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Isoform 3 of Catenin alpha-2 AlphaSync

Canonical isoform description: May function as a linker between cadherin adhesion receptors and the cytoskeleton to regulate cell-cell adhesion and differentiation in the nervous system (By similarity). Required for proper regulation of cortical neuronal migration and neurite growth1. It acts as a negative regulator of Arp2/3 complex activity and Arp2/3-mediated actin polymerization2. It thereby suppresses excessive actin branching which would impair neurite growth and stability3. Regulates morphological plasticity of synapses and cerebellar and hippocampal lamination during development. Functions in the control of startle modulation (By similarity).

AlphaFold DB , UniProt , Accession P26232-3 (canonical: P26232), Species HUMAN (Homo sapiens, Human), Gene CTNNA2, Length 860 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
1M32Very low53.6Low242 Ų242110.7 Ų110.7100%1.19265%0.648SS**  0113.40-70.6177.7171.800106.5S3M1-S3 PolarHBondContact O-N 3.39Å
2T32.8Very low54.5Low146 Ų146102.1 Ų102.190%0.89660%0.596SS**  trans-66.7101.8169.344.80000106.3A4T2-A4 PolarHBondContact O-N 3.41Å; T2-A4 VanDerWaalsContact O-N 3.09Å
3S40Very low55.6Low94 Ų94101 Ų10166%0.65759%0.587SS**  trans-51.3120.2169.2-176.90000106.4M1 T5M1-S3 PolarHBondContact O-N 3.39Å; S3-T5 PolarHBondContact O-N 3.05Å
4A37.6Very low56Low97 Ų9797.6 Ų97.680%0.80257%0.569SS**  trans-66.884.7176.200000106.9T2 S6T2-A4 PolarHBondContact O-N 3.41Å; T2-A4 VanDerWaalsContact O-N 3.09Å; A4-S6 PolarHBondContact O-N 3.34Å; A4-S6 VanDerWaalsContact O-N 3.08Å
5T44.2Very low56.4Low88 Ų88102.8 Ų102.854%0.5458%0.582SS.*  trans-60.4111.1178330000108.2S3 K154S3-T5 PolarHBondContact O-N 3.05Å; T5-K154 VanDerWaalsContact CB-NZ 3.33Å
6S51.1Low57.4Low91 Ų9198.3 Ų98.364%0.63656%0.559SS**  trans-49.8131170.1-56.20000109.3A4 K154A4-S6 PolarHBondContact O-N 3.34Å; A4-S6 VanDerWaalsContact O-N 3.08Å; S6-K154 PolarHBondContact O-NZ 2.85Å
7P63.9Low58.2Low107 Ų10798.6 Ų98.670%0.69556%0.558SS**  trans-59.2143.1-179.522.7-31.2000110.3I9P7-I9 PolarHBondContact O-N 3.27Å; P7-I9 VanDerWaalsContact O-N 3.13Å
8I71.7Confident59.5Low53 Ų5398.7 Ų98.727%0.27255%0.553SS.*  trans-66.7111.8171.7-63.2171.9000106.5L150 K154I8-L150 HydrophobicContact CG2-CB 3.84Å; I8-L150 HydrophobicContact CG2-CD1 3.92Å; I8-K154 HydrophobicContact CG1-CD 4.34Å
9I71Confident60.8Low133 Ų13396.2 Ų96.268%0.68254%0.538SS*.  trans-92.6108.1177.2-58.6172.9000107.4P7 K11P7-I9 PolarHBondContact O-N 3.27Å; P7-I9 VanDerWaalsContact O-N 3.13Å; I9-K11 PolarHBondContact O-N 2.94Å
10L71.8Confident62Low34 Ų3493.4 Ų93.418%0.17852%0.519CS..  trans-72123.5169.9-171.971.8000109W12 M143 V146 M147 L150L10-W12 VanDerWaalsContact C-N 3.28Å; L10-W12 HydrophobicContact CD1-CB 4.29Å; L10-W12 HydrophobicContact CD2-CB 4.12Å; L10-W12 HydrophobicContact CG-CB 3.96Å; L10-M143 HydrophobicContact CD2-CB 4.48Å; L10-M143 HydrophobicContact CD2-CE 3.31Å; L10-M143 HydrophobicContact CD2-CG 4.5Å; L10-V146 HydrophobicContact CD1-CG1 3.97Å; L10-M147 HydrophobicContact CD1-CG 4.21Å; L10-L150 HydrophobicContact CD1-CD1 4.02Å
11K73.5Confident63.4Low133 Ų13389 Ų8958%0.57850%0.495SS*.  trans-82.9-4.5176.9-65.5179.1-179174.20113.6I9 T261I9-K11 PolarHBondContact O-N 2.94Å; K11-T261 HydrophobicContact CB-CG2 3.7Å; K11-T261 HydrophobicContact CD-CG2 3.94Å
12W64.4Low66.1Low7 Ų779.3 Ų79.33%0.02745%0.447CS..SBendtrans-91.5125.7179.9-177.710.7000110.7L10 P14 S16 R20 I139 D142 M143 V146L10-W12 VanDerWaalsContact C-N 3.28Å; L10-W12 HydrophobicContact CD1-CB 4.29Å; L10-W12 HydrophobicContact CD2-CB 4.12Å; L10-W12 HydrophobicContact CG-CB 3.96Å; W12-P14 VanDerWaalsContact O-CD 3.28Å; W12-P14 WeakPolarHBondContact O-CD 3.49Å; W12-S16 PolarHBondContact NE1-OG 3.34Å; W12-R20 HydrophobicContact CZ2-CG 4.25Å; W12-I139 HydrophobicContact CH2-CG2 4.2Å; W12-I139 HydrophobicContact CZ2-CG2 3.76Å; W12-D142 HydrophobicContact CH2-CB 4.2Å; W12-D142 VanDerWaalsContact CH2-OD2 3.23Å; W12-D142 WeakPolarHBondContact CH2-OD2 3.42Å; W12-D142 VanDerWaalsContact CZ3-OD2 3.29Å; W12-D142 WeakPolarHBondContact CZ3-OD2 3.39Å; W12-M143 HydrophobicContact CD2-CG 3.75Å; W12-M143 HydrophobicContact CD2-SD 4.37Å; W12-M143 HydrophobicContact CE3-CB 4.31Å; W12-M143 HydrophobicContact CE3-CG 3.36Å; W12-M143 HydrophobicContact CH2-CG 3.58Å; W12-M143 HydrophobicContact CZ2-CG 3.97Å; W12-M143 HydrophobicContact CZ3-CB 4.12Å; W12-M143 HydrophobicContact CZ3-CG 3.26Å; W12-V146 HydrophobicContact CZ3-CG2 4.22Å
13D69.4Low68.8Low88 Ų8875.4 Ų75.447%0.47142%0.423SS..  trans-67.5116.4177.3-178.98.4000111.9K15 S16D13-K15 PolarHBondContact O-N 2.78Å; D13-K15 WeakPolarHBondContact OD1-CB 3.42Å; D13-K15 PolarHBondContact OD1-N 3.03Å; D13-S16 WeakPolarHBondContact O-CB 3.5Å; D13-S16 PolarHBondContact O-N 3.09Å; D13-S16 PolarHBondContact O-OG 3.02Å
14P60.5Low71.1Confident53 Ų5371.4 Ų71.434%0.34440%0.395SS..THydrogen-bonded Turntrans-61.4-13.1175.622.9-32.7000114.8W12 L140 M143W12-P14 VanDerWaalsContact O-CD 3.28Å; W12-P14 WeakPolarHBondContact O-CD 3.49Å; P14-L140 HydrophobicContact CB-CD2 4.48Å; P14-M143 VanDerWaalsContact CA-CE 3.44Å; P14-M143 HydrophobicContact CB-CE 3.52Å; P14-M143 HydrophobicContact CB-SD 4.28Å; P14-M143 HydrophobicContact CG-CE 4.43Å
15K62.7Low73.6Confident176 Ų17670 Ų7077%0.76537%0.372SS*.THydrogen-bonded Turntrans-89.4-12.9176.3-61.2179.7-179.2175.20113.2D13D13-K15 PolarHBondContact O-N 2.78Å; D13-K15 WeakPolarHBondContact OD1-CB 3.42Å; D13-K15 PolarHBondContact OD1-N 3.03Å
16S72.3Confident75.7Confident31 Ų3174 Ų7422%0.21738%0.377CS..  trans-70.5136.1178.269.30000111W12 D13W12-S16 PolarHBondContact NE1-OG 3.34Å; D13-S16 WeakPolarHBondContact O-CB 3.5Å; D13-S16 PolarHBondContact O-N 3.09Å; D13-S16 PolarHBondContact O-OG 3.02Å
17L70.9Confident77.4Confident103 Ų10374.3 Ų74.354%0.53937%0.371SS..  trans-93.826.4173.1-70.3174.5000111.8I19 T135 R136 I139L17-I19 PolarHBondContact O-N 3.03Å; L17-T135 HydrophobicContact CD2-CG2 4.28Å; L17-R136 HydrophobicContact CD2-CB 4.37Å; L17-I139 VanDerWaalsContact C-CD1 3.49Å; L17-I139 HydrophobicContact CB-CD1 4.34Å; L17-I139 HydrophobicContact CD2-CD1 4.09Å
18E80.9Confident78.4Confident100 Ų10069.4 Ų69.447%0.46734%0.339SS..  trans-75.9120.8-179-170.5-175.7-164.400110.5R20E18-R20 HydrophobicContact CG-CG 4.12Å; E18-R20 PolarHBondContact O-N 2.9Å; E18-R20 IonicContact OE2-CZ 3.2Å; E18-R20 VanDerWaalsContact OE2-CZ 3.28Å; E18-R20 IonicContact OE2-NE 3.81Å; E18-R20 PolarHBondContact OE2-NE 3.45Å; E18-R20 IonicContact OE2-NH2 3.8Å; E18-R20 PolarHBondContact OE2-NH2 3.36Å
19I84.2Confident79Confident51 Ų5172.7 Ų72.726%0.26235%0.353SS..  trans-87.5110.6176.5-61166.1000108.8L17 V24 E25 L28 I139L17-I19 PolarHBondContact O-N 3.03Å; I19-V24 HydrophobicContact CG1-CG1 4.2Å; I19-V24 HydrophobicContact CG2-CB 3.94Å; I19-V24 HydrophobicContact CG2-CG1 3.79Å; I19-E25 HydrophobicContact CG2-CB 3.96Å; I19-L28 HydrophobicContact CD1-CD1 3.61Å; I19-L28 HydrophobicContact CG1-CD1 4.28Å; I19-I139 HydrophobicContact CG1-CD1 4.5Å
20R85.5Confident79.4Confident41 Ų4169.5 Ų69.516%0.15534%0.341CS..  trans-101.8-10-175.7-64.2-179.5175.8-162-11.1114.7W12 E18 K198 Q259W12-R20 HydrophobicContact CZ2-CG 4.25Å; E18-R20 HydrophobicContact CG-CG 4.12Å; E18-R20 PolarHBondContact O-N 2.9Å; E18-R20 IonicContact OE2-CZ 3.2Å; E18-R20 VanDerWaalsContact OE2-CZ 3.28Å; E18-R20 IonicContact OE2-NE 3.81Å; E18-R20 PolarHBondContact OE2-NE 3.45Å; E18-R20 IonicContact OE2-NH2 3.8Å; E18-R20 PolarHBondContact OE2-NH2 3.36Å; R20-K198 WeakPolarHBondContact O-CB 3.45Å; R20-K198 PolarHBondContact O-N 2.77Å; R20-Q259 PolarHBondContact NH1-O 2.98Å
21T89.9Confident79.8Confident2 Ų271.2 Ų71.21%0.01235%0.35CS..BIsolated β-bridgetrans-120.2142.2179.750.70000113.5T23 V24 E25 D142 E196T21-T23 PolarHBondContact O-N 3.42Å; T21-V24 PolarHBondContact O-N 3.26Å; T21-V24 VanDerWaalsContact OG1-CG2 3.31Å; T21-V24 WeakPolarHBondContact OG1-CG2 3.37Å; T21-E25 PolarHBondContact O-N 3.27Å; T21-E25 VanDerWaalsContact O-N 3.09Å; T21-D142 WeakPolarHBondContact CG2-OD1 3.3Å; T21-D142 PolarHBondContact OG1-OD1 2.89Å; T21-E196 CarbonylContact C-O 3.52Å; T21-E196 WeakPolarHBondContact CA-O 3.29Å; T21-E196 WeakPolarHBondContact CB-O 3.46Å; T21-E196 HydrophobicContact CG2-CB 4.08Å
22L89.9Confident80.1Confident38 Ų3868 Ų6820%0.19934%0.341CS..Hα-helixtrans-59.8-33.3175.3-64.2172.1000111.4R26 E196 K198L22-R26 VanDerWaalsContact O-CB 3.3Å; L22-R26 WeakPolarHBondContact O-CB 3.47Å; L22-R26 WeakPolarHBondContact O-CG 3.13Å; L22-R26 PolarHBondContact O-N 3.14Å; L22-E196 PolarHBondContact N-O 2.87Å; L22-K198 HydrophobicContact CD2-CB 4.32Å; L22-K198 HydrophobicContact CD2-CG 4.23Å
23T88.9Confident80.6Confident63 Ų6371.3 Ų71.339%0.38736%0.363SS..Hα-helixtrans-64.5-49.1178.2-56.20000111.3T21 E25 R26 L27T21-T23 PolarHBondContact O-N 3.42Å; T23-E25 VanDerWaalsContact C-N 3.34Å; T23-E25 PolarHBondContact O-N 3.21Å; T23-R26 PolarHBondContact O-N 3.15Å; T23-L27 HydrophobicContact CG2-CD1 4.06Å; T23-L27 WeakPolarHBondContact O-CB 3.47Å; T23-L27 VanDerWaalsContact O-CG 3.24Å; T23-L27 WeakPolarHBondContact O-CG 3.33Å; T23-L27 PolarHBondContact O-N 2.79Å
24V89.2Confident80.8Confident11 Ų1173.2 Ų73.27%0.06737%0.369CS..Hα-helixtrans-64.2-41.5178173.50000110.6I19 T21 L27 L28 L138 D142I19-V24 HydrophobicContact CG1-CG1 4.2Å; I19-V24 HydrophobicContact CG2-CB 3.94Å; I19-V24 HydrophobicContact CG2-CG1 3.79Å; T21-V24 PolarHBondContact O-N 3.26Å; T21-V24 VanDerWaalsContact OG1-CG2 3.31Å; T21-V24 WeakPolarHBondContact OG1-CG2 3.37Å; V24-L27 PolarHBondContact O-N 2.86Å; V24-L28 HydrophobicContact CG1-CD1 3.7Å; V24-L28 HydrophobicContact CG1-CG 4.38Å; V24-L28 WeakPolarHBondContact O-CB 3.32Å; V24-L28 WeakPolarHBondContact O-CG 3.43Å; V24-L28 PolarHBondContact O-N 3.49Å; V24-L138 HydrophobicContact CG1-CB 4.01Å; V24-L138 HydrophobicContact CG1-CD1 4.46Å; V24-L138 HydrophobicContact CG2-CB 4.29Å; V24-D142 HydrophobicContact CG2-CB 4.46Å
25E88.7Confident81.3Confident68 Ų6871.8 Ų71.832%0.31836%0.359SS..Hα-helixtrans-59.1-51.2175.8-177.6165.6-131.400112.2I19 T21 T23 L27 L28 E29 K198I19-E25 HydrophobicContact CG2-CB 3.96Å; T21-E25 PolarHBondContact O-N 3.27Å; T21-E25 VanDerWaalsContact O-N 3.09Å; T23-E25 VanDerWaalsContact C-N 3.34Å; T23-E25 PolarHBondContact O-N 3.21Å; E25-L27 VanDerWaalsContact C-N 3.32Å; E25-L27 PolarHBondContact O-N 3.36Å; E25-L28 PolarHBondContact O-N 2.91Å; E25-E29 WeakPolarHBondContact O-CB 3.38Å; E25-E29 PolarHBondContact O-N 3.38Å; E25-K198 WeakPolarHBondContact OE1-CE 3.41Å; E25-K198 IonicContact OE1-NZ 3.74Å; E25-K198 PolarHBondContact OE1-NZ 3.49Å; E25-K198 WeakPolarHBondContact OE2-CD 3.43Å; E25-K198 WeakPolarHBondContact OE2-CE 3.5Å; E25-K198 IonicContact OE2-NZ 3.23Å
26R89.3Confident81.7Confident171 Ų17166.5 Ų66.565%0.64534%0.341SS*.Hα-helixtrans-63-35.1178.8-73.6171.9-180177.61.2113L22 T23 P30L22-R26 VanDerWaalsContact O-CB 3.3Å; L22-R26 WeakPolarHBondContact O-CB 3.47Å; L22-R26 WeakPolarHBondContact O-CG 3.13Å; L22-R26 PolarHBondContact O-N 3.14Å; T23-R26 PolarHBondContact O-N 3.15Å; R26-P30 WeakPolarHBondContact O-CD 3.26Å
27L86.2Confident81.6Confident98 Ų9868.7 Ų68.751%0.51335%0.353SS..Hα-helixtrans-70.1-36.7176.4-73.8172.6000112T23 V24 E25 L138T23-L27 HydrophobicContact CG2-CD1 4.06Å; T23-L27 WeakPolarHBondContact O-CB 3.47Å; T23-L27 VanDerWaalsContact O-CG 3.24Å; T23-L27 WeakPolarHBondContact O-CG 3.33Å; T23-L27 PolarHBondContact O-N 2.79Å; V24-L27 PolarHBondContact O-N 2.86Å; E25-L27 VanDerWaalsContact C-N 3.32Å; E25-L27 PolarHBondContact O-N 3.36Å; L27-L138 HydrophobicContact CB-CD1 4.38Å; L27-L138 HydrophobicContact CD1-CD2 4.42Å
28L86.3Confident81.4Confident4 Ų466.6 Ų66.62%0.02134%0.343CS..Hα-helixtrans-82.5-29.7-178.9-72.1173.7000113.3I19 V24 E25 L31 V32 L131 V134 T135 L138I19-L28 HydrophobicContact CD1-CD1 3.61Å; I19-L28 HydrophobicContact CG1-CD1 4.28Å; V24-L28 HydrophobicContact CG1-CD1 3.7Å; V24-L28 HydrophobicContact CG1-CG 4.38Å; V24-L28 WeakPolarHBondContact O-CB 3.32Å; V24-L28 WeakPolarHBondContact O-CG 3.43Å; V24-L28 PolarHBondContact O-N 3.49Å; E25-L28 PolarHBondContact O-N 2.91Å; L28-L31 HydrophobicContact CD2-CD1 4.39Å; L28-L31 WeakPolarHBondContact O-CB 3.39Å; L28-L31 PolarHBondContact O-N 3Å; L28-V32 HydrophobicContact CB-CG2 4.46Å; L28-V32 WeakPolarHBondContact O-CG2 3.33Å; L28-V32 PolarHBondContact O-N 3.4Å; L28-L131 HydrophobicContact CD2-CD1 4.09Å; L28-V134 HydrophobicContact CD2-CG1 4.24Å; L28-T135 HydrophobicContact CD1-CG2 3.78Å; L28-T135 WeakPolarHBondContact CD2-OG1 3.27Å; L28-L138 HydrophobicContact CD1-CD1 4.43Å; L28-L138 HydrophobicContact CD2-CD1 3.8Å; L28-L138 HydrophobicContact CG-CD1 3.89Å
29E83.3Confident80.6Confident121 Ų12163 Ų6357%0.56533%0.328SS*.Hα-helixtrans-50.9-52.7-175.7173.6-179.5-161.300113E25 L31 V32 T33E25-E29 WeakPolarHBondContact O-CB 3.38Å; E25-E29 PolarHBondContact O-N 3.38Å; E29-L31 VanDerWaalsContact C-N 3.29Å; E29-L31 PolarHBondContact O-N 3.26Å; E29-V32 PolarHBondContact O-N 2.84Å; E29-T33 PolarHBondContact O-N 3.09Å; E29-T33 PolarHBondContact O-OG1 2.69Å
30P80.4Confident79.6Confident67 Ų6765.4 Ų65.444%0.43534%0.341SS..Hα-helixtrans-60.1-37.3177.6-22.832.8000113.4R26 Q34R26-P30 WeakPolarHBondContact O-CD 3.26Å; P30-Q34 WeakPolarHBondContact O-CB 2.97Å; P30-Q34 WeakPolarHBondContact O-CG 3.5Å; P30-Q34 PolarHBondContact O-N 2.91Å
31L78.5Confident78.3Confident70 Ų7066.3 Ų66.337%0.36635%0.351SS..Hα-helixtrans-69.1-45.1179.8-68.7166.2000110.7L28 E29 Q34 V35 L131 V134L28-L31 HydrophobicContact CD2-CD1 4.39Å; L28-L31 WeakPolarHBondContact O-CB 3.39Å; L28-L31 PolarHBondContact O-N 3Å; E29-L31 VanDerWaalsContact C-N 3.29Å; E29-L31 PolarHBondContact O-N 3.26Å; L31-Q34 PolarHBondContact O-N 2.76Å; L31-V35 WeakPolarHBondContact O-CB 3.24Å; L31-V35 VanDerWaalsContact O-CG2 3.31Å; L31-V35 WeakPolarHBondContact O-CG2 3.06Å; L31-V35 PolarHBondContact O-N 2.75Å; L31-L131 HydrophobicContact CB-CD1 3.84Å; L31-V134 HydrophobicContact CD1-CG1 4.33Å
32V79.9Confident76.5Confident64 Ų6468.9 Ų68.939%0.38837%0.369SS..Hα-helixtrans-60.8-45.8176.1173.90000110.2L28 E29 Q34 T36 L131L28-V32 HydrophobicContact CB-CG2 4.46Å; L28-V32 WeakPolarHBondContact O-CG2 3.33Å; L28-V32 PolarHBondContact O-N 3.4Å; E29-V32 PolarHBondContact O-N 2.84Å; V32-Q34 PolarHBondContact O-N 2.88Å; V32-T36 WeakPolarHBondContact O-CB 3.37Å; V32-T36 PolarHBondContact O-N 2.95Å; V32-T36 PolarHBondContact O-OG1 3.19Å; V32-L131 HydrophobicContact CG2-CD1 4.37Å; V32-L131 HydrophobicContact CG2-CD2 4.06Å
33T75.1Confident74.7Confident78 Ų7874 Ų7448%0.47940%0.396SS..Hα-helixtrans-61-44.7177.1-53.20000111.8E29 T36 T37E29-T33 PolarHBondContact O-N 3.09Å; E29-T33 PolarHBondContact O-OG1 2.69Å; T33-T36 PolarHBondContact O-N 3.19Å; T33-T37 WeakPolarHBondContact O-CB 3.42Å; T33-T37 PolarHBondContact O-N 3.34Å; T33-T37 PolarHBondContact O-OG1 3Å
34Q73.7Confident72.9Confident128 Ų12879.4 Ų79.460%0.59842%0.415SS*.Hα-helixtrans-64.4-49.6179.4-75.2175.42100111.8P30 L31 V32 T36 T37 L38P30-Q34 WeakPolarHBondContact O-CB 2.97Å; P30-Q34 WeakPolarHBondContact O-CG 3.5Å; P30-Q34 PolarHBondContact O-N 2.91Å; L31-Q34 PolarHBondContact O-N 2.76Å; V32-Q34 PolarHBondContact O-N 2.88Å; Q34-T36 VanDerWaalsContact C-N 3.33Å; Q34-T36 PolarHBondContact O-N 3.25Å; Q34-T37 PolarHBondContact O-N 2.95Å; Q34-L38 WeakPolarHBondContact O-CB 3.22Å; Q34-L38 PolarHBondContact O-N 2.98Å
35V71.4Confident71.1Confident23 Ų2380.9 Ų80.914%0.13943%0.432CS..Hα-helixtrans-61.2-43.3177.8173.60000110.8L31 T37 L38 V39 A127 R128 L131L31-V35 WeakPolarHBondContact O-CB 3.24Å; L31-V35 VanDerWaalsContact O-CG2 3.31Å; L31-V35 WeakPolarHBondContact O-CG2 3.06Å; L31-V35 PolarHBondContact O-N 2.75Å; V35-T37 PolarHBondContact O-N 2.82Å; V35-L38 WeakPolarHBondContact O-CB 3.23Å; V35-L38 PolarHBondContact O-N 3.37Å; V35-V39 WeakPolarHBondContact O-CG2 3.41Å; V35-V39 PolarHBondContact O-N 2.87Å; V35-A127 HydrophobicContact CG2-CB 4.32Å; V35-R128 HydrophobicContact CG1-CG 3.99Å; V35-L131 HydrophobicContact CB-CD2 4.2Å; V35-L131 HydrophobicContact CG1-CD2 4.34Å; V35-L131 HydrophobicContact CG2-CD2 4.14Å
36T71.3Confident69.3Low64 Ų6484 Ų8439%0.39346%0.458SS..Hα-helixtrans-63.8-39.8177.6-58.20000111.8V32 T33 Q34 L38 V39 N40V32-T36 WeakPolarHBondContact O-CB 3.37Å; V32-T36 PolarHBondContact O-N 2.95Å; V32-T36 PolarHBondContact O-OG1 3.19Å; T33-T36 PolarHBondContact O-N 3.19Å; Q34-T36 VanDerWaalsContact C-N 3.33Å; Q34-T36 PolarHBondContact O-N 3.25Å; T36-L38 VanDerWaalsContact C-N 3.35Å; T36-V39 PolarHBondContact O-N 2.93Å; T36-N40 WeakPolarHBondContact O-CB 3.15Å; T36-N40 VanDerWaalsContact O-CG 3.31Å; T36-N40 PolarHBondContact O-N 3.49Å; T36-N40 PolarHBondContact O-ND2 2.63Å
37T69.4Low67.6Low77 Ų7780.1 Ų80.147%0.47246%0.457SS..Hα-helixtrans-64.6-40.7175.1-58.90000111.5T33 Q34 V35 V39 N40 T41T33-T37 WeakPolarHBondContact O-CB 3.42Å; T33-T37 PolarHBondContact O-N 3.34Å; T33-T37 PolarHBondContact O-OG1 3Å; Q34-T37 PolarHBondContact O-N 2.95Å; V35-T37 PolarHBondContact O-N 2.82Å; T37-V39 VanDerWaalsContact C-N 3.32Å; T37-V39 PolarHBondContact O-N 3.27Å; T37-N40 PolarHBondContact O-N 3.45Å; T37-T41 HydrophobicContact CG2-CG2 4.44Å; T37-T41 WeakPolarHBondContact O-CB 3.37Å; T37-T41 WeakPolarHBondContact O-CG2 3.45Å; T37-T41 PolarHBondContact O-N 3.29Å; T37-T41 PolarHBondContact O-OG1 3.33Å
38L66.7Low66Low60 Ų6079.7 Ų79.731%0.31448%0.476SS..Hα-helixtrans-64.6-37.4179-132.8147.6000112.2Q34 V35 T36 T41 R120 M123 V124Q34-L38 WeakPolarHBondContact O-CB 3.22Å; Q34-L38 PolarHBondContact O-N 2.98Å; V35-L38 WeakPolarHBondContact O-CB 3.23Å; V35-L38 PolarHBondContact O-N 3.37Å; T36-L38 VanDerWaalsContact C-N 3.35Å; L38-T41 PolarHBondContact O-OG1 2.85Å; L38-R120 PolarHBondContact O-NH2 3.35Å; L38-R120 VanDerWaalsContact O-NH2 3.1Å; L38-M123 HydrophobicContact CD2-CE 3.41Å; L38-M123 VanDerWaalsContact CD2-CE 3.41Å; L38-V124 HydrophobicContact CD2-CG2 3.79Å
39V64.2Low64.4Low25 Ų2587.9 Ų87.915%0.15251%0.512CS..Hα-helixtrans-67.3-55.5171.8172.40000110.8V35 T36 T37 T41 S42 V124V35-V39 WeakPolarHBondContact O-CG2 3.41Å; V35-V39 PolarHBondContact O-N 2.87Å; T36-V39 PolarHBondContact O-N 2.93Å; T37-V39 VanDerWaalsContact C-N 3.32Å; T37-V39 PolarHBondContact O-N 3.27Å; V39-T41 PolarHBondContact O-N 3.2Å; V39-S42 VanDerWaalsContact O-CB 3.26Å; V39-S42 WeakPolarHBondContact O-CB 3.34Å; V39-S42 PolarHBondContact O-N 3.23Å; V39-S42 PolarHBondContact O-OG 3.43Å; V39-V124 HydrophobicContact CG2-CG1 3.55Å
40N63.5Low62.7Low101 Ų10192 Ų9254%0.5453%0.527SS..Hα-helixtrans-66.7-24.8-172.1-71.9-17.4000113.2T36 T37 S42T36-N40 WeakPolarHBondContact O-CB 3.15Å; T36-N40 VanDerWaalsContact O-CG 3.31Å; T36-N40 PolarHBondContact O-N 3.49Å; T36-N40 PolarHBondContact O-ND2 2.63Å; T37-N40 PolarHBondContact O-N 3.45Å; N40-S42 VanDerWaalsContact C-N 3.3Å
41T58.7Low61Low60 Ų6099.1 Ų99.137%0.36855%0.552SS.*THydrogen-bonded Turntrans-79.9-6.9173.451.90000113.3T37 L38 V39 N43 R120T37-T41 HydrophobicContact CG2-CG2 4.44Å; T37-T41 WeakPolarHBondContact O-CB 3.37Å; T37-T41 WeakPolarHBondContact O-CG2 3.45Å; T37-T41 PolarHBondContact O-N 3.29Å; T37-T41 PolarHBondContact O-OG1 3.33Å; L38-T41 PolarHBondContact O-OG1 2.85Å; V39-T41 PolarHBondContact O-N 3.2Å; T41-N43 VanDerWaalsContact C-N 3.3Å; T41-R120 PolarHBondContact O-NH1 3.48Å; T41-R120 PolarHBondContact O-NH2 2.87Å; T41-R120 VanDerWaalsContact O-NH2 3.13Å; T41-R120 PolarHBondContact OG1-NH2 3.32Å
42S51.9Low59.8Low55 Ų5598.1 Ų98.139%0.38556%0.558SS.*G310 helixtrans-66.5-34.6175.773.20000112V39 N40 K44 R120V39-S42 VanDerWaalsContact O-CB 3.26Å; V39-S42 WeakPolarHBondContact O-CB 3.34Å; V39-S42 PolarHBondContact O-N 3.23Å; V39-S42 PolarHBondContact O-OG 3.43Å; N40-S42 VanDerWaalsContact C-N 3.3Å; S42-K44 VanDerWaalsContact C-N 3.33Å; S42-K44 PolarHBondContact O-N 3.12Å; S42-R120 VanDerWaalsContact CA-CZ 3.41Å; S42-R120 VanDerWaalsContact N-NH2 3.13Å
43N51.6Low58.3Low145 Ų145107.5 Ų107.578%0.77559%0.587SS**G310 helixtrans-82.8-10-176.3-67.7-2000113.3T41T41-N43 VanDerWaalsContact C-N 3.3Å
44K51.5Low57.7Low178 Ų178108.7 Ų108.777%0.77460%0.598SS**G310 helixtrans-1057.6-168.9-67.9-168.7177.1-177.10115.5S42S42-K44 VanDerWaalsContact C-N 3.33Å; S42-K44 PolarHBondContact O-N 3.12Å
45G52.3Low57.5Low41 Ų41109.3 Ų109.342%0.42360%0.599SS.*  trans61.3-175.4-174.700000112.8S47G45-S47 PolarHBondContact O-N 3.38Å
46P50.1Low57.8Low133 Ų133116.1 Ų116.186%0.86463%0.627SS**SBendtrans-61.7126.5176.3-17.229.8000110.3G48P46-G48 PolarHBondContact O-N 3.36Å
47S54.5Low58.3Low90 Ų90115 Ų11563%0.62962%0.624SS**  trans-60.8127.7178.3-177.80000111G45 K49G45-S47 PolarHBondContact O-N 3.38Å; S47-K49 PolarHBondContact O-N 3.04Å; S47-K49 VanDerWaalsContact O-N 3.1Å; S47-K49 PolarHBondContact OG-N 3.12Å
48G52.5Low59Low89 Ų89115.7 Ų115.792%0.91862%0.621SS**  trans-72.211.6173.400000115P46P46-G48 PolarHBondContact O-N 3.36Å
49K52.5Low59.8Low177 Ų177116.2 Ų116.277%0.7763%0.627SS**SBendtrans-69.4138.7174.6-72.2-173.2177.4-174.90109.6S47 K51S47-K49 PolarHBondContact O-N 3.04Å; S47-K49 VanDerWaalsContact O-N 3.1Å; S47-K49 PolarHBondContact OG-N 3.12Å; K49-K51 PolarHBondContact O-N 3.3Å
50K46.3Very low60.7Low206 Ų206119.4 Ų119.490%0.89664%0.643SS**  trans-40.9133.6177.3-79.4-179176.6176.30109.8G52K50-G52 PolarHBondContact O-N 2.84Å
51K45.7Very low61.7Low217 Ų217115.3 Ų115.394%0.94362%0.623SS**  trans-58.878.4178-159.2178.6-171.9178.90109.5K49K49-K51 PolarHBondContact O-N 3.3Å
52G52.1Low63Low49 Ų49114.9 Ų114.951%0.50563%0.626SS.*  trans-59.4154.9168.400000108.1K50 S54K50-G52 PolarHBondContact O-N 2.84Å; G52-S54 PolarHBondContact O-N 3.45Å
53R50.1Low64.5Low262 Ų262115.1 Ų115.199%0.98963%0.627SS**  trans-71.164.9176.3-160.4-177.1-172.1-169.92.8109.3
54S61.2Low66.1Low103 Ų103110.8 Ų110.872%0.7261%0.606SS**PPolyproline II helixtrans-58.3140172.2-64.30000108.4G52G52-S54 PolarHBondContact O-N 3.45Å
55K69.7Low67.8Low140 Ų140106.8 Ų106.861%0.60959%0.59SS**PPolyproline II helixtrans-53145170.5-66.5-178.6-179.8-1800108.4A57 V59 L60K55-A57 PolarHBondContact O-N 3.19Å; K55-V59 HydrophobicContact CB-CB 4.28Å; K55-V59 HydrophobicContact CB-CG1 4.18Å; K55-V59 HydrophobicContact CD-CG1 4.07Å; K55-V59 HydrophobicContact CG-CG1 4.49Å; K55-L60 HydrophobicContact CB-CD2 4.05Å; K55-L60 HydrophobicContact CB-CG 4.15Å; K55-L60 HydrophobicContact CD-CD2 4.12Å
56K78.6Confident69.5Low166 Ų166110.8 Ų110.872%0.72260%0.598SS**PPolyproline II helixtrans-54.1142175.9-65.4-176.3177.8-1770108.7H58 V59 L60K56-H58 PolarHBondContact O-N 3.4Å; K56-H58 VanDerWaalsContact O-N 3.16Å; K56-V59 HydrophobicContact CB-CG2 4.04Å; K56-V59 WeakPolarHBondContact O-CA 3.28Å; K56-V59 VanDerWaalsContact O-CB 3.32Å; K56-V59 WeakPolarHBondContact O-CB 3.47Å; K56-V59 PolarHBondContact O-N 3.07Å; K56-L60 PolarHBondContact O-N 2.99Å
57A81Confident71.3Confident40 Ų40107.1 Ų107.133%0.33158%0.578SS.*Hα-helixtrans-52.6-41.1-177.100000112.4K55 V59 L60 A61 A111K55-A57 PolarHBondContact O-N 3.19Å; A57-V59 VanDerWaalsContact C-N 3.3Å; A57-V59 PolarHBondContact O-N 2.97Å; A57-L60 WeakPolarHBondContact O-CB 3.42Å; A57-L60 PolarHBondContact O-N 2.97Å; A57-L60 VanDerWaalsContact O-N 3.1Å; A57-A61 PolarHBondContact O-N 3.29Å; A57-A111 HydrophobicContact CB-CB 3.62Å
58H84.4Confident73Confident92 Ų92103.7 Ų103.743%0.42655%0.554SS.*Hα-helixtrans-61-31.2173.7-59.6-62.9000114.5K56 A62 A111 D112K56-H58 PolarHBondContact O-N 3.4Å; K56-H58 VanDerWaalsContact O-N 3.16Å; H58-A62 VanDerWaalsContact O-CB 3.25Å; H58-A62 WeakPolarHBondContact O-CB 3.4Å; H58-A62 PolarHBondContact O-N 2.8Å; H58-A111 WeakPolarHBondContact ND1-CB 3.36Å; H58-D112 IonicContact CE1-OD1 3.22Å; H58-D112 PolarHBondContact CE1-OD1 2.86Å; H58-D112 IonicContact NE2-OD1 3.17Å
59V84.4Confident74.8Confident72 Ų72103.9 Ų103.944%0.43653%0.531SS..Hα-helixtrans-70.5-35.5175.6175.90000110.7K55 K56 A57 S63K55-V59 HydrophobicContact CB-CB 4.28Å; K55-V59 HydrophobicContact CB-CG1 4.18Å; K55-V59 HydrophobicContact CD-CG1 4.07Å; K55-V59 HydrophobicContact CG-CG1 4.49Å; K56-V59 HydrophobicContact CB-CG2 4.04Å; K56-V59 WeakPolarHBondContact O-CA 3.28Å; K56-V59 VanDerWaalsContact O-CB 3.32Å; K56-V59 WeakPolarHBondContact O-CB 3.47Å; K56-V59 PolarHBondContact O-N 3.07Å; A57-V59 VanDerWaalsContact C-N 3.3Å; A57-V59 PolarHBondContact O-N 2.97Å; V59-S63 WeakPolarHBondContact O-CB 3.47Å; V59-S63 PolarHBondContact O-N 3.36Å
60L83.1Confident76.7Confident92 Ų9299.3 Ų99.348%0.48252%0.515SS..Hα-helixtrans-71.1-44.1174.6-64175.2000111K55 K56 A57 A62 S63 V64K55-L60 HydrophobicContact CB-CD2 4.05Å; K55-L60 HydrophobicContact CB-CG 4.15Å; K55-L60 HydrophobicContact CD-CD2 4.12Å; K56-L60 PolarHBondContact O-N 2.99Å; A57-L60 WeakPolarHBondContact O-CB 3.42Å; A57-L60 PolarHBondContact O-N 2.97Å; A57-L60 VanDerWaalsContact O-N 3.1Å; L60-A62 PolarHBondContact O-N 3.28Å; L60-S63 WeakPolarHBondContact O-CB 3.39Å; L60-S63 PolarHBondContact O-N 3.36Å; L60-S63 VanDerWaalsContact O-N 3.14Å; L60-V64 WeakPolarHBondContact O-CG2 3.36Å; L60-V64 PolarHBondContact O-N 3.41Å
61A84.7Confident78.8Confident15 Ų1592.3 Ų92.312%0.12448%0.484CS..Hα-helixtrans-58.2-47.4175.300000111.4A57 S63 V64 E65A57-A61 PolarHBondContact O-N 3.29Å; A61-S63 VanDerWaalsContact C-N 3.3Å; A61-S63 PolarHBondContact O-N 3.22Å; A61-V64 PolarHBondContact O-N 3.34Å; A61-E65 WeakPolarHBondContact O-CB 3.4Å; A61-E65 PolarHBondContact O-N 3.43Å
62A85Confident81.1Confident51 Ų5182.2 Ų82.242%0.42144%0.441SS..Hα-helixtrans-62.6-34.9175.200000112.7H58 L60 E65 Q66H58-A62 VanDerWaalsContact O-CB 3.25Å; H58-A62 WeakPolarHBondContact O-CB 3.4Å; H58-A62 PolarHBondContact O-N 2.8Å; L60-A62 PolarHBondContact O-N 3.28Å; A62-E65 PolarHBondContact O-N 3.36Å; A62-Q66 WeakPolarHBondContact O-CB 3.5Å; A62-Q66 PolarHBondContact O-N 2.96Å
63S84.1Confident83.1Confident59 Ų5984.7 Ų84.741%0.41344%0.439SS..Hα-helixtrans-68-37.5175.3-173.70000112.5V59 L60 A61 A67V59-S63 WeakPolarHBondContact O-CB 3.47Å; V59-S63 PolarHBondContact O-N 3.36Å; L60-S63 WeakPolarHBondContact O-CB 3.39Å; L60-S63 PolarHBondContact O-N 3.36Å; L60-S63 VanDerWaalsContact O-N 3.14Å; A61-S63 VanDerWaalsContact C-N 3.3Å; A61-S63 PolarHBondContact O-N 3.22Å; S63-A67 WeakPolarHBondContact O-CB 3.45Å; S63-A67 PolarHBondContact O-N 3.09Å
64V84.2Confident85.1Confident55 Ų5578.3 Ų78.333%0.33342%0.419SS..Hα-helixtrans-67-46.7174.5172.60000109.6L60 A61 Q66 A67 T68 M103L60-V64 WeakPolarHBondContact O-CG2 3.36Å; L60-V64 PolarHBondContact O-N 3.41Å; A61-V64 PolarHBondContact O-N 3.34Å; V64-Q66 PolarHBondContact O-N 3.45Å; V64-A67 PolarHBondContact O-N 2.95Å; V64-T68 PolarHBondContact O-N 3.42Å; V64-T68 PolarHBondContact O-OG1 3.03Å; V64-M103 HydrophobicContact CG1-CE 4.48Å; V64-M103 HydrophobicContact CG1-CG 4.22Å
65E87.3Confident86.6Confident94 Ų9473.7 Ų73.744%0.43939%0.388SS..Hα-helixtrans-55.5-49.5175.7-178.7179.9176.600111.6A61 A62 A67 T68 Q69 R104A61-E65 WeakPolarHBondContact O-CB 3.4Å; A61-E65 PolarHBondContact O-N 3.43Å; A62-E65 PolarHBondContact O-N 3.36Å; E65-A67 PolarHBondContact O-N 3.28Å; E65-T68 PolarHBondContact O-N 3.46Å; E65-Q69 WeakPolarHBondContact O-CB 3.43Å; E65-Q69 PolarHBondContact O-N 3.11Å; E65-R104 HydrophobicContact CB-CG 4.36Å; E65-R104 HydrophobicContact CG-CG 4.01Å; E65-R104 VanDerWaalsContact OE1-CD 3.25Å; E65-R104 WeakPolarHBondContact OE1-CD 3.48Å
66Q88.8Confident87.7Confident124 Ų12471 Ų7158%0.57938%0.377SS*.Hα-helixtrans-62.2-41.4177.2-172.5-179.51300112.4A62 V64 Q69 N70A62-Q66 WeakPolarHBondContact O-CB 3.5Å; A62-Q66 PolarHBondContact O-N 2.96Å; V64-Q66 PolarHBondContact O-N 3.45Å; Q66-Q69 PolarHBondContact O-N 3.05Å; Q66-N70 VanDerWaalsContact O-CG 3.24Å; Q66-N70 PolarHBondContact O-N 3.22Å; Q66-N70 PolarHBondContact O-ND2 3.42Å
67A87.7Confident88.4Confident56 Ų5667 Ų6746%0.46336%0.361SS..Hα-helixtrans-66-41.5177.700000111.9S63 V64 E65 Q69 N70 F71S63-A67 WeakPolarHBondContact O-CB 3.45Å; S63-A67 PolarHBondContact O-N 3.09Å; V64-A67 PolarHBondContact O-N 2.95Å; E65-A67 PolarHBondContact O-N 3.28Å; A67-Q69 VanDerWaalsContact C-N 3.34Å; A67-N70 PolarHBondContact O-N 2.95Å; A67-F71 WeakPolarHBondContact O-CB 3.47Å; A67-F71 PolarHBondContact O-N 2.9Å
68T88.9Confident88.7Confident19 Ų1969 Ų6912%0.11737%0.365CS..Hα-helixtrans-63.1-41.3173.9-56.80000110.9V64 E65 F71 L72 L130V64-T68 PolarHBondContact O-N 3.42Å; V64-T68 PolarHBondContact O-OG1 3.03Å; E65-T68 PolarHBondContact O-N 3.46Å; T68-F71 PolarHBondContact O-N 2.83Å; T68-L72 HydrophobicContact CG2-CD1 4.23Å; T68-L72 VanDerWaalsContact O-CG 3.31Å; T68-L72 WeakPolarHBondContact O-CG 3.44Å; T68-L72 PolarHBondContact O-N 2.94Å; T68-L130 HydrophobicContact CG2-CD1 4.32Å
69Q91.5Very high89.1Confident92 Ų9264.7 Ų64.743%0.4335%0.346SS..Hα-helixtrans-63.2-47176.9-173.457.633.900112.1E65 Q66 A67 F71 L72 E73E65-Q69 WeakPolarHBondContact O-CB 3.43Å; E65-Q69 PolarHBondContact O-N 3.11Å; Q66-Q69 PolarHBondContact O-N 3.05Å; A67-Q69 VanDerWaalsContact C-N 3.34Å; Q69-F71 VanDerWaalsContact C-N 3.28Å; Q69-F71 PolarHBondContact O-N 2.86Å; Q69-L72 WeakPolarHBondContact O-CB 3.31Å; Q69-L72 PolarHBondContact O-N 3.33Å; Q69-E73 WeakPolarHBondContact O-CG 3.34Å; Q69-E73 PolarHBondContact O-N 2.77Å
70N91.5Very high89.4Confident81 Ų8169.2 Ų69.243%0.43336%0.359SS..Hα-helixtrans-60.6-38.5175.7-69.1-15.3000112Q66 A67 K74Q66-N70 VanDerWaalsContact O-CG 3.24Å; Q66-N70 PolarHBondContact O-N 3.22Å; Q66-N70 PolarHBondContact O-ND2 3.42Å; A67-N70 PolarHBondContact O-N 2.95Å; N70-K74 WeakPolarHBondContact O-CG 3.46Å; N70-K74 PolarHBondContact O-N 2.96Å
71F91.8Very high89.6Confident59 Ų5971.2 Ų71.226%0.25937%0.366SS..Hα-helixtrans-67-40.3176.6-177.3-100.9000111.8A67 T68 Q69 K74 G75 V96 V134 L137 L138A67-F71 WeakPolarHBondContact O-CB 3.47Å; A67-F71 PolarHBondContact O-N 2.9Å; T68-F71 PolarHBondContact O-N 2.83Å; Q69-F71 VanDerWaalsContact C-N 3.28Å; Q69-F71 PolarHBondContact O-N 2.86Å; F71-K74 PolarHBondContact O-N 3.3Å; F71-G75 PolarHBondContact O-N 3.15Å; F71-V96 HydrophobicContact CD1-CG1 3.98Å; F71-V96 HydrophobicContact CE1-CG1 4.11Å; F71-V96 HydrophobicContact CE1-CG2 4.31Å; F71-V134 HydrophobicContact CD1-CG2 4.24Å; F71-V134 HydrophobicContact CE1-CB 4.24Å; F71-V134 HydrophobicContact CE1-CG1 4.04Å; F71-V134 HydrophobicContact CE1-CG2 3.81Å; F71-V134 HydrophobicContact CE2-CG1 4.25Å; F71-V134 HydrophobicContact CZ-CB 4.37Å; F71-V134 HydrophobicContact CZ-CG1 3.73Å; F71-V134 HydrophobicContact CZ-CG2 4.36Å; F71-L137 HydrophobicContact CE1-CD2 3.63Å; F71-L137 HydrophobicContact CE1-CG 4.45Å; F71-L137 HydrophobicContact CZ-CD2 3.94Å; F71-L137 HydrophobicContact CZ-CG 4.36Å; F71-L138 HydrophobicContact CE2-CD2 4.04Å; F71-L138 HydrophobicContact CE2-CG 4.43Å; F71-L138 HydrophobicContact CZ-CD2 4.25Å; F71-L138 HydrophobicContact CZ-CG 4.27Å
72L93.7Very high89.6Confident5 Ų571.4 Ų71.43%0.02637%0.367CS..Hα-helixtrans-62.1-46173.6-74.2169.1000111.7T68 Q69 K74 G75 E76 V93 V96 R97T68-L72 HydrophobicContact CG2-CD1 4.23Å; T68-L72 VanDerWaalsContact O-CG 3.31Å; T68-L72 WeakPolarHBondContact O-CG 3.44Å; T68-L72 PolarHBondContact O-N 2.94Å; Q69-L72 WeakPolarHBondContact O-CB 3.31Å; Q69-L72 PolarHBondContact O-N 3.33Å; L72-K74 VanDerWaalsContact C-N 3.27Å; L72-K74 PolarHBondContact O-N 3.39Å; L72-G75 PolarHBondContact O-N 3.07Å; L72-G75 VanDerWaalsContact O-N 3.15Å; L72-E76 WeakPolarHBondContact O-CB 3.29Å; L72-E76 VanDerWaalsContact O-CG 3.29Å; L72-E76 WeakPolarHBondContact O-CG 3.38Å; L72-E76 PolarHBondContact O-N 3.49Å; L72-V93 HydrophobicContact CD2-CG1 4.02Å; L72-V93 WeakPolarHBondContact CD2-O 3.48Å; L72-V96 HydrophobicContact CD2-CB 3.96Å; L72-V96 HydrophobicContact CD2-CG1 3.72Å; L72-V96 HydrophobicContact CG-CG1 4.25Å; L72-R97 HydrophobicContact CD1-CB 4.08Å; L72-R97 HydrophobicContact CD1-CG 4.11Å; L72-R97 HydrophobicContact CD2-CB 3.95Å
73E93.3Very high89.6Confident102 Ų10277.7 Ų77.748%0.47739%0.388SS..Hα-helixtrans-56.9-41.9177.3-72.8173-167.600112Q69 Q77Q69-E73 WeakPolarHBondContact O-CG 3.34Å; Q69-E73 PolarHBondContact O-N 2.77Å; E73-Q77 WeakPolarHBondContact O-CB 3.41Å; E73-Q77 PolarHBondContact O-N 2.82Å; E73-Q77 VanDerWaalsContact O-N 3.07Å
74K91.4Very high89.5Confident127 Ų12777.1 Ų77.155%0.55238%0.38SS*.Hα-helixtrans-71-41.5175.5-67.8-63.4177.1-169.40112.7N70 F71 L72 Q77 I78N70-K74 WeakPolarHBondContact O-CG 3.46Å; N70-K74 PolarHBondContact O-N 2.96Å; F71-K74 PolarHBondContact O-N 3.3Å; L72-K74 VanDerWaalsContact C-N 3.27Å; L72-K74 PolarHBondContact O-N 3.39Å; K74-Q77 PolarHBondContact O-N 3.41Å; K74-I78 VanDerWaalsContact O-CG1 3.31Å; K74-I78 WeakPolarHBondContact O-CG1 3.22Å; K74-I78 PolarHBondContact O-N 3.21Å
75G92.5Very high89.6Confident7 Ų775.8 Ų75.87%0.07237%0.371CS..Hα-helixtrans-61-43.8175.300000112.4F71 L72 I78 A79F71-G75 PolarHBondContact O-N 3.15Å; L72-G75 PolarHBondContact O-N 3.07Å; L72-G75 VanDerWaalsContact O-N 3.15Å; G75-I78 PolarHBondContact O-N 2.59Å; G75-A79 VanDerWaalsContact O-CB 3.22Å; G75-A79 WeakPolarHBondContact O-CB 3.49Å; G75-A79 PolarHBondContact O-N 2.64Å
76E94.1Very high89.6Confident82 Ų8276.2 Ų76.238%0.38337%0.371SS..Hα-helixtrans-62.5-43.4174.9-74.1175.8-162.800111.7L72 A79 K80 V93 R97L72-E76 WeakPolarHBondContact O-CB 3.29Å; L72-E76 VanDerWaalsContact O-CG 3.29Å; L72-E76 WeakPolarHBondContact O-CG 3.38Å; L72-E76 PolarHBondContact O-N 3.49Å; E76-A79 PolarHBondContact O-N 3.01Å; E76-K80 VanDerWaalsContact O-CB 3.24Å; E76-K80 WeakPolarHBondContact O-CB 3.43Å; E76-K80 PolarHBondContact O-N 2.85Å; E76-V93 HydrophobicContact CG-CG1 3.67Å; E76-R97 IonicContact OE1-CZ 3.66Å; E76-R97 IonicContact OE1-NH2 2.79Å; E76-R97 PolarHBondContact OE1-NH2 3.32Å
77Q92.6Very high89.7Confident83 Ų8378 Ų7839%0.38838%0.38SS..Hα-helixtrans-59.7-51.3175.8-176.1-178.9-0.300111E73 K74 K80 E81E73-Q77 WeakPolarHBondContact O-CB 3.41Å; E73-Q77 PolarHBondContact O-N 2.82Å; E73-Q77 VanDerWaalsContact O-N 3.07Å; K74-Q77 PolarHBondContact O-N 3.41Å; Q77-K80 PolarHBondContact O-N 3.24Å; Q77-E81 VanDerWaalsContact CG-OE1 3.26Å; Q77-E81 WeakPolarHBondContact CG-OE1 3.5Å; Q77-E81 PolarHBondContact NE2-OE1 2.91Å; Q77-E81 WeakPolarHBondContact O-CB 3.19Å; Q77-E81 WeakPolarHBondContact O-CG 3.38Å; Q77-E81 PolarHBondContact O-N 3.08Å
78I88.7Confident89.8Confident81 Ų8178.9 Ų78.942%0.41537%0.374SS..Hα-helixtrans-61.9-46.6179.5-67.8167000110.5K74 G75 K80 E81 S82K74-I78 VanDerWaalsContact O-CG1 3.31Å; K74-I78 WeakPolarHBondContact O-CG1 3.22Å; K74-I78 PolarHBondContact O-N 3.21Å; G75-I78 PolarHBondContact O-N 2.59Å; I78-K80 VanDerWaalsContact C-N 3.26Å; I78-K80 PolarHBondContact O-N 3.43Å; I78-E81 PolarHBondContact O-N 2.72Å; I78-S82 WeakPolarHBondContact O-CB 3.5Å; I78-S82 PolarHBondContact O-N 2.71Å
79A91Very high90Very high2 Ų278 Ų782%0.01737%0.369CS..Hα-helixtrans-61.4-35.2178.400000112.3G75 E76 L89 V90 V93G75-A79 VanDerWaalsContact O-CB 3.22Å; G75-A79 WeakPolarHBondContact O-CB 3.49Å; G75-A79 PolarHBondContact O-N 2.64Å; E76-A79 PolarHBondContact O-N 3.01Å; A79-L89 HydrophobicContact CB-CB 3.8Å; A79-V90 HydrophobicContact CB-CG2 4.02Å; A79-V93 HydrophobicContact CB-CG2 4.44Å
80K90.6Very high90.1Very high167 Ų16776.6 Ų76.673%0.72637%0.366SS*.Hα-helixtrans-71.3-40.8176.8-175.2-179.6179.1-177.50112.4E76 Q77 I78E76-K80 VanDerWaalsContact O-CB 3.24Å; E76-K80 WeakPolarHBondContact O-CB 3.43Å; E76-K80 PolarHBondContact O-N 2.85Å; Q77-K80 PolarHBondContact O-N 3.24Å; I78-K80 VanDerWaalsContact C-N 3.26Å; I78-K80 PolarHBondContact O-N 3.43Å
81E88.3Confident90.3Very high134 Ų13474.9 Ų74.963%0.62636%0.363SS*.Hα-helixtrans-77.6-21.6179.6-70.3174.1-166.700112.6Q77 I78 Q83Q77-E81 VanDerWaalsContact CG-OE1 3.26Å; Q77-E81 WeakPolarHBondContact CG-OE1 3.5Å; Q77-E81 PolarHBondContact NE2-OE1 2.91Å; Q77-E81 WeakPolarHBondContact O-CB 3.19Å; Q77-E81 WeakPolarHBondContact O-CG 3.38Å; Q77-E81 PolarHBondContact O-N 3.08Å; I78-E81 PolarHBondContact O-N 2.72Å; E81-Q83 PolarHBondContact O-N 2.64Å
82S85.6Confident90.3Very high20 Ų2072.1 Ų72.114%0.1435%0.352CS..  trans-68.5128.3-179.9-156.30000111.8I78 D84I78-S82 WeakPolarHBondContact O-CB 3.5Å; I78-S82 PolarHBondContact O-N 2.71Å; S82-D84 WeakPolarHBondContact CB-O 3.46Å; S82-D84 PolarHBondContact OG-O 2.94Å
83Q84.4Confident90.5Very high183 Ų18372.1 Ų72.186%0.85535%0.351SS*.SBendtrans-83.8-32170.5-64.4-178-7.300110.9E81E81-Q83 PolarHBondContact O-N 2.64Å
84D82.4Confident90.6Very high47 Ų4771.9 Ų71.925%0.25135%0.35SS..SBendtrans-105.1148.9-178-59.1-62000111S82 K86 M147S82-D84 WeakPolarHBondContact CB-O 3.46Å; S82-D84 PolarHBondContact OG-O 2.94Å; D84-K86 PolarHBondContact O-N 3.23Å; D84-M147 HydrophobicContact CB-CB 4.05Å; D84-M147 HydrophobicContact CB-CE 3.67Å; D84-M147 HydrophobicContact CB-SD 3.81Å; D84-M147 WeakPolarHBondContact OD1-CE 3.46Å
85L84.7Confident90.8Very high26 Ų2669 Ų6914%0.13634%0.341CS..SBendtrans52.925.6179.2-58174.9000114.6E87 E88 L89 M143 M147L85-E87 VanDerWaalsContact C-N 3.33Å; L85-E87 PolarHBondContact O-N 2.66Å; L85-E88 VanDerWaalsContact C-OE2 3.25Å; L85-E88 VanDerWaalsContact CA-OE2 3.23Å; L85-E88 WeakPolarHBondContact CA-OE2 3.49Å; L85-E88 HydrophobicContact CB-CB 4.46Å; L85-E88 PolarHBondContact O-N 2.84Å; L85-L89 HydrophobicContact CB-CG 4.47Å; L85-L89 WeakPolarHBondContact O-CB 3.35Å; L85-L89 VanDerWaalsContact O-CG 3.29Å; L85-L89 WeakPolarHBondContact O-CG 3.47Å; L85-L89 PolarHBondContact O-N 2.9Å; L85-M143 HydrophobicContact CD1-CB 3.63Å; L85-M143 HydrophobicContact CD1-CE 4.1Å; L85-M147 HydrophobicContact CD1-SD 3.93Å; L85-M147 HydrophobicContact CD2-SD 4.09Å; L85-M147 HydrophobicContact CG-SD 3.65Å
86K88.7Confident90.9Very high103 Ų10368.7 Ų68.745%0.44834%0.338SS..Hα-helixtrans-59.8-43.7-173.4179.2168.5-175.9169.50111.9D84 V90D84-K86 PolarHBondContact O-N 3.23Å; K86-V90 WeakPolarHBondContact O-CB 3.49Å; K86-V90 WeakPolarHBondContact O-CG2 3.24Å; K86-V90 PolarHBondContact O-N 3.33Å
87E90.4Very high91.1Very high162 Ų16268.5 Ų68.576%0.75733%0.334SS*.Hα-helixtrans-67.2-41.5-179.5-64.1-176178.900111.3L85 V90 A91L85-E87 VanDerWaalsContact C-N 3.33Å; L85-E87 PolarHBondContact O-N 2.66Å; E87-V90 PolarHBondContact O-N 3.18Å; E87-A91 VanDerWaalsContact O-CB 3.32Å; E87-A91 WeakPolarHBondContact O-CB 3.44Å; E87-A91 PolarHBondContact O-N 3.06Å
88E90.6Very high91.3Very high74 Ų7471.1 Ų71.135%0.34634%0.344SS..Hα-helixtrans-67.2-41.5178.1-64.285.7165.600112.2L85 A91 A92 L140L85-E88 VanDerWaalsContact C-OE2 3.25Å; L85-E88 VanDerWaalsContact CA-OE2 3.23Å; L85-E88 WeakPolarHBondContact CA-OE2 3.49Å; L85-E88 HydrophobicContact CB-CB 4.46Å; L85-E88 PolarHBondContact O-N 2.84Å; E88-A91 PolarHBondContact O-N 3.47Å; E88-A92 WeakPolarHBondContact O-CB 3.11Å; E88-A92 PolarHBondContact O-N 3.17Å; E88-L140 HydrophobicContact CB-CD1 4.31Å; E88-L140 HydrophobicContact CB-CD2 4.12Å
89L92.8Very high91.6Very high1 Ų169.4 Ų69.41%0.00533%0.334CS..Hα-helixtrans-64.3-46.8174.9-76169000110.9A79 L85 A91 A92 V93 L137 L140 A144A79-L89 HydrophobicContact CB-CB 3.8Å; L85-L89 HydrophobicContact CB-CG 4.47Å; L85-L89 WeakPolarHBondContact O-CB 3.35Å; L85-L89 VanDerWaalsContact O-CG 3.29Å; L85-L89 WeakPolarHBondContact O-CG 3.47Å; L85-L89 PolarHBondContact O-N 2.9Å; L89-A91 VanDerWaalsContact C-N 3.34Å; L89-A91 PolarHBondContact O-N 3.04Å; L89-A92 PolarHBondContact O-N 2.96Å; L89-V93 VanDerWaalsContact O-CG2 3.29Å; L89-V93 WeakPolarHBondContact O-CG2 3.33Å; L89-V93 PolarHBondContact O-N 3.25Å; L89-L137 HydrophobicContact CD2-CD1 3.81Å; L89-L140 HydrophobicContact CD2-CB 3.66Å; L89-L140 HydrophobicContact CG-CB 4.43Å; L89-A144 HydrophobicContact CD1-CB 4.37Å
90V94.1Very high91.8Very high63 Ų6369.8 Ų69.838%0.38234%0.338SS..Hα-helixtrans-59.3-46.9175.5169.40000110.3A79 K86 E87 A92 V93 E94A79-V90 HydrophobicContact CB-CG2 4.02Å; K86-V90 WeakPolarHBondContact O-CB 3.49Å; K86-V90 WeakPolarHBondContact O-CG2 3.24Å; K86-V90 PolarHBondContact O-N 3.33Å; E87-V90 PolarHBondContact O-N 3.18Å; V90-A92 VanDerWaalsContact C-N 3.33Å; V90-A92 PolarHBondContact O-N 3.06Å; V90-V93 WeakPolarHBondContact O-CB 3.48Å; V90-V93 PolarHBondContact O-N 3.5Å; V90-E94 WeakPolarHBondContact O-CG 3.32Å; V90-E94 PolarHBondContact O-N 3.39Å
91A93.9Very high92Very high44 Ų4465.8 Ų65.836%0.36432%0.322SS..Hα-helixtrans-61.2-40.3177.300000112.5E87 E88 L89 E94 D95E87-A91 VanDerWaalsContact O-CB 3.32Å; E87-A91 WeakPolarHBondContact O-CB 3.44Å; E87-A91 PolarHBondContact O-N 3.06Å; E88-A91 PolarHBondContact O-N 3.47Å; L89-A91 VanDerWaalsContact C-N 3.34Å; L89-A91 PolarHBondContact O-N 3.04Å; A91-E94 PolarHBondContact O-N 3.48Å; A91-D95 PolarHBondContact O-N 3.38Å
92A93.5Very high92.4Very high2 Ų262.4 Ų62.42%0.01731%0.31CS..Hα-helixtrans-67.6-36.2176.200000112.6E88 L89 V90 D95 V96 L137 L140E88-A92 WeakPolarHBondContact O-CB 3.11Å; E88-A92 PolarHBondContact O-N 3.17Å; L89-A92 PolarHBondContact O-N 2.96Å; V90-A92 VanDerWaalsContact C-N 3.33Å; V90-A92 PolarHBondContact O-N 3.06Å; A92-D95 PolarHBondContact O-N 3.22Å; A92-V96 VanDerWaalsContact O-CG2 3.3Å; A92-V96 WeakPolarHBondContact O-CG2 3.44Å; A92-V96 PolarHBondContact O-N 3.4Å; A92-L137 HydrophobicContact CB-CB 4.18Å; A92-L137 HydrophobicContact CB-CD1 4.01Å; A92-L140 HydrophobicContact CB-CD1 3.57Å
93V96.2Very high92.8Very high4 Ų462.2 Ų62.22%0.02431%0.308CS..Hα-helixtrans-63.6-43.8171.8169.90000110.8L72 E76 A79 L89 V90 D95 V96 R97 L137L72-V93 HydrophobicContact CD2-CG1 4.02Å; L72-V93 WeakPolarHBondContact CD2-O 3.48Å; E76-V93 HydrophobicContact CG-CG1 3.67Å; A79-V93 HydrophobicContact CB-CG2 4.44Å; L89-V93 VanDerWaalsContact O-CG2 3.29Å; L89-V93 WeakPolarHBondContact O-CG2 3.33Å; L89-V93 PolarHBondContact O-N 3.25Å; V90-V93 WeakPolarHBondContact O-CB 3.48Å; V90-V93 PolarHBondContact O-N 3.5Å; V93-D95 VanDerWaalsContact C-N 3.33Å; V93-D95 PolarHBondContact O-N 3.21Å; V93-V96 PolarHBondContact O-N 3.4Å; V93-R97 PolarHBondContact O-N 3.31Å; V93-L137 HydrophobicContact CG2-CD1 3.93Å; V93-L137 HydrophobicContact CG2-CD2 3.77Å
94E96.3Very high93.2Very high97 Ų9757.6 Ų57.645%0.45328%0.282SS..Hα-helixtrans-59.8-42.4173.7-67.8-53.212800112.1V90 A91 R97 K98V90-E94 WeakPolarHBondContact O-CG 3.32Å; V90-E94 PolarHBondContact O-N 3.39Å; A91-E94 PolarHBondContact O-N 3.48Å; E94-R97 WeakPolarHBondContact O-CB 3.25Å; E94-R97 PolarHBondContact O-N 3.47Å; E94-R97 IonicContact OE1-CZ 3.4Å; E94-R97 IonicContact OE1-NH1 3.68Å; E94-R97 PolarHBondContact OE1-NH1 2.87Å; E94-R97 IonicContact OE1-NH2 2.63Å; E94-R97 IonicContact OE2-CZ 2.91Å; E94-R97 IonicContact OE2-NH1 3.72Å; E94-R97 PolarHBondContact OE2-NH1 2.88Å; E94-K98 PolarHBondContact O-N 3.18Å
95D95.6Very high93.8Very high68 Ų6858.6 Ų58.636%0.36429%0.287SS..Hα-helixtrans-61.8-45.9175.7-79.2-25.3000111.4A91 A92 V93 R97 K98 Q99 R136A91-D95 PolarHBondContact O-N 3.38Å; A92-D95 PolarHBondContact O-N 3.22Å; V93-D95 VanDerWaalsContact C-N 3.33Å; V93-D95 PolarHBondContact O-N 3.21Å; D95-R97 VanDerWaalsContact C-N 3.29Å; D95-R97 PolarHBondContact O-N 3.24Å; D95-K98 PolarHBondContact O-N 2.92Å; D95-Q99 WeakPolarHBondContact O-CG 3.34Å; D95-Q99 PolarHBondContact O-N 3.22Å; D95-R136 IonicContact OD2-NH1 2.62Å
96V95.7Very high94.2Very high0 Ų057.5 Ų57.50%028%0.282CS..Hα-helixtrans-60.7-39.8175.3174.50000110.7F71 L72 A92 V93 Q99 G100 L130 A133 V134 L137F71-V96 HydrophobicContact CD1-CG1 3.98Å; F71-V96 HydrophobicContact CE1-CG1 4.11Å; F71-V96 HydrophobicContact CE1-CG2 4.31Å; L72-V96 HydrophobicContact CD2-CB 3.96Å; L72-V96 HydrophobicContact CD2-CG1 3.72Å; L72-V96 HydrophobicContact CG-CG1 4.25Å; A92-V96 VanDerWaalsContact O-CG2 3.3Å; A92-V96 WeakPolarHBondContact O-CG2 3.44Å; A92-V96 PolarHBondContact O-N 3.4Å; V93-V96 PolarHBondContact O-N 3.4Å; V96-Q99 PolarHBondContact O-N 3.12Å; V96-G100 WeakPolarHBondContact O-CA 3.46Å; V96-G100 PolarHBondContact O-N 3.31Å; V96-L130 HydrophobicContact CG1-CD1 4.11Å; V96-A133 HydrophobicContact CB-CB 4.48Å; V96-A133 HydrophobicContact CG2-CB 3.73Å; V96-A133 WeakPolarHBondContact CG2-O 3.5Å; V96-V134 HydrophobicContact CG1-CG2 4.27Å; V96-V134 HydrophobicContact CG2-CG2 4.41Å; V96-L137 HydrophobicContact CG2-CB 4.3Å; V96-L137 HydrophobicContact CG2-CD2 4.22Å
97R96.9Very high94.4Very high78 Ų7853 Ų5329%0.29426%0.264SS..Hα-helixtrans-63.3-46.2177.4-171.3-179.3-60.795.6-3.9111.4L72 E76 V93 E94 D95 G100 E101L72-R97 HydrophobicContact CD1-CB 4.08Å; L72-R97 HydrophobicContact CD1-CG 4.11Å; L72-R97 HydrophobicContact CD2-CB 3.95Å; E76-R97 IonicContact OE1-CZ 3.66Å; E76-R97 IonicContact OE1-NH2 2.79Å; E76-R97 PolarHBondContact OE1-NH2 3.32Å; V93-R97 PolarHBondContact O-N 3.31Å; E94-R97 WeakPolarHBondContact O-CB 3.25Å; E94-R97 PolarHBondContact O-N 3.47Å; E94-R97 IonicContact OE1-CZ 3.4Å; E94-R97 IonicContact OE1-NH1 3.68Å; E94-R97 PolarHBondContact OE1-NH1 2.87Å; E94-R97 IonicContact OE1-NH2 2.63Å; E94-R97 IonicContact OE2-CZ 2.91Å; E94-R97 IonicContact OE2-NH1 3.72Å; E94-R97 PolarHBondContact OE2-NH1 2.88Å; D95-R97 VanDerWaalsContact C-N 3.29Å; D95-R97 PolarHBondContact O-N 3.24Å; R97-G100 PolarHBondContact O-N 3.42Å; R97-E101 PolarHBondContact O-N 3.3Å
98K97.4Very high94.4Very high137 Ų13747.5 Ų47.560%0.59624%0.242SC*.Hα-helixtrans-61.9-46.3177.3-179.3-177.4176.4-177.70112.3E94 D95 G100 T102E94-K98 PolarHBondContact O-N 3.18Å; D95-K98 PolarHBondContact O-N 2.92Å; K98-G100 VanDerWaalsContact C-N 3.33Å; K98-T102 PolarHBondContact O-N 3.45Å; K98-T102 VanDerWaalsContact O-N 3.13Å; K98-T102 PolarHBondContact O-OG1 3.41Å
99Q95.8Very high94.5Very high46 Ų4647.9 Ų47.922%0.21524%0.244CC..Hα-helixtrans-69.8-33.2177.1-60.6-48-3800111.8D95 V96 T102 M103 A129 L130 A133D95-Q99 WeakPolarHBondContact O-CG 3.34Å; D95-Q99 PolarHBondContact O-N 3.22Å; V96-Q99 PolarHBondContact O-N 3.12Å; Q99-T102 PolarHBondContact O-N 2.86Å; Q99-M103 WeakPolarHBondContact O-CB 3.31Å; Q99-M103 PolarHBondContact O-N 3.47Å; Q99-A129 HydrophobicContact CG-CB 4.26Å; Q99-A129 VanDerWaalsContact OE1-CB 3.24Å; Q99-L130 HydrophobicContact CB-CB 4.17Å; Q99-L130 HydrophobicContact CB-CD1 4.13Å; Q99-A133 HydrophobicContact CB-CB 4.46Å; Q99-A133 HydrophobicContact CG-CB 4.08Å
100G94.1Very high94.4Very high10 Ų1049.8 Ų49.810%0.10325%0.253CS..Hα-helixtrans-61.1-46.517400000112.1V96 R97 K98 M103 R104V96-G100 WeakPolarHBondContact O-CA 3.46Å; V96-G100 PolarHBondContact O-N 3.31Å; R97-G100 PolarHBondContact O-N 3.42Å; K98-G100 VanDerWaalsContact C-N 3.33Å; G100-M103 PolarHBondContact O-N 2.67Å; G100-R104 WeakPolarHBondContact O-CB 3.43Å; G100-R104 PolarHBondContact O-N 3.09Å
101E95.5Very high94.2Very high83 Ų8347.3 Ų47.339%0.38824%0.239SC..Hα-helixtrans-64.6-41.9176.1179.856.2-160.800111.9R97 M103 R104 I105R97-E101 PolarHBondContact O-N 3.3Å; E101-M103 VanDerWaalsContact C-N 3.29Å; E101-M103 PolarHBondContact O-N 3.44Å; E101-R104 WeakPolarHBondContact O-CB 3.28Å; E101-R104 PolarHBondContact O-N 3.03Å; E101-R104 IonicContact OE1-CZ 3.51Å; E101-R104 IonicContact OE1-NE 2.66Å; E101-R104 PolarHBondContact OE1-NE 3.23Å; E101-R104 IonicContact OE1-NH2 2.72Å; E101-R104 PolarHBondContact OE1-NH2 3.23Å; E101-R104 IonicContact OE2-CZ 3.87Å; E101-R104 IonicContact OE2-NE 2.64Å; E101-R104 PolarHBondContact OE2-NE 2.71Å; E101-R104 IonicContact OE2-NH2 3.57Å; E101-I105 HydrophobicContact CG-CD1 4.32Å; E101-I105 WeakPolarHBondContact O-CG1 3.46Å; E101-I105 PolarHBondContact O-N 3.01Å
102T96.2Very high94.1Very high62 Ų6250.3 Ų50.338%0.3825%0.249SC..Hα-helixtrans-60.4-41.8174.1-55.10000111.2K98 Q99 A106 A126K98-T102 PolarHBondContact O-N 3.45Å; K98-T102 VanDerWaalsContact O-N 3.13Å; K98-T102 PolarHBondContact O-OG1 3.41Å; Q99-T102 PolarHBondContact O-N 2.86Å; T102-A106 VanDerWaalsContact O-CB 3.27Å; T102-A106 WeakPolarHBondContact O-CB 3.23Å; T102-A106 PolarHBondContact O-N 3.14Å; T102-A126 HydrophobicContact CG2-CB 4.09Å
103M94.1Very high93.9Very high17 Ų1753.1 Ų53.18%0.08426%0.264CS..Hα-helixtrans-67.5-38.3176.8-175.958.3-177.700112V64 Q99 G100 E101 S107 M123 A126 A127 L130V64-M103 HydrophobicContact CG1-CE 4.48Å; V64-M103 HydrophobicContact CG1-CG 4.22Å; Q99-M103 WeakPolarHBondContact O-CB 3.31Å; Q99-M103 PolarHBondContact O-N 3.47Å; G100-M103 PolarHBondContact O-N 2.67Å; E101-M103 VanDerWaalsContact C-N 3.29Å; E101-M103 PolarHBondContact O-N 3.44Å; M103-S107 WeakPolarHBondContact CE-OG 3.32Å; M103-S107 WeakPolarHBondContact O-CB 3.21Å; M103-S107 PolarHBondContact O-N 3.45Å; M103-S107 PolarHBondContact O-OG 3.24Å; M103-M123 HydrophobicContact CE-CG 4.03Å; M103-M123 HydrophobicContact SD-CG 4.27Å; M103-A126 HydrophobicContact CB-CB 4.29Å; M103-A126 HydrophobicContact SD-CB 3.89Å; M103-A127 HydrophobicContact CE-CB 3.86Å; M103-A127 HydrophobicContact SD-CB 3.93Å; M103-L130 HydrophobicContact CB-CD2 3.97Å; M103-L130 HydrophobicContact CG-CD2 3.91Å
104R93.4Very high93.3Very high85 Ų8556.5 Ų56.532%0.32129%0.286SS..Hα-helixtrans-60-50.6175.9-170.3-166.968.476.32.8111.2E65 G100 E101 S108E65-R104 HydrophobicContact CB-CG 4.36Å; E65-R104 HydrophobicContact CG-CG 4.01Å; E65-R104 VanDerWaalsContact OE1-CD 3.25Å; E65-R104 WeakPolarHBondContact OE1-CD 3.48Å; G100-R104 WeakPolarHBondContact O-CB 3.43Å; G100-R104 PolarHBondContact O-N 3.09Å; E101-R104 WeakPolarHBondContact O-CB 3.28Å; E101-R104 PolarHBondContact O-N 3.03Å; E101-R104 IonicContact OE1-CZ 3.51Å; E101-R104 IonicContact OE1-NE 2.66Å; E101-R104 PolarHBondContact OE1-NE 3.23Å; E101-R104 IonicContact OE1-NH2 2.72Å; E101-R104 PolarHBondContact OE1-NH2 3.23Å; E101-R104 IonicContact OE2-CZ 3.87Å; E101-R104 IonicContact OE2-NE 2.64Å; E101-R104 PolarHBondContact OE2-NE 2.71Å; E101-R104 IonicContact OE2-NH2 3.57Å; R104-S108 WeakPolarHBondContact O-CB 3.5Å; R104-S108 PolarHBondContact O-N 3.44Å
105I95Very high92.8Very high69 Ų6957.8 Ų57.835%0.35430%0.304SS..Hα-helixtrans-61.8-53177.5-63.6168000110.3E101 S107 S108 E109E101-I105 HydrophobicContact CG-CD1 4.32Å; E101-I105 WeakPolarHBondContact O-CG1 3.46Å; E101-I105 PolarHBondContact O-N 3.01Å; I105-S107 VanDerWaalsContact C-N 3.3Å; I105-S107 PolarHBondContact O-N 3.07Å; I105-S108 PolarHBondContact O-N 3.05Å; I105-S108 VanDerWaalsContact O-N 3.11Å; I105-E109 HydrophobicContact CG2-CG 4.33Å; I105-E109 WeakPolarHBondContact O-CG 3.48Å; I105-E109 PolarHBondContact O-N 3.11Å
106A93.1Very high92.4Very high3 Ų355.9 Ų55.93%0.02530%0.296CS..Hα-helixtrans-62.8-36-176.900000112.8T102 F110 T122 M123 A126T102-A106 VanDerWaalsContact O-CB 3.27Å; T102-A106 WeakPolarHBondContact O-CB 3.23Å; T102-A106 PolarHBondContact O-N 3.14Å; A106-F110 VanDerWaalsContact O-CB 3.32Å; A106-F110 WeakPolarHBondContact O-CB 3.47Å; A106-F110 PolarHBondContact O-N 3.37Å; A106-F110 VanDerWaalsContact O-N 3.09Å; A106-T122 HydrophobicContact CB-CG2 4.08Å; A106-M123 HydrophobicContact CB-CB 4.3Å; A106-A126 HydrophobicContact CB-CB 4.05Å
107S90.9Very high92Very high9 Ų960.5 Ų60.56%0.06333%0.328CS..Hα-helixtrans-70.2-37175.6-59.70000112M103 I105 A111M103-S107 WeakPolarHBondContact CE-OG 3.32Å; M103-S107 WeakPolarHBondContact O-CB 3.21Å; M103-S107 PolarHBondContact O-N 3.45Å; M103-S107 PolarHBondContact O-OG 3.24Å; I105-S107 VanDerWaalsContact C-N 3.3Å; I105-S107 PolarHBondContact O-N 3.07Å; S107-A111 VanDerWaalsContact O-CB 3.26Å; S107-A111 WeakPolarHBondContact O-CB 3.48Å; S107-A111 PolarHBondContact O-N 3.17Å
108S91.5Very high91.8Very high45 Ų4561.7 Ų61.732%0.31534%0.344SS..Hα-helixtrans-67.4-48.5175-169.30000111.5R104 I105 F110 A111 D112R104-S108 WeakPolarHBondContact O-CB 3.5Å; R104-S108 PolarHBondContact O-N 3.44Å; I105-S108 PolarHBondContact O-N 3.05Å; I105-S108 VanDerWaalsContact O-N 3.11Å; S108-F110 VanDerWaalsContact C-N 3.28Å; S108-F110 PolarHBondContact O-N 3.5Å; S108-A111 WeakPolarHBondContact O-CA 3.45Å; S108-A111 WeakPolarHBondContact O-CB 3.35Å; S108-A111 PolarHBondContact O-N 2.62Å; S108-D112 PolarHBondContact O-N 3.18Å
109E93.5Very high91.4Very high82 Ų8257.8 Ų57.838%0.38333%0.327SS..Hα-helixtrans-60.2-39.4178.9-72.5-178.8177.200112.3I105 D112 D113 K119I105-E109 HydrophobicContact CG2-CG 4.33Å; I105-E109 WeakPolarHBondContact O-CG 3.48Å; I105-E109 PolarHBondContact O-N 3.11Å; E109-D112 PolarHBondContact O-N 3.2Å; E109-D113 PolarHBondContact O-N 3.06Å; E109-K119 HydrophobicContact CB-CD 4.47Å; E109-K119 WeakPolarHBondContact O-CD 3.49Å; E109-K119 PolarHBondContact O-NZ 2.83Å; E109-K119 VanDerWaalsContact O-NZ 3.08Å
