
476D45.9Very low52.6Low155 Ų155133 Ų13383%0.82970%0.696SS**THydrogen-bonded Turntrans-111.138.6-177-85.5-23.5000114.5A474A474-D476 VanDerWaalsContact C-N 3.31Å; A474-D476 PolarHBondContact O-N 2.97Å
477K42.1Very low49.7Very low188 Ų188140.2 Ų140.282%0.81773%0.727SS**  trans-132.6110.2161.5-76.3-169.8178.6179.70111.9
478P38.6Very low47Very low113 Ų113140.5 Ų140.573%0.73474%0.739SS**  trans-78.9139.8179.131.3-31.5000111.7
479N35.1Very low44.2Very low160 Ų160141.6 Ų141.686%0.85675%0.749SS**  trans60.996.4152.5-61.9-22.7000119.7
480S36.8Very low41.4Very low117 Ų117145.5 Ų145.582%0.81876%0.764SS**  trans-154.498.3130.276.30000113.2
481V35.4Very low39.3Very low132 Ų132144 Ų14480%0.877%0.772SS**  trans28.5108139.7-171.40000120.3
482K30.6Very low36.8Very low203 Ų203142.2 Ų142.288%0.88378%0.778SS**  34.2125.1130-58.3177.9178.4176.70120.1
483S31.2Very low34.8Very low99 Ų99146.3 Ų146.369%0.69279%0.787SS**  -173.6123.9118.3-170.40000114
484R29.9Very low33.1Very low224 Ų224148 Ų14885%0.84579%0.788SS**  trans53.5107.3143.5-62.6173.9-167.6179.83.2119.4
485H25.3Very low31.8Very low182 Ų182152 Ų15284%0.84380%0.798SS**  61.697.386.9-83.915.8000115.2
486F29.6Very low30.4Very low207 Ų207153.8 Ų153.891%0.90880%0.796SS**  trans-137.2116.5143.4-104.7-85.8000109.2
487K25.1Very low29.5Very low199 Ų199151.8 Ų151.887%0.86579%0.794SS**  trans-92.9119.2171.6-126.2178.7-178.81790105.6
488V30.1Very low28.7Very low132 Ų132147 Ų14780%0.879%0.79SS**  trans-131.6120.9161.3-179.50000107.6
489V27Very low28.1Very low124 Ų124150 Ų15075%0.75279%0.794SS**  trans-84.1137.4-172.2170.20000109.5
490H22.1Very low27.5Very low180 Ų180150.5 Ų150.583%0.83379%0.793SS**  trans-63.6143.1169.6-87.7-96.1000112.4
491P30.1Very low27Very low107 Ų107150.2 Ų150.270%0.69579%0.791SS**  trans-102.3112.3150.429.7-17.1000109.8
492S24Very low26.5Very low110 Ų110148.5 Ų148.577%0.76979%0.785SS**  trans-68.8124.9161.743.20000110.1
493F25Very low26.2Very low189 Ų189143.7 Ų143.783%0.82978%0.777SS**  trans-114109.5160-97.2-87.4000108
494N22.1Very low25.9Very low132 Ų132144.3 Ų144.371%0.70678%0.777SS**  trans-114.2117.8173.3-146.821.8000105.3
495I28.4Very low25.7Very low155 Ų155140 Ų14080%0.79577%0.77SS**  trans-132.6105.1163.9-62.9-178.4000106
496D24.8Very low25.7Very low122 Ų122139.4 Ų139.465%0.65277%0.768SS**  trans-78142.7170.4-81.4-47.4000111.3
497S25.6Very low25.6Very low113 Ų113134.7 Ų134.779%0.7976%0.761SS**  trans66.1149.3132.6-67.30000123.5
498A25.7Very low25.7Very low87 Ų87134.5 Ų134.572%0.71976%0.763SS**  trans78.6138.2157.300000115.5
499E25.5Very low25.8Very low175 Ų175135.2 Ų135.282%0.81876%0.762SS**  cis-168.2137.510-111.6164.1-177.900105.2
500M23.5Very low26Very low172 Ų172138.9 Ų138.985%0.84777%0.771SS**  54.6141.1100.6-80.1-76.7-164.200117
501S27.2Very low26.8Very low110 Ų110138.2 Ų138.277%0.76977%0.768SS**  trans88.4131.1165.3-29.80000114
502S24.7Very low27.2Very low96 Ų96140.9 Ų140.967%0.67178%0.777SS**  cis152.9138.8-5470000104.5
503S22.7Very low28Very low102 Ų102139 Ų13971%0.71376%0.761SS**  trans54.6126.7147.664.60000119.8
504T26.5Very low29.6Very low113 Ų113133.6 Ų133.669%0.69374%0.74SS**  158.8117.199.7-59.60000110
505D24.6Very low30.6Very low132 Ų132131 Ų13171%0.70673%0.73SS**  trans50.6144.4138.9-68.2-15000125.6
506Q25.6Very low31.7Very low170 Ų170129.9 Ų129.979%0.79472%0.72SS**  trans79.3106.5142.4-77.7169.442.700119.1
507S27.5Very low33.4Very low108 Ų108126.1 Ų126.176%0.75571%0.706SS**  154.11428955.50000111.2N509S507-N509 PolarHBondContact O-N 3.44Å
508E27.3Very low34.9Very low196 Ų196123 Ų12392%0.91668%0.682SS**  trans-58.3113.1178.4-64.5174137.300111.3
509N32.3Very low35.9Very low147 Ų147123.1 Ų123.179%0.78667%0.67SS**  trans-119.6116.9160.9-112.8-29.7000108.1S507 Q511S507-N509 PolarHBondContact O-N 3.44Å; N509-Q511 PolarHBondContact O-N 3.17Å
510Q30.8Very low37.5Very low200 Ų200123.1 Ų123.194%0.93566%0.663SS**  trans-58.386.9174.3-72.3177.5-6.100109.2N512Q510-N512 PolarHBondContact O-N 3Å; Q510-N512 VanDerWaalsContact O-N 3.09Å
511Q39.2Very low39Very low166 Ų166120.9 Ų120.978%0.77665%0.65SS**  trans-67.4113.3177.3-83.3179.6-15.900108.7N509 V513N509-Q511 PolarHBondContact O-N 3.17Å; Q511-V513 WeakPolarHBondContact O-CG2 3.49Å; Q511-V513 PolarHBondContact O-N 3.26Å
512N37.5Very low40Very low164 Ų164118 Ų11888%0.87762%0.624SS**  trans-63.483.7165-164.97.7000107.9Q510 D514Q510-N512 PolarHBondContact O-N 3Å; Q510-N512 VanDerWaalsContact O-N 3.09Å; N512-D514 PolarHBondContact O-N 3.09Å
513V42.2Very low41.2Very low70 Ų70117.7 Ų117.742%0.42462%0.618SS.*  trans-65.9107.8-175.6-172.80000108.6Q511 P515 T518Q511-V513 WeakPolarHBondContact O-CG2 3.49Å; Q511-V513 PolarHBondContact O-N 3.26Å; V513-P515 WeakPolarHBondContact O-CD 3.41Å; V513-T518 VanDerWaalsContact CG1-OG1 3.23Å; V513-T518 WeakPolarHBondContact CG1-OG1 3.4Å
514D56.9Low42.8Very low76 Ų76119.8 Ų119.841%0.40661%0.611SS.*  trans-54118.9174.1174.98.9000109.5N512 K516 A517 T518N512-D514 PolarHBondContact O-N 3.09Å; D514-K516 PolarHBondContact O-N 2.88Å; D514-K516 VanDerWaalsContact O-N 3.11Å; D514-K516 WeakPolarHBondContact OD1-CB 3.48Å; D514-K516 PolarHBondContact OD1-N 3.19Å; D514-A517 HydrophobicContact CB-CB 4Å; D514-A517 WeakPolarHBondContact O-CB 3.24Å; D514-A517 PolarHBondContact O-N 3.21Å; D514-T518 PolarHBondContact O-N 3.27Å; D514-T518 VanDerWaalsContact O-N 3.14Å; D514-T518 PolarHBondContact O-OG1 3.19Å
515P45Very low43.8Very low76 Ų76117.2 Ų117.249%0.49459%0.593SS.*Hα-helixtrans-54-31.4177-25.433.6000112.8V513 L519V513-P515 WeakPolarHBondContact O-CD 3.41Å; P515-L519 PolarHBondContact O-N 3.3Å; P515-L519 VanDerWaalsContact O-N 3.1Å
516K50.1Low44.8Very low132 Ų132114.5 Ų114.557%0.57458%0.581SS**Hα-helixtrans-71.5-34.2176.9-67.7179.4179.1174.30112.7D514 L519 R520D514-K516 PolarHBondContact O-N 2.88Å; D514-K516 VanDerWaalsContact O-N 3.11Å; D514-K516 WeakPolarHBondContact OD1-CB 3.48Å; D514-K516 PolarHBondContact OD1-N 3.19Å; K516-L519 PolarHBondContact O-N 3.31Å; K516-R520 PolarHBondContact O-N 3.14Å; K516-R520 VanDerWaalsContact O-N 3.09Å
517A61.9Low45.9Very low44 Ų44116.4 Ų116.436%0.36458%0.581SS.*Hα-helixtrans-67.5-44.8175.600000110.3D514 L519 R520 E521D514-A517 HydrophobicContact CB-CB 4Å; D514-A517 WeakPolarHBondContact O-CB 3.24Å; D514-A517 PolarHBondContact O-N 3.21Å; A517-L519 VanDerWaalsContact C-N 3.25Å; A517-L519 PolarHBondContact O-N 3.43Å; A517-R520 PolarHBondContact O-N 3.5Å; A517-R520 VanDerWaalsContact O-N 3.13Å; A517-E521 PolarHBondContact O-N 3.13Å
518T56.3Low46.7Very low47 Ų47116.7 Ų116.729%0.28857%0.57SS.*Hα-helixtrans-57.7-40175-49.90000111.4V513 D514 F522V513-T518 VanDerWaalsContact CG1-OG1 3.23Å; V513-T518 WeakPolarHBondContact CG1-OG1 3.4Å; D514-T518 PolarHBondContact O-N 3.27Å; D514-T518 VanDerWaalsContact O-N 3.14Å; D514-T518 PolarHBondContact O-OG1 3.19Å; T518-F522 VanDerWaalsContact O-CB 3.32Å; T518-F522 WeakPolarHBondContact O-CB 3.42Å; T518-F522 PolarHBondContact O-N 3.48Å
519L46.8Very low47.3Very low90 Ų90110 Ų11047%0.47155%0.545SS..Hα-helixtrans-69.6-36.4178.6-146.597.4000112.9P515 K516 A517 F522 V523 L570P515-L519 PolarHBondContact O-N 3.3Å; P515-L519 VanDerWaalsContact O-N 3.1Å; K516-L519 PolarHBondContact O-N 3.31Å; A517-L519 VanDerWaalsContact C-N 3.25Å; A517-L519 PolarHBondContact O-N 3.43Å; L519-F522 WeakPolarHBondContact O-CB 3.37Å; L519-F522 PolarHBondContact O-N 3.36Å; L519-V523 WeakPolarHBondContact O-CG2 3.39Å; L519-V523 PolarHBondContact O-N 3.5Å; L519-L570 HydrophobicContact CD1-CD1 3.94Å
520R58.2Low47.5Very low175 Ų175106 Ų10666%0.6654%0.539SS*.Hα-helixtrans-70.5-44.6177.8-82.4-172.2-92.1-155.3-0.3112.1K516 A517 F522 V523 Y524K516-R520 PolarHBondContact O-N 3.14Å; K516-R520 VanDerWaalsContact O-N 3.09Å; A517-R520 PolarHBondContact O-N 3.5Å; A517-R520 VanDerWaalsContact O-N 3.13Å; R520-F522 PolarHBondContact O-N 3.04Å; R520-V523 PolarHBondContact O-N 3.37Å; R520-Y524 PolarHBondContact O-N 2.99Å
521E56.1Low48.1Very low124 Ų124106.7 Ų106.758%0.57953%0.533SS*.Hα-helixtrans-59.4-39.4173.9-161.5177.6-165.100110.4A517 Y524 D525A517-E521 PolarHBondContact O-N 3.13Å; E521-Y524 WeakPolarHBondContact O-CB 3.25Å; E521-Y524 PolarHBondContact O-N 3.47Å; E521-D525 PolarHBondContact O-N 3.42Å
522F47.3Very low48.5Very low51 Ų51109.2 Ų109.222%0.22454%0.535CS..Hα-helixtrans-61.3-49173.2171.8-99.3000113.8T518 L519 R520 Y524 D525 V526 M546T518-F522 VanDerWaalsContact O-CB 3.32Å; T518-F522 WeakPolarHBondContact O-CB 3.42Å; T518-F522 PolarHBondContact O-N 3.48Å; L519-F522 WeakPolarHBondContact O-CB 3.37Å; L519-F522 PolarHBondContact O-N 3.36Å; R520-F522 PolarHBondContact O-N 3.04Å; F522-Y524 PolarHBondContact O-N 3.24Å; F522-D525 PolarHBondContact O-N 3.07Å; F522-V526 HydrophobicContact CD1-CG2 4.47Å; F522-V526 HydrophobicContact CD2-CG2 3.91Å; F522-V526 HydrophobicContact CE1-CG2 4.08Å; F522-V526 HydrophobicContact CE2-CG2 3.46Å; F522-V526 VanDerWaalsContact CE2-CG2 3.46Å; F522-V526 HydrophobicContact CG-CG2 4.4Å; F522-V526 HydrophobicContact CZ-CG2 3.55Å; F522-V526 WeakPolarHBondContact O-CB 3.46Å; F522-V526 VanDerWaalsContact O-CG2 3.31Å; F522-V526 WeakPolarHBondContact O-CG2 3.29Å; F522-V526 PolarHBondContact O-N 2.88Å; F522-M546 HydrophobicContact CD1-CE 4.3Å; F522-M546 HydrophobicContact CD2-CE 4.17Å; F522-M546 HydrophobicContact CE1-CE 3.68Å; F522-M546 HydrophobicContact CE2-CE 3.52Å; F522-M546 HydrophobicContact CE2-SD 4.45Å; F522-M546 HydrophobicContact CZ-CE 3.24Å
523V51.1Low48.7Very low89 Ų89107.4 Ų107.454%0.53953%0.53SS..Hα-helixtrans-60.1-36.2177.9171.20000110.7L519 R520 R527L519-V523 WeakPolarHBondContact O-CG2 3.39Å; L519-V523 PolarHBondContact O-N 3.5Å; R520-V523 PolarHBondContact O-N 3.37Å; V523-R527 WeakPolarHBondContact O-CB 3.4Å; V523-R527 PolarHBondContact O-N 3.23Å
524Y56.6Low49Very low146 Ų146112.4 Ų112.457%0.57355%0.546SS*.Hα-helixtrans-67.3-50.9176.5-170.7-94.2000111.8R520 E521 F522 V526 R527 H528R520-Y524 PolarHBondContact O-N 2.99Å; E521-Y524 WeakPolarHBondContact O-CB 3.25Å; E521-Y524 PolarHBondContact O-N 3.47Å; F522-Y524 PolarHBondContact O-N 3.24Å; Y524-V526 PolarHBondContact O-N 3.01Å; Y524-R527 PolarHBondContact O-N 2.87Å; Y524-H528 AromaticContact CE2-CE1 3.9Å; Y524-H528 PolarHBondContact O-N 2.96Å; Y524-H528 PolarHBondContact O-ND1 2.86Å
525D47.3Very low49.1Very low58 Ų58111 Ų11131%0.3154%0.537SS..Hα-helixtrans-68.1-35.7-176-80.4-10000113.5E521 F522 R527 H528 S529E521-D525 PolarHBondContact O-N 3.42Å; F522-D525 PolarHBondContact O-N 3.07Å; D525-R527 VanDerWaalsContact C-N 3.26Å; D525-R527 PolarHBondContact O-N 2.95Å; D525-H528 PolarHBondContact O-N 2.71Å; D525-S529 VanDerWaalsContact O-CB 3.29Å; D525-S529 WeakPolarHBondContact O-CB 3.46Å; D525-S529 PolarHBondContact O-N 3.37Å; D525-S529 PolarHBondContact O-OG 3.42Å
526V44.5Very low49.9Very low76 Ų76109.2 Ų109.246%0.46152%0.523SS..Hα-helixtrans-63.4-35.6174.7171.20000111.2F522 Y524 H528F522-V526 HydrophobicContact CD1-CG2 4.47Å; F522-V526 HydrophobicContact CD2-CG2 3.91Å; F522-V526 HydrophobicContact CE1-CG2 4.08Å; F522-V526 HydrophobicContact CE2-CG2 3.46Å; F522-V526 VanDerWaalsContact CE2-CG2 3.46Å; F522-V526 HydrophobicContact CG-CG2 4.4Å; F522-V526 HydrophobicContact CZ-CG2 3.55Å; F522-V526 WeakPolarHBondContact O-CB 3.46Å; F522-V526 VanDerWaalsContact O-CG2 3.31Å; F522-V526 WeakPolarHBondContact O-CG2 3.29Å; F522-V526 PolarHBondContact O-N 2.88Å; Y524-V526 PolarHBondContact O-N 3.01Å; V526-H528 VanDerWaalsContact C-N 3.28Å; V526-H528 PolarHBondContact O-N 2.86Å
527R49.1Very low51Low210 Ų210108.1 Ų108.179%0.79252%0.52SS*.Hα-helixtrans-72.7-21.6-179.5-167.2175.4-166.5172.23.6112.6V523 Y524 D525V523-R527 WeakPolarHBondContact O-CB 3.4Å; V523-R527 PolarHBondContact O-N 3.23Å; Y524-R527 PolarHBondContact O-N 2.87Å; D525-R527 VanDerWaalsContact C-N 3.26Å; D525-R527 PolarHBondContact O-N 2.95Å
528H43.4Very low51.5Low113 Ų113107.7 Ų107.752%0.52351%0.514SS..Hα-helixtrans-120.7-6.2-168.9-61.281.6000115.4Y524 D525 V526 G530Y524-H528 AromaticContact CE2-CE1 3.9Å; Y524-H528 PolarHBondContact O-N 2.96Å; Y524-H528 PolarHBondContact O-ND1 2.86Å; D525-H528 PolarHBondContact O-N 2.71Å; V526-H528 VanDerWaalsContact C-N 3.28Å; V526-H528 PolarHBondContact O-N 2.86Å; H528-G530 PolarHBondContact O-N 3.23Å; H528-G530 VanDerWaalsContact O-N 3.08Å
529S41.1Very low52.3Low55 Ų55107.8 Ų107.839%0.38551%0.509SS..  trans-86.274.8-176.250.40000113.9D525D525-S529 VanDerWaalsContact O-CB 3.29Å; D525-S529 WeakPolarHBondContact O-CB 3.46Å; D525-S529 PolarHBondContact O-N 3.37Å; D525-S529 PolarHBondContact O-OG 3.42Å
530G35.6Very low53.9Low64 Ų64109.2 Ų109.266%0.6651%0.511SS*.  trans-9798.1166.700000112.6H528H528-G530 PolarHBondContact O-N 3.23Å; H528-G530 VanDerWaalsContact O-N 3.08Å
531R45Very low55Low214 Ų214105.6 Ų105.681%0.80850%0.502SS*.  trans-170111168.8-106.9175.6-125.4-144.39.3113.7V533 E535R531-V533 PolarHBondContact O-N 3.44Å; R531-V533 VanDerWaalsContact O-N 3.12Å; R531-E535 PolarHBondContact N-OE1 3.43Å; R531-E535 WeakPolarHBondContact O-CG 3.32Å; R531-E535 PolarHBondContact O-N 2.89Å
532R47.2Very low56Low220 Ų220100.7 Ų100.783%0.8348%0.479SS*.THydrogen-bonded Turntrans-7621.8-156.9-77.4-174-177.9-179.22121.9E535R532-E535 WeakPolarHBondContact CA-OE1 3.31Å; R532-E535 WeakPolarHBondContact CG-OE1 3.42Å; R532-E535 PolarHBondContact N-OE1 2.78Å
533V41.3Very low57.6Low126 Ų12699 Ų9976%0.76447%0.472SS*.THydrogen-bonded Turntrans-136.3-33166.9-178.60000111.8R531 E535R531-V533 PolarHBondContact O-N 3.44Å; R531-V533 VanDerWaalsContact O-N 3.12Å; V533-E535 PolarHBondContact O-N 2.82Å
534K47.6Very low59.2Low174 Ų17497.3 Ų97.376%0.75747%0.467SS*.Hα-helixtrans-68.1-17.6166.4-67.9-171.8175.8-171.40112.7C538K534-C538 WeakPolarHBondContact O-CB 3.34Å; K534-C538 PolarHBondContact O-N 3.28Å
535E60.2Low60.4Low48 Ų4896 Ų9622%0.22446%0.464CS..Hα-helixtrans-51.1-59.8178.3-89.9165.7-142.500112.7R531 R532 V533 Q537 C538 W539R531-E535 PolarHBondContact N-OE1 3.43Å; R531-E535 WeakPolarHBondContact O-CG 3.32Å; R531-E535 PolarHBondContact O-N 2.89Å; R532-E535 WeakPolarHBondContact CA-OE1 3.31Å; R532-E535 WeakPolarHBondContact CG-OE1 3.42Å; R532-E535 PolarHBondContact N-OE1 2.78Å; V533-E535 PolarHBondContact O-N 2.82Å; E535-Q537 VanDerWaalsContact C-N 3.31Å; E535-Q537 PolarHBondContact O-N 3.09Å; E535-C538 PolarHBondContact O-N 3.49Å; E535-C538 VanDerWaalsContact O-N 3.15Å; E535-W539 WeakPolarHBondContact O-CB 3.32Å; E535-W539 PolarHBondContact O-N 3.09Å
536L61.8Low61.8Low38 Ų3893.8 Ų93.820%0.19945%0.453CS..Hα-helixtrans-66.5-34-170.3-147.4134.7000113.4K540 L581L536-K540 HydrophobicContact CD2-CD 4.32Å; L536-K540 WeakPolarHBondContact O-CG 3.34Å; L536-K540 PolarHBondContact O-N 2.86Å; L536-L581 HydrophobicContact CG-CD2 4.11Å
537Q73.4Confident63.7Low108 Ų10894 Ų9451%0.50545%0.449SS..Hα-helixtrans-68.4-46.4174.1-177.661.222.100111.3E535 W539 K540 E541E535-Q537 VanDerWaalsContact C-N 3.31Å; E535-Q537 PolarHBondContact O-N 3.09Å; Q537-W539 VanDerWaalsContact C-N 3.26Å; Q537-W539 PolarHBondContact O-N 3.15Å; Q537-K540 WeakPolarHBondContact O-CB 3.47Å; Q537-K540 PolarHBondContact O-N 3.37Å; Q537-E541 WeakPolarHBondContact CG-OE1 3.39Å; Q537-E541 PolarHBondContact NE2-OE1 3.07Å; Q537-E541 WeakPolarHBondContact O-CB 3.45Å; Q537-E541 WeakPolarHBondContact O-CG 3.23Å; Q537-E541 PolarHBondContact O-N 2.74Å
538C72.1Confident65.5Low35 Ų3591.1 Ų91.124%0.23644%0.442CS..Hα-helixtrans-61.1-36.8175.2-179.10000111.6K534 E535 E541 H542K534-C538 WeakPolarHBondContact O-CB 3.34Å; K534-C538 PolarHBondContact O-N 3.28Å; E535-C538 PolarHBondContact O-N 3.49Å; E535-C538 VanDerWaalsContact O-N 3.15Å; C538-E541 PolarHBondContact O-N 3.08Å; C538-H542 WeakPolarHBondContact O-CB 3.42Å; C538-H542 PolarHBondContact O-N 2.95Å; C538-H542 PolarHBondContact O-ND1 3.29Å; C538-H542 PolarHBondContact SG-CE1 3.13Å; C538-H542 PolarHBondContact SG-ND1 2.97Å; C538-H542 VanDerWaalsContact SG-ND1 3.41Å
539W73.1Confident67.3Low49 Ų4987 Ų8719%0.18643%0.427CS..Hα-helixtrans-69.3-42.4176.2-72.547.8000110.6E535 Q537 H542 L543 F577 L581E535-W539 WeakPolarHBondContact O-CB 3.32Å; E535-W539 PolarHBondContact O-N 3.09Å; Q537-W539 VanDerWaalsContact C-N 3.26Å; Q537-W539 PolarHBondContact O-N 3.15Å; W539-H542 PolarHBondContact O-N 3.44Å; W539-L543 PolarHBondContact O-N 2.98Å; W539-F577 HydrophobicContact CB-CE1 3.79Å; W539-F577 HydrophobicContact CB-CZ 3.67Å; W539-F577 HydrophobicContact CD2-CE1 4.17Å; W539-F577 AromaticContact CD2-CE2 3.88Å; W539-F577 HydrophobicContact CD2-CE2 3.88Å; W539-F577 AromaticContact CD2-CZ 3.42Å; W539-F577 HydrophobicContact CD2-CZ 3.42Å; W539-F577 VanDerWaalsContact CD2-CZ 3.42Å; W539-F577 HydrophobicContact CE3-CD1 4.27Å; W539-F577 AromaticContact CE3-CD2 3.91Å; W539-F577 HydrophobicContact CE3-CD2 3.91Å; W539-F577 AromaticContact CE3-CE1 3.56Å; W539-F577 HydrophobicContact CE3-CE1 3.56Å; W539-F577 AromaticContact CE3-CE2 3.13Å; W539-F577 HydrophobicContact CE3-CE2 3.13Å; W539-F577 HydrophobicContact CE3-CG 4.44Å; W539-F577 AromaticContact CE3-CZ 2.95Å; W539-F577 HydrophobicContact CE3-CZ 2.95Å; W539-F577 HydrophobicContact CG-CE1 4.31Å; W539-F577 AromaticContact CG-CZ 3.74Å; W539-F577 HydrophobicContact CG-CZ 3.74Å; W539-F577 AromaticContact CH2-CE2 3.99Å; W539-F577 HydrophobicContact CH2-CE2 3.99Å; W539-F577 AromaticContact CZ3-CD2 3.7Å; W539-F577 HydrophobicContact CZ3-CD2 3.7Å; W539-F577 HydrophobicContact CZ3-CE1 4.34Å; W539-F577 AromaticContact CZ3-CE2 3.16Å; W539-F577 HydrophobicContact CZ3-CE2 3.16Å; W539-F577 AromaticContact CZ3-CZ 3.58Å; W539-F577 HydrophobicContact CZ3-CZ 3.58Å; W539-F577 VanDerWaalsContact O-CE1 3.28Å; W539-F577 WeakPolarHBondContact O-CE1 3.37Å; W539-L581 HydrophobicContact CB-CD2 3.9Å