110F90.7Very high91Very high41 Ų4158 Ų5818%0.1833%0.326CS..Hα-helixtrans-70.1-34.3173.5178-108.4000112.2A106 S108 D112 D113 P114 K119 R120 M123A106-F110 VanDerWaalsContact O-CB 3.32Å; A106-F110 WeakPolarHBondContact O-CB 3.47Å; A106-F110 PolarHBondContact O-N 3.37Å; A106-F110 VanDerWaalsContact O-N 3.09Å; S108-F110 VanDerWaalsContact C-N 3.28Å; S108-F110 PolarHBondContact O-N 3.5Å; F110-D112 VanDerWaalsContact C-N 3.31Å; F110-D113 CarbonylContact O-C 3.58Å; F110-D113 PolarHBondContact O-N 2.87Å; F110-P114 HydrophobicContact CE2-CB 4.43Å; F110-P114 VanDerWaalsContact CE2-O 3.3Å; F110-P114 WeakPolarHBondContact CE2-O 3.45Å; F110-P114 HydrophobicContact CZ-CB 4.32Å; F110-P114 VanDerWaalsContact O-CA 3.25Å; F110-P114 WeakPolarHBondContact O-CA 3.41Å; F110-P114 WeakPolarHBondContact O-CG 3.47Å; F110-K119 HydrophobicContact CB-CB 4.44Å; F110-K119 HydrophobicContact CD2-CB 4.4Å; F110-R120 HydrophobicContact CD2-CB 3.85Å; F110-R120 HydrophobicContact CD2-CG 4.44Å; F110-R120 HydrophobicContact CE2-CB 3.57Å; F110-R120 HydrophobicContact CE2-CG 3.89Å; F110-R120 HydrophobicContact CZ-CB 4.4Å; F110-R120 HydrophobicContact CZ-CG 4.23Å; F110-M123 HydrophobicContact CB-CB 4.41Å; F110-M123 HydrophobicContact CB-SD 4.15Å; F110-M123 HydrophobicContact CD1-CE 3.38Å; F110-M123 HydrophobicContact CD1-SD 3.43Å; F110-M123 WeakPolarHBondContact CD1-SD 3.49Å; F110-M123 HydrophobicContact CD2-CE 4.37Å; F110-M123 HydrophobicContact CE1-CE 3.54Å; F110-M123 HydrophobicContact CE1-SD 4.1Å; F110-M123 HydrophobicContact CG-CE 3.82Å; F110-M123 HydrophobicContact CG-SD 3.95Å; F110-M123 HydrophobicContact CZ-CE 4.12Å
111A88.3Confident90.7Very high11 Ų1158.6 Ų58.69%0.09133%0.332CS..Hα-helixtrans-65.9-34.917400000112.3A57 H58 S107 S108A57-A111 HydrophobicContact CB-CB 3.62Å; H58-A111 WeakPolarHBondContact ND1-CB 3.36Å; S107-A111 VanDerWaalsContact O-CB 3.26Å; S107-A111 WeakPolarHBondContact O-CB 3.48Å; S107-A111 PolarHBondContact O-N 3.17Å; S108-A111 WeakPolarHBondContact O-CA 3.45Å; S108-A111 WeakPolarHBondContact O-CB 3.35Å; S108-A111 PolarHBondContact O-N 2.62Å
112D91.5Very high90.6Very high107 Ų10756.9 Ų56.957%0.57233%0.328SS*.Hα-helixtrans-69.3-33.1174.2-66.5-36.9000112.6H58 S108 E109 F110H58-D112 IonicContact CE1-OD1 3.22Å; H58-D112 PolarHBondContact CE1-OD1 2.86Å; H58-D112 IonicContact NE2-OD1 3.17Å; S108-D112 PolarHBondContact O-N 3.18Å; E109-D112 PolarHBondContact O-N 3.2Å; F110-D112 VanDerWaalsContact C-N 3.31Å
113D90Very high90.4Very high62 Ų6254.5 Ų54.533%0.33231%0.312SS..  trans-139.879.3179.9-178.66.5000112E109 F110 C115 S116 K119E109-D113 PolarHBondContact O-N 3.06Å; F110-D113 CarbonylContact O-C 3.58Å; F110-D113 PolarHBondContact O-N 2.87Å; D113-C115 PolarHBondContact O-N 3.24Å; D113-S116 PolarHBondContact O-N 3.41Å; D113-S116 PolarHBondContact OD1-N 2.92Å; D113-S116 VanDerWaalsContact OD2-CB 3.24Å; D113-S116 WeakPolarHBondContact OD2-CB 3.31Å; D113-K119 HydrophobicContact CB-CD 3.76Å; D113-K119 VanDerWaalsContact CB-NZ 3.29Å; D113-K119 IonicContact OD2-NZ 3.3Å
114P84.7Confident90.2Very high75 Ų7554.4 Ų54.449%0.48731%0.313SS..THydrogen-bonded Turntrans-70.2-14.8-176.1-2133.8000114.3F110F110-P114 HydrophobicContact CE2-CB 4.43Å; F110-P114 VanDerWaalsContact CE2-O 3.3Å; F110-P114 WeakPolarHBondContact CE2-O 3.45Å; F110-P114 HydrophobicContact CZ-CB 4.32Å; F110-P114 VanDerWaalsContact O-CA 3.25Å; F110-P114 WeakPolarHBondContact O-CA 3.41Å; F110-P114 WeakPolarHBondContact O-CG 3.47Å
115C84.5Confident90.1Very high123 Ų12357.6 Ų57.683%0.83133%0.325SS*.THydrogen-bonded Turntrans-85.5-15.3179.8-67.70000112.3D113 S117D113-C115 PolarHBondContact O-N 3.24Å; C115-S117 PolarHBondContact O-N 3.06Å
116S88.2Confident89.9Confident28 Ų2854.6 Ų54.620%0.19631%0.31CS..  trans-73.3111.5177.4175.80000112.1D113 V118 K119 R120D113-S116 PolarHBondContact O-N 3.41Å; D113-S116 PolarHBondContact OD1-N 2.92Å; D113-S116 VanDerWaalsContact OD2-CB 3.24Å; D113-S116 WeakPolarHBondContact OD2-CB 3.31Å; S116-V118 PolarHBondContact O-N 3.34Å; S116-K119 PolarHBondContact O-N 2.87Å; S116-K119 PolarHBondContact OG-N 3.48Å; S116-R120 WeakPolarHBondContact O-CB 3.49Å; S116-R120 PolarHBondContact O-N 2.9Å
117S87.2Confident89.8Confident97 Ų9755 Ų5568%0.67831%0.313SS*.Hα-helixtrans-61.5-33.4172.658.40000112.4C115 G121C115-S117 PolarHBondContact O-N 3.06Å; S117-G121 PolarHBondContact O-N 3.07Å
118V91.3Very high89.8Confident104 Ų10460.8 Ų60.863%0.6333%0.334SS*.Hα-helixtrans-66.3-51.2178.2179.30000110.6S116 R120 G121 T122S116-V118 PolarHBondContact O-N 3.34Å; V118-R120 VanDerWaalsContact C-N 3.34Å; V118-R120 PolarHBondContact O-N 3.44Å; V118-G121 PolarHBondContact O-N 2.97Å; V118-G121 VanDerWaalsContact O-N 3.13Å; V118-T122 PolarHBondContact O-N 3.44Å; V118-T122 PolarHBondContact O-OG1 2.89Å
119K90.6Very high89.8Confident55 Ų5560.2 Ų60.224%0.23933%0.332CS..Hα-helixtrans-62.9-40.7178.2-72.3173.4159.2-1670111.7E109 F110 D113 S116 G121 T122 M123E109-K119 HydrophobicContact CB-CD 4.47Å; E109-K119 WeakPolarHBondContact O-CD 3.49Å; E109-K119 PolarHBondContact O-NZ 2.83Å; E109-K119 VanDerWaalsContact O-NZ 3.08Å; F110-K119 HydrophobicContact CB-CB 4.44Å; F110-K119 HydrophobicContact CD2-CB 4.4Å; D113-K119 HydrophobicContact CB-CD 3.76Å; D113-K119 VanDerWaalsContact CB-NZ 3.29Å; D113-K119 IonicContact OD2-NZ 3.3Å; S116-K119 PolarHBondContact O-N 2.87Å; S116-K119 PolarHBondContact OG-N 3.48Å; K119-G121 VanDerWaalsContact C-N 3.34Å; K119-G121 PolarHBondContact O-N 3.33Å; K119-T122 PolarHBondContact O-N 3.19Å; K119-M123 PolarHBondContact O-N 3.35Å
120R86.4Confident89.8Confident49 Ų4957.1 Ų57.119%0.18532%0.318CS..Hα-helixtrans-57.2-46.2171.7-170.6-179.4178.7169.84.8112.1L38 T41 S42 F110 S116 V118 T122 M123 V124L38-R120 PolarHBondContact O-NH2 3.35Å; L38-R120 VanDerWaalsContact O-NH2 3.1Å; T41-R120 PolarHBondContact O-NH1 3.48Å; T41-R120 PolarHBondContact O-NH2 2.87Å; T41-R120 VanDerWaalsContact O-NH2 3.13Å; T41-R120 PolarHBondContact OG1-NH2 3.32Å; S42-R120 VanDerWaalsContact CA-CZ 3.41Å; S42-R120 VanDerWaalsContact N-NH2 3.13Å; F110-R120 HydrophobicContact CD2-CB 3.85Å; F110-R120 HydrophobicContact CD2-CG 4.44Å; F110-R120 HydrophobicContact CE2-CB 3.57Å; F110-R120 HydrophobicContact CE2-CG 3.89Å; F110-R120 HydrophobicContact CZ-CB 4.4Å; F110-R120 HydrophobicContact CZ-CG 4.23Å; S116-R120 WeakPolarHBondContact O-CB 3.49Å; S116-R120 PolarHBondContact O-N 2.9Å; V118-R120 VanDerWaalsContact C-N 3.34Å; V118-R120 PolarHBondContact O-N 3.44Å; R120-T122 VanDerWaalsContact C-N 3.32Å; R120-T122 PolarHBondContact O-N 2.94Å; R120-M123 HydrophobicContact CG-CE 4.24Å; R120-M123 PolarHBondContact O-N 3.3Å; R120-V124 WeakPolarHBondContact O-CG2 3.46Å; R120-V124 PolarHBondContact O-N 3Å
121G89.3Confident89.8Confident24 Ų2456.7 Ų56.725%0.24732%0.317CS..Hα-helixtrans-60.9-39.5177.400000112.7S117 V118 K119 V124 R125S117-G121 PolarHBondContact O-N 3.07Å; V118-G121 PolarHBondContact O-N 2.97Å; V118-G121 VanDerWaalsContact O-N 3.13Å; K119-G121 VanDerWaalsContact C-N 3.34Å; K119-G121 PolarHBondContact O-N 3.33Å; G121-V124 PolarHBondContact O-N 2.84Å; G121-R125 WeakPolarHBondContact O-CG 3.25Å; G121-R125 PolarHBondContact O-N 3.49Å; G121-R125 VanDerWaalsContact O-N 3.1Å
122T92.4Very high89.9Confident47 Ų4759.1 Ų59.129%0.28833%0.333SS..Hα-helixtrans-63.9-46.6173.9-60.50000111.9A106 V118 K119 R120 V124 R125 A126A106-T122 HydrophobicContact CB-CG2 4.08Å; V118-T122 PolarHBondContact O-N 3.44Å; V118-T122 PolarHBondContact O-OG1 2.89Å; K119-T122 PolarHBondContact O-N 3.19Å; R120-T122 VanDerWaalsContact C-N 3.32Å; R120-T122 PolarHBondContact O-N 2.94Å; T122-V124 PolarHBondContact O-N 2.93Å; T122-R125 PolarHBondContact O-N 3.17Å; T122-R125 PolarHBondContact OG1-NH2 3.24Å; T122-A126 PolarHBondContact O-N 3.47Å
123M91.4Very high89.9Confident12 Ų1254.6 Ų54.66%0.05931%0.311CS..Hα-helixtrans-59.8-42.3175.4-180-169.354.400112.2L38 M103 A106 F110 K119 R120 R125 A126 A127L38-M123 HydrophobicContact CD2-CE 3.41Å; L38-M123 VanDerWaalsContact CD2-CE 3.41Å; M103-M123 HydrophobicContact CE-CG 4.03Å; M103-M123 HydrophobicContact SD-CG 4.27Å; A106-M123 HydrophobicContact CB-CB 4.3Å; F110-M123 HydrophobicContact CB-CB 4.41Å; F110-M123 HydrophobicContact CB-SD 4.15Å; F110-M123 HydrophobicContact CD1-CE 3.38Å; F110-M123 HydrophobicContact CD1-SD 3.43Å; F110-M123 WeakPolarHBondContact CD1-SD 3.49Å; F110-M123 HydrophobicContact CD2-CE 4.37Å; F110-M123 HydrophobicContact CE1-CE 3.54Å; F110-M123 HydrophobicContact CE1-SD 4.1Å; F110-M123 HydrophobicContact CG-CE 3.82Å; F110-M123 HydrophobicContact CG-SD 3.95Å; F110-M123 HydrophobicContact CZ-CE 4.12Å; K119-M123 PolarHBondContact O-N 3.35Å; R120-M123 HydrophobicContact CG-CE 4.24Å; R120-M123 PolarHBondContact O-N 3.3Å; M123-R125 PolarHBondContact O-N 3.04Å; M123-A126 PolarHBondContact O-N 2.88Å; M123-A127 WeakPolarHBondContact O-CB 3.45Å; M123-A127 PolarHBondContact O-N 3.13Å
124V89.7Confident90.1Very high15 Ų1552.4 Ų52.49%0.09130%0.3CS..Hα-helixtrans-63.6-40.7177.6168.80000111.9L38 V39 R120 G121 T122 A127 R128L38-V124 HydrophobicContact CD2-CG2 3.79Å; V39-V124 HydrophobicContact CG2-CG1 3.55Å; R120-V124 WeakPolarHBondContact O-CG2 3.46Å; R120-V124 PolarHBondContact O-N 3Å; G121-V124 PolarHBondContact O-N 2.84Å; T122-V124 PolarHBondContact O-N 2.93Å; V124-A127 PolarHBondContact O-N 2.69Å; V124-R128 WeakPolarHBondContact O-CG 3.5Å; V124-R128 PolarHBondContact O-N 3.36Å; V124-R128 VanDerWaalsContact O-N 3.08Å
125R91.3Very high90.4Very high152 Ų15249.7 Ų49.757%0.57428%0.282SS*.Hα-helixtrans-63.6-44.3174.4-74.4-173.9-66.2-95.8-1.3111.6G121 T122 M123 R128 A129G121-R125 WeakPolarHBondContact O-CG 3.25Å; G121-R125 PolarHBondContact O-N 3.49Å; G121-R125 VanDerWaalsContact O-N 3.1Å; T122-R125 PolarHBondContact O-N 3.17Å; T122-R125 PolarHBondContact OG1-NH2 3.24Å; M123-R125 PolarHBondContact O-N 3.04Å; R125-R128 PolarHBondContact O-N 3.3Å; R125-A129 PolarHBondContact O-N 2.85Å
126A92.4Very high90.7Very high6 Ų647.6 Ų47.65%0.0526%0.257CS..Hα-helixtrans-61.9-42.6176.700000111.9T102 M103 A106 T122 M123 R128 A129 L130T102-A126 HydrophobicContact CG2-CB 4.09Å; M103-A126 HydrophobicContact CB-CB 4.29Å; M103-A126 HydrophobicContact SD-CB 3.89Å; A106-A126 HydrophobicContact CB-CB 4.05Å; T122-A126 PolarHBondContact O-N 3.47Å; M123-A126 PolarHBondContact O-N 2.88Å; A126-R128 PolarHBondContact O-N 2.85Å; A126-A129 PolarHBondContact O-N 3.29Å; A126-L130 WeakPolarHBondContact O-CB 3.29Å; A126-L130 PolarHBondContact O-N 3.37Å
127A90.5Very high90.9Very high10 Ų1046.7 Ų46.78%0.08325%0.249CC..Hα-helixtrans-62.6-41.517700000112.7V35 M103 M123 V124 L130 L131V35-A127 HydrophobicContact CG2-CB 4.32Å; M103-A127 HydrophobicContact CE-CB 3.86Å; M103-A127 HydrophobicContact SD-CB 3.93Å; M123-A127 WeakPolarHBondContact O-CB 3.45Å; M123-A127 PolarHBondContact O-N 3.13Å; V124-A127 PolarHBondContact O-N 2.69Å; A127-L130 PolarHBondContact O-N 2.81Å; A127-L131 WeakPolarHBondContact O-CB 3.33Å; A127-L131 PolarHBondContact O-N 3.3Å
128R89.9Confident91.2Very high131 Ų13143.3 Ų43.349%0.49422%0.223SC..Hα-helixtrans-65-42.1174.7-76178.4175.4162.1-4.1112.3V35 V124 R125 A126 L131 S132V35-R128 HydrophobicContact CG1-CG 3.99Å; V124-R128 WeakPolarHBondContact O-CG 3.5Å; V124-R128 PolarHBondContact O-N 3.36Å; V124-R128 VanDerWaalsContact O-N 3.08Å; R125-R128 PolarHBondContact O-N 3.3Å; A126-R128 PolarHBondContact O-N 2.85Å; R128-L131 PolarHBondContact O-N 3.22Å; R128-S132 WeakPolarHBondContact O-CB 3.29Å; R128-S132 PolarHBondContact O-N 2.9Å
129A92.5Very high91.2Very high34 Ų3438.6 Ų38.628%0.28120%0.195SC..Hα-helixtrans-65.4-41.9178.100000111.4Q99 R125 A126 S132 A133Q99-A129 HydrophobicContact CG-CB 4.26Å; Q99-A129 VanDerWaalsContact OE1-CB 3.24Å; R125-A129 PolarHBondContact O-N 2.85Å; A126-A129 PolarHBondContact O-N 3.29Å; A129-S132 PolarHBondContact O-N 3.46Å; A129-A133 PolarHBondContact O-N 3.3Å
130L92.6Very high91.2Very high17 Ų1736 Ų369%0.08918%0.184CC..Hα-helixtrans-63.1-45.7173.8-179.859.4000111.7T68 V96 Q99 M103 A126 A127 S132 A133 V134T68-L130 HydrophobicContact CG2-CD1 4.32Å; V96-L130 HydrophobicContact CG1-CD1 4.11Å; Q99-L130 HydrophobicContact CB-CB 4.17Å; Q99-L130 HydrophobicContact CB-CD1 4.13Å; M103-L130 HydrophobicContact CB-CD2 3.97Å; M103-L130 HydrophobicContact CG-CD2 3.91Å; A126-L130 WeakPolarHBondContact O-CB 3.29Å; A126-L130 PolarHBondContact O-N 3.37Å; A127-L130 PolarHBondContact O-N 2.81Å; L130-S132 VanDerWaalsContact C-N 3.33Å; L130-S132 PolarHBondContact O-N 2.93Å; L130-A133 PolarHBondContact O-N 3.3Å; L130-V134 HydrophobicContact CD1-CG2 4.11Å; L130-V134 HydrophobicContact CG-CG2 4.38Å; L130-V134 WeakPolarHBondContact O-CB 3.5Å; L130-V134 VanDerWaalsContact O-CG2 3.29Å; L130-V134 WeakPolarHBondContact O-CG2 3.32Å; L130-V134 PolarHBondContact O-N 2.92Å
131L90.6Very high91.4Very high31 Ų3134.8 Ų34.816%0.16218%0.184CC..Hα-helixtrans-58.4-45.1175.9178.759.8000111.5L28 L31 V32 V35 A127 R128 A133 V134 T135L28-L131 HydrophobicContact CD2-CD1 4.09Å; L31-L131 HydrophobicContact CB-CD1 3.84Å; V32-L131 HydrophobicContact CG2-CD1 4.37Å; V32-L131 HydrophobicContact CG2-CD2 4.06Å; V35-L131 HydrophobicContact CB-CD2 4.2Å; V35-L131 HydrophobicContact CG1-CD2 4.34Å; V35-L131 HydrophobicContact CG2-CD2 4.14Å; A127-L131 WeakPolarHBondContact O-CB 3.33Å; A127-L131 PolarHBondContact O-N 3.3Å; R128-L131 PolarHBondContact O-N 3.22Å; L131-A133 PolarHBondContact O-N 3.41Å; L131-V134 PolarHBondContact O-N 2.92Å; L131-T135 WeakPolarHBondContact O-CB 3.33Å; L131-T135 PolarHBondContact O-N 3.21Å; L131-T135 PolarHBondContact O-OG1 3.4Å
132S90.9Very high91.4Very high62 Ų6234 Ų3443%0.43417%0.174SC..Hα-helixtrans-59.7-44.7175.9-172.70000112.3R128 A129 L130 T135 R136R128-S132 WeakPolarHBondContact O-CB 3.29Å; R128-S132 PolarHBondContact O-N 2.9Å; A129-S132 PolarHBondContact O-N 3.46Å; L130-S132 VanDerWaalsContact C-N 3.33Å; L130-S132 PolarHBondContact O-N 2.93Å; S132-T135 PolarHBondContact O-N 2.93Å; S132-R136 WeakPolarHBondContact O-CB 3.23Å; S132-R136 PolarHBondContact O-N 3.36Å
133A92.3Very high91.3Very high12 Ų1231.8 Ų31.810%0.09916%0.16CC..Hα-helixtrans-64.4-42.3177.400000112.3V96 Q99 A129 L130 L131 R136 L137V96-A133 HydrophobicContact CB-CB 4.48Å; V96-A133 HydrophobicContact CG2-CB 3.73Å; V96-A133 WeakPolarHBondContact CG2-O 3.5Å; Q99-A133 HydrophobicContact CB-CB 4.46Å; Q99-A133 HydrophobicContact CG-CB 4.08Å; A129-A133 PolarHBondContact O-N 3.3Å; L130-A133 PolarHBondContact O-N 3.3Å; L131-A133 PolarHBondContact O-N 3.41Å; A133-R136 PolarHBondContact O-N 2.92Å; A133-L137 PolarHBondContact O-N 3.33Å
134V92.5Very high91.2Very high16 Ų1631.7 Ų31.710%0.09716%0.162CC..Hα-helixtrans-63.1-47.9175.9167.90000110.9L28 L31 F71 V96 L130 L131 R136 L137 L138L28-V134 HydrophobicContact CD2-CG1 4.24Å; L31-V134 HydrophobicContact CD1-CG1 4.33Å; F71-V134 HydrophobicContact CD1-CG2 4.24Å; F71-V134 HydrophobicContact CE1-CB 4.24Å; F71-V134 HydrophobicContact CE1-CG1 4.04Å; F71-V134 HydrophobicContact CE1-CG2 3.81Å; F71-V134 HydrophobicContact CE2-CG1 4.25Å; F71-V134 HydrophobicContact CZ-CB 4.37Å; F71-V134 HydrophobicContact CZ-CG1 3.73Å; F71-V134 HydrophobicContact CZ-CG2 4.36Å; V96-V134 HydrophobicContact CG1-CG2 4.27Å; V96-V134 HydrophobicContact CG2-CG2 4.41Å; L130-V134 HydrophobicContact CD1-CG2 4.11Å; L130-V134 HydrophobicContact CG-CG2 4.38Å; L130-V134 WeakPolarHBondContact O-CB 3.5Å; L130-V134 VanDerWaalsContact O-CG2 3.29Å; L130-V134 WeakPolarHBondContact O-CG2 3.32Å; L130-V134 PolarHBondContact O-N 2.92Å; L131-V134 PolarHBondContact O-N 2.92Å; V134-R136 VanDerWaalsContact C-N 3.31Å; V134-R136 PolarHBondContact O-N 3.28Å; V134-L137 PolarHBondContact O-N 3.45Å; V134-L138 HydrophobicContact CG1-CD1 4.21Å; V134-L138 WeakPolarHBondContact O-CG 3.47Å; V134-L138 PolarHBondContact O-N 2.97Å
135T91Very high91.2Very high18 Ų1833.6 Ų33.611%0.1117%0.171CC..Hα-helixtrans-56.6-46.3175.7-62.60000110.9L17 L28 L131 S132 L137 L138 I139L17-T135 HydrophobicContact CD2-CG2 4.28Å; L28-T135 HydrophobicContact CD1-CG2 3.78Å; L28-T135 WeakPolarHBondContact CD2-OG1 3.27Å; L131-T135 WeakPolarHBondContact O-CB 3.33Å; L131-T135 PolarHBondContact O-N 3.21Å; L131-T135 PolarHBondContact O-OG1 3.4Å; S132-T135 PolarHBondContact O-N 2.93Å; T135-L137 PolarHBondContact O-N 2.88Å; T135-L138 PolarHBondContact O-N 3.45Å; T135-I139 HydrophobicContact CG2-CD1 3.82Å; T135-I139 HydrophobicContact CG2-CG1 4.45Å; T135-I139 WeakPolarHBondContact O-CG1 3.35Å; T135-I139 PolarHBondContact O-N 3.32Å
136R91.9Very high91.3Very high80 Ų8026.4 Ų26.430%0.30214%0.144SC..Hα-helixtrans-60.7-44178.2-175174.4-177.6-93.6-13.7112.3L17 D95 S132 A133 V134 I139 L140L17-R136 HydrophobicContact CD2-CB 4.37Å; D95-R136 IonicContact OD2-NH1 2.62Å; S132-R136 WeakPolarHBondContact O-CB 3.23Å; S132-R136 PolarHBondContact O-N 3.36Å; A133-R136 PolarHBondContact O-N 2.92Å; V134-R136 VanDerWaalsContact C-N 3.31Å; V134-R136 PolarHBondContact O-N 3.28Å; R136-I139 PolarHBondContact O-N 3.48Å; R136-L140 HydrophobicContact CG-CD1 4.27Å; R136-L140 WeakPolarHBondContact O-CG 3.48Å; R136-L140 PolarHBondContact O-N 2.88Å
137L92.8Very high91.2Very high8 Ų827 Ų274%0.04215%0.146CC..Hα-helixtrans-63.8-41176.9177.956.4000111.9F71 L89 A92 V93 V96 A133 V134 T135 L140 A141F71-L137 HydrophobicContact CE1-CD2 3.63Å; F71-L137 HydrophobicContact CE1-CG 4.45Å; F71-L137 HydrophobicContact CZ-CD2 3.94Å; F71-L137 HydrophobicContact CZ-CG 4.36Å; L89-L137 HydrophobicContact CD2-CD1 3.81Å; A92-L137 HydrophobicContact CB-CB 4.18Å; A92-L137 HydrophobicContact CB-CD1 4.01Å; V93-L137 HydrophobicContact CG2-CD1 3.93Å; V93-L137 HydrophobicContact CG2-CD2 3.77Å; V96-L137 HydrophobicContact CG2-CB 4.3Å; V96-L137 HydrophobicContact CG2-CD2 4.22Å; A133-L137 PolarHBondContact O-N 3.33Å; V134-L137 PolarHBondContact O-N 3.45Å; T135-L137 PolarHBondContact O-N 2.88Å; L137-L140 PolarHBondContact O-N 3.46Å; L137-A141 PolarHBondContact O-N 3.03Å
138L92.6Very high91.2Very high26 Ų2631.1 Ų31.114%0.13616%0.159CC..Hα-helixtrans-65-39.3176.5-70.9177.9000112.6V24 L27 L28 F71 V134 T135 A141 D142V24-L138 HydrophobicContact CG1-CB 4.01Å; V24-L138 HydrophobicContact CG1-CD1 4.46Å; V24-L138 HydrophobicContact CG2-CB 4.29Å; L27-L138 HydrophobicContact CB-CD1 4.38Å; L27-L138 HydrophobicContact CD1-CD2 4.42Å; L28-L138 HydrophobicContact CD1-CD1 4.43Å; L28-L138 HydrophobicContact CD2-CD1 3.8Å; L28-L138 HydrophobicContact CG-CD1 3.89Å; F71-L138 HydrophobicContact CE2-CD2 4.04Å; F71-L138 HydrophobicContact CE2-CG 4.43Å; F71-L138 HydrophobicContact CZ-CD2 4.25Å; F71-L138 HydrophobicContact CZ-CG 4.27Å; V134-L138 HydrophobicContact CG1-CD1 4.21Å; V134-L138 WeakPolarHBondContact O-CG 3.47Å; V134-L138 PolarHBondContact O-N 2.97Å; T135-L138 PolarHBondContact O-N 3.45Å; L138-A141 PolarHBondContact O-N 2.86Å; L138-D142 PolarHBondContact O-N 3.09Å
139I91Very high91.4Very high6 Ų625 Ų253%0.03114%0.136CC..Hα-helixtrans-64.8-43.7174.8-70172000110.7W12 L17 I19 T135 R136 A141 D142 M143W12-I139 HydrophobicContact CH2-CG2 4.2Å; W12-I139 HydrophobicContact CZ2-CG2 3.76Å; L17-I139 VanDerWaalsContact C-CD1 3.49Å; L17-I139 HydrophobicContact CB-CD1 4.34Å; L17-I139 HydrophobicContact CD2-CD1 4.09Å; I19-I139 HydrophobicContact CG1-CD1 4.5Å; T135-I139 HydrophobicContact CG2-CD1 3.82Å; T135-I139 HydrophobicContact CG2-CG1 4.45Å; T135-I139 WeakPolarHBondContact O-CG1 3.35Å; T135-I139 PolarHBondContact O-N 3.32Å; R136-I139 PolarHBondContact O-N 3.48Å; I139-A141 VanDerWaalsContact C-N 3.3Å; I139-A141 PolarHBondContact O-N 3.37Å; I139-D142 WeakPolarHBondContact O-CB 3.36Å; I139-D142 PolarHBondContact O-N 3.19Å; I139-M143 HydrophobicContact CG2-CG 4.48Å; I139-M143 HydrophobicContact CG2-SD 4.1Å; I139-M143 VanDerWaalsContact O-CG 3.29Å; I139-M143 WeakPolarHBondContact O-CG 3.39Å; I139-M143 PolarHBondContact O-N 3.46Å
140L90.5Very high91.5Very high1 Ų123.9 Ų23.91%0.00513%0.126CC..Hα-helixtrans-63.7-35.4175.9-73.7168.3000112.6P14 E88 L89 A92 R136 L137 M143 A144P14-L140 HydrophobicContact CB-CD2 4.48Å; E88-L140 HydrophobicContact CB-CD1 4.31Å; E88-L140 HydrophobicContact CB-CD2 4.12Å; L89-L140 HydrophobicContact CD2-CB 3.66Å; L89-L140 HydrophobicContact CG-CB 4.43Å; A92-L140 HydrophobicContact CB-CD1 3.57Å; R136-L140 HydrophobicContact CG-CD1 4.27Å; R136-L140 WeakPolarHBondContact O-CG 3.48Å; R136-L140 PolarHBondContact O-N 2.88Å; L137-L140 PolarHBondContact O-N 3.46Å; L140-M143 HydrophobicContact CD2-SD 4.03Å; L140-M143 WeakPolarHBondContact O-CB 3.48Å; L140-M143 PolarHBondContact O-N 3.27Å; L140-A144 PolarHBondContact O-N 3.44Å
141A90.5Very high91.6Very high22 Ų2225.1 Ų25.118%0.18214%0.136CC..Hα-helixtrans-65.4-42.5173.300000111.6L137 L138 I139 M143 A144 D145L137-A141 PolarHBondContact O-N 3.03Å; L138-A141 PolarHBondContact O-N 2.86Å; I139-A141 VanDerWaalsContact C-N 3.3Å; I139-A141 PolarHBondContact O-N 3.37Å; A141-M143 VanDerWaalsContact C-N 3.33Å; A141-M143 PolarHBondContact O-N 3.14Å; A141-A144 WeakPolarHBondContact O-CB 3.36Å; A141-A144 PolarHBondContact O-N 3.27Å; A141-D145 PolarHBondContact O-N 3.41Å
142D90.8Very high91.8Very high9 Ų925.7 Ų25.75%0.04814%0.138CC..Hα-helixtrans-60-43.1173.1-168.175.9000111.8W12 T21 V24 L138 I139 A144 D145 V146 R193W12-D142 HydrophobicContact CH2-CB 4.2Å; W12-D142 VanDerWaalsContact CH2-OD2 3.23Å; W12-D142 WeakPolarHBondContact CH2-OD2 3.42Å; W12-D142 VanDerWaalsContact CZ3-OD2 3.29Å; W12-D142 WeakPolarHBondContact CZ3-OD2 3.39Å; T21-D142 WeakPolarHBondContact CG2-OD1 3.3Å; T21-D142 PolarHBondContact OG1-OD1 2.89Å; V24-D142 HydrophobicContact CG2-CB 4.46Å; L138-D142 PolarHBondContact O-N 3.09Å; I139-D142 WeakPolarHBondContact O-CB 3.36Å; I139-D142 PolarHBondContact O-N 3.19Å; D142-A144 VanDerWaalsContact C-N 3.34Å; D142-A144 PolarHBondContact O-N 3.11Å; D142-D145 WeakPolarHBondContact O-CB 3.12Å; D142-D145 PolarHBondContact O-N 3.15Å; D142-V146 WeakPolarHBondContact O-CG2 3.49Å; D142-V146 PolarHBondContact O-N 2.97Å; D142-R193 IonicContact OD1-CZ 3.78Å; D142-R193 IonicContact OD1-NH1 3.05Å; D142-R193 PolarHBondContact OD1-NH1 3.17Å; D142-R193 IonicContact OD1-NH2 3.1Å; D142-R193 IonicContact OD2-CZ 3.72Å; D142-R193 IonicContact OD2-NH1 2.81Å; D142-R193 PolarHBondContact OD2-NH1 2.94Å; D142-R193 VanDerWaalsContact OD2-NH1 3.1Å; D142-R193 IonicContact OD2-NH2 2.69Å; D142-R193 PolarHBondContact OD2-NH2 3.08Å
143M89.4Confident92.1Very high0 Ų022.9 Ų22.90%012%0.118CC..Hα-helixtrans-60.9-40.8175-72.6172.765.400112.4L10 W12 P14 L85 I139 L140 A141 D145 V146 M147L10-M143 HydrophobicContact CD2-CB 4.48Å; L10-M143 HydrophobicContact CD2-CE 3.31Å; L10-M143 HydrophobicContact CD2-CG 4.5Å; W12-M143 HydrophobicContact CD2-CG 3.75Å; W12-M143 HydrophobicContact CD2-SD 4.37Å; W12-M143 HydrophobicContact CE3-CB 4.31Å; W12-M143 HydrophobicContact CE3-CG 3.36Å; W12-M143 HydrophobicContact CH2-CG 3.58Å; W12-M143 HydrophobicContact CZ2-CG 3.97Å; W12-M143 HydrophobicContact CZ3-CB 4.12Å; W12-M143 HydrophobicContact CZ3-CG 3.26Å; P14-M143 VanDerWaalsContact CA-CE 3.44Å; P14-M143 HydrophobicContact CB-CE 3.52Å; P14-M143 HydrophobicContact CB-SD 4.28Å; P14-M143 HydrophobicContact CG-CE 4.43Å; L85-M143 HydrophobicContact CD1-CB 3.63Å; L85-M143 HydrophobicContact CD1-CE 4.1Å; I139-M143 HydrophobicContact CG2-CG 4.48Å; I139-M143 HydrophobicContact CG2-SD 4.1Å; I139-M143 VanDerWaalsContact O-CG 3.29Å; I139-M143 WeakPolarHBondContact O-CG 3.39Å; I139-M143 PolarHBondContact O-N 3.46Å; L140-M143 HydrophobicContact CD2-SD 4.03Å; L140-M143 WeakPolarHBondContact O-CB 3.48Å; L140-M143 PolarHBondContact O-N 3.27Å; A141-M143 VanDerWaalsContact C-N 3.33Å; A141-M143 PolarHBondContact O-N 3.14Å; M143-D145 VanDerWaalsContact C-N 3.31Å; M143-D145 PolarHBondContact O-N 3.49Å; M143-V146 WeakPolarHBondContact O-CB 3.37Å; M143-V146 PolarHBondContact O-N 2.96Å; M143-M147 WeakPolarHBondContact O-CG 3.48Å; M143-M147 PolarHBondContact O-N 3.21Å
144A89.5Confident92.2Very high10 Ų1024.3 Ų24.38%0.08312%0.122CC..Hα-helixtrans-63.9-38.1175.200000111.5L89 L140 A141 D142 M147 R148L89-A144 HydrophobicContact CD1-CB 4.37Å; L140-A144 PolarHBondContact O-N 3.44Å; A141-A144 WeakPolarHBondContact O-CB 3.36Å; A141-A144 PolarHBondContact O-N 3.27Å; D142-A144 VanDerWaalsContact C-N 3.34Å; D142-A144 PolarHBondContact O-N 3.11Å; A144-M147 PolarHBondContact O-N 3.42Å; A144-R148 PolarHBondContact O-N 3.28Å
145D90.4Very high92.4Very high55 Ų5526.5 Ų26.529%0.29413%0.132SC..Hα-helixtrans-64.8-38.4173.5-76.7-26.3000112.4A141 D142 M143 R148 L149A141-D145 PolarHBondContact O-N 3.41Å; D142-D145 WeakPolarHBondContact O-CB 3.12Å; D142-D145 PolarHBondContact O-N 3.15Å; M143-D145 VanDerWaalsContact C-N 3.31Å; M143-D145 PolarHBondContact O-N 3.49Å; D145-R148 PolarHBondContact O-N 3.49Å; D145-R148 IonicContact OD1-CZ 3.95Å; D145-R148 IonicContact OD1-NH1 2.64Å; D145-R148 PolarHBondContact OD1-NH1 2.83Å; D145-R148 VanDerWaalsContact OD1-NH1 3.17Å; D145-R148 IonicContact OD1-NH2 3.77Å; D145-R148 PolarHBondContact OD1-NH2 2.8Å; D145-L149 PolarHBondContact O-N 3.47Å
146V91.8Very high92.7Very high0 Ų025.7 Ų25.70%013%0.127CC..Hα-helixtrans-63.6-46171.61740000110.7L10 W12 D142 M143 R148 L149 L150 R193 Q259L10-V146 HydrophobicContact CD1-CG1 3.97Å; W12-V146 HydrophobicContact CZ3-CG2 4.22Å; D142-V146 WeakPolarHBondContact O-CG2 3.49Å; D142-V146 PolarHBondContact O-N 2.97Å; M143-V146 WeakPolarHBondContact O-CB 3.37Å; M143-V146 PolarHBondContact O-N 2.96Å; V146-R148 VanDerWaalsContact C-N 3.29Å; V146-R148 PolarHBondContact O-N 3.44Å; V146-L149 WeakPolarHBondContact O-CA 3.33Å; V146-L149 WeakPolarHBondContact O-CB 3.13Å; V146-L149 PolarHBondContact O-N 3.4Å; V146-L150 HydrophobicContact CG1-CD1 4.16Å; V146-L150 HydrophobicContact CG1-CG 4.29Å; V146-L150 WeakPolarHBondContact O-CG 3.45Å; V146-L150 PolarHBondContact O-N 3.4Å; V146-R193 VanDerWaalsContact CG2-CZ 3.4Å; V146-Q259 HydrophobicContact CG1-CG 3.95Å
147M90.8Very high92.9Very high20 Ų2026.2 Ų26.210%0.09913%0.133CC..Hα-helixtrans-60.2-39.2177.1-74.6-169.968.300112.3L10 D84 L85 M143 A144 L149 L150 S151L10-M147 HydrophobicContact CD1-CG 4.21Å; D84-M147 HydrophobicContact CB-CB 4.05Å; D84-M147 HydrophobicContact CB-CE 3.67Å; D84-M147 HydrophobicContact CB-SD 3.81Å; D84-M147 WeakPolarHBondContact OD1-CE 3.46Å; L85-M147 HydrophobicContact CD1-SD 3.93Å; L85-M147 HydrophobicContact CD2-SD 4.09Å; L85-M147 HydrophobicContact CG-SD 3.65Å; M143-M147 WeakPolarHBondContact O-CG 3.48Å; M143-M147 PolarHBondContact O-N 3.21Å; A144-M147 PolarHBondContact O-N 3.42Å; M147-L149 PolarHBondContact O-N 2.92Å; M147-L150 PolarHBondContact O-N 3.47Å; M147-S151 WeakPolarHBondContact O-CB 3.32Å; M147-S151 PolarHBondContact O-N 3.18Å
148R91.2Very high93.1Very high95 Ų9530.4 Ų30.436%0.35815%0.153SC..Hα-helixtrans-62.3-41.3172.9-172.4177.463.4-131.5-19.2112A144 D145 V146 S151 H152A144-R148 PolarHBondContact O-N 3.28Å; D145-R148 PolarHBondContact O-N 3.49Å; D145-R148 IonicContact OD1-CZ 3.95Å; D145-R148 IonicContact OD1-NH1 2.64Å; D145-R148 PolarHBondContact OD1-NH1 2.83Å; D145-R148 VanDerWaalsContact OD1-NH1 3.17Å; D145-R148 IonicContact OD1-NH2 3.77Å; D145-R148 PolarHBondContact OD1-NH2 2.8Å; V146-R148 VanDerWaalsContact C-N 3.29Å; V146-R148 PolarHBondContact O-N 3.44Å; R148-S151 WeakPolarHBondContact O-CB 3.42Å; R148-S151 PolarHBondContact O-N 3.02Å; R148-H152 PolarHBondContact O-CD2 2.96Å; R148-H152 PolarHBondContact O-N 3.28Å
149L94.4Very high93.3Very high2 Ų230 Ų301%0.0115%0.153CC..Hα-helixtrans-62.8-43.6173.817458.1000111.6D145 V146 M147 S151 H152 L153 L186 V189 A190 R193 M206 I254 A258D145-L149 PolarHBondContact O-N 3.47Å; V146-L149 WeakPolarHBondContact O-CA 3.33Å; V146-L149 WeakPolarHBondContact O-CB 3.13Å; V146-L149 PolarHBondContact O-N 3.4Å; M147-L149 PolarHBondContact O-N 2.92Å; L149-S151 VanDerWaalsContact C-N 3.29Å; L149-S151 PolarHBondContact O-N 3.33Å; L149-H152 PolarHBondContact O-N 2.81Å; L149-L153 HydrophobicContact CG-CD1 4.34Å; L149-L153 WeakPolarHBondContact O-CG 3.35Å; L149-L153 PolarHBondContact O-N 3.39Å; L149-L186 HydrophobicContact CD1-CD1 3.69Å; L149-V189 HydrophobicContact CB-CG1 4Å; L149-V189 HydrophobicContact CD1-CB 4.25Å; L149-V189 HydrophobicContact CD1-CG1 3.96Å; L149-A190 HydrophobicContact CD1-CB 4.12Å; L149-R193 HydrophobicContact CD2-CB 3.95Å; L149-R193 HydrophobicContact CD2-CG 3.93Å; L149-M206 HydrophobicContact CD2-CE 4.28Å; L149-I254 HydrophobicContact CD1-CG2 4.46Å; L149-I254 HydrophobicContact CD2-CG2 4.5Å; L149-A258 HydrophobicContact CD2-CB 3.57Å; L149-A258 HydrophobicContact CG-CB 4.5Å
150L94.5Very high93.6Very high12 Ų1229.9 Ų29.96%0.06315%0.152CC..Hα-helixtrans-62.4-35.9175.6-63.9176.9000112.2I8 L10 V146 M147 L153 K154 S255 Q259I8-L150 HydrophobicContact CG2-CB 3.84Å; I8-L150 HydrophobicContact CG2-CD1 3.92Å; L10-L150 HydrophobicContact CD1-CD1 4.02Å; V146-L150 HydrophobicContact CG1-CD1 4.16Å; V146-L150 HydrophobicContact CG1-CG 4.29Å; V146-L150 WeakPolarHBondContact O-CG 3.45Å; V146-L150 PolarHBondContact O-N 3.4Å; M147-L150 PolarHBondContact O-N 3.47Å; L150-L153 HydrophobicContact CD2-CD1 3.98Å; L150-L153 WeakPolarHBondContact O-CB 3.32Å; L150-L153 PolarHBondContact O-N 3.12Å; L150-K154 PolarHBondContact O-N 3.45Å; L150-S255 WeakPolarHBondContact CD2-OG 3.32Å; L150-Q259 HydrophobicContact CD1-CG 4.19Å; L150-Q259 HydrophobicContact CD2-CG 4.28Å
151S94.1Very high93.9Very high43 Ų4333.3 Ų33.330%0.30117%0.168SC..Hα-helixtrans-63.3-44.9173.2-175.10000111.7M147 R148 L149 L153 K154 I155M147-S151 WeakPolarHBondContact O-CB 3.32Å; M147-S151 PolarHBondContact O-N 3.18Å; R148-S151 WeakPolarHBondContact O-CB 3.42Å; R148-S151 PolarHBondContact O-N 3.02Å; L149-S151 VanDerWaalsContact C-N 3.29Å; L149-S151 PolarHBondContact O-N 3.33Å; S151-L153 PolarHBondContact O-N 2.87Å; S151-K154 PolarHBondContact O-N 3.36Å; S151-I155 WeakPolarHBondContact O-CG1 3.42Å; S151-I155 PolarHBondContact O-N 3.11Å
152H95.6Very high94.2Very high42 Ų4233.8 Ų33.819%0.19417%0.172CC..Hα-helixtrans-61.8-40.2172.8-76.9-64.9000113R148 L149 K154 I155 V156 L186R148-H152 PolarHBondContact O-CD2 2.96Å; R148-H152 PolarHBondContact O-N 3.28Å; L149-H152 PolarHBondContact O-N 2.81Å; H152-K154 VanDerWaalsContact C-N 3.35Å; H152-I155 PolarHBondContact O-N 2.89Å; H152-V156 WeakPolarHBondContact O-CG2 3.31Å; H152-V156 PolarHBondContact O-N 3.16Å; H152-L186 HydrophobicContact CB-CD1 4.16Å
153L96.2Very high94.5Very high4 Ų433.5 Ų33.52%0.02117%0.171CC..Hα-helixtrans-59.3-46.9175-76.3163.1000111L149 L150 S151 I155 V156 E157 L186 I251 I254L149-L153 HydrophobicContact CG-CD1 4.34Å; L149-L153 WeakPolarHBondContact O-CG 3.35Å; L149-L153 PolarHBondContact O-N 3.39Å; L150-L153 HydrophobicContact CD2-CD1 3.98Å; L150-L153 WeakPolarHBondContact O-CB 3.32Å; L150-L153 PolarHBondContact O-N 3.12Å; S151-L153 PolarHBondContact O-N 2.87Å; L153-I155 PolarHBondContact O-N 3.44Å; L153-V156 CarbonylContact O-C 3.59Å; L153-V156 WeakPolarHBondContact O-CB 3.34Å; L153-V156 PolarHBondContact O-N 3.21Å; L153-V156 VanDerWaalsContact O-N 3.11Å; L153-E157 WeakPolarHBondContact O-CG 3.35Å; L153-E157 PolarHBondContact O-N 3.45Å; L153-L186 HydrophobicContact CD2-CD1 3.62Å; L153-L186 HydrophobicContact CD2-CD2 3.72Å; L153-L186 HydrophobicContact CD2-CG 4.3Å; L153-L186 HydrophobicContact CG-CD1 3.71Å; L153-I251 HydrophobicContact CB-CG2 4.26Å; L153-I251 HydrophobicContact CD2-CB 4.4Å; L153-I251 HydrophobicContact CD2-CG2 3.67Å; L153-I254 HydrophobicContact CD1-CB 4.45Å; L153-I254 HydrophobicContact CD1-CG2 4.06Å; L153-I254 HydrophobicContact CD2-CB 3.96Å; L153-I254 HydrophobicContact CD2-CG2 3.96Å; L153-I254 HydrophobicContact CG-CG2 4.45Å
154K95.6Very high94.8Very high42 Ų4236.7 Ų36.718%0.18319%0.185CC..Hα-helixtrans-60.8-41.8177.7-175176.6178.1-179.70112.9T5 S6 I8 L150 S151 H152 V156 E157 E158T5-K154 VanDerWaalsContact CB-NZ 3.33Å; S6-K154 PolarHBondContact O-NZ 2.85Å; I8-K154 HydrophobicContact CG1-CD 4.34Å; L150-K154 PolarHBondContact O-N 3.45Å; S151-K154 PolarHBondContact O-N 3.36Å; H152-K154 VanDerWaalsContact C-N 3.35Å; K154-V156 VanDerWaalsContact C-N 3.28Å; K154-V156 PolarHBondContact O-N 3.07Å; K154-E157 WeakPolarHBondContact O-CB 3.49Å; K154-E157 PolarHBondContact O-N 3.4Å; K154-E158 WeakPolarHBondContact CE-OE1 3.4Å; K154-E158 WeakPolarHBondContact O-CG 3.44Å; K154-E158 PolarHBondContact O-N 3.43Å
155I96.6Very high95.1Very high62 Ų6240.3 Ų40.332%0.31820%0.203SC..Hα-helixtrans-60.5-41.3174.9-67.6165.9000110.6S151 H152 L153 E158 A159 E182S151-I155 WeakPolarHBondContact O-CG1 3.42Å; S151-I155 PolarHBondContact O-N 3.11Å; H152-I155 PolarHBondContact O-N 2.89Å; L153-I155 PolarHBondContact O-N 3.44Å; I155-E158 PolarHBondContact O-N 3.48Å; I155-A159 WeakPolarHBondContact O-CB 3.38Å; I155-A159 PolarHBondContact O-N 3.06Å; I155-E182 HydrophobicContact CG2-CB 4.2Å; I155-E182 HydrophobicContact CG2-CG 3.73Å
156V96.9Very high95.3Very high1 Ų138.3 Ų38.31%0.00619%0.194CC..Hα-helixtrans-67.6-38.3176.4171.30000111.7H152 L153 K154 A159 L160 F179 E182 M183 L186 I251H152-V156 WeakPolarHBondContact O-CG2 3.31Å; H152-V156 PolarHBondContact O-N 3.16Å; L153-V156 CarbonylContact O-C 3.59Å; L153-V156 WeakPolarHBondContact O-CB 3.34Å; L153-V156 PolarHBondContact O-N 3.21Å; L153-V156 VanDerWaalsContact O-N 3.11Å; K154-V156 VanDerWaalsContact C-N 3.28Å; K154-V156 PolarHBondContact O-N 3.07Å; V156-A159 PolarHBondContact O-N 3.31Å; V156-L160 VanDerWaalsContact O-CB 3.28Å; V156-L160 WeakPolarHBondContact O-CB 3.38Å; V156-L160 PolarHBondContact O-N 3.27Å; V156-F179 HydrophobicContact CG1-CD2 4.37Å; V156-F179 HydrophobicContact CG1-CE2 3.77Å; V156-E182 HydrophobicContact CG2-CB 3.8Å; V156-M183 HydrophobicContact CG1-CG 4.26Å; V156-M183 HydrophobicContact CG1-SD 3.59Å; V156-M183 VanDerWaalsContact CG1-SD 3.59Å; V156-L186 HydrophobicContact CB-CD2 4.06Å; V156-L186 HydrophobicContact CG1-CD2 4.06Å; V156-L186 HydrophobicContact CG2-CB 3.85Å; V156-L186 HydrophobicContact CG2-CD2 3.79Å; V156-L186 HydrophobicContact CG2-CG 4.42Å; V156-I251 HydrophobicContact CG1-CD1 3.89Å; V156-I251 HydrophobicContact CG1-CG1 4.45Å
157E96.5Very high95.5Very high91 Ų9143.2 Ų43.243%0.42522%0.224SC..Hα-helixtrans-61.3-44.6173.4-71.1177.7151.700112L153 K154 L160 E161 I251L153-E157 WeakPolarHBondContact O-CG 3.35Å; L153-E157 PolarHBondContact O-N 3.45Å; K154-E157 WeakPolarHBondContact O-CB 3.49Å; K154-E157 PolarHBondContact O-N 3.4Å; E157-L160 WeakPolarHBondContact O-CB 3.4Å; E157-L160 PolarHBondContact O-N 3.34Å; E157-E161 WeakPolarHBondContact O-CB 3.25Å; E157-E161 PolarHBondContact O-N 3.3Å; E157-I251 HydrophobicContact CG-CD1 3.83Å; E157-I251 HydrophobicContact CG-CG2 3.6Å; E157-I251 WeakPolarHBondContact OE1-CG2 3.11Å
158E97.3Very high95.7Very high96 Ų9646 Ų4645%0.44924%0.239SC..Hα-helixtrans-63.2-43176.5-71.4173.9-172.700111.2K154 I155 E161 A162K154-E158 WeakPolarHBondContact CE-OE1 3.4Å; K154-E158 WeakPolarHBondContact O-CG 3.44Å; K154-E158 PolarHBondContact O-N 3.43Å; I155-E158 PolarHBondContact O-N 3.48Å; E158-E161 PolarHBondContact O-N 2.85Å; E158-A162 PolarHBondContact O-N 2.95Å
159A96.7Very high95.8Very high17 Ų1744.7 Ų44.714%0.1424%0.237CC..Hα-helixtrans-65.3-38.417500000112.3I155 V156 A162 V163 F179I155-A159 WeakPolarHBondContact O-CB 3.38Å; I155-A159 PolarHBondContact O-N 3.06Å; V156-A159 PolarHBondContact O-N 3.31Å; A159-A162 WeakPolarHBondContact O-CB 3.35Å; A159-A162 PolarHBondContact O-N 3.01Å; A159-V163 WeakPolarHBondContact O-CG2 3.43Å; A159-V163 PolarHBondContact O-N 3.29Å; A159-F179 HydrophobicContact CB-CB 4.23Å; A159-F179 HydrophobicContact CB-CD2 4.14Å
160L97.2Very high95.9Very high3 Ų350.5 Ų50.52%0.01626%0.264CS..Hα-helixtrans-62.8-47.1174.8179.265.3000111.1V156 E157 A162 V163 K164 F179 L220 F244 V247 Q248 I251V156-L160 VanDerWaalsContact O-CB 3.28Å; V156-L160 WeakPolarHBondContact O-CB 3.38Å; V156-L160 PolarHBondContact O-N 3.27Å; E157-L160 WeakPolarHBondContact O-CB 3.4Å; E157-L160 PolarHBondContact O-N 3.34Å; L160-A162 PolarHBondContact O-N 3.34Å; L160-V163 WeakPolarHBondContact O-CB 3.32Å; L160-V163 PolarHBondContact O-N 3.23Å; L160-K164 PolarHBondContact O-N 3.02Å; L160-F179 HydrophobicContact CB-CD2 4.23Å; L160-F179 HydrophobicContact CB-CE2 3.95Å; L160-F179 HydrophobicContact CD1-CE2 4.03Å; L160-F179 HydrophobicContact CD1-CZ 4.25Å; L160-L220 HydrophobicContact CD1-CD1 4.31Å; L160-L220 HydrophobicContact CD1-CD2 3.5Å; L160-F244 HydrophobicContact CD1-CD1 3.63Å; L160-F244 HydrophobicContact CD1-CE1 3.5Å; L160-F244 HydrophobicContact CD2-CD1 4.45Å; L160-F244 HydrophobicContact CG-CD1 3.88Å; L160-F244 HydrophobicContact CG-CE1 3.94Å; L160-F244 WeakPolarHBondContact O-CE1 3.44Å; L160-V247 HydrophobicContact CD1-CB 4.27Å; L160-V247 HydrophobicContact CD1-CG1 3.84Å; L160-V247 HydrophobicContact CD2-CB 4.03Å; L160-V247 HydrophobicContact CD2-CG1 3.58Å; L160-V247 HydrophobicContact CG-CG1 4.33Å; L160-Q248 HydrophobicContact CD2-CG 3.78Å; L160-I251 HydrophobicContact CD2-CD1 4.02Å
161E96.8Very high96Very high73 Ų7351.4 Ų51.434%0.34127%0.269SS..Hα-helixtrans-63.7-33.4176.8-170.156.7-146.200111.1E157 E158 K164 N165E157-E161 WeakPolarHBondContact O-CB 3.25Å; E157-E161 PolarHBondContact O-N 3.3Å; E158-E161 PolarHBondContact O-N 2.85Å; E161-K164 WeakPolarHBondContact O-CB 3.34Å; E161-K164 PolarHBondContact O-N 3.5Å; E161-N165 WeakPolarHBondContact O-CB 3.42Å; E161-N165 PolarHBondContact O-N 3.17Å; E161-N165 VanDerWaalsContact O-N 3.09Å; E161-N165 PolarHBondContact O-ND2 2.98Å; E161-N165 PolarHBondContact OE1-ND2 3.47Å
162A97Very high96.2Very high33 Ų3349.3 Ų49.327%0.27326%0.255SS..Hα-helixtrans-62.5-45.1170.400000111.5E158 A159 L160 K164 N165 A166 R175E158-A162 PolarHBondContact O-N 2.95Å; A159-A162 WeakPolarHBondContact O-CB 3.35Å; A159-A162 PolarHBondContact O-N 3.01Å; L160-A162 PolarHBondContact O-N 3.34Å; A162-K164 VanDerWaalsContact C-N 3.31Å; A162-K164 PolarHBondContact O-N 2.96Å; A162-N165 CarbonylContact O-C 3.59Å; A162-N165 PolarHBondContact O-N 3.25Å; A162-A166 PolarHBondContact O-N 3.43Å; A162-R175 VanDerWaalsContact C-CD 3.5Å; A162-R175 WeakPolarHBondContact O-CD 3.29Å; A162-R175 PolarHBondContact O-NH1 3.38Å
163V96.8Very high96.2Very high2 Ų248.8 Ų48.81%0.01226%0.257CS..Hα-helixtrans-58.2-42.7174.8174.80000111.1A159 L160 N165 A166 L172 R175 F176 F179 L220 F244A159-V163 WeakPolarHBondContact O-CG2 3.43Å; A159-V163 PolarHBondContact O-N 3.29Å; L160-V163 WeakPolarHBondContact O-CB 3.32Å; L160-V163 PolarHBondContact O-N 3.23Å; V163-N165 VanDerWaalsContact C-N 3.28Å; V163-N165 PolarHBondContact O-N 3.38Å; V163-A166 VanDerWaalsContact O-CB 3.27Å; V163-A166 WeakPolarHBondContact O-CB 3.38Å; V163-A166 PolarHBondContact O-N 3.06Å; V163-L172 HydrophobicContact CG1-CD1 3.7Å; V163-R175 HydrophobicContact CG2-CB 4.14Å; V163-F176 HydrophobicContact CG1-CD2 4.25Å; V163-F176 HydrophobicContact CG2-CB 4.47Å; V163-F176 HydrophobicContact CG2-CD2 4.43Å; V163-F179 HydrophobicContact CG2-CB 3.78Å; V163-F179 HydrophobicContact CG2-CG 4.23Å; V163-L220 HydrophobicContact CG1-CD2 4.32Å; V163-L220 HydrophobicContact CG1-CG 4.39Å; V163-F244 HydrophobicContact CB-CZ 4.41Å; V163-F244 HydrophobicContact CG1-CE1 4.5Å; V163-F244 HydrophobicContact CG1-CZ 4.03Å
164K94.9Very high96.3Very high67 Ų6752.4 Ų52.429%0.29128%0.277SS..Hα-helixtrans-59.4-39.4177.6-165.9177.5174-175.60113.2L160 E161 A162 A166 F244L160-K164 PolarHBondContact O-N 3.02Å; E161-K164 WeakPolarHBondContact O-CB 3.34Å; E161-K164 PolarHBondContact O-N 3.5Å; A162-K164 VanDerWaalsContact C-N 3.31Å; A162-K164 PolarHBondContact O-N 2.96Å; K164-A166 VanDerWaalsContact C-N 3.3Å; K164-F244 HydrophobicContact CB-CD1 4.03Å; K164-F244 HydrophobicContact CB-CE1 3.4Å; K164-F244 VanDerWaalsContact CB-CE1 3.4Å; K164-F244 HydrophobicContact CB-CE2 3.99Å; K164-F244 HydrophobicContact CB-CZ 3.41Å; K164-F244 VanDerWaalsContact CB-CZ 3.41Å; K164-F244 HydrophobicContact CD-CD1 4.23Å; K164-F244 HydrophobicContact CD-CE1 4.42Å; K164-F244 HydrophobicContact CD-CG 4.33Å; K164-F244 HydrophobicContact CG-CD1 4.21Å; K164-F244 HydrophobicContact CG-CD2 4.11Å; K164-F244 HydrophobicContact CG-CE1 3.98Å; K164-F244 HydrophobicContact CG-CE2 3.89Å; K164-F244 HydrophobicContact CG-CG 4.3Å; K164-F244 HydrophobicContact CG-CZ 3.85Å; K164-F244 VanDerWaalsContact N-CZ 3.31Å
165N95.2Very high96.4Very high87 Ų8753.3 Ų53.347%0.46528%0.279SS..THydrogen-bonded Turntrans-91.915.2-177.9-65.5-49.6000113E161 A162 V163 R175E161-N165 WeakPolarHBondContact O-CB 3.42Å; E161-N165 PolarHBondContact O-N 3.17Å; E161-N165 VanDerWaalsContact O-N 3.09Å; E161-N165 PolarHBondContact O-ND2 2.98Å; E161-N165 PolarHBondContact OE1-ND2 3.47Å; A162-N165 CarbonylContact O-C 3.59Å; A162-N165 PolarHBondContact O-N 3.25Å; V163-N165 VanDerWaalsContact C-N 3.28Å; V163-N165 PolarHBondContact O-N 3.38Å; N165-R175 PolarHBondContact O-NH1 2.85Å
166A96.4Very high96.4Very high12 Ų1252.4 Ų52.410%0.09927%0.273CS..  trans-60.3140.717100000109.9A162 V163 K164 D171 L172 L228A162-A166 PolarHBondContact O-N 3.43Å; V163-A166 VanDerWaalsContact O-CB 3.27Å; V163-A166 WeakPolarHBondContact O-CB 3.38Å; V163-A166 PolarHBondContact O-N 3.06Å; K164-A166 VanDerWaalsContact C-N 3.3Å; A166-D171 WeakPolarHBondContact CA-OD2 3.47Å; A166-L172 HydrophobicContact CB-CB 3.86Å; A166-L172 HydrophobicContact CB-CD1 4.07Å; A166-L228 HydrophobicContact CB-CD1 4.36Å; A166-L228 WeakPolarHBondContact O-CD2 3.31Å
167T94.5Very high96.4Very high104 Ų10459 Ų5964%0.63830%0.302SS*.  trans-101.8-22.2-173.3560000113.7D171T167-D171 PolarHBondContact N-OD2 3.37Å; T167-D171 PolarHBondContact OG1-OD2 3.1Å
168N95.7Very high96.4Very high78 Ų7860.2 Ų60.242%0.41731%0.307SS..SBendtrans-155.5169.3-178.763.376.9000110.2Q170 D171 L172N168-Q170 VanDerWaalsContact C-N 3.35Å; N168-Q170 PolarHBondContact O-N 3.39Å; N168-Q170 WeakPolarHBondContact OD1-CB 3.4Å; N168-Q170 PolarHBondContact OD1-N 3.25Å; N168-Q170 VanDerWaalsContact OD1-N 3.14Å; N168-D171 WeakPolarHBondContact O-CB 3.47Å; N168-D171 PolarHBondContact O-N 2.99Å; N168-D171 PolarHBondContact OD1-N 3.26Å; N168-L172 WeakPolarHBondContact O-CB 3.49Å; N168-L172 PolarHBondContact O-N 2.91Å
169E94.1Very high96.4Very high67 Ų6755.7 Ų55.731%0.31329%0.286SS..Hα-helixtrans-62.2-36.8-174.2-65-179.3-167.800113.7L172 A173 Q225 R229E169-L172 PolarHBondContact O-N 2.97Å; E169-A173 WeakPolarHBondContact O-CB 3.35Å; E169-A173 PolarHBondContact O-N 3.48Å; E169-Q225 HydrophobicContact CG-CG 4.26Å; E169-R229 WeakPolarHBondContact OE1-CD 3.44Å; E169-R229 IonicContact OE1-NH1 3.48Å
170Q95.4Very high96.4Very high125 Ų12556.2 Ų56.258%0.58429%0.293SS*.Hα-helixtrans-69.9-41.5178.5-17561.749.700111.3N168 A173 N174N168-Q170 VanDerWaalsContact C-N 3.35Å; N168-Q170 PolarHBondContact O-N 3.39Å; N168-Q170 WeakPolarHBondContact OD1-CB 3.4Å; N168-Q170 PolarHBondContact OD1-N 3.25Å; N168-Q170 VanDerWaalsContact OD1-N 3.14Å; Q170-A173 PolarHBondContact O-N 3.44Å; Q170-N174 PolarHBondContact NE2-OD1 2.93Å; Q170-N174 VanDerWaalsContact O-CG 3.24Å; Q170-N174 PolarHBondContact O-N 2.85Å; Q170-N174 PolarHBondContact O-ND2 3.45Å
171D97.4Very high96.4Very high30 Ų3061.8 Ų61.816%0.1632%0.317CS..Hα-helixtrans-61.6-45.1172.8-175.129.4000110.7A166 T167 N168 A173 N174 R175A166-D171 WeakPolarHBondContact CA-OD2 3.47Å; T167-D171 PolarHBondContact N-OD2 3.37Å; T167-D171 PolarHBondContact OG1-OD2 3.1Å; N168-D171 WeakPolarHBondContact O-CB 3.47Å; N168-D171 PolarHBondContact O-N 2.99Å; N168-D171 PolarHBondContact OD1-N 3.26Å; D171-A173 PolarHBondContact O-N 3.01Å; D171-N174 PolarHBondContact O-N 2.81Å; D171-R175 WeakPolarHBondContact O-CG 3.29Å; D171-R175 PolarHBondContact O-N 2.94Å; D171-R175 IonicContact OD1-CZ 3.82Å; D171-R175 IonicContact OD1-NE 3.9Å; D171-R175 PolarHBondContact OD1-NE 3.4Å; D171-R175 IonicContact OD1-NH2 2.77Å; D171-R175 PolarHBondContact OD1-NH2 2.91Å; D171-R175 IonicContact OD2-CZ 3.98Å; D171-R175 IonicContact OD2-NE 2.69Å; D171-R175 PolarHBondContact OD2-NE 3.14Å; D171-R175 IonicContact OD2-NH2 3.09Å; D171-R175 PolarHBondContact OD2-NH2 3.2Å
172L97.6Very high96.4Very high0 Ų060 Ų600%031%0.309CS..Hα-helixtrans-57.4-49174.1176.364.3000111.5V163 A166 N168 E169 N174 R175 F176 Y221 Q225 L228V163-L172 HydrophobicContact CG1-CD1 3.7Å; A166-L172 HydrophobicContact CB-CB 3.86Å; A166-L172 HydrophobicContact CB-CD1 4.07Å; N168-L172 WeakPolarHBondContact O-CB 3.49Å; N168-L172 PolarHBondContact O-N 2.91Å; E169-L172 PolarHBondContact O-N 2.97Å; L172-N174 VanDerWaalsContact C-N 3.31Å; L172-N174 PolarHBondContact O-N 3.49Å; L172-R175 PolarHBondContact O-N 3.2Å; L172-F176 WeakPolarHBondContact O-CB 3.38Å; L172-F176 PolarHBondContact O-N 3.03Å; L172-Y221 HydrophobicContact CD2-CD2 4.41Å; L172-Y221 HydrophobicContact CD2-CE2 4.26Å; L172-Y221 HydrophobicContact CG-CD2 4.34Å; L172-Y221 HydrophobicContact CG-CE2 4.13Å; L172-Q225 HydrophobicContact CD2-CB 3.88Å; L172-Q225 HydrophobicContact CD2-CG 4.43Å; L172-L228 HydrophobicContact CB-CD1 3.74Å; L172-L228 HydrophobicContact CD2-CD1 3.81Å; L172-L228 HydrophobicContact CG-CD1 4.28Å
173A96.6Very high96.3Very high30 Ų3059.6 Ų59.625%0.24830%0.302CS..Hα-helixtrans-59.8-41.4179.400000112.1E169 Q170 D171 K177E169-A173 WeakPolarHBondContact O-CB 3.35Å; E169-A173 PolarHBondContact O-N 3.48Å; Q170-A173 PolarHBondContact O-N 3.44Å; D171-A173 PolarHBondContact O-N 3.01Å; A173-K177 WeakPolarHBondContact O-CB 3.45Å; A173-K177 PolarHBondContact O-N 3.31Å
174N97.5Very high96.3Very high81 Ų8164.5 Ų64.543%0.43333%0.331SS..Hα-helixtrans-65.7-50.1177.2-69.7-20.4000111.7Q170 D171 L172 F176 K177 E178Q170-N174 PolarHBondContact NE2-OD1 2.93Å; Q170-N174 VanDerWaalsContact O-CG 3.24Å; Q170-N174 PolarHBondContact O-N 2.85Å; Q170-N174 PolarHBondContact O-ND2 3.45Å; D171-N174 PolarHBondContact O-N 2.81Å; L172-N174 VanDerWaalsContact C-N 3.31Å; L172-N174 PolarHBondContact O-N 3.49Å; N174-F176 PolarHBondContact O-N 2.99Å; N174-K177 WeakPolarHBondContact O-CB 3.3Å; N174-K177 PolarHBondContact O-N 3.35Å; N174-E178 PolarHBondContact O-N 3.22Å; N174-E178 VanDerWaalsContact O-N 3.15Å
175R97.5Very high96.3Very high60 Ų6066.1 Ų66.123%0.22634%0.338CS..Hα-helixtrans-66.1-38179.7-65.6-173.8-166-164.76.3112.3A162 V163 N165 D171 L172 K177 E178 F179A162-R175 VanDerWaalsContact C-CD 3.5Å; A162-R175 WeakPolarHBondContact O-CD 3.29Å; A162-R175 PolarHBondContact O-NH1 3.38Å; V163-R175 HydrophobicContact CG2-CB 4.14Å; N165-R175 PolarHBondContact O-NH1 2.85Å; D171-R175 WeakPolarHBondContact O-CG 3.29Å; D171-R175 PolarHBondContact O-N 2.94Å; D171-R175 IonicContact OD1-CZ 3.82Å; D171-R175 IonicContact OD1-NE 3.9Å; D171-R175 PolarHBondContact OD1-NE 3.4Å; D171-R175 IonicContact OD1-NH2 2.77Å; D171-R175 PolarHBondContact OD1-NH2 2.91Å; D171-R175 IonicContact OD2-CZ 3.98Å; D171-R175 IonicContact OD2-NE 2.69Å; D171-R175 PolarHBondContact OD2-NE 3.14Å; D171-R175 IonicContact OD2-NH2 3.09Å; D171-R175 PolarHBondContact OD2-NH2 3.2Å; L172-R175 PolarHBondContact O-N 3.2Å; R175-K177 VanDerWaalsContact C-N 3.32Å; R175-K177 PolarHBondContact O-N 3.28Å; R175-E178 WeakPolarHBondContact O-CB 3.41Å; R175-E178 PolarHBondContact O-N 2.95Å; R175-F179 WeakPolarHBondContact O-CB 3.44Å; R175-F179 PolarHBondContact O-N 3.02Å
176F97.3Very high96.4Very high43 Ų4362 Ų6219%0.18932%0.316CS..Hα-helixtrans-67.7-34.7176.9-169-97.4000111.8V163 L172 N174 E178 F179 G180 A217 L220 Y221V163-F176 HydrophobicContact CG1-CD2 4.25Å; V163-F176 HydrophobicContact CG2-CB 4.47Å; V163-F176 HydrophobicContact CG2-CD2 4.43Å; L172-F176 WeakPolarHBondContact O-CB 3.38Å; L172-F176 PolarHBondContact O-N 3.03Å; N174-F176 PolarHBondContact O-N 2.99Å; F176-E178 VanDerWaalsContact C-N 3.33Å; F176-F179 HydrophobicContact CD2-CD1 4.15Å; F176-F179 HydrophobicContact CE2-CD1 4Å; F176-F179 HydrophobicContact CE2-CE1 4.31Å; F176-F179 PolarHBondContact O-N 3.45Å; F176-G180 PolarHBondContact O-N 3.47Å; F176-A217 WeakPolarHBondContact CE2-O 3.29Å; F176-A217 VanDerWaalsContact CZ-O 3.24Å; F176-A217 WeakPolarHBondContact CZ-O 3.44Å; F176-L220 HydrophobicContact CE2-CB 4.4Å; F176-L220 HydrophobicContact CE2-CD2 4.17Å; F176-L220 HydrophobicContact CE2-CG 4.4Å; F176-Y221 HydrophobicContact CB-CD2 3.9Å; F176-Y221 HydrophobicContact CB-CE2 4.24Å; F176-Y221 AromaticContact CD1-CD2 3.6Å; F176-Y221 HydrophobicContact CD1-CD2 3.6Å; F176-Y221 HydrophobicContact CD1-CE2 4.26Å; F176-Y221 HydrophobicContact CD1-CG 4.21Å; F176-Y221 AromaticContact CD2-CD2 3.95Å; F176-Y221 HydrophobicContact CD2-CD2 3.95Å; F176-Y221 HydrophobicContact CE1-CD2 4.09Å; F176-Y221 HydrophobicContact CE1-CG 4.24Å; F176-Y221 HydrophobicContact CE2-CD2 4.4Å; F176-Y221 AromaticContact CG-CD2 3.53Å; F176-Y221 HydrophobicContact CG-CD2 3.53Å; F176-Y221 HydrophobicContact CG-CE2 4.27Å; F176-Y221 HydrophobicContact CG-CG 4.37Å; F176-Y221 HydrophobicContact CZ-CD2 4.47Å; F176-Y221 HydrophobicContact CZ-CG 4.43Å
177K97.1Very high96.4Very high141 Ų14165 Ų6561%0.61333%0.331SS*.Hα-helixtrans-63.6-38.1171.6-176179.6-176.7176.90112A173 N174 R175 K181A173-K177 WeakPolarHBondContact O-CB 3.45Å; A173-K177 PolarHBondContact O-N 3.31Å; N174-K177 WeakPolarHBondContact O-CB 3.3Å; N174-K177 PolarHBondContact O-N 3.35Å; R175-K177 VanDerWaalsContact C-N 3.32Å; R175-K177 PolarHBondContact O-N 3.28Å; K177-K181 WeakPolarHBondContact O-CG 3.47Å; K177-K181 PolarHBondContact O-N 2.97Å
178E96.5Very high96.5Very high115 Ų11567.5 Ų67.554%0.53733%0.329SS..Hα-helixtrans-68-49173.9-69.7178.3174.400111.5N174 R175 F176 G180 K181 E182N174-E178 PolarHBondContact O-N 3.22Å; N174-E178 VanDerWaalsContact O-N 3.15Å; R175-E178 WeakPolarHBondContact O-CB 3.41Å; R175-E178 PolarHBondContact O-N 2.95Å; F176-E178 VanDerWaalsContact C-N 3.33Å; E178-G180 VanDerWaalsContact C-N 3.28Å; E178-G180 PolarHBondContact O-N 3.4Å; E178-K181 WeakPolarHBondContact O-CB 3.44Å; E178-K181 PolarHBondContact O-N 3.2Å; E178-E182 PolarHBondContact O-N 2.86Å; E178-E182 VanDerWaalsContact O-N 3.12Å
179F97.1Very high96.4Very high2 Ų264.4 Ų64.41%0.00931%0.314CS..Hα-helixtrans-52-46.2172.8173-103.7000111.9V156 A159 L160 V163 R175 F176 K181 E182 M183 L220 V247V156-F179 HydrophobicContact CG1-CD2 4.37Å; V156-F179 HydrophobicContact CG1-CE2 3.77Å; A159-F179 HydrophobicContact CB-CB 4.23Å; A159-F179 HydrophobicContact CB-CD2 4.14Å; L160-F179 HydrophobicContact CB-CD2 4.23Å; L160-F179 HydrophobicContact CB-CE2 3.95Å; L160-F179 HydrophobicContact CD1-CE2 4.03Å; L160-F179 HydrophobicContact CD1-CZ 4.25Å; V163-F179 HydrophobicContact CG2-CB 3.78Å; V163-F179 HydrophobicContact CG2-CG 4.23Å; R175-F179 WeakPolarHBondContact O-CB 3.44Å; R175-F179 PolarHBondContact O-N 3.02Å; F176-F179 HydrophobicContact CD2-CD1 4.15Å; F176-F179 HydrophobicContact CE2-CD1 4Å; F176-F179 HydrophobicContact CE2-CE1 4.31Å; F176-F179 PolarHBondContact O-N 3.45Å; F179-K181 VanDerWaalsContact C-N 3.33Å; F179-K181 PolarHBondContact O-N 3.41Å; F179-E182 PolarHBondContact O-N 3.24Å; F179-M183 HydrophobicContact CD1-CG 4.04Å; F179-M183 HydrophobicContact CD2-CG 4.11Å; F179-M183 HydrophobicContact CE1-CG 3.65Å; F179-M183 HydrophobicContact CE1-SD 4.34Å; F179-M183 HydrophobicContact CE2-CG 3.72Å; F179-M183 HydrophobicContact CE2-SD 3.96Å; F179-M183 HydrophobicContact CG-CG 4.26Å; F179-M183 HydrophobicContact CZ-CE 4.27Å; F179-M183 HydrophobicContact CZ-CG 3.47Å; F179-M183 VanDerWaalsContact CZ-CG 3.47Å; F179-M183 HydrophobicContact CZ-SD 3.66Å; F179-M183 WeakPolarHBondContact O-CB 3.44Å; F179-M183 VanDerWaalsContact O-CG 3.23Å; F179-M183 WeakPolarHBondContact O-CG 3.46Å; F179-M183 PolarHBondContact O-N 3.18Å; F179-L220 HydrophobicContact CD1-CD2 4.43Å; F179-L220 HydrophobicContact CE1-CD2 3.9Å; F179-L220 HydrophobicContact CZ-CD2 4.13Å; F179-V247 HydrophobicContact CZ-CG1 4.24Å
180G95.9Very high96.6Very high28 Ų2861.2 Ų61.229%0.28930%0.299SS..Hα-helixtrans-59.6-38.517700000113.7F176 E178 V184F176-G180 PolarHBondContact O-N 3.47Å; E178-G180 VanDerWaalsContact C-N 3.28Å; E178-G180 PolarHBondContact O-N 3.4Å; G180-V184 WeakPolarHBondContact O-CG2 3.41Å; G180-V184 PolarHBondContact O-N 2.88Å; G180-V184 VanDerWaalsContact O-N 3.12Å
181K97.1Very high96.6Very high119 Ų11956.2 Ų56.252%0.51728%0.278SS..Hα-helixtrans-65.5-44.7175.7-70.4171.2-177.2177.10111.7K177 E178 F179 V184 K185K177-K181 WeakPolarHBondContact O-CG 3.47Å; K177-K181 PolarHBondContact O-N 2.97Å; E178-K181 WeakPolarHBondContact O-CB 3.44Å; E178-K181 PolarHBondContact O-N 3.2Å; F179-K181 VanDerWaalsContact C-N 3.33Å; F179-K181 PolarHBondContact O-N 3.41Å; K181-V184 PolarHBondContact O-N 2.95Å; K181-K185 PolarHBondContact O-N 3.01Å