540K80.1Confident69.1Low121 Ų12185.9 Ų85.953%0.52642%0.417SS..Hα-helixtrans-60.9-43.7172.5-77.6-178.3174.3-171.70112.4L536 Q537 H542 L543 A544L536-K540 HydrophobicContact CD2-CD 4.32Å; L536-K540 WeakPolarHBondContact O-CG 3.34Å; L536-K540 PolarHBondContact O-N 2.86Å; Q537-K540 WeakPolarHBondContact O-CB 3.47Å; Q537-K540 PolarHBondContact O-N 3.37Å; K540-H542 VanDerWaalsContact C-N 3.35Å; K540-L543 PolarHBondContact O-N 3.46Å; K540-A544 WeakPolarHBondContact O-CB 3.47Å; K540-A544 PolarHBondContact O-N 3.09Å
541E81.7Confident71.4Confident98 Ų9886.8 Ų86.846%0.45842%0.418SS..Hα-helixtrans-63-40.7175.9-74166.3-169.900111.6Q537 C538 A544 K545Q537-E541 WeakPolarHBondContact CG-OE1 3.39Å; Q537-E541 PolarHBondContact NE2-OE1 3.07Å; Q537-E541 WeakPolarHBondContact O-CB 3.45Å; Q537-E541 WeakPolarHBondContact O-CG 3.23Å; Q537-E541 PolarHBondContact O-N 2.74Å; C538-E541 PolarHBondContact O-N 3.08Å; E541-A544 PolarHBondContact O-N 3.37Å; E541-K545 WeakPolarHBondContact O-CG 3.48Å; E541-K545 PolarHBondContact O-N 3.22Å
542H77.4Confident73.3Confident21 Ų2182.8 Ų82.810%0.09741%0.407CS..Hα-helixtrans-65-43.9174.6-83.4120000112.8C538 W539 K540 A544 K545 M546 F577C538-H542 WeakPolarHBondContact O-CB 3.42Å; C538-H542 PolarHBondContact O-N 2.95Å; C538-H542 PolarHBondContact O-ND1 3.29Å; C538-H542 PolarHBondContact SG-CE1 3.13Å; C538-H542 PolarHBondContact SG-ND1 2.97Å; C538-H542 VanDerWaalsContact SG-ND1 3.41Å; W539-H542 PolarHBondContact O-N 3.44Å; K540-H542 VanDerWaalsContact C-N 3.35Å; H542-A544 VanDerWaalsContact C-N 3.3Å; H542-A544 PolarHBondContact O-N 3.18Å; H542-K545 WeakPolarHBondContact O-CB 3.4Å; H542-K545 PolarHBondContact O-N 2.91Å; H542-M546 PolarHBondContact O-N 3.14Å; H542-F577 HydrophobicContact CB-CZ 4.46Å
543L80.5Confident74.9Confident17 Ų1775.4 Ų75.49%0.08938%0.381CS..Hα-helixtrans-60.8-43175-173.467.1000110.6W539 K540 K545 M546 E547 A574 F577 L581W539-L543 PolarHBondContact O-N 2.98Å; K540-L543 PolarHBondContact O-N 3.46Å; L543-K545 VanDerWaalsContact C-N 3.34Å; L543-K545 PolarHBondContact O-N 3.11Å; L543-M546 WeakPolarHBondContact O-CB 3.41Å; L543-M546 PolarHBondContact O-N 3.34Å; L543-M546 VanDerWaalsContact O-N 3.16Å; L543-E547 WeakPolarHBondContact O-CG 3.45Å; L543-E547 PolarHBondContact O-N 3.41Å; L543-A574 HydrophobicContact CD1-CB 4.25Å; L543-F577 HydrophobicContact CB-CD1 4.23Å; L543-F577 HydrophobicContact CB-CE1 4.25Å; L543-F577 HydrophobicContact CD1-CD1 4.15Å; L543-L581 HydrophobicContact CD2-CD1 4.09Å
544A84.1Confident76.9Confident52 Ų5276.6 Ų76.643%0.4338%0.376SS..Hα-helixtrans-62.5-38175.600000112.6K540 E541 H542 K548K540-A544 WeakPolarHBondContact O-CB 3.47Å; K540-A544 PolarHBondContact O-N 3.09Å; E541-A544 PolarHBondContact O-N 3.37Å; H542-A544 VanDerWaalsContact C-N 3.3Å; H542-A544 PolarHBondContact O-N 3.18Å; A544-K548 VanDerWaalsContact O-CB 3.26Å; A544-K548 WeakPolarHBondContact O-CB 3.32Å; A544-K548 PolarHBondContact O-N 3.02Å
545K82.5Confident78.4Confident118 Ų11877.6 Ų77.651%0.51338%0.38SS..Hα-helixtrans-63.1-42.7172.6-74.1178.1-177.8-177.50111.6E541 H542 L543 K548 A549E541-K545 WeakPolarHBondContact O-CG 3.48Å; E541-K545 PolarHBondContact O-N 3.22Å; H542-K545 WeakPolarHBondContact O-CB 3.4Å; H542-K545 PolarHBondContact O-N 2.91Å; L543-K545 VanDerWaalsContact C-N 3.34Å; L543-K545 PolarHBondContact O-N 3.11Å; K545-K548 PolarHBondContact O-N 3.34Å; K545-A549 WeakPolarHBondContact O-CB 3.4Å; K545-A549 PolarHBondContact O-N 3.07Å
546M76.2Confident79.2Confident13 Ų1378.5 Ų78.56%0.06439%0.392CS..Hα-helixtrans-62.4-47.7175.9-74.2179.9146.600111.8F522 H542 L543 K548 A549 L550 L570 A573 A574F522-M546 HydrophobicContact CD1-CE 4.3Å; F522-M546 HydrophobicContact CD2-CE 4.17Å; F522-M546 HydrophobicContact CE1-CE 3.68Å; F522-M546 HydrophobicContact CE2-CE 3.52Å; F522-M546 HydrophobicContact CE2-SD 4.45Å; F522-M546 HydrophobicContact CZ-CE 3.24Å; H542-M546 PolarHBondContact O-N 3.14Å; L543-M546 WeakPolarHBondContact O-CB 3.41Å; L543-M546 PolarHBondContact O-N 3.34Å; L543-M546 VanDerWaalsContact O-N 3.16Å; M546-K548 VanDerWaalsContact C-N 3.34Å; M546-K548 PolarHBondContact O-N 3.46Å; M546-A549 PolarHBondContact O-N 2.91Å; M546-L550 WeakPolarHBondContact O-CG 3.25Å; M546-L550 PolarHBondContact O-N 3.37Å; M546-L570 HydrophobicContact CE-CD1 4.15Å; M546-A573 HydrophobicContact CE-CB 4.5Å; M546-A574 HydrophobicContact SD-CB 4.29Å
547E84.1Confident79.7Confident81 Ų8179.7 Ų79.738%0.37940%0.398SS..Hα-helixtrans-63.3-40.4178.3-71.5179.2155.700111.3L543 L550 A551 R578L543-E547 WeakPolarHBondContact O-CG 3.45Å; L543-E547 PolarHBondContact O-N 3.41Å; E547-L550 PolarHBondContact O-N 3.1Å; E547-A551 WeakPolarHBondContact O-CB 3.45Å; E547-A551 PolarHBondContact O-N 3.43Å; E547-R578 IonicContact OE1-CZ 3.07Å; E547-R578 IonicContact OE1-NH1 3.06Å; E547-R578 IonicContact OE1-NH2 3.67Å; E547-R578 PolarHBondContact OE1-NH2 2.95Å
548K87.4Confident79.7Confident148 Ų14876.9 Ų76.964%0.64339%0.386SS*.Hα-helixtrans-65-39.2174.3-171.5175.8-176.5177.30112.4A544 K545 M546 A551 K552A544-K548 VanDerWaalsContact O-CB 3.26Å; A544-K548 WeakPolarHBondContact O-CB 3.32Å; A544-K548 PolarHBondContact O-N 3.02Å; K545-K548 PolarHBondContact O-N 3.34Å; M546-K548 VanDerWaalsContact C-N 3.34Å; M546-K548 PolarHBondContact O-N 3.46Å; K548-A551 PolarHBondContact O-N 3.1Å; K548-K552 PolarHBondContact O-N 3.07Å
549A79.9Confident79.9Confident27 Ų2785.5 Ų85.522%0.22341%0.414CS..Hα-helixtrans-65.4-42.5174.800000111.3K545 M546 A551 K552 F553K545-A549 WeakPolarHBondContact O-CB 3.4Å; K545-A549 PolarHBondContact O-N 3.07Å; M546-A549 PolarHBondContact O-N 2.91Å; A549-A551 VanDerWaalsContact C-N 3.31Å; A549-A551 PolarHBondContact O-N 3.42Å; A549-K552 PolarHBondContact O-N 2.95Å; A549-F553 VanDerWaalsContact O-CD2 3.31Å; A549-F553 WeakPolarHBondContact O-CD2 3.47Å; A549-F553 WeakPolarHBondContact O-CE2 3.19Å
550L80Confident80.2Confident31 Ų3185.5 Ų85.516%0.16242%0.421CS..Hα-helixtrans-61.5-37.2174.7-76.8168.5000112.3M546 E547 K552 F553 I567 L570 R571M546-L550 WeakPolarHBondContact O-CG 3.25Å; M546-L550 PolarHBondContact O-N 3.37Å; E547-L550 PolarHBondContact O-N 3.1Å; L550-K552 VanDerWaalsContact C-N 3.29Å; L550-K552 PolarHBondContact O-N 3.27Å; L550-F553 PolarHBondContact O-N 2.97Å; L550-I567 HydrophobicContact CD2-CG2 4.08Å; L550-L570 HydrophobicContact CD2-CB 4.27Å; L550-L570 HydrophobicContact CD2-CD2 3.81Å; L550-L570 HydrophobicContact CD2-CG 4.14Å; L550-L570 HydrophobicContact CG-CD2 3.9Å; L550-L570 HydrophobicContact CG-CG 4.26Å; L550-R571 HydrophobicContact CD1-CG 3.99Å; L550-R571 HydrophobicContact CD2-CG 3.82Å
551A84.4Confident79.8Confident83 Ų8384.3 Ų84.369%0.68643%0.426SS*.Hα-helixtrans-70-20.4178.700000114.3E547 K548 A549 F553E547-A551 WeakPolarHBondContact O-CB 3.45Å; E547-A551 PolarHBondContact O-N 3.43Å; K548-A551 PolarHBondContact O-N 3.1Å; A549-A551 VanDerWaalsContact C-N 3.31Å; A549-A551 PolarHBondContact O-N 3.42Å; A551-F553 VanDerWaalsContact C-N 3.33Å
552K84.6Confident79.3Confident131 Ų13183.4 Ų83.457%0.5743%0.427SS*.THydrogen-bonded Turntrans-75.3-20.2178.1-74.4-177.9177.8-173.40113.5K548 A549 L550 K554K548-K552 PolarHBondContact O-N 3.07Å; A549-K552 PolarHBondContact O-N 2.95Å; L550-K552 VanDerWaalsContact C-N 3.29Å; L550-K552 PolarHBondContact O-N 3.27Å; K552-K554 PolarHBondContact O-N 3.44Å
553F80.1Confident78.8Confident65 Ų6584.7 Ų84.729%0.28544%0.436SS..  trans-73.2120.4179.5-68.8-76.5000110.5A549 L550 A551 D557 I567A549-F553 VanDerWaalsContact O-CD2 3.31Å; A549-F553 WeakPolarHBondContact O-CD2 3.47Å; A549-F553 WeakPolarHBondContact O-CE2 3.19Å; L550-F553 PolarHBondContact O-N 2.97Å; A551-F553 VanDerWaalsContact C-N 3.33Å; F553-D557 WeakPolarHBondContact CA-OD2 3.43Å; F553-D557 HydrophobicContact CD1-CB 4.23Å; F553-I567 HydrophobicContact CB-CD1 4.02Å; F553-I567 HydrophobicContact CD1-CD1 3.68Å; F553-I567 HydrophobicContact CD1-CG1 4.2Å; F553-I567 HydrophobicContact CD2-CD1 4.13Å; F553-I567 HydrophobicContact CD2-CG1 4.06Å; F553-I567 HydrophobicContact CE1-CD1 4.12Å; F553-I567 HydrophobicContact CE1-CG1 4.22Å; F553-I567 HydrophobicContact CE2-CG1 4.1Å; F553-I567 HydrophobicContact CG-CD1 3.67Å; F553-I567 HydrophobicContact CG-CG1 4.11Å; F553-I567 HydrophobicContact CZ-CG1 4.17Å