182E96.8Very high96.5Very high37 Ų3758.6 Ų58.617%0.17329%0.285CS..Hα-helixtrans-69.3-36.4179.5-60.2-5013000111.5I155 V156 E178 F179 V184 K185 L186I155-E182 HydrophobicContact CG2-CB 4.2Å; I155-E182 HydrophobicContact CG2-CG 3.73Å; V156-E182 HydrophobicContact CG2-CB 3.8Å; E178-E182 PolarHBondContact O-N 2.86Å; E178-E182 VanDerWaalsContact O-N 3.12Å; F179-E182 PolarHBondContact O-N 3.24Å; E182-V184 VanDerWaalsContact C-N 3.34Å; E182-V184 PolarHBondContact O-N 3.38Å; E182-K185 VanDerWaalsContact CD-NZ 3.31Å; E182-K185 PolarHBondContact O-N 3.36Å; E182-K185 IonicContact OE1-NZ 2.78Å; E182-K185 PolarHBondContact OE1-NZ 3.24Å; E182-K185 WeakPolarHBondContact OE2-CD 3.34Å; E182-K185 IonicContact OE2-NZ 3.34Å; E182-K185 PolarHBondContact OE2-NZ 2.99Å; E182-K185 VanDerWaalsContact OE2-NZ 3.09Å; E182-L186 WeakPolarHBondContact O-CB 3.27Å; E182-L186 PolarHBondContact O-N 2.95Å
183M95.7Very high96.4Very high24 Ų2459 Ų5912%0.11829%0.287CS..Hα-helixtrans-59.3-40.3172.6-78.7-71.1-69.400113V156 F179 L186 N187 L213V156-M183 HydrophobicContact CG1-CG 4.26Å; V156-M183 HydrophobicContact CG1-SD 3.59Å; V156-M183 VanDerWaalsContact CG1-SD 3.59Å; F179-M183 HydrophobicContact CD1-CG 4.04Å; F179-M183 HydrophobicContact CD2-CG 4.11Å; F179-M183 HydrophobicContact CE1-CG 3.65Å; F179-M183 HydrophobicContact CE1-SD 4.34Å; F179-M183 HydrophobicContact CE2-CG 3.72Å; F179-M183 HydrophobicContact CE2-SD 3.96Å; F179-M183 HydrophobicContact CG-CG 4.26Å; F179-M183 HydrophobicContact CZ-CE 4.27Å; F179-M183 HydrophobicContact CZ-CG 3.47Å; F179-M183 VanDerWaalsContact CZ-CG 3.47Å; F179-M183 HydrophobicContact CZ-SD 3.66Å; F179-M183 WeakPolarHBondContact O-CB 3.44Å; F179-M183 VanDerWaalsContact O-CG 3.23Å; F179-M183 WeakPolarHBondContact O-CG 3.46Å; F179-M183 PolarHBondContact O-N 3.18Å; M183-L186 PolarHBondContact O-N 3.2Å; M183-L186 HydrophobicContact SD-CD2 4.48Å; M183-N187 VanDerWaalsContact O-CB 3.25Å; M183-N187 WeakPolarHBondContact O-CB 3.43Å; M183-N187 PolarHBondContact O-N 2.89Å; M183-L213 HydrophobicContact CE-CB 3.68Å; M183-L213 HydrophobicContact CE-CD1 3.99Å; M183-L213 HydrophobicContact CE-CD2 4.04Å; M183-L213 HydrophobicContact CE-CG 4.12Å; M183-L213 HydrophobicContact SD-CD1 4.24Å; M183-L213 HydrophobicContact SD-CD2 4.37Å
184V96Very high96.4Very high105 Ų10559.3 Ų59.364%0.63628%0.283SS*.Hα-helixtrans-63.4-43.5175.7170.10000111.1G180 K181 E182 N187 Y188G180-V184 WeakPolarHBondContact O-CG2 3.41Å; G180-V184 PolarHBondContact O-N 2.88Å; G180-V184 VanDerWaalsContact O-N 3.12Å; K181-V184 PolarHBondContact O-N 2.95Å; E182-V184 VanDerWaalsContact C-N 3.34Å; E182-V184 PolarHBondContact O-N 3.38Å; V184-N187 PolarHBondContact O-N 3.11Å; V184-Y188 PolarHBondContact O-N 3.03Å; V184-Y188 VanDerWaalsContact O-N 3.12Å
185K95.9Very high96.2Very high100 Ų10062.5 Ų62.544%0.43530%0.295SS..Hα-helixtrans-64.2-47.3176.8-63.3176-166.9161.90111.4K181 E182 N187 Y188 V189K181-K185 PolarHBondContact O-N 3.01Å; E182-K185 VanDerWaalsContact CD-NZ 3.31Å; E182-K185 PolarHBondContact O-N 3.36Å; E182-K185 IonicContact OE1-NZ 2.78Å; E182-K185 PolarHBondContact OE1-NZ 3.24Å; E182-K185 WeakPolarHBondContact OE2-CD 3.34Å; E182-K185 IonicContact OE2-NZ 3.34Å; E182-K185 PolarHBondContact OE2-NZ 2.99Å; E182-K185 VanDerWaalsContact OE2-NZ 3.09Å; K185-N187 VanDerWaalsContact C-N 3.33Å; K185-N187 PolarHBondContact O-N 3.31Å; K185-Y188 PolarHBondContact O-N 2.99Å; K185-V189 PolarHBondContact O-N 3.46Å; K185-V189 VanDerWaalsContact O-N 3.14Å
186L97.1Very high96Very high1 Ų161.9 Ų61.91%0.00530%0.295CS..Hα-helixtrans-57.6-47.6176.8172.662000110.7L149 H152 L153 V156 E182 M183 Y188 V189 A190 L213L149-L186 HydrophobicContact CD1-CD1 3.69Å; H152-L186 HydrophobicContact CB-CD1 4.16Å; L153-L186 HydrophobicContact CD2-CD1 3.62Å; L153-L186 HydrophobicContact CD2-CD2 3.72Å; L153-L186 HydrophobicContact CD2-CG 4.3Å; L153-L186 HydrophobicContact CG-CD1 3.71Å; V156-L186 HydrophobicContact CB-CD2 4.06Å; V156-L186 HydrophobicContact CG1-CD2 4.06Å; V156-L186 HydrophobicContact CG2-CB 3.85Å; V156-L186 HydrophobicContact CG2-CD2 3.79Å; V156-L186 HydrophobicContact CG2-CG 4.42Å; E182-L186 WeakPolarHBondContact O-CB 3.27Å; E182-L186 PolarHBondContact O-N 2.95Å; M183-L186 PolarHBondContact O-N 3.2Å; M183-L186 HydrophobicContact SD-CD2 4.48Å; L186-Y188 VanDerWaalsContact C-N 3.27Å; L186-Y188 PolarHBondContact O-N 3.23Å; L186-V189 PolarHBondContact O-N 2.98Å; L186-A190 VanDerWaalsContact O-CB 3.23Å; L186-A190 WeakPolarHBondContact O-CB 3.33Å; L186-A190 PolarHBondContact O-N 3.46Å; L186-L213 HydrophobicContact CD2-CD1 4.05Å
187N95.4Very high95.8Very high76 Ų7660 Ų6041%0.40629%0.287SS..Hα-helixtrans-59.7-37.8179.9-179.352.7000112.2M183 V184 K185 A191 R210M183-N187 VanDerWaalsContact O-CB 3.25Å; M183-N187 WeakPolarHBondContact O-CB 3.43Å; M183-N187 PolarHBondContact O-N 2.89Å; V184-N187 PolarHBondContact O-N 3.11Å; K185-N187 VanDerWaalsContact C-N 3.33Å; K185-N187 PolarHBondContact O-N 3.31Å; N187-A191 WeakPolarHBondContact O-CB 3.41Å; N187-A191 PolarHBondContact O-N 3.22Å; N187-R210 PolarHBondContact OD1-NE 2.85Å; N187-R210 VanDerWaalsContact OD1-NE 3.11Å; N187-R210 PolarHBondContact OD1-NH2 3.18Å
188Y96Very high95.5Very high155 Ų15557.4 Ų57.461%0.60828%0.276SS*.Hα-helixtrans-64.1-49.6175.5177.8-98.1000112.3V184 K185 L186 A191 R192V184-Y188 PolarHBondContact O-N 3.03Å; V184-Y188 VanDerWaalsContact O-N 3.12Å; K185-Y188 PolarHBondContact O-N 2.99Å; L186-Y188 VanDerWaalsContact C-N 3.27Å; L186-Y188 PolarHBondContact O-N 3.23Å; Y188-A191 PolarHBondContact O-N 2.83Å; Y188-R192 PolarHBondContact O-N 3.39Å; Y188-R192 VanDerWaalsContact O-N 3.12Å
189V95.4Very high95.1Very high14 Ų1455.2 Ų55.29%0.08527%0.268CS..Hα-helixtrans-68.3-40.2-178.5-176.50000111.3L149 K185 L186 R192 R193L149-V189 HydrophobicContact CB-CG1 4Å; L149-V189 HydrophobicContact CD1-CB 4.25Å; L149-V189 HydrophobicContact CD1-CG1 3.96Å; K185-V189 PolarHBondContact O-N 3.46Å; K185-V189 VanDerWaalsContact O-N 3.14Å; L186-V189 PolarHBondContact O-N 2.98Å; V189-R192 PolarHBondContact O-N 3.13Å; V189-R193 PolarHBondContact O-N 3.47Å
190A96.8Very high94.6Very high0 Ų058.3 Ų58.30%029%0.288CS..Hα-helixtrans-66.1-40.4175.500000111.9L149 L186 R192 R193 Q194 R210 I254L149-A190 HydrophobicContact CD1-CB 4.12Å; L186-A190 VanDerWaalsContact O-CB 3.23Å; L186-A190 WeakPolarHBondContact O-CB 3.33Å; L186-A190 PolarHBondContact O-N 3.46Å; A190-R192 VanDerWaalsContact C-N 3.34Å; A190-R192 PolarHBondContact O-N 2.74Å; A190-R193 PolarHBondContact O-N 2.91Å; A190-Q194 WeakPolarHBondContact O-CB 3.08Å; A190-Q194 PolarHBondContact O-N 3.4Å; A190-R210 HydrophobicContact CB-CG 4.19Å; A190-I254 HydrophobicContact CB-CD1 4.49Å; A190-I254 HydrophobicContact CB-CG2 4.11Å
191A96.6Very high94.1Very high19 Ų1959.1 Ų59.116%0.15728%0.284CS..Hα-helixtrans-60.3-44.4175.800000112.1N187 Y188 Q194 Q195N187-A191 WeakPolarHBondContact O-CB 3.41Å; N187-A191 PolarHBondContact O-N 3.22Å; Y188-A191 PolarHBondContact O-N 2.83Å; A191-Q194 PolarHBondContact O-N 2.86Å; A191-Q195 WeakPolarHBondContact O-CG 3.29Å; A191-Q195 PolarHBondContact O-N 3.19Å; A191-Q195 VanDerWaalsContact O-N 3.16Å
192R95.3Very high93.8Very high80 Ų8053.6 Ų53.630%0.30226%0.261SS..Hα-helixtrans-64.4-44.2177.2-168.5-179.364.5-170.9-2.1111Y188 V189 A190 Q194 Q195 E196Y188-R192 PolarHBondContact O-N 3.39Å; Y188-R192 VanDerWaalsContact O-N 3.12Å; V189-R192 PolarHBondContact O-N 3.13Å; A190-R192 VanDerWaalsContact C-N 3.34Å; A190-R192 PolarHBondContact O-N 2.74Å; R192-Q194 VanDerWaalsContact C-N 3.35Å; R192-Q194 PolarHBondContact O-N 2.93Å; R192-Q195 PolarHBondContact O-N 3.26Å; R192-E196 WeakPolarHBondContact O-CG 3.46Å; R192-E196 PolarHBondContact O-N 3.43Å
193R94.9Very high93.6Very high9 Ų955.4 Ų55.43%0.03427%0.266CS..Hα-helixtrans-59.6-45.3175.7-176.757.3173.9-172.63.7111.6D142 V146 L149 V189 A190 Q195 E196 L197 M206D142-R193 IonicContact OD1-CZ 3.78Å; D142-R193 IonicContact OD1-NH1 3.05Å; D142-R193 PolarHBondContact OD1-NH1 3.17Å; D142-R193 IonicContact OD1-NH2 3.1Å; D142-R193 IonicContact OD2-CZ 3.72Å; D142-R193 IonicContact OD2-NH1 2.81Å; D142-R193 PolarHBondContact OD2-NH1 2.94Å; D142-R193 VanDerWaalsContact OD2-NH1 3.1Å; D142-R193 IonicContact OD2-NH2 2.69Å; D142-R193 PolarHBondContact OD2-NH2 3.08Å; V146-R193 VanDerWaalsContact CG2-CZ 3.4Å; L149-R193 HydrophobicContact CD2-CB 3.95Å; L149-R193 HydrophobicContact CD2-CG 3.93Å; V189-R193 PolarHBondContact O-N 3.47Å; A190-R193 PolarHBondContact O-N 2.91Å; R193-Q195 VanDerWaalsContact C-N 3.26Å; R193-Q195 PolarHBondContact O-N 2.99Å; R193-E196 PolarHBondContact O-N 3.34Å; R193-L197 HydrophobicContact CG-CD1 4.42Å; R193-L197 HydrophobicContact CG-CG 4.28Å; R193-L197 WeakPolarHBondContact O-CG 2.86Å; R193-L197 PolarHBondContact O-N 3.05Å; R193-M206 HydrophobicContact CB-CE 4.45Å; R193-M206 HydrophobicContact CB-SD 4.05Å; R193-M206 HydrophobicContact CG-CE 3.95Å; R193-M206 HydrophobicContact CG-SD 4.11Å
194Q95.6Very high93.3Very high37 Ų3759.3 Ų59.317%0.17329%0.287CS..Hα-helixtrans-55.2-41.3176.8-175.5-171.3-31.500112.1A190 A191 R192 E196 R203 M206A190-Q194 WeakPolarHBondContact O-CB 3.08Å; A190-Q194 PolarHBondContact O-N 3.4Å; A191-Q194 PolarHBondContact O-N 2.86Å; R192-Q194 VanDerWaalsContact C-N 3.35Å; R192-Q194 PolarHBondContact O-N 2.93Å; Q194-E196 VanDerWaalsContact C-N 3.3Å; Q194-E196 PolarHBondContact O-N 3.04Å; Q194-R203 HydrophobicContact CG-CB 4.35Å; Q194-R203 VanDerWaalsContact O-CD 3.25Å; Q194-R203 WeakPolarHBondContact O-CD 3.38Å; Q194-R203 VanDerWaalsContact O-CG 3.23Å; Q194-R203 WeakPolarHBondContact O-CG 3.33Å; Q194-M206 HydrophobicContact CB-CB 4.43Å; Q194-M206 HydrophobicContact CB-CG 4.06Å; Q194-M206 HydrophobicContact CB-SD 3.77Å; Q194-M206 HydrophobicContact CG-CB 4.35Å; Q194-M206 HydrophobicContact CG-CG 4.45Å; Q194-M206 PolarHBondContact N-SD 3.33Å
195Q94.2Very high93Very high148 Ų14855.7 Ų55.769%0.69226%0.263SS*.Hα-helixtrans-70.6-27.2179.4-69.6173.5-3.700113.1A191 R192 R193A191-Q195 WeakPolarHBondContact O-CG 3.29Å; A191-Q195 PolarHBondContact O-N 3.19Å; A191-Q195 VanDerWaalsContact O-N 3.16Å; R192-Q195 PolarHBondContact O-N 3.26Å; R193-Q195 VanDerWaalsContact C-N 3.26Å; R193-Q195 PolarHBondContact O-N 2.99Å
196E92.6Very high92.9Very high46 Ų4651 Ų5122%0.21524%0.243CC..Hα-helixtrans-90.4-22.4-176.3-69.4172.5169.100113.3T21 L22 R192 R193 Q194T21-E196 CarbonylContact C-O 3.52Å; T21-E196 WeakPolarHBondContact CA-O 3.29Å; T21-E196 WeakPolarHBondContact CB-O 3.46Å; T21-E196 HydrophobicContact CG2-CB 4.08Å; L22-E196 PolarHBondContact N-O 2.87Å; R192-E196 WeakPolarHBondContact O-CG 3.46Å; R192-E196 PolarHBondContact O-N 3.43Å; R193-E196 PolarHBondContact O-N 3.34Å; Q194-E196 VanDerWaalsContact C-N 3.3Å; Q194-E196 PolarHBondContact O-N 3.04Å
197L93.2Very high92.8Very high5 Ų552.5 Ų52.53%0.02626%0.256CS..BIsolated β-bridgetrans-59.3135.4179.6-78.8170.3000111.7R193 C202 R203 M206R193-L197 HydrophobicContact CG-CD1 4.42Å; R193-L197 HydrophobicContact CG-CG 4.28Å; R193-L197 WeakPolarHBondContact O-CG 2.86Å; R193-L197 PolarHBondContact O-N 3.05Å; L197-C202 HydrophobicContact CD1-CB 4.07Å; L197-R203 HydrophobicContact CB-CG 3.6Å; L197-R203 WeakPolarHBondContact O-CD 3.43Å; L197-R203 PolarHBondContact O-NH1 3.22Å; L197-M206 HydrophobicContact CD1-CE 4.07Å; L197-M206 HydrophobicContact CD1-SD 4.21Å
198K90.3Very high92.7Very high85 Ų8551.7 Ų51.737%0.3726%0.259SS..SBendtrans-79.6-43179.8-179.7175.6173.8171.30112.6R20 L22 E25 P200R20-K198 WeakPolarHBondContact O-CB 3.45Å; R20-K198 PolarHBondContact O-N 2.77Å; L22-K198 HydrophobicContact CD2-CB 4.32Å; L22-K198 HydrophobicContact CD2-CG 4.23Å; E25-K198 WeakPolarHBondContact OE1-CE 3.41Å; E25-K198 IonicContact OE1-NZ 3.74Å; E25-K198 PolarHBondContact OE1-NZ 3.49Å; E25-K198 WeakPolarHBondContact OE2-CD 3.43Å; E25-K198 WeakPolarHBondContact OE2-CE 3.5Å; E25-K198 IonicContact OE2-NZ 3.23Å; K198-P200 WeakPolarHBondContact O-CD 3.26Å
199D88.4Confident92.6Very high69 Ų6944.7 Ų44.737%0.36923%0.234SC..  trans-72.7118.2-179.1175.717.8000111H201 C202 R203D199-H201 VanDerWaalsContact C-N 3.27Å; D199-H201 PolarHBondContact O-N 3.41Å; D199-H201 PolarHBondContact OD1-N 3.49Å; D199-C202 HydrophobicContact CB-CB 4.11Å; D199-C202 PolarHBondContact O-N 2.66Å; D199-C202 PolarHBondContact OD2-N 2.98Å; D199-C202 PolarHBondContact OD2-SG 3Å; D199-R203 WeakPolarHBondContact O-CG 3.3Å; D199-R203 PolarHBondContact O-N 2.95Å; D199-R203 VanDerWaalsContact O-N 3.15Å
200P87.1Confident92.7Very high68 Ų6846.8 Ų46.844%0.44224%0.24SC..Hα-helixtrans-53.9-41.6174.3-23.333.5000113.3K198 C202 R203 D204K198-P200 WeakPolarHBondContact O-CD 3.26Å; P200-C202 PolarHBondContact O-N 3.31Å; P200-R203 WeakPolarHBondContact O-CB 3.42Å; P200-R203 PolarHBondContact O-N 3.09Å; P200-D204 VanDerWaalsContact O-CG 3.31Å; P200-D204 PolarHBondContact O-N 2.94Å
201H86.4Confident92.5Very high44 Ų4448.7 Ų48.720%0.20426%0.26CS..Hα-helixtrans-62.4-48.9-178.117369000111.3D199 R203 D204 E205 D265D199-H201 VanDerWaalsContact C-N 3.27Å; D199-H201 PolarHBondContact O-N 3.41Å; D199-H201 PolarHBondContact OD1-N 3.49Å; H201-R203 PolarHBondContact O-N 2.92Å; H201-D204 PolarHBondContact O-N 2.96Å; H201-E205 IonicContact CE1-OE1 3.87Å; H201-E205 PolarHBondContact CE1-OE1 3.12Å; H201-E205 VanDerWaalsContact NE2-CD 3.28Å; H201-E205 IonicContact NE2-OE1 2.68Å; H201-E205 PolarHBondContact NE2-OE1 3.28Å; H201-E205 IonicContact NE2-OE2 2.95Å; H201-E205 WeakPolarHBondContact O-CG 3.38Å; H201-E205 PolarHBondContact O-N 3.18Å; H201-D265 VanDerWaalsContact CE1-CG 3.4Å; H201-D265 IonicContact CE1-OD1 3.61Å; H201-D265 IonicContact CE1-OD2 2.74Å; H201-D265 PolarHBondContact CE1-OD2 3.21Å; H201-D265 IonicContact ND1-OD2 3.67Å; H201-D265 PolarHBondContact ND1-OD2 3.15Å
202C90.3Very high92.4Very high4 Ų449.2 Ų49.23%0.02727%0.265CS..Hα-helixtrans-59.4-32.9174-69.80000113L197 D199 P200 M206L197-C202 HydrophobicContact CD1-CB 4.07Å; D199-C202 HydrophobicContact CB-CB 4.11Å; D199-C202 PolarHBondContact O-N 2.66Å; D199-C202 PolarHBondContact OD2-N 2.98Å; D199-C202 PolarHBondContact OD2-SG 3Å; P200-C202 PolarHBondContact O-N 3.31Å; C202-M206 VanDerWaalsContact O-CB 3.32Å; C202-M206 WeakPolarHBondContact O-CB 3.33Å; C202-M206 PolarHBondContact O-N 3.49Å; C202-M206 VanDerWaalsContact O-N 3.07Å
203R91.7Very high92.4Very high75 Ų7545.9 Ų45.928%0.28325%0.252SS..Hα-helixtrans-66.7-45175.6-70.8-169.6-65.2-147.63.4111.9Q194 L197 D199 P200 H201 M206 A207Q194-R203 HydrophobicContact CG-CB 4.35Å; Q194-R203 VanDerWaalsContact O-CD 3.25Å; Q194-R203 WeakPolarHBondContact O-CD 3.38Å; Q194-R203 VanDerWaalsContact O-CG 3.23Å; Q194-R203 WeakPolarHBondContact O-CG 3.33Å; L197-R203 HydrophobicContact CB-CG 3.6Å; L197-R203 WeakPolarHBondContact O-CD 3.43Å; L197-R203 PolarHBondContact O-NH1 3.22Å; D199-R203 WeakPolarHBondContact O-CG 3.3Å; D199-R203 PolarHBondContact O-N 2.95Å; D199-R203 VanDerWaalsContact O-N 3.15Å; P200-R203 WeakPolarHBondContact O-CB 3.42Å; P200-R203 PolarHBondContact O-N 3.09Å; H201-R203 PolarHBondContact O-N 2.92Å; R203-M206 PolarHBondContact O-N 3.28Å; R203-A207 WeakPolarHBondContact O-CB 3.37Å; R203-A207 PolarHBondContact O-N 3.2Å
204D89.5Confident92.3Very high105 Ų10553.6 Ų53.656%0.56129%0.286SS*.Hα-helixtrans-70.7-40.5-177.3-62.5-22.8000110.8P200 H201 M206 A207 A208P200-D204 VanDerWaalsContact O-CG 3.31Å; P200-D204 PolarHBondContact O-N 2.94Å; H201-D204 PolarHBondContact O-N 2.96Å; D204-M206 VanDerWaalsContact C-N 3.34Å; D204-M206 PolarHBondContact O-N 3.47Å; D204-A207 WeakPolarHBondContact O-CB 3.37Å; D204-A207 PolarHBondContact O-N 3.02Å; D204-A208 WeakPolarHBondContact O-CB 2.92Å; D204-A208 PolarHBondContact O-N 2.84Å
205E90.4Very high92.1Very high30 Ų3054.8 Ų54.814%0.1429%0.291CS..Hα-helixtrans-60-43.9172-73.2-16013600112H201 A207 A208 A209 A257 S262 K268H201-E205 IonicContact CE1-OE1 3.87Å; H201-E205 PolarHBondContact CE1-OE1 3.12Å; H201-E205 VanDerWaalsContact NE2-CD 3.28Å; H201-E205 IonicContact NE2-OE1 2.68Å; H201-E205 PolarHBondContact NE2-OE1 3.28Å; H201-E205 IonicContact NE2-OE2 2.95Å; H201-E205 WeakPolarHBondContact O-CG 3.38Å; H201-E205 PolarHBondContact O-N 3.18Å; E205-A207 VanDerWaalsContact C-N 3.33Å; E205-A207 PolarHBondContact O-N 3.29Å; E205-A208 PolarHBondContact O-N 2.9Å; E205-A209 VanDerWaalsContact O-CB 3.28Å; E205-A209 WeakPolarHBondContact O-CB 3.38Å; E205-A209 PolarHBondContact O-N 3.3Å; E205-A257 HydrophobicContact CB-CB 4.08Å; E205-S262 WeakPolarHBondContact OE2-CB 3.4Å; E205-S262 PolarHBondContact OE2-OG 3.3Å; E205-K268 IonicContact OE1-NZ 2.83Å; E205-K268 PolarHBondContact OE1-NZ 3.44Å
206M94.6Very high92.1Very high0 Ų047.9 Ų47.90%026%0.259CS..Hα-helixtrans-65-38.6175.7-173.1166.7-72.100111.6L149 R193 Q194 L197 C202 R203 D204 R210 I254 A257 A258L149-M206 HydrophobicContact CD2-CE 4.28Å; R193-M206 HydrophobicContact CB-CE 4.45Å; R193-M206 HydrophobicContact CB-SD 4.05Å; R193-M206 HydrophobicContact CG-CE 3.95Å; R193-M206 HydrophobicContact CG-SD 4.11Å; Q194-M206 HydrophobicContact CB-CB 4.43Å; Q194-M206 HydrophobicContact CB-CG 4.06Å; Q194-M206 HydrophobicContact CB-SD 3.77Å; Q194-M206 HydrophobicContact CG-CB 4.35Å; Q194-M206 HydrophobicContact CG-CG 4.45Å; Q194-M206 PolarHBondContact N-SD 3.33Å; L197-M206 HydrophobicContact CD1-CE 4.07Å; L197-M206 HydrophobicContact CD1-SD 4.21Å; C202-M206 VanDerWaalsContact O-CB 3.32Å; C202-M206 WeakPolarHBondContact O-CB 3.33Å; C202-M206 PolarHBondContact O-N 3.49Å; C202-M206 VanDerWaalsContact O-N 3.07Å; R203-M206 PolarHBondContact O-N 3.28Å; D204-M206 VanDerWaalsContact C-N 3.34Å; D204-M206 PolarHBondContact O-N 3.47Å; M206-R210 HydrophobicContact CG-CG 4.49Å; M206-R210 WeakPolarHBondContact O-CB 3.35Å; M206-R210 WeakPolarHBondContact O-CG 3.35Å; M206-R210 PolarHBondContact O-N 3.42Å; M206-I254 HydrophobicContact CE-CG2 4.13Å; M206-A257 HydrophobicContact CB-CB 3.91Å; M206-A257 HydrophobicContact CE-CB 4.11Å; M206-A258 HydrophobicContact CE-CB 3.63Å
207A94.8Very high92.1Very high34 Ų3446.8 Ų46.828%0.28126%0.258SS..Hα-helixtrans-62.6-48.8175.900000111.5R203 D204 E205 R210 G211R203-A207 WeakPolarHBondContact O-CB 3.37Å; R203-A207 PolarHBondContact O-N 3.2Å; D204-A207 WeakPolarHBondContact O-CB 3.37Å; D204-A207 PolarHBondContact O-N 3.02Å; E205-A207 VanDerWaalsContact C-N 3.33Å; E205-A207 PolarHBondContact O-N 3.29Å; A207-R210 PolarHBondContact O-N 3.22Å; A207-G211 PolarHBondContact O-N 3.16Å
208A91.9Very high92.1Very high58 Ų5850.5 Ų50.548%0.47928%0.281SS..Hα-helixtrans-61.1-45.9178.700000111.4D204 E205 R210 G211 A212D204-A208 WeakPolarHBondContact O-CB 2.92Å; D204-A208 PolarHBondContact O-N 2.84Å; E205-A208 PolarHBondContact O-N 2.9Å; A208-R210 PolarHBondContact O-N 3.47Å; A208-G211 PolarHBondContact O-N 3.29Å; A208-A212 WeakPolarHBondContact O-CB 3.5Å; A208-A212 PolarHBondContact O-N 2.88Å
209A95.2Very high92.4Very high9 Ų946.6 Ų46.67%0.07426%0.264CS..Hα-helixtrans-63.9-4117800000112.3E205 A212 L213 I254E205-A209 VanDerWaalsContact O-CB 3.28Å; E205-A209 WeakPolarHBondContact O-CB 3.38Å; E205-A209 PolarHBondContact O-N 3.3Å; A209-A212 PolarHBondContact O-N 3.19Å; A209-L213 PolarHBondContact O-N 3.33Å; A209-I254 HydrophobicContact CB-CG1 3.64Å
210R96.3Very high92.8Very high57 Ų5743.3 Ų43.322%0.21525%0.246CC..Hα-helixtrans-62.9-40.9172.3-73.2173.464.9-137.7-9.4112.2N187 A190 M206 A207 A208 L213 K214 I254N187-R210 PolarHBondContact OD1-NE 2.85Å; N187-R210 VanDerWaalsContact OD1-NE 3.11Å; N187-R210 PolarHBondContact OD1-NH2 3.18Å; A190-R210 HydrophobicContact CB-CG 4.19Å; M206-R210 HydrophobicContact CG-CG 4.49Å; M206-R210 WeakPolarHBondContact O-CB 3.35Å; M206-R210 WeakPolarHBondContact O-CG 3.35Å; M206-R210 PolarHBondContact O-N 3.42Å; A207-R210 PolarHBondContact O-N 3.22Å; A208-R210 PolarHBondContact O-N 3.47Å; R210-L213 PolarHBondContact O-N 2.96Å; R210-K214 PolarHBondContact O-N 2.98Å; R210-K214 VanDerWaalsContact O-N 3.16Å; R210-I254 HydrophobicContact CG-CD1 3.86Å; R210-I254 HydrophobicContact CG-CG1 4.37Å
211G94.1Very high93.3Very high40 Ų4043.2 Ų43.241%0.41224%0.238SC..Hα-helixtrans-61.1-47.6174.600000112A207 A208 L213 K214 K215A207-G211 PolarHBondContact O-N 3.16Å; A208-G211 PolarHBondContact O-N 3.29Å; G211-L213 PolarHBondContact O-N 3.2Å; G211-K214 PolarHBondContact O-N 3.39Å; G211-K215 WeakPolarHBondContact O-CB 3.42Å; G211-K215 PolarHBondContact O-N 2.98Å
212A94Very high93.8Very high31 Ų3141.7 Ų41.726%0.25623%0.231SC..Hα-helixtrans-59.4-43.2176.600000112A208 A209 K214 K215 N216 A250A208-A212 WeakPolarHBondContact O-CB 3.5Å; A208-A212 PolarHBondContact O-N 2.88Å; A209-A212 PolarHBondContact O-N 3.19Å; A212-K214 PolarHBondContact O-N 3.48Å; A212-K215 PolarHBondContact O-N 2.99Å; A212-N216 WeakPolarHBondContact O-CB 3.17Å; A212-N216 PolarHBondContact O-N 3.39Å; A212-N216 PolarHBondContact O-ND2 3.44Å; A212-A250 HydrophobicContact CB-CB 3.91Å
213L94.9Very high94.1Very high9 Ų941.5 Ų41.55%0.04723%0.23CC..Hα-helixtrans-57.2-47174.3-83.7-173.6000112.8M183 L186 A209 R210 G211 A217 V247 A250 I251 I254M183-L213 HydrophobicContact CE-CB 3.68Å; M183-L213 HydrophobicContact CE-CD1 3.99Å; M183-L213 HydrophobicContact CE-CD2 4.04Å; M183-L213 HydrophobicContact CE-CG 4.12Å; M183-L213 HydrophobicContact SD-CD1 4.24Å; M183-L213 HydrophobicContact SD-CD2 4.37Å; L186-L213 HydrophobicContact CD2-CD1 4.05Å; A209-L213 PolarHBondContact O-N 3.33Å; R210-L213 PolarHBondContact O-N 2.96Å; G211-L213 PolarHBondContact O-N 3.2Å; L213-A217 PolarHBondContact O-N 2.84Å; L213-V247 HydrophobicContact CD2-CG1 3.71Å; L213-A250 HydrophobicContact CD2-CB 3.73Å; L213-A250 HydrophobicContact CG-CB 3.72Å; L213-I251 HydrophobicContact CD2-CG1 4Å; L213-I254 HydrophobicContact CD1-CD1 3.47Å; L213-I254 VanDerWaalsContact CD1-CD1 3.47Å; L213-I254 HydrophobicContact CG-CD1 4.46Å
214K92.4Very high94.4Very high172 Ų17238.1 Ų38.175%0.74822%0.218SC*.Hα-helixtrans-64.4-44.5178.7-175.2-179.2177.4-173.60111.5R210 G211 A212R210-K214 PolarHBondContact O-N 2.98Å; R210-K214 VanDerWaalsContact O-N 3.16Å; G211-K214 PolarHBondContact O-N 3.39Å; A212-K214 PolarHBondContact O-N 3.48Å
215K91Very high94.8Very high61 Ų6134.4 Ų34.427%0.26520%0.197SC..Hα-helixtrans-58.8-47.5177.4167.5168.9154.9169.50111.7G211 A212 A217 M219 Q488G211-K215 WeakPolarHBondContact O-CB 3.42Å; G211-K215 PolarHBondContact O-N 2.98Å; A212-K215 PolarHBondContact O-N 2.99Å; K215-A217 PolarHBondContact O-N 3.02Å; K215-M219 HydrophobicContact CG-CE 4.31Å; K215-Q488 VanDerWaalsContact CG-OE1 3.25Å
216N95Very high95.2Very high4 Ų433 Ų332%0.02119%0.19CC..Hα-helixtrans-78.2-17.9-174.1-63.9-32.6000114A212 T218 M219 L220 V243 Q246 V247A212-N216 WeakPolarHBondContact O-CB 3.17Å; A212-N216 PolarHBondContact O-N 3.39Å; A212-N216 PolarHBondContact O-ND2 3.44Å; N216-T218 PolarHBondContact O-N 3.32Å; N216-M219 HydrophobicContact CB-CE 4.24Å; N216-M219 PolarHBondContact O-N 3.46Å; N216-M219 WeakPolarHBondContact OD1-CE 3.4Å; N216-L220 VanDerWaalsContact O-CB 3.31Å; N216-L220 WeakPolarHBondContact O-CB 3.36Å; N216-L220 PolarHBondContact O-N 3.06Å; N216-V243 HydrophobicContact CB-CG1 4.16Å; N216-V243 WeakPolarHBondContact O-CG1 3.37Å; N216-Q246 VanDerWaalsContact ND2-CB 3.29Å; N216-Q246 WeakPolarHBondContact ND2-CB 3.46Å; N216-V247 HydrophobicContact CB-CG2 3.6Å
217A92.6Very high95.3Very high23 Ų2334.3 Ų34.319%0.1920%0.196CC..Hα-helixtrans-59.3-44.3-177.200000113.1F176 L213 K215 L220 Y221F176-A217 WeakPolarHBondContact CE2-O 3.29Å; F176-A217 VanDerWaalsContact CZ-O 3.24Å; F176-A217 WeakPolarHBondContact CZ-O 3.44Å; L213-A217 PolarHBondContact O-N 2.84Å; K215-A217 PolarHBondContact O-N 3.02Å; A217-L220 WeakPolarHBondContact O-CB 3.28Å; A217-L220 PolarHBondContact O-N 3.15Å; A217-Y221 PolarHBondContact O-N 3.09Å
218T92.3Very high95.4Very high83 Ų8334.6 Ų34.651%0.50919%0.193SC..Hα-helixtrans-68.8-45.5179.5-52.80000111.5N216 L220 Y221 T222 V484N216-T218 PolarHBondContact O-N 3.32Å; T218-L220 PolarHBondContact O-N 3.21Å; T218-Y221 PolarHBondContact O-N 3.44Å; T218-T222 PolarHBondContact O-N 3.06Å; T218-T222 PolarHBondContact O-OG1 3.44Å; T218-V484 HydrophobicContact CG2-CG1 4.05Å; T218-V484 HydrophobicContact CG2-CG2 3.91Å
219M96.9Very high95.7Very high3 Ų339 Ų392%0.01520%0.197CC..Hα-helixtrans-58.7-36.2175.2-71.5-172.9-61.400111.9K215 N216 Y221 T222 A223 V243 V484 F485 Q488K215-M219 HydrophobicContact CG-CE 4.31Å; N216-M219 HydrophobicContact CB-CE 4.24Å; N216-M219 PolarHBondContact O-N 3.46Å; N216-M219 WeakPolarHBondContact OD1-CE 3.4Å; M219-Y221 VanDerWaalsContact C-N 3.31Å; M219-Y221 PolarHBondContact O-N 3.5Å; M219-T222 PolarHBondContact O-OG1 3.09Å; M219-A223 WeakPolarHBondContact O-CB 3.39Å; M219-A223 PolarHBondContact O-N 2.87Å; M219-V243 HydrophobicContact CB-CG1 3.9Å; M219-V243 HydrophobicContact CB-CG2 3.76Å; M219-V484 HydrophobicContact CB-CG1 4.34Å; M219-V484 HydrophobicContact CG-CG1 3.52Å; M219-F485 HydrophobicContact SD-CD1 4.12Å; M219-F485 HydrophobicContact SD-CE1 3.8Å; M219-F485 HydrophobicContact SD-CZ 4.37Å; M219-Q488 HydrophobicContact CE-CG 4.32Å; M219-Q488 HydrophobicContact SD-CB 4.15Å; M219-Q488 HydrophobicContact SD-CG 3.81Å
220L97.4Very high95.8Very high0 Ų039.4 Ų39.40%020%0.197CC..Hα-helixtrans-61.8-43.8-178.7-179.965.7000110.4L160 V163 F176 F179 N216 A217 T218 S224 V243 F244 V247L160-L220 HydrophobicContact CD1-CD1 4.31Å; L160-L220 HydrophobicContact CD1-CD2 3.5Å; V163-L220 HydrophobicContact CG1-CD2 4.32Å; V163-L220 HydrophobicContact CG1-CG 4.39Å; F176-L220 HydrophobicContact CE2-CB 4.4Å; F176-L220 HydrophobicContact CE2-CD2 4.17Å; F176-L220 HydrophobicContact CE2-CG 4.4Å; F179-L220 HydrophobicContact CD1-CD2 4.43Å; F179-L220 HydrophobicContact CE1-CD2 3.9Å; F179-L220 HydrophobicContact CZ-CD2 4.13Å; N216-L220 VanDerWaalsContact O-CB 3.31Å; N216-L220 WeakPolarHBondContact O-CB 3.36Å; N216-L220 PolarHBondContact O-N 3.06Å; A217-L220 WeakPolarHBondContact O-CB 3.28Å; A217-L220 PolarHBondContact O-N 3.15Å; T218-L220 PolarHBondContact O-N 3.21Å; L220-S224 WeakPolarHBondContact O-CB 3.48Å; L220-S224 PolarHBondContact O-N 3Å; L220-S224 VanDerWaalsContact O-N 3.09Å; L220-S224 PolarHBondContact O-OG 3.01Å; L220-V243 HydrophobicContact CB-CG1 3.79Å; L220-V243 HydrophobicContact CD1-CG1 4.16Å; L220-F244 HydrophobicContact CD1-CD1 3.85Å; L220-F244 HydrophobicContact CD1-CD2 3.89Å; L220-F244 HydrophobicContact CD1-CE1 3.62Å; L220-F244 HydrophobicContact CD1-CE2 3.66Å; L220-F244 HydrophobicContact CD1-CG 3.94Å; L220-F244 HydrophobicContact CD1-CZ 3.5Å; L220-F244 VanDerWaalsContact CD1-CZ 3.5Å; L220-F244 HydrophobicContact CG-CZ 4.46Å; L220-V247 HydrophobicContact CD2-CG2 4.45Å
221Y97Very high95.7Very high66 Ų6640.1 Ų40.126%0.25921%0.21SC..Hα-helixtrans-66.6-53.6179.4-174.8-102.1000111.6L172 F176 A217 T218 M219 A223 S224 Q225L172-Y221 HydrophobicContact CD2-CD2 4.41Å; L172-Y221 HydrophobicContact CD2-CE2 4.26Å; L172-Y221 HydrophobicContact CG-CD2 4.34Å; L172-Y221 HydrophobicContact CG-CE2 4.13Å; F176-Y221 HydrophobicContact CB-CD2 3.9Å; F176-Y221 HydrophobicContact CB-CE2 4.24Å; F176-Y221 AromaticContact CD1-CD2 3.6Å; F176-Y221 HydrophobicContact CD1-CD2 3.6Å; F176-Y221 HydrophobicContact CD1-CE2 4.26Å; F176-Y221 HydrophobicContact CD1-CG 4.21Å; F176-Y221 AromaticContact CD2-CD2 3.95Å; F176-Y221 HydrophobicContact CD2-CD2 3.95Å; F176-Y221 HydrophobicContact CE1-CD2 4.09Å; F176-Y221 HydrophobicContact CE1-CG 4.24Å; F176-Y221 HydrophobicContact CE2-CD2 4.4Å; F176-Y221 AromaticContact CG-CD2 3.53Å; F176-Y221 HydrophobicContact CG-CD2 3.53Å; F176-Y221 HydrophobicContact CG-CE2 4.27Å; F176-Y221 HydrophobicContact CG-CG 4.37Å; F176-Y221 HydrophobicContact CZ-CD2 4.47Å; F176-Y221 HydrophobicContact CZ-CG 4.43Å; A217-Y221 PolarHBondContact O-N 3.09Å; T218-Y221 PolarHBondContact O-N 3.44Å; M219-Y221 VanDerWaalsContact C-N 3.31Å; M219-Y221 PolarHBondContact O-N 3.5Å; Y221-A223 PolarHBondContact O-N 2.93Å; Y221-S224 PolarHBondContact O-N 3.31Å; Y221-Q225 VanDerWaalsContact CE1-OE1 3.24Å; Y221-Q225 WeakPolarHBondContact O-CB 3.28Å; Y221-Q225 PolarHBondContact O-N 3.31Å
222T97.2Very high95.8Very high11 Ų1143.3 Ų43.37%0.06722%0.217CC..Hα-helixtrans-66-40.3-175.958.10000112.4T218 M219 Q225 A226 N481 V484T218-T222 PolarHBondContact O-N 3.06Å; T218-T222 PolarHBondContact O-OG1 3.44Å; M219-T222 PolarHBondContact O-OG1 3.09Å; T222-Q225 PolarHBondContact O-N 3.42Å; T222-A226 WeakPolarHBondContact O-CB 3.39Å; T222-A226 PolarHBondContact O-N 2.85Å; T222-N481 PolarHBondContact OG1-OD1 3.46Å; T222-V484 HydrophobicContact CG2-CG2 3.86Å
223A97.8Very high95.9Very high0 Ų042.7 Ų42.70%021%0.21CC..Hα-helixtrans-68-38.6177.600000111.7M219 Y221 F227 N239 R240 V243 N481 F485M219-A223 WeakPolarHBondContact O-CB 3.39Å; M219-A223 PolarHBondContact O-N 2.87Å; Y221-A223 PolarHBondContact O-N 2.93Å; A223-F227 WeakPolarHBondContact O-CB 3.41Å; A223-F227 PolarHBondContact O-N 3.38Å; A223-N239 HydrophobicContact CB-CB 4.1Å; A223-R240 HydrophobicContact CB-CB 4.32Å; A223-V243 HydrophobicContact CB-CG2 4.46Å; A223-N481 VanDerWaalsContact CA-OD1 3.32Å; A223-N481 WeakPolarHBondContact CA-OD1 3.32Å; A223-N481 PolarHBondContact N-OD1 2.96Å; A223-F485 HydrophobicContact CB-CE2 4.41Å
224S98.1Very high95.9Very high4 Ų446.1 Ų46.13%0.02824%0.24CC..Hα-helixtrans-66.7-41.1174.6-61.10000111.8L220 Y221 F227 L228L220-S224 WeakPolarHBondContact O-CB 3.48Å; L220-S224 PolarHBondContact O-N 3Å; L220-S224 VanDerWaalsContact O-N 3.09Å; L220-S224 PolarHBondContact O-OG 3.01Å; Y221-S224 PolarHBondContact O-N 3.31Å; S224-F227 PolarHBondContact O-N 3.38Å; S224-L228 WeakPolarHBondContact O-CG 3.42Å; S224-L228 PolarHBondContact O-N 2.98Å
225Q97.6Very high96.2Very high28 Ų2838.5 Ų38.513%0.13121%0.209CC..Hα-helixtrans-65.5-43.1177.3-162.5-177.3-9.300111E169 L172 Y221 T222 F227 L228 R229 V477E169-Q225 HydrophobicContact CG-CG 4.26Å; L172-Q225 HydrophobicContact CD2-CB 3.88Å; L172-Q225 HydrophobicContact CD2-CG 4.43Å; Y221-Q225 VanDerWaalsContact CE1-OE1 3.24Å; Y221-Q225 WeakPolarHBondContact O-CB 3.28Å; Y221-Q225 PolarHBondContact O-N 3.31Å; T222-Q225 PolarHBondContact O-N 3.42Å; Q225-F227 VanDerWaalsContact C-N 3.34Å; Q225-F227 PolarHBondContact O-N 3.49Å; Q225-L228 PolarHBondContact O-N 2.98Å; Q225-R229 WeakPolarHBondContact O-CB 3.38Å; Q225-R229 PolarHBondContact O-N 2.72Å; Q225-V477 VanDerWaalsContact C-CG1 3.48Å; Q225-V477 HydrophobicContact CB-CG1 3.74Å; Q225-V477 HydrophobicContact CG-CG1 3.57Å; Q225-V477 HydrophobicContact CG-CG2 4.12Å
226A97.5Very high96.5Very high0 Ų035.6 Ų35.60%020%0.196CC..Hα-helixtrans-60.2-43.2176.200000111.8T222 R229 H230 T236 V477 N481T222-A226 WeakPolarHBondContact O-CB 3.39Å; T222-A226 PolarHBondContact O-N 2.85Å; A226-R229 PolarHBondContact O-N 3.1Å; A226-H230 PolarHBondContact O-N 3.26Å; A226-T236 HydrophobicContact CB-CG2 4.23Å; A226-V477 HydrophobicContact CB-CG1 4.11Å; A226-V477 VanDerWaalsContact N-CG1 3.34Å; A226-N481 HydrophobicContact CB-CB 4.2Å
227F97.8Very high96.6Very high27 Ų2741.7 Ų41.712%0.11822%0.219CC..Hα-helixtrans-64.6-41.9175.8175.8-96.6000113.3A223 S224 Q225 R229 H230 P231 T236 R237 R240A223-F227 WeakPolarHBondContact O-CB 3.41Å; A223-F227 PolarHBondContact O-N 3.38Å; S224-F227 PolarHBondContact O-N 3.38Å; Q225-F227 VanDerWaalsContact C-N 3.34Å; Q225-F227 PolarHBondContact O-N 3.49Å; F227-R229 VanDerWaalsContact C-N 3.32Å; F227-R229 PolarHBondContact O-N 2.88Å; F227-H230 CarbonylContact O-C 3.49Å; F227-P231 VanDerWaalsContact O-CA 3.28Å; F227-P231 WeakPolarHBondContact O-CA 3.24Å; F227-P231 VanDerWaalsContact O-N 3.14Å; F227-T236 WeakPolarHBondContact CD2-OG1 3.33Å; F227-R237 HydrophobicContact CD2-CB 3.81Å; F227-R237 HydrophobicContact CD2-CG 4.43Å; F227-R237 HydrophobicContact CE2-CB 3.75Å; F227-R237 HydrophobicContact CE2-CG 4.07Å; F227-R240 HydrophobicContact CB-CB 4.31Å
228L97.3Very high96.8Very high40 Ų4042.3 Ų42.321%0.20922%0.224CC..Hα-helixtrans-66-36.2178-74.1174.2000112.4A166 L172 S224 Q225A166-L228 HydrophobicContact CB-CD1 4.36Å; A166-L228 WeakPolarHBondContact O-CD2 3.31Å; L172-L228 HydrophobicContact CB-CD1 3.74Å; L172-L228 HydrophobicContact CD2-CD1 3.81Å; L172-L228 HydrophobicContact CG-CD1 4.28Å; S224-L228 WeakPolarHBondContact O-CG 3.42Å; S224-L228 PolarHBondContact O-N 2.98Å; Q225-L228 PolarHBondContact O-N 2.98Å
229R96.9Very high97.1Very high150 Ų15038.4 Ų38.457%0.56620%0.2SC*.Hα-helixtrans-77.8-37.2-179.4-172.361.1169.6-169.22.6112.7E169 Q225 A226 F227 P231E169-R229 WeakPolarHBondContact OE1-CD 3.44Å; E169-R229 IonicContact OE1-NH1 3.48Å; Q225-R229 WeakPolarHBondContact O-CB 3.38Å; Q225-R229 PolarHBondContact O-N 2.72Å; A226-R229 PolarHBondContact O-N 3.1Å; F227-R229 VanDerWaalsContact C-N 3.32Å; F227-R229 PolarHBondContact O-N 2.88Å; R229-P231 VanDerWaalsContact C-CD 3.45Å
230H97.1Very high97.1Very high18 Ų1839.8 Ų39.88%0.08321%0.205CC..  trans-130.161.7-175-53.7-66.6000112A226 F227 D232 V233 T236 R472 S475A226-H230 PolarHBondContact O-N 3.26Å; F227-H230 CarbonylContact O-C 3.49Å; H230-D232 PolarHBondContact O-N 3.34Å; H230-V233 HydrophobicContact CB-CB 4.38Å; H230-V233 HydrophobicContact CB-CG2 4.05Å; H230-V233 PolarHBondContact O-N 3.36Å; H230-V233 VanDerWaalsContact O-N 3.11Å; H230-T236 HydrophobicContact CB-CG2 4.31Å; H230-T236 PolarHBondContact O-OG1 2.81Å; H230-R472 HydrophobicContact CB-CG 4.45Å; H230-R472 WeakPolarHBondContact ND1-CD 3.5Å; H230-R472 WeakPolarHBondContact ND1-CG 3.4Å; H230-S475 VanDerWaalsContact NE2-CB 3.33Å; H230-S475 WeakPolarHBondContact NE2-CB 3.29Å; H230-S475 PolarHBondContact NE2-OG 3.17Å
231P95.3Very high97.1Very high73 Ų7342.9 Ų42.947%0.47422%0.222SC..THydrogen-bonded Turntrans-67.7-16.2-175.728.7-36.7000113.7F227 R229 V233F227-P231 VanDerWaalsContact O-CA 3.28Å; F227-P231 WeakPolarHBondContact O-CA 3.24Å; F227-P231 VanDerWaalsContact O-N 3.14Å; R229-P231 VanDerWaalsContact C-CD 3.45Å; P231-V233 VanDerWaalsContact C-N 3.34Å
232D96.1Very high97.1Very high106 Ų10641.4 Ų41.457%0.56722%0.216SC*.THydrogen-bonded Turntrans-76-20.3175.560.3-55000113H230 A234 R472H230-D232 PolarHBondContact O-N 3.34Å; D232-A234 PolarHBondContact O-N 2.94Å; D232-R472 IonicContact OD2-CZ 2.72Å; D232-R472 IonicContact OD2-NH2 3.39Å; D232-R472 PolarHBondContact OD2-NH2 3.48Å
233V96.2Very high97.1Very high18 Ų1840.9 Ų40.911%0.10921%0.213CC..  trans-88.7104.9177.6-178.80000109.4H230 P231 A235 T236 A471 R472H230-V233 HydrophobicContact CB-CB 4.38Å; H230-V233 HydrophobicContact CB-CG2 4.05Å; H230-V233 PolarHBondContact O-N 3.36Å; H230-V233 VanDerWaalsContact O-N 3.11Å; P231-V233 VanDerWaalsContact C-N 3.34Å; V233-A235 HydrophobicContact CG1-CB 4.19Å; V233-A235 PolarHBondContact O-N 2.87Å; V233-A235 VanDerWaalsContact O-N 3.07Å; V233-T236 HydrophobicContact CB-CG2 4.08Å; V233-T236 HydrophobicContact CG1-CG2 4.25Å; V233-T236 PolarHBondContact O-N 3.43Å; V233-T236 PolarHBondContact O-OG1 2.67Å; V233-A471 HydrophobicContact CG1-CB 4.4Å; V233-A471 HydrophobicContact CG2-CB 4.06Å; V233-R472 HydrophobicContact CG2-CG 4.4Å
234A95.3Very high97.1Very high82 Ų8241 Ų4168%0.67821%0.213SC*.Hα-helixtrans-54-32.9-175.800000114.3D232 T236 R237 A238D232-A234 PolarHBondContact O-N 2.94Å; A234-T236 VanDerWaalsContact C-N 3.28Å; A234-T236 PolarHBondContact O-N 3.25Å; A234-R237 WeakPolarHBondContact O-CB 3.4Å; A234-R237 PolarHBondContact O-N 3.46Å; A234-A238 PolarHBondContact O-N 3.28Å
235A96.9Very high97Very high11 Ų1146.3 Ų46.39%0.09124%0.236CC..Hα-helixtrans-61.9-32179.600000113.5V233 R237 A238 N239 N464 L467V233-A235 HydrophobicContact CG1-CB 4.19Å; V233-A235 PolarHBondContact O-N 2.87Å; V233-A235 VanDerWaalsContact O-N 3.07Å; A235-R237 VanDerWaalsContact C-N 3.33Å; A235-R237 PolarHBondContact O-N 3.16Å; A235-A238 PolarHBondContact O-N 2.93Å; A235-N239 PolarHBondContact O-N 2.95Å; A235-N464 HydrophobicContact CB-CB 3.95Å; A235-N464 WeakPolarHBondContact CB-O 3.23Å; A235-L467 HydrophobicContact CB-CB 4.18Å
236T97.7Very high97Very high1 Ų147 Ų471%0.00624%0.239CC..Hα-helixtrans-63.8-39.7177.161.80000111.9A226 F227 H230 V233 A234 R240 T468A226-T236 HydrophobicContact CB-CG2 4.23Å; F227-T236 WeakPolarHBondContact CD2-OG1 3.33Å; H230-T236 HydrophobicContact CB-CG2 4.31Å; H230-T236 PolarHBondContact O-OG1 2.81Å; V233-T236 HydrophobicContact CB-CG2 4.08Å; V233-T236 HydrophobicContact CG1-CG2 4.25Å; V233-T236 PolarHBondContact O-N 3.43Å; V233-T236 PolarHBondContact O-OG1 2.67Å; A234-T236 VanDerWaalsContact C-N 3.28Å; A234-T236 PolarHBondContact O-N 3.25Å; T236-R240 WeakPolarHBondContact O-CB 3.5Å; T236-R240 PolarHBondContact O-N 3.3Å; T236-T468 HydrophobicContact CG2-CG2 3.42Å; T236-T468 VanDerWaalsContact CG2-CG2 3.42Å
237R97.1Very high96.9Very high131 Ų13147.1 Ų47.149%0.49424%0.24SC..Hα-helixtrans-64.1-44.6176.7-174.3179-65.3173.43.2110.6F227 A234 A235 R240 D241F227-R237 HydrophobicContact CD2-CB 3.81Å; F227-R237 HydrophobicContact CD2-CG 4.43Å; F227-R237 HydrophobicContact CE2-CB 3.75Å; F227-R237 HydrophobicContact CE2-CG 4.07Å; A234-R237 WeakPolarHBondContact O-CB 3.4Å; A234-R237 PolarHBondContact O-N 3.46Å; A235-R237 VanDerWaalsContact C-N 3.33Å; A235-R237 PolarHBondContact O-N 3.16Å; R237-R240 PolarHBondContact O-N 3.26Å; R237-D241 WeakPolarHBondContact CG-OD2 2.99Å; R237-D241 VanDerWaalsContact O-CB 3.31Å; R237-D241 WeakPolarHBondContact O-CB 3.45Å; R237-D241 PolarHBondContact O-N 3Å
238A97.3Very high96.9Very high37 Ų3750 Ų5031%0.30625%0.254SS..Hα-helixtrans-60.7-46.2179.400000112.1A234 A235 Y242 N464A234-A238 PolarHBondContact O-N 3.28Å; A235-A238 PolarHBondContact O-N 2.93Å; A238-Y242 WeakPolarHBondContact O-CB 3.3Å; A238-Y242 PolarHBondContact O-N 3.1Å; A238-N464 VanDerWaalsContact CB-ND2 3.35Å; A238-N464 WeakPolarHBondContact CB-ND2 3.16Å
239N97.5Very high96.7Very high0 Ų052.2 Ų52.20%026%0.263CS..Hα-helixtrans-58.9-50.7173.9-77.7159.6000111.9A223 A235 D241 Y242 V243 Q461 N464 A465 N481 F485A223-N239 HydrophobicContact CB-CB 4.1Å; A235-N239 PolarHBondContact O-N 2.95Å; N239-D241 PolarHBondContact O-N 3.39Å; N239-Y242 PolarHBondContact O-N 3.26Å; N239-V243 WeakPolarHBondContact O-CG2 3.36Å; N239-V243 PolarHBondContact O-N 3.46Å; N239-Q461 VanDerWaalsContact ND2-CA 3.35Å; N239-Q461 WeakPolarHBondContact ND2-CA 3.26Å; N239-Q461 PolarHBondContact ND2-O 3.37Å; N239-Q461 PolarHBondContact ND2-OE1 3.02Å; N239-Q461 VanDerWaalsContact ND2-OE1 3.15Å; N239-N464 VanDerWaalsContact ND2-CB 3.28Å; N239-N464 WeakPolarHBondContact ND2-CB 3.47Å; N239-A465 WeakPolarHBondContact OD1-CA 3.19Å; N239-A465 PolarHBondContact OD1-N 2.7Å; N239-N481 PolarHBondContact OD1-ND2 3.17Å; N239-F485 HydrophobicContact CB-CE2 3.99Å; N239-F485 HydrophobicContact CB-CZ 4Å
240R97.3Very high96.7Very high33 Ų3345.4 Ų45.413%0.12524%0.238CC..Hα-helixtrans-58.8-51.8-178-173.6-162.466.7171.4-4.2110.9A223 F227 T236 R237 Y242 V243 F244A223-R240 HydrophobicContact CB-CB 4.32Å; F227-R240 HydrophobicContact CB-CB 4.31Å; T236-R240 WeakPolarHBondContact O-CB 3.5Å; T236-R240 PolarHBondContact O-N 3.3Å; R237-R240 PolarHBondContact O-N 3.26Å; R240-Y242 VanDerWaalsContact C-N 3.34Å; R240-Y242 PolarHBondContact O-N 3.27Å; R240-V243 PolarHBondContact O-N 3.11Å; R240-F244 HydrophobicContact CG-CD2 3.74Å; R240-F244 HydrophobicContact CG-CE2 3.54Å; R240-F244 WeakPolarHBondContact O-CD2 3.29Å; R240-F244 PolarHBondContact O-N 2.9Å
241D97.1Very high96.6Very high65 Ų6544.5 Ų44.535%0.34823%0.234SC..Hα-helixtrans-66.4-36.2-175.5-66.2-4.8000111.6R237 N239 K245R237-D241 WeakPolarHBondContact CG-OD2 2.99Å; R237-D241 VanDerWaalsContact O-CB 3.31Å; R237-D241 WeakPolarHBondContact O-CB 3.45Å; R237-D241 PolarHBondContact O-N 3Å; N239-D241 PolarHBondContact O-N 3.39Å; D241-K245 PolarHBondContact O-N 2.87Å
242Y97.6Very high96.5Very high34 Ų3443 Ų4313%0.13323%0.228CC..Hα-helixtrans-57.8-52.8170.1168.5-94.4000111.4A238 N239 R240 F244 K245 Q246 S457 Q461A238-Y242 WeakPolarHBondContact O-CB 3.3Å; A238-Y242 PolarHBondContact O-N 3.1Å; N239-Y242 PolarHBondContact O-N 3.26Å; R240-Y242 VanDerWaalsContact C-N 3.34Å; R240-Y242 PolarHBondContact O-N 3.27Å; Y242-F244 VanDerWaalsContact C-N 3.32Å; Y242-F244 PolarHBondContact O-N 3.42Å; Y242-K245 WeakPolarHBondContact O-CB 3.35Å; Y242-K245 PolarHBondContact O-N 3.42Å; Y242-K245 VanDerWaalsContact O-N 3.1Å; Y242-Q246 HydrophobicContact CD1-CG 4.16Å; Y242-Q246 HydrophobicContact CD2-CG 4.36Å; Y242-Q246 HydrophobicContact CE1-CG 3.71Å; Y242-Q246 HydrophobicContact CE2-CG 3.94Å; Y242-Q246 HydrophobicContact CG-CG 4.47Å; Y242-Q246 WeakPolarHBondContact O-CG 3.48Å; Y242-Q246 PolarHBondContact O-N 2.86Å; Y242-S457 PolarHBondContact OH-OG 2.9Å; Y242-Q461 HydrophobicContact CD1-CG 3.61Å; Y242-Q461 HydrophobicContact CD2-CG 3.96Å; Y242-Q461 HydrophobicContact CE1-CG 3.84Å; Y242-Q461 HydrophobicContact CE2-CG 4.15Å; Y242-Q461 HydrophobicContact CG-CG 3.67Å
243V97.5Very high96.4Very high0 Ų038.9 Ų38.90%021%0.21CC..Hα-helixtrans-64.8-38.9-176.6-176.70000111.2N216 M219 L220 A223 N239 R240 K245 Q246 V247 F485N216-V243 HydrophobicContact CB-CG1 4.16Å; N216-V243 WeakPolarHBondContact O-CG1 3.37Å; M219-V243 HydrophobicContact CB-CG1 3.9Å; M219-V243 HydrophobicContact CB-CG2 3.76Å; L220-V243 HydrophobicContact CB-CG1 3.79Å; L220-V243 HydrophobicContact CD1-CG1 4.16Å; A223-V243 HydrophobicContact CB-CG2 4.46Å; N239-V243 WeakPolarHBondContact O-CG2 3.36Å; N239-V243 PolarHBondContact O-N 3.46Å; R240-V243 PolarHBondContact O-N 3.11Å; V243-K245 VanDerWaalsContact C-N 3.32Å; V243-K245 PolarHBondContact O-N 2.98Å; V243-Q246 PolarHBondContact O-N 2.68Å; V243-V247 HydrophobicContact CG1-CG2 4.41Å; V243-V247 WeakPolarHBondContact O-CG2 3.48Å; V243-V247 PolarHBondContact O-N 3.4Å; V243-F485 HydrophobicContact CG2-CZ 3.95Å
244F97.2Very high96.4Very high3 Ų338 Ų381%0.01321%0.205CC..Hα-helixtrans-55.9-47.4172.1-89.5-71.6000111.9L160 V163 K164 L220 R240 Y242 Q246 V247 Q248L160-F244 HydrophobicContact CD1-CD1 3.63Å; L160-F244 HydrophobicContact CD1-CE1 3.5Å; L160-F244 HydrophobicContact CD2-CD1 4.45Å; L160-F244 HydrophobicContact CG-CD1 3.88Å; L160-F244 HydrophobicContact CG-CE1 3.94Å; L160-F244 WeakPolarHBondContact O-CE1 3.44Å; V163-F244 HydrophobicContact CB-CZ 4.41Å; V163-F244 HydrophobicContact CG1-CE1 4.5Å; V163-F244 HydrophobicContact CG1-CZ 4.03Å; K164-F244 HydrophobicContact CB-CD1 4.03Å; K164-F244 HydrophobicContact CB-CE1 3.4Å; K164-F244 VanDerWaalsContact CB-CE1 3.4Å; K164-F244 HydrophobicContact CB-CE2 3.99Å; K164-F244 HydrophobicContact CB-CZ 3.41Å; K164-F244 VanDerWaalsContact CB-CZ 3.41Å; K164-F244 HydrophobicContact CD-CD1 4.23Å; K164-F244 HydrophobicContact CD-CE1 4.42Å; K164-F244 HydrophobicContact CD-CG 4.33Å; K164-F244 HydrophobicContact CG-CD1 4.21Å; K164-F244 HydrophobicContact CG-CD2 4.11Å; K164-F244 HydrophobicContact CG-CE1 3.98Å; K164-F244 HydrophobicContact CG-CE2 3.89Å; K164-F244 HydrophobicContact CG-CG 4.3Å; K164-F244 HydrophobicContact CG-CZ 3.85Å; K164-F244 VanDerWaalsContact N-CZ 3.31Å; L220-F244 HydrophobicContact CD1-CD1 3.85Å; L220-F244 HydrophobicContact CD1-CD2 3.89Å; L220-F244 HydrophobicContact CD1-CE1 3.62Å; L220-F244 HydrophobicContact CD1-CE2 3.66Å; L220-F244 HydrophobicContact CD1-CG 3.94Å; L220-F244 HydrophobicContact CD1-CZ 3.5Å; L220-F244 VanDerWaalsContact CD1-CZ 3.5Å; L220-F244 HydrophobicContact CG-CZ 4.46Å; R240-F244 HydrophobicContact CG-CD2 3.74Å; R240-F244 HydrophobicContact CG-CE2 3.54Å; R240-F244 WeakPolarHBondContact O-CD2 3.29Å; R240-F244 PolarHBondContact O-N 2.9Å; Y242-F244 VanDerWaalsContact C-N 3.32Å; Y242-F244 PolarHBondContact O-N 3.42Å; F244-Q246 PolarHBondContact O-N 3.22Å; F244-V247 PolarHBondContact O-N 3.34Å; F244-Q248 WeakPolarHBondContact O-CG 3.23Å; F244-Q248 PolarHBondContact O-N 3.47Å
245K96.7Very high96.4Very high115 Ų11535.5 Ų35.550%0.518%0.183SC..Hα-helixtrans-60.4-44.8177.9-167.5-173.4-177.4-112.20111.5D241 Y242 V243 V247 Q248 E249D241-K245 PolarHBondContact O-N 2.87Å; Y242-K245 WeakPolarHBondContact O-CB 3.35Å; Y242-K245 PolarHBondContact O-N 3.42Å; Y242-K245 VanDerWaalsContact O-N 3.1Å; V243-K245 VanDerWaalsContact C-N 3.32Å; V243-K245 PolarHBondContact O-N 2.98Å; K245-V247 VanDerWaalsContact C-N 3.31Å; K245-V247 PolarHBondContact O-N 2.95Å; K245-Q248 PolarHBondContact O-N 2.9Å; K245-E249 WeakPolarHBondContact CE-OE1 3.26Å; K245-E249 IonicContact NZ-OE1 3.18Å; K245-E249 PolarHBondContact NZ-OE1 3.19Å; K245-E249 WeakPolarHBondContact O-CG 3.48Å; K245-E249 PolarHBondContact O-N 3.45Å
246Q96.5Very high96.1Very high44 Ų4437.1 Ų37.121%0.20619%0.19CC..Hα-helixtrans-62.5-36.9178-64.3-57109.500112.6N216 Y242 V243 F244 E249 A250N216-Q246 VanDerWaalsContact ND2-CB 3.29Å; N216-Q246 WeakPolarHBondContact ND2-CB 3.46Å; Y242-Q246 HydrophobicContact CD1-CG 4.16Å; Y242-Q246 HydrophobicContact CD2-CG 4.36Å; Y242-Q246 HydrophobicContact CE1-CG 3.71Å; Y242-Q246 HydrophobicContact CE2-CG 3.94Å; Y242-Q246 HydrophobicContact CG-CG 4.47Å; Y242-Q246 WeakPolarHBondContact O-CG 3.48Å; Y242-Q246 PolarHBondContact O-N 2.86Å; V243-Q246 PolarHBondContact O-N 2.68Å; F244-Q246 PolarHBondContact O-N 3.22Å; Q246-E249 PolarHBondContact OE1-OE2 3.33Å; Q246-A250 WeakPolarHBondContact O-CB 3.45Å; Q246-A250 PolarHBondContact O-N 3.49Å; Q246-A250 VanDerWaalsContact O-N 3.09Å
247V96.9Very high95.9Very high1 Ų137.1 Ų37.11%0.00619%0.19CC..Hα-helixtrans-67.8-43.4174.5179.20000110.5L160 F179 L213 N216 L220 V243 F244 K245 E249 A250 I251L160-V247 HydrophobicContact CD1-CB 4.27Å; L160-V247 HydrophobicContact CD1-CG1 3.84Å; L160-V247 HydrophobicContact CD2-CB 4.03Å; L160-V247 HydrophobicContact CD2-CG1 3.58Å; L160-V247 HydrophobicContact CG-CG1 4.33Å; F179-V247 HydrophobicContact CZ-CG1 4.24Å; L213-V247 HydrophobicContact CD2-CG1 3.71Å; N216-V247 HydrophobicContact CB-CG2 3.6Å; L220-V247 HydrophobicContact CD2-CG2 4.45Å; V243-V247 HydrophobicContact CG1-CG2 4.41Å; V243-V247 WeakPolarHBondContact O-CG2 3.48Å; V243-V247 PolarHBondContact O-N 3.4Å; F244-V247 PolarHBondContact O-N 3.34Å; K245-V247 VanDerWaalsContact C-N 3.31Å; K245-V247 PolarHBondContact O-N 2.95Å; V247-E249 PolarHBondContact O-N 2.95Å; V247-A250 PolarHBondContact O-N 3.39Å; V247-I251 HydrophobicContact CG1-CD1 4.21Å; V247-I251 WeakPolarHBondContact O-CG1 3.22Å; V247-I251 PolarHBondContact O-N 2.92Å
248Q96.5Very high95.6Very high89 Ų8930.9 Ų30.942%0.41617%0.167SC..Hα-helixtrans-61.6-43.6176.8-71.9179.5-49.200112.4L160 F244 K245 A250 I251 A252L160-Q248 HydrophobicContact CD2-CG 3.78Å; F244-Q248 WeakPolarHBondContact O-CG 3.23Å; F244-Q248 PolarHBondContact O-N 3.47Å; K245-Q248 PolarHBondContact O-N 2.9Å; Q248-A250 VanDerWaalsContact C-N 3.3Å; Q248-A250 PolarHBondContact O-N 2.92Å; Q248-I251 PolarHBondContact O-N 3.33Å; Q248-A252 WeakPolarHBondContact O-CB 3.38Å; Q248-A252 PolarHBondContact O-N 2.86Å
249E94.6Very high95.2Very high86 Ų8629.3 Ų29.340%0.40215%0.153SC..Hα-helixtrans-61.9-39175.5-73.5175.7-176.600111.7K245 Q246 V247 A252 G253K245-E249 WeakPolarHBondContact CE-OE1 3.26Å; K245-E249 IonicContact NZ-OE1 3.18Å; K245-E249 PolarHBondContact NZ-OE1 3.19Å; K245-E249 WeakPolarHBondContact O-CG 3.48Å; K245-E249 PolarHBondContact O-N 3.45Å; Q246-E249 PolarHBondContact OE1-OE2 3.33Å; V247-E249 PolarHBondContact O-N 2.95Å; E249-A252 PolarHBondContact O-N 3.28Å; E249-G253 PolarHBondContact O-N 2.87Å
250A95.6Very high94.5Very high6 Ų631.2 Ų31.25%0.0517%0.169CC..Hα-helixtrans-68.1-39.4176.200000112.5A212 L213 Q246 V247 Q248 G253 I254A212-A250 HydrophobicContact CB-CB 3.91Å; L213-A250 HydrophobicContact CD2-CB 3.73Å; L213-A250 HydrophobicContact CG-CB 3.72Å; Q246-A250 WeakPolarHBondContact O-CB 3.45Å; Q246-A250 PolarHBondContact O-N 3.49Å; Q246-A250 VanDerWaalsContact O-N 3.09Å; V247-A250 PolarHBondContact O-N 3.39Å; Q248-A250 VanDerWaalsContact C-N 3.3Å; Q248-A250 PolarHBondContact O-N 2.92Å; A250-G253 PolarHBondContact O-N 3.08Å; A250-I254 WeakPolarHBondContact O-CG1 3.42Å; A250-I254 PolarHBondContact O-N 3Å
251I96.1Very high93.7Very high0 Ų031.9 Ų31.90%018%0.176CC..Hα-helixtrans-60.8-47.5171.6-66.4172.8000110.3L153 V156 E157 L160 L213 V247 Q248 G253 I254 S255L153-I251 HydrophobicContact CB-CG2 4.26Å; L153-I251 HydrophobicContact CD2-CB 4.4Å; L153-I251 HydrophobicContact CD2-CG2 3.67Å; V156-I251 HydrophobicContact CG1-CD1 3.89Å; V156-I251 HydrophobicContact CG1-CG1 4.45Å; E157-I251 HydrophobicContact CG-CD1 3.83Å; E157-I251 HydrophobicContact CG-CG2 3.6Å; E157-I251 WeakPolarHBondContact OE1-CG2 3.11Å; L160-I251 HydrophobicContact CD2-CD1 4.02Å; L213-I251 HydrophobicContact CD2-CG1 4Å; V247-I251 HydrophobicContact CG1-CD1 4.21Å; V247-I251 WeakPolarHBondContact O-CG1 3.22Å; V247-I251 PolarHBondContact O-N 2.92Å; Q248-I251 PolarHBondContact O-N 3.33Å; I251-G253 VanDerWaalsContact C-N 3.29Å; I251-G253 PolarHBondContact O-N 3.09Å; I251-I254 PolarHBondContact O-N 2.84Å; I251-S255 PolarHBondContact O-N 3.46Å
252A93.8Very high92.3Very high40 Ų4029.9 Ų29.933%0.33117%0.167SC..Hα-helixtrans-61.4-37.8177.200000112Q248 E249 S255 N256Q248-A252 WeakPolarHBondContact O-CB 3.38Å; Q248-A252 PolarHBondContact O-N 2.86Å; E249-A252 PolarHBondContact O-N 3.28Å; A252-S255 WeakPolarHBondContact O-CB 3.42Å; A252-S255 PolarHBondContact O-N 2.99Å; A252-N256 WeakPolarHBondContact O-CB 3.47Å; A252-N256 VanDerWaalsContact O-CG 3.27Å; A252-N256 PolarHBondContact O-N 3.07Å; A252-N256 PolarHBondContact O-ND2 3.47Å
253G93.5Very high90.6Very high20 Ų2032.4 Ų32.421%0.20619%0.188CC..Hα-helixtrans-59.4-47.8173.900000112.7E249 A250 I251 S255 N256 A257E249-G253 PolarHBondContact O-N 2.87Å; A250-G253 PolarHBondContact O-N 3.08Å; I251-G253 VanDerWaalsContact C-N 3.29Å; I251-G253 PolarHBondContact O-N 3.09Å; G253-S255 VanDerWaalsContact C-N 3.31Å; G253-S255 PolarHBondContact O-N 3.03Å; G253-N256 PolarHBondContact O-N 3.44Å; G253-A257 VanDerWaalsContact O-CB 3.3Å; G253-A257 WeakPolarHBondContact O-CB 3.4Å; G253-A257 PolarHBondContact O-N 3.15Å
254I95.5Very high88.7Confident1 Ų137.2 Ų37.21%0.00522%0.217CC..Hα-helixtrans-61.7-42.3174.5-61.9177.1000110.6L149 L153 A190 M206 A209 R210 L213 A250 I251 A258L149-I254 HydrophobicContact CD1-CG2 4.46Å; L149-I254 HydrophobicContact CD2-CG2 4.5Å; L153-I254 HydrophobicContact CD1-CB 4.45Å; L153-I254 HydrophobicContact CD1-CG2 4.06Å; L153-I254 HydrophobicContact CD2-CB 3.96Å; L153-I254 HydrophobicContact CD2-CG2 3.96Å; L153-I254 HydrophobicContact CG-CG2 4.45Å; A190-I254 HydrophobicContact CB-CD1 4.49Å; A190-I254 HydrophobicContact CB-CG2 4.11Å; M206-I254 HydrophobicContact CE-CG2 4.13Å; A209-I254 HydrophobicContact CB-CG1 3.64Å; R210-I254 HydrophobicContact CG-CD1 3.86Å; R210-I254 HydrophobicContact CG-CG1 4.37Å; L213-I254 HydrophobicContact CD1-CD1 3.47Å; L213-I254 VanDerWaalsContact CD1-CD1 3.47Å; L213-I254 HydrophobicContact CG-CD1 4.46Å; A250-I254 WeakPolarHBondContact O-CG1 3.42Å; A250-I254 PolarHBondContact O-N 3Å; I251-I254 PolarHBondContact O-N 2.84Å; I254-A258 WeakPolarHBondContact O-CB 3.28Å; I254-A258 PolarHBondContact O-N 3.04Å
255S94.5Very high86.6Confident29 Ų2938.2 Ų38.220%0.20322%0.223CC..Hα-helixtrans-60.1-45.4178.4-1740000112.4L150 I251 A252 G253 Q259L150-S255 WeakPolarHBondContact CD2-OG 3.32Å; I251-S255 PolarHBondContact O-N 3.46Å; A252-S255 WeakPolarHBondContact O-CB 3.42Å; A252-S255 PolarHBondContact O-N 2.99Å; G253-S255 VanDerWaalsContact C-N 3.31Å; G253-S255 PolarHBondContact O-N 3.03Å; S255-Q259 WeakPolarHBondContact O-CB 3.35Å; S255-Q259 WeakPolarHBondContact O-CG 3.47Å; S255-Q259 PolarHBondContact O-N 3.23Å; S255-Q259 PolarHBondContact O-NE2 3.05Å; S255-Q259 VanDerWaalsContact O-NE2 3.11Å; S255-Q259 PolarHBondContact OG-NE2 2.9Å
256N92.3Very high84.4Confident45 Ų4540.4 Ų40.424%0.24124%0.235CC..Hα-helixtrans-70.1-44.4-179.9-69.7-28.2000111.8A252 G253 Q259 A260 T261A252-N256 WeakPolarHBondContact O-CB 3.47Å; A252-N256 VanDerWaalsContact O-CG 3.27Å; A252-N256 PolarHBondContact O-N 3.07Å; A252-N256 PolarHBondContact O-ND2 3.47Å; G253-N256 PolarHBondContact O-N 3.44Å; N256-Q259 CarbonylContact O-C 3.58Å; N256-Q259 PolarHBondContact O-N 3.15Å; N256-A260 WeakPolarHBondContact O-CA 3.34Å; N256-A260 PolarHBondContact O-N 3.45Å; N256-T261 PolarHBondContact O-N 3.39Å; N256-T261 PolarHBondContact OD1-OG1 3.41Å
257A91.8Very high82.1Confident0 Ų042 Ų420%026%0.256CS..Hα-helixtrans-64.7-39.8177.600000112.2E205 M206 G253 Q259 A260E205-A257 HydrophobicContact CB-CB 4.08Å; M206-A257 HydrophobicContact CB-CB 3.91Å; M206-A257 HydrophobicContact CE-CB 4.11Å; G253-A257 VanDerWaalsContact O-CB 3.3Å; G253-A257 WeakPolarHBondContact O-CB 3.4Å; G253-A257 PolarHBondContact O-N 3.15Å; A257-Q259 PolarHBondContact O-N 3.1Å; A257-A260 PolarHBondContact O-N 3.17Å
258A91.7Very high80.1Confident1 Ų147.1 Ų47.11%0.00828%0.278CS..Hα-helixtrans-62-35176.200000112.7L149 M206 I254L149-A258 HydrophobicContact CD2-CB 3.57Å; L149-A258 HydrophobicContact CG-CB 4.5Å; M206-A258 HydrophobicContact CE-CB 3.63Å; I254-A258 WeakPolarHBondContact O-CB 3.28Å; I254-A258 PolarHBondContact O-N 3.04Å
259Q89.2Confident78.3Confident4 Ų445.1 Ų45.12%0.01928%0.281CS..THydrogen-bonded Turntrans-95.1-0.5-179.2-65.6178.886.200113.3R20 V146 L150 S255 N256 A257 T261R20-Q259 PolarHBondContact NH1-O 2.98Å; V146-Q259 HydrophobicContact CG1-CG 3.95Å; L150-Q259 HydrophobicContact CD1-CG 4.19Å; L150-Q259 HydrophobicContact CD2-CG 4.28Å; S255-Q259 WeakPolarHBondContact O-CB 3.35Å; S255-Q259 WeakPolarHBondContact O-CG 3.47Å; S255-Q259 PolarHBondContact O-N 3.23Å; S255-Q259 PolarHBondContact O-NE2 3.05Å; S255-Q259 VanDerWaalsContact O-NE2 3.11Å; S255-Q259 PolarHBondContact OG-NE2 2.9Å; N256-Q259 CarbonylContact O-C 3.58Å; N256-Q259 PolarHBondContact O-N 3.15Å; A257-Q259 PolarHBondContact O-N 3.1Å; Q259-T261 HydrophobicContact CB-CG2 3.88Å; Q259-T261 WeakPolarHBondContact O-CG2 3.32Å; Q259-T261 PolarHBondContact O-N 3.06Å
260A83Confident76.9Confident40 Ų4043 Ų4333%0.33127%0.271SS..THydrogen-bonded Turntrans47.243.5-172.600000112.7N256 A257N256-A260 WeakPolarHBondContact O-CA 3.34Å; N256-A260 PolarHBondContact O-N 3.45Å; A257-A260 PolarHBondContact O-N 3.17Å
261T79.6Confident75.4Confident46 Ų4645.5 Ų45.528%0.28229%0.286SS..  trans-107.55.4179.460.20000113.6K11 N256 Q259K11-T261 HydrophobicContact CB-CG2 3.7Å; K11-T261 HydrophobicContact CD-CG2 3.94Å; N256-T261 PolarHBondContact O-N 3.39Å; N256-T261 PolarHBondContact OD1-OG1 3.41Å; Q259-T261 HydrophobicContact CB-CG2 3.88Å; Q259-T261 WeakPolarHBondContact O-CG2 3.32Å; Q259-T261 PolarHBondContact O-N 3.06Å
262S68.5Low74.6Confident23 Ų2346.6 Ų46.616%0.16130%0.297CS..SBendtrans-61.4133.9175-60.30000109.2E205 T264E205-S262 WeakPolarHBondContact OE2-CB 3.4Å; E205-S262 PolarHBondContact OE2-OG 3.3Å; S262-T264 PolarHBondContact O-N 3.06Å
263P61.6Low74.2Confident88 Ų8847.3 Ų47.357%0.57130%0.295SS*.PPolyproline II helixtrans-55.5133.8162.9-15.127.7000107.7D265 A267P263-D265 PolarHBondContact O-N 2.82Å; P263-A267 HydrophobicContact CB-CB 4.12Å
264T57.5Low74Confident100 Ų10046.4 Ų46.461%0.61329%0.285SS*.PPolyproline II helixtrans-50.1139.6168.733.40000109.3S262 E266 A267S262-T264 PolarHBondContact O-N 3.06Å; T264-E266 PolarHBondContact O-N 3.32Å; T264-A267 PolarHBondContact O-N 2.87Å
265D53.9Low73.8Confident25 Ų2553.1 Ų53.113%0.13432%0.317CS..G310 helixtrans-51.9-12.8-167.3-89.9-32.5000116.1H201 P263 A267 K268 T271 K446H201-D265 VanDerWaalsContact CE1-CG 3.4Å; H201-D265 IonicContact CE1-OD1 3.61Å; H201-D265 IonicContact CE1-OD2 2.74Å; H201-D265 PolarHBondContact CE1-OD2 3.21Å; H201-D265 IonicContact ND1-OD2 3.67Å; H201-D265 PolarHBondContact ND1-OD2 3.15Å; P263-D265 PolarHBondContact O-N 2.82Å; D265-A267 PolarHBondContact O-N 3.38Å; D265-K268 PolarHBondContact O-N 3.12Å; D265-K268 IonicContact OD1-NZ 3.68Å; D265-K268 PolarHBondContact OD1-NZ 2.86Å; D265-T271 HydrophobicContact CB-CG2 4Å; D265-K446 WeakPolarHBondContact OD2-CE 3.44Å; D265-K446 IonicContact OD2-NZ 2.66Å; D265-K446 PolarHBondContact OD2-NZ 3.3Å
266E50.7Low73.7Confident160 Ų16052.7 Ų52.775%0.74831%0.312SS*.G310 helixtrans-47.6-30.9170.5-64.5-173.5161.900112.9T264 K268T264-E266 PolarHBondContact O-N 3.32Å; E266-K268 PolarHBondContact O-N 2.91Å
267A47.2Very low73.7Confident78 Ų7850.6 Ų50.665%0.64530%0.301SS*.G310 helixtrans-72.6-20.5179.900000114.8P263 T264 D265P263-A267 HydrophobicContact CB-CB 4.12Å; T264-A267 PolarHBondContact O-N 2.87Å; D265-A267 PolarHBondContact O-N 3.38Å
268K55.4Low73.7Confident109 Ų10952.3 Ų52.347%0.47432%0.315SS..G310 helixtrans-90.5-5.3-175.7-64.7177.6-165.5142.60113.4E205 D265 E266 H270E205-K268 IonicContact OE1-NZ 2.83Å; E205-K268 PolarHBondContact OE1-NZ 3.44Å; D265-K268 PolarHBondContact O-N 3.12Å; D265-K268 IonicContact OD1-NZ 3.68Å; D265-K268 PolarHBondContact OD1-NZ 2.86Å; E266-K268 PolarHBondContact O-N 2.91Å; K268-H270 PolarHBondContact O-N 2.87Å; K268-H270 VanDerWaalsContact O-N 3.16Å
269G59Low73.8Confident46 Ų4652.3 Ų52.347%0.47432%0.315SS..THydrogen-bonded Turntrans65.514.7177.100000115.2R449G269-R449 PolarHBondContact O-NH1 3.21Å
270H64.4Low74Confident42 Ų4252.3 Ų52.319%0.19432%0.315CS..  trans-98.65.7177.6-60.7-46.3000113.1K268 K446 R449K268-H270 PolarHBondContact O-N 2.87Å; K268-H270 VanDerWaalsContact O-N 3.16Å; H270-K446 HydrophobicContact CB-CG 4.29Å; H270-K446 WeakPolarHBondContact O-CB 3.06Å; H270-R449 HydrophobicContact CB-CB 4.44Å
271T65.2Low74.4Confident59 Ų5952.5 Ų52.536%0.36231%0.311SS..  trans-96.7153.6-175.155.40000112.1D265D265-T271 HydrophobicContact CB-CG2 4Å
272G79Confident75Confident23 Ų2354 Ų5424%0.23731%0.314CS..SBendtrans95.9160.2-179.800000114.7E442G272-E442 WeakPolarHBondContact CA-OE1 3.35Å; G272-E442 PolarHBondContact N-OE1 3.33Å
273I85.6Confident76.3Confident55 Ų5552.9 Ų52.928%0.28231%0.306SS..SBendtrans-68.3166.6172.364.7172.7000111.4A278 N440 E442I273-A278 HydrophobicContact CD1-CB 3.91Å; I273-A278 HydrophobicContact CG1-CB 3.88Å; I273-N440 VanDerWaalsContact CG2-O 3.29Å; I273-N440 WeakPolarHBondContact CG2-O 3.35Å; I273-E442 HydrophobicContact CG2-CB 4.3Å
274G87.6Confident77.7Confident0 Ų049.9 Ų49.90%029%0.286CS..  trans-53.5143.3177.900000114L276 A277 A278 C436 S437 S439G274-L276 VanDerWaalsContact C-N 3.34Å; G274-L276 PolarHBondContact O-N 3.3Å; G274-A277 WeakPolarHBondContact O-CB 3.39Å; G274-A277 PolarHBondContact O-N 3.18Å; G274-A278 VanDerWaalsContact O-CB 3.31Å; G274-A278 WeakPolarHBondContact O-CB 3.31Å; G274-A278 PolarHBondContact O-N 3.45Å; G274-C436 WeakPolarHBondContact CA-O 3.25Å; G274-S437 CarbonylContact C-O 3.59Å; G274-S437 VanDerWaalsContact C-O 3.23Å; G274-S437 WeakPolarHBondContact CA-O 3.42Å; G274-S439 PolarHBondContact N-O 3.18Å
275E91.2Very high79.3Confident143 Ų14350.7 Ų50.767%0.66829%0.286SS*.Hα-helixtrans-60.7-40.7-176.1-66.5170.8-159.500112.8A279 S437E275-A279 VanDerWaalsContact O-CB 3.28Å; E275-A279 WeakPolarHBondContact O-CB 3.42Å; E275-A279 PolarHBondContact O-N 3.17Å; E275-S437 PolarHBondContact N-O 3.33Å
276L92.5Very high81.1Confident19 Ų1953.2 Ų53.210%0.09930%0.296CS..Hα-helixtrans-75.8-36.8177.7-171.656.6000111.1G274 A279 L280 I310 L380 S437 I438G274-L276 VanDerWaalsContact C-N 3.34Å; G274-L276 PolarHBondContact O-N 3.3Å; L276-A279 WeakPolarHBondContact O-CB 3.44Å; L276-A279 PolarHBondContact O-N 2.88Å; L276-L280 HydrophobicContact CD1-CD1 4.35Å; L276-L280 HydrophobicContact CG-CD1 3.99Å; L276-L280 WeakPolarHBondContact O-CB 3.37Å; L276-L280 VanDerWaalsContact O-CD1 3.3Å; L276-L280 WeakPolarHBondContact O-CD1 3.38Å; L276-L280 VanDerWaalsContact O-CG 3.27Å; L276-L280 WeakPolarHBondContact O-CG 3.46Å; L276-L280 PolarHBondContact O-N 3.49Å; L276-I310 HydrophobicContact CD1-CB 4.35Å; L276-I310 HydrophobicContact CD1-CG1 4.37Å; L276-I310 HydrophobicContact CD1-CG2 4.09Å; L276-L380 HydrophobicContact CD2-CD1 3.9Å; L276-S437 CarbonylContact C-O 3Å; L276-S437 WeakPolarHBondContact CA-O 3.42Å; L276-S437 WeakPolarHBondContact CB-O 3.5Å; L276-S437 PolarHBondContact N-O 3.46Å; L276-I438 HydrophobicContact CD2-CG2 4.05Å
277A92.2Very high83Confident1 Ų145.6 Ų45.61%0.00826%0.26CS..Hα-helixtrans-60.5-48.5171.600000111.7G274 A279 L280 N281 S437 S439G274-A277 WeakPolarHBondContact O-CB 3.39Å; G274-A277 PolarHBondContact O-N 3.18Å; A277-A279 VanDerWaalsContact C-N 3.31Å; A277-A279 PolarHBondContact O-N 2.84Å; A277-L280 PolarHBondContact O-N 3.44Å; A277-N281 WeakPolarHBondContact O-CB 3.06Å; A277-N281 PolarHBondContact O-N 2.82Å; A277-N281 PolarHBondContact O-ND2 2.81Å; A277-N281 PolarHBondContact O-OD1 3.18Å; A277-S437 PolarHBondContact N-O 3.47Å; A277-S439 WeakPolarHBondContact CB-O 3.22Å
278A92.6Very high84.8Confident37 Ų3746.6 Ų46.631%0.30625%0.254SS..Hα-helixtrans-57.3-45.2173.700000111.3I273 G274 N281 E282I273-A278 HydrophobicContact CD1-CB 3.91Å; I273-A278 HydrophobicContact CG1-CB 3.88Å; G274-A278 VanDerWaalsContact O-CB 3.31Å; G274-A278 WeakPolarHBondContact O-CB 3.31Å; G274-A278 PolarHBondContact O-N 3.45Å; A278-N281 PolarHBondContact O-N 3.33Å; A278-E282 VanDerWaalsContact O-CB 3.24Å; A278-E282 WeakPolarHBondContact O-CB 3.4Å; A278-E282 PolarHBondContact O-N 2.97Å
279A93.2Very high86.2Confident1 Ų142.4 Ų42.41%0.00824%0.237CC..Hα-helixtrans-59.3-47.7177.800000112.9E275 L276 A277 E282 F283 I310E275-A279 VanDerWaalsContact O-CB 3.28Å; E275-A279 WeakPolarHBondContact O-CB 3.42Å; E275-A279 PolarHBondContact O-N 3.17Å; L276-A279 WeakPolarHBondContact O-CB 3.44Å; L276-A279 PolarHBondContact O-N 2.88Å; A277-A279 VanDerWaalsContact C-N 3.31Å; A277-A279 PolarHBondContact O-N 2.84Å; A279-E282 PolarHBondContact O-N 3.37Å; A279-F283 WeakPolarHBondContact O-CB 3.41Å; A279-F283 PolarHBondContact O-N 2.98Å; A279-I310 HydrophobicContact CB-CD1 4.34Å; A279-I310 HydrophobicContact CB-CG1 3.76Å
280L93.6Very high87.2Confident4 Ų444.2 Ų44.22%0.02124%0.235CC..Hα-helixtrans-66.8-40.1179-71.1156.4000111.2L276 A277 F283 D284 I310 T373 L376 R377 L380L276-L280 HydrophobicContact CD1-CD1 4.35Å; L276-L280 HydrophobicContact CG-CD1 3.99Å; L276-L280 WeakPolarHBondContact O-CB 3.37Å; L276-L280 VanDerWaalsContact O-CD1 3.3Å; L276-L280 WeakPolarHBondContact O-CD1 3.38Å; L276-L280 VanDerWaalsContact O-CG 3.27Å; L276-L280 WeakPolarHBondContact O-CG 3.46Å; L276-L280 PolarHBondContact O-N 3.49Å; A277-L280 PolarHBondContact O-N 3.44Å; L280-F283 PolarHBondContact O-N 3.06Å; L280-D284 PolarHBondContact O-N 2.91Å; L280-I310 HydrophobicContact CD2-CD1 4.07Å; L280-I310 HydrophobicContact CD2-CG1 4.42Å; L280-I310 HydrophobicContact CD2-CG2 3.54Å; L280-I310 HydrophobicContact CG-CD1 4.27Å; L280-I310 HydrophobicContact CG-CG1 4.38Å; L280-I310 HydrophobicContact CG-CG2 4.07Å; L280-T373 HydrophobicContact CD2-CG2 3.55Å; L280-L376 HydrophobicContact CD2-CD2 4.43Å; L280-R377 VanDerWaalsContact CB-CZ 3.44Å; L280-R377 VanDerWaalsContact CB-NH2 3.32Å; L280-R377 HydrophobicContact CD1-CG 3.73Å; L280-R377 HydrophobicContact CD2-CG 4.49Å; L280-R377 PolarHBondContact O-NH2 3.46Å; L280-R377 VanDerWaalsContact O-NH2 3.16Å; L280-L380 HydrophobicContact CD1-CD1 4.19Å
281N92.5Very high87.9Confident44 Ų4442.4 Ų42.424%0.23523%0.228CC..Hα-helixtrans-66.6-42.2176.6-66-12.9000111.5A277 A278 F283 D284 N285 R377 N440A277-N281 WeakPolarHBondContact O-CB 3.06Å; A277-N281 PolarHBondContact O-N 2.82Å; A277-N281 PolarHBondContact O-ND2 2.81Å; A277-N281 PolarHBondContact O-OD1 3.18Å; A278-N281 PolarHBondContact O-N 3.33Å; N281-F283 VanDerWaalsContact C-N 3.31Å; N281-D284 PolarHBondContact O-N 2.89Å; N281-N285 WeakPolarHBondContact O-CB 3.44Å; N281-N285 VanDerWaalsContact O-CG 3.26Å; N281-N285 PolarHBondContact O-N 3.41Å; N281-N285 PolarHBondContact O-ND2 3.27Å; N281-R377 PolarHBondContact OD1-NH2 3.31Å; N281-N440 PolarHBondContact ND2-OD1 3.47Å
282E92.5Very high88.4Confident76 Ų7643.8 Ų43.836%0.35523%0.231SC..Hα-helixtrans-61.2-42.9173.7-174.1-170.3-176.600110.8A278 A279 N285 K286 R306A278-E282 VanDerWaalsContact O-CB 3.24Å; A278-E282 WeakPolarHBondContact O-CB 3.4Å; A278-E282 PolarHBondContact O-N 2.97Å; A279-E282 PolarHBondContact O-N 3.37Å; E282-N285 PolarHBondContact O-N 2.72Å; E282-K286 HydrophobicContact CG-CD 4.15Å; E282-K286 HydrophobicContact CG-CG 4.46Å; E282-K286 WeakPolarHBondContact O-CB 3.48Å; E282-K286 VanDerWaalsContact O-CG 3.28Å; E282-K286 WeakPolarHBondContact O-CG 3.41Å; E282-K286 PolarHBondContact O-N 3.28Å; E282-K286 WeakPolarHBondContact OE1-CE 3.24Å; E282-K286 IonicContact OE1-NZ 2.72Å; E282-K286 PolarHBondContact OE1-NZ 3.26Å; E282-R306 WeakPolarHBondContact OE2-CD 3.21Å; E282-R306 IonicContact OE2-CZ 3.07Å; E282-R306 IonicContact OE2-NH1 3.86Å; E282-R306 PolarHBondContact OE2-NH1 2.97Å
283F94.5Very high88.5Confident0 Ų046.7 Ų46.70%024%0.244CC..Hα-helixtrans-62.9-49.3177.4-177.7-98.4000111.9A279 L280 N281 N285 K286 I287 L303 R306 L307 I310 L342 M369 T373A279-F283 WeakPolarHBondContact O-CB 3.41Å; A279-F283 PolarHBondContact O-N 2.98Å; L280-F283 PolarHBondContact O-N 3.06Å; N281-F283 VanDerWaalsContact C-N 3.31Å; F283-N285 VanDerWaalsContact C-N 3.26Å; F283-N285 PolarHBondContact O-N 3Å; F283-K286 PolarHBondContact O-N 3.15Å; F283-I287 HydrophobicContact CD1-CG2 4.37Å; F283-I287 HydrophobicContact CE1-CG2 3.97Å; F283-I287 HydrophobicContact CE2-CG2 4.33Å; F283-I287 HydrophobicContact CZ-CG2 3.95Å; F283-I287 WeakPolarHBondContact O-CG2 3.23Å; F283-I287 PolarHBondContact O-N 3.07Å; F283-L303 HydrophobicContact CD2-CD2 4.41Å; F283-L303 HydrophobicContact CE2-CD2 4.22Å; F283-R306 HydrophobicContact CB-CG 4.04Å; F283-R306 HydrophobicContact CD2-CB 4.28Å; F283-R306 HydrophobicContact CD2-CG 3.98Å; F283-R306 HydrophobicContact CG-CG 4.49Å; F283-L307 HydrophobicContact CD2-CB 4.42Å; F283-L307 HydrophobicContact CE2-CB 3.8Å; F283-L307 HydrophobicContact CZ-CB 4.26Å; F283-L307 HydrophobicContact CZ-CD1 4.33Å; F283-I310 HydrophobicContact CB-CD1 3.66Å; F283-I310 HydrophobicContact CD2-CD1 4.42Å; F283-I310 HydrophobicContact CG-CD1 3.99Å; F283-L342 HydrophobicContact CE2-CD2 4.36Å; F283-L342 HydrophobicContact CZ-CD1 4.22Å; F283-L342 HydrophobicContact CZ-CD2 4.29Å; F283-M369 HydrophobicContact CE1-CE 3.53Å; F283-M369 HydrophobicContact CE1-SD 4.31Å; F283-M369 HydrophobicContact CZ-CE 3.97Å; F283-M369 HydrophobicContact CZ-SD 4.41Å; F283-T373 HydrophobicContact CD1-CG2 4.41Å
284D92.1Very high88.3Confident26 Ų2644.8 Ų44.814%0.13923%0.234CC..Hα-helixtrans-61.7-33.6177.1-73.6-24.3000112.7L280 N281 I287 T373 R377L280-D284 PolarHBondContact O-N 2.91Å; N281-D284 PolarHBondContact O-N 2.89Å; D284-I287 WeakPolarHBondContact O-CG1 3.3Å; D284-T373 WeakPolarHBondContact OD1-CB 3.2Å; D284-T373 VanDerWaalsContact OD1-CG2 3.3Å; D284-T373 WeakPolarHBondContact OD1-CG2 3.34Å; D284-T373 PolarHBondContact OD1-OG1 3.39Å; D284-R377 IonicContact OD2-CZ 3.38Å; D284-R377 IonicContact OD2-NH1 3.45Å; D284-R377 PolarHBondContact OD2-NH1 3.1Å; D284-R377 IonicContact OD2-NH2 3.48Å; D284-R377 PolarHBondContact OD2-NH2 3.25Å
285N91.2Very high88.1Confident117 Ų11747.3 Ų47.363%0.62625%0.252SS*.Hα-helixtrans-71.7-39.1173.2-73.4-38.4000112N281 E282 F283 I287 I288N281-N285 WeakPolarHBondContact O-CB 3.44Å; N281-N285 VanDerWaalsContact O-CG 3.26Å; N281-N285 PolarHBondContact O-N 3.41Å; N281-N285 PolarHBondContact O-ND2 3.27Å; E282-N285 PolarHBondContact O-N 2.72Å; F283-N285 VanDerWaalsContact C-N 3.26Å; F283-N285 PolarHBondContact O-N 3Å; N285-I287 PolarHBondContact O-N 2.97Å; N285-I288 PolarHBondContact O-N 2.92Å
286K90.5Very high87.8Confident77 Ų7743.9 Ų43.934%0.33524%0.235SC..Hα-helixtrans-71-25.7-179-79.8-178.1-179.7174.70113.7E282 F283 I288 L289 L303E282-K286 HydrophobicContact CG-CD 4.15Å; E282-K286 HydrophobicContact CG-CG 4.46Å; E282-K286 WeakPolarHBondContact O-CB 3.48Å; E282-K286 VanDerWaalsContact O-CG 3.28Å; E282-K286 WeakPolarHBondContact O-CG 3.41Å; E282-K286 PolarHBondContact O-N 3.28Å; E282-K286 WeakPolarHBondContact OE1-CE 3.24Å; E282-K286 IonicContact OE1-NZ 2.72Å; E282-K286 PolarHBondContact OE1-NZ 3.26Å; F283-K286 PolarHBondContact O-N 3.15Å; K286-I288 VanDerWaalsContact C-N 3.26Å; K286-I288 PolarHBondContact O-N 3.2Å; K286-L289 WeakPolarHBondContact O-CD2 3.42Å; K286-L289 WeakPolarHBondContact O-CG 3.39Å; K286-L303 HydrophobicContact CB-CD2 3.76Å
287I90.2Very high87.5Confident0 Ų047.1 Ų47.10%027%0.265CS..THydrogen-bonded Turntrans-72.9-19176.359.7168.3000112.6F283 D284 N285 L289 L303 L345 Y349 M369F283-I287 HydrophobicContact CD1-CG2 4.37Å; F283-I287 HydrophobicContact CE1-CG2 3.97Å; F283-I287 HydrophobicContact CE2-CG2 4.33Å; F283-I287 HydrophobicContact CZ-CG2 3.95Å; F283-I287 WeakPolarHBondContact O-CG2 3.23Å; F283-I287 PolarHBondContact O-N 3.07Å; D284-I287 WeakPolarHBondContact O-CG1 3.3Å; N285-I287 PolarHBondContact O-N 2.97Å; I287-L289 PolarHBondContact O-N 3.09Å; I287-L303 HydrophobicContact CG2-CD2 4.02Å; I287-L345 HydrophobicContact CB-CD2 3.88Å; I287-L345 HydrophobicContact CG2-CD2 4.14Å; I287-Y349 PolarHBondContact O-OH 2.86Å; I287-Y349 VanDerWaalsContact O-OH 3.04Å; I287-M369 HydrophobicContact CD1-CB 4.11Å; I287-M369 HydrophobicContact CD1-CG 3.48Å; I287-M369 VanDerWaalsContact CD1-CG 3.48Å; I287-M369 HydrophobicContact CG2-CG 4.27Å
288I86.3Confident87.2Confident100 Ų10055.9 Ų55.951%0.51330%0.298SS..  trans-8383.6178.1-54.6174000109.3N285 K286N285-I288 PolarHBondContact O-N 2.92Å; K286-I288 VanDerWaalsContact C-N 3.26Å; K286-I288 PolarHBondContact O-N 3.2Å
289L84.9Confident87Confident21 Ų2155.6 Ų55.611%0.1129%0.29CS..  trans-101.6150.8-179.9-56.5174.1000112.1K286 I287 P291 F294 F299 L303 Y349K286-L289 WeakPolarHBondContact O-CD2 3.42Å; K286-L289 WeakPolarHBondContact O-CG 3.39Å; I287-L289 PolarHBondContact O-N 3.09Å; L289-P291 WeakPolarHBondContact O-CD 3.44Å; L289-F294 HydrophobicContact CD1-CD2 3.72Å; L289-F294 HydrophobicContact CD1-CE2 4.01Å; L289-F299 HydrophobicContact CD1-CB 4.04Å; L289-F299 HydrophobicContact CD1-CD1 3.85Å; L289-F299 HydrophobicContact CD1-CD2 4.17Å; L289-F299 HydrophobicContact CD1-CE1 4.33Å; L289-F299 HydrophobicContact CD1-CG 3.76Å; L289-F299 HydrophobicContact CD2-CD1 3.77Å; L289-F299 HydrophobicContact CD2-CE1 3.57Å; L289-F299 HydrophobicContact CD2-CG 4.47Å; L289-F299 HydrophobicContact CD2-CZ 4.13Å; L289-F299 HydrophobicContact CG-CD1 4.49Å; L289-L303 HydrophobicContact CD1-CD1 4.48Å; L289-Y349 HydrophobicContact CB-CE1 3.87Å; L289-Y349 HydrophobicContact CB-CE2 4.42Å; L289-Y349 PolarHBondContact N-OH 2.92Å; L289-Y349 WeakPolarHBondContact O-CE1 3.27Å; L289-Y349 PolarHBondContact O-OH 3.45Å
290D80.6Confident86.9Confident83 Ų8358.3 Ų58.344%0.44430%0.3SS..  trans-76.4117.5165.6176.67.1000109.4M292 T293 F294D290-M292 PolarHBondContact O-N 3.09Å; D290-M292 PolarHBondContact OD1-N 2.53Å; D290-T293 HydrophobicContact CB-CG2 4.33Å; D290-T293 PolarHBondContact O-N 2.92Å; D290-T293 PolarHBondContact O-OG1 2.85Å; D290-F294 PolarHBondContact O-N 3.32Å
291P77.3Confident86.9Confident5 Ų561.6 Ų61.63%0.03232%0.321CS..THydrogen-bonded Turntrans-54.4-25.8178.9-24.533.5000114.7L289 T293 Y349 N352 K358 L362L289-P291 WeakPolarHBondContact O-CD 3.44Å; P291-T293 VanDerWaalsContact C-N 3.33Å; P291-Y349 HydrophobicContact CG-CE1 4.22Å; P291-N352 HydrophobicContact CB-CB 4.46Å; P291-K358 HydrophobicContact CG-CG 3.91Å; P291-L362 HydrophobicContact CG-CD2 3.75Å
292M76.6Confident86.9Confident88 Ų8861.5 Ų61.543%0.43333%0.325SS..THydrogen-bonded Turntrans-72-27.5177.1-76.6-66.8-153.100113.5D290 K356D290-M292 PolarHBondContact O-N 3.09Å; D290-M292 PolarHBondContact OD1-N 2.53Å; M292-K356 HydrophobicContact CE-CB 4.09Å; M292-K356 HydrophobicContact CE-CD 4.48Å; M292-K356 HydrophobicContact CE-CG 3.25Å
293T80.1Confident86.9Confident83 Ų8358 Ų5851%0.50931%0.308SS..THydrogen-bonded Turntrans-101.3-5-177.367.20000112.9D290 P291 S295 F299D290-T293 HydrophobicContact CB-CG2 4.33Å; D290-T293 PolarHBondContact O-N 2.92Å; D290-T293 PolarHBondContact O-OG1 2.85Å; P291-T293 VanDerWaalsContact C-N 3.33Å; T293-S295 PolarHBondContact O-N 3.03Å; T293-F299 WeakPolarHBondContact O-CE2 3.3Å
294F82Confident87Confident15 Ų1561.2 Ų61.27%0.06632%0.323CS..  trans-62125.3-176.9-178.4-100.9000111.4L289 D290 E296 F299 L346 Y349 M350L289-F294 HydrophobicContact CD1-CD2 3.72Å; L289-F294 HydrophobicContact CD1-CE2 4.01Å; D290-F294 PolarHBondContact O-N 3.32Å; F294-E296 HydrophobicContact CE1-CB 4.13Å; F294-E296 HydrophobicContact CZ-CB 4.36Å; F294-F299 HydrophobicContact CD2-CD2 4Å; F294-F299 HydrophobicContact CE2-CB 4.18Å; F294-F299 HydrophobicContact CE2-CD2 4.41Å; F294-L346 HydrophobicContact CE2-CD2 4.05Å; F294-L346 HydrophobicContact CZ-CD2 4.01Å; F294-Y349 HydrophobicContact CB-CD1 4.38Å; F294-Y349 HydrophobicContact CD2-CD1 4.12Å; F294-Y349 AromaticContact CD2-CG 3.94Å; F294-Y349 HydrophobicContact CD2-CG 3.94Å; F294-Y349 HydrophobicContact CE2-CD2 4.41Å; F294-Y349 HydrophobicContact CE2-CG 4.07Å; F294-Y349 HydrophobicContact CG-CD1 4.21Å; F294-Y349 HydrophobicContact CG-CG 4.26Å; F294-M350 HydrophobicContact CE1-CG 3.85Å
295S83.7Confident87.1Confident54 Ų5467 Ų6738%0.37835%0.35SS..  trans-130.5111.7170.6175.10000108.7T293 A297 R298 F299T293-S295 PolarHBondContact O-N 3.03Å; S295-A297 VanDerWaalsContact C-N 3.3Å; S295-A297 PolarHBondContact O-N 3.5Å; S295-R298 PolarHBondContact O-N 3.44Å; S295-F299 VanDerWaalsContact O-CD2 3.28Å; S295-F299 WeakPolarHBondContact O-CD2 3.13Å; S295-F299 PolarHBondContact O-N 2.89Å
296E84.3Confident87.3Confident70 Ų7063.9 Ų63.933%0.32733%0.329SS..Hα-helixtrans-50.8-48.5179.3-177.6-176.9-172.300112.1F294 R298 F299 R300 M350F294-E296 HydrophobicContact CE1-CB 4.13Å; F294-E296 HydrophobicContact CZ-CB 4.36Å; E296-R298 PolarHBondContact O-N 3.5Å; E296-R298 VanDerWaalsContact O-N 3.17Å; E296-F299 PolarHBondContact O-N 2.75Å; E296-R300 VanDerWaalsContact O-CB 3.27Å; E296-R300 WeakPolarHBondContact O-CB 3.18Å; E296-R300 PolarHBondContact O-N 3.29Å; E296-R300 IonicContact OE1-CZ 3.49Å; E296-R300 IonicContact OE1-NH1 2.71Å; E296-R300 PolarHBondContact OE1-NH1 2.8Å; E296-R300 IonicContact OE1-NH2 3.93Å; E296-R300 PolarHBondContact OE1-NH2 3.24Å; E296-M350 HydrophobicContact CG-SD 4.23Å; E296-M350 VanDerWaalsContact OE1-SD 3.42Å; E296-M350 WeakPolarHBondContact OE2-CE 3.44Å
297A87.1Confident87.5Confident88 Ų8860.4 Ų60.473%0.72731%0.314SS*.Hα-helixtrans-61.3-25.3179.800000113.7S295S295-A297 VanDerWaalsContact C-N 3.3Å; S295-A297 PolarHBondContact O-N 3.5Å
298R86.2Confident87.8Confident185 Ų18564.5 Ų64.570%0.69833%0.333SS*.Hα-helixtrans-90.5-47.9179.1-175.2-177.7177.1-169.1-1.8112.2S295 E296S295-R298 PolarHBondContact O-N 3.44Å; E296-R298 PolarHBondContact O-N 3.5Å; E296-R298 VanDerWaalsContact O-N 3.17Å
299F87.6Confident88.2Confident31 Ų3162.6 Ų62.614%0.13633%0.328CS..Hα-helixtrans-87.9-37.3-169.7-68.1-75000113.3L289 T293 F294 S295 E296 S302 L303L289-F299 HydrophobicContact CD1-CB 4.04Å; L289-F299 HydrophobicContact CD1-CD1 3.85Å; L289-F299 HydrophobicContact CD1-CD2 4.17Å; L289-F299 HydrophobicContact CD1-CE1 4.33Å; L289-F299 HydrophobicContact CD1-CG 3.76Å; L289-F299 HydrophobicContact CD2-CD1 3.77Å; L289-F299 HydrophobicContact CD2-CE1 3.57Å; L289-F299 HydrophobicContact CD2-CG 4.47Å; L289-F299 HydrophobicContact CD2-CZ 4.13Å; L289-F299 HydrophobicContact CG-CD1 4.49Å; T293-F299 WeakPolarHBondContact O-CE2 3.3Å; F294-F299 HydrophobicContact CD2-CD2 4Å; F294-F299 HydrophobicContact CE2-CB 4.18Å; F294-F299 HydrophobicContact CE2-CD2 4.41Å; S295-F299 VanDerWaalsContact O-CD2 3.28Å; S295-F299 WeakPolarHBondContact O-CD2 3.13Å; S295-F299 PolarHBondContact O-N 2.89Å; E296-F299 PolarHBondContact O-N 2.75Å; F299-S302 PolarHBondContact O-N 3.03Å; F299-S302 PolarHBondContact O-OG 2.95Å; F299-L303 HydrophobicContact CB-CD1 4.39Å; F299-L303 WeakPolarHBondContact O-CG 3.16Å; F299-L303 PolarHBondContact O-N 3.43Å
300R91.1Very high88.7Confident58 Ų5861.6 Ų61.622%0.21932%0.323CS..Hα-helixtrans-57.1-51.8-176.4177.3178.4-67142.88.6112.3E296 S302 L303 E304 L346 M350E296-R300 VanDerWaalsContact O-CB 3.27Å; E296-R300 WeakPolarHBondContact O-CB 3.18Å; E296-R300 PolarHBondContact O-N 3.29Å; E296-R300 IonicContact OE1-CZ 3.49Å; E296-R300 IonicContact OE1-NH1 2.71Å; E296-R300 PolarHBondContact OE1-NH1 2.8Å; E296-R300 IonicContact OE1-NH2 3.93Å; E296-R300 PolarHBondContact OE1-NH2 3.24Å; R300-S302 VanDerWaalsContact C-N 3.29Å; R300-S302 PolarHBondContact O-N 3.28Å; R300-L303 PolarHBondContact O-N 3.47Å; R300-E304 WeakPolarHBondContact CD-OE1 3.23Å; R300-E304 HydrophobicContact CG-CG 4.02Å; R300-E304 WeakPolarHBondContact CG-OE1 3.25Å; R300-E304 WeakPolarHBondContact CG-OE2 3.46Å; R300-E304 WeakPolarHBondContact O-CB 3.36Å; R300-E304 WeakPolarHBondContact O-CG 3.32Å; R300-E304 PolarHBondContact O-N 3.31Å; R300-L346 HydrophobicContact CB-CD1 4.19Å; R300-L346 HydrophobicContact CG-CD1 3.81Å; R300-M350 PolarHBondContact NH2-SD 3.47Å
301P93.1Very high89.5Confident72 Ų7258.2 Ų58.247%0.46831%0.305SS..Hα-helixtrans-57.7-42.2-179.5-24.434.6000112.5E305P301-E305 WeakPolarHBondContact O-CB 3.34Å; P301-E305 PolarHBondContact O-N 2.94Å
302S92.5Very high90.3Very high43 Ų4361.4 Ų61.430%0.30133%0.328SS..Hα-helixtrans-69-34.4-178.869.30000113.9F299 R300 R306F299-S302 PolarHBondContact O-N 3.03Å; F299-S302 PolarHBondContact O-OG 2.95Å; R300-S302 VanDerWaalsContact C-N 3.29Å; R300-S302 PolarHBondContact O-N 3.28Å; S302-R306 WeakPolarHBondContact O-CB 3.45Å; S302-R306 PolarHBondContact O-N 3.46Å
303L93.9Very high91.1Very high3 Ų358.5 Ų58.52%0.01632%0.32CS..Hα-helixtrans-75.8-43.4177.9-73.6170.6000110.7F283 K286 I287 L289 F299 R300 R306 L307 L342 L346F283-L303 HydrophobicContact CD2-CD2 4.41Å; F283-L303 HydrophobicContact CE2-CD2 4.22Å; K286-L303 HydrophobicContact CB-CD2 3.76Å; I287-L303 HydrophobicContact CG2-CD2 4.02Å; L289-L303 HydrophobicContact CD1-CD1 4.48Å; F299-L303 HydrophobicContact CB-CD1 4.39Å; F299-L303 WeakPolarHBondContact O-CG 3.16Å; F299-L303 PolarHBondContact O-N 3.43Å; R300-L303 PolarHBondContact O-N 3.47Å; L303-R306 PolarHBondContact O-N 3.46Å; L303-L307 VanDerWaalsContact O-CB 3.28Å; L303-L307 WeakPolarHBondContact O-CB 3.4Å; L303-L307 PolarHBondContact O-N 3.36Å; L303-L342 HydrophobicContact CB-CD1 4.22Å; L303-L342 HydrophobicContact CB-CD2 4.31Å; L303-L342 HydrophobicContact CD1-CD1 4.26Å; L303-L346 HydrophobicContact CD1-CD2 4.04Å
304E95.5Very high91.8Very high66 Ų6654.5 Ų54.531%0.30830%0.295SS..Hα-helixtrans-64.4-43.9176.5-71.1177.9163.400111.4R300 R306 L307 E308 L342 Q343R300-E304 WeakPolarHBondContact CD-OE1 3.23Å; R300-E304 HydrophobicContact CG-CG 4.02Å; R300-E304 WeakPolarHBondContact CG-OE1 3.25Å; R300-E304 WeakPolarHBondContact CG-OE2 3.46Å; R300-E304 WeakPolarHBondContact O-CB 3.36Å; R300-E304 WeakPolarHBondContact O-CG 3.32Å; R300-E304 PolarHBondContact O-N 3.31Å; E304-R306 PolarHBondContact O-N 3.29Å; E304-L307 PolarHBondContact O-N 3.47Å; E304-E308 WeakPolarHBondContact O-CG 3.39Å; E304-E308 PolarHBondContact O-N 3.1Å; E304-L342 HydrophobicContact CG-CD2 4.16Å; E304-Q343 PolarHBondContact OE1-NE2 3.4Å
305E94.7Very high92.3Very high149 Ų14955.7 Ų55.770%0.69631%0.308SS*.Hα-helixtrans-60.2-46.7175.6-178.6-179-168.600112P301 L307 E308 S309P301-E305 WeakPolarHBondContact O-CB 3.34Å; P301-E305 PolarHBondContact O-N 2.94Å; E305-L307 VanDerWaalsContact C-N 3.34Å; E305-L307 PolarHBondContact O-N 3.26Å; E305-E308 PolarHBondContact O-N 3.08Å; E305-S309 PolarHBondContact O-N 3.45Å
306R94.5Very high92.7Very high51 Ų5159.4 Ų59.419%0.19232%0.323CS..Hα-helixtrans-63.2-41.6177.4-178.573.3-87.2-161.11.6111.3E282 F283 S302 L303 E304 S309 I310E282-R306 WeakPolarHBondContact OE2-CD 3.21Å; E282-R306 IonicContact OE2-CZ 3.07Å; E282-R306 IonicContact OE2-NH1 3.86Å; E282-R306 PolarHBondContact OE2-NH1 2.97Å; F283-R306 HydrophobicContact CB-CG 4.04Å; F283-R306 HydrophobicContact CD2-CB 4.28Å; F283-R306 HydrophobicContact CD2-CG 3.98Å; F283-R306 HydrophobicContact CG-CG 4.49Å; S302-R306 WeakPolarHBondContact O-CB 3.45Å; S302-R306 PolarHBondContact O-N 3.46Å; L303-R306 PolarHBondContact O-N 3.46Å; E304-R306 PolarHBondContact O-N 3.29Å; R306-S309 PolarHBondContact NH2-OG 3.01Å; R306-S309 WeakPolarHBondContact O-CB 3.19Å; R306-S309 PolarHBondContact O-N 3.06Å; R306-I310 HydrophobicContact CG-CD1 4.35Å; R306-I310 WeakPolarHBondContact O-CG1 3.05Å; R306-I310 PolarHBondContact O-N 3.43Å; R306-I310 VanDerWaalsContact O-N 3.11Å
307L96.4Very high93.1Very high3 Ų356.3 Ų56.32%0.01631%0.308CS..Hα-helixtrans-64.7-46.3177.6177.157.4000111.5F283 L303 E304 E305 S309 I310 I311 V338 R339 L342F283-L307 HydrophobicContact CD2-CB 4.42Å; F283-L307 HydrophobicContact CE2-CB 3.8Å; F283-L307 HydrophobicContact CZ-CB 4.26Å; F283-L307 HydrophobicContact CZ-CD1 4.33Å; L303-L307 VanDerWaalsContact O-CB 3.28Å; L303-L307 WeakPolarHBondContact O-CB 3.4Å; L303-L307 PolarHBondContact O-N 3.36Å; E304-L307 PolarHBondContact O-N 3.47Å; E305-L307 VanDerWaalsContact C-N 3.34Å; E305-L307 PolarHBondContact O-N 3.26Å; L307-S309 VanDerWaalsContact C-N 3.27Å; L307-S309 PolarHBondContact O-N 3.3Å; L307-I310 WeakPolarHBondContact O-CB 3.33Å; L307-I310 PolarHBondContact O-N 3.13Å; L307-I310 VanDerWaalsContact O-N 3.09Å; L307-I311 HydrophobicContact CD1-CD1 3.84Å; L307-I311 HydrophobicContact CD1-CG1 4.02Å; L307-I311 HydrophobicContact CD2-CD1 4.39Å; L307-I311 HydrophobicContact CG-CD1 3.79Å; L307-I311 HydrophobicContact CG-CG1 4.36Å; L307-I311 WeakPolarHBondContact O-CG1 3.31Å; L307-I311 PolarHBondContact O-N 3.23Å; L307-V338 HydrophobicContact CD1-CB 4.4Å; L307-V338 HydrophobicContact CD1-CG1 3.34Å; L307-V338 HydrophobicContact CD2-CG1 4.23Å; L307-V338 HydrophobicContact CG-CG1 4.45Å; L307-R339 HydrophobicContact CD2-CB 4.46Å; L307-R339 HydrophobicContact CD2-CG 3.95Å; L307-L342 HydrophobicContact CB-CD2 4.3Å; L307-L342 HydrophobicContact CD2-CB 4.18Å; L307-L342 HydrophobicContact CD2-CD2 3.56Å
308E95.8Very high93.3Very high87 Ų8752.2 Ų52.241%0.40727%0.274SS..Hα-helixtrans-66.1-31.6178.6-68.7-54.6145.400111.9E304 E305 I311 S312 R339E304-E308 WeakPolarHBondContact O-CG 3.39Å; E304-E308 PolarHBondContact O-N 3.1Å; E305-E308 PolarHBondContact O-N 3.08Å; E308-I311 PolarHBondContact O-N 3.33Å; E308-S312 WeakPolarHBondContact O-CB 3.47Å; E308-S312 PolarHBondContact O-N 2.94Å; E308-R339 IonicContact OE1-CZ 2.83Å; E308-R339 IonicContact OE1-NE 3.35Å; E308-R339 PolarHBondContact OE1-NE 3.47Å; E308-R339 IonicContact OE1-NH2 3.27Å; E308-R339 IonicContact OE2-CZ 3.68Å; E308-R339 IonicContact OE2-NE 2.69Å; E308-R339 IonicContact OE2-NH2 2.74Å; E308-R339 PolarHBondContact OE2-NH2 3.18Å
309S94.6Very high93.6Very high59 Ų5949.3 Ų49.341%0.41327%0.273SS..Hα-helixtrans-61.5-43.9168.9167.60000112.4E305 R306 L307 S312 G313E305-S309 PolarHBondContact O-N 3.45Å; R306-S309 PolarHBondContact NH2-OG 3.01Å; R306-S309 WeakPolarHBondContact O-CB 3.19Å; R306-S309 PolarHBondContact O-N 3.06Å; L307-S309 VanDerWaalsContact C-N 3.27Å; L307-S309 PolarHBondContact O-N 3.3Å; S309-S312 PolarHBondContact O-N 3.22Å; S309-G313 PolarHBondContact O-N 2.99Å; S309-G313 VanDerWaalsContact O-N 3.17Å
310I95.8Very high93.7Very high1 Ų148.8 Ų48.81%0.00527%0.273CS..Hα-helixtrans-62.6-45.5175.3-71162000110.5L276 A279 L280 F283 R306 L307 S312 G313 A314 L376L276-I310 HydrophobicContact CD1-CB 4.35Å; L276-I310 HydrophobicContact CD1-CG1 4.37Å; L276-I310 HydrophobicContact CD1-CG2 4.09Å; A279-I310 HydrophobicContact CB-CD1 4.34Å; A279-I310 HydrophobicContact CB-CG1 3.76Å; L280-I310 HydrophobicContact CD2-CD1 4.07Å; L280-I310 HydrophobicContact CD2-CG1 4.42Å; L280-I310 HydrophobicContact CD2-CG2 3.54Å; L280-I310 HydrophobicContact CG-CD1 4.27Å; L280-I310 HydrophobicContact CG-CG1 4.38Å; L280-I310 HydrophobicContact CG-CG2 4.07Å; F283-I310 HydrophobicContact CB-CD1 3.66Å; F283-I310 HydrophobicContact CD2-CD1 4.42Å; F283-I310 HydrophobicContact CG-CD1 3.99Å; R306-I310 HydrophobicContact CG-CD1 4.35Å; R306-I310 WeakPolarHBondContact O-CG1 3.05Å; R306-I310 PolarHBondContact O-N 3.43Å; R306-I310 VanDerWaalsContact O-N 3.11Å; L307-I310 WeakPolarHBondContact O-CB 3.33Å; L307-I310 PolarHBondContact O-N 3.13Å; L307-I310 VanDerWaalsContact O-N 3.09Å; I310-S312 VanDerWaalsContact C-N 3.33Å; I310-S312 PolarHBondContact O-N 3.42Å; I310-G313 PolarHBondContact O-N 3.09Å; I310-G313 VanDerWaalsContact O-N 3.14Å; I310-A314 PolarHBondContact O-N 3.05Å; I310-L376 HydrophobicContact CG2-CD2 4.08Å
311I96.2Very high93.5Very high12 Ų1251.5 Ų51.56%0.06230%0.301CS..Hα-helixtrans-67.1-35.6-178.9-64.1171.5000111.1L307 E308 G313 A314 A315 C335 R339L307-I311 HydrophobicContact CD1-CD1 3.84Å; L307-I311 HydrophobicContact CD1-CG1 4.02Å; L307-I311 HydrophobicContact CD2-CD1 4.39Å; L307-I311 HydrophobicContact CG-CD1 3.79Å; L307-I311 HydrophobicContact CG-CG1 4.36Å; L307-I311 WeakPolarHBondContact O-CG1 3.31Å; L307-I311 PolarHBondContact O-N 3.23Å; E308-I311 PolarHBondContact O-N 3.33Å; I311-G313 VanDerWaalsContact C-N 3.31Å; I311-G313 PolarHBondContact O-N 3.3Å; I311-A314 PolarHBondContact O-N 2.72Å; I311-A315 VanDerWaalsContact O-CB 3.32Å; I311-A315 WeakPolarHBondContact O-CB 3.42Å; I311-A315 PolarHBondContact O-N 2.9Å; I311-C335 HydrophobicContact CD1-CB 4.39Å; I311-C335 HydrophobicContact CG1-CB 4.2Å; I311-C335 HydrophobicContact CG2-CB 4.06Å; I311-R339 HydrophobicContact CD1-CG 3.6Å; I311-R339 VanDerWaalsContact CD1-CZ 3.43Å; I311-R339 VanDerWaalsContact CD1-NE 3.31Å; I311-R339 VanDerWaalsContact CG2-NH2 3.29Å
312S94.4Very high93.3Very high72 Ų7248.8 Ų48.850%0.50328%0.283SS..Hα-helixtrans-60.6-41.5171.7-172.90000111.7E308 S309 I310 A315 L316E308-S312 WeakPolarHBondContact O-CB 3.47Å; E308-S312 PolarHBondContact O-N 2.94Å; S309-S312 PolarHBondContact O-N 3.22Å; I310-S312 VanDerWaalsContact C-N 3.33Å; I310-S312 PolarHBondContact O-N 3.42Å; S312-A315 PolarHBondContact O-N 3.49Å; S312-L316 WeakPolarHBondContact O-CG 3.48Å; S312-L316 PolarHBondContact O-N 3.36Å
313G93Very high93.2Very high26 Ų2646.9 Ų46.927%0.26827%0.27SS..Hα-helixtrans-64.4-43.1174.400000112.5S309 I310 I311 A315 L316 M317S309-G313 PolarHBondContact O-N 2.99Å; S309-G313 VanDerWaalsContact O-N 3.17Å; I310-G313 PolarHBondContact O-N 3.09Å; I310-G313 VanDerWaalsContact O-N 3.14Å; I311-G313 VanDerWaalsContact C-N 3.31Å; I311-G313 PolarHBondContact O-N 3.3Å; G313-A315 PolarHBondContact O-N 3.4Å; G313-L316 PolarHBondContact O-N 2.91Å; G313-M317 PolarHBondContact O-N 2.82Å
314A95.1Very high93Very high0 Ų048.7 Ų48.70%028%0.276CS..Hα-helixtrans-62.6-40.2175.200000112.7I310 I311 M317 A318 I331 L380I310-A314 PolarHBondContact O-N 3.05Å; I311-A314 PolarHBondContact O-N 2.72Å; A314-M317 PolarHBondContact O-N 2.95Å; A314-A318 WeakPolarHBondContact O-CB 3.39Å; A314-A318 PolarHBondContact O-N 3.31Å; A314-I331 HydrophobicContact CB-CG2 4.15Å; A314-L380 HydrophobicContact CB-CD2 3.59Å
315A93.5Very high92.8Very high39 Ų3950.5 Ų50.532%0.32229%0.288SS..Hα-helixtrans-64.2-43.9179.500000111.9I311 S312 G313 M317 A318 D319I311-A315 VanDerWaalsContact O-CB 3.32Å; I311-A315 WeakPolarHBondContact O-CB 3.42Å; I311-A315 PolarHBondContact O-N 2.9Å; S312-A315 PolarHBondContact O-N 3.49Å; G313-A315 PolarHBondContact O-N 3.4Å; A315-M317 PolarHBondContact O-N 3.35Å; A315-A318 PolarHBondContact O-N 3.27Å; A315-A318 VanDerWaalsContact O-N 3.1Å; A315-D319 WeakPolarHBondContact O-CB 3.33Å; A315-D319 PolarHBondContact O-N 2.9Å
316L92.4Very high92.7Very high132 Ų13246.5 Ų46.569%0.69127%0.272SS*.Hα-helixtrans-57.9-37.9175.7-70.7174.4000112.3S312 G313S312-L316 WeakPolarHBondContact O-CG 3.48Å; S312-L316 PolarHBondContact O-N 3.36Å; G313-L316 PolarHBondContact O-N 2.91Å
317M92.1Very high92.6Very high6 Ų644.3 Ų44.33%0.0326%0.263CS..Hα-helixtrans-74.6-37.7176.6-165.8167.35800112G313 A314 A315 S320 T323 L380 A383 V384 L434G313-M317 PolarHBondContact O-N 2.82Å; A314-M317 PolarHBondContact O-N 2.95Å; A315-M317 PolarHBondContact O-N 3.35Å; M317-S320 WeakPolarHBondContact O-CB 3.43Å; M317-S320 PolarHBondContact O-N 3.44Å; M317-T323 PolarHBondContact O-OG1 3.05Å; M317-L380 VanDerWaalsContact CE-CA 3.4Å; M317-L380 HydrophobicContact CE-CB 3.54Å; M317-L380 HydrophobicContact CE-CD2 3.21Å; M317-L380 HydrophobicContact CE-CG 3.91Å; M317-L380 VanDerWaalsContact CE-O 3.27Å; M317-L380 WeakPolarHBondContact CE-O 3.16Å; M317-A383 HydrophobicContact CE-CB 3.82Å; M317-A383 HydrophobicContact CG-CB 4.12Å; M317-A383 HydrophobicContact SD-CB 4.07Å; M317-V384 HydrophobicContact CE-CG2 4.34Å; M317-V384 HydrophobicContact SD-CG2 3.38Å; M317-V384 WeakPolarHBondContact SD-CG2 3.4Å; M317-L434 HydrophobicContact CG-CD1 4.19Å; M317-L434 HydrophobicContact CG-CD2 4.05Å; M317-L434 HydrophobicContact SD-CD1 3.77Å; M317-L434 HydrophobicContact SD-CD2 3.89Å; M317-L434 HydrophobicContact SD-CG 4Å
318A91.7Very high92.4Very high1 Ų147.7 Ų47.71%0.00828%0.276CS..Hα-helixtrans-65.8-36177.200000112.8A314 A315 S320 R328 I331A314-A318 WeakPolarHBondContact O-CB 3.39Å; A314-A318 PolarHBondContact O-N 3.31Å; A315-A318 PolarHBondContact O-N 3.27Å; A315-A318 VanDerWaalsContact O-N 3.1Å; A318-S320 VanDerWaalsContact C-N 3.29Å; A318-S320 PolarHBondContact O-N 3.42Å; A318-R328 HydrophobicContact CB-CG 4.02Å; A318-R328 WeakPolarHBondContact O-CD 3.24Å; A318-R328 WeakPolarHBondContact O-CG 3.5Å; A318-R328 PolarHBondContact O-NE 2.66Å; A318-I331 HydrophobicContact CB-CB 4.33Å; A318-I331 HydrophobicContact CB-CD1 4.1Å; A318-I331 HydrophobicContact CB-CG2 4.06Å
319D91Very high92.4Very high124 Ų12450.5 Ų50.566%0.66329%0.289SS*.THydrogen-bonded Turntrans-79.5-8179.9-71.6-18.5000113.6A315A315-D319 WeakPolarHBondContact O-CB 3.33Å; A315-D319 PolarHBondContact O-N 2.9Å
320S90Very high92.4Very high21 Ų2152.1 Ų52.115%0.14729%0.286CS..SBendtrans-68.7143.8178.1-170.30000112.1M317 A318 C322 T323 H387M317-S320 WeakPolarHBondContact O-CB 3.43Å; M317-S320 PolarHBondContact O-N 3.44Å; A318-S320 VanDerWaalsContact C-N 3.29Å; A318-S320 PolarHBondContact O-N 3.42Å; S320-C322 PolarHBondContact O-N 3.1Å; S320-T323 PolarHBondContact O-N 3.24Å; S320-H387 WeakPolarHBondContact CB-CE1 3.26Å; S320-H387 PolarHBondContact OG-CE1 2.93Å
321S87.2Confident92.4Very high115 Ų11552.1 Ų52.180%0.80429%0.286SS*.THydrogen-bonded Turntrans-64.9-19.8-179.856.20000114.4
322C88.8Confident92.4Very high15 Ų1555.2 Ų55.210%0.10131%0.305CS..THydrogen-bonded Turntrans-79.8-19.5175.7-64.60000112.6S320 R324 D386 H387 K427S320-C322 PolarHBondContact O-N 3.1Å; C322-R324 PolarHBondContact O-NH1 3.14Å; C322-D386 WeakPolarHBondContact O-CB 3.4Å; C322-H387 HydrophobicContact CB-CB 4.16Å; C322-H387 VanDerWaalsContact CB-CD2 3.4Å; C322-H387 WeakPolarHBondContact CB-CD2 3.47Å; C322-K427 VanDerWaalsContact SG-CE 3.57Å
323T90.1Very high92.5Very high2 Ų254.3 Ų54.31%0.01230%0.302CS..SBendtrans-82.1121.2179.7-54.30000110M317 S320 R327 R328 I331 A383 H387M317-T323 PolarHBondContact O-OG1 3.05Å; S320-T323 PolarHBondContact O-N 3.24Å; T323-R327 HydrophobicContact CG2-CB 4.2Å; T323-R327 HydrophobicContact CG2-CG 4.49Å; T323-R328 PolarHBondContact O-NH2 3.06Å; T323-R328 VanDerWaalsContact O-NH2 3.12Å; T323-I331 HydrophobicContact CG2-CD1 4.34Å; T323-A383 HydrophobicContact CG2-CB 4.26Å; T323-H387 PolarHBondContact OG1-NE2 3.44Å
324R91.3Very high92.6Very high41 Ų4154.5 Ų54.516%0.15530%0.296CS..  trans-62.2151.9178.2-61.1-63-175-88.8-2.2111.9C322 D326 R327 R328 D386 D390 E519C322-R324 PolarHBondContact O-NH1 3.14Å; R324-D326 WeakPolarHBondContact CB-OD1 3.3Å; R324-D326 PolarHBondContact O-N 3.49Å; R324-R327 HydrophobicContact CB-CB 4.5Å; R324-R327 PolarHBondContact O-N 3.27Å; R324-R328 PolarHBondContact O-N 3.31Å; R324-D386 PolarHBondContact N-OD2 3.24Å; R324-D390 IonicContact CZ-OD2 3.74Å; R324-D390 IonicContact NH1-OD2 3.14Å; R324-D390 PolarHBondContact NH1-OD2 2.9Å; R324-D390 IonicContact NH2-OD1 3.44Å; R324-D390 PolarHBondContact NH2-OD1 3.08Å; R324-D390 IonicContact NH2-OD2 3.91Å; R324-D390 PolarHBondContact NH2-OD2 3.09Å; R324-E519 IonicContact CZ-OE2 2.93Å; R324-E519 IonicContact NE-OE1 3.13Å; R324-E519 IonicContact NE-OE2 3.99Å; R324-E519 PolarHBondContact NE-OE2 2.68Å; R324-E519 IonicContact NH2-OE2 2.67Å
325D91.3Very high92.7Very high105 Ų10554.8 Ų54.856%0.56130%0.298SS*.Hα-helixtrans-61.8-43-174.4-70.8-13.1000112.5R327 R328 E329D325-R327 VanDerWaalsContact C-N 3.31Å; D325-R327 PolarHBondContact O-N 2.97Å; D325-R328 WeakPolarHBondContact O-CB 3.36Å; D325-R328 PolarHBondContact O-N 2.86Å; D325-R328 IonicContact OD1-CZ 2.81Å; D325-R328 IonicContact OD1-NH1 2.94Å; D325-R328 PolarHBondContact OD1-NH1 2.93Å; D325-R328 IonicContact OD1-NH2 3.33Å; D325-R328 PolarHBondContact OD1-NH2 3.13Å; D325-E329 WeakPolarHBondContact O-CG 3.25Å; D325-E329 PolarHBondContact O-N 3.15Å
326D91.1Very high92.9Very high64 Ų6456.9 Ų56.934%0.34230%0.304SS..Hα-helixtrans-64.2-37.7177.674.7-54.7000111.4R324 E329 R330R324-D326 WeakPolarHBondContact CB-OD1 3.3Å; R324-D326 PolarHBondContact O-N 3.49Å; D326-E329 PolarHBondContact O-N 3.03Å; D326-R330 WeakPolarHBondContact O-CG 3.43Å; D326-R330 PolarHBondContact O-N 3.5Å; D326-R330 VanDerWaalsContact O-N 3.09Å; D326-R330 IonicContact OD2-CZ 3.42Å; D326-R330 IonicContact OD2-NE 3.5Å; D326-R330 IonicContact OD2-NH2 3.89Å; D326-R330 PolarHBondContact OD2-NH2 2.98Å
327R92.7Very high93.1Very high6 Ų651.9 Ų51.92%0.02328%0.282CS..Hα-helixtrans-69.5-39176.1-161179.9-48.4-63.9-1.1111.7T323 R324 D325 E329 R330 I331 A383 D386T323-R327 HydrophobicContact CG2-CB 4.2Å; T323-R327 HydrophobicContact CG2-CG 4.49Å; R324-R327 HydrophobicContact CB-CB 4.5Å; R324-R327 PolarHBondContact O-N 3.27Å; D325-R327 VanDerWaalsContact C-N 3.31Å; D325-R327 PolarHBondContact O-N 2.97Å; R327-E329 VanDerWaalsContact C-N 3.32Å; R327-E329 PolarHBondContact O-N 3.39Å; R327-R330 PolarHBondContact O-N 3.35Å; R327-I331 HydrophobicContact CG-CD1 4.42Å; R327-I331 WeakPolarHBondContact O-CG1 3.4Å; R327-I331 PolarHBondContact O-N 2.99Å; R327-A383 VanDerWaalsContact CD-CA 3.41Å; R327-D386 VanDerWaalsContact CD-OD2 3.31Å; R327-D386 WeakPolarHBondContact CD-OD2 3.28Å; R327-D386 IonicContact CZ-OD1 2.63Å; R327-D386 IonicContact CZ-OD2 3.54Å; R327-D386 IonicContact NE-OD1 2.77Å; R327-D386 PolarHBondContact NE-OD1 3.3Å; R327-D386 IonicContact NE-OD2 3.26Å; R327-D386 PolarHBondContact NE-OD2 3.4Å; R327-D386 IonicContact NH2-OD1 3.78Å; R327-D386 PolarHBondContact NH2-OD1 2.95Å; R327-D386 IonicContact NH2-OD2 2.59Å
328R93.6Very high93.3Very high74 Ų7451.6 Ų51.628%0.27928%0.28SS..Hα-helixtrans-56.4-47.3173.1-172.4-176.4-46.2114.812.9110.9A318 T323 R324 D325 R330 I331 V332A318-R328 HydrophobicContact CB-CG 4.02Å; A318-R328 WeakPolarHBondContact O-CD 3.24Å; A318-R328 WeakPolarHBondContact O-CG 3.5Å; A318-R328 PolarHBondContact O-NE 2.66Å; T323-R328 PolarHBondContact O-NH2 3.06Å; T323-R328 VanDerWaalsContact O-NH2 3.12Å; R324-R328 PolarHBondContact O-N 3.31Å; D325-R328 WeakPolarHBondContact O-CB 3.36Å; D325-R328 PolarHBondContact O-N 2.86Å; D325-R328 IonicContact OD1-CZ 2.81Å; D325-R328 IonicContact OD1-NH1 2.94Å; D325-R328 PolarHBondContact OD1-NH1 2.93Å; D325-R328 IonicContact OD1-NH2 3.33Å; D325-R328 PolarHBondContact OD1-NH2 3.13Å; R328-R330 PolarHBondContact O-N 2.89Å; R328-I331 PolarHBondContact O-N 3.07Å; R328-V332 WeakPolarHBondContact O-CG2 3.38Å; R328-V332 PolarHBondContact O-N 3.48Å
329E94.7Very high93.6Very high145 Ų14555.1 Ų55.168%0.67829%0.294SS*.Hα-helixtrans-60.9-42.8176.7-70.2-179.5-179.300112.3D325 D326 R327 V332 A333D325-E329 WeakPolarHBondContact O-CG 3.25Å; D325-E329 PolarHBondContact O-N 3.15Å; D326-E329 PolarHBondContact O-N 3.03Å; R327-E329 VanDerWaalsContact C-N 3.32Å; R327-E329 PolarHBondContact O-N 3.39Å; E329-V332 PolarHBondContact O-N 2.69Å; E329-A333 WeakPolarHBondContact O-CB 3.5Å; E329-A333 PolarHBondContact O-N 3.33Å
330R94.7Very high93.9Very high94 Ų9454.4 Ų54.436%0.35529%0.286SS..Hα-helixtrans-63.1-42.2176-68.6-179.9-146-16911.5112.7D326 R327 R328 A333 E334 Q379 D641D326-R330 WeakPolarHBondContact O-CG 3.43Å; D326-R330 PolarHBondContact O-N 3.5Å; D326-R330 VanDerWaalsContact O-N 3.09Å; D326-R330 IonicContact OD2-CZ 3.42Å; D326-R330 IonicContact OD2-NE 3.5Å; D326-R330 IonicContact OD2-NH2 3.89Å; D326-R330 PolarHBondContact OD2-NH2 2.98Å; R327-R330 PolarHBondContact O-N 3.35Å; R328-R330 PolarHBondContact O-N 2.89Å; R330-A333 PolarHBondContact O-N 3.38Å; R330-E334 PolarHBondContact O-N 3.48Å; R330-Q379 HydrophobicContact CB-CG 4.32Å; R330-D641 IonicContact NH1-OD2 3.66Å
331I95.4Very high94.2Very high1 Ų153.5 Ų53.51%0.00528%0.28CS..Hα-helixtrans-61.9-46.7176.2-67.1165000110.2A314 A318 T323 R327 R328 A333 E334 C335 L376 Q379 L380 A383A314-I331 HydrophobicContact CB-CG2 4.15Å; A318-I331 HydrophobicContact CB-CB 4.33Å; A318-I331 HydrophobicContact CB-CD1 4.1Å; A318-I331 HydrophobicContact CB-CG2 4.06Å; T323-I331 HydrophobicContact CG2-CD1 4.34Å; R327-I331 HydrophobicContact CG-CD1 4.42Å; R327-I331 WeakPolarHBondContact O-CG1 3.4Å; R327-I331 PolarHBondContact O-N 2.99Å; R328-I331 PolarHBondContact O-N 3.07Å; I331-A333 VanDerWaalsContact C-N 3.31Å; I331-A333 PolarHBondContact O-N 2.74Å; I331-E334 PolarHBondContact O-N 3.25Å; I331-C335 WeakPolarHBondContact O-CB 3.48Å; I331-C335 PolarHBondContact O-N 2.88Å; I331-C335 PolarHBondContact O-SG 3.46Å; I331-L376 HydrophobicContact CG2-CD1 4.48Å; I331-Q379 HydrophobicContact CG1-CB 3.88Å; I331-L380 HydrophobicContact CG2-CD2 4.29Å; I331-A383 HydrophobicContact CD1-CB 3.86Å
332V95.7Very high94.6Very high76 Ų7648 Ų4846%0.46124%0.242SC..Hα-helixtrans-60.9-42.5177.9172.10000110.9R328 E329 C335 N336R328-V332 WeakPolarHBondContact O-CG2 3.38Å; R328-V332 PolarHBondContact O-N 3.48Å; E329-V332 PolarHBondContact O-N 2.69Å; V332-C335 PolarHBondContact O-N 2.68Å; V332-N336 PolarHBondContact O-N 2.97Å; V332-N336 VanDerWaalsContact O-N 3.07Å; V332-N336 PolarHBondContact O-ND2 2.88Å
333A96.3Very high95Very high54 Ų5450.6 Ų50.645%0.44625%0.252SS..Hα-helixtrans-61.8-45.7176.200000112.1E329 R330 I331 N336 A337E329-A333 WeakPolarHBondContact O-CB 3.5Å; E329-A333 PolarHBondContact O-N 3.33Å; R330-A333 PolarHBondContact O-N 3.38Å; I331-A333 VanDerWaalsContact C-N 3.31Å; I331-A333 PolarHBondContact O-N 2.74Å; A333-N336 PolarHBondContact O-N 3.45Å; A333-A337 WeakPolarHBondContact O-CB 3.39Å; A333-A337 PolarHBondContact O-N 3.37Å
334E96.5Very high95.2Very high30 Ų3052.8 Ų52.814%0.1426%0.264CS..Hα-helixtrans-69.3-37.4177.9-69.4-58.8166.100112.5R330 I331 N336 A337 V338 K372 D375 L376 Q379R330-E334 PolarHBondContact O-N 3.48Å; I331-E334 PolarHBondContact O-N 3.25Å; E334-N336 VanDerWaalsContact C-N 3.29Å; E334-N336 PolarHBondContact O-N 3.47Å; E334-A337 WeakPolarHBondContact O-CB 3.27Å; E334-A337 PolarHBondContact O-N 2.99Å; E334-A337 VanDerWaalsContact O-N 3.11Å; E334-V338 WeakPolarHBondContact O-CB 3.45Å; E334-V338 VanDerWaalsContact O-CG2 3.24Å; E334-V338 WeakPolarHBondContact O-CG2 3.46Å; E334-V338 PolarHBondContact O-N 3.49Å; E334-K372 IonicContact OE1-NZ 3.26Å; E334-K372 PolarHBondContact OE1-NZ 3.13Å; E334-K372 IonicContact OE2-NZ 2.74Å; E334-K372 PolarHBondContact OE2-NZ 2.98Å; E334-D375 HydrophobicContact CG-CB 4.27Å; E334-L376 HydrophobicContact CB-CB 4.28Å; E334-L376 HydrophobicContact CB-CD1 4.2Å; E334-Q379 HydrophobicContact CG-CG 4.12Å
335C97.2Very high95.3Very high6 Ų650.9 Ų50.94%0.04126%0.257CS..Hα-helixtrans-56.3-44.7171.4-75.80000111.6I311 I331 V332 V338 R339I311-C335 HydrophobicContact CD1-CB 4.39Å; I311-C335 HydrophobicContact CG1-CB 4.2Å; I311-C335 HydrophobicContact CG2-CB 4.06Å; I331-C335 WeakPolarHBondContact O-CB 3.48Å; I331-C335 PolarHBondContact O-N 2.88Å; I331-C335 PolarHBondContact O-SG 3.46Å; V332-C335 PolarHBondContact O-N 2.68Å; C335-V338 PolarHBondContact O-N 3.1Å; C335-R339 WeakPolarHBondContact O-CG 3.44Å; C335-R339 PolarHBondContact O-N 3.06Å; C335-R339 VanDerWaalsContact O-N 3.09Å
336N96.7Very high95.3Very high82 Ų8246 Ų4644%0.43923%0.23SC..Hα-helixtrans-68.2-36.7175.5-70.7-32.5000112.4V332 A333 E334 R339 Q340V332-N336 PolarHBondContact O-N 2.97Å; V332-N336 VanDerWaalsContact O-N 3.07Å; V332-N336 PolarHBondContact O-ND2 2.88Å; A333-N336 PolarHBondContact O-N 3.45Å; E334-N336 VanDerWaalsContact C-N 3.29Å; E334-N336 PolarHBondContact O-N 3.47Å; N336-R339 PolarHBondContact O-N 3.41Å; N336-R339 PolarHBondContact OD1-NH1 3Å; N336-Q340 PolarHBondContact O-N 3.4Å
337A97.1Very high95.3Very high27 Ų2745.6 Ų45.622%0.22323%0.233CC..Hα-helixtrans-65-39.817600000112.3A333 E334 Q340 A341 K372A333-A337 WeakPolarHBondContact O-CB 3.39Å; A333-A337 PolarHBondContact O-N 3.37Å; E334-A337 WeakPolarHBondContact O-CB 3.27Å; E334-A337 PolarHBondContact O-N 2.99Å; E334-A337 VanDerWaalsContact O-N 3.11Å; A337-Q340 PolarHBondContact O-N 2.79Å; A337-A341 VanDerWaalsContact O-CB 3.29Å; A337-A341 WeakPolarHBondContact O-CB 3.35Å; A337-A341 PolarHBondContact O-N 2.94Å; A337-K372 HydrophobicContact CB-CD 4.05Å; A337-K372 HydrophobicContact CB-CG 4.35Å
338V97.2Very high95.2Very high1 Ų147.8 Ų47.81%0.00624%0.243CC..Hα-helixtrans-65.3-43.1175175.30000110.6L307 E334 C335 Q340 A341 L342 M369 K372 L376L307-V338 HydrophobicContact CD1-CB 4.4Å; L307-V338 HydrophobicContact CD1-CG1 3.34Å; L307-V338 HydrophobicContact CD2-CG1 4.23Å; L307-V338 HydrophobicContact CG-CG1 4.45Å; E334-V338 WeakPolarHBondContact O-CB 3.45Å; E334-V338 VanDerWaalsContact O-CG2 3.24Å; E334-V338 WeakPolarHBondContact O-CG2 3.46Å; E334-V338 PolarHBondContact O-N 3.49Å; C335-V338 PolarHBondContact O-N 3.1Å; V338-Q340 PolarHBondContact O-N 3.13Å; V338-A341 PolarHBondContact O-N 3.24Å; V338-L342 PolarHBondContact O-N 2.72Å; V338-M369 HydrophobicContact CB-CE 4.27Å; V338-M369 HydrophobicContact CG1-CE 3.42Å; V338-M369 VanDerWaalsContact CG1-CE 3.42Å; V338-K372 HydrophobicContact CG2-CB 3.91Å; V338-K372 WeakPolarHBondContact CG2-O 3.49Å; V338-L376 HydrophobicContact CG2-CB 4.05Å; V338-L376 HydrophobicContact CG2-CD2 4.12Å
339R96.8Very high95Very high75 Ų7544.3 Ų44.328%0.28323%0.23SC..Hα-helixtrans-57.3-49.3172.2-73.8-177.3-176.4117.7-1.7112L307 E308 I311 C335 N336 L342 Q343L307-R339 HydrophobicContact CD2-CB 4.46Å; L307-R339 HydrophobicContact CD2-CG 3.95Å; E308-R339 IonicContact OE1-CZ 2.83Å; E308-R339 IonicContact OE1-NE 3.35Å; E308-R339 PolarHBondContact OE1-NE 3.47Å; E308-R339 IonicContact OE1-NH2 3.27Å; E308-R339 IonicContact OE2-CZ 3.68Å; E308-R339 IonicContact OE2-NE 2.69Å; E308-R339 IonicContact OE2-NH2 2.74Å; E308-R339 PolarHBondContact OE2-NH2 3.18Å; I311-R339 HydrophobicContact CD1-CG 3.6Å; I311-R339 VanDerWaalsContact CD1-CZ 3.43Å; I311-R339 VanDerWaalsContact CD1-NE 3.31Å; I311-R339 VanDerWaalsContact CG2-NH2 3.29Å; C335-R339 WeakPolarHBondContact O-CG 3.44Å; C335-R339 PolarHBondContact O-N 3.06Å; C335-R339 VanDerWaalsContact O-N 3.09Å; N336-R339 PolarHBondContact O-N 3.41Å; N336-R339 PolarHBondContact OD1-NH1 3Å; R339-L342 PolarHBondContact O-N 3.46Å; R339-Q343 WeakPolarHBondContact O-CG 3.42Å; R339-Q343 PolarHBondContact O-N 2.96Å; R339-Q343 VanDerWaalsContact O-N 3.11Å
340Q97.2Very high94.6Very high108 Ų10840.9 Ų40.951%0.50522%0.215SC..Hα-helixtrans-63.9-42.9179.7-174.960.254.400111.5N336 A337 V338 L342 Q343 D344N336-Q340 PolarHBondContact O-N 3.4Å; A337-Q340 PolarHBondContact O-N 2.79Å; V338-Q340 PolarHBondContact O-N 3.13Å; Q340-L342 VanDerWaalsContact C-N 3.27Å; Q340-L342 PolarHBondContact O-N 3.23Å; Q340-Q343 PolarHBondContact O-N 3.25Å; Q340-Q343 VanDerWaalsContact O-N 3.15Å; Q340-D344 PolarHBondContact NE2-OD1 2.92Å; Q340-D344 VanDerWaalsContact O-CG 3.25Å; Q340-D344 PolarHBondContact O-N 3.39Å
341A96.4Very high94.2Very high2 Ų241.2 Ų41.22%0.01722%0.224CC..Hα-helixtrans-61.1-36.517700000112.1A337 V338 D344 L345 M369 K372A337-A341 VanDerWaalsContact O-CB 3.29Å; A337-A341 WeakPolarHBondContact O-CB 3.35Å; A337-A341 PolarHBondContact O-N 2.94Å; V338-A341 PolarHBondContact O-N 3.24Å; A341-D344 PolarHBondContact O-N 3.18Å; A341-L345 VanDerWaalsContact O-CB 3.26Å; A341-L345 WeakPolarHBondContact O-CB 3.45Å; A341-L345 PolarHBondContact O-N 2.98Å; A341-M369 VanDerWaalsContact C-SD 3.6Å; A341-M369 HydrophobicContact CB-CE 4.25Å; A341-M369 HydrophobicContact CB-SD 3.86Å; A341-K372 HydrophobicContact CB-CB 4.26Å; A341-K372 HydrophobicContact CB-CG 4.2Å
342L96.2Very high93.5Very high1 Ų141.5 Ų41.51%0.00523%0.225CC..Hα-helixtrans-65.1-43.4174.1178.861.4000111.5F283 L303 E304 L307 V338 R339 Q340 L345 L346 M369F283-L342 HydrophobicContact CE2-CD2 4.36Å; F283-L342 HydrophobicContact CZ-CD1 4.22Å; F283-L342 HydrophobicContact CZ-CD2 4.29Å; L303-L342 HydrophobicContact CB-CD1 4.22Å; L303-L342 HydrophobicContact CB-CD2 4.31Å; L303-L342 HydrophobicContact CD1-CD1 4.26Å; E304-L342 HydrophobicContact CG-CD2 4.16Å; L307-L342 HydrophobicContact CB-CD2 4.3Å; L307-L342 HydrophobicContact CD2-CB 4.18Å; L307-L342 HydrophobicContact CD2-CD2 3.56Å; V338-L342 PolarHBondContact O-N 2.72Å; R339-L342 PolarHBondContact O-N 3.46Å; Q340-L342 VanDerWaalsContact C-N 3.27Å; Q340-L342 PolarHBondContact O-N 3.23Å; L342-L345 PolarHBondContact O-N 3.28Å; L342-L346 HydrophobicContact CD1-CD1 4.18Å; L342-L346 HydrophobicContact CD1-CG 4.12Å; L342-L346 HydrophobicContact CG-CD1 4.05Å; L342-L346 HydrophobicContact CG-CG 4.42Å; L342-L346 WeakPolarHBondContact O-CB 3.46Å; L342-L346 VanDerWaalsContact O-CG 3.26Å; L342-L346 WeakPolarHBondContact O-CG 3.39Å; L342-L346 PolarHBondContact O-N 3.48Å; L342-M369 VanDerWaalsContact CA-SD 3.57Å; L342-M369 HydrophobicContact CB-SD 3.92Å; L342-M369 PolarHBondContact N-SD 3.33Å; L342-M369 VanDerWaalsContact N-SD 3.36Å