554K83.9Confident78.4Confident151 Ų15189.3 Ų89.366%0.65745%0.452SS*.  trans-76.1155.1174.4-68.5179.9-178.7178.10109.4K552 S556 D557K552-K554 PolarHBondContact O-N 3.44Å; K554-S556 VanDerWaalsContact CB-OG 3.32Å; K554-S556 WeakPolarHBondContact CB-OG 3.26Å; K554-S556 PolarHBondContact O-N 3.4Å; K554-D557 PolarHBondContact N-OD2 3.38Å; K554-D557 WeakPolarHBondContact O-CB 3.34Å; K554-D557 PolarHBondContact O-N 3.41Å
555K78.5Confident78.1Confident195 Ų19593.2 Ų93.285%0.84846%0.462SS*.THydrogen-bonded Turntrans-53.6-26.9172.5-79.6-175.9177.7178.50112.8D557K555-D557 VanDerWaalsContact C-N 3.33Å
556S78Confident77.6Confident67 Ų6793.8 Ų93.847%0.46946%0.464SS..THydrogen-bonded Turntrans-63-35.1173.951.10000113.5K554 L558 R559K554-S556 VanDerWaalsContact CB-OG 3.32Å; K554-S556 WeakPolarHBondContact CB-OG 3.26Å; K554-S556 PolarHBondContact O-N 3.4Å; S556-L558 PolarHBondContact O-N 2.94Å; S556-R559 WeakPolarHBondContact O-CB 3.39Å; S556-R559 WeakPolarHBondContact O-CG 3.48Å; S556-R559 PolarHBondContact O-N 3.13Å
557D72.9Confident77.6Confident62 Ų6293.3 Ų93.333%0.33246%0.462SS..G310 helixtrans-69.9-23.9-175.1-55-26.1000111.4F553 K554 K555 R559 V563F553-D557 WeakPolarHBondContact CA-OD2 3.43Å; F553-D557 HydrophobicContact CD1-CB 4.23Å; K554-D557 PolarHBondContact N-OD2 3.38Å; K554-D557 WeakPolarHBondContact O-CB 3.34Å; K554-D557 PolarHBondContact O-N 3.41Å; K555-D557 VanDerWaalsContact C-N 3.33Å; D557-R559 PolarHBondContact O-N 3Å; D557-V563 HydrophobicContact CB-CG1 4.33Å; D557-V563 WeakPolarHBondContact O-CG1 3.46Å
558L72.6Confident77.5Confident49 Ų4994.5 Ų94.526%0.25747%0.468SS..G310 helixtrans-72.7-4176.6-64.3170000113.8S556 S560 R564 I567S556-L558 PolarHBondContact O-N 2.94Å; L558-S560 VanDerWaalsContact C-N 3.33Å; L558-R564 HydrophobicContact CD2-CG 4.49Å; L558-R564 PolarHBondContact O-NE 3.46Å; L558-R564 VanDerWaalsContact O-NE 3.14Å; L558-R564 PolarHBondContact O-NH2 2.91Å; L558-I567 HydrophobicContact CD2-CD1 3.68Å; L558-I567 HydrophobicContact CD2-CG2 4.4Å
559R76.5Confident77Confident216 Ų21690.4 Ų90.482%0.81546%0.461SS*.G310 helixtrans-70.2-29.6175.4-71.8-174177.2-170.7-0.1112.5S556 D557S556-R559 WeakPolarHBondContact O-CB 3.39Å; S556-R559 WeakPolarHBondContact O-CG 3.48Å; S556-R559 PolarHBondContact O-N 3.13Å; D557-R559 PolarHBondContact O-N 3Å
560S78.2Confident76.8Confident49 Ų4990.4 Ų90.434%0.34346%0.457SS..SBendtrans-81.6123.8176.2173.30000110.4L558 V562 V563 R564L558-S560 VanDerWaalsContact C-N 3.33Å; S560-V562 VanDerWaalsContact C-N 3.28Å; S560-V562 PolarHBondContact O-N 2.69Å; S560-V563 PolarHBondContact O-N 3.15Å; S560-R564 WeakPolarHBondContact O-CB 3.5Å; S560-R564 PolarHBondContact O-N 3.02Å
561P73Confident76.9Confident96 Ų9694.5 Ų94.562%0.62347%0.471SS*.Hα-helixtrans-61.6-36.4178.820.9-29.2000112.1V563 R564 E565P561-V563 PolarHBondContact O-N 3.16Å; P561-R564 WeakPolarHBondContact O-CB 3.32Å; P561-R564 PolarHBondContact O-N 3.12Å; P561-E565 PolarHBondContact O-N 3.15Å
562V70.7Confident76.8Confident80 Ų8093.4 Ų93.449%0.48546%0.462SS..Hα-helixtrans-66.4-38.2177.1-179.50000111.7S560 K566S560-V562 VanDerWaalsContact C-N 3.28Å; S560-V562 PolarHBondContact O-N 2.69Å; V562-K566 WeakPolarHBondContact O-CG 3.49Å; V562-K566 PolarHBondContact O-N 3.05Å
563V66.7Low76.3Confident48 Ų4889.1 Ų89.129%0.29145%0.451SS..Hα-helixtrans-70.6-39.7176177.30000110.2D557 S560 P561 K566 I567D557-V563 HydrophobicContact CB-CG1 4.33Å; D557-V563 WeakPolarHBondContact O-CG1 3.46Å; S560-V563 PolarHBondContact O-N 3.15Å; P561-V563 PolarHBondContact O-N 3.16Å; V563-K566 PolarHBondContact O-N 3.42Å; V563-I567 HydrophobicContact CG1-CD1 3.72Å; V563-I567 HydrophobicContact CG1-CG1 4.37Å; V563-I567 VanDerWaalsContact O-CG1 3.3Å; V563-I567 WeakPolarHBondContact O-CG1 3.31Å; V563-I567 PolarHBondContact O-N 3.47Å
564R73.1Confident76.3Confident113 Ų11386.3 Ų86.343%0.42644%0.439SS..Hα-helixtrans-59.8-49.3176.6-170.2-177-60.1169.61.5112L558 S560 P561 K566 I567 E568L558-R564 HydrophobicContact CD2-CG 4.49Å; L558-R564 PolarHBondContact O-NE 3.46Å; L558-R564 VanDerWaalsContact O-NE 3.14Å; L558-R564 PolarHBondContact O-NH2 2.91Å; S560-R564 WeakPolarHBondContact O-CB 3.5Å; S560-R564 PolarHBondContact O-N 3.02Å; P561-R564 WeakPolarHBondContact O-CB 3.32Å; P561-R564 PolarHBondContact O-N 3.12Å; R564-K566 VanDerWaalsContact C-N 3.31Å; R564-K566 PolarHBondContact O-N 3.28Å; R564-I567 PolarHBondContact O-N 3.04Å; R564-I567 VanDerWaalsContact O-N 3.17Å; R564-E568 WeakPolarHBondContact CG-OE1 3.34Å; R564-E568 WeakPolarHBondContact O-CG 3.22Å; R564-E568 PolarHBondContact O-N 2.92Å
565E77.4Confident76.2Confident135 Ų13583.5 Ų83.563%0.63143%0.431SS*.Hα-helixtrans-57.6-43.1177.6-173.1-171.9170.300111.7P561 E568 A569P561-E565 PolarHBondContact O-N 3.15Å; E565-E568 PolarHBondContact O-N 3.47Å; E565-A569 WeakPolarHBondContact O-CB 3.25Å; E565-A569 PolarHBondContact O-N 2.89Å
566K72.6Confident76.1Confident130 Ų13080.7 Ų80.757%0.56542%0.419SS*.Hα-helixtrans-67.3-38.2177.7-72.1178.2-178.7178.50113V562 V563 R564 L570V562-K566 WeakPolarHBondContact O-CG 3.49Å; V562-K566 PolarHBondContact O-N 3.05Å; V563-K566 PolarHBondContact O-N 3.42Å; R564-K566 VanDerWaalsContact C-N 3.31Å; R564-K566 PolarHBondContact O-N 3.28Å; K566-L570 WeakPolarHBondContact O-CB 3.47Å; K566-L570 PolarHBondContact O-N 3.29Å
567I74.9Confident76Confident3 Ų378.5 Ų78.52%0.01540%0.401CS..Hα-helixtrans-65.7-41.1174.8-70.9167.9000110.3L550 F553 L558 V563 R564 L570 R571L550-I567 HydrophobicContact CD2-CG2 4.08Å; F553-I567 HydrophobicContact CB-CD1 4.02Å; F553-I567 HydrophobicContact CD1-CD1 3.68Å; F553-I567 HydrophobicContact CD1-CG1 4.2Å; F553-I567 HydrophobicContact CD2-CD1 4.13Å; F553-I567 HydrophobicContact CD2-CG1 4.06Å; F553-I567 HydrophobicContact CE1-CD1 4.12Å; F553-I567 HydrophobicContact CE1-CG1 4.22Å; F553-I567 HydrophobicContact CE2-CG1 4.1Å; F553-I567 HydrophobicContact CG-CD1 3.67Å; F553-I567 HydrophobicContact CG-CG1 4.11Å; F553-I567 HydrophobicContact CZ-CG1 4.17Å; L558-I567 HydrophobicContact CD2-CD1 3.68Å; L558-I567 HydrophobicContact CD2-CG2 4.4Å; V563-I567 HydrophobicContact CG1-CD1 3.72Å; V563-I567 HydrophobicContact CG1-CG1 4.37Å; V563-I567 VanDerWaalsContact O-CG1 3.3Å; V563-I567 WeakPolarHBondContact O-CG1 3.31Å; V563-I567 PolarHBondContact O-N 3.47Å; R564-I567 PolarHBondContact O-N 3.04Å; R564-I567 VanDerWaalsContact O-N 3.17Å; I567-L570 PolarHBondContact O-N 3.34Å; I567-R571 WeakPolarHBondContact O-CG 3.42Å; I567-R571 PolarHBondContact O-N 3.2Å
568E81.8Confident76.3Confident106 Ų10680.9 Ų80.950%0.49541%0.406SS..Hα-helixtrans-64.5-42.8176.3-74.5171.6-172.900111.9R564 E565 L570 R571 A572R564-E568 WeakPolarHBondContact CG-OE1 3.34Å; R564-E568 WeakPolarHBondContact O-CG 3.22Å; R564-E568 PolarHBondContact O-N 2.92Å; E565-E568 PolarHBondContact O-N 3.47Å; E568-L570 VanDerWaalsContact C-N 3.33Å; E568-L570 PolarHBondContact O-N 2.96Å; E568-R571 PolarHBondContact O-N 2.6Å; E568-A572 WeakPolarHBondContact O-CB 3.48Å; E568-A572 PolarHBondContact O-N 2.98Å
569A76.9Confident76.6Confident62 Ų6283.4 Ų83.451%0.51242%0.419SS..Hα-helixtrans-60.8-40.8173.600000112.3E565 A572 A573E565-A569 WeakPolarHBondContact O-CB 3.25Å; E565-A569 PolarHBondContact O-N 2.89Å; A569-A572 PolarHBondContact O-N 2.85Å; A569-A573 WeakPolarHBondContact O-CB 3.36Å; A569-A573 PolarHBondContact O-N 2.72Å
570L76Confident76.5Confident26 Ų2679.4 Ų79.414%0.13640%0.404CS..Hα-helixtrans-67.3-39176.9-171.865.1000112L519 M546 L550 K566 I567 E568 A573 A574L519-L570 HydrophobicContact CD1-CD1 3.94Å; M546-L570 HydrophobicContact CE-CD1 4.15Å; L550-L570 HydrophobicContact CD2-CB 4.27Å; L550-L570 HydrophobicContact CD2-CD2 3.81Å; L550-L570 HydrophobicContact CD2-CG 4.14Å; L550-L570 HydrophobicContact CG-CD2 3.9Å; L550-L570 HydrophobicContact CG-CG 4.26Å; K566-L570 WeakPolarHBondContact O-CB 3.47Å; K566-L570 PolarHBondContact O-N 3.29Å; I567-L570 PolarHBondContact O-N 3.34Å; E568-L570 VanDerWaalsContact C-N 3.33Å; E568-L570 PolarHBondContact O-N 2.96Å; L570-A573 PolarHBondContact O-N 3.34Å; L570-A574 WeakPolarHBondContact O-CB 3.5Å; L570-A574 PolarHBondContact O-N 3.34Å
571R83Confident76.4Confident118 Ų11878 Ų7845%0.44539%0.392SS..Hα-helixtrans-62.9-48.8173.1-75.6179.8-178146.21.1111.7L550 I567 E568 A573 A574 D575L550-R571 HydrophobicContact CD1-CG 3.99Å; L550-R571 HydrophobicContact CD2-CG 3.82Å; I567-R571 WeakPolarHBondContact O-CG 3.42Å; I567-R571 PolarHBondContact O-N 3.2Å; E568-R571 PolarHBondContact O-N 2.6Å; R571-A573 VanDerWaalsContact C-N 3.25Å; R571-A573 PolarHBondContact O-N 2.89Å; R571-A574 WeakPolarHBondContact O-CB 3.46Å; R571-A574 PolarHBondContact O-N 3.05Å; R571-A574 VanDerWaalsContact O-N 3.08Å; R571-D575 PolarHBondContact O-N 3.46Å
572A81.2Confident76.6Confident60 Ų6077.8 Ų77.850%0.49639%0.386SS..Hα-helixtrans-59.3-37.9177.500000112.1E568 A569 K576E568-A572 WeakPolarHBondContact O-CB 3.48Å; E568-A572 PolarHBondContact O-N 2.98Å; A569-A572 PolarHBondContact O-N 2.85Å; A572-K576 WeakPolarHBondContact O-CB 3.43Å; A572-K576 PolarHBondContact O-N 3.09Å
573A75.3Confident76.7Confident41 Ų4181 Ų8134%0.33939%0.393SS..Hα-helixtrans-64.9-45.5173.700000112.1M546 A569 L570 R571 K576 F577M546-A573 HydrophobicContact CE-CB 4.5Å; A569-A573 WeakPolarHBondContact O-CB 3.36Å; A569-A573 PolarHBondContact O-N 2.72Å; L570-A573 PolarHBondContact O-N 3.34Å; R571-A573 VanDerWaalsContact C-N 3.25Å; R571-A573 PolarHBondContact O-N 2.89Å; A573-K576 PolarHBondContact O-N 2.78Å; A573-F577 WeakPolarHBondContact O-CB 3.43Å; A573-F577 PolarHBondContact O-N 2.84Å
574A79Confident76.7Confident6 Ų683.4 Ų83.45%0.0540%0.4CS..Hα-helixtrans-62.3-41.9177.100000112.1L543 M546 L570 R571 F577 R578L543-A574 HydrophobicContact CD1-CB 4.25Å; M546-A574 HydrophobicContact SD-CB 4.29Å; L570-A574 WeakPolarHBondContact O-CB 3.5Å; L570-A574 PolarHBondContact O-N 3.34Å; R571-A574 WeakPolarHBondContact O-CB 3.46Å; R571-A574 PolarHBondContact O-N 3.05Å; R571-A574 VanDerWaalsContact O-N 3.08Å; A574-F577 WeakPolarHBondContact O-CB 3.49Å; A574-F577 PolarHBondContact O-N 2.92Å; A574-R578 PolarHBondContact O-N 2.91Å
575D82.6Confident76.4Confident91 Ų9180.1 Ų80.149%0.48740%0.397SS..Hα-helixtrans-66.6-44.7177.7-70.3-28.3000111.9R571 F577 R578 L579R571-D575 PolarHBondContact O-N 3.46Å; D575-F577 PolarHBondContact O-N 2.98Å; D575-R578 PolarHBondContact O-N 3.38Å; D575-L579 WeakPolarHBondContact O-CB 3.33Å; D575-L579 PolarHBondContact O-N 2.79Å
576K76.1Confident75.4Confident137 Ų13778.6 Ų78.660%0.59640%0.397SS*.Hα-helixtrans-59.8-34.1173.7-169.7173.9-174.81740111.4A572 A573 R580A572-K576 WeakPolarHBondContact O-CB 3.43Å; A572-K576 PolarHBondContact O-N 3.09Å; A573-K576 PolarHBondContact O-N 2.78Å; K576-R580 WeakPolarHBondContact O-CG 3.41Å; K576-R580 PolarHBondContact O-N 3.26Å
577F74.8Confident74.6Confident20 Ų2074.8 Ų74.89%0.08839%0.389CS..Hα-helixtrans-71.9-44.2176.7-162.6-89.9000112.2W539 H542 L543 A573 A574 D575 L579 R580 L581W539-F577 HydrophobicContact CB-CE1 3.79Å; W539-F577 HydrophobicContact CB-CZ 3.67Å; W539-F577 HydrophobicContact CD2-CE1 4.17Å; W539-F577 AromaticContact CD2-CE2 3.88Å; W539-F577 HydrophobicContact CD2-CE2 3.88Å; W539-F577 AromaticContact CD2-CZ 3.42Å; W539-F577 HydrophobicContact CD2-CZ 3.42Å; W539-F577 VanDerWaalsContact CD2-CZ 3.42Å; W539-F577 HydrophobicContact CE3-CD1 4.27Å; W539-F577 AromaticContact CE3-CD2 3.91Å; W539-F577 HydrophobicContact CE3-CD2 3.91Å; W539-F577 AromaticContact CE3-CE1 3.56Å; W539-F577 HydrophobicContact CE3-CE1 3.56Å; W539-F577 AromaticContact CE3-CE2 3.13Å; W539-F577 HydrophobicContact CE3-CE2 3.13Å; W539-F577 HydrophobicContact CE3-CG 4.44Å; W539-F577 AromaticContact CE3-CZ 2.95Å; W539-F577 HydrophobicContact CE3-CZ 2.95Å; W539-F577 HydrophobicContact CG-CE1 4.31Å; W539-F577 AromaticContact CG-CZ 3.74Å; W539-F577 HydrophobicContact CG-CZ 3.74Å; W539-F577 AromaticContact CH2-CE2 3.99Å; W539-F577 HydrophobicContact CH2-CE2 3.99Å; W539-F577 AromaticContact CZ3-CD2 3.7Å; W539-F577 HydrophobicContact CZ3-CD2 3.7Å; W539-F577 HydrophobicContact CZ3-CE1 4.34Å; W539-F577 AromaticContact CZ3-CE2 3.16Å; W539-F577 HydrophobicContact CZ3-CE2 3.16Å; W539-F577 AromaticContact CZ3-CZ 3.58Å; W539-F577 HydrophobicContact CZ3-CZ 3.58Å; W539-F577 VanDerWaalsContact O-CE1 3.28Å; W539-F577 WeakPolarHBondContact O-CE1 3.37Å; H542-F577 HydrophobicContact CB-CZ 4.46Å; L543-F577 HydrophobicContact CB-CD1 4.23Å; L543-F577 HydrophobicContact CB-CE1 4.25Å; L543-F577 HydrophobicContact CD1-CD1 4.15Å; A573-F577 WeakPolarHBondContact O-CB 3.43Å; A573-F577 PolarHBondContact O-N 2.84Å; A574-F577 WeakPolarHBondContact O-CB 3.49Å; A574-F577 PolarHBondContact O-N 2.92Å; D575-F577 PolarHBondContact O-N 2.98Å; F577-L579 VanDerWaalsContact C-N 3.33Å; F577-L579 PolarHBondContact O-N 3.27Å; F577-R580 WeakPolarHBondContact O-CB 3.41Å; F577-R580 PolarHBondContact O-N 3.21Å; F577-L581 HydrophobicContact CD1-CD1 3.82Å; F577-L581 HydrophobicContact CD1-CG 4.32Å; F577-L581 HydrophobicContact CE1-CD1 3.75Å; F577-L581 HydrophobicContact CE1-CG 4.24Å; F577-L581 PolarHBondContact O-N 3.2Å
578R80.4Confident73.3Confident113 Ų11380.9 Ų80.943%0.42641%0.412SS..Hα-helixtrans-56.7-47.2172.6-173.8179.1-110.81327.5110.8E547 A574 D575 R580 L581 D582E547-R578 IonicContact OE1-CZ 3.07Å; E547-R578 IonicContact OE1-NH1 3.06Å; E547-R578 IonicContact OE1-NH2 3.67Å; E547-R578 PolarHBondContact OE1-NH2 2.95Å; A574-R578 PolarHBondContact O-N 2.91Å; D575-R578 PolarHBondContact O-N 3.38Å; R578-R580 VanDerWaalsContact C-N 3.28Å; R578-R580 PolarHBondContact O-N 2.84Å; R578-L581 CarbonylContact O-C 3.6Å; R578-L581 WeakPolarHBondContact O-CA 3.45Å; R578-L581 WeakPolarHBondContact O-CB 3.34Å; R578-L581 PolarHBondContact O-N 2.85Å; R578-D582 PolarHBondContact O-N 3.35Å
579L78.2Confident71.7Confident102 Ų10280.9 Ų80.953%0.53442%0.416SS..Hα-helixtrans-63.4-32.4179.5-152.5132.8000112.9D575 F577 K583D575-L579 WeakPolarHBondContact O-CB 3.33Å; D575-L579 PolarHBondContact O-N 2.79Å; F577-L579 VanDerWaalsContact C-N 3.33Å; F577-L579 PolarHBondContact O-N 3.27Å; L579-K583 HydrophobicContact CD2-CD 4.15Å; L579-K583 WeakPolarHBondContact O-CB 3.5Å; L579-K583 VanDerWaalsContact O-CG 3.29Å; L579-K583 WeakPolarHBondContact O-CG 3Å; L579-K583 PolarHBondContact O-N 3.23Å
580R75.2Confident70.3Confident131 Ų13181.6 Ų81.649%0.49442%0.417SS..Hα-helixtrans-71.6-40.1171.5-77.6177.2175174.7-2.5112.3K576 F577 R578 K584K576-R580 WeakPolarHBondContact O-CG 3.41Å; K576-R580 PolarHBondContact O-N 3.26Å; F577-R580 WeakPolarHBondContact O-CB 3.41Å; F577-R580 PolarHBondContact O-N 3.21Å; R578-R580 VanDerWaalsContact C-N 3.28Å; R578-R580 PolarHBondContact O-N 2.84Å; R580-K584 WeakPolarHBondContact O-CB 3.47Å; R580-K584 WeakPolarHBondContact O-CG 3.45Å; R580-K584 PolarHBondContact O-N 2.94Å
581L75.5Confident68.6Low20 Ų2086.3 Ų86.311%0.10544%0.438CS..Hα-helixtrans-62.5-44.4175-85.2171.6000110.9L536 W539 L543 F577 R578 K584 A585L536-L581 HydrophobicContact CG-CD2 4.11Å; W539-L581 HydrophobicContact CB-CD2 3.9Å; L543-L581 HydrophobicContact CD2-CD1 4.09Å; F577-L581 HydrophobicContact CD1-CD1 3.82Å; F577-L581 HydrophobicContact CD1-CG 4.32Å; F577-L581 HydrophobicContact CE1-CD1 3.75Å; F577-L581 HydrophobicContact CE1-CG 4.24Å; F577-L581 PolarHBondContact O-N 3.2Å; R578-L581 CarbonylContact O-C 3.6Å; R578-L581 WeakPolarHBondContact O-CA 3.45Å; R578-L581 WeakPolarHBondContact O-CB 3.34Å; R578-L581 PolarHBondContact O-N 2.85Å; L581-K584 CarbonylContact O-C 3.58Å; L581-K584 PolarHBondContact O-N 3.35Å; L581-A585 WeakPolarHBondContact O-CB 3.5Å; L581-A585 PolarHBondContact O-N 3.38Å
582D76.6Confident67.1Low92 Ų9282.7 Ų82.749%0.49243%0.431SS..Hα-helixtrans-65.6-45.7178.3-66.7-23.2000111.2R578 K584 A585 V586R578-D582 PolarHBondContact O-N 3.35Å; D582-K584 VanDerWaalsContact C-N 3.28Å; D582-K584 PolarHBondContact O-N 2.87Å; D582-A585 PolarHBondContact O-N 3.29Å; D582-A585 VanDerWaalsContact O-N 3.11Å; D582-V586 WeakPolarHBondContact O-CB 3.46Å; D582-V586 VanDerWaalsContact O-CG2 3.29Å; D582-V586 WeakPolarHBondContact O-CG2 3.29Å; D582-V586 PolarHBondContact O-N 2.96Å
583K73.1Confident65.9Low147 Ų14784 Ų8464%0.63943%0.429SS*.Hα-helixtrans-56.8-40.8173.3-78.4179.4177.2-177.50112.4L579 A587L579-K583 HydrophobicContact CD2-CD 4.15Å; L579-K583 WeakPolarHBondContact O-CB 3.5Å; L579-K583 VanDerWaalsContact O-CG 3.29Å; L579-K583 WeakPolarHBondContact O-CG 3Å; L579-K583 PolarHBondContact O-N 3.23Å; K583-A587 WeakPolarHBondContact O-CB 3.33Å; K583-A587 PolarHBondContact O-N 3.19Å