343Q95.8Very high92.5Very high68 Ų6841.6 Ų41.632%0.31823%0.226SC..Hα-helixtrans-65.6-39.6178.2-62.2-54.3-35.800112.3E304 R339 Q340 S347E304-Q343 PolarHBondContact OE1-NE2 3.4Å; R339-Q343 WeakPolarHBondContact O-CG 3.42Å; R339-Q343 PolarHBondContact O-N 2.96Å; R339-Q343 VanDerWaalsContact O-N 3.11Å; Q340-Q343 PolarHBondContact O-N 3.25Å; Q340-Q343 VanDerWaalsContact O-N 3.15Å; Q343-S347 WeakPolarHBondContact O-CB 3.31Å; Q343-S347 PolarHBondContact O-N 2.98Å; Q343-S347 VanDerWaalsContact O-N 3.08Å; Q343-S347 PolarHBondContact O-OG 3.5Å
344D94.8Very high91.3Very high49 Ų4941.5 Ų41.526%0.26223%0.231SC..Hα-helixtrans-61.5-46.6173.1-64.1-11.3000110.4Q340 A341 S347 E348 K368Q340-D344 PolarHBondContact NE2-OD1 2.92Å; Q340-D344 VanDerWaalsContact O-CG 3.25Å; Q340-D344 PolarHBondContact O-N 3.39Å; A341-D344 PolarHBondContact O-N 3.18Å; D344-S347 WeakPolarHBondContact O-CB 3.27Å; D344-S347 PolarHBondContact O-N 3.31Å; D344-E348 PolarHBondContact O-N 2.87Å; D344-K368 IonicContact OD2-NZ 3.25Å; D344-K368 PolarHBondContact OD2-NZ 2.83Å
345L94Very high90.1Very high1 Ų147.2 Ų47.21%0.00525%0.251CS..Hα-helixtrans-61.9-45.3179.4177.762.1000112.4I287 A341 L342 S347 E348 Y349 L362 A365 I366 M369I287-L345 HydrophobicContact CB-CD2 3.88Å; I287-L345 HydrophobicContact CG2-CD2 4.14Å; A341-L345 VanDerWaalsContact O-CB 3.26Å; A341-L345 WeakPolarHBondContact O-CB 3.45Å; A341-L345 PolarHBondContact O-N 2.98Å; L342-L345 PolarHBondContact O-N 3.28Å; L345-S347 VanDerWaalsContact C-N 3.28Å; L345-S347 PolarHBondContact O-N 3.36Å; L345-E348 PolarHBondContact O-N 2.86Å; L345-Y349 HydrophobicContact CD1-CD2 3.85Å; L345-Y349 HydrophobicContact CD1-CE2 3.59Å; L345-Y349 HydrophobicContact CD2-CE2 4.24Å; L345-Y349 HydrophobicContact CG-CD2 3.88Å; L345-Y349 HydrophobicContact CG-CE2 3.82Å; L345-Y349 WeakPolarHBondContact O-CD2 3.48Å; L345-Y349 PolarHBondContact O-N 3.18Å; L345-L362 HydrophobicContact CD1-CD1 3.98Å; L345-A365 HydrophobicContact CD1-CB 3.97Å; L345-I366 HydrophobicContact CD1-CB 4.44Å; L345-I366 HydrophobicContact CD1-CG1 3.56Å; L345-M369 HydrophobicContact CD2-CB 4.02Å; L345-M369 HydrophobicContact CD2-CG 3.84Å; L345-M369 HydrophobicContact CD2-SD 4.46Å
346L91.8Very high88.6Confident1 Ų156 Ų561%0.00529%0.289CS..Hα-helixtrans-62.2-38.6177.2-70.1172.4000111.4F294 R300 L303 L342 Y349 M350F294-L346 HydrophobicContact CE2-CD2 4.05Å; F294-L346 HydrophobicContact CZ-CD2 4.01Å; R300-L346 HydrophobicContact CB-CD1 4.19Å; R300-L346 HydrophobicContact CG-CD1 3.81Å; L303-L346 HydrophobicContact CD1-CD2 4.04Å; L342-L346 HydrophobicContact CD1-CD1 4.18Å; L342-L346 HydrophobicContact CD1-CG 4.12Å; L342-L346 HydrophobicContact CG-CD1 4.05Å; L342-L346 HydrophobicContact CG-CG 4.42Å; L342-L346 WeakPolarHBondContact O-CB 3.46Å; L342-L346 VanDerWaalsContact O-CG 3.26Å; L342-L346 WeakPolarHBondContact O-CG 3.39Å; L342-L346 PolarHBondContact O-N 3.48Å; L346-Y349 PolarHBondContact O-N 3.47Å; L346-M350 VanDerWaalsContact O-CG 3.3Å; L346-M350 WeakPolarHBondContact O-CG 3.47Å; L346-M350 PolarHBondContact O-N 3.37Å
347S91.2Very high87.2Confident56 Ų5660.1 Ų60.139%0.39231%0.305SS..Hα-helixtrans-63.2-42.2175.5-58.40000111.8Q343 D344 L345 M350 N351Q343-S347 WeakPolarHBondContact O-CB 3.31Å; Q343-S347 PolarHBondContact O-N 2.98Å; Q343-S347 VanDerWaalsContact O-N 3.08Å; Q343-S347 PolarHBondContact O-OG 3.5Å; D344-S347 WeakPolarHBondContact O-CB 3.27Å; D344-S347 PolarHBondContact O-N 3.31Å; L345-S347 VanDerWaalsContact C-N 3.28Å; L345-S347 PolarHBondContact O-N 3.36Å; S347-M350 WeakPolarHBondContact O-CB 3.43Å; S347-M350 PolarHBondContact O-N 3.43Å; S347-N351 VanDerWaalsContact O-CG 3.29Å; S347-N351 PolarHBondContact O-N 3.44Å; S347-N351 PolarHBondContact O-ND2 3.03Å
348E90.3Very high85.8Confident52 Ų5262.6 Ų62.624%0.24331%0.311CS..Hα-helixtrans-68.1-35.4176.3-73.1-54.8140.300113.1D344 L345 N351 N352 P361 L362 A365D344-E348 PolarHBondContact O-N 2.87Å; L345-E348 PolarHBondContact O-N 2.86Å; E348-N351 PolarHBondContact O-N 3.32Å; E348-N352 WeakPolarHBondContact O-CB 3.41Å; E348-N352 PolarHBondContact O-N 2.97Å; E348-N352 PolarHBondContact O-ND2 3.33Å; E348-P361 WeakPolarHBondContact OE2-CB 3.46Å; E348-L362 HydrophobicContact CB-CB 4.45Å; E348-L362 HydrophobicContact CB-CD1 3.87Å; E348-A365 HydrophobicContact CB-CB 4.13Å; E348-A365 HydrophobicContact CG-CB 3.86Å
349Y89.2Confident84.7Confident2 Ų263.6 Ų63.61%0.00832%0.321CS..Hα-helixtrans-62.6-43.6171.7-91.4-63.2000111.7I287 L289 P291 F294 L345 L346 N351 N352 T353 L362I287-Y349 PolarHBondContact O-OH 2.86Å; I287-Y349 VanDerWaalsContact O-OH 3.04Å; L289-Y349 HydrophobicContact CB-CE1 3.87Å; L289-Y349 HydrophobicContact CB-CE2 4.42Å; L289-Y349 PolarHBondContact N-OH 2.92Å; L289-Y349 WeakPolarHBondContact O-CE1 3.27Å; L289-Y349 PolarHBondContact O-OH 3.45Å; P291-Y349 HydrophobicContact CG-CE1 4.22Å; F294-Y349 HydrophobicContact CB-CD1 4.38Å; F294-Y349 HydrophobicContact CD2-CD1 4.12Å; F294-Y349 AromaticContact CD2-CG 3.94Å; F294-Y349 HydrophobicContact CD2-CG 3.94Å; F294-Y349 HydrophobicContact CE2-CD2 4.41Å; F294-Y349 HydrophobicContact CE2-CG 4.07Å; F294-Y349 HydrophobicContact CG-CD1 4.21Å; F294-Y349 HydrophobicContact CG-CG 4.26Å; L345-Y349 HydrophobicContact CD1-CD2 3.85Å; L345-Y349 HydrophobicContact CD1-CE2 3.59Å; L345-Y349 HydrophobicContact CD2-CE2 4.24Å; L345-Y349 HydrophobicContact CG-CD2 3.88Å; L345-Y349 HydrophobicContact CG-CE2 3.82Å; L345-Y349 WeakPolarHBondContact O-CD2 3.48Å; L345-Y349 PolarHBondContact O-N 3.18Å; L346-Y349 PolarHBondContact O-N 3.47Å; Y349-N351 VanDerWaalsContact C-N 3.34Å; Y349-N351 PolarHBondContact O-N 3.28Å; Y349-N352 CarbonylContact O-C 3.23Å; Y349-N352 PolarHBondContact O-N 2.97Å; Y349-N352 VanDerWaalsContact O-N 3.17Å; Y349-T353 PolarHBondContact O-N 2.7Å; Y349-T353 VanDerWaalsContact O-N 3.08Å; Y349-T353 PolarHBondContact O-OG1 3.24Å; Y349-L362 HydrophobicContact CD1-CD1 4Å; Y349-L362 HydrophobicContact CD1-CD2 4.11Å; Y349-L362 HydrophobicContact CD2-CD1 3.98Å; Y349-L362 HydrophobicContact CE1-CD1 4.05Å; Y349-L362 HydrophobicContact CE1-CD2 3.94Å; Y349-L362 HydrophobicContact CE2-CD1 4.03Å; Y349-L362 HydrophobicContact CG-CD1 3.95Å
350M86.7Confident84.1Confident73 Ų7366 Ų6636%0.3634%0.339SS..Hα-helixtrans-59.7-44.6174.9-69.4172.668.700111.6F294 E296 R300 L346 S347 N352 T353F294-M350 HydrophobicContact CE1-CG 3.85Å; E296-M350 HydrophobicContact CG-SD 4.23Å; E296-M350 VanDerWaalsContact OE1-SD 3.42Å; E296-M350 WeakPolarHBondContact OE2-CE 3.44Å; R300-M350 PolarHBondContact NH2-SD 3.47Å; L346-M350 VanDerWaalsContact O-CG 3.3Å; L346-M350 WeakPolarHBondContact O-CG 3.47Å; L346-M350 PolarHBondContact O-N 3.37Å; S347-M350 WeakPolarHBondContact O-CB 3.43Å; S347-M350 PolarHBondContact O-N 3.43Å; M350-N352 PolarHBondContact O-N 3.37Å; M350-T353 WeakPolarHBondContact CA-OG1 3.47Å; M350-T353 WeakPolarHBondContact O-CB 3.37Å; M350-T353 PolarHBondContact O-N 2.84Å; M350-T353 PolarHBondContact O-OG1 3.22Å
351N84.9Confident83.5Confident101 Ų10164.2 Ų64.254%0.5434%0.337SS..Hα-helixtrans-65.1-24177.8-70.3-23.8000113.8S347 E348 Y349S347-N351 VanDerWaalsContact O-CG 3.29Å; S347-N351 PolarHBondContact O-N 3.44Å; S347-N351 PolarHBondContact O-ND2 3.03Å; E348-N351 PolarHBondContact O-N 3.32Å; Y349-N351 VanDerWaalsContact C-N 3.34Å; Y349-N351 PolarHBondContact O-N 3.28Å
352N81.8Confident83.1Confident6 Ų664.1 Ų64.13%0.03234%0.336CS..THydrogen-bonded Turntrans-99.72.6178.2-77.3-81.9000114.2P291 E348 Y349 M350 G354 R355 G359 L362P291-N352 HydrophobicContact CB-CB 4.46Å; E348-N352 WeakPolarHBondContact O-CB 3.41Å; E348-N352 PolarHBondContact O-N 2.97Å; E348-N352 PolarHBondContact O-ND2 3.33Å; Y349-N352 CarbonylContact O-C 3.23Å; Y349-N352 PolarHBondContact O-N 2.97Å; Y349-N352 VanDerWaalsContact O-N 3.17Å; M350-N352 PolarHBondContact O-N 3.37Å; N352-G354 PolarHBondContact O-N 3.34Å; N352-R355 WeakPolarHBondContact O-CB 3.47Å; N352-R355 PolarHBondContact O-N 3.44Å; N352-G359 PolarHBondContact OD1-N 2.93Å; N352-L362 HydrophobicContact CB-CD2 4.15Å
353T74.5Confident82.7Confident79 Ų7966.8 Ų66.849%0.48535%0.351SS..THydrogen-bonded Turntrans-54.8124.1-179.3-48.70000111.1Y349 M350Y349-T353 PolarHBondContact O-N 2.7Å; Y349-T353 VanDerWaalsContact O-N 3.08Å; Y349-T353 PolarHBondContact O-OG1 3.24Å; M350-T353 WeakPolarHBondContact CA-OG1 3.47Å; M350-T353 WeakPolarHBondContact O-CB 3.37Å; M350-T353 PolarHBondContact O-N 2.84Å; M350-T353 PolarHBondContact O-OG1 3.22Å
354G70.1Confident82.4Confident52 Ų5269 Ų6954%0.53636%0.363SS..THydrogen-bonded Turntrans83.53.8179.500000115.8N352N352-G354 PolarHBondContact O-N 3.34Å
355R72.1Confident82.2Confident150 Ų15067 Ų6757%0.56635%0.354SS*.  trans-90.9138.8173.1-60.2-174.5-177.6-174.11.4110.8N352N352-R355 WeakPolarHBondContact O-CB 3.47Å; N352-R355 PolarHBondContact O-N 3.44Å
356K64.8Low82Confident191 Ų19167.7 Ų67.783%0.8336%0.358SS*.SBendtrans-72.8-28.2179.3-83.1-171.3175.7-177.40114M292M292-K356 HydrophobicContact CE-CB 4.09Å; M292-K356 HydrophobicContact CE-CD 4.48Å; M292-K356 HydrophobicContact CE-CG 3.25Å
357E67.2Low81.9Confident167 Ų16772.8 Ų72.878%0.7839%0.385SS*.SBendtrans-115.9136.5-177.1-66.4-178.2170.200109.5G359E357-G359 PolarHBondContact O-N 2.89Å
358K67.9Low82Confident80 Ų8074.7 Ų74.735%0.34839%0.386SS..  trans-63.7115.2172-63.2-176.9179.8-174.80107.8P291 L362 N363 I366P291-K358 HydrophobicContact CG-CG 3.91Å; K358-L362 HydrophobicContact CB-CD2 4.17Å; K358-L362 HydrophobicContact CG-CD2 4.1Å; K358-N363 WeakPolarHBondContact CB-OD1 3.45Å; K358-N363 WeakPolarHBondContact CD-OD1 3.49Å; K358-I366 HydrophobicContact CD-CD1 4.41Å
359G74.8Confident82.2Confident21 Ų2172.2 Ų72.222%0.21637%0.374CS..  trans-63.6152.717300000111.3N352 E357 P361 L362 N363N352-G359 PolarHBondContact OD1-N 2.93Å; E357-G359 PolarHBondContact O-N 2.89Å; G359-P361 VanDerWaalsContact C-N 3.26Å; G359-L362 WeakPolarHBondContact O-CB 3.33Å; G359-L362 PolarHBondContact O-N 3.06Å; G359-N363 PolarHBondContact O-N 3.42Å
360D83.2Confident82.2Confident125 Ų12575 Ų7567%0.66839%0.392SS*.Hα-helixtrans-48.7-41175.5-59.6-26.2000113.4L362 N363 I364D360-L362 VanDerWaalsContact C-N 3.31Å; D360-L362 PolarHBondContact O-N 3.5Å; D360-N363 PolarHBondContact O-N 2.94Å; D360-I364 VanDerWaalsContact O-CG1 3.28Å; D360-I364 WeakPolarHBondContact O-CG1 3.43Å; D360-I364 PolarHBondContact O-N 3.37Å
361P86.5Confident82.5Confident71 Ų7177 Ų7746%0.46140%0.399SS..Hα-helixtrans-60.1-37.1176.6-25.736.6000114.1E348 G359 I364 A365E348-P361 WeakPolarHBondContact OE2-CB 3.46Å; G359-P361 VanDerWaalsContact C-N 3.26Å; P361-I364 PolarHBondContact O-N 3.16Å; P361-A365 WeakPolarHBondContact O-CB 3.16Å; P361-A365 PolarHBondContact O-N 2.96Å
362L86.8Confident82.9Confident0 Ų074.5 Ų74.50%038%0.383CS..Hα-helixtrans-70-41.5178177.162.1000111.2P291 L345 E348 Y349 N352 K358 G359 D360 I364 A365 I366P291-L362 HydrophobicContact CG-CD2 3.75Å; L345-L362 HydrophobicContact CD1-CD1 3.98Å; E348-L362 HydrophobicContact CB-CB 4.45Å; E348-L362 HydrophobicContact CB-CD1 3.87Å; Y349-L362 HydrophobicContact CD1-CD1 4Å; Y349-L362 HydrophobicContact CD1-CD2 4.11Å; Y349-L362 HydrophobicContact CD2-CD1 3.98Å; Y349-L362 HydrophobicContact CE1-CD1 4.05Å; Y349-L362 HydrophobicContact CE1-CD2 3.94Å; Y349-L362 HydrophobicContact CE2-CD1 4.03Å; Y349-L362 HydrophobicContact CG-CD1 3.95Å; N352-L362 HydrophobicContact CB-CD2 4.15Å; K358-L362 HydrophobicContact CB-CD2 4.17Å; K358-L362 HydrophobicContact CG-CD2 4.1Å; G359-L362 WeakPolarHBondContact O-CB 3.33Å; G359-L362 PolarHBondContact O-N 3.06Å; D360-L362 VanDerWaalsContact C-N 3.31Å; D360-L362 PolarHBondContact O-N 3.5Å; L362-I364 VanDerWaalsContact C-N 3.33Å; L362-I364 PolarHBondContact O-N 2.89Å; L362-A365 PolarHBondContact O-N 3.15Å; L362-I366 HydrophobicContact CD1-CD1 4.31Å; L362-I366 HydrophobicContact CD1-CG1 4.39Å; L362-I366 HydrophobicContact CG-CD1 4.07Å; L362-I366 VanDerWaalsContact O-CG1 3.32Å; L362-I366 WeakPolarHBondContact O-CG1 3.22Å; L362-I366 PolarHBondContact O-N 3.44Å
363N87.3Confident83.5Confident58 Ų5874.2 Ų74.231%0.3138%0.381SS..Hα-helixtrans-62.3-43.5175.8-66.2-33.1000110.6K358 G359 D360 A365 I366 D367K358-N363 WeakPolarHBondContact CB-OD1 3.45Å; K358-N363 WeakPolarHBondContact CD-OD1 3.49Å; G359-N363 PolarHBondContact O-N 3.42Å; D360-N363 PolarHBondContact O-N 2.94Å; N363-A365 VanDerWaalsContact C-N 3.29Å; N363-A365 PolarHBondContact O-N 3.22Å; N363-I366 PolarHBondContact O-N 2.95Å; N363-D367 VanDerWaalsContact O-CG 3.24Å; N363-D367 PolarHBondContact O-N 3.43Å
364I90.2Very high84.3Confident113 Ų11374.4 Ų74.458%0.57937%0.373SS*.Hα-helixtrans-59.4-40.2174.7-66.8164.6000111.4D360 P361 L362 D367 K368D360-I364 VanDerWaalsContact O-CG1 3.28Å; D360-I364 WeakPolarHBondContact O-CG1 3.43Å; D360-I364 PolarHBondContact O-N 3.37Å; P361-I364 PolarHBondContact O-N 3.16Å; L362-I364 VanDerWaalsContact C-N 3.33Å; L362-I364 PolarHBondContact O-N 2.89Å; I364-D367 PolarHBondContact O-N 3.31Å; I364-K368 VanDerWaalsContact O-CB 3.26Å; I364-K368 WeakPolarHBondContact O-CB 3.43Å; I364-K368 PolarHBondContact O-N 2.98Å
365A90.7Very high85.3Confident9 Ų972.6 Ų72.67%0.07435%0.351CS..Hα-helixtrans-68.3-38.9177.300000112.7L345 E348 P361 L362 N363 K368 M369L345-A365 HydrophobicContact CD1-CB 3.97Å; E348-A365 HydrophobicContact CB-CB 4.13Å; E348-A365 HydrophobicContact CG-CB 3.86Å; P361-A365 WeakPolarHBondContact O-CB 3.16Å; P361-A365 PolarHBondContact O-N 2.96Å; L362-A365 PolarHBondContact O-N 3.15Å; N363-A365 VanDerWaalsContact C-N 3.29Å; N363-A365 PolarHBondContact O-N 3.22Å; A365-K368 PolarHBondContact O-N 2.91Å; A365-M369 WeakPolarHBondContact O-CB 3.34Å; A365-M369 PolarHBondContact O-N 3.38Å
366I89.8Confident86.3Confident15 Ų1565.4 Ų65.48%0.07732%0.324CS..Hα-helixtrans-63.3-45.7173.9-67.9166.8000110.2L345 K358 L362 N363 K368 M369 T370L345-I366 HydrophobicContact CD1-CB 4.44Å; L345-I366 HydrophobicContact CD1-CG1 3.56Å; K358-I366 HydrophobicContact CD-CD1 4.41Å; L362-I366 HydrophobicContact CD1-CD1 4.31Å; L362-I366 HydrophobicContact CD1-CG1 4.39Å; L362-I366 HydrophobicContact CG-CD1 4.07Å; L362-I366 VanDerWaalsContact O-CG1 3.32Å; L362-I366 WeakPolarHBondContact O-CG1 3.22Å; L362-I366 PolarHBondContact O-N 3.44Å; N363-I366 PolarHBondContact O-N 2.95Å; I366-K368 PolarHBondContact O-N 3.32Å; I366-M369 WeakPolarHBondContact O-CB 3.33Å; I366-M369 PolarHBondContact O-N 3.13Å; I366-T370 WeakPolarHBondContact O-CB 3.38Å; I366-T370 PolarHBondContact O-N 3.41Å; I366-T370 PolarHBondContact O-OG1 2.81Å
367D89.7Confident87.7Confident107 Ų10758 Ų5857%0.57229%0.291SS*.Hα-helixtrans-63.8-42.1178.3-66.7-19.3000110.9N363 I364 T370 K371N363-D367 VanDerWaalsContact O-CG 3.24Å; N363-D367 PolarHBondContact O-N 3.43Å; I364-D367 PolarHBondContact O-N 3.31Å; D367-T370 PolarHBondContact O-N 3.43Å; D367-K371 VanDerWaalsContact O-CB 3.27Å; D367-K371 WeakPolarHBondContact O-CB 3.31Å; D367-K371 PolarHBondContact O-N 3.31Å
368K92.7Very high88.9Confident96 Ų9650.7 Ų50.742%0.41726%0.256SS..Hα-helixtrans-61.3-44.3174.8-175.6-175.4177.9-170.80111.6D344 I364 A365 I366 K371 K372D344-K368 IonicContact OD2-NZ 3.25Å; D344-K368 PolarHBondContact OD2-NZ 2.83Å; I364-K368 VanDerWaalsContact O-CB 3.26Å; I364-K368 WeakPolarHBondContact O-CB 3.43Å; I364-K368 PolarHBondContact O-N 2.98Å; A365-K368 PolarHBondContact O-N 2.91Å; I366-K368 PolarHBondContact O-N 3.32Å; K368-K371 PolarHBondContact O-N 3.05Å; K368-K372 WeakPolarHBondContact O-CG 2.83Å; K368-K372 PolarHBondContact O-N 3.42Å
369M94.3Very high90.1Very high0 Ų047.2 Ų47.20%024%0.241CC..Hα-helixtrans-60.7-51176.5-176.272.7-113.500110.9F283 I287 V338 A341 L342 L345 A365 I366 K371 K372 T373F283-M369 HydrophobicContact CE1-CE 3.53Å; F283-M369 HydrophobicContact CE1-SD 4.31Å; F283-M369 HydrophobicContact CZ-CE 3.97Å; F283-M369 HydrophobicContact CZ-SD 4.41Å; I287-M369 HydrophobicContact CD1-CB 4.11Å; I287-M369 HydrophobicContact CD1-CG 3.48Å; I287-M369 VanDerWaalsContact CD1-CG 3.48Å; I287-M369 HydrophobicContact CG2-CG 4.27Å; V338-M369 HydrophobicContact CB-CE 4.27Å; V338-M369 HydrophobicContact CG1-CE 3.42Å; V338-M369 VanDerWaalsContact CG1-CE 3.42Å; A341-M369 VanDerWaalsContact C-SD 3.6Å; A341-M369 HydrophobicContact CB-CE 4.25Å; A341-M369 HydrophobicContact CB-SD 3.86Å; L342-M369 VanDerWaalsContact CA-SD 3.57Å; L342-M369 HydrophobicContact CB-SD 3.92Å; L342-M369 PolarHBondContact N-SD 3.33Å; L342-M369 VanDerWaalsContact N-SD 3.36Å; L345-M369 HydrophobicContact CD2-CB 4.02Å; L345-M369 HydrophobicContact CD2-CG 3.84Å; L345-M369 HydrophobicContact CD2-SD 4.46Å; A365-M369 WeakPolarHBondContact O-CB 3.34Å; A365-M369 PolarHBondContact O-N 3.38Å; I366-M369 WeakPolarHBondContact O-CB 3.33Å; I366-M369 PolarHBondContact O-N 3.13Å; M369-K371 VanDerWaalsContact C-N 3.32Å; M369-K371 PolarHBondContact O-N 3.5Å; M369-K372 PolarHBondContact O-N 2.96Å; M369-T373 PolarHBondContact O-N 2.89Å; M369-T373 PolarHBondContact O-OG1 2.82Å; M369-T373 VanDerWaalsContact O-OG1 3.12Å
370T90.8Very high91.1Very high60 Ų6046.2 Ų46.237%0.36823%0.231SC..Hα-helixtrans-59.6-43.6179-520000111.2I366 D367 K372 T373 R374I366-T370 WeakPolarHBondContact O-CB 3.38Å; I366-T370 PolarHBondContact O-N 3.41Å; I366-T370 PolarHBondContact O-OG1 2.81Å; D367-T370 PolarHBondContact O-N 3.43Å; T370-K372 VanDerWaalsContact C-N 3.34Å; T370-K372 PolarHBondContact O-N 3.37Å; T370-T373 PolarHBondContact O-N 3.47Å; T370-R374 WeakPolarHBondContact O-CB 3.37Å; T370-R374 PolarHBondContact O-N 3.36Å
371K91.3Very high91.6Very high117 Ų11743.2 Ų43.251%0.50921%0.21SC..Hα-helixtrans-59.3-43.3174.2-178.9175.9178.4174.90111.7D367 K368 M369 R374 D375D367-K371 VanDerWaalsContact O-CB 3.27Å; D367-K371 WeakPolarHBondContact O-CB 3.31Å; D367-K371 PolarHBondContact O-N 3.31Å; K368-K371 PolarHBondContact O-N 3.05Å; M369-K371 VanDerWaalsContact C-N 3.32Å; M369-K371 PolarHBondContact O-N 3.5Å; K371-R374 WeakPolarHBondContact O-CB 3.45Å; K371-R374 PolarHBondContact O-N 2.79Å; K371-D375 PolarHBondContact O-N 3.37Å
372K94.7Very high91.9Very high47 Ų4739.9 Ų39.920%0.20419%0.188CC..Hα-helixtrans-70.1-37.2178.9-73-44.8-164.9172.90113.7E334 A337 V338 A341 K368 M369 T370 R374 D375 L376E334-K372 IonicContact OE1-NZ 3.26Å; E334-K372 PolarHBondContact OE1-NZ 3.13Å; E334-K372 IonicContact OE2-NZ 2.74Å; E334-K372 PolarHBondContact OE2-NZ 2.98Å; A337-K372 HydrophobicContact CB-CD 4.05Å; A337-K372 HydrophobicContact CB-CG 4.35Å; V338-K372 HydrophobicContact CG2-CB 3.91Å; V338-K372 WeakPolarHBondContact CG2-O 3.49Å; A341-K372 HydrophobicContact CB-CB 4.26Å; A341-K372 HydrophobicContact CB-CG 4.2Å; K368-K372 WeakPolarHBondContact O-CG 2.83Å; K368-K372 PolarHBondContact O-N 3.42Å; M369-K372 PolarHBondContact O-N 2.96Å; T370-K372 VanDerWaalsContact C-N 3.34Å; T370-K372 PolarHBondContact O-N 3.37Å; K372-R374 VanDerWaalsContact C-N 3.27Å; K372-R374 PolarHBondContact O-N 2.99Å; K372-D375 IonicContact NZ-OD2 3.06Å; K372-D375 PolarHBondContact NZ-OD2 2.97Å; K372-D375 PolarHBondContact O-N 3.37Å; K372-L376 PolarHBondContact O-N 3.44Å
373T92.9Very high92.3Very high1 Ų139.9 Ų39.91%0.00619%0.188CC..Hα-helixtrans-63.6-36.1170.5-39.70000111.4L280 F283 D284 M369 T370 R377L280-T373 HydrophobicContact CD2-CG2 3.55Å; F283-T373 HydrophobicContact CD1-CG2 4.41Å; D284-T373 WeakPolarHBondContact OD1-CB 3.2Å; D284-T373 VanDerWaalsContact OD1-CG2 3.3Å; D284-T373 WeakPolarHBondContact OD1-CG2 3.34Å; D284-T373 PolarHBondContact OD1-OG1 3.39Å; M369-T373 PolarHBondContact O-N 2.89Å; M369-T373 PolarHBondContact O-OG1 2.82Å; M369-T373 VanDerWaalsContact O-OG1 3.12Å; T370-T373 PolarHBondContact O-N 3.47Å; T373-R377 PolarHBondContact O-N 3.02Å
374R91.4Very high92.7Very high83 Ų8337.1 Ų37.131%0.31317%0.174SC..Hα-helixtrans-67.2-44.1175.7-170.5171.873169.84.5112.4T370 K371 K372 L376 R377 R378 E637 D638T370-R374 WeakPolarHBondContact O-CB 3.37Å; T370-R374 PolarHBondContact O-N 3.36Å; K371-R374 WeakPolarHBondContact O-CB 3.45Å; K371-R374 PolarHBondContact O-N 2.79Å; K372-R374 VanDerWaalsContact C-N 3.27Å; K372-R374 PolarHBondContact O-N 2.99Å; R374-L376 VanDerWaalsContact C-N 3.35Å; R374-L376 PolarHBondContact O-N 2.67Å; R374-R377 WeakPolarHBondContact O-CB 3.3Å; R374-R377 PolarHBondContact O-N 3.07Å; R374-R378 PolarHBondContact O-N 2.9Å; R374-E637 IonicContact NH1-OE2 3.72Å; R374-E637 PolarHBondContact NH1-OE2 3.48Å; R374-D638 WeakPolarHBondContact CD-OD1 3.32Å; R374-D638 IonicContact CZ-OD1 3.55Å; R374-D638 IonicContact NE-OD1 2.84Å
375D91.2Very high93Very high13 Ų1332 Ų327%0.0715%0.147CC..Hα-helixtrans-59.8-44.2174.4-72.2-26.4000111.4E334 K371 K372 R378 Q379E334-D375 HydrophobicContact CG-CB 4.27Å; K371-D375 PolarHBondContact O-N 3.37Å; K372-D375 IonicContact NZ-OD2 3.06Å; K372-D375 PolarHBondContact NZ-OD2 2.97Å; K372-D375 PolarHBondContact O-N 3.37Å; D375-R378 WeakPolarHBondContact O-CB 3.45Å; D375-R378 PolarHBondContact O-N 3.44Å; D375-R378 IonicContact OD1-CZ 3.37Å; D375-R378 IonicContact OD1-NH1 3.54Å; D375-R378 PolarHBondContact OD1-NH1 2.88Å; D375-R378 IonicContact OD1-NH2 2.83Å; D375-R378 PolarHBondContact OD1-NH2 3.4Å; D375-Q379 PolarHBondContact O-N 3Å; D375-Q379 VanDerWaalsContact O-N 3.11Å
376L94.8Very high93.2Very high0 Ų031.5 Ų31.50%014%0.144CC..Hα-helixtrans-60.3-49.3173.9178.660000111.2L280 I310 I331 E334 V338 K372 R374 R378 Q379 L380L280-L376 HydrophobicContact CD2-CD2 4.43Å; I310-L376 HydrophobicContact CG2-CD2 4.08Å; I331-L376 HydrophobicContact CG2-CD1 4.48Å; E334-L376 HydrophobicContact CB-CB 4.28Å; E334-L376 HydrophobicContact CB-CD1 4.2Å; V338-L376 HydrophobicContact CG2-CB 4.05Å; V338-L376 HydrophobicContact CG2-CD2 4.12Å; K372-L376 PolarHBondContact O-N 3.44Å; R374-L376 VanDerWaalsContact C-N 3.35Å; R374-L376 PolarHBondContact O-N 2.67Å; L376-R378 VanDerWaalsContact C-N 3.26Å; L376-R378 PolarHBondContact O-N 3.17Å; L376-Q379 PolarHBondContact O-N 3.11Å; L376-Q379 VanDerWaalsContact O-N 3.15Å; L376-L380 HydrophobicContact CD1-CD1 4.17Å; L376-L380 HydrophobicContact CD1-CD2 4.29Å; L376-L380 HydrophobicContact CD1-CG 4.06Å; L376-L380 HydrophobicContact CG-CD1 3.93Å; L376-L380 HydrophobicContact CG-CG 4.27Å; L376-L380 VanDerWaalsContact O-CG 3.24Å; L376-L380 WeakPolarHBondContact O-CG 3.43Å; L376-L380 PolarHBondContact O-N 2.78Å
377R93.8Very high93.5Very high36 Ų3630.9 Ų30.914%0.13614%0.14CC..Hα-helixtrans-51.6-45.1175.5-86-173.7-17394.4-15.6112.2L280 N281 D284 T373 R374 L380 R381L280-R377 VanDerWaalsContact CB-CZ 3.44Å; L280-R377 VanDerWaalsContact CB-NH2 3.32Å; L280-R377 HydrophobicContact CD1-CG 3.73Å; L280-R377 HydrophobicContact CD2-CG 4.49Å; L280-R377 PolarHBondContact O-NH2 3.46Å; L280-R377 VanDerWaalsContact O-NH2 3.16Å; N281-R377 PolarHBondContact OD1-NH2 3.31Å; D284-R377 IonicContact OD2-CZ 3.38Å; D284-R377 IonicContact OD2-NH1 3.45Å; D284-R377 PolarHBondContact OD2-NH1 3.1Å; D284-R377 IonicContact OD2-NH2 3.48Å; D284-R377 PolarHBondContact OD2-NH2 3.25Å; T373-R377 PolarHBondContact O-N 3.02Å; R374-R377 WeakPolarHBondContact O-CB 3.3Å; R374-R377 PolarHBondContact O-N 3.07Å; R377-L380 PolarHBondContact O-N 3.16Å; R377-R381 WeakPolarHBondContact O-CG 3.5Å; R377-R381 PolarHBondContact O-N 3.26Å
378R91.2Very high93.7Very high12 Ų1225.8 Ų25.85%0.04511%0.113CC..Hα-helixtrans-61-48.4178.5-179.9172.173.5-105.3-4.1112.2R374 D375 L376 L380 R381 K382 D638 S640R374-R378 PolarHBondContact O-N 2.9Å; D375-R378 WeakPolarHBondContact O-CB 3.45Å; D375-R378 PolarHBondContact O-N 3.44Å; D375-R378 IonicContact OD1-CZ 3.37Å; D375-R378 IonicContact OD1-NH1 3.54Å; D375-R378 PolarHBondContact OD1-NH1 2.88Å; D375-R378 IonicContact OD1-NH2 2.83Å; D375-R378 PolarHBondContact OD1-NH2 3.4Å; L376-R378 VanDerWaalsContact C-N 3.26Å; L376-R378 PolarHBondContact O-N 3.17Å; R378-L380 VanDerWaalsContact C-N 3.26Å; R378-L380 PolarHBondContact O-N 2.82Å; R378-R381 PolarHBondContact O-N 3.47Å; R378-K382 HydrophobicContact CG-CD 4.49Å; R378-K382 WeakPolarHBondContact O-CG 3.33Å; R378-K382 PolarHBondContact O-N 3.02Å; R378-D638 WeakPolarHBondContact CD-O 3.48Å; R378-D638 PolarHBondContact NE-O 3.37Å; R378-D638 PolarHBondContact NH1-O 2.93Å; R378-S640 VanDerWaalsContact CZ-OG 3.28Å; R378-S640 PolarHBondContact NE-OG 3.26Å; R378-S640 PolarHBondContact NH2-OG 3.28Å
379Q94Very high93.8Very high7 Ų721.3 Ų21.33%0.0339%0.094CC..Hα-helixtrans-62.8-36.4177.8-65.8-55.7-36.900112R330 I331 E334 D375 L376 K382 A383R330-Q379 HydrophobicContact CB-CG 4.32Å; I331-Q379 HydrophobicContact CG1-CB 3.88Å; E334-Q379 HydrophobicContact CG-CG 4.12Å; D375-Q379 PolarHBondContact O-N 3Å; D375-Q379 VanDerWaalsContact O-N 3.11Å; L376-Q379 PolarHBondContact O-N 3.11Å; L376-Q379 VanDerWaalsContact O-N 3.15Å; Q379-K382 PolarHBondContact O-N 3.45Å; Q379-A383 WeakPolarHBondContact O-CB 3.35Å; Q379-A383 PolarHBondContact O-N 3.26Å
380L95.1Very high93.7Very high1 Ų123.5 Ų23.51%0.00511%0.106CC..Hα-helixtrans-65.4-45.5174.7-64.1175000111.9L276 L280 A314 M317 I331 L376 R377 R378 K382 A383 V384 I438L276-L380 HydrophobicContact CD2-CD1 3.9Å; L280-L380 HydrophobicContact CD1-CD1 4.19Å; A314-L380 HydrophobicContact CB-CD2 3.59Å; M317-L380 VanDerWaalsContact CE-CA 3.4Å; M317-L380 HydrophobicContact CE-CB 3.54Å; M317-L380 HydrophobicContact CE-CD2 3.21Å; M317-L380 HydrophobicContact CE-CG 3.91Å; M317-L380 VanDerWaalsContact CE-O 3.27Å; M317-L380 WeakPolarHBondContact CE-O 3.16Å; I331-L380 HydrophobicContact CG2-CD2 4.29Å; L376-L380 HydrophobicContact CD1-CD1 4.17Å; L376-L380 HydrophobicContact CD1-CD2 4.29Å; L376-L380 HydrophobicContact CD1-CG 4.06Å; L376-L380 HydrophobicContact CG-CD1 3.93Å; L376-L380 HydrophobicContact CG-CG 4.27Å; L376-L380 VanDerWaalsContact O-CG 3.24Å; L376-L380 WeakPolarHBondContact O-CG 3.43Å; L376-L380 PolarHBondContact O-N 2.78Å; R377-L380 PolarHBondContact O-N 3.16Å; R378-L380 VanDerWaalsContact C-N 3.26Å; R378-L380 PolarHBondContact O-N 2.82Å; L380-K382 PolarHBondContact O-N 3.12Å; L380-A383 PolarHBondContact O-N 2.96Å; L380-V384 PolarHBondContact O-N 3.38Å; L380-I438 HydrophobicContact CB-CG2 4.48Å
381R94.3Very high93.9Very high62 Ų6221.3 Ų21.323%0.2349%0.092CC..Hα-helixtrans-56.4-48.7173.8-71-165.5-58-102.39.9111.5R377 R378 A383 V384 M385 I438 D508 D638R377-R381 WeakPolarHBondContact O-CG 3.5Å; R377-R381 PolarHBondContact O-N 3.26Å; R378-R381 PolarHBondContact O-N 3.47Å; R381-A383 VanDerWaalsContact C-N 3.31Å; R381-A383 PolarHBondContact O-N 3.45Å; R381-V384 WeakPolarHBondContact O-CB 3.45Å; R381-V384 PolarHBondContact O-N 2.99Å; R381-M385 WeakPolarHBondContact O-CG 3.31Å; R381-M385 PolarHBondContact O-N 3.32Å; R381-I438 HydrophobicContact CB-CD1 4.28Å; R381-I438 HydrophobicContact CG-CD1 3.96Å; R381-D508 WeakPolarHBondContact CB-OD2 3.26Å; R381-D508 VanDerWaalsContact CD-OD2 3.32Å; R381-D508 WeakPolarHBondContact CD-OD2 3.44Å; R381-D508 IonicContact CZ-OD2 3.9Å; R381-D508 IonicContact NE-OD2 3.64Å; R381-D508 PolarHBondContact NE-OD2 2.89Å; R381-D638 IonicContact CZ-OD2 2.66Å; R381-D638 IonicContact NH1-OD2 3.66Å; R381-D638 IonicContact NH2-OD2 2.87Å; R381-D638 PolarHBondContact NH2-OD2 3.2Å
382K93.5Very high94Very high1 Ų115.9 Ų15.90%0.0047%0.069CC..Hα-helixtrans-62.2-36.3178-69.7-175.7173.6-173.50112.7R378 Q379 L380 M385 D386 S511 V512 D641R378-K382 HydrophobicContact CG-CD 4.49Å; R378-K382 WeakPolarHBondContact O-CG 3.33Å; R378-K382 PolarHBondContact O-N 3.02Å; Q379-K382 PolarHBondContact O-N 3.45Å; L380-K382 PolarHBondContact O-N 3.12Å; K382-M385 WeakPolarHBondContact O-CB 3.25Å; K382-M385 PolarHBondContact O-N 3.13Å; K382-M385 VanDerWaalsContact O-N 3.17Å; K382-D386 PolarHBondContact O-N 2.92Å; K382-S511 PolarHBondContact NZ-OG 2.97Å; K382-V512 HydrophobicContact CB-CG2 3.94Å; K382-V512 HydrophobicContact CG-CG2 4.14Å; K382-D641 IonicContact NZ-OD2 2.89Å; K382-D641 PolarHBondContact NZ-OD2 3.11Å
383A95.3Very high93.8Very high0 Ų015.1 Ų15.10%07%0.067CC..Hα-helixtrans-66.9-39.7174.800000112.4M317 T323 R327 I331 Q379 L380 R381 M385 D386 H387M317-A383 HydrophobicContact CE-CB 3.82Å; M317-A383 HydrophobicContact CG-CB 4.12Å; M317-A383 HydrophobicContact SD-CB 4.07Å; T323-A383 HydrophobicContact CG2-CB 4.26Å; R327-A383 VanDerWaalsContact CD-CA 3.41Å; I331-A383 HydrophobicContact CD1-CB 3.86Å; Q379-A383 WeakPolarHBondContact O-CB 3.35Å; Q379-A383 PolarHBondContact O-N 3.26Å; L380-A383 PolarHBondContact O-N 2.96Å; R381-A383 VanDerWaalsContact C-N 3.31Å; R381-A383 PolarHBondContact O-N 3.45Å; A383-M385 VanDerWaalsContact C-N 3.26Å; A383-M385 PolarHBondContact O-N 2.94Å; A383-D386 WeakPolarHBondContact O-CB 3.48Å; A383-D386 PolarHBondContact O-N 3.35Å; A383-D386 VanDerWaalsContact O-N 3.16Å; A383-H387 PolarHBondContact O-CD2 3.46Å; A383-H387 PolarHBondContact O-N 2.89Å
384V95.9Very high93.4Very high0 Ų019.5 Ų19.50%09%0.087CC..Hα-helixtrans-59.2-41.6169.6171.20000111M317 L380 R381 D386 H387 I388 L434 A435 I438M317-V384 HydrophobicContact CE-CG2 4.34Å; M317-V384 HydrophobicContact SD-CG2 3.38Å; M317-V384 WeakPolarHBondContact SD-CG2 3.4Å; L380-V384 PolarHBondContact O-N 3.38Å; R381-V384 WeakPolarHBondContact O-CB 3.45Å; R381-V384 PolarHBondContact O-N 2.99Å; V384-D386 VanDerWaalsContact C-N 3.29Å; V384-D386 PolarHBondContact O-N 2.99Å; V384-H387 WeakPolarHBondContact O-CB 3.36Å; V384-H387 PolarHBondContact O-N 3.44Å; V384-H387 VanDerWaalsContact O-N 3.12Å; V384-I388 HydrophobicContact CG1-CD1 3.67Å; V384-I388 HydrophobicContact CG1-CG1 4.22Å; V384-I388 WeakPolarHBondContact O-CG1 3.33Å; V384-I388 PolarHBondContact O-N 3.43Å; V384-L434 HydrophobicContact CG2-CD2 4.13Å; V384-L434 HydrophobicContact CG2-CG 3.83Å; V384-A435 HydrophobicContact CG1-CB 3.8Å; V384-I438 HydrophobicContact CB-CD1 3.6Å; V384-I438 HydrophobicContact CG1-CD1 3.97Å; V384-I438 HydrophobicContact CG2-CD1 3.29Å; V384-I438 HydrophobicContact CG2-CG1 3.86Å; V384-I438 HydrophobicContact CG2-CG2 4.47Å
385M95.1Very high93.4Very high4 Ų416.5 Ų16.52%0.028%0.078CC..Hα-helixtrans-63.2-33.3176.5-59.8-41.5-58.600112.7R381 K382 A383 H387 I388 S389 T504 D508 F509 V512R381-M385 WeakPolarHBondContact O-CG 3.31Å; R381-M385 PolarHBondContact O-N 3.32Å; K382-M385 WeakPolarHBondContact O-CB 3.25Å; K382-M385 PolarHBondContact O-N 3.13Å; K382-M385 VanDerWaalsContact O-N 3.17Å; A383-M385 VanDerWaalsContact C-N 3.26Å; A383-M385 PolarHBondContact O-N 2.94Å; M385-H387 VanDerWaalsContact C-N 3.31Å; M385-H387 PolarHBondContact O-N 3.49Å; M385-I388 HydrophobicContact CE-CB 4.46Å; M385-I388 HydrophobicContact CE-CD1 4.09Å; M385-I388 HydrophobicContact CE-CG2 4.44Å; M385-I388 PolarHBondContact O-N 3.48Å; M385-I388 HydrophobicContact SD-CD1 3.97Å; M385-S389 WeakPolarHBondContact O-CB 3.42Å; M385-S389 PolarHBondContact O-N 3.33Å; M385-T504 HydrophobicContact CE-CG2 4.49Å; M385-T504 HydrophobicContact SD-CG2 3.86Å; M385-D508 HydrophobicContact CG-CB 3.8Å; M385-F509 HydrophobicContact CE-CB 3.52Å; M385-F509 HydrophobicContact CE-CD2 3.45Å; M385-F509 VanDerWaalsContact CE-CD2 3.45Å; M385-F509 HydrophobicContact CE-CG 3.94Å; M385-V512 HydrophobicContact CB-CB 3.94Å; M385-V512 HydrophobicContact CB-CG1 4.12Å; M385-V512 HydrophobicContact CB-CG2 3.81Å
386D95.2Very high93.5Very high0 Ų018.2 Ų18.20%09%0.087CC..Hα-helixtrans-58.1-48.3172.2-67.6-10.7000110.6C322 R324 R327 K382 A383 V384 I388 S389 D390 V512 H516C322-D386 WeakPolarHBondContact O-CB 3.4Å; R324-D386 PolarHBondContact N-OD2 3.24Å; R327-D386 VanDerWaalsContact CD-OD2 3.31Å; R327-D386 WeakPolarHBondContact CD-OD2 3.28Å; R327-D386 IonicContact CZ-OD1 2.63Å; R327-D386 IonicContact CZ-OD2 3.54Å; R327-D386 IonicContact NE-OD1 2.77Å; R327-D386 PolarHBondContact NE-OD1 3.3Å; R327-D386 IonicContact NE-OD2 3.26Å; R327-D386 PolarHBondContact NE-OD2 3.4Å; R327-D386 IonicContact NH2-OD1 3.78Å; R327-D386 PolarHBondContact NH2-OD1 2.95Å; R327-D386 IonicContact NH2-OD2 2.59Å; K382-D386 PolarHBondContact O-N 2.92Å; A383-D386 WeakPolarHBondContact O-CB 3.48Å; A383-D386 PolarHBondContact O-N 3.35Å; A383-D386 VanDerWaalsContact O-N 3.16Å; V384-D386 VanDerWaalsContact C-N 3.29Å; V384-D386 PolarHBondContact O-N 2.99Å; D386-I388 PolarHBondContact O-N 3.5Å; D386-S389 PolarHBondContact O-N 3.04Å; D386-D390 PolarHBondContact O-N 3.01Å; D386-V512 WeakPolarHBondContact OD1-CG1 3.43Å; D386-H516 IonicContact OD1-CE1 3.09Å; D386-H516 IonicContact OD1-NE2 3.7Å; D386-H516 PolarHBondContact OD1-NE2 2.92Å
387H95.2Very high93.4Very high2 Ų221.5 Ų21.51%0.00911%0.107CC..Hα-helixtrans-64.7-41.4-178.1-71.3-136.6000111.8S320 C322 T323 A383 V384 M385 S391 V431 L434S320-H387 WeakPolarHBondContact CB-CE1 3.26Å; S320-H387 PolarHBondContact OG-CE1 2.93Å; C322-H387 HydrophobicContact CB-CB 4.16Å; C322-H387 VanDerWaalsContact CB-CD2 3.4Å; C322-H387 WeakPolarHBondContact CB-CD2 3.47Å; T323-H387 PolarHBondContact OG1-NE2 3.44Å; A383-H387 PolarHBondContact O-CD2 3.46Å; A383-H387 PolarHBondContact O-N 2.89Å; V384-H387 WeakPolarHBondContact O-CB 3.36Å; V384-H387 PolarHBondContact O-N 3.44Å; V384-H387 VanDerWaalsContact O-N 3.12Å; M385-H387 VanDerWaalsContact C-N 3.31Å; M385-H387 PolarHBondContact O-N 3.49Å; H387-S391 WeakPolarHBondContact O-CB 3.41Å; H387-S391 PolarHBondContact O-N 2.95Å; H387-S391 PolarHBondContact O-OG 3.4Å; H387-V431 HydrophobicContact CB-CB 4.49Å; H387-V431 HydrophobicContact CB-CG1 3.79Å; H387-V431 HydrophobicContact CB-CG2 3.87Å; H387-L434 HydrophobicContact CB-CD2 4.35Å; H387-L434 WeakPolarHBondContact ND1-CD2 3.49Å
388I95.6Very high93.5Very high0 Ų020.8 Ų20.80%011%0.107CC..Hα-helixtrans-64.6-48.6176.6-68.3169.8000110V384 M385 D386 D390 S391 F392 V431 A435 V500 T504V384-I388 HydrophobicContact CG1-CD1 3.67Å; V384-I388 HydrophobicContact CG1-CG1 4.22Å; V384-I388 WeakPolarHBondContact O-CG1 3.33Å; V384-I388 PolarHBondContact O-N 3.43Å; M385-I388 HydrophobicContact CE-CB 4.46Å; M385-I388 HydrophobicContact CE-CD1 4.09Å; M385-I388 HydrophobicContact CE-CG2 4.44Å; M385-I388 PolarHBondContact O-N 3.48Å; M385-I388 HydrophobicContact SD-CD1 3.97Å; D386-I388 PolarHBondContact O-N 3.5Å; I388-D390 PolarHBondContact O-N 2.82Å; I388-S391 PolarHBondContact O-N 2.96Å; I388-F392 HydrophobicContact CG2-CD2 4.26Å; I388-F392 WeakPolarHBondContact O-CB 3.48Å; I388-F392 PolarHBondContact O-N 3.36Å; I388-V431 HydrophobicContact CB-CG1 4.43Å; I388-V431 HydrophobicContact CG1-CG1 3.66Å; I388-A435 HydrophobicContact CD1-CB 4.11Å; I388-V500 HydrophobicContact CD1-CG1 3.6Å; I388-V500 HydrophobicContact CG1-CG1 4.01Å; I388-V500 HydrophobicContact CG2-CG1 4.42Å; I388-T504 HydrophobicContact CD1-CG2 3.61Å
389S93.8Very high93.9Very high2 Ų220.3 Ų20.31%0.01411%0.106CC..Hα-helixtrans-60.2-35.2-177.4-1640000111.8M385 D386 H516 R546M385-S389 WeakPolarHBondContact O-CB 3.42Å; M385-S389 PolarHBondContact O-N 3.33Å; D386-S389 PolarHBondContact O-N 3.04Å; S389-H516 PolarHBondContact OG-ND1 3.35Å; S389-R546 VanDerWaalsContact C-NH1 3.3Å; S389-R546 PolarHBondContact O-NH1 3.43Å; S389-R546 VanDerWaalsContact O-NH1 3.1Å; S389-R546 PolarHBondContact OG-NH1 3.46Å
390D93.2Very high94.1Very high46 Ų4623.9 Ų23.925%0.24613%0.125CC..Hα-helixtrans-84.9-44.6177.7-68.5-14.7000113R324 D386 I388 H516 R546R324-D390 IonicContact CZ-OD2 3.74Å; R324-D390 IonicContact NH1-OD2 3.14Å; R324-D390 PolarHBondContact NH1-OD2 2.9Å; R324-D390 IonicContact NH2-OD1 3.44Å; R324-D390 PolarHBondContact NH2-OD1 3.08Å; R324-D390 IonicContact NH2-OD2 3.91Å; R324-D390 PolarHBondContact NH2-OD2 3.09Å; D386-D390 PolarHBondContact O-N 3.01Å; I388-D390 PolarHBondContact O-N 2.82Å; D390-H516 IonicContact OD1-CE1 2.74Å; D390-H516 IonicContact OD1-ND1 2.72Å; D390-R546 IonicContact OD1-CZ 3.45Å; D390-R546 VanDerWaalsContact OD1-CZ 3.26Å; D390-R546 IonicContact OD1-NH1 3.1Å; D390-R546 PolarHBondContact OD1-NH1 3.3Å; D390-R546 IonicContact OD1-NH2 2.85Å; D390-R546 PolarHBondContact OD1-NH2 3.19Å
391S93.6Very high94.1Very high13 Ų1326.3 Ų26.39%0.09114%0.139CC..Hα-helixtrans-79.5-28.9-171.5-52.60000113.5H387 I388 K427 L428 V431H387-S391 WeakPolarHBondContact O-CB 3.41Å; H387-S391 PolarHBondContact O-N 2.95Å; H387-S391 PolarHBondContact O-OG 3.4Å; I388-S391 PolarHBondContact O-N 2.96Å; S391-K427 WeakPolarHBondContact OG-CE 3.44Å; S391-L428 VanDerWaalsContact O-CD2 3.25Å; S391-L428 WeakPolarHBondContact O-CD2 3.41Å; S391-V431 WeakPolarHBondContact OG-CG2 3.49Å
392F94.2Very high94.3Very high4 Ų423.4 Ų23.42%0.01813%0.128CC..THydrogen-bonded Turntrans-99.516.7-179.8-71.2-98.2000113.5I388 T395 L428 V431 A432 L496 T497 V500 R549I388-F392 HydrophobicContact CG2-CD2 4.26Å; I388-F392 WeakPolarHBondContact O-CB 3.48Å; I388-F392 PolarHBondContact O-N 3.36Å; F392-T395 HydrophobicContact CB-CG2 4.35Å; F392-T395 HydrophobicContact CD1-CG2 4.44Å; F392-L428 HydrophobicContact CD1-CD2 3.88Å; F392-L428 HydrophobicContact CD2-CD2 4.21Å; F392-L428 HydrophobicContact CE1-CD2 3.89Å; F392-L428 HydrophobicContact CE2-CD2 4.2Å; F392-L428 HydrophobicContact CG-CD2 4.06Å; F392-L428 HydrophobicContact CZ-CB 4.46Å; F392-L428 HydrophobicContact CZ-CD2 4.05Å; F392-V431 HydrophobicContact CD2-CG1 4.28Å; F392-V431 HydrophobicContact CE2-CB 4.11Å; F392-V431 HydrophobicContact CE2-CG1 3.83Å; F392-A432 HydrophobicContact CZ-CB 4.45Å; F392-L496 HydrophobicContact CE1-CD2 4.07Å; F392-L496 HydrophobicContact CE1-CG 4.02Å; F392-L496 HydrophobicContact CZ-CD2 4.11Å; F392-L496 HydrophobicContact CZ-CG 4.2Å; F392-T497 HydrophobicContact CD1-CG2 4.1Å; F392-T497 WeakPolarHBondContact CD1-OG1 3.45Å; F392-V500 HydrophobicContact CZ-CG2 4.17Å; F392-R549 VanDerWaalsContact CB-NH1 3.28Å; F392-R549 PolarHBondContact O-NH1 2.89Å
393L89.8Confident94.6Very high31 Ų3123.6 Ų23.616%0.16213%0.13CC..SBendtrans-79.7-58.9-179.1-170.258.9000112.4A542 R546L393-A542 HydrophobicContact CD2-CB 3.92Å; L393-R546 HydrophobicContact CD1-CB 4.35Å; L393-R546 HydrophobicContact CD1-CG 3.68Å; L393-R546 VanDerWaalsContact CD1-N 3.3Å; L393-R546 HydrophobicContact CD2-CG 4.11Å
394E85.6Confident94.7Very high92 Ų9229.3 Ų29.343%0.4316%0.156SC..SBendtrans-114.256.6-174.3-65.6-167.5161.600112.1N396 V397E394-N396 PolarHBondContact O-N 3.5Å; E394-N396 VanDerWaalsContact O-N 3.09Å; E394-V397 HydrophobicContact CB-CG2 4.03Å; E394-V397 PolarHBondContact O-N 3.26Å
395T90.2Very high94.8Very high20 Ų2029.5 Ų29.512%0.12316%0.158CC..THydrogen-bonded Turntrans-67.7-17.5-166.958.70000115.6F392 H424 L428 V493F392-T395 HydrophobicContact CB-CG2 4.35Å; F392-T395 HydrophobicContact CD1-CG2 4.44Å; T395-H424 PolarHBondContact O-CE1 3.01Å; T395-H424 VanDerWaalsContact O-CE1 3.23Å; T395-L428 HydrophobicContact CG2-CD2 4.15Å; T395-V493 HydrophobicContact CG2-CG1 4.05Å
396N93.5Very high94.9Very high50 Ų5029.3 Ų29.327%0.26716%0.157SC..THydrogen-bonded Turntrans-100.6-16-175.3-66.1-41.9000114.2E394 L399 L400E394-N396 PolarHBondContact O-N 3.5Å; E394-N396 VanDerWaalsContact O-N 3.09Å; N396-L399 WeakPolarHBondContact O-CB 3.35Å; N396-L399 PolarHBondContact O-N 3.47Å; N396-L399 VanDerWaalsContact O-N 3.15Å; N396-L400 WeakPolarHBondContact O-CG 3.44Å; N396-L400 PolarHBondContact O-N 2.87Å
397V93.8Very high95Very high69 Ų6934.2 Ų34.242%0.41818%0.178SC..Hα-helixtrans-59.1-48.4-173.4174.40000111.9E394 L399 L400 V401E394-V397 HydrophobicContact CB-CG2 4.03Å; E394-V397 PolarHBondContact O-N 3.26Å; V397-L399 VanDerWaalsContact C-N 3.26Å; V397-L399 PolarHBondContact O-N 3.09Å; V397-L400 PolarHBondContact O-N 3.02Å; V397-L400 VanDerWaalsContact O-N 3.17Å; V397-V401 HydrophobicContact CG1-CG2 4.35Å; V397-V401 WeakPolarHBondContact O-CG2 3.39Å; V397-V401 PolarHBondContact O-N 3.37Å; V397-V401 VanDerWaalsContact O-N 3.1Å
398P96.3Very high95.1Very high21 Ų2137.7 Ų37.714%0.13620%0.203CC..Hα-helixtrans-60.4-33.3178.1-26.237.6000113.8L402 F421 H424P398-L402 VanDerWaalsContact O-CB 3.31Å; P398-L402 WeakPolarHBondContact O-CB 3.49Å; P398-L402 PolarHBondContact O-N 3.34Å; P398-L402 VanDerWaalsContact O-N 3.15Å; P398-F421 HydrophobicContact CB-CB 4.42Å; P398-F421 HydrophobicContact CB-CD2 4.23Å; P398-H424 HydrophobicContact CB-CB 4.32Å; P398-H424 HydrophobicContact CG-CB 3.95Å
399L98.3Very high95.2Very high1 Ų139 Ų391%0.00522%0.216CC..Hα-helixtrans-67.6-45.8176.4177.668.6000111.5N396 V397 L402 I403 F421 V462 K486 W489 E490N396-L399 WeakPolarHBondContact O-CB 3.35Å; N396-L399 PolarHBondContact O-N 3.47Å; N396-L399 VanDerWaalsContact O-N 3.15Å; V397-L399 VanDerWaalsContact C-N 3.26Å; V397-L399 PolarHBondContact O-N 3.09Å; L399-L402 PolarHBondContact O-N 3.05Å; L399-I403 HydrophobicContact CD1-CD1 3.96Å; L399-I403 HydrophobicContact CD1-CG1 4.43Å; L399-I403 HydrophobicContact CG-CD1 3.9Å; L399-I403 VanDerWaalsContact O-CG1 3.29Å; L399-I403 WeakPolarHBondContact O-CG1 3.42Å; L399-I403 PolarHBondContact O-N 2.96Å; L399-F421 HydrophobicContact CB-CD2 4.28Å; L399-F421 HydrophobicContact CB-CE2 3.96Å; L399-F421 HydrophobicContact CD1-CE2 3.88Å; L399-F421 HydrophobicContact CD1-CZ 4.29Å; L399-V462 HydrophobicContact CD1-CG1 3.47Å; L399-V462 VanDerWaalsContact CD1-CG1 3.47Å; L399-K486 HydrophobicContact CD2-CG 3.77Å; L399-K486 HydrophobicContact CG-CG 4.41Å; L399-W489 HydrophobicContact CD2-CG 4.31Å; L399-E490 HydrophobicContact CD2-CG 3.9Å
400L97.7Very high95.2Very high83 Ų8342.1 Ų42.144%0.43523%0.233SC..Hα-helixtrans-65.1-43.5-177.4-67175.3000111.4N396 V397 I403 E404N396-L400 WeakPolarHBondContact O-CG 3.44Å; N396-L400 PolarHBondContact O-N 2.87Å; V397-L400 PolarHBondContact O-N 3.02Å; V397-L400 VanDerWaalsContact O-N 3.17Å; L400-I403 PolarHBondContact O-N 2.99Å; L400-E404 PolarHBondContact O-N 2.97Å
401V96.9Very high95.2Very high52 Ų5244.4 Ų44.432%0.31524%0.242SC..Hα-helixtrans-64.3-41.9177.11790000111.2V397 I403 E404 A405 Y417V397-V401 HydrophobicContact CG1-CG2 4.35Å; V397-V401 WeakPolarHBondContact O-CG2 3.39Å; V397-V401 PolarHBondContact O-N 3.37Å; V397-V401 VanDerWaalsContact O-N 3.1Å; V401-I403 VanDerWaalsContact C-N 3.34Å; V401-I403 PolarHBondContact O-N 3.47Å; V401-E404 PolarHBondContact O-N 3.42Å; V401-A405 PolarHBondContact O-N 3.34Å; V401-Y417 HydrophobicContact CG1-CD1 3.56Å; V401-Y417 HydrophobicContact CG1-CD2 3.67Å; V401-Y417 HydrophobicContact CG1-CE1 3.36Å; V401-Y417 HydrophobicContact CG1-CE2 3.44Å; V401-Y417 VanDerWaalsContact CG1-CE2 3.44Å; V401-Y417 HydrophobicContact CG1-CG 3.74Å
402L98.4Very high95.3Very high0 Ų050.9 Ų50.90%027%0.269CS..Hα-helixtrans-58.7-43.9173.6175.563.9000112.1P398 L399 A406 V414 A418 F421 V462 A466P398-L402 VanDerWaalsContact O-CB 3.31Å; P398-L402 WeakPolarHBondContact O-CB 3.49Å; P398-L402 PolarHBondContact O-N 3.34Å; P398-L402 VanDerWaalsContact O-N 3.15Å; L399-L402 PolarHBondContact O-N 3.05Å; L402-A406 WeakPolarHBondContact O-CB 3.35Å; L402-A406 PolarHBondContact O-N 3.31Å; L402-V414 HydrophobicContact CD1-CG1 3.94Å; L402-A418 HydrophobicContact CD1-CB 4.21Å; L402-F421 HydrophobicContact CD2-CB 4.16Å; L402-F421 HydrophobicContact CD2-CD1 4.14Å; L402-F421 HydrophobicContact CD2-CD2 4.46Å; L402-F421 HydrophobicContact CD2-CG 3.99Å; L402-V462 HydrophobicContact CD2-CG1 4.48Å; L402-A466 HydrophobicContact CD1-CB 3.99Å; L402-A466 HydrophobicContact CD2-CB 4.04Å; L402-A466 HydrophobicContact CG-CB 3.81Å
403I98.2Very high95.5Very high6 Ų653.4 Ų53.43%0.03128%0.28CS..Hα-helixtrans-68.7-38.5179.9-70.6172.1000111.3L399 L400 V401 A406 K407 M482 K486L399-I403 HydrophobicContact CD1-CD1 3.96Å; L399-I403 HydrophobicContact CD1-CG1 4.43Å; L399-I403 HydrophobicContact CG-CD1 3.9Å; L399-I403 VanDerWaalsContact O-CG1 3.29Å; L399-I403 WeakPolarHBondContact O-CG1 3.42Å; L399-I403 PolarHBondContact O-N 2.96Å; L400-I403 PolarHBondContact O-N 2.99Å; V401-I403 VanDerWaalsContact C-N 3.34Å; V401-I403 PolarHBondContact O-N 3.47Å; I403-A406 WeakPolarHBondContact O-CB 3.26Å; I403-A406 PolarHBondContact O-N 3.41Å; I403-K407 HydrophobicContact CG2-CD 4.2Å; I403-K407 HydrophobicContact CG2-CG 4.44Å; I403-K407 WeakPolarHBondContact O-CG 3.29Å; I403-K407 PolarHBondContact O-N 3.32Å; I403-M482 HydrophobicContact CD1-CE 3.79Å; I403-M482 HydrophobicContact CD1-CG 4.42Å; I403-M482 HydrophobicContact CG1-CE 3.7Å; I403-M482 HydrophobicContact CG1-CG 4.14Å; I403-M482 HydrophobicContact CG1-SD 4.23Å; I403-K486 HydrophobicContact CD1-CB 3.88Å; I403-K486 HydrophobicContact CD1-CD 3.68Å; I403-K486 HydrophobicContact CD1-CG 3.65Å
404E97.9Very high95.9Very high119 Ų11951.9 Ų51.956%0.55627%0.272SS*.Hα-helixtrans-65.7-44178.7-167.955.7-149.500111.5L400 V401 A406 K407 S408L400-E404 PolarHBondContact O-N 2.97Å; V401-E404 PolarHBondContact O-N 3.42Å; E404-A406 VanDerWaalsContact C-N 3.26Å; E404-A406 PolarHBondContact O-N 3.5Å; E404-K407 PolarHBondContact O-N 2.89Å; E404-S408 PolarHBondContact O-N 3.26Å
405A97.7Very high96.4Very high4 Ų453.6 Ų53.63%0.03328%0.278CS..Hα-helixtrans-60.4-35.3171.500000112.5V401 S408 G409 N410 E413 V414 Y417V401-A405 PolarHBondContact O-N 3.34Å; A405-S408 PolarHBondContact O-OG 3Å; A405-G409 PolarHBondContact O-N 3.45Å; A405-N410 PolarHBondContact O-N 3.48Å; A405-E413 HydrophobicContact CB-CB 4.34Å; A405-E413 HydrophobicContact CB-CG 3.8Å; A405-V414 HydrophobicContact CB-CG2 3.73Å; A405-V414 WeakPolarHBondContact O-CG2 3.38Å; A405-Y417 HydrophobicContact CB-CD2 3.85Å; A405-Y417 HydrophobicContact CB-CE2 4.3Å
406A98.1Very high96.7Very high0 Ų057.6 Ų57.60%030%0.296CS..Hα-helixtrans-69.4-39.6175.800000112.4L402 I403 E404 S408 G409 V414 A466 L469 A470L402-A406 WeakPolarHBondContact O-CB 3.35Å; L402-A406 PolarHBondContact O-N 3.31Å; I403-A406 WeakPolarHBondContact O-CB 3.26Å; I403-A406 PolarHBondContact O-N 3.41Å; E404-A406 VanDerWaalsContact C-N 3.26Å; E404-A406 PolarHBondContact O-N 3.5Å; A406-S408 VanDerWaalsContact C-N 3.32Å; A406-S408 PolarHBondContact O-N 2.91Å; A406-G409 PolarHBondContact O-N 2.94Å; A406-V414 HydrophobicContact CB-CG2 4.06Å; A406-A466 HydrophobicContact CB-CB 4.16Å; A406-A466 WeakPolarHBondContact CB-O 3.35Å; A406-L469 HydrophobicContact CB-CB 4.13Å; A406-L469 HydrophobicContact CB-CD2 4.02Å; A406-L469 HydrophobicContact CB-CG 4.1Å; A406-A470 HydrophobicContact CB-CB 4.37Å; A406-A470 WeakPolarHBondContact O-CA 3.3Å
407K97.9Very high97Very high104 Ų10458.9 Ų58.945%0.45230%0.297SS..Hα-helixtrans-66.4-33176.2-74.2174.7178.9175.60112.7I403 E404 G409 L469I403-K407 HydrophobicContact CG2-CD 4.2Å; I403-K407 HydrophobicContact CG2-CG 4.44Å; I403-K407 WeakPolarHBondContact O-CG 3.29Å; I403-K407 PolarHBondContact O-N 3.32Å; E404-K407 PolarHBondContact O-N 2.89Å; K407-G409 PolarHBondContact O-N 3.45Å; K407-L469 HydrophobicContact CG-CD2 3.94Å
408S97.1Very high97.2Very high75 Ų7555.9 Ų55.952%0.52428%0.28SS..THydrogen-bonded Turntrans-72.3-13.3175.476.50000113.2E404 A405 A406 N410E404-S408 PolarHBondContact O-N 3.26Å; A405-S408 PolarHBondContact O-OG 3Å; A406-S408 VanDerWaalsContact C-N 3.32Å; A406-S408 PolarHBondContact O-N 2.91Å; S408-N410 VanDerWaalsContact C-N 3.29Å; S408-N410 WeakPolarHBondContact OG-CB 3.47Å; S408-N410 PolarHBondContact OG-N 2.99Å
409G96.1Very high97.3Very high28 Ų2860.4 Ų60.429%0.28930%0.299SS..THydrogen-bonded Turntrans75.915.1-176.800000113.8A405 A406 K407 E411 A470A405-G409 PolarHBondContact O-N 3.45Å; A406-G409 PolarHBondContact O-N 2.94Å; K407-G409 PolarHBondContact O-N 3.45Å; G409-E411 PolarHBondContact O-N 3.26Å; G409-E411 VanDerWaalsContact O-N 3.14Å; G409-A470 WeakPolarHBondContact CA-O 3.36Å
410N95.1Very high97.2Very high66 Ų6663.6 Ų63.635%0.35332%0.318SS..  trans-85.182.4-177.7-169.7-6.2000111.6A405 S408 K412 E413 V414A405-N410 PolarHBondContact O-N 3.48Å; S408-N410 VanDerWaalsContact C-N 3.29Å; S408-N410 WeakPolarHBondContact OG-CB 3.47Å; S408-N410 PolarHBondContact OG-N 2.99Å; N410-K412 PolarHBondContact O-N 3.46Å; N410-K412 VanDerWaalsContact O-N 3.12Å; N410-E413 HydrophobicContact CB-CB 3.98Å; N410-E413 VanDerWaalsContact ND2-CB 3.26Å; N410-E413 WeakPolarHBondContact ND2-CB 3.34Å; N410-E413 PolarHBondContact ND2-OE2 2.96Å; N410-E413 PolarHBondContact O-N 3.3Å; N410-E413 PolarHBondContact OD1-N 3.17Å; N410-V414 WeakPolarHBondContact O-CG2 3.41Å; N410-V414 PolarHBondContact O-N 3.17Å
411E93.6Very high97.3Very high95 Ų9559.7 Ų59.744%0.44430%0.298SS..Hα-helixtrans-57.2-29.2-177.1-69.6-170.8-16800114.6G409 K415 A470G409-E411 PolarHBondContact O-N 3.26Å; G409-E411 VanDerWaalsContact O-N 3.14Å; E411-K415 WeakPolarHBondContact O-CG 3.35Å; E411-K415 PolarHBondContact O-N 3.02Å; E411-A470 HydrophobicContact CG-CB 4.16Å
412K95.8Very high97.3Very high149 Ų14963.5 Ų63.565%0.64831%0.307SS*.Hα-helixtrans-69-50.8178.3-176.4-172.3171.7-162.40110.2N410 V414 K415 E416N410-K412 PolarHBondContact O-N 3.46Å; N410-K412 VanDerWaalsContact O-N 3.12Å; K412-V414 VanDerWaalsContact C-N 3.32Å; K412-V414 PolarHBondContact O-N 2.7Å; K412-K415 WeakPolarHBondContact O-CB 3.29Å; K412-K415 PolarHBondContact O-N 2.61Å; K412-K415 VanDerWaalsContact O-N 3.12Å; K412-E416 VanDerWaalsContact CE-OE1 3.24Å; K412-E416 WeakPolarHBondContact CE-OE1 3.3Å; K412-E416 IonicContact NZ-OE1 2.68Å; K412-E416 PolarHBondContact O-N 3.43Å
413E97.1Very high97.3Very high56 Ų5668.4 Ų68.426%0.26233%0.329SS..Hα-helixtrans-64.7-37179.3-177.6174.8-148.900111.7A405 N410 K415 E416 Y417A405-E413 HydrophobicContact CB-CB 4.34Å; A405-E413 HydrophobicContact CB-CG 3.8Å; N410-E413 HydrophobicContact CB-CB 3.98Å; N410-E413 VanDerWaalsContact ND2-CB 3.26Å; N410-E413 WeakPolarHBondContact ND2-CB 3.34Å; N410-E413 PolarHBondContact ND2-OE2 2.96Å; N410-E413 PolarHBondContact O-N 3.3Å; N410-E413 PolarHBondContact OD1-N 3.17Å; E413-K415 VanDerWaalsContact C-N 3.26Å; E413-K415 PolarHBondContact O-N 3.24Å; E413-E416 PolarHBondContact O-N 3.34Å; E413-E416 VanDerWaalsContact O-N 3.15Å; E413-Y417 HydrophobicContact CG-CD2 3.52Å; E413-Y417 HydrophobicContact CG-CE2 3.26Å; E413-Y417 WeakPolarHBondContact O-CD2 3.46Å; E413-Y417 PolarHBondContact O-N 2.88Å; E413-Y417 WeakPolarHBondContact OE1-CE2 3.29Å
414V97.9Very high97.2Very high0 Ų069.7 Ų69.70%034%0.335CS..Hα-helixtrans-59.8-36.5172.8171.50000111.9L402 A405 A406 N410 K412 A418 A466 L467 A470L402-V414 HydrophobicContact CD1-CG1 3.94Å; A405-V414 HydrophobicContact CB-CG2 3.73Å; A405-V414 WeakPolarHBondContact O-CG2 3.38Å; A406-V414 HydrophobicContact CB-CG2 4.06Å; N410-V414 WeakPolarHBondContact O-CG2 3.41Å; N410-V414 PolarHBondContact O-N 3.17Å; K412-V414 VanDerWaalsContact C-N 3.32Å; K412-V414 PolarHBondContact O-N 2.7Å; V414-A418 WeakPolarHBondContact O-CB 3.34Å; V414-A418 PolarHBondContact O-N 2.87Å; V414-A466 HydrophobicContact CG1-CB 4.37Å; V414-L467 HydrophobicContact CG1-CD2 3.81Å; V414-L467 HydrophobicContact CG1-CG 4.32Å; V414-A470 HydrophobicContact CB-CB 4.36Å; V414-A470 HydrophobicContact CG1-CB 4.37Å; V414-A470 HydrophobicContact CG2-CB 3.83Å
415K96.7Very high97.2Very high127 Ų12764 Ų6455%0.55231%0.309SS*.Hα-helixtrans-69.4-38.4176.2-72.7170-176170.10112.1E411 K412 E413 Q419 L467E411-K415 WeakPolarHBondContact O-CG 3.35Å; E411-K415 PolarHBondContact O-N 3.02Å; K412-K415 WeakPolarHBondContact O-CB 3.29Å; K412-K415 PolarHBondContact O-N 2.61Å; K412-K415 VanDerWaalsContact O-N 3.12Å; E413-K415 VanDerWaalsContact C-N 3.26Å; E413-K415 PolarHBondContact O-N 3.24Å; K415-Q419 PolarHBondContact O-N 3.13Å; K415-L467 HydrophobicContact CG-CD2 4.39Å
416E97.7Very high97.2Very high104 Ų10467.8 Ų67.849%0.48633%0.328SS..Hα-helixtrans-65.7-50.8176.2-67.6170.8-174.700110.3K412 E413 A418 Q419 V420K412-E416 VanDerWaalsContact CE-OE1 3.24Å; K412-E416 WeakPolarHBondContact CE-OE1 3.3Å; K412-E416 IonicContact NZ-OE1 2.68Å; K412-E416 PolarHBondContact O-N 3.43Å; E413-E416 PolarHBondContact O-N 3.34Å; E413-E416 VanDerWaalsContact O-N 3.15Å; E416-A418 VanDerWaalsContact C-N 3.32Å; E416-A418 PolarHBondContact O-N 3.03Å; E416-Q419 WeakPolarHBondContact O-CB 3.27Å; E416-Q419 PolarHBondContact O-N 3.41Å; E416-Q419 VanDerWaalsContact O-N 3.1Å; E416-V420 PolarHBondContact O-N 3.39Å
417Y98.1Very high97.1Very high78 Ų7869.8 Ų69.831%0.30634%0.337SS..Hα-helixtrans-70.2-24.7176.5-68.8-53000114V401 A405 E413 Q419 V420 F421V401-Y417 HydrophobicContact CG1-CD1 3.56Å; V401-Y417 HydrophobicContact CG1-CD2 3.67Å; V401-Y417 HydrophobicContact CG1-CE1 3.36Å; V401-Y417 HydrophobicContact CG1-CE2 3.44Å; V401-Y417 VanDerWaalsContact CG1-CE2 3.44Å; V401-Y417 HydrophobicContact CG1-CG 3.74Å; A405-Y417 HydrophobicContact CB-CD2 3.85Å; A405-Y417 HydrophobicContact CB-CE2 4.3Å; E413-Y417 HydrophobicContact CG-CD2 3.52Å; E413-Y417 HydrophobicContact CG-CE2 3.26Å; E413-Y417 WeakPolarHBondContact O-CD2 3.46Å; E413-Y417 PolarHBondContact O-N 2.88Å; E413-Y417 WeakPolarHBondContact OE1-CE2 3.29Å; Y417-Q419 PolarHBondContact O-N 3.35Å; Y417-V420 HydrophobicContact CD1-CG2 4.45Å; Y417-V420 PolarHBondContact O-N 3.22Å; Y417-F421 VanDerWaalsContact O-CB 3.27Å; Y417-F421 WeakPolarHBondContact O-CB 3.26Å; Y417-F421 PolarHBondContact O-N 3.22Å
418A98.2Very high97.1Very high6 Ų664.8 Ų64.85%0.0532%0.315CS..Hα-helixtrans-64.9-30.8171.100000111.9L402 V414 E416 R422 I463L402-A418 HydrophobicContact CD1-CB 4.21Å; V414-A418 WeakPolarHBondContact O-CB 3.34Å; V414-A418 PolarHBondContact O-N 2.87Å; E416-A418 VanDerWaalsContact C-N 3.32Å; E416-A418 PolarHBondContact O-N 3.03Å; A418-R422 VanDerWaalsContact O-CB 3.31Å; A418-R422 WeakPolarHBondContact O-CB 3.37Å; A418-R422 PolarHBondContact O-N 2.98Å; A418-R422 VanDerWaalsContact O-N 3.09Å; A418-I463 HydrophobicContact CB-CD1 4.27Å; A418-I463 HydrophobicContact CB-CG1 4.14Å; A418-I463 HydrophobicContact CB-CG2 3.77Å
419Q98Very high97.1Very high115 Ų11561.8 Ų61.854%0.53729%0.294SS..Hα-helixtrans-68.9-49.8171.6-179.4178.8-16.500110.5K415 E416 Y417 F421 R422 E423K415-Q419 PolarHBondContact O-N 3.13Å; E416-Q419 WeakPolarHBondContact O-CB 3.27Å; E416-Q419 PolarHBondContact O-N 3.41Å; E416-Q419 VanDerWaalsContact O-N 3.1Å; Y417-Q419 PolarHBondContact O-N 3.35Å; Q419-F421 VanDerWaalsContact C-N 3.31Å; Q419-F421 PolarHBondContact O-N 3.03Å; Q419-R422 WeakPolarHBondContact O-CB 3.34Å; Q419-R422 PolarHBondContact O-N 3.28Å; Q419-R422 VanDerWaalsContact O-N 3.08Å; Q419-E423 HydrophobicContact CG-CG 4.43Å; Q419-E423 VanDerWaalsContact CG-OE1 3.27Å; Q419-E423 WeakPolarHBondContact CG-OE1 3.26Å; Q419-E423 PolarHBondContact NE2-OE1 3.14Å; Q419-E423 WeakPolarHBondContact O-CG 3.31Å; Q419-E423 PolarHBondContact O-N 2.91Å
420V97.7Very high97.1Very high68 Ų6865.2 Ų65.241%0.41230%0.302SS..Hα-helixtrans-56.8-45.6177.3178.60000111.3E416 Y417 R422 E423 H424E416-V420 PolarHBondContact O-N 3.39Å; Y417-V420 HydrophobicContact CD1-CG2 4.45Å; Y417-V420 PolarHBondContact O-N 3.22Å; V420-R422 VanDerWaalsContact C-N 3.34Å; V420-R422 PolarHBondContact O-N 2.9Å; V420-E423 PolarHBondContact O-N 3.21Å; V420-H424 WeakPolarHBondContact O-CB 3.5Å; V420-H424 PolarHBondContact O-N 2.91Å
421F98.4Very high97.2Very high1 Ų162 Ų620%0.00429%0.285CS..Hα-helixtrans-61.4-40.7176.7176.5-100.4000112.3P398 L399 L402 Y417 Q419 H424 A425 C459 V462 I463 W489P398-F421 HydrophobicContact CB-CB 4.42Å; P398-F421 HydrophobicContact CB-CD2 4.23Å; L399-F421 HydrophobicContact CB-CD2 4.28Å; L399-F421 HydrophobicContact CB-CE2 3.96Å; L399-F421 HydrophobicContact CD1-CE2 3.88Å; L399-F421 HydrophobicContact CD1-CZ 4.29Å; L402-F421 HydrophobicContact CD2-CB 4.16Å; L402-F421 HydrophobicContact CD2-CD1 4.14Å; L402-F421 HydrophobicContact CD2-CD2 4.46Å; L402-F421 HydrophobicContact CD2-CG 3.99Å; Y417-F421 VanDerWaalsContact O-CB 3.27Å; Y417-F421 WeakPolarHBondContact O-CB 3.26Å; Y417-F421 PolarHBondContact O-N 3.22Å; Q419-F421 VanDerWaalsContact C-N 3.31Å; Q419-F421 PolarHBondContact O-N 3.03Å; F421-H424 PolarHBondContact O-N 3.08Å; F421-A425 WeakPolarHBondContact O-CB 3.31Å; F421-A425 PolarHBondContact O-N 2.87Å; F421-C459 HydrophobicContact CE1-CB 4.48Å; F421-V462 HydrophobicContact CE1-CB 3.94Å; F421-V462 HydrophobicContact CE1-CG1 3.92Å; F421-V462 HydrophobicContact CE2-CG1 4.41Å; F421-V462 HydrophobicContact CZ-CB 3.99Å; F421-V462 HydrophobicContact CZ-CG1 3.7Å; F421-V462 HydrophobicContact CZ-CG2 4.35Å; F421-I463 HydrophobicContact CD1-CD1 4.13Å; F421-I463 HydrophobicContact CD1-CG1 3.83Å; F421-I463 HydrophobicContact CE1-CG1 4.23Å; F421-W489 HydrophobicContact CE1-CH2 4.23Å; F421-W489 HydrophobicContact CE1-CZ2 4.36Å; F421-W489 HydrophobicContact CE1-CZ3 4.36Å; F421-W489 HydrophobicContact CE2-CD2 4.12Å; F421-W489 AromaticContact CE2-CE2 3.53Å; F421-W489 HydrophobicContact CE2-CH2 4.32Å; F421-W489 AromaticContact CE2-CZ2 3.65Å; F421-W489 HydrophobicContact CE2-CZ2 3.65Å; F421-W489 AromaticContact CE2-NE1 3.71Å; F421-W489 AromaticContact CZ-CD2 3.6Å; F421-W489 HydrophobicContact CZ-CD2 3.6Å; F421-W489 AromaticContact CZ-CE2 3.4Å; F421-W489 AromaticContact CZ-CE3 3.83Å; F421-W489 HydrophobicContact CZ-CE3 3.83Å; F421-W489 HydrophobicContact CZ-CG 4.3Å; F421-W489 AromaticContact CZ-CH2 3.69Å; F421-W489 HydrophobicContact CZ-CH2 3.69Å; F421-W489 AromaticContact CZ-CZ2 3.45Å; F421-W489 HydrophobicContact CZ-CZ2 3.45Å; F421-W489 VanDerWaalsContact CZ-CZ2 3.45Å; F421-W489 AromaticContact CZ-CZ3 3.88Å; F421-W489 HydrophobicContact CZ-CZ3 3.88Å; F421-W489 AromaticContact CZ-NE1 3.99Å
422R98.3Very high97.4Very high132 Ų13257.5 Ų57.550%0.49826%0.264SS..Hα-helixtrans-68-42.3177-173.7-175.4-57165.75.3112.1A418 Q419 V420 H424 A425 N426 I463A418-R422 VanDerWaalsContact O-CB 3.31Å; A418-R422 WeakPolarHBondContact O-CB 3.37Å; A418-R422 PolarHBondContact O-N 2.98Å; A418-R422 VanDerWaalsContact O-N 3.09Å; Q419-R422 WeakPolarHBondContact O-CB 3.34Å; Q419-R422 PolarHBondContact O-N 3.28Å; Q419-R422 VanDerWaalsContact O-N 3.08Å; V420-R422 VanDerWaalsContact C-N 3.34Å; V420-R422 PolarHBondContact O-N 2.9Å; R422-H424 VanDerWaalsContact C-N 3.32Å; R422-A425 PolarHBondContact O-N 3.06Å; R422-N426 WeakPolarHBondContact O-CB 3.38Å; R422-N426 PolarHBondContact O-N 3.32Å; R422-N426 PolarHBondContact O-ND2 3.43Å; R422-N426 PolarHBondContact O-OD1 2.87Å; R422-I463 HydrophobicContact CB-CD1 4.35Å
423E97.4Very high97.3Very high103 Ų10353.5 Ų53.548%0.48125%0.25SC..Hα-helixtrans-61-43.9175.8-72.9169.6-174.800110.7Q419 V420 N426 K427Q419-E423 HydrophobicContact CG-CG 4.43Å; Q419-E423 VanDerWaalsContact CG-OE1 3.27Å; Q419-E423 WeakPolarHBondContact CG-OE1 3.26Å; Q419-E423 PolarHBondContact NE2-OE1 3.14Å; Q419-E423 WeakPolarHBondContact O-CG 3.31Å; Q419-E423 PolarHBondContact O-N 2.91Å; V420-E423 PolarHBondContact O-N 3.21Å; E423-N426 PolarHBondContact O-N 3.42Å; E423-K427 WeakPolarHBondContact O-CB 3.44Å; E423-K427 PolarHBondContact O-N 3Å
424H97.3Very high97.2Very high34 Ų3452.5 Ų52.516%0.15725%0.246CC..Hα-helixtrans-62.8-45.5174.1178.5-100.3000112.6T395 P398 V420 F421 R422 N426 K427 L428T395-H424 PolarHBondContact O-CE1 3.01Å; T395-H424 VanDerWaalsContact O-CE1 3.23Å; P398-H424 HydrophobicContact CB-CB 4.32Å; P398-H424 HydrophobicContact CG-CB 3.95Å; V420-H424 WeakPolarHBondContact O-CB 3.5Å; V420-H424 PolarHBondContact O-N 2.91Å; F421-H424 PolarHBondContact O-N 3.08Å; R422-H424 VanDerWaalsContact C-N 3.32Å; H424-N426 VanDerWaalsContact C-N 3.34Å; H424-N426 PolarHBondContact O-N 3.21Å; H424-K427 PolarHBondContact O-N 3.41Å; H424-K427 VanDerWaalsContact O-N 3.15Å; H424-L428 WeakPolarHBondContact O-CG 3.26Å; H424-L428 PolarHBondContact O-N 2.95Å
425A98.1Very high97.2Very high0 Ų052.5 Ų52.50%025%0.246CC..Hα-helixtrans-57-47174.800000112.2F421 R422 K427 L428 V429 I455 C459 W489F421-A425 WeakPolarHBondContact O-CB 3.31Å; F421-A425 PolarHBondContact O-N 2.87Å; R422-A425 PolarHBondContact O-N 3.06Å; A425-K427 VanDerWaalsContact C-N 3.3Å; A425-K427 PolarHBondContact O-N 3.22Å; A425-L428 PolarHBondContact O-N 3.38Å; A425-V429 WeakPolarHBondContact O-CG2 3.45Å; A425-V429 PolarHBondContact O-N 3.28Å; A425-V429 VanDerWaalsContact O-N 3.13Å; A425-I455 HydrophobicContact CB-CG2 4.48Å; A425-C459 HydrophobicContact CB-CB 4.16Å; A425-W489 HydrophobicContact CB-CH2 3.57Å; A425-W489 HydrophobicContact CB-CZ2 4.17Å
426N97.6Very high97.1Very high82 Ų8246.5 Ų46.544%0.43922%0.22SC..Hα-helixtrans-61.5-39.9176.7-69.3-11.2000111R422 E423 H424 V429 E430R422-N426 WeakPolarHBondContact O-CB 3.38Å; R422-N426 PolarHBondContact O-N 3.32Å; R422-N426 PolarHBondContact O-ND2 3.43Å; R422-N426 PolarHBondContact O-OD1 2.87Å; E423-N426 PolarHBondContact O-N 3.42Å; H424-N426 VanDerWaalsContact C-N 3.34Å; H424-N426 PolarHBondContact O-N 3.21Å; N426-V429 PolarHBondContact O-N 2.97Å; N426-E430 WeakPolarHBondContact O-CB 3.44Å; N426-E430 PolarHBondContact O-N 2.85Å
427K95.9Very high97Very high42 Ų4242.6 Ų42.618%0.18321%0.205CC..Hα-helixtrans-65.6-41.3177.9-174.161.8-175.3175.20112.2C322 S391 E423 H424 A425 V429 E430 V431C322-K427 VanDerWaalsContact SG-CE 3.57Å; S391-K427 WeakPolarHBondContact OG-CE 3.44Å; E423-K427 WeakPolarHBondContact O-CB 3.44Å; E423-K427 PolarHBondContact O-N 3Å; H424-K427 PolarHBondContact O-N 3.41Å; H424-K427 VanDerWaalsContact O-N 3.15Å; A425-K427 VanDerWaalsContact C-N 3.3Å; A425-K427 PolarHBondContact O-N 3.22Å; K427-V429 VanDerWaalsContact C-N 3.31Å; K427-V429 PolarHBondContact O-N 3.45Å; K427-E430 IonicContact NZ-OE1 2.67Å; K427-E430 PolarHBondContact NZ-OE1 2.85Å; K427-E430 PolarHBondContact O-N 3.23Å; K427-V431 HydrophobicContact CD-CG2 4.12Å; K427-V431 HydrophobicContact CG-CG2 4.44Å; K427-V431 WeakPolarHBondContact O-CG2 3.23Å; K427-V431 PolarHBondContact O-N 2.93Å
428L97.7Very high96.7Very high0 Ų040.3 Ų40.30%020%0.197CC..Hα-helixtrans-58.2-44.7173.9-68.2177.6000111.5S391 F392 T395 H424 A425 A432 V493 L496S391-L428 VanDerWaalsContact O-CD2 3.25Å; S391-L428 WeakPolarHBondContact O-CD2 3.41Å; F392-L428 HydrophobicContact CD1-CD2 3.88Å; F392-L428 HydrophobicContact CD2-CD2 4.21Å; F392-L428 HydrophobicContact CE1-CD2 3.89Å; F392-L428 HydrophobicContact CE2-CD2 4.2Å; F392-L428 HydrophobicContact CG-CD2 4.06Å; F392-L428 HydrophobicContact CZ-CB 4.46Å; F392-L428 HydrophobicContact CZ-CD2 4.05Å; T395-L428 HydrophobicContact CG2-CD2 4.15Å; H424-L428 WeakPolarHBondContact O-CG 3.26Å; H424-L428 PolarHBondContact O-N 2.95Å; A425-L428 PolarHBondContact O-N 3.38Å; L428-A432 VanDerWaalsContact O-CB 3.26Å; L428-A432 WeakPolarHBondContact O-CB 3.37Å; L428-A432 PolarHBondContact O-N 3.48Å; L428-V493 HydrophobicContact CD1-CG1 4.48Å; L428-V493 HydrophobicContact CD1-CG2 4.31Å; L428-L496 HydrophobicContact CB-CD2 4.25Å
429V97.7Very high96.5Very high12 Ų1240.5 Ų40.57%0.07320%0.198CC..Hα-helixtrans-67.3-42.4178.4168.80000111.7A425 N426 K427 A432 N433 A452 I455A425-V429 WeakPolarHBondContact O-CG2 3.45Å; A425-V429 PolarHBondContact O-N 3.28Å; A425-V429 VanDerWaalsContact O-N 3.13Å; N426-V429 PolarHBondContact O-N 2.97Å; K427-V429 VanDerWaalsContact C-N 3.31Å; K427-V429 PolarHBondContact O-N 3.45Å; V429-A432 PolarHBondContact O-N 3.4Å; V429-N433 WeakPolarHBondContact CG1-ND2 3.21Å; V429-N433 WeakPolarHBondContact O-CB 3.2Å; V429-N433 PolarHBondContact O-N 2.85Å; V429-N433 PolarHBondContact O-ND2 2.88Å; V429-A452 HydrophobicContact CG1-CB 4.24Å; V429-A452 HydrophobicContact CG2-CB 4.25Å; V429-I455 HydrophobicContact CG2-CB 4.08Å; V429-I455 HydrophobicContact CG2-CG2 3.73Å
430E95.7Very high96.1Very high99 Ų9939.2 Ų39.246%0.46320%0.195SC..Hα-helixtrans-57.4-50.9175.1-177.8-164125.500111N426 K427 N433 L434N426-E430 WeakPolarHBondContact O-CB 3.44Å; N426-E430 PolarHBondContact O-N 2.85Å; K427-E430 IonicContact NZ-OE1 2.67Å; K427-E430 PolarHBondContact NZ-OE1 2.85Å; K427-E430 PolarHBondContact O-N 3.23Å; E430-N433 PolarHBondContact O-N 3.03Å; E430-L434 WeakPolarHBondContact O-CB 3.28Å; E430-L434 PolarHBondContact O-N 2.94Å
431V96.3Very high95.8Very high0 Ų039.4 Ų39.40%019%0.194CC..Hα-helixtrans-68.4-37.6-178.7175.10000111.9H387 I388 S391 F392 K427 N433 L434 A435H387-V431 HydrophobicContact CB-CB 4.49Å; H387-V431 HydrophobicContact CB-CG1 3.79Å; H387-V431 HydrophobicContact CB-CG2 3.87Å; I388-V431 HydrophobicContact CB-CG1 4.43Å; I388-V431 HydrophobicContact CG1-CG1 3.66Å; S391-V431 WeakPolarHBondContact OG-CG2 3.49Å; F392-V431 HydrophobicContact CD2-CG1 4.28Å; F392-V431 HydrophobicContact CE2-CB 4.11Å; F392-V431 HydrophobicContact CE2-CG1 3.83Å; K427-V431 HydrophobicContact CD-CG2 4.12Å; K427-V431 HydrophobicContact CG-CG2 4.44Å; K427-V431 WeakPolarHBondContact O-CG2 3.23Å; K427-V431 PolarHBondContact O-N 2.93Å; V431-N433 VanDerWaalsContact C-N 3.34Å; V431-N433 PolarHBondContact O-N 3.25Å; V431-L434 WeakPolarHBondContact O-CB 3.36Å; V431-L434 PolarHBondContact O-N 3.34Å; V431-A435 PolarHBondContact O-N 2.96Å
432A97.4Very high95.4Very high0 Ų044 Ų440%022%0.216CC..Hα-helixtrans-61-42.9173.300000112.1F392 L428 V429 L434 A435 C436 V448 L496 V500F392-A432 HydrophobicContact CZ-CB 4.45Å; L428-A432 VanDerWaalsContact O-CB 3.26Å; L428-A432 WeakPolarHBondContact O-CB 3.37Å; L428-A432 PolarHBondContact O-N 3.48Å; V429-A432 PolarHBondContact O-N 3.4Å; A432-L434 VanDerWaalsContact C-N 3.34Å; A432-A435 PolarHBondContact O-N 3.03Å; A432-C436 PolarHBondContact O-N 3.4Å; A432-C436 PolarHBondContact O-SG 3.35Å; A432-V448 HydrophobicContact CB-CG1 3.76Å; A432-L496 HydrophobicContact CB-CD1 3.76Å; A432-L496 HydrophobicContact CB-CD2 4.34Å; A432-L496 HydrophobicContact CB-CG 4.36Å; A432-V500 HydrophobicContact CB-CG2 3.81Å
433N95.3Very high94.8Very high64 Ų6443.5 Ų43.534%0.34222%0.219SC..Hα-helixtrans-69.8-32.6175.4-74.5-50000112.3V429 E430 V431 C436 S437V429-N433 WeakPolarHBondContact CG1-ND2 3.21Å; V429-N433 WeakPolarHBondContact O-CB 3.2Å; V429-N433 PolarHBondContact O-N 2.85Å; V429-N433 PolarHBondContact O-ND2 2.88Å; E430-N433 PolarHBondContact O-N 3.03Å; V431-N433 VanDerWaalsContact C-N 3.34Å; V431-N433 PolarHBondContact O-N 3.25Å; N433-C436 WeakPolarHBondContact O-CB 3.31Å; N433-C436 PolarHBondContact O-N 2.87Å; N433-S437 PolarHBondContact O-N 3.33Å
434L95.1Very high94.6Very high35 Ų3539 Ų3918%0.18320%0.199CC..Hα-helixtrans-64-44.2172.8-174.467000110.9M317 V384 H387 E430 V431 A432 C436 S437M317-L434 HydrophobicContact CG-CD1 4.19Å; M317-L434 HydrophobicContact CG-CD2 4.05Å; M317-L434 HydrophobicContact SD-CD1 3.77Å; M317-L434 HydrophobicContact SD-CD2 3.89Å; M317-L434 HydrophobicContact SD-CG 4Å; V384-L434 HydrophobicContact CG2-CD2 4.13Å; V384-L434 HydrophobicContact CG2-CG 3.83Å; H387-L434 HydrophobicContact CB-CD2 4.35Å; H387-L434 WeakPolarHBondContact ND1-CD2 3.49Å; E430-L434 WeakPolarHBondContact O-CB 3.28Å; E430-L434 PolarHBondContact O-N 2.94Å; V431-L434 WeakPolarHBondContact O-CB 3.36Å; V431-L434 PolarHBondContact O-N 3.34Å; A432-L434 VanDerWaalsContact C-N 3.34Å; L434-C436 VanDerWaalsContact C-N 3.3Å; L434-C436 PolarHBondContact O-N 3.39Å; L434-S437 WeakPolarHBondContact O-CB 3.46Å; L434-S437 PolarHBondContact O-N 3.33Å; L434-S437 PolarHBondContact O-OG 3.49Å
435A96.1Very high94.4Very high1 Ų137.3 Ų37.31%0.00819%0.192CC..Hα-helixtrans-59.9-41.2172.800000112.1V384 I388 V431 A432 S437 I438 S439 V500 I503 T504V384-A435 HydrophobicContact CG1-CB 3.8Å; I388-A435 HydrophobicContact CD1-CB 4.11Å; V431-A435 PolarHBondContact O-N 2.96Å; A432-A435 PolarHBondContact O-N 3.03Å; A435-S437 VanDerWaalsContact C-N 3.27Å; A435-S437 PolarHBondContact O-N 3.2Å; A435-I438 WeakPolarHBondContact O-CG1 3.36Å; A435-S439 PolarHBondContact O-N 3.32Å; A435-V500 HydrophobicContact CB-CG1 4.2Å; A435-I503 HydrophobicContact CB-CD1 4.08Å; A435-T504 HydrophobicContact CB-CG2 4.43Å
436C95.9Very high94Very high0 Ų039.2 Ų39.20%020%0.2CC..Hα-helixtrans-58.8-39.2172.7-67.40000112.3G274 A432 N433 L434 I438 S439 V445 V448G274-C436 WeakPolarHBondContact CA-O 3.25Å; A432-C436 PolarHBondContact O-N 3.4Å; A432-C436 PolarHBondContact O-SG 3.35Å; N433-C436 WeakPolarHBondContact O-CB 3.31Å; N433-C436 PolarHBondContact O-N 2.87Å; L434-C436 VanDerWaalsContact C-N 3.3Å; L434-C436 PolarHBondContact O-N 3.39Å; C436-I438 PolarHBondContact O-N 2.95Å; C436-I438 VanDerWaalsContact O-N 3.17Å; C436-S439 PolarHBondContact O-N 3.06Å; C436-V445 HydrophobicContact CB-CG1 4.02Å; C436-V445 HydrophobicContact CB-CG2 4.19Å; C436-V448 VanDerWaalsContact SG-CB 3.56Å; C436-V448 WeakPolarHBondContact SG-CG1 3.42Å
437S94Very high93.7Very high23 Ų2339.9 Ų39.916%0.16120%0.203CC..Hα-helixtrans-61.5-26.8-172.178.90000114.1G274 E275 L276 A277 N433 L434 A435G274-S437 CarbonylContact C-O 3.59Å; G274-S437 VanDerWaalsContact C-O 3.23Å; G274-S437 WeakPolarHBondContact CA-O 3.42Å; E275-S437 PolarHBondContact N-O 3.33Å; L276-S437 CarbonylContact C-O 3Å; L276-S437 WeakPolarHBondContact CA-O 3.42Å; L276-S437 WeakPolarHBondContact CB-O 3.5Å; L276-S437 PolarHBondContact N-O 3.46Å; A277-S437 PolarHBondContact N-O 3.47Å; N433-S437 PolarHBondContact O-N 3.33Å; L434-S437 WeakPolarHBondContact O-CB 3.46Å; L434-S437 PolarHBondContact O-N 3.33Å; L434-S437 PolarHBondContact O-OG 3.49Å; A435-S437 VanDerWaalsContact C-N 3.27Å; A435-S437 PolarHBondContact O-N 3.2Å
438I93Very high93.8Very high29 Ų2937.9 Ų37.915%0.14919%0.194CC..Hα-helixtrans-107.4-1.4-17856.4156.5000113.7L276 L380 R381 V384 A435 C436L276-I438 HydrophobicContact CD2-CG2 4.05Å; L380-I438 HydrophobicContact CB-CG2 4.48Å; R381-I438 HydrophobicContact CB-CD1 4.28Å; R381-I438 HydrophobicContact CG-CD1 3.96Å; V384-I438 HydrophobicContact CB-CD1 3.6Å; V384-I438 HydrophobicContact CG1-CD1 3.97Å; V384-I438 HydrophobicContact CG2-CD1 3.29Å; V384-I438 HydrophobicContact CG2-CG1 3.86Å; V384-I438 HydrophobicContact CG2-CG2 4.47Å; A435-I438 WeakPolarHBondContact O-CG1 3.36Å; C436-I438 PolarHBondContact O-N 2.95Å; C436-I438 VanDerWaalsContact O-N 3.17Å
439S93.7Very high93.6Very high11 Ų1140.1 Ų40.18%0.07720%0.203CC..  trans-88.5140.9-178.3-170.60000112.3G274 A277 A435 C436 N441G274-S439 PolarHBondContact N-O 3.18Å; A277-S439 WeakPolarHBondContact CB-O 3.22Å; A435-S439 PolarHBondContact O-N 3.32Å; C436-S439 PolarHBondContact O-N 3.06Å; S439-N441 PolarHBondContact OG-N 2.87Å
440N90.4Very high93.3Very high88 Ų8842.8 Ų42.847%0.47122%0.215SC..  trans-93.1-2.4170.4-68.8-57000112.7I273 N281 E442I273-N440 VanDerWaalsContact CG2-O 3.29Å; I273-N440 WeakPolarHBondContact CG2-O 3.35Å; N281-N440 PolarHBondContact ND2-OD1 3.47Å; N440-E442 PolarHBondContact O-N 3.25Å
441N90.8Very high93.3Very high72 Ų7238.2 Ų38.239%0.38520%0.195SC..  trans-84.594.9-179.3-176.3-8.2000110.2S439 G444 V445 I503S439-N441 PolarHBondContact OG-N 2.87Å; N441-G444 PolarHBondContact O-N 2.78Å; N441-G444 PolarHBondContact OD1-N 3.07Å; N441-V445 WeakPolarHBondContact O-CB 3.49Å; N441-V445 WeakPolarHBondContact O-CG2 3.46Å; N441-V445 PolarHBondContact O-N 3.09Å; N441-I503 HydrophobicContact CB-CG2 4.28Å
442E89.2Confident93.4Very high98 Ų9838.3 Ų38.346%0.45820%0.195SC..Hα-helixtrans-60.1-47.7-176.8178.4168.3-164.700113.3G272 I273 N440 V445 K446G272-E442 WeakPolarHBondContact CA-OE1 3.35Å; G272-E442 PolarHBondContact N-OE1 3.33Å; I273-E442 HydrophobicContact CG2-CB 4.3Å; N440-E442 PolarHBondContact O-N 3.25Å; E442-V445 PolarHBondContact O-N 3.16Å; E442-K446 PolarHBondContact O-N 3.46Å
443E87.3Confident93.3Very high121 Ų12141.6 Ų41.657%0.56522%0.215SC*.Hα-helixtrans-65.9-41.5178.9-71.1-62.915800111.3K446 L447E443-K446 WeakPolarHBondContact O-CB 3.5Å; E443-K446 PolarHBondContact O-N 2.88Å; E443-L447 WeakPolarHBondContact O-CG 3.36Å; E443-L447 PolarHBondContact O-N 3.42Å
444G91.8Very high93.2Very high7 Ų742 Ų427%0.07222%0.215CC..Hα-helixtrans-62.9-44.117500000112.8N441 K446 L447 V448 I503N441-G444 PolarHBondContact O-N 2.78Å; N441-G444 PolarHBondContact OD1-N 3.07Å; G444-K446 VanDerWaalsContact C-N 3.28Å; G444-K446 PolarHBondContact O-N 3.26Å; G444-L447 PolarHBondContact O-N 2.94Å; G444-L447 VanDerWaalsContact O-N 3.13Å; G444-V448 WeakPolarHBondContact O-CG2 3.44Å; G444-V448 PolarHBondContact O-N 2.96Å; G444-I503 VanDerWaalsContact C-CG2 3.45Å; G444-I503 VanDerWaalsContact CA-CG2 3.44Å
445V93.2Very high93.4Very high0 Ų040.3 Ų40.30%021%0.206CC..Hα-helixtrans-57.7-42.9175.3164.90000110.9C436 N441 E442 V448 R449C436-V445 HydrophobicContact CB-CG1 4.02Å; C436-V445 HydrophobicContact CB-CG2 4.19Å; N441-V445 WeakPolarHBondContact O-CB 3.49Å; N441-V445 WeakPolarHBondContact O-CG2 3.46Å; N441-V445 PolarHBondContact O-N 3.09Å; E442-V445 PolarHBondContact O-N 3.16Å; V445-V448 PolarHBondContact O-N 3.44Å; V445-R449 HydrophobicContact CG1-CG 4.43Å; V445-R449 WeakPolarHBondContact O-CB 3.32Å; V445-R449 VanDerWaalsContact O-CG 3.32Å; V445-R449 WeakPolarHBondContact O-CG 3.17Å; V445-R449 PolarHBondContact O-N 3.28Å
446K89.9Confident93.4Very high40 Ų4043.8 Ų43.817%0.17423%0.225CC..Hα-helixtrans-59.5-47.2175.3176.5-177.6174.7-178.40111.6D265 H270 E442 E443 G444 V448 R449 M450D265-K446 WeakPolarHBondContact OD2-CE 3.44Å; D265-K446 IonicContact OD2-NZ 2.66Å; D265-K446 PolarHBondContact OD2-NZ 3.3Å; H270-K446 HydrophobicContact CB-CG 4.29Å; H270-K446 WeakPolarHBondContact O-CB 3.06Å; E442-K446 PolarHBondContact O-N 3.46Å; E443-K446 WeakPolarHBondContact O-CB 3.5Å; E443-K446 PolarHBondContact O-N 2.88Å; G444-K446 VanDerWaalsContact C-N 3.28Å; G444-K446 PolarHBondContact O-N 3.26Å; K446-V448 PolarHBondContact O-N 2.92Å; K446-R449 PolarHBondContact O-N 3.5Å; K446-M450 HydrophobicContact CG-SD 4.04Å; K446-M450 WeakPolarHBondContact O-CB 3.37Å; K446-M450 VanDerWaalsContact O-CG 3.27Å; K446-M450 WeakPolarHBondContact O-CG 3.2Å; K446-M450 PolarHBondContact O-N 3.47Å
447L92.3Very high93.5Very high96 Ų9645.5 Ų45.550%0.50324%0.237SC..Hα-helixtrans-61.1-44178.7-68.6176000112.3E443 G444 M450 A451E443-L447 WeakPolarHBondContact O-CG 3.36Å; E443-L447 PolarHBondContact O-N 3.42Å; G444-L447 PolarHBondContact O-N 2.94Å; G444-L447 VanDerWaalsContact O-N 3.13Å; L447-M450 PolarHBondContact O-N 2.9Å; L447-A451 WeakPolarHBondContact O-CB 3.35Å; L447-A451 PolarHBondContact O-N 3.45Å
448V96.2Very high93.6Very high0 Ų044.6 Ų44.60%023%0.23CC..Hα-helixtrans-62.1-48.3176.8175.20000111.2A432 C436 G444 V445 K446 M450 A451 A452 L496 A499 V500 I503A432-V448 HydrophobicContact CB-CG1 3.76Å; C436-V448 VanDerWaalsContact SG-CB 3.56Å; C436-V448 WeakPolarHBondContact SG-CG1 3.42Å; G444-V448 WeakPolarHBondContact O-CG2 3.44Å; G444-V448 PolarHBondContact O-N 2.96Å; V445-V448 PolarHBondContact O-N 3.44Å; K446-V448 PolarHBondContact O-N 2.92Å; V448-M450 VanDerWaalsContact C-N 3.3Å; V448-M450 PolarHBondContact O-N 3.33Å; V448-A451 PolarHBondContact O-N 3.11Å; V448-A451 VanDerWaalsContact O-N 3.15Å; V448-A452 WeakPolarHBondContact O-CB 3.43Å; V448-A452 PolarHBondContact O-N 3.24Å; V448-L496 HydrophobicContact CG1-CD1 4.21Å; V448-A499 HydrophobicContact CG2-CB 3.72Å; V448-A499 WeakPolarHBondContact CG2-O 3.5Å; V448-V500 HydrophobicContact CG1-CG2 3.84Å; V448-V500 HydrophobicContact CG2-CG2 4.2Å; V448-I503 HydrophobicContact CG2-CD1 3.84Å; V448-I503 HydrophobicContact CG2-CG1 4.14Å; V448-I503 HydrophobicContact CG2-CG2 4.43Å
449R94.7Very high93.9Very high46 Ų4643.5 Ų43.517%0.17423%0.225CC..Hα-helixtrans-61.6-38.1179-71.7179.1178.4-139.2-4.5112.2G269 H270 V445 K446 T453G269-R449 PolarHBondContact O-NH1 3.21Å; H270-R449 HydrophobicContact CB-CB 4.44Å; V445-R449 HydrophobicContact CG1-CG 4.43Å; V445-R449 WeakPolarHBondContact O-CB 3.32Å; V445-R449 VanDerWaalsContact O-CG 3.32Å; V445-R449 WeakPolarHBondContact O-CG 3.17Å; V445-R449 PolarHBondContact O-N 3.28Å; K446-R449 PolarHBondContact O-N 3.5Å; R449-T453 WeakPolarHBondContact O-CB 3.38Å; R449-T453 PolarHBondContact O-N 3.37Å; R449-T453 PolarHBondContact O-OG1 3.39Å
450M91.8Very high94.1Very high69 Ų6945.6 Ų45.634%0.3424%0.238SC..Hα-helixtrans-65.1-44.4174-73.7175.860.800111.9K446 L447 V448 T453 Q454K446-M450 HydrophobicContact CG-SD 4.04Å; K446-M450 WeakPolarHBondContact O-CB 3.37Å; K446-M450 VanDerWaalsContact O-CG 3.27Å; K446-M450 WeakPolarHBondContact O-CG 3.2Å; K446-M450 PolarHBondContact O-N 3.47Å; L447-M450 PolarHBondContact O-N 2.9Å; V448-M450 VanDerWaalsContact C-N 3.3Å; V448-M450 PolarHBondContact O-N 3.33Å; M450-T453 PolarHBondContact O-N 3.06Å; M450-Q454 WeakPolarHBondContact O-CG 3.33Å; M450-Q454 PolarHBondContact O-N 3.19Å; M450-Q454 VanDerWaalsContact O-N 3.13Å
451A95.5Very high94.5Very high3 Ų342.2 Ų42.23%0.02522%0.22CC..Hα-helixtrans-65-40.3177.300000111.8L447 V448 Q454 I455 V495 L496L447-A451 WeakPolarHBondContact O-CB 3.35Å; L447-A451 PolarHBondContact O-N 3.45Å; V448-A451 PolarHBondContact O-N 3.11Å; V448-A451 VanDerWaalsContact O-N 3.15Å; A451-Q454 WeakPolarHBondContact O-CB 3.48Å; A451-Q454 PolarHBondContact O-N 3.14Å; A451-I455 PolarHBondContact O-N 3.46Å; A451-V495 HydrophobicContact CB-CG1 4.21Å; A451-L496 HydrophobicContact CB-CB 4.13Å; A451-L496 HydrophobicContact CB-CD1 3.79Å
452A97.1Very high94.8Very high2 Ų238.8 Ų38.82%0.01720%0.201CC..Hα-helixtrans-64-45.1176.700000111.8V429 V448 Q454 I455 D456 L496V429-A452 HydrophobicContact CG1-CB 4.24Å; V429-A452 HydrophobicContact CG2-CB 4.25Å; V448-A452 WeakPolarHBondContact O-CB 3.43Å; V448-A452 PolarHBondContact O-N 3.24Å; A452-Q454 PolarHBondContact O-N 3.45Å; A452-I455 WeakPolarHBondContact O-CB 3.31Å; A452-I455 PolarHBondContact O-N 3.44Å; A452-D456 PolarHBondContact O-N 3.36Å; A452-L496 HydrophobicContact CB-CD1 4.17Å
453T95.2Very high95.3Very high68 Ų6834.6 Ų34.642%0.41718%0.182SC..Hα-helixtrans-59.6-36.3174.8-56.90000111.6R449 M450 D456 S457R449-T453 WeakPolarHBondContact O-CB 3.38Å; R449-T453 PolarHBondContact O-N 3.37Å; R449-T453 PolarHBondContact O-OG1 3.39Å; M450-T453 PolarHBondContact O-N 3.06Å; T453-D456 PolarHBondContact O-N 2.89Å; T453-S457 WeakPolarHBondContact O-CB 3.36Å; T453-S457 PolarHBondContact O-N 3.1Å
454Q95.1Very high95.8Very high72 Ų7230.2 Ų30.234%0.33616%0.163SC..Hα-helixtrans-67.4-39.7175-74.2-176.757.100112.2M450 A451 A452 S457 L458 Q492M450-Q454 WeakPolarHBondContact O-CG 3.33Å; M450-Q454 PolarHBondContact O-N 3.19Å; M450-Q454 VanDerWaalsContact O-N 3.13Å; A451-Q454 WeakPolarHBondContact O-CB 3.48Å; A451-Q454 PolarHBondContact O-N 3.14Å; A452-Q454 PolarHBondContact O-N 3.45Å; Q454-S457 PolarHBondContact O-N 2.81Å; Q454-S457 PolarHBondContact O-OG 2.88Å; Q454-L458 VanDerWaalsContact O-CB 3.23Å; Q454-L458 WeakPolarHBondContact O-CB 3.45Å; Q454-L458 PolarHBondContact O-N 3.21Å; Q454-Q492 HydrophobicContact CB-CG 3.92Å
455I97.9Very high96.1Very high0 Ų029.9 Ų29.90%016%0.159CC..Hα-helixtrans-59.3-49.5173-70.7-64.6000111A425 V429 A451 A452 S457 L458 C459 W489 Q492 V493 L496A425-I455 HydrophobicContact CB-CG2 4.48Å; V429-I455 HydrophobicContact CG2-CB 4.08Å; V429-I455 HydrophobicContact CG2-CG2 3.73Å; A451-I455 PolarHBondContact O-N 3.46Å; A452-I455 WeakPolarHBondContact O-CB 3.31Å; A452-I455 PolarHBondContact O-N 3.44Å; I455-S457 VanDerWaalsContact C-N 3.28Å; I455-S457 PolarHBondContact O-N 3.24Å; I455-L458 PolarHBondContact O-N 2.86Å; I455-L458 VanDerWaalsContact O-N 3.14Å; I455-C459 WeakPolarHBondContact O-CB 3.38Å; I455-C459 PolarHBondContact O-N 3.13Å; I455-W489 HydrophobicContact CD1-CE3 4.4Å; I455-W489 HydrophobicContact CD1-CH2 4.27Å; I455-W489 HydrophobicContact CD1-CZ3 4.15Å; I455-W489 HydrophobicContact CG2-CH2 3.65Å; I455-W489 HydrophobicContact CG2-CZ3 3.97Å; I455-Q492 HydrophobicContact CD1-CB 3.81Å; I455-Q492 HydrophobicContact CD1-CG 3.53Å; I455-Q492 HydrophobicContact CG1-CG 3.94Å; I455-V493 HydrophobicContact CD1-CG2 3.68Å; I455-L496 HydrophobicContact CG1-CD2 3.97Å
456D97.4Very high96.4Very high75 Ų7529.9 Ų29.940%0.40116%0.159SC..Hα-helixtrans-56.4-42.8176.8-80.1-27000112A452 T453 P460A452-D456 PolarHBondContact O-N 3.36Å; T453-D456 PolarHBondContact O-N 2.89Å; D456-P460 WeakPolarHBondContact O-CD 3.47Å
457S96.3Very high96.8Very high36 Ų3630.2 Ų30.225%0.25216%0.163SC..Hα-helixtrans-69.4-32.8-179.981.60000113.3Y242 T453 Q454 I455Y242-S457 PolarHBondContact OH-OG 2.9Å; T453-S457 WeakPolarHBondContact O-CB 3.36Å; T453-S457 PolarHBondContact O-N 3.1Å; Q454-S457 PolarHBondContact O-N 2.81Å; Q454-S457 PolarHBondContact O-OG 2.88Å; I455-S457 VanDerWaalsContact C-N 3.28Å; I455-S457 PolarHBondContact O-N 3.24Å
458L97.6Very high97.1Very high4 Ų425.7 Ų25.72%0.02114%0.139CC..Hα-helixtrans-87.7-33.2-173.3-174.263.2000112.3Q454 I455 Q461 V462 F485 Q488 W489 Q492Q454-L458 VanDerWaalsContact O-CB 3.23Å; Q454-L458 WeakPolarHBondContact O-CB 3.45Å; Q454-L458 PolarHBondContact O-N 3.21Å; I455-L458 PolarHBondContact O-N 2.86Å; I455-L458 VanDerWaalsContact O-N 3.14Å; L458-Q461 HydrophobicContact CD1-CB 4.42Å; L458-Q461 WeakPolarHBondContact O-CA 3.28Å; L458-Q461 VanDerWaalsContact O-CB 3.3Å; L458-Q461 WeakPolarHBondContact O-CB 3.3Å; L458-Q461 PolarHBondContact O-N 3.27Å; L458-V462 HydrophobicContact CG-CG2 4.15Å; L458-V462 PolarHBondContact O-N 3.14Å; L458-F485 HydrophobicContact CD1-CD1 3.98Å; L458-F485 HydrophobicContact CD1-CE1 4.27Å; L458-Q488 HydrophobicContact CD1-CG 4.15Å; L458-Q488 HydrophobicContact CD2-CB 4.45Å; L458-Q488 HydrophobicContact CD2-CG 3.9Å; L458-W489 HydrophobicContact CB-CE3 4.33Å; L458-W489 HydrophobicContact CD2-CB 4.2Å; L458-W489 HydrophobicContact CD2-CE3 4Å; L458-W489 HydrophobicContact CG-CE3 4.05Å; L458-Q492 HydrophobicContact CD2-CB 4.14Å
459C98.5Very high97.2Very high6 Ų625.7 Ų25.74%0.04114%0.139CC..Hα-helixtrans-46.5-55.1179.21760000113.7F421 A425 I455 Q461 V462 I463 W489F421-C459 HydrophobicContact CE1-CB 4.48Å; A425-C459 HydrophobicContact CB-CB 4.16Å; I455-C459 WeakPolarHBondContact O-CB 3.38Å; I455-C459 PolarHBondContact O-N 3.13Å; C459-Q461 PolarHBondContact O-N 3.49Å; C459-V462 PolarHBondContact O-N 2.78Å; C459-I463 WeakPolarHBondContact O-CG1 3.37Å; C459-I463 PolarHBondContact O-N 2.83Å; C459-W489 HydrophobicContact CB-CH2 4.15Å; C459-W489 HydrophobicContact CB-CZ3 3.81Å
460P98.3Very high97.3Very high54 Ų5423.7 Ų23.735%0.35113%0.132SC..Hα-helixtrans-62.8-25.3177.624.8-34.5000113.2D456 N464D456-P460 WeakPolarHBondContact O-CD 3.47Å; P460-N464 WeakPolarHBondContact O-CB 3.41Å; P460-N464 PolarHBondContact O-N 3.41Å; P460-N464 PolarHBondContact O-ND2 2.74Å; P460-N464 VanDerWaalsContact O-ND2 3.09Å
461Q98.3Very high97.6Very high18 Ų1821.2 Ų21.28%0.08412%0.123CC..Hα-helixtrans-77-37.9-179.9-48-50.9-32.300112.4N239 Y242 L458 C459 I463 N464 A465 F485N239-Q461 VanDerWaalsContact ND2-CA 3.35Å; N239-Q461 WeakPolarHBondContact ND2-CA 3.26Å; N239-Q461 PolarHBondContact ND2-O 3.37Å; N239-Q461 PolarHBondContact ND2-OE1 3.02Å; N239-Q461 VanDerWaalsContact ND2-OE1 3.15Å; Y242-Q461 HydrophobicContact CD1-CG 3.61Å; Y242-Q461 HydrophobicContact CD2-CG 3.96Å; Y242-Q461 HydrophobicContact CE1-CG 3.84Å; Y242-Q461 HydrophobicContact CE2-CG 4.15Å; Y242-Q461 HydrophobicContact CG-CG 3.67Å; L458-Q461 HydrophobicContact CD1-CB 4.42Å; L458-Q461 WeakPolarHBondContact O-CA 3.28Å; L458-Q461 VanDerWaalsContact O-CB 3.3Å; L458-Q461 WeakPolarHBondContact O-CB 3.3Å; L458-Q461 PolarHBondContact O-N 3.27Å; C459-Q461 PolarHBondContact O-N 3.49Å; Q461-I463 VanDerWaalsContact C-N 3.32Å; Q461-N464 PolarHBondContact O-N 2.83Å; Q461-A465 WeakPolarHBondContact O-CB 3.48Å; Q461-A465 PolarHBondContact O-N 3.45Å; Q461-F485 HydrophobicContact CB-CD1 4Å; Q461-F485 HydrophobicContact CB-CE1 3.62Å; Q461-F485 HydrophobicContact CB-CZ 4.32Å
462V98.5Very high97.7Very high0 Ų025.5 Ų25.50%014%0.138CC..Hα-helixtrans-61.3-44.4171.3177.70000110.2L399 L402 F421 L458 C459 N464 A465 A466 M482 W489L399-V462 HydrophobicContact CD1-CG1 3.47Å; L399-V462 VanDerWaalsContact CD1-CG1 3.47Å; L402-V462 HydrophobicContact CD2-CG1 4.48Å; F421-V462 HydrophobicContact CE1-CB 3.94Å; F421-V462 HydrophobicContact CE1-CG1 3.92Å; F421-V462 HydrophobicContact CE2-CG1 4.41Å; F421-V462 HydrophobicContact CZ-CB 3.99Å; F421-V462 HydrophobicContact CZ-CG1 3.7Å; F421-V462 HydrophobicContact CZ-CG2 4.35Å; L458-V462 HydrophobicContact CG-CG2 4.15Å; L458-V462 PolarHBondContact O-N 3.14Å; C459-V462 PolarHBondContact O-N 2.78Å; V462-N464 PolarHBondContact O-N 2.99Å; V462-A465 PolarHBondContact O-N 2.83Å; V462-A466 PolarHBondContact O-N 3.35Å; V462-M482 HydrophobicContact CG1-CE 3.85Å; V462-W489 HydrophobicContact CG2-CB 3.89Å; V462-W489 HydrophobicContact CG2-CD2 4.23Å; V462-W489 HydrophobicContact CG2-CE3 3.87Å; V462-W489 HydrophobicContact CG2-CG 4.27Å
463I98.5Very high97.7Very high9 Ų927.1 Ų27.15%0.04615%0.148CC..Hα-helixtrans-61.1-44.7175.6-65.3169.6000110.9A418 F421 R422 C459 Q461 A465 A466 L467A418-I463 HydrophobicContact CB-CD1 4.27Å; A418-I463 HydrophobicContact CB-CG1 4.14Å; A418-I463 HydrophobicContact CB-CG2 3.77Å; F421-I463 HydrophobicContact CD1-CD1 4.13Å; F421-I463 HydrophobicContact CD1-CG1 3.83Å; F421-I463 HydrophobicContact CE1-CG1 4.23Å; R422-I463 HydrophobicContact CB-CD1 4.35Å; C459-I463 WeakPolarHBondContact O-CG1 3.37Å; C459-I463 PolarHBondContact O-N 2.83Å; Q461-I463 VanDerWaalsContact C-N 3.32Å; I463-A465 VanDerWaalsContact C-N 3.31Å; I463-A465 PolarHBondContact O-N 3.1Å; I463-A466 PolarHBondContact O-N 2.7Å; I463-L467 HydrophobicContact CG2-CD1 3.96Å; I463-L467 HydrophobicContact CG2-CG 4.33Å; I463-L467 WeakPolarHBondContact O-CB 3.43Å; I463-L467 WeakPolarHBondContact O-CG 3.36Å; I463-L467 PolarHBondContact O-N 3.48Å
464N98.3Very high97.8Very high30 Ų3032.1 Ų32.116%0.1617%0.167CC..Hα-helixtrans-62.4-37.8176.9-76.3-28.4000112.4A235 A238 N239 P460 Q461 V462 T468A235-N464 HydrophobicContact CB-CB 3.95Å; A235-N464 WeakPolarHBondContact CB-O 3.23Å; A238-N464 VanDerWaalsContact CB-ND2 3.35Å; A238-N464 WeakPolarHBondContact CB-ND2 3.16Å; N239-N464 VanDerWaalsContact ND2-CB 3.28Å; N239-N464 WeakPolarHBondContact ND2-CB 3.47Å; P460-N464 WeakPolarHBondContact O-CB 3.41Å; P460-N464 PolarHBondContact O-N 3.41Å; P460-N464 PolarHBondContact O-ND2 2.74Å; P460-N464 VanDerWaalsContact O-ND2 3.09Å; Q461-N464 PolarHBondContact O-N 2.83Å; V462-N464 PolarHBondContact O-N 2.99Å; N464-T468 WeakPolarHBondContact O-CB 3.26Å; N464-T468 PolarHBondContact O-N 2.77Å; N464-T468 PolarHBondContact O-OG1 3.25Å
465A98.5Very high97.9Very high0 Ų029.4 Ų29.40%016%0.156CC..Hα-helixtrans-65.9-41.817500000111N239 Q461 V462 I463 T468 L469 M482 F485N239-A465 WeakPolarHBondContact OD1-CA 3.19Å; N239-A465 PolarHBondContact OD1-N 2.7Å; Q461-A465 WeakPolarHBondContact O-CB 3.48Å; Q461-A465 PolarHBondContact O-N 3.45Å; V462-A465 PolarHBondContact O-N 2.83Å; I463-A465 VanDerWaalsContact C-N 3.31Å; I463-A465 PolarHBondContact O-N 3.1Å; A465-T468 WeakPolarHBondContact O-CB 3.42Å; A465-T468 PolarHBondContact O-N 3.27Å; A465-L469 PolarHBondContact O-N 3.33Å; A465-M482 HydrophobicContact CB-CE 4.3Å; A465-M482 HydrophobicContact CB-SD 3.66Å; A465-F485 HydrophobicContact CB-CB 4.04Å; A465-F485 HydrophobicContact CB-CD2 3.77Å; A465-F485 HydrophobicContact CB-CG 4.1Å
466A98.6Very high97.9Very high0 Ų035.2 Ų35.20%018%0.181CC..Hα-helixtrans-64.8-44.2176.200000112L402 A406 V414 V462 I463 T468 L469 A470 M482L402-A466 HydrophobicContact CD1-CB 3.99Å; L402-A466 HydrophobicContact CD2-CB 4.04Å; L402-A466 HydrophobicContact CG-CB 3.81Å; A406-A466 HydrophobicContact CB-CB 4.16Å; A406-A466 WeakPolarHBondContact CB-O 3.35Å; V414-A466 HydrophobicContact CG1-CB 4.37Å; V462-A466 PolarHBondContact O-N 3.35Å; I463-A466 PolarHBondContact O-N 2.7Å; A466-T468 VanDerWaalsContact C-N 3.29Å; A466-T468 PolarHBondContact O-N 2.78Å; A466-L469 PolarHBondContact O-N 3.35Å; A466-A470 WeakPolarHBondContact O-CB 3.34Å; A466-A470 PolarHBondContact O-N 2.91Å; A466-M482 VanDerWaalsContact CA-SD 3.55Å; A466-M482 HydrophobicContact CB-SD 3.93Å; A466-M482 PolarHBondContact N-SD 3.33Å
467L98.2Very high97.9Very high47 Ų4732.3 Ų32.325%0.24617%0.166CC..Hα-helixtrans-61.4-37.9174.3-72.5170.4000112.1A235 V414 K415 I463 A470 A471A235-L467 HydrophobicContact CB-CB 4.18Å; V414-L467 HydrophobicContact CG1-CD2 3.81Å; V414-L467 HydrophobicContact CG1-CG 4.32Å; K415-L467 HydrophobicContact CG-CD2 4.39Å; I463-L467 HydrophobicContact CG2-CD1 3.96Å; I463-L467 HydrophobicContact CG2-CG 4.33Å; I463-L467 WeakPolarHBondContact O-CB 3.43Å; I463-L467 WeakPolarHBondContact O-CG 3.36Å; I463-L467 PolarHBondContact O-N 3.48Å; L467-A470 PolarHBondContact O-N 2.84Å; L467-A471 WeakPolarHBondContact O-CB 3.11Å; L467-A471 PolarHBondContact O-N 3.34Å
468T98.1Very high97.9Very high0 Ų030.6 Ų30.60%015%0.154CC..Hα-helixtrans-63.4-45.1174.7-60.70000111.4T236 N464 A465 A466 A471 R472 A478T236-T468 HydrophobicContact CG2-CG2 3.42Å; T236-T468 VanDerWaalsContact CG2-CG2 3.42Å; N464-T468 WeakPolarHBondContact O-CB 3.26Å; N464-T468 PolarHBondContact O-N 2.77Å; N464-T468 PolarHBondContact O-OG1 3.25Å; A465-T468 WeakPolarHBondContact O-CB 3.42Å; A465-T468 PolarHBondContact O-N 3.27Å; A466-T468 VanDerWaalsContact C-N 3.29Å; A466-T468 PolarHBondContact O-N 2.78Å; T468-A471 PolarHBondContact O-N 2.68Å; T468-R472 PolarHBondContact O-N 3.46Å; T468-A478 HydrophobicContact CG2-CB 4.1Å
469L98.5Very high98Very high1 Ų133.2 Ų33.21%0.00517%0.167CC..Hα-helixtrans-65.8-41.4177.5179.460000111.5A406 K407 A465 A466 A471 R472 P473 A478 Q479 M482A406-L469 HydrophobicContact CB-CB 4.13Å; A406-L469 HydrophobicContact CB-CD2 4.02Å; A406-L469 HydrophobicContact CB-CG 4.1Å; K407-L469 HydrophobicContact CG-CD2 3.94Å; A465-L469 PolarHBondContact O-N 3.33Å; A466-L469 PolarHBondContact O-N 3.35Å; L469-A471 PolarHBondContact O-N 3.42Å; L469-R472 CarbonylContact O-C 3.12Å; L469-R472 PolarHBondContact O-N 2.77Å; L469-P473 WeakPolarHBondContact O-CA 3.37Å; L469-A478 HydrophobicContact CD1-CB 4.19Å; L469-Q479 HydrophobicContact CD1-CB 4.39Å; L469-Q479 HydrophobicContact CD1-CG 3.53Å; L469-M482 HydrophobicContact CD2-CB 3.97Å; L469-M482 HydrophobicContact CD2-CG 3.9Å
470A98Very high98Very high4 Ų435.3 Ų35.33%0.03318%0.177CC..Hα-helixtrans-61.5-41.617700000112.9A406 G409 E411 V414 A466 L467 R472 P473A406-A470 HydrophobicContact CB-CB 4.37Å; A406-A470 WeakPolarHBondContact O-CA 3.3Å; G409-A470 WeakPolarHBondContact CA-O 3.36Å; E411-A470 HydrophobicContact CG-CB 4.16Å; V414-A470 HydrophobicContact CB-CB 4.36Å; V414-A470 HydrophobicContact CG1-CB 4.37Å; V414-A470 HydrophobicContact CG2-CB 3.83Å; A466-A470 WeakPolarHBondContact O-CB 3.34Å; A466-A470 PolarHBondContact O-N 2.91Å; L467-A470 PolarHBondContact O-N 2.84Å; A470-R472 PolarHBondContact O-N 3.04Å; A470-P473 WeakPolarHBondContact O-CD 3.14Å
471A97.7Very high97.9Very high17 Ų1732.7 Ų32.714%0.1416%0.16CC..Hα-helixtrans-68.6-25.1175.800000112.5V233 L467 T468 L469V233-A471 HydrophobicContact CG1-CB 4.4Å; V233-A471 HydrophobicContact CG2-CB 4.06Å; L467-A471 WeakPolarHBondContact O-CB 3.11Å; L467-A471 PolarHBondContact O-N 3.34Å; T468-A471 PolarHBondContact O-N 2.68Å; L469-A471 PolarHBondContact O-N 3.42Å
472R97.7Very high97.9Very high93 Ų9331.9 Ų31.935%0.35116%0.156SC..SBendtrans-140.962.2-172.7-57.9-69.3176.7-110.86.2111.6H230 D232 V233 T468 L469 A470 Q474 S475H230-R472 HydrophobicContact CB-CG 4.45Å; H230-R472 WeakPolarHBondContact ND1-CD 3.5Å; H230-R472 WeakPolarHBondContact ND1-CG 3.4Å; D232-R472 IonicContact OD2-CZ 2.72Å; D232-R472 IonicContact OD2-NH2 3.39Å; D232-R472 PolarHBondContact OD2-NH2 3.48Å; V233-R472 HydrophobicContact CG2-CG 4.4Å; T468-R472 PolarHBondContact O-N 3.46Å; L469-R472 CarbonylContact O-C 3.12Å; L469-R472 PolarHBondContact O-N 2.77Å; A470-R472 PolarHBondContact O-N 3.04Å; R472-Q474 VanDerWaalsContact C-N 3.28Å; R472-Q474 PolarHBondContact O-N 2.92Å; R472-S475 WeakPolarHBondContact O-CB 3.22Å; R472-S475 PolarHBondContact O-N 3.12Å
473P96.4Very high97.9Very high35 Ų3535.3 Ų35.323%0.22718%0.175CC..THydrogen-bonded Turntrans-66.4-28.5-166.923.5-33.7000113.7L469 A470 S475 Q479L469-P473 WeakPolarHBondContact O-CA 3.37Å; A470-P473 WeakPolarHBondContact O-CD 3.14Å; P473-S475 VanDerWaalsContact C-N 3.32Å; P473-Q479 PolarHBondContact O-NE2 3.27Å
474Q97Very high97.9Very high173 Ų17336.3 Ų36.381%0.80818%0.181SC*.THydrogen-bonded Turntrans-85.9-1.8177.6-56.8-57.4-30.100113.5R472 K476R472-Q474 VanDerWaalsContact C-N 3.28Å; R472-Q474 PolarHBondContact O-N 2.92Å; Q474-K476 PolarHBondContact O-N 3.43Å
475S97.7Very high97.9Very high16 Ų1634.9 Ų34.911%0.11217%0.174CC..  trans-80.7111.9-179.1172.90000110.7H230 R472 P473 V477 A478 Q479H230-S475 VanDerWaalsContact NE2-CB 3.33Å; H230-S475 WeakPolarHBondContact NE2-CB 3.29Å; H230-S475 PolarHBondContact NE2-OG 3.17Å; R472-S475 WeakPolarHBondContact O-CB 3.22Å; R472-S475 PolarHBondContact O-N 3.12Å; P473-S475 VanDerWaalsContact C-N 3.32Å; S475-V477 PolarHBondContact O-N 3.27Å; S475-A478 WeakPolarHBondContact O-CB 3.46Å; S475-A478 PolarHBondContact O-N 3.01Å; S475-A478 PolarHBondContact OG-N 3.29Å; S475-Q479 PolarHBondContact O-N 3.2Å
476K97.7Very high97.9Very high121 Ų12137.6 Ų37.653%0.52619%0.186SC..Hα-helixtrans-54.8-40.9174.5-176.551.4175.51550112.6Q474 A478 Q479 D480Q474-K476 PolarHBondContact O-N 3.43Å; K476-A478 VanDerWaalsContact C-N 3.28Å; K476-A478 PolarHBondContact O-N 3.34Å; K476-Q479 WeakPolarHBondContact O-CB 3.43Å; K476-Q479 PolarHBondContact O-N 3.46Å; K476-D480 WeakPolarHBondContact CE-OD1 3.33Å; K476-D480 IonicContact NZ-OD1 3.74Å; K476-D480 PolarHBondContact NZ-OD1 2.96Å; K476-D480 WeakPolarHBondContact O-CB 3.17Å; K476-D480 PolarHBondContact O-N 2.63Å
477V97.3Very high97.9Very high14 Ų1440.7 Ų40.79%0.08520%0.202CC..Hα-helixtrans-63.3-33.6176.9-177.30000112.5Q225 A226 S475 N481Q225-V477 VanDerWaalsContact C-CG1 3.48Å; Q225-V477 HydrophobicContact CB-CG1 3.74Å; Q225-V477 HydrophobicContact CG-CG1 3.57Å; Q225-V477 HydrophobicContact CG-CG2 4.12Å; A226-V477 HydrophobicContact CB-CG1 4.11Å; A226-V477 VanDerWaalsContact N-CG1 3.34Å; S475-V477 PolarHBondContact O-N 3.27Å; V477-N481 WeakPolarHBondContact O-CB 3.14Å; V477-N481 PolarHBondContact O-N 3.21Å
478A97.9Very high97.8Very high0 Ų039.3 Ų39.30%019%0.194CC..Hα-helixtrans-74.7-38.2178.500000110.7T468 L469 S475 K476 N481 M482T468-A478 HydrophobicContact CG2-CB 4.1Å; L469-A478 HydrophobicContact CD1-CB 4.19Å; S475-A478 WeakPolarHBondContact O-CB 3.46Å; S475-A478 PolarHBondContact O-N 3.01Å; S475-A478 PolarHBondContact OG-N 3.29Å; K476-A478 VanDerWaalsContact C-N 3.28Å; K476-A478 PolarHBondContact O-N 3.34Å; A478-N481 PolarHBondContact O-N 2.97Å; A478-M482 PolarHBondContact O-N 3.5Å
479Q98.2Very high97.8Very high60 Ų6039.3 Ų39.328%0.2819%0.194SC..Hα-helixtrans-62.4-49.8172.7-65.8170.73.300111.1L469 P473 S475 K476 N481 M482 D483L469-Q479 HydrophobicContact CD1-CB 4.39Å; L469-Q479 HydrophobicContact CD1-CG 3.53Å; P473-Q479 PolarHBondContact O-NE2 3.27Å; S475-Q479 PolarHBondContact O-N 3.2Å; K476-Q479 WeakPolarHBondContact O-CB 3.43Å; K476-Q479 PolarHBondContact O-N 3.46Å; Q479-N481 VanDerWaalsContact C-N 3.28Å; Q479-N481 PolarHBondContact O-N 3.05Å; Q479-M482 WeakPolarHBondContact O-CB 3.47Å; Q479-M482 PolarHBondContact O-N 2.77Å; Q479-M482 VanDerWaalsContact O-N 3.09Å; Q479-D483 PolarHBondContact O-N 3.04Å
480D98Very high97.8Very high49 Ų4940.8 Ų40.826%0.26220%0.201SC..Hα-helixtrans-60.1-39.4178.7-65.6-21000111.5K476 D483 V484K476-D480 WeakPolarHBondContact CE-OD1 3.33Å; K476-D480 IonicContact NZ-OD1 3.74Å; K476-D480 PolarHBondContact NZ-OD1 2.96Å; K476-D480 WeakPolarHBondContact O-CB 3.17Å; K476-D480 PolarHBondContact O-N 2.63Å; D480-D483 PolarHBondContact O-N 3.34Å; D480-V484 WeakPolarHBondContact O-CG2 3.39Å; D480-V484 PolarHBondContact O-N 3.45Å; D480-V484 VanDerWaalsContact O-N 3.15Å
481N98Very high97.7Very high0 Ų045.4 Ų45.40%022%0.22CC..Hα-helixtrans-64.3-45.2174.1-171.662.1000112.1T222 A223 A226 N239 V477 A478 Q479 D483 V484 F485T222-N481 PolarHBondContact OG1-OD1 3.46Å; A223-N481 VanDerWaalsContact CA-OD1 3.32Å; A223-N481 WeakPolarHBondContact CA-OD1 3.32Å; A223-N481 PolarHBondContact N-OD1 2.96Å; A226-N481 HydrophobicContact CB-CB 4.2Å; N239-N481 PolarHBondContact OD1-ND2 3.17Å; V477-N481 WeakPolarHBondContact O-CB 3.14Å; V477-N481 PolarHBondContact O-N 3.21Å; A478-N481 PolarHBondContact O-N 2.97Å; Q479-N481 VanDerWaalsContact C-N 3.28Å; Q479-N481 PolarHBondContact O-N 3.05Å; N481-D483 VanDerWaalsContact C-N 3.35Å; N481-D483 PolarHBondContact O-N 3.14Å; N481-V484 PolarHBondContact O-N 2.81Å; N481-F485 VanDerWaalsContact O-CD2 3.3Å; N481-F485 WeakPolarHBondContact O-CD2 3.38Å; N481-F485 PolarHBondContact O-N 3.49Å; N481-F485 VanDerWaalsContact O-N 3.11Å; N481-F485 WeakPolarHBondContact OD1-CE2 3.36Å
482M98.4Very high97.7Very high0 Ų044.9 Ų44.90%022%0.215CC..Hα-helixtrans-60.4-44.2176.2-172.365.8-121.700111.7I403 V462 A465 A466 L469 A478 Q479 V484 F485 K486I403-M482 HydrophobicContact CD1-CE 3.79Å; I403-M482 HydrophobicContact CD1-CG 4.42Å; I403-M482 HydrophobicContact CG1-CE 3.7Å; I403-M482 HydrophobicContact CG1-CG 4.14Å; I403-M482 HydrophobicContact CG1-SD 4.23Å; V462-M482 HydrophobicContact CG1-CE 3.85Å; A465-M482 HydrophobicContact CB-CE 4.3Å; A465-M482 HydrophobicContact CB-SD 3.66Å; A466-M482 VanDerWaalsContact CA-SD 3.55Å; A466-M482 HydrophobicContact CB-SD 3.93Å; A466-M482 PolarHBondContact N-SD 3.33Å; L469-M482 HydrophobicContact CD2-CB 3.97Å; L469-M482 HydrophobicContact CD2-CG 3.9Å; A478-M482 PolarHBondContact O-N 3.5Å; Q479-M482 WeakPolarHBondContact O-CB 3.47Å; Q479-M482 PolarHBondContact O-N 2.77Å; Q479-M482 VanDerWaalsContact O-N 3.09Å; M482-V484 VanDerWaalsContact C-N 3.34Å; M482-V484 PolarHBondContact O-N 2.6Å; M482-F485 PolarHBondContact O-N 3.07Å; M482-K486 HydrophobicContact CE-CB 4.42Å; M482-K486 VanDerWaalsContact O-CB 3.29Å; M482-K486 WeakPolarHBondContact O-CB 3.36Å; M482-K486 PolarHBondContact O-N 3.01Å
483D98.3Very high97.7Very high73 Ų7340.6 Ų40.639%0.3920%0.199SC..Hα-helixtrans-62.4-40.1-179.3-71.6-25.1000111.9Q479 D480 N481 K486 D487Q479-D483 PolarHBondContact O-N 3.04Å; D480-D483 PolarHBondContact O-N 3.34Å; N481-D483 VanDerWaalsContact C-N 3.35Å; N481-D483 PolarHBondContact O-N 3.14Å; D483-K486 PolarHBondContact O-N 3.32Å; D483-D487 WeakPolarHBondContact O-CB 3.45Å; D483-D487 PolarHBondContact O-N 2.9Å
484V98.1Very high97.7Very high30 Ų3044.7 Ų44.718%0.18221%0.21CC..Hα-helixtrans-67.4-42.8176.1175.70000111.5T218 M219 T222 D480 N481 M482 K486 Q488T218-V484 HydrophobicContact CG2-CG1 4.05Å; T218-V484 HydrophobicContact CG2-CG2 3.91Å; M219-V484 HydrophobicContact CB-CG1 4.34Å; M219-V484 HydrophobicContact CG-CG1 3.52Å; T222-V484 HydrophobicContact CG2-CG2 3.86Å; D480-V484 WeakPolarHBondContact O-CG2 3.39Å; D480-V484 PolarHBondContact O-N 3.45Å; D480-V484 VanDerWaalsContact O-N 3.15Å; N481-V484 PolarHBondContact O-N 2.81Å; M482-V484 VanDerWaalsContact C-N 3.34Å; M482-V484 PolarHBondContact O-N 2.6Å; V484-K486 VanDerWaalsContact C-N 3.35Å; V484-Q488 WeakPolarHBondContact O-CB 3.33Å; V484-Q488 PolarHBondContact O-N 2.91Å
485F98.3Very high97.7Very high0 Ų039.8 Ų39.80%019%0.192CC..Hα-helixtrans-68.5-33.9176.5-83.8-73000112.6M219 A223 N239 V243 L458 Q461 A465 N481 M482 Q488 W489M219-F485 HydrophobicContact SD-CD1 4.12Å; M219-F485 HydrophobicContact SD-CE1 3.8Å; M219-F485 HydrophobicContact SD-CZ 4.37Å; A223-F485 HydrophobicContact CB-CE2 4.41Å; N239-F485 HydrophobicContact CB-CE2 3.99Å; N239-F485 HydrophobicContact CB-CZ 4Å; V243-F485 HydrophobicContact CG2-CZ 3.95Å; L458-F485 HydrophobicContact CD1-CD1 3.98Å; L458-F485 HydrophobicContact CD1-CE1 4.27Å; Q461-F485 HydrophobicContact CB-CD1 4Å; Q461-F485 HydrophobicContact CB-CE1 3.62Å; Q461-F485 HydrophobicContact CB-CZ 4.32Å; A465-F485 HydrophobicContact CB-CB 4.04Å; A465-F485 HydrophobicContact CB-CD2 3.77Å; A465-F485 HydrophobicContact CB-CG 4.1Å; N481-F485 VanDerWaalsContact O-CD2 3.3Å; N481-F485 WeakPolarHBondContact O-CD2 3.38Å; N481-F485 PolarHBondContact O-N 3.49Å; N481-F485 VanDerWaalsContact O-N 3.11Å; N481-F485 WeakPolarHBondContact OD1-CE2 3.36Å; M482-F485 PolarHBondContact O-N 3.07Å; F485-Q488 PolarHBondContact O-N 3.42Å; F485-W489 WeakPolarHBondContact O-CB 3.4Å; F485-W489 PolarHBondContact O-N 3.44Å
486K98.3Very high97.7Very high57 Ų5739 Ų3925%0.24819%0.186CC..Hα-helixtrans-60.3-56171.8178.8-163.7169.91780110.8L399 I403 M482 D483 V484 Q488 W489 E490L399-K486 HydrophobicContact CD2-CG 3.77Å; L399-K486 HydrophobicContact CG-CG 4.41Å; I403-K486 HydrophobicContact CD1-CB 3.88Å; I403-K486 HydrophobicContact CD1-CD 3.68Å; I403-K486 HydrophobicContact CD1-CG 3.65Å; M482-K486 HydrophobicContact CE-CB 4.42Å; M482-K486 VanDerWaalsContact O-CB 3.29Å; M482-K486 WeakPolarHBondContact O-CB 3.36Å; M482-K486 PolarHBondContact O-N 3.01Å; D483-K486 PolarHBondContact O-N 3.32Å; V484-K486 VanDerWaalsContact C-N 3.35Å; K486-Q488 PolarHBondContact O-N 3.45Å; K486-W489 WeakPolarHBondContact O-CB 3.27Å; K486-W489 PolarHBondContact O-N 3.14Å; K486-W489 VanDerWaalsContact O-N 3.09Å; K486-E490 WeakPolarHBondContact CE-OE1 3.29Å; K486-E490 IonicContact NZ-OE1 3.7Å; K486-E490 WeakPolarHBondContact O-CG 3.29Å; K486-E490 PolarHBondContact O-N 2.92Å
487D97.7Very high97.7Very high65 Ų6534 Ų3435%0.34817%0.166SC..Hα-helixtrans-57.9-40.1178.817266000111.4D483 W489 K491D483-D487 WeakPolarHBondContact O-CB 3.45Å; D483-D487 PolarHBondContact O-N 2.9Å; D487-W489 PolarHBondContact O-N 3.4Å; D487-K491 VanDerWaalsContact CG-NZ 3.27Å; D487-K491 WeakPolarHBondContact O-CB 3.5Å; D487-K491 VanDerWaalsContact O-CG 3.3Å; D487-K491 WeakPolarHBondContact O-CG 2.96Å; D487-K491 PolarHBondContact O-N 2.9Å; D487-K491 WeakPolarHBondContact OD1-CE 3.47Å; D487-K491 IonicContact OD1-NZ 3.83Å; D487-K491 PolarHBondContact OD1-NZ 2.93Å; D487-K491 VanDerWaalsContact OD1-NZ 3.08Å; D487-K491 WeakPolarHBondContact OD2-CE 3.48Å; D487-K491 IonicContact OD2-NZ 3.41Å; D487-K491 PolarHBondContact OD2-NZ 3.48Å
488Q96.8Very high97.6Very high17 Ų1737.9 Ų37.98%0.07918%0.183CC..Hα-helixtrans-65.9-38.4177-173.249.362.400112.9K215 M219 L458 V484 F485 K486 Q492K215-Q488 VanDerWaalsContact CG-OE1 3.25Å; M219-Q488 HydrophobicContact CE-CG 4.32Å; M219-Q488 HydrophobicContact SD-CB 4.15Å; M219-Q488 HydrophobicContact SD-CG 3.81Å; L458-Q488 HydrophobicContact CD1-CG 4.15Å; L458-Q488 HydrophobicContact CD2-CB 4.45Å; L458-Q488 HydrophobicContact CD2-CG 3.9Å; V484-Q488 WeakPolarHBondContact O-CB 3.33Å; V484-Q488 PolarHBondContact O-N 2.91Å; F485-Q488 PolarHBondContact O-N 3.42Å; K486-Q488 PolarHBondContact O-N 3.45Å; Q488-Q492 WeakPolarHBondContact O-CB 3.36Å; Q488-Q492 PolarHBondContact O-N 3.33Å
489W98.1Very high97.5Very high0 Ų038.3 Ų38.30%019%0.187CC..Hα-helixtrans-64.4-52.6175.2176.4-89.6000111.4L399 F421 A425 I455 L458 C459 V462 F485 K486 D487 K491 Q492 V493L399-W489 HydrophobicContact CD2-CG 4.31Å; F421-W489 HydrophobicContact CE1-CH2 4.23Å; F421-W489 HydrophobicContact CE1-CZ2 4.36Å; F421-W489 HydrophobicContact CE1-CZ3 4.36Å; F421-W489 HydrophobicContact CE2-CD2 4.12Å; F421-W489 AromaticContact CE2-CE2 3.53Å; F421-W489 HydrophobicContact CE2-CH2 4.32Å; F421-W489 AromaticContact CE2-CZ2 3.65Å; F421-W489 HydrophobicContact CE2-CZ2 3.65Å; F421-W489 AromaticContact CE2-NE1 3.71Å; F421-W489 AromaticContact CZ-CD2 3.6Å; F421-W489 HydrophobicContact CZ-CD2 3.6Å; F421-W489 AromaticContact CZ-CE2 3.4Å; F421-W489 AromaticContact CZ-CE3 3.83Å; F421-W489 HydrophobicContact CZ-CE3 3.83Å; F421-W489 HydrophobicContact CZ-CG 4.3Å; F421-W489 AromaticContact CZ-CH2 3.69Å; F421-W489 HydrophobicContact CZ-CH2 3.69Å; F421-W489 AromaticContact CZ-CZ2 3.45Å; F421-W489 HydrophobicContact CZ-CZ2 3.45Å; F421-W489 VanDerWaalsContact CZ-CZ2 3.45Å; F421-W489 AromaticContact CZ-CZ3 3.88Å; F421-W489 HydrophobicContact CZ-CZ3 3.88Å; F421-W489 AromaticContact CZ-NE1 3.99Å; A425-W489 HydrophobicContact CB-CH2 3.57Å; A425-W489 HydrophobicContact CB-CZ2 4.17Å; I455-W489 HydrophobicContact CD1-CE3 4.4Å; I455-W489 HydrophobicContact CD1-CH2 4.27Å; I455-W489 HydrophobicContact CD1-CZ3 4.15Å; I455-W489 HydrophobicContact CG2-CH2 3.65Å; I455-W489 HydrophobicContact CG2-CZ3 3.97Å; L458-W489 HydrophobicContact CB-CE3 4.33Å; L458-W489 HydrophobicContact CD2-CB 4.2Å; L458-W489 HydrophobicContact CD2-CE3 4Å; L458-W489 HydrophobicContact CG-CE3 4.05Å; C459-W489 HydrophobicContact CB-CH2 4.15Å; C459-W489 HydrophobicContact CB-CZ3 3.81Å; V462-W489 HydrophobicContact CG2-CB 3.89Å; V462-W489 HydrophobicContact CG2-CD2 4.23Å; V462-W489 HydrophobicContact CG2-CE3 3.87Å; V462-W489 HydrophobicContact CG2-CG 4.27Å; F485-W489 WeakPolarHBondContact O-CB 3.4Å; F485-W489 PolarHBondContact O-N 3.44Å; K486-W489 WeakPolarHBondContact O-CB 3.27Å; K486-W489 PolarHBondContact O-N 3.14Å; K486-W489 VanDerWaalsContact O-N 3.09Å; D487-W489 PolarHBondContact O-N 3.4Å; W489-K491 VanDerWaalsContact C-N 3.28Å; W489-K491 PolarHBondContact O-N 3.27Å; W489-Q492 PolarHBondContact O-N 3.03Å; W489-V493 HydrophobicContact CD2-CG2 4.24Å; W489-V493 HydrophobicContact CG-CG2 4.42Å; W489-V493 HydrophobicContact CZ2-CG2 4.03Å; W489-V493 WeakPolarHBondContact O-CG2 3.23Å; W489-V493 PolarHBondContact O-N 2.8Å
490E98Very high97.4Very high33 Ų3335.5 Ų35.515%0.15417%0.174CC..Hα-helixtrans-59.6-39.7-179-66.5-180177.500111.9L399 K486 R494L399-E490 HydrophobicContact CD2-CG 3.9Å; K486-E490 WeakPolarHBondContact CE-OE1 3.29Å; K486-E490 IonicContact NZ-OE1 3.7Å; K486-E490 WeakPolarHBondContact O-CG 3.29Å; K486-E490 PolarHBondContact O-N 2.92Å; E490-R494 WeakPolarHBondContact O-CG 3.39Å; E490-R494 PolarHBondContact O-N 3.38Å; E490-R494 PolarHBondContact O-NE 3.27Å; E490-R494 IonicContact OE2-NH2 3.78Å; E490-R494 PolarHBondContact OE2-NH2 3.28Å