584K67.8Low64.7Low99 Ų9991.3 Ų91.343%0.4345%0.447SS..Hα-helixtrans-72.3-33.9176-78-173.3175.1-176.20112.8R580 L581 D582 R588R580-K584 WeakPolarHBondContact O-CB 3.47Å; R580-K584 WeakPolarHBondContact O-CG 3.45Å; R580-K584 PolarHBondContact O-N 2.94Å; L581-K584 CarbonylContact O-C 3.58Å; L581-K584 PolarHBondContact O-N 3.35Å; D582-K584 VanDerWaalsContact C-N 3.28Å; D582-K584 PolarHBondContact O-N 2.87Å; K584-R588 PolarHBondContact O-N 2.97Å
585A67Low63.2Low44 Ų4497 Ų9736%0.36447%0.469SS..Hα-helixtrans-68.7-42.7175.800000111.3L581 D582 R588 D589L581-A585 WeakPolarHBondContact O-CB 3.5Å; L581-A585 PolarHBondContact O-N 3.38Å; D582-A585 PolarHBondContact O-N 3.29Å; D582-A585 VanDerWaalsContact O-N 3.11Å; A585-R588 CarbonylContact O-C 3.29Å; A585-R588 WeakPolarHBondContact O-CA 3.5Å; A585-R588 VanDerWaalsContact O-CB 3.27Å; A585-R588 WeakPolarHBondContact O-CB 3.34Å; A585-R588 PolarHBondContact O-N 2.95Å; A585-D589 PolarHBondContact O-N 2.93Å
586V56.3Low62.1Low102 Ų10299.1 Ų99.162%0.61847%0.473SS*.Hα-helixtrans-63.4-40.9173.81740000111.3D582 R588 D589 S590D582-V586 WeakPolarHBondContact O-CB 3.46Å; D582-V586 VanDerWaalsContact O-CG2 3.29Å; D582-V586 WeakPolarHBondContact O-CG2 3.29Å; D582-V586 PolarHBondContact O-N 2.96Å; V586-R588 PolarHBondContact O-N 3.39Å; V586-D589 PolarHBondContact O-N 3.47Å; V586-D589 VanDerWaalsContact O-N 3.08Å; V586-S590 PolarHBondContact O-N 2.94Å
587A54.7Low61.4Low50 Ų50101.5 Ų101.541%0.41348%0.479SS..Hα-helixtrans-59.6-37.5172.300000111.6K583 S590 E591K583-A587 WeakPolarHBondContact O-CB 3.33Å; K583-A587 PolarHBondContact O-N 3.19Å; A587-S590 PolarHBondContact O-N 3.32Å; A587-S590 PolarHBondContact O-OG 3.32Å; A587-E591 PolarHBondContact O-N 3.41Å; A587-E591 VanDerWaalsContact O-N 3.16Å
588R48.4Very low60.5Low131 Ų131105.4 Ų105.449%0.49450%0.498SS..Hα-helixtrans-68.2-27.8173-90.2-169.5-179.9-173.31.6114K584 A585 V586 S590 E591 S592K584-R588 PolarHBondContact O-N 2.97Å; A585-R588 CarbonylContact O-C 3.29Å; A585-R588 WeakPolarHBondContact O-CA 3.5Å; A585-R588 VanDerWaalsContact O-CB 3.27Å; A585-R588 WeakPolarHBondContact O-CB 3.34Å; A585-R588 PolarHBondContact O-N 2.95Å; V586-R588 PolarHBondContact O-N 3.39Å; R588-S590 VanDerWaalsContact C-N 3.32Å; R588-E591 CarbonylContact O-C 3.51Å; R588-E591 PolarHBondContact O-N 2.93Å; R588-S592 WeakPolarHBondContact O-CA 3.35Å; R588-S592 WeakPolarHBondContact O-CB 3.42Å; R588-S592 PolarHBondContact O-N 3.32Å
589D47.1Very low59.6Low107 Ų107104.4 Ų104.457%0.57250%0.499SS*.Hα-helixtrans-67.5-37.7173.8-85.1-21.5000111.2A585 V586 E591 S592 I593A585-D589 PolarHBondContact O-N 2.93Å; V586-D589 PolarHBondContact O-N 3.47Å; V586-D589 VanDerWaalsContact O-N 3.08Å; D589-E591 PolarHBondContact O-N 2.94Å; D589-S592 PolarHBondContact O-N 3.03Å; D589-I593 WeakPolarHBondContact O-CB 3.41Å; D589-I593 WeakPolarHBondContact O-CD1 3.09Å; D589-I593 WeakPolarHBondContact O-CG1 3.49Å; D589-I593 PolarHBondContact O-N 2.88Å
590S48.1Very low59.1Low76 Ų76101.8 Ų101.853%0.53149%0.492SS..Hα-helixtrans-64.8-41.1173.380.90000112.3V586 A587 R588 R594V586-S590 PolarHBondContact O-N 2.94Å; A587-S590 PolarHBondContact O-N 3.32Å; A587-S590 PolarHBondContact O-OG 3.32Å; R588-S590 VanDerWaalsContact C-N 3.32Å; S590-R594 WeakPolarHBondContact O-CB 3.42Å; S590-R594 PolarHBondContact O-N 2.9Å
591E41Very low58.5Low125 Ų125101 Ų10158%0.58450%0.497SS*.Hα-helixtrans-77.4-29.9176.8-79.6-170.5148.400113.7A587 R588 D589 R594 Y595A587-E591 PolarHBondContact O-N 3.41Å; A587-E591 VanDerWaalsContact O-N 3.16Å; R588-E591 CarbonylContact O-C 3.51Å; R588-E591 PolarHBondContact O-N 2.93Å; D589-E591 PolarHBondContact O-N 2.94Å; E591-R594 CarbonylContact O-C 3.58Å; E591-R594 WeakPolarHBondContact O-CB 3.45Å; E591-R594 PolarHBondContact O-N 3.26Å; E591-Y595 WeakPolarHBondContact O-CB 3.39Å; E591-Y595 PolarHBondContact O-N 3.43Å
592S51.1Low57.6Low42 Ų42105.3 Ų105.329%0.29452%0.519SS..Hα-helixtrans-70.4-40.3174.61750000109.6R588 D589 R594 Y595 K596R588-S592 WeakPolarHBondContact O-CA 3.35Å; R588-S592 WeakPolarHBondContact O-CB 3.42Å; R588-S592 PolarHBondContact O-N 3.32Å; D589-S592 PolarHBondContact O-N 3.03Å; S592-R594 VanDerWaalsContact C-N 3.33Å; S592-Y595 PolarHBondContact O-N 3.37Å; S592-K596 VanDerWaalsContact O-CB 3.24Å; S592-K596 WeakPolarHBondContact O-CB 3.41Å; S592-K596 VanDerWaalsContact O-CG 3.23Å; S592-K596 WeakPolarHBondContact O-CG 3.36Å; S592-K596 PolarHBondContact O-N 3.11Å
593I55Low57.4Low89 Ų89108.6 Ų108.646%0.45653%0.526SS..Hα-helixtrans-61.5-44.1168.2-69164.1000109.9D589 Y595 K596 R597D589-I593 WeakPolarHBondContact O-CB 3.41Å; D589-I593 WeakPolarHBondContact O-CD1 3.09Å; D589-I593 WeakPolarHBondContact O-CG1 3.49Å; D589-I593 PolarHBondContact O-N 2.88Å; I593-Y595 PolarHBondContact O-N 3.4Å; I593-K596 PolarHBondContact O-N 2.89Å; I593-R597 WeakPolarHBondContact O-CB 3.46Å; I593-R597 VanDerWaalsContact O-CG 3.28Å; I593-R597 WeakPolarHBondContact O-CG 3.31Å; I593-R597 PolarHBondContact O-N 3.33Å
594R51.8Low57.5Low193 Ų193110.5 Ų110.573%0.72853%0.529SS*.Hα-helixtrans-63.5-40.8177.2-155.7177.1-166.9-1784.2112.2S590 E591 S592 R597 M598S590-R594 WeakPolarHBondContact O-CB 3.42Å; S590-R594 PolarHBondContact O-N 2.9Å; E591-R594 CarbonylContact O-C 3.58Å; E591-R594 WeakPolarHBondContact O-CB 3.45Å; E591-R594 PolarHBondContact O-N 3.26Å; S592-R594 VanDerWaalsContact C-N 3.33Å; R594-R597 PolarHBondContact O-N 3.43Å; R594-M598 WeakPolarHBondContact O-CB 3.5Å; R594-M598 PolarHBondContact O-N 3.23Å
595Y46.2Very low57Low126 Ų126109.4 Ų109.449%0.49453%0.531SS..Hα-helixtrans-71.1-42.3178.2-176-100.4000111.6E591 S592 I593 M598 Q599E591-Y595 WeakPolarHBondContact O-CB 3.39Å; E591-Y595 PolarHBondContact O-N 3.43Å; S592-Y595 PolarHBondContact O-N 3.37Å; I593-Y595 PolarHBondContact O-N 3.4Å; Y595-M598 HydrophobicContact CD2-CE 3.7Å; Y595-M598 HydrophobicContact CE2-CE 4Å; Y595-M598 CarbonylContact O-C 3.58Å; Y595-M598 PolarHBondContact O-N 2.93Å; Y595-Q599 HydrophobicContact CD1-CG 4.16Å; Y595-Q599 HydrophobicContact CE1-CG 3.79Å; Y595-Q599 VanDerWaalsContact CZ-NE2 3.33Å; Y595-Q599 WeakPolarHBondContact O-CB 3.36Å; Y595-Q599 WeakPolarHBondContact O-CG 3.36Å; Y595-Q599 PolarHBondContact O-N 3.08Å; Y595-Q599 PolarHBondContact OH-NE2 2.95Å
596K60.1Low56.9Low135 Ų135117 Ų11759%0.58755%0.55SS*.Hα-helixtrans-62.7-41172-75.7177.2-178.6-178.90111.4S592 I593 Q599 A600S592-K596 VanDerWaalsContact O-CB 3.24Å; S592-K596 WeakPolarHBondContact O-CB 3.41Å; S592-K596 VanDerWaalsContact O-CG 3.23Å; S592-K596 WeakPolarHBondContact O-CG 3.36Å; S592-K596 PolarHBondContact O-N 3.11Å; I593-K596 PolarHBondContact O-N 2.89Å; K596-Q599 PolarHBondContact O-N 3.44Å; K596-A600 VanDerWaalsContact O-CB 3.3Å; K596-A600 WeakPolarHBondContact O-CB 3.42Å; K596-A600 PolarHBondContact O-N 2.92Å
597R60.6Low57.9Low187 Ų187117.7 Ų117.771%0.70655%0.545SS*.Hα-helixtrans-61.6-44.8172.1-78.3178.5179.4-176.71.1111.3I593 R594 A600 L601I593-R597 WeakPolarHBondContact O-CB 3.46Å; I593-R597 VanDerWaalsContact O-CG 3.28Å; I593-R597 WeakPolarHBondContact O-CG 3.31Å; I593-R597 PolarHBondContact O-N 3.33Å; R594-R597 PolarHBondContact O-N 3.43Å; R597-A600 PolarHBondContact O-N 3.33Å; R597-L601 WeakPolarHBondContact O-CB 3.47Å; R597-L601 PolarHBondContact O-N 3.06Å
598M55.6Low58.5Low102 Ų102119.5 Ų119.550%0.50255%0.551SS.*Hα-helixtrans-64.8-43177.5-171.7174.269.500112.1R594 Y595 L601 L602R594-M598 WeakPolarHBondContact O-CB 3.5Å; R594-M598 PolarHBondContact O-N 3.23Å; Y595-M598 HydrophobicContact CD2-CE 3.7Å; Y595-M598 HydrophobicContact CE2-CE 4Å; Y595-M598 CarbonylContact O-C 3.58Å; Y595-M598 PolarHBondContact O-N 2.93Å; M598-L601 WeakPolarHBondContact O-CB 3.49Å; M598-L601 PolarHBondContact O-N 2.78Å; M598-L602 HydrophobicContact CG-CD1 4.42Å; M598-L602 WeakPolarHBondContact O-CG 3.31Å; M598-L602 PolarHBondContact O-N 3.08Å
599Q61.2Low59Low93 Ų93117.7 Ų117.744%0.43555%0.554SS.*Hα-helixtrans-63.8-42.2174.6-78.1-168-28.600112Y595 K596 L601 L602 Y603Y595-Q599 HydrophobicContact CD1-CG 4.16Å; Y595-Q599 HydrophobicContact CE1-CG 3.79Å; Y595-Q599 VanDerWaalsContact CZ-NE2 3.33Å; Y595-Q599 WeakPolarHBondContact O-CB 3.36Å; Y595-Q599 WeakPolarHBondContact O-CG 3.36Å; Y595-Q599 PolarHBondContact O-N 3.08Å; Y595-Q599 PolarHBondContact OH-NE2 2.95Å; K596-Q599 PolarHBondContact O-N 3.44Å; Q599-L601 VanDerWaalsContact C-N 3.26Å; Q599-L601 PolarHBondContact O-N 3.39Å; Q599-L602 PolarHBondContact O-N 2.98Å; Q599-Y603 WeakPolarHBondContact O-CB 3.2Å; Q599-Y603 PolarHBondContact O-N 2.98Å