491K96.6Very high97.3Very high100 Ų10034.3 Ų34.344%0.43517%0.167SC..Hα-helixtrans-63.3-41.5172.9-76.3171.3178162.70112.2D487 W489 R494 V495D487-K491 VanDerWaalsContact CG-NZ 3.27Å; D487-K491 WeakPolarHBondContact O-CB 3.5Å; D487-K491 VanDerWaalsContact O-CG 3.3Å; D487-K491 WeakPolarHBondContact O-CG 2.96Å; D487-K491 PolarHBondContact O-N 2.9Å; D487-K491 WeakPolarHBondContact OD1-CE 3.47Å; D487-K491 IonicContact OD1-NZ 3.83Å; D487-K491 PolarHBondContact OD1-NZ 2.93Å; D487-K491 VanDerWaalsContact OD1-NZ 3.08Å; D487-K491 WeakPolarHBondContact OD2-CE 3.48Å; D487-K491 IonicContact OD2-NZ 3.41Å; D487-K491 PolarHBondContact OD2-NZ 3.48Å; W489-K491 VanDerWaalsContact C-N 3.28Å; W489-K491 PolarHBondContact O-N 3.27Å; K491-R494 PolarHBondContact O-N 2.94Å; K491-V495 WeakPolarHBondContact O-CG2 3.31Å; K491-V495 PolarHBondContact O-N 2.99Å
492Q97.3Very high97.1Very high7 Ų739.9 Ų39.93%0.03320%0.197CC..Hα-helixtrans-70.4-36.8-179.1-166.758.846.300112.3Q454 I455 L458 Q488 W489 V495 L496Q454-Q492 HydrophobicContact CB-CG 3.92Å; I455-Q492 HydrophobicContact CD1-CB 3.81Å; I455-Q492 HydrophobicContact CD1-CG 3.53Å; I455-Q492 HydrophobicContact CG1-CG 3.94Å; L458-Q492 HydrophobicContact CD2-CB 4.14Å; Q488-Q492 WeakPolarHBondContact O-CB 3.36Å; Q488-Q492 PolarHBondContact O-N 3.33Å; W489-Q492 PolarHBondContact O-N 3.03Å; Q492-V495 PolarHBondContact O-N 2.94Å; Q492-L496 PolarHBondContact O-N 3.32Å
493V98.1Very high96.8Very high2 Ų240.8 Ų40.81%0.01220%0.202CC..Hα-helixtrans-64.6-41.3174169.40000110.7T395 L428 I455 W489 L496 T497T395-V493 HydrophobicContact CG2-CG1 4.05Å; L428-V493 HydrophobicContact CD1-CG1 4.48Å; L428-V493 HydrophobicContact CD1-CG2 4.31Å; I455-V493 HydrophobicContact CD1-CG2 3.68Å; W489-V493 HydrophobicContact CD2-CG2 4.24Å; W489-V493 HydrophobicContact CG-CG2 4.42Å; W489-V493 HydrophobicContact CZ2-CG2 4.03Å; W489-V493 WeakPolarHBondContact O-CG2 3.23Å; W489-V493 PolarHBondContact O-N 2.8Å; V493-L496 PolarHBondContact O-N 3.27Å; V493-T497 WeakPolarHBondContact O-CB 3.42Å; V493-T497 PolarHBondContact O-N 3.45Å; V493-T497 PolarHBondContact O-OG1 3.01Å
494R96.3Very high96.6Very high122 Ų12238.6 Ų38.646%0.4619%0.191SC..Hα-helixtrans-58-50.4172.5-81.9-177.9-98.5-109.80.2112E490 K491 L496 T497 E498E490-R494 WeakPolarHBondContact O-CG 3.39Å; E490-R494 PolarHBondContact O-N 3.38Å; E490-R494 PolarHBondContact O-NE 3.27Å; E490-R494 IonicContact OE2-NH2 3.78Å; E490-R494 PolarHBondContact OE2-NH2 3.28Å; K491-R494 PolarHBondContact O-N 2.94Å; R494-L496 VanDerWaalsContact C-N 3.3Å; R494-L496 PolarHBondContact O-N 2.93Å; R494-T497 WeakPolarHBondContact O-CB 3.32Å; R494-T497 PolarHBondContact O-N 3.31Å; R494-E498 WeakPolarHBondContact O-CG 3.39Å; R494-E498 PolarHBondContact O-N 2.95Å
495V96.6Very high96.2Very high69 Ų6939.2 Ų39.242%0.41820%0.197SC..Hα-helixtrans-58.1-41.4176.5170.90000112.1A451 K491 Q492 T497 A499A451-V495 HydrophobicContact CB-CG1 4.21Å; K491-V495 WeakPolarHBondContact O-CG2 3.31Å; K491-V495 PolarHBondContact O-N 2.99Å; Q492-V495 PolarHBondContact O-N 2.94Å; V495-T497 VanDerWaalsContact C-N 3.34Å; V495-A499 VanDerWaalsContact O-CB 3.31Å; V495-A499 WeakPolarHBondContact O-CB 3.44Å; V495-A499 PolarHBondContact O-N 3.36Å
496L98.1Very high95.9Very high0 Ų040 Ų400%020%0.201CC..Hα-helixtrans-63.9-41.9175.6179.663.1000111.5F392 L428 A432 V448 A451 A452 I455 Q492 V493 R494 A499 V500F392-L496 HydrophobicContact CE1-CD2 4.07Å; F392-L496 HydrophobicContact CE1-CG 4.02Å; F392-L496 HydrophobicContact CZ-CD2 4.11Å; F392-L496 HydrophobicContact CZ-CG 4.2Å; L428-L496 HydrophobicContact CB-CD2 4.25Å; A432-L496 HydrophobicContact CB-CD1 3.76Å; A432-L496 HydrophobicContact CB-CD2 4.34Å; A432-L496 HydrophobicContact CB-CG 4.36Å; V448-L496 HydrophobicContact CG1-CD1 4.21Å; A451-L496 HydrophobicContact CB-CB 4.13Å; A451-L496 HydrophobicContact CB-CD1 3.79Å; A452-L496 HydrophobicContact CB-CD1 4.17Å; I455-L496 HydrophobicContact CG1-CD2 3.97Å; Q492-L496 PolarHBondContact O-N 3.32Å; V493-L496 PolarHBondContact O-N 3.27Å; R494-L496 VanDerWaalsContact C-N 3.3Å; R494-L496 PolarHBondContact O-N 2.93Å; L496-A499 PolarHBondContact O-N 2.96Å; L496-V500 HydrophobicContact CD1-CG2 4.28Å; L496-V500 WeakPolarHBondContact O-CB 3.34Å; L496-V500 VanDerWaalsContact O-CG2 3.28Å; L496-V500 WeakPolarHBondContact O-CG2 3.34Å; L496-V500 PolarHBondContact O-N 3.41Å
497T96.7Very high95.5Very high16 Ų1638.9 Ų38.910%0.09820%0.198CC..Hα-helixtrans-63.3-51.4-179.5-53.20000110.8F392 V493 R494 V495 A499 V500 D501F392-T497 HydrophobicContact CD1-CG2 4.1Å; F392-T497 WeakPolarHBondContact CD1-OG1 3.45Å; V493-T497 WeakPolarHBondContact O-CB 3.42Å; V493-T497 PolarHBondContact O-N 3.45Å; V493-T497 PolarHBondContact O-OG1 3.01Å; R494-T497 WeakPolarHBondContact O-CB 3.32Å; R494-T497 PolarHBondContact O-N 3.31Å; V495-T497 VanDerWaalsContact C-N 3.34Å; T497-A499 VanDerWaalsContact C-N 3.34Å; T497-A499 PolarHBondContact O-N 3.28Å; T497-V500 PolarHBondContact O-N 3.1Å; T497-V500 VanDerWaalsContact O-N 3.16Å; T497-D501 VanDerWaalsContact O-CG 3.26Å; T497-D501 PolarHBondContact O-N 3.39Å
498E95.3Very high95.2Very high95 Ų9536.3 Ų36.344%0.44419%0.185SC..Hα-helixtrans-57.4-46.4177.3-70164.8-165.800111.1R494 V500 D501 D502R494-E498 WeakPolarHBondContact O-CG 3.39Å; R494-E498 PolarHBondContact O-N 2.95Å; E498-V500 VanDerWaalsContact C-N 3.32Å; E498-V500 PolarHBondContact O-N 2.96Å; E498-D501 PolarHBondContact O-N 3.36Å; E498-D502 VanDerWaalsContact O-CG 3.29Å; E498-D502 PolarHBondContact O-N 2.89Å
499A96.1Very high95.1Very high10 Ų1035.6 Ų35.68%0.08318%0.181CC..Hα-helixtrans-64.1-35.3178.400000113.2V448 V495 L496 T497V448-A499 HydrophobicContact CG2-CB 3.72Å; V448-A499 WeakPolarHBondContact CG2-O 3.5Å; V495-A499 VanDerWaalsContact O-CB 3.31Å; V495-A499 WeakPolarHBondContact O-CB 3.44Å; V495-A499 PolarHBondContact O-N 3.36Å; L496-A499 PolarHBondContact O-N 2.96Å; T497-A499 VanDerWaalsContact C-N 3.34Å; T497-A499 PolarHBondContact O-N 3.28Å
500V97.3Very high94.9Very high0 Ų035.7 Ų35.70%018%0.181CC..Hα-helixtrans-69.1-44.2175166.80000110.1I388 F392 A432 A435 V448 L496 T497 E498 D502 I503 T504I388-V500 HydrophobicContact CD1-CG1 3.6Å; I388-V500 HydrophobicContact CG1-CG1 4.01Å; I388-V500 HydrophobicContact CG2-CG1 4.42Å; F392-V500 HydrophobicContact CZ-CG2 4.17Å; A432-V500 HydrophobicContact CB-CG2 3.81Å; A435-V500 HydrophobicContact CB-CG1 4.2Å; V448-V500 HydrophobicContact CG1-CG2 3.84Å; V448-V500 HydrophobicContact CG2-CG2 4.2Å; L496-V500 HydrophobicContact CD1-CG2 4.28Å; L496-V500 WeakPolarHBondContact O-CB 3.34Å; L496-V500 VanDerWaalsContact O-CG2 3.28Å; L496-V500 WeakPolarHBondContact O-CG2 3.34Å; L496-V500 PolarHBondContact O-N 3.41Å; T497-V500 PolarHBondContact O-N 3.1Å; T497-V500 VanDerWaalsContact O-N 3.16Å; E498-V500 VanDerWaalsContact C-N 3.32Å; E498-V500 PolarHBondContact O-N 2.96Å; V500-D502 VanDerWaalsContact C-N 3.31Å; V500-D502 PolarHBondContact O-N 2.88Å; V500-I503 WeakPolarHBondContact O-CG1 3.45Å; V500-I503 PolarHBondContact O-N 2.92Å; V500-T504 HydrophobicContact CG1-CG2 4.49Å; V500-T504 WeakPolarHBondContact O-CG2 3.26Å; V500-T504 PolarHBondContact O-N 3.18Å; V500-T504 PolarHBondContact O-OG1 3.06Å
501D94.8Very high94.6Very high24 Ų2434.2 Ų34.213%0.12818%0.175CC..Hα-helixtrans-59.8-42.7178.6-67.2-28.4000110.3T497 E498 I503 T504 R549T497-D501 VanDerWaalsContact O-CG 3.26Å; T497-D501 PolarHBondContact O-N 3.39Å; E498-D501 PolarHBondContact O-N 3.36Å; D501-I503 PolarHBondContact O-N 3.36Å; D501-I503 VanDerWaalsContact O-N 3.14Å; D501-T504 WeakPolarHBondContact CA-OG1 3.32Å; D501-T504 PolarHBondContact O-N 3.44Å; D501-T504 PolarHBondContact O-OG1 3.48Å; D501-R549 IonicContact OD1-NH2 3.87Å; D501-R549 PolarHBondContact OD1-NH2 3.46Å; D501-R549 IonicContact OD2-NH2 3.74Å; D501-R549 PolarHBondContact OD2-NH2 2.88Å; D501-R549 VanDerWaalsContact OD2-NH2 3.08Å
502D93.2Very high94.5Very high118 Ų11829.5 Ų29.563%0.63115%0.154SC*.THydrogen-bonded Turntrans-59.8-22.4177.8-74.4-17.6000115.3E498 V500E498-D502 VanDerWaalsContact O-CG 3.29Å; E498-D502 PolarHBondContact O-N 2.89Å; V500-D502 VanDerWaalsContact C-N 3.31Å; V500-D502 PolarHBondContact O-N 2.88Å
503I93.9Very high94.4Very high19 Ų1929.1 Ų29.110%0.09715%0.153CC..THydrogen-bonded Turntrans-103.20.9178.766.2161.2000113.6A435 N441 G444 V448 V500 D501A435-I503 HydrophobicContact CB-CD1 4.08Å; N441-I503 HydrophobicContact CB-CG2 4.28Å; G444-I503 VanDerWaalsContact C-CG2 3.45Å; G444-I503 VanDerWaalsContact CA-CG2 3.44Å; V448-I503 HydrophobicContact CG2-CD1 3.84Å; V448-I503 HydrophobicContact CG2-CG1 4.14Å; V448-I503 HydrophobicContact CG2-CG2 4.43Å; V500-I503 WeakPolarHBondContact O-CG1 3.45Å; V500-I503 PolarHBondContact O-N 2.92Å; D501-I503 PolarHBondContact O-N 3.36Å; D501-I503 VanDerWaalsContact O-N 3.14Å
504T92.8Very high94.2Very high27 Ų2729.6 Ų29.617%0.16616%0.155CC..SBendtrans-111.8153.8-178.6590000111.9M385 I388 A435 V500 D501M385-T504 HydrophobicContact CE-CG2 4.49Å; M385-T504 HydrophobicContact SD-CG2 3.86Å; I388-T504 HydrophobicContact CD1-CG2 3.61Å; A435-T504 HydrophobicContact CB-CG2 4.43Å; V500-T504 HydrophobicContact CG1-CG2 4.49Å; V500-T504 WeakPolarHBondContact O-CG2 3.26Å; V500-T504 PolarHBondContact O-N 3.18Å; V500-T504 PolarHBondContact O-OG1 3.06Å; D501-T504 WeakPolarHBondContact CA-OG1 3.32Å; D501-T504 PolarHBondContact O-N 3.44Å; D501-T504 PolarHBondContact O-OG1 3.48Å
505S89.5Confident94Very high42 Ų4226.7 Ų26.729%0.29415%0.148SC..  trans-80.8128.9178.81720000110.6D507 D508 F509S505-D507 PolarHBondContact O-N 2.89Å; S505-D507 PolarHBondContact OG-N 3.49Å; S505-D507 VanDerWaalsContact OG-N 3.13Å; S505-D508 PolarHBondContact O-N 3.32Å; S505-D508 PolarHBondContact OG-N 2.91Å; S505-F509 WeakPolarHBondContact O-CB 3.37Å; S505-F509 PolarHBondContact O-N 3.15Å
506V92.3Very high93.9Very high16 Ų1623.4 Ų23.410%0.09713%0.128CC..Hα-helixtrans-58.5-35.3170.7172.30000111.3F509 L510 I553 I554 E557 V627V506-F509 PolarHBondContact O-N 2.72Å; V506-L510 HydrophobicContact CG1-CD1 3.98Å; V506-L510 HydrophobicContact CG1-CG 4.23Å; V506-L510 WeakPolarHBondContact O-CB 3.44Å; V506-L510 VanDerWaalsContact O-CG 3.29Å; V506-L510 WeakPolarHBondContact O-CG 3.47Å; V506-L510 PolarHBondContact O-N 3.45Å; V506-I553 HydrophobicContact CG2-CG2 3.98Å; V506-I554 HydrophobicContact CG1-CD1 3.35Å; V506-E557 HydrophobicContact CG1-CG 4.49Å; V506-E557 HydrophobicContact CG2-CB 4.1Å; V506-E557 HydrophobicContact CG2-CG 3.88Å; V506-V627 HydrophobicContact CG1-CG1 4.38Å
507D89.5Confident93.8Very high34 Ų3423.4 Ų23.418%0.18213%0.128CC..Hα-helixtrans-70-42.7-178.8-53.3-47.6000111.1S505 S511 R631S505-D507 PolarHBondContact O-N 2.89Å; S505-D507 PolarHBondContact OG-N 3.49Å; S505-D507 VanDerWaalsContact OG-N 3.13Å; D507-S511 VanDerWaalsContact O-CB 3.29Å; D507-S511 WeakPolarHBondContact O-CB 3.34Å; D507-S511 PolarHBondContact O-N 2.98Å; D507-R631 IonicContact OD1-CZ 3.28Å; D507-R631 IonicContact OD1-NE 3.54Å; D507-R631 PolarHBondContact OD1-NE 2.81Å; D507-R631 IonicContact OD1-NH2 2.89Å; D507-R631 IonicContact OD2-CZ 3.67Å; D507-R631 IonicContact OD2-NE 2.8Å; D507-R631 PolarHBondContact OD2-NE 3.05Å; D507-R631 VanDerWaalsContact OD2-NE 3.1Å
508D92Very high93.7Very high12 Ų1225.5 Ų25.56%0.06414%0.139CC..Hα-helixtrans-64.9-41173.3-73-41000110.5R381 M385 S505 S511 V512R381-D508 WeakPolarHBondContact CB-OD2 3.26Å; R381-D508 VanDerWaalsContact CD-OD2 3.32Å; R381-D508 WeakPolarHBondContact CD-OD2 3.44Å; R381-D508 IonicContact CZ-OD2 3.9Å; R381-D508 IonicContact NE-OD2 3.64Å; R381-D508 PolarHBondContact NE-OD2 2.89Å; M385-D508 HydrophobicContact CG-CB 3.8Å; S505-D508 PolarHBondContact O-N 3.32Å; S505-D508 PolarHBondContact OG-N 2.91Å; D508-S511 PolarHBondContact O-N 2.81Å; D508-V512 WeakPolarHBondContact O-CB 3.28Å; D508-V512 WeakPolarHBondContact O-CG2 3.44Å; D508-V512 PolarHBondContact O-N 2.85Å
509F94.7Very high93.6Very high2 Ų223.5 Ų23.51%0.00913%0.129CC..Hα-helixtrans-61-47.6176.2179-97.6000112.6M385 S505 V506 V512 S513 R549 V550 I553M385-F509 HydrophobicContact CE-CB 3.52Å; M385-F509 HydrophobicContact CE-CD2 3.45Å; M385-F509 VanDerWaalsContact CE-CD2 3.45Å; M385-F509 HydrophobicContact CE-CG 3.94Å; S505-F509 WeakPolarHBondContact O-CB 3.37Å; S505-F509 PolarHBondContact O-N 3.15Å; V506-F509 PolarHBondContact O-N 2.72Å; F509-V512 PolarHBondContact O-N 3.42Å; F509-S513 WeakPolarHBondContact CE1-OG 3.35Å; F509-S513 WeakPolarHBondContact CE2-OG 3.42Å; F509-S513 VanDerWaalsContact CZ-OG 3.22Å; F509-S513 WeakPolarHBondContact CZ-OG 3.08Å; F509-S513 WeakPolarHBondContact O-CB 3.43Å; F509-S513 PolarHBondContact O-N 3.41Å; F509-S513 PolarHBondContact O-OG 2.9Å; F509-R549 HydrophobicContact CZ-CB 4.03Å; F509-V550 HydrophobicContact CE1-CB 4.37Å; F509-V550 HydrophobicContact CE1-CG2 3.71Å; F509-V550 HydrophobicContact CZ-CG2 4.24Å; F509-I553 HydrophobicContact CD1-CD1 3.77Å; F509-I553 HydrophobicContact CD1-CG2 4.31Å; F509-I553 HydrophobicContact CD2-CD1 3.92Å; F509-I553 HydrophobicContact CE1-CB 4.46Å; F509-I553 HydrophobicContact CE1-CD1 3.46Å; F509-I553 VanDerWaalsContact CE1-CD1 3.46Å; F509-I553 HydrophobicContact CE2-CD1 3.6Å; F509-I553 HydrophobicContact CG-CD1 4.01Å; F509-I553 HydrophobicContact CZ-CD1 3.38Å
510L94.6Very high93.6Very high1 Ų123.3 Ų23.31%0.00513%0.127CC..Hα-helixtrans-65.4-44178.8-73.6175.4000111.3V506 V512 S513 E514 V550 I554 I623 R624 V627V506-L510 HydrophobicContact CG1-CD1 3.98Å; V506-L510 HydrophobicContact CG1-CG 4.23Å; V506-L510 WeakPolarHBondContact O-CB 3.44Å; V506-L510 VanDerWaalsContact O-CG 3.29Å; V506-L510 WeakPolarHBondContact O-CG 3.47Å; V506-L510 PolarHBondContact O-N 3.45Å; L510-V512 VanDerWaalsContact C-N 3.34Å; L510-V512 PolarHBondContact O-N 3.49Å; L510-S513 PolarHBondContact O-N 3.43Å; L510-E514 VanDerWaalsContact O-CB 3.26Å; L510-E514 WeakPolarHBondContact O-CB 3.4Å; L510-E514 PolarHBondContact O-N 3.19Å; L510-V550 HydrophobicContact CD2-CG1 3.81Å; L510-I554 HydrophobicContact CD1-CD1 3.81Å; L510-I554 HydrophobicContact CD2-CD1 4.03Å; L510-I554 HydrophobicContact CD2-CG1 4.13Å; L510-I554 HydrophobicContact CG-CD1 4.14Å; L510-I623 HydrophobicContact CD2-CG2 4.26Å; L510-R624 HydrophobicContact CB-CB 4.12Å; L510-R624 HydrophobicContact CB-CG 3.9Å; L510-R624 HydrophobicContact CD1-CB 4.21Å; L510-R624 HydrophobicContact CD1-CG 4.3Å; L510-V627 HydrophobicContact CD1-CB 3.91Å; L510-V627 HydrophobicContact CD1-CG1 4.05Å; L510-V627 HydrophobicContact CD1-CG2 3.89Å
511S92Very high93.5Very high2 Ų223.6 Ų23.61%0.01413%0.129CC..Hα-helixtrans-59.7-44177.6179.40000111.7K382 D507 D508 N515K382-S511 PolarHBondContact NZ-OG 2.97Å; D507-S511 VanDerWaalsContact O-CB 3.29Å; D507-S511 WeakPolarHBondContact O-CB 3.34Å; D507-S511 PolarHBondContact O-N 2.98Å; D508-S511 PolarHBondContact O-N 2.81Å; S511-N515 PolarHBondContact O-N 3.5Å; S511-N515 PolarHBondContact O-ND2 3.48Å
512V93.5Very high93.5Very high1 Ų126.6 Ų26.61%0.00615%0.145CC..Hα-helixtrans-72.6-43.3178170.10000111.7K382 M385 D386 D508 F509 L510 E514 N515 H516K382-V512 HydrophobicContact CB-CG2 3.94Å; K382-V512 HydrophobicContact CG-CG2 4.14Å; M385-V512 HydrophobicContact CB-CB 3.94Å; M385-V512 HydrophobicContact CB-CG1 4.12Å; M385-V512 HydrophobicContact CB-CG2 3.81Å; D386-V512 WeakPolarHBondContact OD1-CG1 3.43Å; D508-V512 WeakPolarHBondContact O-CB 3.28Å; D508-V512 WeakPolarHBondContact O-CG2 3.44Å; D508-V512 PolarHBondContact O-N 2.85Å; F509-V512 PolarHBondContact O-N 3.42Å; L510-V512 VanDerWaalsContact C-N 3.34Å; L510-V512 PolarHBondContact O-N 3.49Å; V512-E514 VanDerWaalsContact C-N 3.34Å; V512-E514 PolarHBondContact O-N 2.79Å; V512-N515 PolarHBondContact O-N 2.9Å; V512-H516 PolarHBondContact O-CD2 3.13Å; V512-H516 PolarHBondContact O-N 3.05Å
513S95.2Very high93.6Very high0 Ų025.4 Ų25.40%013%0.134CC..Hα-helixtrans-65.3-35.9-179.4-61.60000112.6F509 L510 H516 I517F509-S513 WeakPolarHBondContact CE1-OG 3.35Å; F509-S513 WeakPolarHBondContact CE2-OG 3.42Å; F509-S513 VanDerWaalsContact CZ-OG 3.22Å; F509-S513 WeakPolarHBondContact CZ-OG 3.08Å; F509-S513 WeakPolarHBondContact O-CB 3.43Å; F509-S513 PolarHBondContact O-N 3.41Å; F509-S513 PolarHBondContact O-OG 2.9Å; L510-S513 PolarHBondContact O-N 3.43Å; S513-H516 PolarHBondContact O-N 3.44Å; S513-I517 WeakPolarHBondContact O-CB 3.21Å; S513-I517 VanDerWaalsContact O-CG1 3.26Å; S513-I517 WeakPolarHBondContact O-CG1 3.31Å; S513-I517 PolarHBondContact O-N 2.95Å
514E93.9Very high93.6Very high11 Ų1124.5 Ų24.55%0.05113%0.129CC..Hα-helixtrans-57.6-48.2172.1177.5-177.3174.800111.3L510 V512 I517 L518 Y617 V620 R621 R624L510-E514 VanDerWaalsContact O-CB 3.26Å; L510-E514 WeakPolarHBondContact O-CB 3.4Å; L510-E514 PolarHBondContact O-N 3.19Å; V512-E514 VanDerWaalsContact C-N 3.34Å; V512-E514 PolarHBondContact O-N 2.79Å; E514-I517 PolarHBondContact O-N 3.23Å; E514-L518 PolarHBondContact O-N 2.97Å; E514-Y617 HydrophobicContact CG-CD2 4.23Å; E514-Y617 HydrophobicContact CG-CE2 3.51Å; E514-Y617 PolarHBondContact OE1-OH 3.27Å; E514-V620 HydrophobicContact CB-CG1 4.26Å; E514-R621 WeakPolarHBondContact OE1-CD 3.49Å; E514-R621 WeakPolarHBondContact OE1-CG 3.46Å; E514-R621 IonicContact OE1-NE 2.69Å; E514-R624 WeakPolarHBondContact OE2-CD 3.47Å; E514-R624 IonicContact OE2-CZ 3.1Å; E514-R624 IonicContact OE2-NE 2.7Å; E514-R624 IonicContact OE2-NH1 2.65Å; E514-R624 PolarHBondContact OE2-NH1 3.22Å
515N92.3Very high93.7Very high61 Ų6124.3 Ų24.333%0.32613%0.128SC..Hα-helixtrans-66.2-44178.6-72.4-56.9000111.9S511 V512 I517 L518 E519S511-N515 PolarHBondContact O-N 3.5Å; S511-N515 PolarHBondContact O-ND2 3.48Å; V512-N515 PolarHBondContact O-N 2.9Å; N515-I517 VanDerWaalsContact C-N 3.34Å; N515-I517 PolarHBondContact O-N 3.16Å; N515-L518 WeakPolarHBondContact O-CB 3.41Å; N515-L518 PolarHBondContact O-N 3.38Å; N515-E519 WeakPolarHBondContact O-CG 3.45Å; N515-E519 PolarHBondContact O-N 3.1Å
516H94.6Very high93.9Very high0 Ų026.4 Ų26.40%014%0.135CC..Hα-helixtrans-62.9-40.1177.9-75.4-162.5000112.4D386 S389 D390 V512 S513 L518 E519 D520 R546D386-H516 IonicContact OD1-CE1 3.09Å; D386-H516 IonicContact OD1-NE2 3.7Å; D386-H516 PolarHBondContact OD1-NE2 2.92Å; S389-H516 PolarHBondContact OG-ND1 3.35Å; D390-H516 IonicContact OD1-CE1 2.74Å; D390-H516 IonicContact OD1-ND1 2.72Å; V512-H516 PolarHBondContact O-CD2 3.13Å; V512-H516 PolarHBondContact O-N 3.05Å; S513-H516 PolarHBondContact O-N 3.44Å; H516-L518 VanDerWaalsContact C-N 3.32Å; H516-E519 WeakPolarHBondContact O-CB 3.39Å; H516-E519 PolarHBondContact O-N 3.39Å; H516-D520 WeakPolarHBondContact O-CB 3.32Å; H516-D520 PolarHBondContact O-N 3.2Å; H516-R546 PolarHBondContact ND1-NH1 2.68Å
517I95.5Very high94Very high0 Ų025.8 Ų25.80%013%0.132CC..Hα-helixtrans-65.5-38.9175.5-73.7174000110.5S513 E514 N515 D520 V521 R546 V616 V620S513-I517 WeakPolarHBondContact O-CB 3.21Å; S513-I517 VanDerWaalsContact O-CG1 3.26Å; S513-I517 WeakPolarHBondContact O-CG1 3.31Å; S513-I517 PolarHBondContact O-N 2.95Å; E514-I517 PolarHBondContact O-N 3.23Å; N515-I517 VanDerWaalsContact C-N 3.34Å; N515-I517 PolarHBondContact O-N 3.16Å; I517-D520 PolarHBondContact O-N 2.83Å; I517-V521 HydrophobicContact CG2-CG2 4.3Å; I517-V521 WeakPolarHBondContact O-CB 3.35Å; I517-V521 VanDerWaalsContact O-CG2 3.23Å; I517-V521 WeakPolarHBondContact O-CG2 3.43Å; I517-V521 PolarHBondContact O-N 2.95Å; I517-R546 HydrophobicContact CD1-CB 3.93Å; I517-R546 HydrophobicContact CG1-CB 3.89Å; I517-V616 HydrophobicContact CG2-CG1 4.05Å; I517-V620 HydrophobicContact CD1-CB 4.34Å; I517-V620 HydrophobicContact CD1-CG1 4.23Å; I517-V620 HydrophobicContact CD1-CG2 3.5Å
518L94Very high94.2Very high61 Ų6124.4 Ų24.432%0.31912%0.124SC..Hα-helixtrans-63-43.4174.1-175.659.9000112.2E514 N515 H516 V521 N522 Y617E514-L518 PolarHBondContact O-N 2.97Å; N515-L518 WeakPolarHBondContact O-CB 3.41Å; N515-L518 PolarHBondContact O-N 3.38Å; H516-L518 VanDerWaalsContact C-N 3.32Å; L518-V521 PolarHBondContact O-N 3.17Å; L518-N522 VanDerWaalsContact O-CG 3.31Å; L518-N522 PolarHBondContact O-N 3.17Å; L518-N522 PolarHBondContact O-ND2 3.21Å; L518-N522 VanDerWaalsContact O-ND2 3.16Å; L518-Y617 HydrophobicContact CB-CD2 3.71Å; L518-Y617 HydrophobicContact CB-CE2 3.85Å; L518-Y617 HydrophobicContact CD1-CD2 4.03Å; L518-Y617 HydrophobicContact CD1-CE2 4.27Å; L518-Y617 HydrophobicContact CD1-CG 4.21Å; L518-Y617 HydrophobicContact CD2-CE2 4.07Å; L518-Y617 HydrophobicContact CG-CD2 4.31Å; L518-Y617 HydrophobicContact CG-CE2 4.29Å
519E93.3Very high94.1Very high52 Ų5229.8 Ų29.824%0.24315%0.149CC..Hα-helixtrans-58.8-47173.7-71.8172.8-159.100111.7R324 N515 H516 N522 K523R324-E519 IonicContact CZ-OE2 2.93Å; R324-E519 IonicContact NE-OE1 3.13Å; R324-E519 IonicContact NE-OE2 3.99Å; R324-E519 PolarHBondContact NE-OE2 2.68Å; R324-E519 IonicContact NH2-OE2 2.67Å; N515-E519 WeakPolarHBondContact O-CG 3.45Å; N515-E519 PolarHBondContact O-N 3.1Å; H516-E519 WeakPolarHBondContact O-CB 3.39Å; H516-E519 PolarHBondContact O-N 3.39Å; E519-N522 PolarHBondContact O-N 3Å; E519-K523 WeakPolarHBondContact O-CG 3.38Å; E519-K523 PolarHBondContact O-N 2.88Å
520D96Very high94.1Very high6 Ų636.7 Ų36.73%0.03218%0.181CC..Hα-helixtrans-68.7-38.2-178.7-66.3-23.6000110.9H516 I517 N522 K523 C524 T539 I543 R546H516-D520 WeakPolarHBondContact O-CB 3.32Å; H516-D520 PolarHBondContact O-N 3.2Å; I517-D520 PolarHBondContact O-N 2.83Å; D520-N522 PolarHBondContact O-N 2.97Å; D520-K523 PolarHBondContact O-N 2.64Å; D520-K523 IonicContact OD1-NZ 2.65Å; D520-K523 PolarHBondContact OD1-NZ 2.98Å; D520-C524 PolarHBondContact O-N 2.88Å; D520-T539 HydrophobicContact CB-CG2 3.93Å; D520-T539 WeakPolarHBondContact O-CG2 3.39Å; D520-I543 HydrophobicContact CB-CD1 4.1Å; D520-I543 HydrophobicContact CB-CG1 3.57Å; D520-R546 IonicContact OD2-CZ 3.79Å; D520-R546 IonicContact OD2-NE 3.7Å; D520-R546 PolarHBondContact OD2-NE 3.48Å; D520-R546 IonicContact OD2-NH2 2.92Å; D520-R546 PolarHBondContact OD2-NH2 3.46Å
521V95.7Very high93.9Very high6 Ų638.3 Ų38.34%0.03620%0.198CC..Hα-helixtrans-59.4-46.6171.8162.60000110.9I517 L518 K523 C524 V525 I543I517-V521 HydrophobicContact CG2-CG2 4.3Å; I517-V521 WeakPolarHBondContact O-CB 3.35Å; I517-V521 VanDerWaalsContact O-CG2 3.23Å; I517-V521 WeakPolarHBondContact O-CG2 3.43Å; I517-V521 PolarHBondContact O-N 2.95Å; L518-V521 PolarHBondContact O-N 3.17Å; V521-K523 VanDerWaalsContact C-N 3.34Å; V521-K523 PolarHBondContact O-N 3.37Å; V521-C524 WeakPolarHBondContact O-CB 3.27Å; V521-C524 PolarHBondContact O-N 3.38Å; V521-V525 WeakPolarHBondContact O-CG2 3.48Å; V521-V525 PolarHBondContact O-N 3.41Å; V521-I543 HydrophobicContact CG2-CD1 3.94Å
522N94.3Very high94Very high87 Ų8741 Ų4147%0.46521%0.212SC..Hα-helixtrans-62.7-41177.5-72.4-33.7000111.8L518 E519 D520 V525 I526L518-N522 VanDerWaalsContact O-CG 3.31Å; L518-N522 PolarHBondContact O-N 3.17Å; L518-N522 PolarHBondContact O-ND2 3.21Å; L518-N522 VanDerWaalsContact O-ND2 3.16Å; E519-N522 PolarHBondContact O-N 3Å; D520-N522 PolarHBondContact O-N 2.97Å; N522-V525 PolarHBondContact O-N 3.29Å; N522-I526 WeakPolarHBondContact O-CG1 3.48Å; N522-I526 PolarHBondContact O-N 3.41Å
523K95.6Very high94Very high94 Ų9442.5 Ų42.541%0.40922%0.222SC..Hα-helixtrans-63-40.5174.4-72.9171.7-165.81590112.2E519 D520 V521 I526 A527 T539E519-K523 WeakPolarHBondContact O-CG 3.38Å; E519-K523 PolarHBondContact O-N 2.88Å; D520-K523 PolarHBondContact O-N 2.64Å; D520-K523 IonicContact OD1-NZ 2.65Å; D520-K523 PolarHBondContact OD1-NZ 2.98Å; V521-K523 VanDerWaalsContact C-N 3.34Å; V521-K523 PolarHBondContact O-N 3.37Å; K523-I526 PolarHBondContact O-N 3.07Å; K523-A527 WeakPolarHBondContact O-CB 3.39Å; K523-A527 PolarHBondContact O-N 3.12Å; K523-T539 HydrophobicContact CB-CG2 3.81Å
524C95.1Very high94Very high0 Ų048.4 Ų48.40%025%0.253CS..Hα-helixtrans-59.2-45.3173.8-87.20000111.7D520 V521 A527 L528 L536 T539 I543 F609D520-C524 PolarHBondContact O-N 2.88Å; V521-C524 WeakPolarHBondContact O-CB 3.27Å; V521-C524 PolarHBondContact O-N 3.38Å; C524-A527 PolarHBondContact O-N 3.27Å; C524-L528 VanDerWaalsContact O-CB 3.26Å; C524-L528 WeakPolarHBondContact O-CB 3.43Å; C524-L528 PolarHBondContact O-N 2.97Å; C524-L536 HydrophobicContact CB-CD1 4.17Å; C524-T539 HydrophobicContact CB-CG2 4.46Å; C524-T539 VanDerWaalsContact SG-CB 3.57Å; C524-T539 WeakPolarHBondContact SG-CG2 3.43Å; C524-I543 HydrophobicContact CB-CD1 4.47Å; C524-F609 HydrophobicContact CB-CE1 4.22Å; C524-F609 HydrophobicContact CB-CZ 4.1Å
525V93.4Very high94.1Very high22 Ų2250.3 Ų50.313%0.13327%0.265CS..Hα-helixtrans-64.8-40.8178.8175.40000111.5V521 N522 L528 Q529 F609 I610V521-V525 WeakPolarHBondContact O-CG2 3.48Å; V521-V525 PolarHBondContact O-N 3.41Å; N522-V525 PolarHBondContact O-N 3.29Å; V525-L528 WeakPolarHBondContact O-CB 3.45Å; V525-L528 PolarHBondContact O-N 3.44Å; V525-Q529 WeakPolarHBondContact O-CG 3.31Å; V525-Q529 PolarHBondContact O-N 3.33Å; V525-F609 HydrophobicContact CG2-CE1 4.4Å; V525-I610 HydrophobicContact CG1-CD1 4.33Å; V525-I610 HydrophobicContact CG1-CG1 4.22Å; V525-I610 HydrophobicContact CG2-CG1 4.04Å
526I94.5Very high94.3Very high86 Ų8647.4 Ų47.444%0.44125%0.25SC..Hα-helixtrans-64.8-48.8176-66.8165.4000110.8N522 K523 L528 Q529 E530N522-I526 WeakPolarHBondContact O-CG1 3.48Å; N522-I526 PolarHBondContact O-N 3.41Å; K523-I526 PolarHBondContact O-N 3.07Å; I526-L528 PolarHBondContact O-N 3.21Å; I526-Q529 PolarHBondContact O-N 2.75Å; I526-Q529 VanDerWaalsContact O-N 3.09Å; I526-E530 HydrophobicContact CG2-CG 4.35Å; I526-E530 WeakPolarHBondContact O-CG 3.34Å; I526-E530 PolarHBondContact O-N 3.35Å
527A94.9Very high94.3Very high3 Ų351.3 Ų51.33%0.02527%0.271CS..Hα-helixtrans-59.5-38.2179.100000111.9K523 C524 E530 G531 D532 T535 L536K523-A527 WeakPolarHBondContact O-CB 3.39Å; K523-A527 PolarHBondContact O-N 3.12Å; C524-A527 PolarHBondContact O-N 3.27Å; A527-E530 PolarHBondContact O-N 3.46Å; A527-G531 PolarHBondContact O-N 2.83Å; A527-D532 PolarHBondContact O-N 2.91Å; A527-T535 HydrophobicContact CB-CG2 3.93Å; A527-L536 HydrophobicContact CB-CB 4.15Å
528L92.8Very high94.2Very high6 Ų659.3 Ų59.33%0.03130%0.301CS..Hα-helixtrans-61.9-46173.9-176.370.1000112.3C524 V525 I526 E530 G531 L536 A592 L596 F604 E606 F609C524-L528 VanDerWaalsContact O-CB 3.26Å; C524-L528 WeakPolarHBondContact O-CB 3.43Å; C524-L528 PolarHBondContact O-N 2.97Å; V525-L528 WeakPolarHBondContact O-CB 3.45Å; V525-L528 PolarHBondContact O-N 3.44Å; I526-L528 PolarHBondContact O-N 3.21Å; L528-E530 VanDerWaalsContact C-N 3.33Å; L528-E530 PolarHBondContact O-N 3.5Å; L528-G531 PolarHBondContact O-N 3.5Å; L528-L536 HydrophobicContact CD1-CD2 4.01Å; L528-A592 HydrophobicContact CD1-CB 3.69Å; L528-L596 HydrophobicContact CD1-CD1 4.11Å; L528-F604 HydrophobicContact CD1-CE1 4.33Å; L528-F604 HydrophobicContact CD1-CE2 3.62Å; L528-F604 HydrophobicContact CD1-CZ 3.43Å; L528-F604 VanDerWaalsContact CD1-CZ 3.43Å; L528-F604 HydrophobicContact CD2-CE2 3.86Å; L528-F604 HydrophobicContact CD2-CZ 4.16Å; L528-F604 HydrophobicContact CG-CE2 3.91Å; L528-F604 HydrophobicContact CG-CZ 3.71Å; L528-E606 HydrophobicContact CD2-CG 3.98Å; L528-F609 HydrophobicContact CD2-CB 4.12Å; L528-F609 HydrophobicContact CD2-CD1 3.34Å; L528-F609 HydrophobicContact CD2-CD2 4.39Å; L528-F609 HydrophobicContact CD2-CE1 3.8Å; L528-F609 HydrophobicContact CD2-CG 3.68Å; L528-F609 HydrophobicContact CD2-CZ 4.49Å
529Q91.2Very high94.3Very high124 Ų12457.1 Ų57.158%0.57929%0.29SS*.Hα-helixtrans-67.4-32.9178.9-73.5175.3-8.800112.9V525 I526 G531 E606V525-Q529 WeakPolarHBondContact O-CG 3.31Å; V525-Q529 PolarHBondContact O-N 3.33Å; I526-Q529 PolarHBondContact O-N 2.75Å; I526-Q529 VanDerWaalsContact O-N 3.09Å; Q529-G531 VanDerWaalsContact C-N 3.34Å; Q529-E606 VanDerWaalsContact CG-OE1 3.23Å; Q529-E606 WeakPolarHBondContact CG-OE1 3.32Å; Q529-E606 PolarHBondContact NE2-OE1 3.19Å
530E93.2Very high94.4Very high147 Ų14754.6 Ų54.669%0.68728%0.278SS*.Hα-helixtrans-82.8-11.8176.4-67.4-178.1166.300113I526 A527 L528 D532I526-E530 HydrophobicContact CG2-CG 4.35Å; I526-E530 WeakPolarHBondContact O-CG 3.34Å; I526-E530 PolarHBondContact O-N 3.35Å; A527-E530 PolarHBondContact O-N 3.46Å; L528-E530 VanDerWaalsContact C-N 3.33Å; L528-E530 PolarHBondContact O-N 3.5Å; E530-D532 VanDerWaalsContact C-N 3.3Å
531G90.6Very high94.3Very high35 Ų3555 Ų5536%0.36128%0.284SS..THydrogen-bonded Turntrans71.821.2-176.300000114A527 L528 Q529 V533A527-G531 PolarHBondContact O-N 2.83Å; L528-G531 PolarHBondContact O-N 3.5Å; Q529-G531 VanDerWaalsContact C-N 3.34Å; G531-V533 PolarHBondContact O-N 2.96Å
532D94.7Very high94.3Very high59 Ų5955.4 Ų55.432%0.31629%0.288SS..  trans-83.692.5178.2-175.5-7.8000110.8A527 E530 D534 T535 L536A527-D532 PolarHBondContact O-N 2.91Å; E530-D532 VanDerWaalsContact C-N 3.3Å; D532-D534 PolarHBondContact O-N 3.34Å; D532-D534 PolarHBondContact OD1-N 3.49Å; D532-T535 VanDerWaalsContact CG-CB 3.45Å; D532-T535 VanDerWaalsContact CG-OG1 3.24Å; D532-T535 PolarHBondContact OD1-N 3.07Å; D532-T535 VanDerWaalsContact OD1-N 3.09Å; D532-T535 PolarHBondContact OD1-OG1 2.95Å; D532-T535 WeakPolarHBondContact OD2-CB 3.28Å; D532-T535 PolarHBondContact OD2-OG1 2.8Å; D532-L536 VanDerWaalsContact O-CB 3.31Å; D532-L536 WeakPolarHBondContact O-CB 3.5Å; D532-L536 PolarHBondContact O-N 2.8Å
533V94Very high94.4Very high33 Ų3351.3 Ų51.320%0.227%0.266CS..Hα-helixtrans-63.8-39.5-177.7179.50000112.5G531 L536 D537 I593 L596G531-V533 PolarHBondContact O-N 2.96Å; V533-L536 PolarHBondContact O-N 3.49Å; V533-D537 PolarHBondContact O-N 2.85Å; V533-I593 HydrophobicContact CG1-CB 4.48Å; V533-I593 HydrophobicContact CG1-CG1 4.3Å; V533-I593 HydrophobicContact CG1-CG2 3.84Å; V533-L596 HydrophobicContact CG2-CB 3.62Å; V533-L596 HydrophobicContact CG2-CD1 4.23Å
534D94.7Very high94.4Very high124 Ų12451.5 Ų51.566%0.66326%0.264SS*.Hα-helixtrans-69.3-41.1-176.3-72.4-29.9000111.1D532 R538D532-D534 PolarHBondContact O-N 3.34Å; D532-D534 PolarHBondContact OD1-N 3.49Å; D534-R538 WeakPolarHBondContact O-CB 3.47Å; D534-R538 PolarHBondContact O-N 3.25Å
535T95.9Very high94.4Very high50 Ų5052.5 Ų52.531%0.30727%0.274SS..Hα-helixtrans-69.7-38.2175-62.20000111.2A527 D532 T539A527-T535 HydrophobicContact CB-CG2 3.93Å; D532-T535 VanDerWaalsContact CG-CB 3.45Å; D532-T535 VanDerWaalsContact CG-OG1 3.24Å; D532-T535 PolarHBondContact OD1-N 3.07Å; D532-T535 VanDerWaalsContact OD1-N 3.09Å; D532-T535 PolarHBondContact OD1-OG1 2.95Å; D532-T535 WeakPolarHBondContact OD2-CB 3.28Å; D532-T535 PolarHBondContact OD2-OG1 2.8Å; T535-T539 VanDerWaalsContact O-CB 3.26Å; T535-T539 WeakPolarHBondContact O-CB 3.44Å; T535-T539 PolarHBondContact O-N 2.65Å; T535-T539 PolarHBondContact O-OG1 3.32Å
536L96.2Very high94.6Very high0 Ų051.9 Ų51.90%027%0.27CS..Hα-helixtrans-60.2-51.2176177.560.6000111.7C524 A527 L528 D532 V533 T539 A540 A592 I593 L596 F609C524-L536 HydrophobicContact CB-CD1 4.17Å; A527-L536 HydrophobicContact CB-CB 4.15Å; L528-L536 HydrophobicContact CD1-CD2 4.01Å; D532-L536 VanDerWaalsContact O-CB 3.31Å; D532-L536 WeakPolarHBondContact O-CB 3.5Å; D532-L536 PolarHBondContact O-N 2.8Å; V533-L536 PolarHBondContact O-N 3.49Å; L536-T539 PolarHBondContact O-N 3.1Å; L536-A540 VanDerWaalsContact O-CB 3.29Å; L536-A540 WeakPolarHBondContact O-CB 3.5Å; L536-A540 PolarHBondContact O-N 3.18Å; L536-A592 HydrophobicContact CD2-CB 4.17Å; L536-I593 HydrophobicContact CD2-CG1 3.94Å; L536-I593 HydrophobicContact CG-CG1 4.32Å; L536-L596 HydrophobicContact CD2-CD1 4.24Å; L536-F609 HydrophobicContact CD1-CE2 4.29Å; L536-F609 HydrophobicContact CD1-CZ 3.8Å
537D94.6Very high94.7Very high82 Ų8247.8 Ų47.844%0.43925%0.249SC..Hα-helixtrans-63-46.2-179.4-176.149.7000111.8V533 T539 A540 G541 R544 I593V533-D537 PolarHBondContact O-N 2.85Å; D537-T539 PolarHBondContact O-N 3.46Å; D537-A540 PolarHBondContact O-N 2.93Å; D537-G541 PolarHBondContact O-N 3.19Å; D537-R544 IonicContact OD1-NH2 3.08Å; D537-I593 HydrophobicContact CB-CD1 3.81Å
538R93.4Very high94.7Very high169 Ų16950.3 Ų50.364%0.63827%0.269SS*.Hα-helixtrans-60.2-45.4177.6-177.1-178.1-74.5109-1.2111.8D534 G541 A542D534-R538 WeakPolarHBondContact O-CB 3.47Å; D534-R538 PolarHBondContact O-N 3.25Å; R538-G541 PolarHBondContact O-N 3.12Å; R538-A542 PolarHBondContact O-N 3.1Å
539T95.4Very high94.9Very high14 Ų1451.4 Ų51.49%0.08627%0.273CS..Hα-helixtrans-69.9-38.7-178.5-51.90000111.3D520 K523 C524 T535 L536 D537 G541 A542 I543D520-T539 HydrophobicContact CB-CG2 3.93Å; D520-T539 WeakPolarHBondContact O-CG2 3.39Å; K523-T539 HydrophobicContact CB-CG2 3.81Å; C524-T539 HydrophobicContact CB-CG2 4.46Å; C524-T539 VanDerWaalsContact SG-CB 3.57Å; C524-T539 WeakPolarHBondContact SG-CG2 3.43Å; T535-T539 VanDerWaalsContact O-CB 3.26Å; T535-T539 WeakPolarHBondContact O-CB 3.44Å; T535-T539 PolarHBondContact O-N 2.65Å; T535-T539 PolarHBondContact O-OG1 3.32Å; L536-T539 PolarHBondContact O-N 3.1Å; D537-T539 PolarHBondContact O-N 3.46Å; T539-G541 VanDerWaalsContact C-N 3.32Å; T539-G541 PolarHBondContact O-N 2.78Å; T539-A542 WeakPolarHBondContact O-CB 3.34Å; T539-A542 PolarHBondContact O-N 3.13Å; T539-A542 VanDerWaalsContact O-N 3.17Å; T539-I543 WeakPolarHBondContact O-CG1 3.31Å; T539-I543 PolarHBondContact O-N 3.25Å
540A96.1Very high95.1Very high0 Ų045.5 Ų45.50%025%0.245CC..Hα-helixtrans-64.8-36172.800000112.2L536 D537 I543 R544 F585 V589L536-A540 VanDerWaalsContact O-CB 3.29Å; L536-A540 WeakPolarHBondContact O-CB 3.5Å; L536-A540 PolarHBondContact O-N 3.18Å; D537-A540 PolarHBondContact O-N 2.93Å; A540-I543 PolarHBondContact O-N 3.04Å; A540-R544 WeakPolarHBondContact O-CG 3.41Å; A540-R544 PolarHBondContact O-N 2.89Å; A540-R544 PolarHBondContact O-NE 2.88Å; A540-F585 HydrophobicContact CB-CE1 4.13Å; A540-F585 HydrophobicContact CB-CZ 4.03Å; A540-V589 HydrophobicContact CB-CB 4.33Å; A540-V589 HydrophobicContact CB-CG1 3.64Å; A540-V589 HydrophobicContact CB-CG2 3.72Å
541G94.5Very high95.3Very high15 Ų1539.8 Ų39.816%0.15522%0.219CC..Hα-helixtrans-55.5-49168.100000112.2D537 R538 T539 I543 R544 G545D537-G541 PolarHBondContact O-N 3.19Å; R538-G541 PolarHBondContact O-N 3.12Å; T539-G541 VanDerWaalsContact C-N 3.32Å; T539-G541 PolarHBondContact O-N 2.78Å; G541-I543 PolarHBondContact O-N 3.36Å; G541-R544 PolarHBondContact O-N 2.92Å; G541-G545 PolarHBondContact O-N 3.32Å
542A95Very high95.5Very high14 Ų1442.8 Ų42.812%0.11622%0.224CC..Hα-helixtrans-61.1-44.7177.700000112.7L393 R538 T539 R544 G545 R546L393-A542 HydrophobicContact CD2-CB 3.92Å; R538-A542 PolarHBondContact O-N 3.1Å; T539-A542 WeakPolarHBondContact O-CB 3.34Å; T539-A542 PolarHBondContact O-N 3.13Å; T539-A542 VanDerWaalsContact O-N 3.17Å; A542-R544 PolarHBondContact O-N 3.38Å; A542-G545 PolarHBondContact O-N 2.92Å; A542-R546 WeakPolarHBondContact O-CG 3.33Å; A542-R546 PolarHBondContact O-N 3.35Å
543I96.8Very high95.5Very high0 Ų040.6 Ų40.60%021%0.212CC..Hα-helixtrans-58.2-47.9175.3-67.8169.7000110.8D520 V521 C524 T539 A540 G541 G545 R546 A547 M582 F585 V616D520-I543 HydrophobicContact CB-CD1 4.1Å; D520-I543 HydrophobicContact CB-CG1 3.57Å; V521-I543 HydrophobicContact CG2-CD1 3.94Å; C524-I543 HydrophobicContact CB-CD1 4.47Å; T539-I543 WeakPolarHBondContact O-CG1 3.31Å; T539-I543 PolarHBondContact O-N 3.25Å; A540-I543 PolarHBondContact O-N 3.04Å; G541-I543 PolarHBondContact O-N 3.36Å; I543-G545 PolarHBondContact O-N 3.34Å; I543-R546 PolarHBondContact O-N 3.5Å; I543-A547 WeakPolarHBondContact O-CB 3.4Å; I543-A547 PolarHBondContact O-N 3.48Å; I543-M582 HydrophobicContact CG2-CE 4.49Å; I543-F585 HydrophobicContact CB-CE1 4.03Å; I543-F585 HydrophobicContact CB-CZ 4.25Å; I543-F585 HydrophobicContact CD1-CE1 4.34Å; I543-F585 HydrophobicContact CD1-CE2 4.35Å; I543-F585 HydrophobicContact CD1-CZ 3.68Å; I543-F585 HydrophobicContact CG2-CD1 4.28Å; I543-F585 HydrophobicContact CG2-CE1 3.75Å; I543-F585 HydrophobicContact CG2-CZ 4.08Å; I543-V616 HydrophobicContact CG2-CB 4.46Å; I543-V616 HydrophobicContact CG2-CG1 3.68Å
544R95.9Very high95.5Very high99 Ų9939 Ų3937%0.37420%0.202SC..Hα-helixtrans-59-46.1177.3-73.7-178.1-68.2-175.7-2.7111.7D537 A540 G541 A542 A548 M582 F585D537-R544 IonicContact OD1-NH2 3.08Å; A540-R544 WeakPolarHBondContact O-CG 3.41Å; A540-R544 PolarHBondContact O-N 2.89Å; A540-R544 PolarHBondContact O-NE 2.88Å; G541-R544 PolarHBondContact O-N 2.92Å; A542-R544 PolarHBondContact O-N 3.38Å; R544-A548 WeakPolarHBondContact O-CB 3.41Å; R544-A548 PolarHBondContact O-N 3.01Å; R544-M582 HydrophobicContact CB-CE 4.15Å; R544-M582 HydrophobicContact CG-CE 3.61Å; R544-F585 HydrophobicContact CG-CE1 4.46Å
545G95Very high95.5Very high20 Ų2036 Ų3621%0.20619%0.186CC..Hα-helixtrans-61.6-44.5177.700000112.7G541 A542 I543 A548 R549G541-G545 PolarHBondContact O-N 3.32Å; A542-G545 PolarHBondContact O-N 2.92Å; I543-G545 PolarHBondContact O-N 3.34Å; G545-A548 PolarHBondContact O-N 3.36Å; G545-R549 PolarHBondContact O-N 2.92Å
546R96.3Very high95.4Very high10 Ų1035.7 Ų35.74%0.03819%0.189CC..Hα-helixtrans-69.2-43.2-178.2-71.6-169.8-152.9-88.14.8111.1S389 D390 L393 H516 I517 D520 A542 I543 A548 R549 V550S389-R546 VanDerWaalsContact C-NH1 3.3Å; S389-R546 PolarHBondContact O-NH1 3.43Å; S389-R546 VanDerWaalsContact O-NH1 3.1Å; S389-R546 PolarHBondContact OG-NH1 3.46Å; D390-R546 IonicContact OD1-CZ 3.45Å; D390-R546 VanDerWaalsContact OD1-CZ 3.26Å; D390-R546 IonicContact OD1-NH1 3.1Å; D390-R546 PolarHBondContact OD1-NH1 3.3Å; D390-R546 IonicContact OD1-NH2 2.85Å; D390-R546 PolarHBondContact OD1-NH2 3.19Å; L393-R546 HydrophobicContact CD1-CB 4.35Å; L393-R546 HydrophobicContact CD1-CG 3.68Å; L393-R546 VanDerWaalsContact CD1-N 3.3Å; L393-R546 HydrophobicContact CD2-CG 4.11Å; H516-R546 PolarHBondContact ND1-NH1 2.68Å; I517-R546 HydrophobicContact CD1-CB 3.93Å; I517-R546 HydrophobicContact CG1-CB 3.89Å; D520-R546 IonicContact OD2-CZ 3.79Å; D520-R546 IonicContact OD2-NE 3.7Å; D520-R546 PolarHBondContact OD2-NE 3.48Å; D520-R546 IonicContact OD2-NH2 2.92Å; D520-R546 PolarHBondContact OD2-NH2 3.46Å; A542-R546 WeakPolarHBondContact O-CG 3.33Å; A542-R546 PolarHBondContact O-N 3.35Å; I543-R546 PolarHBondContact O-N 3.5Å; R546-A548 VanDerWaalsContact C-N 3.31Å; R546-A548 PolarHBondContact O-N 3.43Å; R546-R549 PolarHBondContact O-N 3.33Å; R546-V550 WeakPolarHBondContact O-CG2 3.31Å; R546-V550 PolarHBondContact O-N 3.3Å
547A97.4Very high95.1Very high0 Ų037.3 Ų37.30%020%0.196CC..Hα-helixtrans-58.9-43.7174.100000111.3I543 R549 V550 I551 L577 M582I543-A547 WeakPolarHBondContact O-CB 3.4Å; I543-A547 PolarHBondContact O-N 3.48Å; A547-R549 PolarHBondContact O-N 3.2Å; A547-V550 PolarHBondContact O-N 3.2Å; A547-I551 WeakPolarHBondContact O-CD1 3.21Å; A547-I551 VanDerWaalsContact O-CG1 3.31Å; A547-I551 WeakPolarHBondContact O-CG1 3.26Å; A547-I551 PolarHBondContact O-N 3.43Å; A547-L577 HydrophobicContact CB-CD2 4.43Å; A547-M582 HydrophobicContact CB-CE 4.11Å; A547-M582 HydrophobicContact CB-CG 4.07Å; A547-M582 HydrophobicContact CB-SD 3.52Å; A547-M582 VanDerWaalsContact CB-SD 3.52Å
548A95.9Very high94.9Very high56 Ų5634 Ų3446%0.46318%0.178SC..Hα-helixtrans-63-40.4175.700000112.8R544 G545 R546 I551 H552R544-A548 WeakPolarHBondContact O-CB 3.41Å; R544-A548 PolarHBondContact O-N 3.01Å; G545-A548 PolarHBondContact O-N 3.36Å; R546-A548 VanDerWaalsContact C-N 3.31Å; R546-A548 PolarHBondContact O-N 3.43Å; A548-I551 PolarHBondContact O-N 3.18Å; A548-H552 WeakPolarHBondContact O-CB 3.47Å; A548-H552 PolarHBondContact O-N 2.97Å
549R95.2Very high94.6Very high28 Ų2833.8 Ų33.811%0.10619%0.185CC..Hα-helixtrans-62.6-44.7173.3-78.2-163.768.992.87.8112.2F392 D501 F509 G545 R546 A547 I551 H552 I553F392-R549 VanDerWaalsContact CB-NH1 3.28Å; F392-R549 PolarHBondContact O-NH1 2.89Å; D501-R549 IonicContact OD1-NH2 3.87Å; D501-R549 PolarHBondContact OD1-NH2 3.46Å; D501-R549 IonicContact OD2-NH2 3.74Å; D501-R549 PolarHBondContact OD2-NH2 2.88Å; D501-R549 VanDerWaalsContact OD2-NH2 3.08Å; F509-R549 HydrophobicContact CZ-CB 4.03Å; G545-R549 PolarHBondContact O-N 2.92Å; R546-R549 PolarHBondContact O-N 3.33Å; A547-R549 PolarHBondContact O-N 3.2Å; R549-I551 VanDerWaalsContact C-N 3.34Å; R549-I551 PolarHBondContact O-N 3.36Å; R549-H552 PolarHBondContact O-N 2.95Å; R549-I553 WeakPolarHBondContact O-CB 3.44Å; R549-I553 WeakPolarHBondContact O-CG1 3.5Å; R549-I553 PolarHBondContact O-N 3.23Å
550V97Very high94.1Very high0 Ų039.1 Ų39.10%021%0.212CC..Hα-helixtrans-55.9-50.3174.8169.70000110.5F509 L510 R546 A547 H552 I554 V620 I623F509-V550 HydrophobicContact CE1-CB 4.37Å; F509-V550 HydrophobicContact CE1-CG2 3.71Å; F509-V550 HydrophobicContact CZ-CG2 4.24Å; L510-V550 HydrophobicContact CD2-CG1 3.81Å; R546-V550 WeakPolarHBondContact O-CG2 3.31Å; R546-V550 PolarHBondContact O-N 3.3Å; A547-V550 PolarHBondContact O-N 3.2Å; V550-H552 VanDerWaalsContact C-N 3.33Å; V550-H552 PolarHBondContact O-N 3.36Å; V550-I554 HydrophobicContact CG1-CG1 4.42Å; V550-I554 WeakPolarHBondContact O-CB 3.24Å; V550-I554 VanDerWaalsContact O-CG1 3.23Å; V550-I554 WeakPolarHBondContact O-CG1 3.43Å; V550-I554 PolarHBondContact O-N 3.16Å; V550-V620 HydrophobicContact CG2-CG1 4.43Å; V550-I623 HydrophobicContact CG1-CD1 4.1Å; V550-I623 HydrophobicContact CG1-CG2 4.29Å
551I96.9Very high93.4Very high27 Ų2742.5 Ų42.514%0.13823%0.226CC..Hα-helixtrans-58.2-45.7177.6-70155.9000111.3A547 A548 R549 N555 T574 L577A547-I551 WeakPolarHBondContact O-CD1 3.21Å; A547-I551 VanDerWaalsContact O-CG1 3.31Å; A547-I551 WeakPolarHBondContact O-CG1 3.26Å; A547-I551 PolarHBondContact O-N 3.43Å; A548-I551 PolarHBondContact O-N 3.18Å; R549-I551 VanDerWaalsContact C-N 3.34Å; R549-I551 PolarHBondContact O-N 3.36Å; I551-N555 WeakPolarHBondContact O-CB 3.38Å; I551-N555 PolarHBondContact O-N 3.5Å; I551-N555 PolarHBondContact O-ND2 3.42Å; I551-T574 HydrophobicContact CB-CG2 3.91Å; I551-T574 HydrophobicContact CG1-CG2 3.78Å; I551-T574 HydrophobicContact CG2-CG2 3.56Å; I551-L577 HydrophobicContact CD1-CD2 4.27Å; I551-L577 HydrophobicContact CD1-CG 4.26Å; I551-L577 HydrophobicContact CG1-CD2 4.2Å
552H94.9Very high92.3Very high98 Ų9849.1 Ų49.145%0.45425%0.253SS..Hα-helixtrans-63.1-52.1-178.617858.3000112.6A548 R549 V550 I554 N555 A556A548-H552 WeakPolarHBondContact O-CB 3.47Å; A548-H552 PolarHBondContact O-N 2.97Å; R549-H552 PolarHBondContact O-N 2.95Å; V550-H552 VanDerWaalsContact C-N 3.33Å; V550-H552 PolarHBondContact O-N 3.36Å; H552-I554 VanDerWaalsContact C-N 3.33Å; H552-I554 PolarHBondContact O-N 3.07Å; H552-N555 PolarHBondContact O-N 3.46Å; H552-A556 PolarHBondContact O-N 3.05Å
553I94.7Very high91.6Very high14 Ų1453.4 Ų53.47%0.07229%0.288CS..Hα-helixtrans-62.3-42.6-178.5-72.2163.5000110.5V506 F509 R549 A556 E557V506-I553 HydrophobicContact CG2-CG2 3.98Å; F509-I553 HydrophobicContact CD1-CD1 3.77Å; F509-I553 HydrophobicContact CD1-CG2 4.31Å; F509-I553 HydrophobicContact CD2-CD1 3.92Å; F509-I553 HydrophobicContact CE1-CB 4.46Å; F509-I553 HydrophobicContact CE1-CD1 3.46Å; F509-I553 VanDerWaalsContact CE1-CD1 3.46Å; F509-I553 HydrophobicContact CE2-CD1 3.6Å; F509-I553 HydrophobicContact CG-CD1 4.01Å; F509-I553 HydrophobicContact CZ-CD1 3.38Å; R549-I553 WeakPolarHBondContact O-CB 3.44Å; R549-I553 WeakPolarHBondContact O-CG1 3.5Å; R549-I553 PolarHBondContact O-N 3.23Å; I553-A556 PolarHBondContact O-N 3.13Å; I553-E557 VanDerWaalsContact O-CB 3.28Å; I553-E557 WeakPolarHBondContact O-CB 3.39Å; I553-E557 PolarHBondContact O-N 2.88Å
554I94.8Very high90.6Very high0 Ų054.8 Ų54.80%030%0.302CS..Hα-helixtrans-68-41.8179.2-65.6-51.5000112V506 L510 V550 H552 A556 E557 M558 V570 I623 V627V506-I554 HydrophobicContact CG1-CD1 3.35Å; L510-I554 HydrophobicContact CD1-CD1 3.81Å; L510-I554 HydrophobicContact CD2-CD1 4.03Å; L510-I554 HydrophobicContact CD2-CG1 4.13Å; L510-I554 HydrophobicContact CG-CD1 4.14Å; V550-I554 HydrophobicContact CG1-CG1 4.42Å; V550-I554 WeakPolarHBondContact O-CB 3.24Å; V550-I554 VanDerWaalsContact O-CG1 3.23Å; V550-I554 WeakPolarHBondContact O-CG1 3.43Å; V550-I554 PolarHBondContact O-N 3.16Å; H552-I554 VanDerWaalsContact C-N 3.33Å; H552-I554 PolarHBondContact O-N 3.07Å; I554-A556 VanDerWaalsContact C-N 3.34Å; I554-A556 PolarHBondContact O-N 3.08Å; I554-E557 PolarHBondContact O-N 3.03Å; I554-M558 HydrophobicContact CG2-CG 4.23Å; I554-M558 WeakPolarHBondContact O-CB 3.49Å; I554-M558 WeakPolarHBondContact O-CG 3.32Å; I554-M558 PolarHBondContact O-N 2.97Å; I554-V570 HydrophobicContact CG2-CG1 3.27Å; I554-I623 HydrophobicContact CG1-CG2 3.82Å; I554-I623 HydrophobicContact CG2-CG2 4.28Å; I554-V627 HydrophobicContact CD1-CG2 3.88Å; I554-V627 HydrophobicContact CG2-CG2 4.47Å
555N94.5Very high89.7Confident60 Ų6054.3 Ų54.332%0.32131%0.31SS..Hα-helixtrans-61.8-44176.4-74.9-24.2000111.6I551 H552 M558 E559 L571I551-N555 WeakPolarHBondContact O-CB 3.38Å; I551-N555 PolarHBondContact O-N 3.5Å; I551-N555 PolarHBondContact O-ND2 3.42Å; H552-N555 PolarHBondContact O-N 3.46Å; N555-M558 PolarHBondContact O-N 3.38Å; N555-E559 PolarHBondContact O-N 3.35Å; N555-L571 VanDerWaalsContact OD1-CD2 3.26Å; N555-L571 WeakPolarHBondContact OD1-CD2 3.43Å
556A92.6Very high88.9Confident44 Ų4456.8 Ų56.836%0.36431%0.314SS..Hα-helixtrans-63.3-43.9176.300000111.8H552 I553 I554 M558 E559H552-A556 PolarHBondContact O-N 3.05Å; I553-A556 PolarHBondContact O-N 3.13Å; I554-A556 VanDerWaalsContact C-N 3.34Å; I554-A556 PolarHBondContact O-N 3.08Å; A556-M558 VanDerWaalsContact C-N 3.32Å; A556-M558 PolarHBondContact O-N 3.29Å; A556-E559 WeakPolarHBondContact O-CB 3.44Å; A556-E559 PolarHBondContact O-N 3.17Å; A556-E559 VanDerWaalsContact O-N 3.13Å
557E89.9Confident88.2Confident33 Ų3356.9 Ų56.915%0.15432%0.315CS..Hα-helixtrans-62.2-39.1176.5175.164.1178.300111.7V506 I553 I554 E559 N560 Y561 R631V506-E557 HydrophobicContact CG1-CG 4.49Å; V506-E557 HydrophobicContact CG2-CB 4.1Å; V506-E557 HydrophobicContact CG2-CG 3.88Å; I553-E557 VanDerWaalsContact O-CB 3.28Å; I553-E557 WeakPolarHBondContact O-CB 3.39Å; I553-E557 PolarHBondContact O-N 2.88Å; I554-E557 PolarHBondContact O-N 3.03Å; E557-E559 PolarHBondContact O-N 3.46Å; E557-N560 VanDerWaalsContact O-CB 3.31Å; E557-N560 WeakPolarHBondContact O-CB 3.49Å; E557-N560 PolarHBondContact O-N 3.37Å; E557-N560 PolarHBondContact OE2-ND2 2.87Å; E557-Y561 HydrophobicContact CG-CE2 3.83Å; E557-Y561 WeakPolarHBondContact O-CD2 3.41Å; E557-Y561 VanDerWaalsContact O-CE2 3.25Å; E557-Y561 WeakPolarHBondContact O-CE2 3.5Å; E557-Y561 WeakPolarHBondContact OE1-CE2 3.13Å; E557-Y561 PolarHBondContact OE1-OH 2.93Å; E557-R631 IonicContact OE1-NH1 2.81Å; E557-R631 IonicContact OE1-NH2 3.58Å; E557-R631 PolarHBondContact OE1-NH2 3.31Å
558M90.2Very high87.7Confident12 Ų1261.6 Ų61.66%0.05934%0.338CS..Hα-helixtrans-65.8-19.4177.3-69-56.993.400113.4I554 N555 A556 N560 Y561 T567 V570 L571 I630I554-M558 HydrophobicContact CG2-CG 4.23Å; I554-M558 WeakPolarHBondContact O-CB 3.49Å; I554-M558 WeakPolarHBondContact O-CG 3.32Å; I554-M558 PolarHBondContact O-N 2.97Å; N555-M558 PolarHBondContact O-N 3.38Å; A556-M558 VanDerWaalsContact C-N 3.32Å; A556-M558 PolarHBondContact O-N 3.29Å; M558-N560 PolarHBondContact O-N 3Å; M558-Y561 HydrophobicContact CE-CD2 3.78Å; M558-Y561 HydrophobicContact CE-CE2 3.76Å; M558-Y561 PolarHBondContact O-N 2.91Å; M558-Y561 HydrophobicContact SD-CD2 4.5Å; M558-T567 HydrophobicContact SD-CG2 3.89Å; M558-V570 HydrophobicContact CE-CG1 4.42Å; M558-V570 HydrophobicContact CG-CB 4.37Å; M558-V570 HydrophobicContact CG-CG1 3.91Å; M558-V570 HydrophobicContact SD-CB 3.83Å; M558-V570 HydrophobicContact SD-CG1 3.75Å; M558-V570 HydrophobicContact SD-CG2 4.14Å; M558-L571 HydrophobicContact CB-CD2 4.14Å; M558-L571 HydrophobicContact CG-CD2 4.1Å; M558-L571 HydrophobicContact CG-CG 4.37Å; M558-I630 HydrophobicContact CE-CD1 3.9Å; M558-I630 HydrophobicContact SD-CD1 3.82Å
559E88.7Confident87.2Confident166 Ų16662.7 Ų62.778%0.77633%0.332SS*.THydrogen-bonded Turntrans-70.2-19.7172.1-63.8179-179.300112.6N555 A556 E557 Y561N555-E559 PolarHBondContact O-N 3.35Å; A556-E559 WeakPolarHBondContact O-CB 3.44Å; A556-E559 PolarHBondContact O-N 3.17Å; A556-E559 VanDerWaalsContact O-N 3.13Å; E557-E559 PolarHBondContact O-N 3.46Å; E559-Y561 VanDerWaalsContact C-N 3.31Å
560N84.7Confident87Confident125 Ų12561.4 Ų61.467%0.66833%0.327SS*.THydrogen-bonded Turntrans-80-10.7176.1-63-40.3000113.3E557 M558E557-N560 VanDerWaalsContact O-CB 3.31Å; E557-N560 WeakPolarHBondContact O-CB 3.49Å; E557-N560 PolarHBondContact O-N 3.37Å; E557-N560 PolarHBondContact OE2-ND2 2.87Å; M558-N560 PolarHBondContact O-N 3Å
561Y80.4Confident86.8Confident71 Ų7164.9 Ų64.928%0.27835%0.345SS..SBendtrans-107.6152179.9-60.5-94.7000110.9E557 M558 E559 T567 I630 R631E557-Y561 HydrophobicContact CG-CE2 3.83Å; E557-Y561 WeakPolarHBondContact O-CD2 3.41Å; E557-Y561 VanDerWaalsContact O-CE2 3.25Å; E557-Y561 WeakPolarHBondContact O-CE2 3.5Å; E557-Y561 WeakPolarHBondContact OE1-CE2 3.13Å; E557-Y561 PolarHBondContact OE1-OH 2.93Å; M558-Y561 HydrophobicContact CE-CD2 3.78Å; M558-Y561 HydrophobicContact CE-CE2 3.76Å; M558-Y561 PolarHBondContact O-N 2.91Å; M558-Y561 HydrophobicContact SD-CD2 4.5Å; E559-Y561 VanDerWaalsContact C-N 3.31Å; Y561-T567 HydrophobicContact CG-CG2 4.27Å; Y561-I630 HydrophobicContact CD1-CG2 3.96Å; Y561-I630 HydrophobicContact CE1-CG2 3.64Å; Y561-R631 PolarHBondContact OH-NH1 3.06Å
562E72.1Confident86.6Confident155 Ų15568.8 Ų68.872%0.72436%0.363SS*.  trans-67.1142.2168.8-63.6-167.2171.200110.9G564 T567E562-G564 PolarHBondContact O-N 2.9Å; E562-T567 PolarHBondContact O-OG1 2.92Å
563A80.4Confident86.6Confident103 Ų10365 Ų6585%0.85135%0.348SS*.SBendtrans-64.3127.3179.100000110.9
564G75.8Confident86.7Confident29 Ų2964.4 Ų64.430%0.29935%0.346SS..SBendtrans-170.8-177.8-176.700000112.6E562 Y566 T567 E568E562-G564 PolarHBondContact O-N 2.9Å; G564-Y566 PolarHBondContact O-N 3.17Å; G564-Y566 VanDerWaalsContact O-N 3.1Å; G564-T567 PolarHBondContact N-OG1 3.41Å; G564-T567 PolarHBondContact O-N 2.74Å; G564-T567 PolarHBondContact O-OG1 3.2Å; G564-E568 WeakPolarHBondContact O-CB 3.42Å; G564-E568 WeakPolarHBondContact O-CG 3.24Å; G564-E568 PolarHBondContact O-N 3.33Å
565V76.7Confident86.8Confident90 Ų9069.9 Ų69.955%0.54537%0.369SS..Hα-helixtrans-58.1-31.7-172.3-179.20000113K569V565-K569 VanDerWaalsContact O-CG 3.28Å; V565-K569 WeakPolarHBondContact O-CG 3.31Å; V565-K569 PolarHBondContact O-N 3.21Å
566Y77.4Confident86.8Confident72 Ų7270.7 Ų70.728%0.28237%0.373SS..Hα-helixtrans-77.7-46.4179.3-67.1-82.4000112.5G564 E568 K569 V570 M629 K716G564-Y566 PolarHBondContact O-N 3.17Å; G564-Y566 VanDerWaalsContact O-N 3.1Å; Y566-E568 VanDerWaalsContact C-N 3.33Å; Y566-E568 PolarHBondContact O-N 3.34Å; Y566-K569 PolarHBondContact O-N 3.17Å; Y566-V570 PolarHBondContact O-N 3Å; Y566-V570 VanDerWaalsContact O-N 3.13Å; Y566-M629 HydrophobicContact CD1-CB 4.49Å; Y566-K716 HydrophobicContact CE2-CD 4.14Å; Y566-K716 WeakPolarHBondContact OH-CB 3.45Å
567T83.1Confident87.1Confident11 Ų1168.7 Ų68.77%0.06736%0.356CS..Hα-helixtrans-64.5-39.3176.3500000110.9M558 Y561 E562 G564 K569 V570 L571M558-T567 HydrophobicContact SD-CG2 3.89Å; Y561-T567 HydrophobicContact CG-CG2 4.27Å; E562-T567 PolarHBondContact O-OG1 2.92Å; G564-T567 PolarHBondContact N-OG1 3.41Å; G564-T567 PolarHBondContact O-N 2.74Å; G564-T567 PolarHBondContact O-OG1 3.2Å; T567-K569 VanDerWaalsContact C-N 3.34Å; T567-K569 PolarHBondContact O-N 3.33Å; T567-V570 PolarHBondContact O-N 3.17Å; T567-L571 WeakPolarHBondContact O-CB 3.44Å; T567-L571 VanDerWaalsContact O-CG 3.26Å; T567-L571 WeakPolarHBondContact O-CG 3.48Å; T567-L571 PolarHBondContact O-N 3.06Å
568E86.9Confident87.5Confident100 Ų10069.2 Ų69.247%0.46736%0.364SS..Hα-helixtrans-56.8-44.2172.1-76.2-179.9177.600112.5G564 Y566 L571 E572G564-E568 WeakPolarHBondContact O-CB 3.42Å; G564-E568 WeakPolarHBondContact O-CG 3.24Å; G564-E568 PolarHBondContact O-N 3.33Å; Y566-E568 VanDerWaalsContact C-N 3.33Å; Y566-E568 PolarHBondContact O-N 3.34Å; E568-L571 PolarHBondContact O-N 3.1Å; E568-E572 WeakPolarHBondContact O-CB 3.45Å; E568-E572 WeakPolarHBondContact O-CG 3.46Å; E568-E572 PolarHBondContact O-N 3.22Å