600A68.8Low60.1Low47 Ų47116.1 Ų116.139%0.38855%0.552SS.*Hα-helixtrans-61.5-37.4174.500000111.5K596 R597 R604K596-A600 VanDerWaalsContact O-CB 3.3Å; K596-A600 WeakPolarHBondContact O-CB 3.42Å; K596-A600 PolarHBondContact O-N 2.92Å; R597-A600 PolarHBondContact O-N 3.33Å; A600-R604 WeakPolarHBondContact O-CG 3.17Å; A600-R604 PolarHBondContact O-N 2.9Å
601L62Low61.5Low115 Ų115118.9 Ų118.960%0.60255%0.554SS**Hα-helixtrans-65.7-49.4174.9-148.7113.2000111.1R597 M598 Q599 Y603 R604 T605R597-L601 WeakPolarHBondContact O-CB 3.47Å; R597-L601 PolarHBondContact O-N 3.06Å; M598-L601 WeakPolarHBondContact O-CB 3.49Å; M598-L601 PolarHBondContact O-N 2.78Å; Q599-L601 VanDerWaalsContact C-N 3.26Å; Q599-L601 PolarHBondContact O-N 3.39Å; L601-Y603 VanDerWaalsContact C-N 3.32Å; L601-Y603 PolarHBondContact O-N 3.48Å; L601-R604 PolarHBondContact O-N 3.38Å; L601-T605 PolarHBondContact O-N 3.27Å; L601-T605 PolarHBondContact O-OG1 2.94Å; L601-T605 VanDerWaalsContact O-OG1 3.04Å
602L57.7Low62.9Low110 Ų110117.2 Ų117.258%0.57655%0.546SS*.Hα-helixtrans-60.1-41177.5-72.6170.7000112.3M598 Q599 T605 R606M598-L602 HydrophobicContact CG-CD1 4.42Å; M598-L602 WeakPolarHBondContact O-CG 3.31Å; M598-L602 PolarHBondContact O-N 3.08Å; Q599-L602 PolarHBondContact O-N 2.98Å; L602-T605 PolarHBondContact O-N 3.29Å; L602-R606 WeakPolarHBondContact O-CB 3.33Å; L602-R606 PolarHBondContact O-N 3.42Å
603Y72.5Confident63.6Low161 Ų161118 Ų11863%0.63156%0.555SS**Hα-helixtrans-64.7-42.7176.3-177.6-102.2000112Q599 L601 R606 K607Q599-Y603 WeakPolarHBondContact O-CB 3.2Å; Q599-Y603 PolarHBondContact O-N 2.98Å; L601-Y603 VanDerWaalsContact C-N 3.32Å; L601-Y603 PolarHBondContact O-N 3.48Å; Y603-R606 PolarHBondContact O-N 3.43Å; Y603-K607 WeakPolarHBondContact O-CB 3.4Å; Y603-K607 PolarHBondContact O-N 3.27Å
604R74.1Confident64.7Low186 Ų186118 Ų11870%0.70255%0.553SS**Hα-helixtrans-60.2-47.3173.4-77.3178.2-176.6179.51111.2A600 L601 R606 K607 T608A600-R604 WeakPolarHBondContact O-CG 3.17Å; A600-R604 PolarHBondContact O-N 2.9Å; L601-R604 PolarHBondContact O-N 3.38Å; R604-R606 PolarHBondContact O-N 3.32Å; R604-K607 PolarHBondContact O-N 3.32Å; R604-T608 PolarHBondContact O-N 3.4Å; R604-T608 PolarHBondContact O-OG1 2.87Å
605T57.4Low65.9Low76 Ų76116.5 Ų116.547%0.46655%0.547SS..Hα-helixtrans-59.9-46.9178.2-54.70000111.5L601 L602 K607 T608 V609L601-T605 PolarHBondContact O-N 3.27Å; L601-T605 PolarHBondContact O-OG1 2.94Å; L601-T605 VanDerWaalsContact O-OG1 3.04Å; L602-T605 PolarHBondContact O-N 3.29Å; T605-K607 VanDerWaalsContact C-N 3.32Å; T605-K607 PolarHBondContact O-N 3.36Å; T605-T608 PolarHBondContact O-N 3.06Å; T605-V609 HydrophobicContact CG2-CG2 4.49Å; T605-V609 WeakPolarHBondContact O-CG2 3.47Å; T605-V609 PolarHBondContact O-N 3.17Å
606R65.8Low67.1Low203 Ų203118.6 Ų118.677%0.76656%0.556SS**Hα-helixtrans-60.3-41.1177.5-172.2177.8-179.5175.10.3112.1L602 Y603 R604 V609 S610L602-R606 WeakPolarHBondContact O-CB 3.33Å; L602-R606 PolarHBondContact O-N 3.42Å; Y603-R606 PolarHBondContact O-N 3.43Å; R604-R606 PolarHBondContact O-N 3.32Å; R606-V609 PolarHBondContact O-N 2.83Å; R606-S610 WeakPolarHBondContact O-CB 3.3Å; R606-S610 PolarHBondContact O-N 3.35Å
607K76.1Confident68.3Low118 Ų118117.4 Ų117.451%0.51355%0.551SS.*Hα-helixtrans-64.6-39.6176.8-169.4175.6-177.8176.80111.8Y603 R604 T605 K611Y603-K607 WeakPolarHBondContact O-CB 3.4Å; Y603-K607 PolarHBondContact O-N 3.27Å; R604-K607 PolarHBondContact O-N 3.32Å; T605-K607 VanDerWaalsContact C-N 3.32Å; T605-K607 PolarHBondContact O-N 3.36Å; K607-K611 WeakPolarHBondContact O-CG 3.46Å; K607-K611 PolarHBondContact O-N 3.32Å; K607-K611 VanDerWaalsContact O-N 3.1Å
608T67.2Low69.5Low87 Ų87112.2 Ų112.253%0.53454%0.537SS..Hα-helixtrans-65.8-46.4175.6-52.60000111.5R604 T605 S610 K611 E612R604-T608 PolarHBondContact O-N 3.4Å; R604-T608 PolarHBondContact O-OG1 2.87Å; T605-T608 PolarHBondContact O-N 3.06Å; T608-S610 VanDerWaalsContact C-N 3.33Å; T608-S610 PolarHBondContact O-N 3.07Å; T608-K611 PolarHBondContact O-N 2.9Å; T608-E612 PolarHBondContact O-N 3.01Å
609V60.3Low70.9Confident94 Ų94112.7 Ų112.757%0.5754%0.539SS*.Hα-helixtrans-60.3-42.8176.8172.60000111.3T605 R606 K611 E612 A613T605-V609 HydrophobicContact CG2-CG2 4.49Å; T605-V609 WeakPolarHBondContact O-CG2 3.47Å; T605-V609 PolarHBondContact O-N 3.17Å; R606-V609 PolarHBondContact O-N 2.83Å; V609-K611 VanDerWaalsContact C-N 3.33Å; V609-K611 PolarHBondContact O-N 2.72Å; V609-E612 PolarHBondContact O-N 3.17Å; V609-A613 WeakPolarHBondContact O-CB 3.44Å; V609-A613 PolarHBondContact O-N 3.07Å
610S68.8Low72.1Confident74 Ų74116.8 Ų116.852%0.51755%0.551SS.*Hα-helixtrans-63.7-37.3177.4-167.10000112.6R606 T608 E614R606-S610 WeakPolarHBondContact O-CB 3.3Å; R606-S610 PolarHBondContact O-N 3.35Å; T608-S610 VanDerWaalsContact C-N 3.33Å; T608-S610 PolarHBondContact O-N 3.07Å; S610-E614 PolarHBondContact O-N 3.14Å; S610-E614 VanDerWaalsContact O-N 3.12Å
611K77.7Confident72.9Confident133 Ų133120.1 Ų120.158%0.57856%0.558SS**Hα-helixtrans-67.1-40.5175.4-77.9-177.2173.4-167.80112.2K607 T608 V609 E614 R615K607-K611 WeakPolarHBondContact O-CG 3.46Å; K607-K611 PolarHBondContact O-N 3.32Å; K607-K611 VanDerWaalsContact O-N 3.1Å; T608-K611 PolarHBondContact O-N 2.9Å; V609-K611 VanDerWaalsContact C-N 3.33Å; V609-K611 PolarHBondContact O-N 2.72Å; K611-E614 PolarHBondContact O-N 2.88Å; K611-R615 WeakPolarHBondContact O-CG 3.4Å; K611-R615 PolarHBondContact O-N 3.44Å
612E70.7Confident74.1Confident91 Ų91118.8 Ų118.843%0.42556%0.555SS.*Hα-helixtrans-68.1-40.1176.5-76.8-58.6139.300112T608 V609 E614 R615 Y616T608-E612 PolarHBondContact O-N 3.01Å; V609-E612 PolarHBondContact O-N 3.17Å; E612-E614 VanDerWaalsContact C-N 3.32Å; E612-E614 PolarHBondContact O-N 2.99Å; E612-R615 WeakPolarHBondContact O-CB 3.47Å; E612-R615 PolarHBondContact O-N 2.94Å; E612-R615 IonicContact OE1-CZ 2.71Å; E612-R615 IonicContact OE1-NH1 3.73Å; E612-R615 PolarHBondContact OE1-NH1 2.8Å; E612-Y616 PolarHBondContact O-N 3.11Å
613A65.3Low75.3Confident58 Ų58118.5 Ų118.548%0.47955%0.553SS.*Hα-helixtrans-59.7-42.3173.700000112V609 Y616 K617V609-A613 WeakPolarHBondContact O-CB 3.44Å; V609-A613 PolarHBondContact O-N 3.07Å; A613-Y616 PolarHBondContact O-N 2.78Å; A613-K617 WeakPolarHBondContact O-CB 3.32Å; A613-K617 PolarHBondContact O-N 3.45Å
614E77.7Confident75.8Confident89 Ų89115.6 Ų115.642%0.41655%0.548SS..Hα-helixtrans-68.7-38.3177.5-15764.5-158.200112S610 K611 E612 Y616 K617 N618S610-E614 PolarHBondContact O-N 3.14Å; S610-E614 VanDerWaalsContact O-N 3.12Å; K611-E614 PolarHBondContact O-N 2.88Å; E612-E614 VanDerWaalsContact C-N 3.32Å; E612-E614 PolarHBondContact O-N 2.99Å; E614-Y616 VanDerWaalsContact C-N 3.3Å; E614-Y616 PolarHBondContact O-N 3.42Å; E614-K617 PolarHBondContact O-N 3.36Å; E614-K617 IonicContact OE1-NZ 2.64Å; E614-N618 WeakPolarHBondContact O-CB 3.34Å; E614-N618 VanDerWaalsContact O-CG 3.27Å; E614-N618 PolarHBondContact O-N 2.9Å; E614-N618 PolarHBondContact O-ND2 2.69Å
615R78.7Confident76.3Confident161 Ų161110.7 Ų110.761%0.60854%0.543SS*.Hα-helixtrans-57.6-44.4171.1-79.7176.9173.2-176.8-9111.7K611 E612 N618 M619K611-R615 WeakPolarHBondContact O-CG 3.4Å; K611-R615 PolarHBondContact O-N 3.44Å; E612-R615 WeakPolarHBondContact O-CB 3.47Å; E612-R615 PolarHBondContact O-N 2.94Å; E612-R615 IonicContact OE1-CZ 2.71Å; E612-R615 IonicContact OE1-NH1 3.73Å; E612-R615 PolarHBondContact OE1-NH1 2.8Å; R615-N618 PolarHBondContact O-N 3.32Å; R615-M619 WeakPolarHBondContact O-CB 3.46Å; R615-M619 PolarHBondContact O-N 2.93Å
616Y71Confident77.4Confident170 Ų170111.7 Ų111.767%0.66755%0.548SS*.Hα-helixtrans-66.3-40.6179.8-141.2-86.9000112E612 A613 E614 M619 R620E612-Y616 PolarHBondContact O-N 3.11Å; A613-Y616 PolarHBondContact O-N 2.78Å; E614-Y616 VanDerWaalsContact C-N 3.3Å; E614-Y616 PolarHBondContact O-N 3.42Å; Y616-M619 PolarHBondContact O-N 3.05Å; Y616-R620 WeakPolarHBondContact O-CB 3.47Å; Y616-R620 PolarHBondContact O-N 3.19Å
617K84.3Confident77.6Confident111 Ų111107.1 Ų107.148%0.48355%0.547SS..Hα-helixtrans-62.5-44.3175.3-173.9-176.6170.1-160.70111.7A613 E614 R620 Q621A613-K617 WeakPolarHBondContact O-CB 3.32Å; A613-K617 PolarHBondContact O-N 3.45Å; E614-K617 PolarHBondContact O-N 3.36Å; E614-K617 IonicContact OE1-NZ 2.64Å; K617-R620 PolarHBondContact O-N 3.4Å; K617-Q621 PolarHBondContact O-N 3.03Å
618N87.6Confident77Confident78 Ų78106.5 Ų106.542%0.41756%0.557SS.*Hα-helixtrans-64.7-44.4176.3-70-14.6000111.4E614 R615 R620 Q621 T622E614-N618 WeakPolarHBondContact O-CB 3.34Å; E614-N618 VanDerWaalsContact O-CG 3.27Å; E614-N618 PolarHBondContact O-N 2.9Å; E614-N618 PolarHBondContact O-ND2 2.69Å; R615-N618 PolarHBondContact O-N 3.32Å; N618-R620 VanDerWaalsContact C-N 3.3Å; N618-R620 PolarHBondContact O-N 3.03Å; N618-Q621 PolarHBondContact O-N 3.36Å; N618-Q621 VanDerWaalsContact O-N 3.16Å; N618-T622 PolarHBondContact O-N 3.32Å; N618-T622 PolarHBondContact O-OG1 3.49Å
619M84.4Confident76.2Confident112 Ų112104.8 Ų104.855%0.55256%0.556SS**Hα-helixtrans-58.4-42.3175.3-170.2-177.4-6100111.8R615 Y616 T622 L623R615-M619 WeakPolarHBondContact O-CB 3.46Å; R615-M619 PolarHBondContact O-N 2.93Å; Y616-M619 PolarHBondContact O-N 3.05Å; M619-T622 PolarHBondContact O-N 3.17Å; M619-L623 HydrophobicContact CG-CD1 4.48Å; M619-L623 WeakPolarHBondContact O-CG 3.42Å; M619-L623 PolarHBondContact O-N 2.98Å
620R85.4Confident75.6Confident179 Ų179108.3 Ų108.368%0.67557%0.572SS**Hα-helixtrans-64.6-40.9175.8-171179.3-179.5-170.20.3112.3Y616 K617 N618 L623 L624Y616-R620 WeakPolarHBondContact O-CB 3.47Å; Y616-R620 PolarHBondContact O-N 3.19Å; K617-R620 PolarHBondContact O-N 3.4Å; N618-R620 VanDerWaalsContact C-N 3.3Å; N618-R620 PolarHBondContact O-N 3.03Å; R620-L623 PolarHBondContact O-N 3.36Å; R620-L624 HydrophobicContact CG-CD1 4.23Å; R620-L624 WeakPolarHBondContact O-CG 3.47Å; R620-L624 PolarHBondContact O-N 3.35Å
621Q86Confident74.4Confident117 Ų117108.7 Ų108.755%0.54759%0.588SS.*Hα-helixtrans-65.3-41.2175.1-85.3-176.7-21.800112K617 N618 L623 L624 S625K617-Q621 PolarHBondContact O-N 3.03Å; N618-Q621 PolarHBondContact O-N 3.36Å; N618-Q621 VanDerWaalsContact O-N 3.16Å; Q621-L623 VanDerWaalsContact C-N 3.34Å; Q621-L623 PolarHBondContact O-N 3.3Å; Q621-L624 PolarHBondContact O-N 3.24Å; Q621-S625 WeakPolarHBondContact O-CB 3.46Å; Q621-S625 PolarHBondContact O-N 2.93Å; Q621-S625 PolarHBondContact O-OG 2.89Å
622T86.9Confident72.7Confident86 Ų86107.8 Ų107.853%0.52860%0.598SS.*Hα-helixtrans-59.2-46.3174.1-53.60000110.9N618 M619 L624 S625 T626N618-T622 PolarHBondContact O-N 3.32Å; N618-T622 PolarHBondContact O-OG1 3.49Å; M619-T622 PolarHBondContact O-N 3.17Å; T622-L624 PolarHBondContact O-N 2.89Å; T622-S625 PolarHBondContact O-N 3.28Å; T622-S625 PolarHBondContact O-OG 3.19Å; T622-T626 PolarHBondContact O-N 2.89Å; T622-T626 VanDerWaalsContact O-N 3.07Å; T622-T626 PolarHBondContact O-OG1 3.36Å
623L82.8Confident71Confident105 Ų105108.3 Ų108.355%0.5561%0.612SS.*Hα-helixtrans-62.7-39.9176.9-72.5169.2000113.2M619 R620 Q621 S625 T626 C627M619-L623 HydrophobicContact CG-CD1 4.48Å; M619-L623 WeakPolarHBondContact O-CG 3.42Å; M619-L623 PolarHBondContact O-N 2.98Å; R620-L623 PolarHBondContact O-N 3.36Å; Q621-L623 VanDerWaalsContact C-N 3.34Å; Q621-L623 PolarHBondContact O-N 3.3Å; L623-S625 VanDerWaalsContact C-N 3.34Å; L623-T626 WeakPolarHBondContact CA-OG1 3.42Å; L623-T626 PolarHBondContact O-N 3.49Å; L623-T626 PolarHBondContact O-OG1 2.92Å; L623-C627 PolarHBondContact O-N 3.19Å; L623-C627 PolarHBondContact O-SG 2.8Å
624L84.3Confident69.7Low100 Ų100111.5 Ų111.552%0.52463%0.626SS.*Hα-helixtrans-68.6-35.1177.4-73.6168.6000112.2R620 Q621 T622 C627 S628R620-L624 HydrophobicContact CG-CD1 4.23Å; R620-L624 WeakPolarHBondContact O-CG 3.47Å; R620-L624 PolarHBondContact O-N 3.35Å; Q621-L624 PolarHBondContact O-N 3.24Å; T622-L624 PolarHBondContact O-N 2.89Å; L624-C627 PolarHBondContact O-N 2.82Å; L624-S628 PolarHBondContact O-N 3.03Å; L624-S628 PolarHBondContact O-OG 3.14Å
625S83.5Confident67.8Low83 Ų83115.9 Ų115.958%0.5864%0.643SS**Hα-helixtrans-70.3-33.9177.269.20000112.7Q621 T622 L623Q621-S625 WeakPolarHBondContact O-CB 3.46Å; Q621-S625 PolarHBondContact O-N 2.93Å; Q621-S625 PolarHBondContact O-OG 2.89Å; T622-S625 PolarHBondContact O-N 3.28Å; T622-S625 PolarHBondContact O-OG 3.19Å; L623-S625 VanDerWaalsContact C-N 3.34Å
626T81Confident65.6Low96 Ų96116.1 Ų116.159%0.58965%0.651SS**Hα-helixtrans-75-27.4175.545.40000113T622 L623T622-T626 PolarHBondContact O-N 2.89Å; T622-T626 VanDerWaalsContact O-N 3.07Å; T622-T626 PolarHBondContact O-OG1 3.36Å; L623-T626 WeakPolarHBondContact CA-OG1 3.42Å; L623-T626 PolarHBondContact O-N 3.49Å; L623-T626 PolarHBondContact O-OG1 2.92Å
627C70.5Confident64Low108 Ų108118.4 Ų118.473%0.7367%0.665SS**Hα-helixtrans-81.7-16.5178.2-68.40000114.8L623 L624L623-C627 PolarHBondContact O-N 3.19Å; L623-C627 PolarHBondContact O-SG 2.8Å; L624-C627 PolarHBondContact O-N 2.82Å
628S62.9Low61.5Low105 Ų105120.8 Ų120.873%0.73468%0.683SS**THydrogen-bonded Turntrans-92.83.7-173.9-56.50000114.5L624L624-S628 PolarHBondContact O-N 3.03Å; L624-S628 PolarHBondContact O-OG 3.14Å
629G49.6Very low59Low50 Ų50120.9 Ų120.952%0.51570%0.703SS.*SBendtrans-111.986.3177.300000111.6
630N48.1Very low56.6Low169 Ų169127.4 Ų127.490%0.90472%0.721SS**  trans157.2103.3148-82.2-15.9000109.5
631G43.4Very low55Low82 Ų82124.2 Ų124.285%0.84572%0.724SS**  trans-175.552.8-179.800000112.7
632S42.3Very low52.4Low113 Ų113123.1 Ų123.179%0.7973%0.734SS**  trans-74142.7172.71.10000111.6
633S35.2Very low50.3Low103 Ų103124.6 Ų124.672%0.7275%0.746SS**  trans76.1108.1144.1162.10000120
634T38.7Very low47.9Very low125 Ų125123.9 Ų123.977%0.76776%0.755SS**  164.9109.9117.3340000109.9
635K37.7Very low45.8Very low181 Ų181124.9 Ų124.979%0.78777%0.769SS**  79.6110.298.8-91.8-168.7175.5-173.80116.7
636E31.4Very low43.4Very low165 Ų165126.9 Ų126.977%0.77178%0.783SS**  trans37.1122.7135.4-67176.4138.400120.6
637F37.4Very low40.9Very low218 Ų218125.9 Ų125.996%0.95679%0.791SS**  trans-157.1131130.1-127.2-91.4000111.9
638N33.4Very low39.3Very low161 Ų161130 Ų13086%0.86180%0.802SS**  trans-80.3153.8175.6-80.9-51.2000111.9
639G33.9Very low37.9Very low81 Ų81133.5 Ų133.584%0.83580%0.804SS**  trans169.4129.3163.700000114.3
640R33.7Very low36.8Very low249 Ų249138.9 Ų138.994%0.9482%0.816SS**  trans-104.7-166.2-163.1-135.8-166.9-157.3-156.86.9111.3
641P51.6Low36.1Very low112 Ų112139.5 Ų139.573%0.72781%0.814SS**  -125-170.9-117.543-25000117.7
642A31.5Very low35.6Very low93 Ų93140.6 Ų140.677%0.76981%0.809SS**  trans98.8161.5155.300000118.2
643P43.9Very low35Very low118 Ų118139.7 Ų139.777%0.76681%0.808SS**  cis-137.4171.6-938.9-19.9000117.3
644A32.6Very low34.7Very low90 Ų90142.3 Ų142.374%0.74481%0.812SS**  trans52.1124.813700000124.6
645C39Very low34.5Very low121 Ų121142 Ų14282%0.81881%0.812SS**  -167.8111.5129.7-87.70000107
646S33.1Very low34.5Very low125 Ų125142.1 Ų142.187%0.87482%0.82SS**  54.6121.186-45.10000112.2
647G28.7Very low34.6Very low74 Ų74144.2 Ų144.276%0.76382%0.821SS**  cis170158.43.200000107.4
648M37Very low34.2Very low194 Ų194143.1 Ų143.196%0.95681%0.81SS**  trans169.5129139.7-90.7-163.181.100110.6
649F34.2Very low34.5Very low179 Ų179142.7 Ų142.779%0.78580%0.803SS**  trans-55.5138.9-178-86.5-112.5000113.3
650E26Very low34.3Very low163 Ų163143.5 Ų143.576%0.76280%0.802SS**  81.7113.163.8-155.6-178.2-128.900112.4
651E32.7Very low34.6Very low183 Ų183135 Ų13586%0.85579%0.791SS**  trans-164.3128.2144.6-126.7175.7176.100113.9
652S34.6Very low33.8Very low105 Ų105136.2 Ų136.273%0.73480%0.797SS**  trans66.8111.4154.658.80000118.8
653A28.2Very low33.7Very low93 Ų93136 Ų13677%0.76979%0.789SS**  cis55.4120.644.300000112
654I30.5Very low33Very low159 Ų159138.7 Ų138.782%0.81579%0.792SS**  -165149.458.1-76.5171.8000109.6
655P33.4Very low34.1Very low117 Ų117144.7 Ų144.776%0.7682%0.819SS**  trans-96.5151.2-176.937-33000114.9
656L37.4Very low33.8Very low184 Ų184145.9 Ų145.996%0.96382%0.819SS**  trans-86.4115.1172.3-93.4154.5000112.1
657R33.1Very low33.9Very low210 Ų210146.9 Ų146.979%0.79282%0.817SS**  trans-58.5132.6164.4-101.2179.8177.3-176.40.1111.5
658R29.5Very low34.1Very low194 Ų194151 Ų15173%0.73282%0.82SS**  87.8138.486.7-91.3-168.4-176.2-169.14.9116.4
659H38.9Very low34Very low152 Ų152148.5 Ų148.570%0.70481%0.812SS**  trans77.4120.9160.2-65.3-61.2000116.9
660A31.2Very low34Very low98 Ų98146.6 Ų146.681%0.8181%0.813SS**  cis78.8127.949.300000114.2
661G40.3Very low34.5Very low70 Ų70145.5 Ų145.572%0.72282%0.817SS**  trans124.3103.817800000109.9
662V34.4Very low34.6Very low138 Ų138142.8 Ų142.884%0.83681%0.814SS**  cis73.4117.436.7-174.70000115.2
663S28.5Very low34.6Very low88 Ų88145.7 Ų145.762%0.61582%0.82SS**  trans85.5130.7148.7-89.30000122.5
664Q28.5Very low35.2Very low176 Ų176150.1 Ų150.182%0.82282%0.824SS**  44.1123123.8-59.7171.9-17.100115.9
665T56Low35.6Very low215 Ų215149.3 Ų149.3100%1.31983%0.825SS**  cis-147.3046.242.80000111.8

Retrieved 665 of 665 residues in 383.5 ms (Link to these results)

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