569K84.6Confident87.8Confident79 Ų7974.5 Ų74.534%0.34339%0.388SS..Hα-helixtrans-64.8-40.6178.5-80.3177.3172.5-1600113.2V565 Y566 T567 L571 E572 A573 M720V565-K569 VanDerWaalsContact O-CG 3.28Å; V565-K569 WeakPolarHBondContact O-CG 3.31Å; V565-K569 PolarHBondContact O-N 3.21Å; Y566-K569 PolarHBondContact O-N 3.17Å; T567-K569 VanDerWaalsContact C-N 3.34Å; T567-K569 PolarHBondContact O-N 3.33Å; K569-L571 VanDerWaalsContact C-N 3.35Å; K569-E572 PolarHBondContact O-N 3.23Å; K569-A573 PolarHBondContact O-N 3.19Å; K569-M720 PolarHBondContact NZ-SD 3.31Å
570V89.9Confident88.2Confident0 Ų070.6 Ų70.60%038%0.376CS..Hα-helixtrans-62.2-47.4175.3174.80000109.6I554 M558 Y566 T567 E572 A573 T574 A626 V627 I630I554-V570 HydrophobicContact CG2-CG1 3.27Å; M558-V570 HydrophobicContact CE-CG1 4.42Å; M558-V570 HydrophobicContact CG-CB 4.37Å; M558-V570 HydrophobicContact CG-CG1 3.91Å; M558-V570 HydrophobicContact SD-CB 3.83Å; M558-V570 HydrophobicContact SD-CG1 3.75Å; M558-V570 HydrophobicContact SD-CG2 4.14Å; Y566-V570 PolarHBondContact O-N 3Å; Y566-V570 VanDerWaalsContact O-N 3.13Å; T567-V570 PolarHBondContact O-N 3.17Å; V570-E572 VanDerWaalsContact C-N 3.35Å; V570-E572 PolarHBondContact O-N 2.65Å; V570-A573 PolarHBondContact O-N 3.43Å; V570-T574 PolarHBondContact O-N 2.81Å; V570-T574 PolarHBondContact O-OG1 2.91Å; V570-T574 VanDerWaalsContact O-OG1 3.05Å; V570-A626 HydrophobicContact CB-CB 4.47Å; V570-A626 HydrophobicContact CG2-CB 3.76Å; V570-V627 HydrophobicContact CG1-CG2 3.85Å; V570-V627 HydrophobicContact CG2-CG2 4.12Å; V570-I630 HydrophobicContact CG2-CD1 3.68Å
571L93.4Very high88.8Confident73 Ų7365.3 Ų65.338%0.38235%0.348SS..Hα-helixtrans-64.9-35.5178.5-65.9174.1000112.8N555 M558 T567 E568 K569 T574 K575N555-L571 VanDerWaalsContact OD1-CD2 3.26Å; N555-L571 WeakPolarHBondContact OD1-CD2 3.43Å; M558-L571 HydrophobicContact CB-CD2 4.14Å; M558-L571 HydrophobicContact CG-CD2 4.1Å; M558-L571 HydrophobicContact CG-CG 4.37Å; T567-L571 WeakPolarHBondContact O-CB 3.44Å; T567-L571 VanDerWaalsContact O-CG 3.26Å; T567-L571 WeakPolarHBondContact O-CG 3.48Å; T567-L571 PolarHBondContact O-N 3.06Å; E568-L571 PolarHBondContact O-N 3.1Å; K569-L571 VanDerWaalsContact C-N 3.35Å; L571-T574 PolarHBondContact O-N 3.44Å; L571-K575 VanDerWaalsContact O-CB 3.27Å; L571-K575 WeakPolarHBondContact O-CB 3.35Å; L571-K575 PolarHBondContact O-N 2.74Å
572E93.3Very high89.6Confident109 Ų10963 Ų6351%0.50934%0.34SS..Hα-helixtrans-62.4-43.2172.2-79.2180177.500111.7E568 K569 V570 K575 L576E568-E572 WeakPolarHBondContact O-CB 3.45Å; E568-E572 WeakPolarHBondContact O-CG 3.46Å; E568-E572 PolarHBondContact O-N 3.22Å; K569-E572 PolarHBondContact O-N 3.23Å; V570-E572 VanDerWaalsContact C-N 3.35Å; V570-E572 PolarHBondContact O-N 2.65Å; E572-K575 PolarHBondContact O-N 2.67Å; E572-L576 PolarHBondContact O-N 3.26Å
573A93.7Very high90.8Very high18 Ų1858.7 Ų58.715%0.14933%0.326CS..Hα-helixtrans-65.1-44176.200000111.7K569 V570 K575 L576 L577 I623K569-A573 PolarHBondContact O-N 3.19Å; V570-A573 PolarHBondContact O-N 3.43Å; A573-K575 VanDerWaalsContact C-N 3.33Å; A573-K575 PolarHBondContact O-N 2.93Å; A573-L576 PolarHBondContact O-N 3.38Å; A573-L577 PolarHBondContact O-N 3.21Å; A573-I623 HydrophobicContact CB-CG1 3.83Å
574T97Very high91.6Very high3 Ų358.7 Ų58.72%0.01830%0.304CS..Hα-helixtrans-58.2-45.1174.3-59.80000111.6I551 V570 L571 L577 S578I551-T574 HydrophobicContact CB-CG2 3.91Å; I551-T574 HydrophobicContact CG1-CG2 3.78Å; I551-T574 HydrophobicContact CG2-CG2 3.56Å; V570-T574 PolarHBondContact O-N 2.81Å; V570-T574 PolarHBondContact O-OG1 2.91Å; V570-T574 VanDerWaalsContact O-OG1 3.05Å; L571-T574 PolarHBondContact O-N 3.44Å; T574-L577 PolarHBondContact O-N 3.45Å; T574-S578 WeakPolarHBondContact O-CB 3.38Å; T574-S578 PolarHBondContact O-N 3Å; T574-S578 PolarHBondContact O-OG 3.25Å
575K96.7Very high92.6Very high114 Ų11457.3 Ų57.350%0.49629%0.29SS..Hα-helixtrans-63.7-41.2177.8-173.5178.9-179.9178.80112.3L571 E572 A573 S578 E579L571-K575 VanDerWaalsContact O-CB 3.27Å; L571-K575 WeakPolarHBondContact O-CB 3.35Å; L571-K575 PolarHBondContact O-N 2.74Å; E572-K575 PolarHBondContact O-N 2.67Å; A573-K575 VanDerWaalsContact C-N 3.33Å; A573-K575 PolarHBondContact O-N 2.93Å; K575-S578 WeakPolarHBondContact CA-OG 3.44Å; K575-S578 PolarHBondContact O-N 3.11Å; K575-S578 PolarHBondContact O-OG 3.15Å; K575-S578 VanDerWaalsContact O-OG 3.13Å; K575-E579 WeakPolarHBondContact CE-OE1 3.41Å; K575-E579 WeakPolarHBondContact CE-OE2 3.09Å; K575-E579 HydrophobicContact CG-CG 4.1Å; K575-E579 IonicContact NZ-OE2 3.84Å; K575-E579 WeakPolarHBondContact O-CB 3.45Å; K575-E579 PolarHBondContact O-N 2.99Å
576L96.3Very high93.6Very high78 Ų7854 Ų5441%0.40827%0.272SS..Hα-helixtrans-60.8-45.7176.1179.366.6000111.1E572 A573 T580 V581E572-L576 PolarHBondContact O-N 3.26Å; A573-L576 PolarHBondContact O-N 3.38Å; L576-T580 HydrophobicContact CD1-CG2 4.29Å; L576-T580 WeakPolarHBondContact O-CB 3.45Å; L576-T580 PolarHBondContact O-N 3.3Å; L576-T580 VanDerWaalsContact O-N 3.12Å; L576-V581 HydrophobicContact CG-CG2 4.46Å; L576-V581 PolarHBondContact O-N 2.92Å; L576-V581 VanDerWaalsContact O-N 3.11Å
577L97.7Very high94.5Very high1 Ų156.2 Ų56.21%0.00529%0.285CS..Iπ-helixtrans-60-49.9176.2-179.960.8000110.7A547 I551 A573 T574 V581 M582 V616 V620 I623A547-L577 HydrophobicContact CB-CD2 4.43Å; I551-L577 HydrophobicContact CD1-CD2 4.27Å; I551-L577 HydrophobicContact CD1-CG 4.26Å; I551-L577 HydrophobicContact CG1-CD2 4.2Å; A573-L577 PolarHBondContact O-N 3.21Å; T574-L577 PolarHBondContact O-N 3.45Å; L577-V581 HydrophobicContact CD1-CB 4.07Å; L577-V581 HydrophobicContact CD1-CG1 3.93Å; L577-V581 PolarHBondContact O-N 3.1Å; L577-M582 HydrophobicContact CD1-CG 4.09Å; L577-M582 HydrophobicContact CD1-SD 4.19Å; L577-M582 HydrophobicContact CG-CG 4.28Å; L577-M582 WeakPolarHBondContact O-CB 3.35Å; L577-M582 VanDerWaalsContact O-CG 3.3Å; L577-M582 WeakPolarHBondContact O-CG 3.33Å; L577-M582 PolarHBondContact O-N 2.91Å; L577-V616 HydrophobicContact CD1-CG1 4.48Å; L577-V620 HydrophobicContact CD2-CG2 3.8Å; L577-I623 HydrophobicContact CB-CD1 4.05Å; L577-I623 HydrophobicContact CD2-CD1 3.48Å; L577-I623 VanDerWaalsContact CD2-CD1 3.48Å; L577-I623 HydrophobicContact CG-CD1 4.42Å
578S97.5Very high95.1Very high44 Ų4457 Ų5731%0.30829%0.287SS..Iπ-helixtrans-71.6-42.5-173.966.10000114.4T574 K575 P583T574-S578 WeakPolarHBondContact O-CB 3.38Å; T574-S578 PolarHBondContact O-N 3Å; T574-S578 PolarHBondContact O-OG 3.25Å; K575-S578 WeakPolarHBondContact CA-OG 3.44Å; K575-S578 PolarHBondContact O-N 3.11Å; K575-S578 PolarHBondContact O-OG 3.15Å; K575-S578 VanDerWaalsContact O-OG 3.13Å; S578-P583 WeakPolarHBondContact O-CD 3.45Å
579E97.3Very high95.5Very high123 Ų12352.4 Ų52.458%0.57527%0.266SS*.Iπ-helixtrans-97.9-18.7-169.6-64.7-177.1-17600113.6K575K575-E579 WeakPolarHBondContact CE-OE1 3.41Å; K575-E579 WeakPolarHBondContact CE-OE2 3.09Å; K575-E579 HydrophobicContact CG-CG 4.1Å; K575-E579 IonicContact NZ-OE2 3.84Å; K575-E579 WeakPolarHBondContact O-CB 3.45Å; K575-E579 PolarHBondContact O-N 2.99Å
580T96.6Very high96Very high85 Ų8554.1 Ų54.152%0.52128%0.275SS..Iπ-helixtrans-120.1-53.1-176.2-53.80000112.3L576 R584L576-T580 HydrophobicContact CD1-CG2 4.29Å; L576-T580 WeakPolarHBondContact O-CB 3.45Å; L576-T580 PolarHBondContact O-N 3.3Å; L576-T580 VanDerWaalsContact O-N 3.12Å; T580-R584 PolarHBondContact O-N 2.95Å
581V96.9Very high96.2Very high13 Ų1357.3 Ų57.38%0.07930%0.295CS..Iπ-helixtrans-73.1-52-172.7174.60000111.5L576 L577 R584 F585 L615 V616L576-V581 HydrophobicContact CG-CG2 4.46Å; L576-V581 PolarHBondContact O-N 2.92Å; L576-V581 VanDerWaalsContact O-N 3.11Å; L577-V581 HydrophobicContact CD1-CB 4.07Å; L577-V581 HydrophobicContact CD1-CG1 3.93Å; L577-V581 PolarHBondContact O-N 3.1Å; V581-R584 PolarHBondContact O-N 2.73Å; V581-F585 PolarHBondContact O-N 2.92Å; V581-L615 VanDerWaalsContact CG1-C 3.44Å; V581-L615 HydrophobicContact CG1-CB 3.91Å; V581-L615 WeakPolarHBondContact CG1-O 3.41Å; V581-V616 HydrophobicContact CG1-CB 4.31Å; V581-V616 HydrophobicContact CG1-CG2 3.89Å
582M97.8Very high96.2Very high23 Ų2353.9 Ų53.911%0.11328%0.277CS..Hα-helixtrans-64.4-40.8-176.9-70.9-52.2-52.500114.1I543 R544 A547 L577 R584 F585 A586 V616I543-M582 HydrophobicContact CG2-CE 4.49Å; R544-M582 HydrophobicContact CB-CE 4.15Å; R544-M582 HydrophobicContact CG-CE 3.61Å; A547-M582 HydrophobicContact CB-CE 4.11Å; A547-M582 HydrophobicContact CB-CG 4.07Å; A547-M582 HydrophobicContact CB-SD 3.52Å; A547-M582 VanDerWaalsContact CB-SD 3.52Å; L577-M582 HydrophobicContact CD1-CG 4.09Å; L577-M582 HydrophobicContact CD1-SD 4.19Å; L577-M582 HydrophobicContact CG-CG 4.28Å; L577-M582 WeakPolarHBondContact O-CB 3.35Å; L577-M582 VanDerWaalsContact O-CG 3.3Å; L577-M582 WeakPolarHBondContact O-CG 3.33Å; L577-M582 PolarHBondContact O-N 2.91Å; M582-R584 PolarHBondContact O-N 3.16Å; M582-F585 HydrophobicContact CE-CD1 3.91Å; M582-F585 PolarHBondContact O-N 3.31Å; M582-A586 WeakPolarHBondContact O-CB 3.25Å; M582-A586 PolarHBondContact O-N 2.91Å; M582-V616 HydrophobicContact SD-CB 4.46Å; M582-V616 HydrophobicContact SD-CG1 3.71Å; M582-V616 HydrophobicContact SD-CG2 3.94Å
583P97.9Very high96.2Very high65 Ų6550.3 Ų50.342%0.42226%0.261SS..Hα-helixtrans-61.3-41.7173.9-27.637.9000113S578 A586 E587S578-P583 WeakPolarHBondContact O-CD 3.45Å; P583-A586 PolarHBondContact O-N 2.86Å; P583-E587 PolarHBondContact O-N 2.9Å
584R96.6Very high96.2Very high103 Ų10356 Ų5639%0.38929%0.285SS..Hα-helixtrans-63.5-42.5176.2-177.9179.6175.3-169.3-3.3111.8T580 V581 M582 Q588 A612T580-R584 PolarHBondContact O-N 2.95Å; V581-R584 PolarHBondContact O-N 2.73Å; M582-R584 PolarHBondContact O-N 3.16Å; R584-Q588 VanDerWaalsContact O-CG 3.3Å; R584-Q588 WeakPolarHBondContact O-CG 3.29Å; R584-Q588 PolarHBondContact O-N 3.37Å; R584-Q588 VanDerWaalsContact O-N 3.11Å; R584-A612 HydrophobicContact CG-CB 4.28Å
585F97.7Very high95.9Very high0 Ų056.3 Ų56.30%029%0.287CS..Hα-helixtrans-61.8-45.6175173.8-106.2000111.5A540 I543 R544 V581 M582 E587 Q588 V589 F609 S613 V616A540-F585 HydrophobicContact CB-CE1 4.13Å; A540-F585 HydrophobicContact CB-CZ 4.03Å; I543-F585 HydrophobicContact CB-CE1 4.03Å; I543-F585 HydrophobicContact CB-CZ 4.25Å; I543-F585 HydrophobicContact CD1-CE1 4.34Å; I543-F585 HydrophobicContact CD1-CE2 4.35Å; I543-F585 HydrophobicContact CD1-CZ 3.68Å; I543-F585 HydrophobicContact CG2-CD1 4.28Å; I543-F585 HydrophobicContact CG2-CE1 3.75Å; I543-F585 HydrophobicContact CG2-CZ 4.08Å; R544-F585 HydrophobicContact CG-CE1 4.46Å; V581-F585 PolarHBondContact O-N 2.92Å; M582-F585 HydrophobicContact CE-CD1 3.91Å; M582-F585 PolarHBondContact O-N 3.31Å; F585-E587 PolarHBondContact O-N 3.46Å; F585-Q588 PolarHBondContact O-N 3.46Å; F585-V589 HydrophobicContact CD1-CG2 4.27Å; F585-V589 HydrophobicContact CD2-CG2 4.22Å; F585-V589 HydrophobicContact CE1-CG2 3.82Å; F585-V589 HydrophobicContact CE2-CG2 3.76Å; F585-V589 HydrophobicContact CG-CG2 4.46Å; F585-V589 HydrophobicContact CZ-CG2 3.53Å; F585-V589 VanDerWaalsContact O-CG2 3.29Å; F585-V589 WeakPolarHBondContact O-CG2 3.41Å; F585-V589 PolarHBondContact O-N 2.82Å; F585-F609 HydrophobicContact CE2-CZ 4.39Å; F585-S613 WeakPolarHBondContact CE2-OG 3.33Å; F585-V616 HydrophobicContact CB-CG2 3.7Å; F585-V616 HydrophobicContact CD1-CG2 4.26Å; F585-V616 HydrophobicContact CD2-CG2 4Å; F585-V616 HydrophobicContact CG-CG2 3.71Å
586A96.6Very high95.6Very high21 Ų2152.6 Ų52.617%0.17427%0.272CS..Hα-helixtrans-60.5-44.9178.300000112.4M582 P583 Q588 V589 E590M582-A586 WeakPolarHBondContact O-CB 3.25Å; M582-A586 PolarHBondContact O-N 2.91Å; P583-A586 PolarHBondContact O-N 2.86Å; A586-Q588 VanDerWaalsContact C-N 3.35Å; A586-Q588 PolarHBondContact O-N 3Å; A586-V589 PolarHBondContact O-N 3.28Å; A586-E590 WeakPolarHBondContact O-CG 3.33Å; A586-E590 PolarHBondContact O-N 3.14Å
587E96.6Very high95.3Very high118 Ų11852.3 Ų52.355%0.55128%0.277SS*.Hα-helixtrans-58.4-45.5175.5-178.8179.3-162.700111.7P583 F585 V589 E590 V591P583-E587 PolarHBondContact O-N 2.9Å; F585-E587 PolarHBondContact O-N 3.46Å; E587-V589 VanDerWaalsContact C-N 3.35Å; E587-V589 PolarHBondContact O-N 3.2Å; E587-E590 PolarHBondContact O-N 3.45Å; E587-V591 WeakPolarHBondContact O-CG2 3.35Å; E587-V591 PolarHBondContact O-N 2.81Å
588Q95.3Very high94.8Very high26 Ų2653.6 Ų53.612%0.12129%0.288CS..Hα-helixtrans-67.2-34.8179.4-70.2-69-36.200112.7R584 F585 A586 A592 F609 A612R584-Q588 VanDerWaalsContact O-CG 3.3Å; R584-Q588 WeakPolarHBondContact O-CG 3.29Å; R584-Q588 PolarHBondContact O-N 3.37Å; R584-Q588 VanDerWaalsContact O-N 3.11Å; F585-Q588 PolarHBondContact O-N 3.46Å; A586-Q588 VanDerWaalsContact C-N 3.35Å; A586-Q588 PolarHBondContact O-N 3Å; Q588-A592 VanDerWaalsContact O-CB 3.29Å; Q588-A592 WeakPolarHBondContact O-CB 3.46Å; Q588-A592 PolarHBondContact O-N 2.89Å; Q588-F609 HydrophobicContact CB-CD2 4.11Å; Q588-A612 HydrophobicContact CB-CB 4.2Å; Q588-A612 HydrophobicContact CG-CB 3.86Å
589V95.8Very high94Very high4 Ų460 Ų602%0.02432%0.318CS..Hα-helixtrans-63.9-46.2172.3170.10000110.9A540 F585 A586 E587 A592 I593 F609A540-V589 HydrophobicContact CB-CB 4.33Å; A540-V589 HydrophobicContact CB-CG1 3.64Å; A540-V589 HydrophobicContact CB-CG2 3.72Å; F585-V589 HydrophobicContact CD1-CG2 4.27Å; F585-V589 HydrophobicContact CD2-CG2 4.22Å; F585-V589 HydrophobicContact CE1-CG2 3.82Å; F585-V589 HydrophobicContact CE2-CG2 3.76Å; F585-V589 HydrophobicContact CG-CG2 4.46Å; F585-V589 HydrophobicContact CZ-CG2 3.53Å; F585-V589 VanDerWaalsContact O-CG2 3.29Å; F585-V589 WeakPolarHBondContact O-CG2 3.41Å; F585-V589 PolarHBondContact O-N 2.82Å; A586-V589 PolarHBondContact O-N 3.28Å; E587-V589 VanDerWaalsContact C-N 3.35Å; E587-V589 PolarHBondContact O-N 3.2Å; V589-A592 PolarHBondContact O-N 3.31Å; V589-I593 HydrophobicContact CG1-CD1 3.66Å; V589-I593 HydrophobicContact CG1-CG1 4.37Å; V589-I593 WeakPolarHBondContact O-CB 3.24Å; V589-I593 VanDerWaalsContact O-CG1 3.3Å; V589-I593 WeakPolarHBondContact O-CG1 3.42Å; V589-I593 PolarHBondContact O-N 3.42Å; V589-F609 HydrophobicContact CB-CE2 4.47Å; V589-F609 HydrophobicContact CG2-CE2 3.74Å; V589-F609 HydrophobicContact CG2-CZ 4.34Å
590E95Very high93.2Very high115 Ų11559.5 Ų59.554%0.53732%0.324SS..Hα-helixtrans-60.5-48178-73.1174.4-172.100111.2A586 E587 A592 I593 E594A586-E590 WeakPolarHBondContact O-CG 3.33Å; A586-E590 PolarHBondContact O-N 3.14Å; E587-E590 PolarHBondContact O-N 3.45Å; E590-A592 VanDerWaalsContact C-N 3.34Å; E590-A592 PolarHBondContact O-N 3.47Å; E590-I593 PolarHBondContact O-N 3.48Å; E590-E594 WeakPolarHBondContact O-CB 3.49Å; E590-E594 WeakPolarHBondContact O-CG 3.3Å; E590-E594 PolarHBondContact O-N 2.99Å
591V94.1Very high92.2Very high67 Ų6760 Ų6041%0.40633%0.329SS..Hα-helixtrans-58.5-44.3176.4170.70000111.7E587 A595E587-V591 WeakPolarHBondContact O-CG2 3.35Å; E587-V591 PolarHBondContact O-N 2.81Å; V591-A595 VanDerWaalsContact O-CB 3.31Å; V591-A595 WeakPolarHBondContact O-CB 3.5Å; V591-A595 PolarHBondContact O-N 3.36Å
592A93.5Very high91.6Very high1 Ų165.2 Ų65.21%0.00835%0.352CS..Hα-helixtrans-64.8-45.3178.800000112.2L528 L536 Q588 V589 E590 A595 L596 F609L528-A592 HydrophobicContact CD1-CB 3.69Å; L536-A592 HydrophobicContact CD2-CB 4.17Å; Q588-A592 VanDerWaalsContact O-CB 3.29Å; Q588-A592 WeakPolarHBondContact O-CB 3.46Å; Q588-A592 PolarHBondContact O-N 2.89Å; V589-A592 PolarHBondContact O-N 3.31Å; E590-A592 VanDerWaalsContact C-N 3.34Å; E590-A592 PolarHBondContact O-N 3.47Å; A592-A595 PolarHBondContact O-N 3.11Å; A592-L596 WeakPolarHBondContact O-CB 3.36Å; A592-L596 WeakPolarHBondContact O-CG 3.42Å; A592-L596 PolarHBondContact O-N 3.17Å; A592-F609 HydrophobicContact CB-CD2 4.15Å; A592-F609 HydrophobicContact CB-CE2 4.4Å
593I93.7Very high90.8Very high34 Ų3470.3 Ų70.317%0.17439%0.387CS..Hα-helixtrans-62.2-44.6177.7-72.2171.2000110.7V533 L536 D537 V589 E590 L596 S597V533-I593 HydrophobicContact CG1-CB 4.48Å; V533-I593 HydrophobicContact CG1-CG1 4.3Å; V533-I593 HydrophobicContact CG1-CG2 3.84Å; L536-I593 HydrophobicContact CD2-CG1 3.94Å; L536-I593 HydrophobicContact CG-CG1 4.32Å; D537-I593 HydrophobicContact CB-CD1 3.81Å; V589-I593 HydrophobicContact CG1-CD1 3.66Å; V589-I593 HydrophobicContact CG1-CG1 4.37Å; V589-I593 WeakPolarHBondContact O-CB 3.24Å; V589-I593 VanDerWaalsContact O-CG1 3.3Å; V589-I593 WeakPolarHBondContact O-CG1 3.42Å; V589-I593 PolarHBondContact O-N 3.42Å; E590-I593 PolarHBondContact O-N 3.48Å; I593-L596 PolarHBondContact O-N 3.44Å; I593-S597 WeakPolarHBondContact O-CB 3.38Å; I593-S597 PolarHBondContact O-N 2.85Å; I593-S597 PolarHBondContact O-OG 2.63Å
594E92.8Very high90.2Very high139 Ų13970 Ų7065%0.6538%0.379SS*.Hα-helixtrans-63.4-42.1177.6-74.2-175.5175.800112.1E590 S597 A598E590-E594 WeakPolarHBondContact O-CB 3.49Å; E590-E594 WeakPolarHBondContact O-CG 3.3Å; E590-E594 PolarHBondContact O-N 2.99Å; E594-S597 PolarHBondContact O-N 2.9Å; E594-A598 PolarHBondContact O-N 3.09Å
595A91.7Very high89.8Confident8 Ų871.1 Ų71.17%0.06639%0.389CS..Hα-helixtrans-64.7-40179.100000112.5V591 A592 P601 Q602 F604V591-A595 VanDerWaalsContact O-CB 3.31Å; V591-A595 WeakPolarHBondContact O-CB 3.5Å; V591-A595 PolarHBondContact O-N 3.36Å; A592-A595 PolarHBondContact O-N 3.11Å; A595-P601 WeakPolarHBondContact O-CA 3.44Å; A595-Q602 HydrophobicContact CB-CB 4.22Å; A595-Q602 PolarHBondContact O-N 3.29Å; A595-F604 HydrophobicContact CB-CB 3.98Å; A595-F604 HydrophobicContact CB-CD1 3.94Å; A595-F604 HydrophobicContact CB-CG 4.26Å
596L91.1Very high89.3Confident36 Ų3674.3 Ų74.319%0.18840%0.404CS..Hα-helixtrans-76.7-34.1177.8-70.7175.8000113.1L528 V533 L536 A592 I593 A598 F604L528-L596 HydrophobicContact CD1-CD1 4.11Å; V533-L596 HydrophobicContact CG2-CB 3.62Å; V533-L596 HydrophobicContact CG2-CD1 4.23Å; L536-L596 HydrophobicContact CD2-CD1 4.24Å; A592-L596 WeakPolarHBondContact O-CB 3.36Å; A592-L596 WeakPolarHBondContact O-CG 3.42Å; A592-L596 PolarHBondContact O-N 3.17Å; I593-L596 PolarHBondContact O-N 3.44Å; L596-A598 VanDerWaalsContact C-N 3.31Å; L596-A598 PolarHBondContact O-N 2.95Å; L596-F604 HydrophobicContact CD2-CE1 4.25Å; L596-F604 HydrophobicContact CG-CE1 4.49Å
597S90.1Very high89Confident73 Ų7379 Ų7951%0.5143%0.426SS..Hα-helixtrans-80.3-11.1-178.5-56.50000113.6I593 E594I593-S597 WeakPolarHBondContact O-CB 3.38Å; I593-S597 PolarHBondContact O-N 2.85Å; I593-S597 PolarHBondContact O-OG 2.63Å; E594-S597 PolarHBondContact O-N 2.9Å
598A87.3Confident88.7Confident28 Ų2877.3 Ų77.323%0.23142%0.418CS..SBendtrans-63.6145.1177.300000111.7E594 L596 V600 Q602E594-A598 PolarHBondContact O-N 3.09Å; L596-A598 VanDerWaalsContact C-N 3.31Å; L596-A598 PolarHBondContact O-N 2.95Å; A598-V600 WeakPolarHBondContact CB-O 3.27Å; A598-V600 CarbonylContact O-C 3.51Å; A598-V600 PolarHBondContact O-N 2.77Å; A598-Q602 HydrophobicContact CB-CG 4.19Å
599N79.3Confident88.6Confident177 Ų17776 Ų7695%0.94741%0.412SS*.SBendtrans-52.4-28.4177.8-82.2-22.2000113.7
600V80.9Confident88.3Confident114 Ų11477 Ų7769%0.69142%0.417SS*.SBendtrans-123.7120.2164.5-1800000105.8A598 Q602A598-V600 WeakPolarHBondContact CB-O 3.27Å; A598-V600 CarbonylContact O-C 3.51Å; A598-V600 PolarHBondContact O-N 2.77Å; V600-Q602 PolarHBondContact O-N 2.83Å
601P76.4Confident88.1Confident95 Ų9575.2 Ų75.262%0.61741%0.411SS*.PPolyproline II helixtrans-51.3123.9177.5-29.135.4000110.9A595A595-P601 WeakPolarHBondContact O-CA 3.44Å
602Q83.3Confident88Confident122 Ų12272.1 Ų72.157%0.5739%0.392SS*.PPolyproline II helixtrans-86.2147.7179.8-66.3-172.756.600110.1A595 A598 V600 F604A595-Q602 HydrophobicContact CB-CB 4.22Å; A595-Q602 PolarHBondContact O-N 3.29Å; A598-Q602 HydrophobicContact CB-CG 4.19Å; V600-Q602 PolarHBondContact O-N 2.83Å; Q602-F604 PolarHBondContact O-N 2.84Å
603P81.3Confident88Confident131 Ų13172 Ų7285%0.85139%0.392SS*.PPolyproline II helixtrans-64.9131.9171.728.5-33000109.3
604F85.8Confident87.9Confident59 Ų5977.3 Ų77.326%0.25941%0.409SS..  trans-131.9159.317271.4-87.4000109.3L528 A595 L596 Q602 E606L528-F604 HydrophobicContact CD1-CE1 4.33Å; L528-F604 HydrophobicContact CD1-CE2 3.62Å; L528-F604 HydrophobicContact CD1-CZ 3.43Å; L528-F604 VanDerWaalsContact CD1-CZ 3.43Å; L528-F604 HydrophobicContact CD2-CE2 3.86Å; L528-F604 HydrophobicContact CD2-CZ 4.16Å; L528-F604 HydrophobicContact CG-CE2 3.91Å; L528-F604 HydrophobicContact CG-CZ 3.71Å; A595-F604 HydrophobicContact CB-CB 3.98Å; A595-F604 HydrophobicContact CB-CD1 3.94Å; A595-F604 HydrophobicContact CB-CG 4.26Å; L596-F604 HydrophobicContact CD2-CE1 4.25Å; L596-F604 HydrophobicContact CG-CE1 4.49Å; Q602-F604 PolarHBondContact O-N 2.84Å; F604-E606 HydrophobicContact CE2-CB 4.01Å; F604-E606 HydrophobicContact CE2-CG 4.4Å; F604-E606 PolarHBondContact O-N 3.28Å
605E87.8Confident87.9Confident125 Ų12573.7 Ų73.758%0.58439%0.394SS*.  trans-84.891-178.4-63.5-161.6-171.900111.4N607 E608 F609E605-N607 PolarHBondContact O-N 2.92Å; E605-E608 HydrophobicContact CB-CB 4.1Å; E605-E608 HydrophobicContact CB-CG 3.83Å; E605-E608 PolarHBondContact O-N 2.99Å; E605-E608 WeakPolarHBondContact OE2-CG 3.41Å; E605-F609 PolarHBondContact O-N 3.4Å
606E87.8Confident88.1Confident68 Ų6873.3 Ų73.332%0.31839%0.391SS..Hα-helixtrans-54.8-35.8178.4-167.5-173.4161.900112.9L528 Q529 F604 E608 F609 I610L528-E606 HydrophobicContact CD2-CG 3.98Å; Q529-E606 VanDerWaalsContact CG-OE1 3.23Å; Q529-E606 WeakPolarHBondContact CG-OE1 3.32Å; Q529-E606 PolarHBondContact NE2-OE1 3.19Å; F604-E606 HydrophobicContact CE2-CB 4.01Å; F604-E606 HydrophobicContact CE2-CG 4.4Å; F604-E606 PolarHBondContact O-N 3.28Å; E606-E608 PolarHBondContact O-N 3.5Å; E606-F609 PolarHBondContact O-N 3.32Å; E606-I610 HydrophobicContact CG-CD1 3.98Å; E606-I610 HydrophobicContact CG-CG1 4.5Å; E606-I610 VanDerWaalsContact O-CG1 3.29Å; E606-I610 WeakPolarHBondContact O-CG1 3.41Å; E606-I610 PolarHBondContact O-N 2.9Å
607N89.6Confident88.2Confident120 Ų12073.4 Ų73.464%0.64239%0.389SS*.Hα-helixtrans-64.4-38.3178-68.5-33.1000112.5E605 F609 I610 D611E605-N607 PolarHBondContact O-N 2.92Å; N607-F609 VanDerWaalsContact C-N 3.35Å; N607-I610 PolarHBondContact O-N 3.17Å; N607-D611 WeakPolarHBondContact O-CB 3.4Å; N607-D611 VanDerWaalsContact O-CG 3.27Å; N607-D611 PolarHBondContact O-N 2.93Å
608E90.9Very high88.2Confident81 Ų8173.2 Ų73.238%0.37938%0.382SS..Hα-helixtrans-67.6-38.2177.9-68.3-164.6150.400111.5E605 E606 D611 A612E605-E608 HydrophobicContact CB-CB 4.1Å; E605-E608 HydrophobicContact CB-CG 3.83Å; E605-E608 PolarHBondContact O-N 2.99Å; E605-E608 WeakPolarHBondContact OE2-CG 3.41Å; E606-E608 PolarHBondContact O-N 3.5Å; E608-D611 PolarHBondContact O-N 3.45Å; E608-A612 WeakPolarHBondContact O-CB 3.24Å; E608-A612 PolarHBondContact O-N 3.48Å
609F92.1Very high88.5Confident0 Ų072.1 Ų72.10%037%0.374CS..Hα-helixtrans-63.4-47.1173.4179.5-83.9000111.6C524 V525 L528 L536 F585 Q588 V589 A592 E605 E606 N607 D611 A612 S613C524-F609 HydrophobicContact CB-CE1 4.22Å; C524-F609 HydrophobicContact CB-CZ 4.1Å; V525-F609 HydrophobicContact CG2-CE1 4.4Å; L528-F609 HydrophobicContact CD2-CB 4.12Å; L528-F609 HydrophobicContact CD2-CD1 3.34Å; L528-F609 HydrophobicContact CD2-CD2 4.39Å; L528-F609 HydrophobicContact CD2-CE1 3.8Å; L528-F609 HydrophobicContact CD2-CG 3.68Å; L528-F609 HydrophobicContact CD2-CZ 4.49Å; L536-F609 HydrophobicContact CD1-CE2 4.29Å; L536-F609 HydrophobicContact CD1-CZ 3.8Å; F585-F609 HydrophobicContact CE2-CZ 4.39Å; Q588-F609 HydrophobicContact CB-CD2 4.11Å; V589-F609 HydrophobicContact CB-CE2 4.47Å; V589-F609 HydrophobicContact CG2-CE2 3.74Å; V589-F609 HydrophobicContact CG2-CZ 4.34Å; A592-F609 HydrophobicContact CB-CD2 4.15Å; A592-F609 HydrophobicContact CB-CE2 4.4Å; E605-F609 PolarHBondContact O-N 3.4Å; E606-F609 PolarHBondContact O-N 3.32Å; N607-F609 VanDerWaalsContact C-N 3.35Å; F609-D611 VanDerWaalsContact C-N 3.31Å; F609-D611 PolarHBondContact O-N 3.21Å; F609-A612 PolarHBondContact O-N 3.41Å; F609-S613 VanDerWaalsContact CE1-OG 3.3Å; F609-S613 WeakPolarHBondContact CE1-OG 3.4Å; F609-S613 WeakPolarHBondContact O-CB 3.41Å; F609-S613 PolarHBondContact O-N 3.38Å; F609-S613 PolarHBondContact O-OG 2.97Å
610I90.2Very high89.2Confident24 Ų2463.7 Ų63.712%0.12333%0.329CS..Hα-helixtrans-60.5-44.4177.8-69.6167.3000110V525 E606 N607 S613 R614V525-I610 HydrophobicContact CG1-CD1 4.33Å; V525-I610 HydrophobicContact CG1-CG1 4.22Å; V525-I610 HydrophobicContact CG2-CG1 4.04Å; E606-I610 HydrophobicContact CG-CD1 3.98Å; E606-I610 HydrophobicContact CG-CG1 4.5Å; E606-I610 VanDerWaalsContact O-CG1 3.29Å; E606-I610 WeakPolarHBondContact O-CG1 3.41Å; E606-I610 PolarHBondContact O-N 2.9Å; N607-I610 PolarHBondContact O-N 3.17Å; I610-S613 PolarHBondContact O-N 3.4Å; I610-R614 HydrophobicContact CG2-CG 4.46Å; I610-R614 WeakPolarHBondContact O-CB 3.4Å; I610-R614 VanDerWaalsContact O-CG 3.31Å; I610-R614 WeakPolarHBondContact O-CG 3.35Å; I610-R614 PolarHBondContact O-N 2.99Å
611D90.7Very high89.6Confident78 Ų7860.9 Ų60.942%0.41731%0.306SS..Hα-helixtrans-64.9-43178.2-75.3-14.4000111.8N607 E608 F609 S613 R614 L615N607-D611 WeakPolarHBondContact O-CB 3.4Å; N607-D611 VanDerWaalsContact O-CG 3.27Å; N607-D611 PolarHBondContact O-N 2.93Å; E608-D611 PolarHBondContact O-N 3.45Å; F609-D611 VanDerWaalsContact C-N 3.31Å; F609-D611 PolarHBondContact O-N 3.21Å; D611-S613 VanDerWaalsContact C-N 3.32Å; D611-S613 PolarHBondContact O-N 2.98Å; D611-R614 PolarHBondContact O-N 3.47Å; D611-R614 IonicContact OD1-NH1 3.9Å; D611-L615 VanDerWaalsContact O-CG 3.31Å; D611-L615 WeakPolarHBondContact O-CG 3.05Å; D611-L615 PolarHBondContact O-N 3.26Å
612A92.6Very high90.3Very high1 Ų158.8 Ų58.81%0.00829%0.289CS..Hα-helixtrans-62.7-39.5175.200000112R584 Q588 E608 F609 L615 V616R584-A612 HydrophobicContact CG-CB 4.28Å; Q588-A612 HydrophobicContact CB-CB 4.2Å; Q588-A612 HydrophobicContact CG-CB 3.86Å; E608-A612 WeakPolarHBondContact O-CB 3.24Å; E608-A612 PolarHBondContact O-N 3.48Å; F609-A612 PolarHBondContact O-N 3.41Å; A612-L615 PolarHBondContact O-N 3.18Å; A612-V616 PolarHBondContact O-N 3.44Å
613S93.1Very high90.8Very high0 Ų053 Ų530%026%0.262CS..Hα-helixtrans-67.3-41.9177.3-55.50000112.1F585 F609 I610 D611 L615 V616F585-S613 WeakPolarHBondContact CE2-OG 3.33Å; F609-S613 VanDerWaalsContact CE1-OG 3.3Å; F609-S613 WeakPolarHBondContact CE1-OG 3.4Å; F609-S613 WeakPolarHBondContact O-CB 3.41Å; F609-S613 PolarHBondContact O-N 3.38Å; F609-S613 PolarHBondContact O-OG 2.97Å; I610-S613 PolarHBondContact O-N 3.4Å; D611-S613 VanDerWaalsContact C-N 3.32Å; D611-S613 PolarHBondContact O-N 2.98Å; S613-L615 VanDerWaalsContact C-N 3.31Å; S613-L615 PolarHBondContact O-N 2.59Å; S613-V616 WeakPolarHBondContact O-CB 3.4Å; S613-V616 PolarHBondContact O-N 3.21Å; S613-V616 VanDerWaalsContact O-N 3.16Å
614R90.4Very high91.2Very high145 Ų14547.9 Ų47.955%0.54723%0.226SC..Hα-helixtrans-60.9-39.6174.7-76.5172.7177.6170.90.5112.3I610 D611 V616 Y617 D618I610-R614 HydrophobicContact CG2-CG 4.46Å; I610-R614 WeakPolarHBondContact O-CB 3.4Å; I610-R614 VanDerWaalsContact O-CG 3.31Å; I610-R614 WeakPolarHBondContact O-CG 3.35Å; I610-R614 PolarHBondContact O-N 2.99Å; D611-R614 PolarHBondContact O-N 3.47Å; D611-R614 IonicContact OD1-NH1 3.9Å; R614-V616 PolarHBondContact O-N 2.93Å; R614-Y617 WeakPolarHBondContact O-CB 3.06Å; R614-Y617 PolarHBondContact O-N 2.79Å; R614-Y617 VanDerWaalsContact O-N 3.14Å; R614-D618 PolarHBondContact O-N 3.01Å
615L93.5Very high91.1Very high63 Ų6346.8 Ų46.833%0.3322%0.221SC..Hα-helixtrans-60.7-30.5176.7-71.9172.7000112.8V581 D611 A612 S613 G619V581-L615 VanDerWaalsContact CG1-C 3.44Å; V581-L615 HydrophobicContact CG1-CB 3.91Å; V581-L615 WeakPolarHBondContact CG1-O 3.41Å; D611-L615 VanDerWaalsContact O-CG 3.31Å; D611-L615 WeakPolarHBondContact O-CG 3.05Å; D611-L615 PolarHBondContact O-N 3.26Å; A612-L615 PolarHBondContact O-N 3.18Å; S613-L615 VanDerWaalsContact C-N 3.31Å; S613-L615 PolarHBondContact O-N 2.59Å; L615-G619 PolarHBondContact O-N 3.26Å
616V96.2Very high91.1Very high0 Ų041.9 Ų41.90%020%0.202CC..Hα-helixtrans-64.6-48.3174.6-176.80000110.7I517 I543 L577 V581 M582 F585 A612 S613 R614 G619 V620I517-V616 HydrophobicContact CG2-CG1 4.05Å; I543-V616 HydrophobicContact CG2-CB 4.46Å; I543-V616 HydrophobicContact CG2-CG1 3.68Å; L577-V616 HydrophobicContact CD1-CG1 4.48Å; V581-V616 HydrophobicContact CG1-CB 4.31Å; V581-V616 HydrophobicContact CG1-CG2 3.89Å; M582-V616 HydrophobicContact SD-CB 4.46Å; M582-V616 HydrophobicContact SD-CG1 3.71Å; M582-V616 HydrophobicContact SD-CG2 3.94Å; F585-V616 HydrophobicContact CB-CG2 3.7Å; F585-V616 HydrophobicContact CD1-CG2 4.26Å; F585-V616 HydrophobicContact CD2-CG2 4Å; F585-V616 HydrophobicContact CG-CG2 3.71Å; A612-V616 PolarHBondContact O-N 3.44Å; S613-V616 WeakPolarHBondContact O-CB 3.4Å; S613-V616 PolarHBondContact O-N 3.21Å; S613-V616 VanDerWaalsContact O-N 3.16Å; R614-V616 PolarHBondContact O-N 2.93Å; V616-G619 PolarHBondContact O-N 3.49Å; V616-V620 WeakPolarHBondContact O-CG2 3.49Å; V616-V620 PolarHBondContact O-N 3.07Å; V616-V620 VanDerWaalsContact O-N 3.14Å
617Y92.8Very high91Very high38 Ų3838.7 Ų38.715%0.14919%0.187CC..Hα-helixtrans-59.3-49.5175.4169.1-99.2000111.4E514 L518 R614 G619 V620 R621E514-Y617 HydrophobicContact CG-CD2 4.23Å; E514-Y617 HydrophobicContact CG-CE2 3.51Å; E514-Y617 PolarHBondContact OE1-OH 3.27Å; L518-Y617 HydrophobicContact CB-CD2 3.71Å; L518-Y617 HydrophobicContact CB-CE2 3.85Å; L518-Y617 HydrophobicContact CD1-CD2 4.03Å; L518-Y617 HydrophobicContact CD1-CE2 4.27Å; L518-Y617 HydrophobicContact CD1-CG 4.21Å; L518-Y617 HydrophobicContact CD2-CE2 4.07Å; L518-Y617 HydrophobicContact CG-CD2 4.31Å; L518-Y617 HydrophobicContact CG-CE2 4.29Å; R614-Y617 WeakPolarHBondContact O-CB 3.06Å; R614-Y617 PolarHBondContact O-N 2.79Å; R614-Y617 VanDerWaalsContact O-N 3.14Å; Y617-G619 VanDerWaalsContact C-N 3.32Å; Y617-G619 PolarHBondContact O-N 3.33Å; Y617-V620 PolarHBondContact O-N 2.82Å; Y617-R621 WeakPolarHBondContact O-CB 3.46Å; Y617-R621 PolarHBondContact O-N 3Å
618D90.7Very high90.6Very high69 Ų6933.7 Ų33.737%0.36916%0.16SC..Hα-helixtrans-60.9-40.4179.2-70.8-25.1000111.8R614 V620 R621 D622R614-D618 PolarHBondContact O-N 3.01Å; D618-V620 PolarHBondContact O-N 3.09Å; D618-R621 PolarHBondContact O-N 3.29Å; D618-D622 WeakPolarHBondContact O-CB 3.46Å; D618-D622 PolarHBondContact O-N 3.41Å
619G92.6Very high89.9Confident5 Ų535.1 Ų35.15%0.05217%0.168CC..Hα-helixtrans-62.9-40.2177.500000113.1L615 V616 Y617 D622 I623L615-G619 PolarHBondContact O-N 3.26Å; V616-G619 PolarHBondContact O-N 3.49Å; Y617-G619 VanDerWaalsContact C-N 3.32Å; Y617-G619 PolarHBondContact O-N 3.33Å; G619-D622 PolarHBondContact O-N 3.09Å; G619-I623 WeakPolarHBondContact O-CG1 3.29Å; G619-I623 PolarHBondContact O-N 3.48Å; G619-I623 VanDerWaalsContact O-N 3.11Å
620V95.3Very high88.9Confident0 Ų037 Ų370%018%0.177CC..Hα-helixtrans-69.1-41.1175.4173.80000110.8E514 I517 V550 L577 V616 Y617 D618 D622 I623 R624E514-V620 HydrophobicContact CB-CG1 4.26Å; I517-V620 HydrophobicContact CD1-CB 4.34Å; I517-V620 HydrophobicContact CD1-CG1 4.23Å; I517-V620 HydrophobicContact CD1-CG2 3.5Å; V550-V620 HydrophobicContact CG2-CG1 4.43Å; L577-V620 HydrophobicContact CD2-CG2 3.8Å; V616-V620 WeakPolarHBondContact O-CG2 3.49Å; V616-V620 PolarHBondContact O-N 3.07Å; V616-V620 VanDerWaalsContact O-N 3.14Å; Y617-V620 PolarHBondContact O-N 2.82Å; D618-V620 PolarHBondContact O-N 3.09Å; V620-D622 VanDerWaalsContact C-N 3.31Å; V620-D622 PolarHBondContact O-N 2.65Å; V620-I623 PolarHBondContact O-N 3.42Å; V620-R624 PolarHBondContact O-N 2.9Å
621R89.6Confident87.9Confident55 Ų5537.5 Ų37.521%0.20818%0.178CC..Hα-helixtrans-61.9-39.1175.2-173.6174.6-175.5-166.6-0.1111.8E514 Y617 D618 R624 K625 E645E514-R621 WeakPolarHBondContact OE1-CD 3.49Å; E514-R621 WeakPolarHBondContact OE1-CG 3.46Å; E514-R621 IonicContact OE1-NE 2.69Å; Y617-R621 WeakPolarHBondContact O-CB 3.46Å; Y617-R621 PolarHBondContact O-N 3Å; D618-R621 PolarHBondContact O-N 3.29Å; R621-R624 PolarHBondContact O-N 2.82Å; R621-K625 HydrophobicContact CG-CD 4.31Å; R621-K625 WeakPolarHBondContact O-CB 3.24Å; R621-K625 VanDerWaalsContact O-CG 3.28Å; R621-K625 WeakPolarHBondContact O-CG 3.46Å; R621-K625 PolarHBondContact O-N 2.7Å; R621-E645 PolarHBondContact NH2-O 3.47Å
622D89.6Confident86.4Confident50 Ų5035.8 Ų35.827%0.26717%0.17SC..Hα-helixtrans-65.6-40.3176.2-80.2-12.5000112D618 G619 V620 K625 A626D618-D622 WeakPolarHBondContact O-CB 3.46Å; D618-D622 PolarHBondContact O-N 3.41Å; G619-D622 PolarHBondContact O-N 3.09Å; V620-D622 VanDerWaalsContact C-N 3.31Å; V620-D622 PolarHBondContact O-N 2.65Å; D622-K625 PolarHBondContact O-N 3.1Å; D622-A626 WeakPolarHBondContact O-CB 3.46Å; D622-A626 PolarHBondContact O-N 2.91Å
623I93.9Very high84.5Confident0 Ų038.1 Ų38.10%019%0.185CC..Hα-helixtrans-60.8-50.2172-68.3167.9000110.3L510 V550 I554 A573 L577 G619 V620 K625 A626 V627L510-I623 HydrophobicContact CD2-CG2 4.26Å; V550-I623 HydrophobicContact CG1-CD1 4.1Å; V550-I623 HydrophobicContact CG1-CG2 4.29Å; I554-I623 HydrophobicContact CG1-CG2 3.82Å; I554-I623 HydrophobicContact CG2-CG2 4.28Å; A573-I623 HydrophobicContact CB-CG1 3.83Å; L577-I623 HydrophobicContact CB-CD1 4.05Å; L577-I623 HydrophobicContact CD2-CD1 3.48Å; L577-I623 VanDerWaalsContact CD2-CD1 3.48Å; L577-I623 HydrophobicContact CG-CD1 4.42Å; G619-I623 WeakPolarHBondContact O-CG1 3.29Å; G619-I623 PolarHBondContact O-N 3.48Å; G619-I623 VanDerWaalsContact O-N 3.11Å; V620-I623 PolarHBondContact O-N 3.42Å; I623-K625 VanDerWaalsContact C-N 3.32Å; I623-K625 PolarHBondContact O-N 3.2Å; I623-A626 PolarHBondContact O-N 2.73Å; I623-A626 VanDerWaalsContact O-N 3.1Å; I623-V627 HydrophobicContact CG2-CG2 4.4Å; I623-V627 WeakPolarHBondContact O-CG2 3.45Å; I623-V627 PolarHBondContact O-N 3.13Å
624R91Very high82.3Confident25 Ų2545.1 Ų45.19%0.09422%0.218CC..Hα-helixtrans-55.4-47.9177.2-176.1-176.8171.6-153.4-7111.4L510 E514 V620 R621 A626 V627 L628 D639L510-R624 HydrophobicContact CB-CB 4.12Å; L510-R624 HydrophobicContact CB-CG 3.9Å; L510-R624 HydrophobicContact CD1-CB 4.21Å; L510-R624 HydrophobicContact CD1-CG 4.3Å; E514-R624 WeakPolarHBondContact OE2-CD 3.47Å; E514-R624 IonicContact OE2-CZ 3.1Å; E514-R624 IonicContact OE2-NE 2.7Å; E514-R624 IonicContact OE2-NH1 2.65Å; E514-R624 PolarHBondContact OE2-NH1 3.22Å; V620-R624 PolarHBondContact O-N 2.9Å; R621-R624 PolarHBondContact O-N 2.82Å; R624-A626 VanDerWaalsContact C-N 3.32Å; R624-A626 PolarHBondContact O-N 2.84Å; R624-V627 PolarHBondContact O-N 3.46Å; R624-L628 HydrophobicContact CG-CD1 4.1Å; R624-L628 HydrophobicContact CG-CG 4.43Å; R624-L628 VanDerWaalsContact O-CG 3.32Å; R624-L628 WeakPolarHBondContact O-CG 3.29Å; R624-L628 PolarHBondContact O-N 2.91Å; R624-D639 IonicContact NH2-OD1 3.62Å; R624-D639 IonicContact NH2-OD2 3.81Å; R624-D639 PolarHBondContact NH2-OD2 3.43Å
625K83.7Confident80.7Confident36 Ų3642.7 Ų42.716%0.15721%0.213CC..Hα-helixtrans-59.3-41.6176.7-75.4170.3174176.20112.2R621 D622 I623 M629 D646R621-K625 HydrophobicContact CG-CD 4.31Å; R621-K625 WeakPolarHBondContact O-CB 3.24Å; R621-K625 VanDerWaalsContact O-CG 3.28Å; R621-K625 WeakPolarHBondContact O-CG 3.46Å; R621-K625 PolarHBondContact O-N 2.7Å; D622-K625 PolarHBondContact O-N 3.1Å; I623-K625 VanDerWaalsContact C-N 3.32Å; I623-K625 PolarHBondContact O-N 3.2Å; K625-M629 VanDerWaalsContact O-CG 3.26Å; K625-M629 WeakPolarHBondContact O-CG 3.41Å; K625-M629 PolarHBondContact O-N 3.14Å; K625-D646 PolarHBondContact NZ-O 3.48Å
626A86.2Confident78.9Confident21 Ų2142.7 Ų42.717%0.17421%0.213CC..Hα-helixtrans-66.1-40.2178.400000112V570 D622 I623 R624 M629V570-A626 HydrophobicContact CB-CB 4.47Å; V570-A626 HydrophobicContact CG2-CB 3.76Å; D622-A626 WeakPolarHBondContact O-CB 3.46Å; D622-A626 PolarHBondContact O-N 2.91Å; I623-A626 PolarHBondContact O-N 2.73Å; I623-A626 VanDerWaalsContact O-N 3.1Å; R624-A626 VanDerWaalsContact C-N 3.32Å; R624-A626 PolarHBondContact O-N 2.84Å; A626-M629 WeakPolarHBondContact O-CB 3.3Å; A626-M629 PolarHBondContact O-N 3.35Å
627V86.4Confident76.7Confident1 Ų148.8 Ų48.81%0.00624%0.241CC..Hα-helixtrans-66.2-44.9176.9173.10000111.3V506 L510 I554 V570 I623 R624 M629 I630V506-V627 HydrophobicContact CG1-CG1 4.38Å; L510-V627 HydrophobicContact CD1-CB 3.91Å; L510-V627 HydrophobicContact CD1-CG1 4.05Å; L510-V627 HydrophobicContact CD1-CG2 3.89Å; I554-V627 HydrophobicContact CD1-CG2 3.88Å; I554-V627 HydrophobicContact CG2-CG2 4.47Å; V570-V627 HydrophobicContact CG1-CG2 3.85Å; V570-V627 HydrophobicContact CG2-CG2 4.12Å; I623-V627 HydrophobicContact CG2-CG2 4.4Å; I623-V627 WeakPolarHBondContact O-CG2 3.45Å; I623-V627 PolarHBondContact O-N 3.13Å; R624-V627 PolarHBondContact O-N 3.46Å; V627-M629 PolarHBondContact O-N 2.97Å; V627-I630 WeakPolarHBondContact O-CB 3.46Å; V627-I630 PolarHBondContact O-N 3.38Å
628L81.4Confident74.8Confident16 Ų1649.1 Ų49.18%0.08425%0.246CC..Hα-helixtrans-60.5-20.3177.5-69.2172.9000113.3R624 I630 R631 L636 F642R624-L628 HydrophobicContact CG-CD1 4.1Å; R624-L628 HydrophobicContact CG-CG 4.43Å; R624-L628 VanDerWaalsContact O-CG 3.32Å; R624-L628 WeakPolarHBondContact O-CG 3.29Å; R624-L628 PolarHBondContact O-N 2.91Å; L628-I630 VanDerWaalsContact C-N 3.32Å; L628-R631 PolarHBondContact O-N 2.86Å; L628-L636 HydrophobicContact CD2-CD2 3.59Å; L628-F642 HydrophobicContact CD1-CD2 3.76Å; L628-F642 HydrophobicContact CD1-CE2 3.75Å
629M75.4Confident73Confident110 Ų11047.3 Ų47.354%0.54224%0.236SC..THydrogen-bonded Turntrans-78-14.5174.8-66.4-80.1179.900113.6Y566 K625 A626 V627Y566-M629 HydrophobicContact CD1-CB 4.49Å; K625-M629 VanDerWaalsContact O-CG 3.26Å; K625-M629 WeakPolarHBondContact O-CG 3.41Å; K625-M629 PolarHBondContact O-N 3.14Å; A626-M629 WeakPolarHBondContact O-CB 3.3Å; A626-M629 PolarHBondContact O-N 3.35Å; V627-M629 PolarHBondContact O-N 2.97Å
630I72.7Confident71Confident39 Ų3950.1 Ų50.120%0.226%0.255CS..THydrogen-bonded Turntrans-81.5-33.2171.9-63.4171.5000110.3M558 Y561 V570 V627 L628M558-I630 HydrophobicContact CE-CD1 3.9Å; M558-I630 HydrophobicContact SD-CD1 3.82Å; Y561-I630 HydrophobicContact CD1-CG2 3.96Å; Y561-I630 HydrophobicContact CE1-CG2 3.64Å; V570-I630 HydrophobicContact CG2-CD1 3.68Å; V627-I630 WeakPolarHBondContact O-CB 3.46Å; V627-I630 PolarHBondContact O-N 3.38Å; L628-I630 VanDerWaalsContact C-N 3.32Å
631R68.5Low68.8Low36 Ų3652.7 Ų52.714%0.13627%0.269CS..SBendtrans-65.8143.3-172.8-60.1-65.9177.7-148.1-5.5112.6D507 E557 Y561 L628 E635 L636D507-R631 IonicContact OD1-CZ 3.28Å; D507-R631 IonicContact OD1-NE 3.54Å; D507-R631 PolarHBondContact OD1-NE 2.81Å; D507-R631 IonicContact OD1-NH2 2.89Å; D507-R631 IonicContact OD2-CZ 3.67Å; D507-R631 IonicContact OD2-NE 2.8Å; D507-R631 PolarHBondContact OD2-NE 3.05Å; D507-R631 VanDerWaalsContact OD2-NE 3.1Å; E557-R631 IonicContact OE1-NH1 2.81Å; E557-R631 IonicContact OE1-NH2 3.58Å; E557-R631 PolarHBondContact OE1-NH2 3.31Å; Y561-R631 PolarHBondContact OH-NH1 3.06Å; L628-R631 PolarHBondContact O-N 2.86Å; R631-E635 WeakPolarHBondContact CA-OE2 3.38Å; R631-E635 HydrophobicContact CB-CB 4.29Å; R631-E635 WeakPolarHBondContact CD-OE2 3.45Å; R631-E635 IonicContact NH1-OE2 2.73Å; R631-L636 HydrophobicContact CB-CD2 3.81Å; R631-L636 HydrophobicContact CB-CG 3.96Å; R631-L636 HydrophobicContact CG-CD2 4.33Å
632T58.5Low66.4Low42 Ų4254.3 Ų54.326%0.25828%0.277SS..  trans-74.2153.6172.262.30000110.8E634 E635 L636 A702T632-E634 PolarHBondContact O-N 3.44Å; T632-E634 VanDerWaalsContact O-N 3.17Å; T632-E635 PolarHBondContact N-OE2 2.99Å; T632-E635 WeakPolarHBondContact O-CB 3.16Å; T632-E635 PolarHBondContact O-N 3.4Å; T632-E635 VanDerWaalsContact OG1-CG 3.25Å; T632-E635 WeakPolarHBondContact OG1-CG 3.36Å; T632-E635 PolarHBondContact OG1-N 3.39Å; T632-E635 PolarHBondContact OG1-OE1 3.19Å; T632-L636 WeakPolarHBondContact O-CG 3.45Å; T632-L636 PolarHBondContact O-N 3.5Å; T632-A702 HydrophobicContact CG2-CB 4.49Å
633P52.3Low63.9Low49 Ų4959 Ų5932%0.31830%0.298SS..Hα-helixtrans-55.7-31.7174.2-26.334.7000113.6L636 E637 D698P633-L636 PolarHBondContact O-N 3.01Å; P633-E637 PolarHBondContact O-N 3.01Å; P633-D698 HydrophobicContact CG-CB 3.64Å
634E48.3Very low61.3Low148 Ų14862.7 Ų62.769%0.69232%0.315SS*.Hα-helixtrans-66.3-36.3176-67167.2-178.600111.6T632T632-E634 PolarHBondContact O-N 3.44Å; T632-E634 VanDerWaalsContact O-N 3.17Å
635E55.6Low58.3Low94 Ų9467.6 Ų67.644%0.43934%0.339SS..Hα-helixtrans-71.3-30.1171.6-71.8155.9-142.600112.5R631 T632R631-E635 WeakPolarHBondContact CA-OE2 3.38Å; R631-E635 HydrophobicContact CB-CB 4.29Å; R631-E635 WeakPolarHBondContact CD-OE2 3.45Å; R631-E635 IonicContact NH1-OE2 2.73Å; T632-E635 PolarHBondContact N-OE2 2.99Å; T632-E635 WeakPolarHBondContact O-CB 3.16Å; T632-E635 PolarHBondContact O-N 3.4Å; T632-E635 VanDerWaalsContact OG1-CG 3.25Å; T632-E635 WeakPolarHBondContact OG1-CG 3.36Å; T632-E635 PolarHBondContact OG1-N 3.39Å; T632-E635 PolarHBondContact OG1-OE1 3.19Å
636L55.5Low55.9Low63 Ų6369.9 Ų69.933%0.3335%0.353SS..Hα-helixtrans-82.1-12-178.8-65.8175.8000114.3L628 R631 T632 P633 D638 D639L628-L636 HydrophobicContact CD2-CD2 3.59Å; R631-L636 HydrophobicContact CB-CD2 3.81Å; R631-L636 HydrophobicContact CB-CG 3.96Å; R631-L636 HydrophobicContact CG-CD2 4.33Å; T632-L636 WeakPolarHBondContact O-CG 3.45Å; T632-L636 PolarHBondContact O-N 3.5Å; P633-L636 PolarHBondContact O-N 3.01Å; L636-D638 PolarHBondContact O-N 3.28Å; L636-D639 PolarHBondContact O-N 3.06Å
637E50.4Low53.5Low128 Ų12870 Ų7060%0.59835%0.349SS*.THydrogen-bonded Turntrans-56.9-20.4178.8-74.3-164.8179.900113.6R374 P633R374-E637 IonicContact NH1-OE2 3.72Å; R374-E637 PolarHBondContact NH1-OE2 3.48Å; P633-E637 PolarHBondContact O-N 3.01Å
638D53.4Low50.8Low44 Ų4475.3 Ų75.324%0.23538%0.377CS..THydrogen-bonded Turntrans-85.6-20.1178.3-89.48.9000113.7R374 R378 R381 L636 S640R374-D638 WeakPolarHBondContact CD-OD1 3.32Å; R374-D638 IonicContact CZ-OD1 3.55Å; R374-D638 IonicContact NE-OD1 2.84Å; R378-D638 WeakPolarHBondContact CD-O 3.48Å; R378-D638 PolarHBondContact NE-O 3.37Å; R378-D638 PolarHBondContact NH1-O 2.93Å; R381-D638 IonicContact CZ-OD2 2.66Å; R381-D638 IonicContact NH1-OD2 3.66Å; R381-D638 IonicContact NH2-OD2 2.87Å; R381-D638 PolarHBondContact NH2-OD2 3.2Å; L636-D638 PolarHBondContact O-N 3.28Å; D638-S640 PolarHBondContact O-N 3.05Å
639D52.4Low48.7Very low31 Ų3177.9 Ų77.917%0.16639%0.394CS..  trans-85.781-176.5-160.20.1000112.4R624 L636 D641 F642R624-D639 IonicContact NH2-OD1 3.62Å; R624-D639 IonicContact NH2-OD2 3.81Å; R624-D639 PolarHBondContact NH2-OD2 3.43Å; L636-D639 PolarHBondContact O-N 3.06Å; D639-D641 PolarHBondContact O-N 3.42Å; D639-D641 PolarHBondContact OD1-N 3.09Å; D639-F642 HydrophobicContact CB-CB 4.49Å; D639-F642 PolarHBondContact O-N 2.81Å
640S50.8Low46.6Very low65 Ų6584.4 Ų84.446%0.45541%0.412SS..THydrogen-bonded Turntrans-65.9-17.5173.8680000114.2R378 D638 F642R378-S640 VanDerWaalsContact CZ-OG 3.28Å; R378-S640 PolarHBondContact NE-OG 3.26Å; R378-S640 PolarHBondContact NH2-OG 3.28Å; D638-S640 PolarHBondContact O-N 3.05Å; S640-F642 VanDerWaalsContact C-N 3.3Å
641D48.9Very low45.2Very low54 Ų5483.9 Ų83.929%0.28941%0.412SS..THydrogen-bonded Turntrans-89-2.9-175.1-64.6-5.1000111.4R330 K382 D639 E643R330-D641 IonicContact NH1-OD2 3.66Å; K382-D641 IonicContact NZ-OD2 2.89Å; K382-D641 PolarHBondContact NZ-OD2 3.11Å; D639-D641 PolarHBondContact O-N 3.42Å; D639-D641 PolarHBondContact OD1-N 3.09Å; D641-E643 PolarHBondContact O-N 2.94Å
642F39.7Very low44.2Very low88 Ų8890.9 Ų90.939%0.38644%0.438SS..  trans-82.268.3171.4-159.5-98.6000110.6L628 D639 S640 Q644L628-F642 HydrophobicContact CD1-CD2 3.76Å; L628-F642 HydrophobicContact CD1-CE2 3.75Å; D639-F642 HydrophobicContact CB-CB 4.49Å; D639-F642 PolarHBondContact O-N 2.81Å; S640-F642 VanDerWaalsContact C-N 3.3Å; F642-Q644 HydrophobicContact CD1-CB 4.42Å; F642-Q644 HydrophobicContact CE1-CB 4.12Å; F642-Q644 HydrophobicContact CE1-CG 3.8Å; F642-Q644 HydrophobicContact CZ-CG 4.45Å; F642-Q644 PolarHBondContact O-N 2.91Å
643E37.7Very low43.7Very low150 Ų15089.4 Ų89.470%0.70143%0.429SS*.  trans-66.9119.5153.9-68.1-110.3159.900106D641 E645D641-E643 PolarHBondContact O-N 2.94Å; E643-E645 PolarHBondContact O-N 3.3Å
644Q38Very low43.5Very low77 Ų7787.4 Ų87.436%0.3642%0.417SS..  trans-74.555.9-172.5-159.9175.311.100111.3F642 Y647 H691F642-Q644 HydrophobicContact CD1-CB 4.42Å; F642-Q644 HydrophobicContact CE1-CB 4.12Å; F642-Q644 HydrophobicContact CE1-CG 3.8Å; F642-Q644 HydrophobicContact CZ-CG 4.45Å; F642-Q644 PolarHBondContact O-N 2.91Å; Q644-Y647 HydrophobicContact CG-CE2 3.9Å; Q644-Y647 WeakPolarHBondContact CG-OH 3.49Å; Q644-Y647 PolarHBondContact NE2-OH 2.9Å; Q644-H691 PolarHBondContact NE2-CD2 3.33Å; Q644-H691 PolarHBondContact NE2-NE2 3.32Å; Q644-H691 VanDerWaalsContact NE2-NE2 3.14Å; Q644-H691 PolarHBondContact OE1-CD2 3.25Å; Q644-H691 PolarHBondContact OE1-NE2 3.23Å
645E29.4Very low43.5Very low128 Ų12885.7 Ų85.760%0.59842%0.416SS*.  trans-104.4128.4178.8-65.2-163.6150.800110.9R621 E643R621-E645 PolarHBondContact NH2-O 3.47Å; E643-E645 PolarHBondContact O-N 3.3Å
646D32.5Very low42.8Very low83 Ų8389.7 Ų89.744%0.44444%0.435SS..  trans82.2100.8161.8-53.1-32.3000119.1K625 K732K625-D646 PolarHBondContact NZ-O 3.48Å; D646-K732 IonicContact OD1-NZ 3.75Å; D646-K732 PolarHBondContact OD1-NZ 3.46Å
647Y35.1Very low42.3Very low23 Ų2388 Ų889%0.0943%0.427CS..  trans-116.9114.3-178.1-69.5-83.5000111Q644 K732 G733Q644-Y647 HydrophobicContact CG-CE2 3.9Å; Q644-Y647 WeakPolarHBondContact CG-OH 3.49Å; Q644-Y647 PolarHBondContact NE2-OH 2.9Å; Y647-K732 WeakPolarHBondContact O-CB 3.49Å; Y647-G733 PolarHBondContact O-N 2.86Å
648D30.1Very low42Very low113 Ų11391.2 Ų91.260%0.60444%0.442SS*.  trans-136.4103.7154.6-86.4-42.9000107.5
649V36.7Very low41.7Very low71 Ų7195.3 Ų95.343%0.4346%0.464SS..  trans-126.1142.9177.1177.80000108.4P734V649-P734 WeakPolarHBondContact O-CA 3.28Å; V649-P734 VanDerWaalsContact O-CB 3.26Å; V649-P734 WeakPolarHBondContact O-CB 3.36Å
650R32.6Very low41.6Very low247 Ų24797.4 Ų97.493%0.93248%0.475SS*.  trans-84.7126.6172.2-69.4175.6175.5173.3-0.9110
651S42.6Very low41.6Very low27 Ų27100.3 Ų100.319%0.18948%0.481CS..  trans-121.1155.8178.9-178.10000112.9T653 S654 E724 P734S651-T653 PolarHBondContact O-N 3.4Å; S651-T653 VanDerWaalsContact O-N 3.14Å; S651-T653 PolarHBondContact OG-N 3.26Å; S651-T653 PolarHBondContact OG-OG1 3.48Å; S651-S654 PolarHBondContact O-N 3.36Å; S651-E724 VanDerWaalsContact CB-OE1 3.24Å; S651-E724 WeakPolarHBondContact CB-OE1 3.38Å; S651-E724 PolarHBondContact OG-OE1 3.02Å; S651-E724 PolarHBondContact OG-OE2 2.87Å; S651-P734 VanDerWaalsContact N-CB 3.33Å
652R47.3Very low41.6Very low184 Ų184103 Ų10369%0.69450%0.495SS*.THydrogen-bonded Turntrans-62.7-10.9171.1-67.1176.1109.6147.91.5113.6S654 K747R652-S654 VanDerWaalsContact C-N 3.3Å; R652-K747 PolarHBondContact O-NZ 2.91Å
653T49.1Very low42.2Very low10 Ų10103.2 Ų103.26%0.06150%0.499CS..THydrogen-bonded Turntrans-75.2-20178.3-36.50000113S651 E724 L735 A744 K747S651-T653 PolarHBondContact O-N 3.4Å; S651-T653 VanDerWaalsContact O-N 3.14Å; S651-T653 PolarHBondContact OG-N 3.26Å; S651-T653 PolarHBondContact OG-OG1 3.48Å; T653-E724 WeakPolarHBondContact CB-OE2 3.37Å; T653-E724 PolarHBondContact OG1-OE2 3.26Å; T653-L735 HydrophobicContact CG2-CD2 3.61Å; T653-A744 HydrophobicContact CG2-CB 3.68Å; T653-K747 HydrophobicContact CG2-CD 4.35Å
654S48.2Very low43Very low8 Ų8101.3 Ų101.36%0.05651%0.509CS..SBendtrans-104.6-0.2-177.2-1740000114.7S651 R652 Q656 T657 P734 K736 D740S651-S654 PolarHBondContact O-N 3.36Å; R652-S654 VanDerWaalsContact C-N 3.3Å; S654-Q656 PolarHBondContact O-N 3.43Å; S654-T657 PolarHBondContact O-N 2.97Å; S654-P734 VanDerWaalsContact CB-O 3.31Å; S654-P734 WeakPolarHBondContact CB-O 3.39Å; S654-P734 PolarHBondContact OG-O 2.98Å; S654-K736 WeakPolarHBondContact OG-CD 3.4Å; S654-K736 WeakPolarHBondContact OG-CE 3.43Å; S654-K736 WeakPolarHBondContact OG-CG 2.99Å; S654-D740 VanDerWaalsContact CB-OD2 3.31Å; S654-D740 WeakPolarHBondContact CB-OD2 3.39Å; S654-D740 PolarHBondContact OG-OD2 3.4Å
655V47.9Very low43.8Very low112 Ų112100.4 Ų100.468%0.67952%0.52SS*.THydrogen-bonded Turntrans-65.7-14.5-168.6178.70000114
656Q40.7Very low45.2Very low178 Ų17897.8 Ų97.883%0.83251%0.508SS*.THydrogen-bonded Turntrans-105.97.4-173.5-72.4-173.5-15.300116S654S654-Q656 PolarHBondContact O-N 3.43Å
657T43.9Very low46.9Very low26 Ų2695 Ų9516%0.1650%0.495CS..  trans-112.597.2172.655.70000110.5S654 N737 D740S654-T657 PolarHBondContact O-N 2.97Å; T657-N737 WeakPolarHBondContact CB-ND2 3.22Å; T657-N737 PolarHBondContact OG1-ND2 2.93Å; T657-D740 PolarHBondContact OG1-OD1 3Å
658E45.8Very low48.6Very low197 Ų19794.3 Ų94.392%0.92149%0.494SS*.  trans-68.7-20.7169-69.7-177.5160.700111.9
659D46.9Very low50.4Low129 Ų12991.4 Ų91.469%0.6948%0.475SS*.SBendtrans-105.7112.6177.1-73.3-36000111.7Q661D659-Q661 VanDerWaalsContact C-N 3.31Å; D659-Q661 PolarHBondContact O-N 2.85Å
660D49Very low51.9Low76 Ų7689.4 Ų89.441%0.40647%0.466SS..  trans-62.898.4156.2-108.3-0.1000107L662 K736D660-L662 VanDerWaalsContact C-N 3.34Å; D660-L662 PolarHBondContact O-N 3.28Å; D660-K736 WeakPolarHBondContact OD1-CB 3.41Å
661Q51.2Low53.8Low126 Ų12680.1 Ų80.159%0.58943%0.434SS*.  trans-61.599.8171.7-70.4-177.34.600108.4D659 I663D659-Q661 VanDerWaalsContact C-N 3.31Å; D659-Q661 PolarHBondContact O-N 2.85Å; Q661-I663 PolarHBondContact O-N 3.31Å
662L48.4Very low55.3Low110 Ų11080.9 Ų80.958%0.57644%0.435SS*.EExtended strand (participates in β ladder)trans-72.2116.7177.6-63174.6000109.2D660 Q666D660-L662 VanDerWaalsContact C-N 3.34Å; D660-L662 PolarHBondContact O-N 3.28Å; L662-Q666 CarbonylContact C-O 3.55Å; L662-Q666 WeakPolarHBondContact CA-O 3.5Å
663I53Low56.5Low92 Ų9274.1 Ų74.147%0.47242%0.419SS..EExtended strand (participates in β ladder)trans-91.2113.9169.1-59.6172.7000106.2Q661 G665 Q666 A668 I671Q661-I663 PolarHBondContact O-N 3.31Å; I663-G665 PolarHBondContact O-N 2.66Å; I663-G665 VanDerWaalsContact O-N 3.14Å; I663-Q666 PolarHBondContact N-O 3.42Å; I663-Q666 PolarHBondContact O-N 2.92Å; I663-Q666 VanDerWaalsContact O-N 3.15Å; I663-A668 HydrophobicContact CD1-CB 4.29Å; I663-I671 HydrophobicContact CB-CD1 3.66Å; I663-I671 HydrophobicContact CD1-CD1 4.49Å; I663-I671 HydrophobicContact CG2-CD1 3.92Å
664A54.3Low57.7Low110 Ų11079.5 Ų79.591%0.90944%0.443SS*.THydrogen-bonded Turntrans50.836-177.500000114.6
665G55.6Low59.1Low58 Ų5880.6 Ų80.660%0.59845%0.448SS*.THydrogen-bonded Turntrans87.4-0176.600000115.8I663I663-G665 PolarHBondContact O-N 2.66Å; I663-G665 VanDerWaalsContact O-N 3.14Å
666Q59.5Low60.5Low74 Ų7479 Ų7935%0.34644%0.44SS..EExtended strand (participates in β ladder)trans-119.7149174.7-68.3-177.6-21.600110.9L662 I663 A670 I671L662-Q666 CarbonylContact C-O 3.55Å; L662-Q666 WeakPolarHBondContact CA-O 3.5Å; I663-Q666 PolarHBondContact N-O 3.42Å; I663-Q666 PolarHBondContact O-N 2.92Å; I663-Q666 VanDerWaalsContact O-N 3.15Å; Q666-A670 HydrophobicContact CB-CB 4.33Å; Q666-I671 HydrophobicContact CB-CD1 4.43Å; Q666-I671 HydrophobicContact CB-CG1 3.93Å
667S66.3Low62.2Low24 Ų2477.6 Ų77.617%0.16843%0.434CS..EExtended strand (participates in β ladder)trans-66.6149.5170.873.40000110R669 A670 I671S667-R669 PolarHBondContact O-N 3.12Å; S667-R669 VanDerWaalsContact O-N 3.16Å; S667-A670 WeakPolarHBondContact O-CB 3.24Å; S667-A670 PolarHBondContact O-N 3.39Å; S667-A670 WeakPolarHBondContact OG-CB 3.33Å; S667-A670 PolarHBondContact OG-N 2.9Å; S667-I671 PolarHBondContact O-N 3.32Å
668A72.3Confident63.8Low8 Ų882.6 Ų82.67%0.06646%0.455CS..Hα-helixtrans-57.1-33.5178.800000112I663 I671 M672 F728I663-A668 HydrophobicContact CD1-CB 4.29Å; A668-I671 PolarHBondContact O-N 3.01Å; A668-M672 WeakPolarHBondContact O-CG 3.38Å; A668-M672 PolarHBondContact O-N 3.07Å; A668-M672 VanDerWaalsContact O-N 3.09Å; A668-F728 HydrophobicContact CB-CE2 4.48Å; A668-F728 HydrophobicContact CB-CZ 3.97Å
669R67Low65.3Low52 Ų5277.7 Ų77.720%0.19643%0.432CS..Hα-helixtrans-61.8-46.2172-171-172.6-62.7-178.81.6112.6S667 I671 M672 A673 F728 G731 G733 P734 L735 K736S667-R669 PolarHBondContact O-N 3.12Å; S667-R669 VanDerWaalsContact O-N 3.16Å; R669-I671 VanDerWaalsContact C-N 3.28Å; R669-I671 PolarHBondContact O-N 3.32Å; R669-M672 PolarHBondContact O-N 2.87Å; R669-A673 PolarHBondContact O-N 3.39Å; R669-F728 HydrophobicContact CB-CE2 4.43Å; R669-G731 WeakPolarHBondContact CD-O 2.84Å; R669-G731 VanDerWaalsContact CG-C 3.48Å; R669-G731 WeakPolarHBondContact CG-O 3.43Å; R669-G731 WeakPolarHBondContact O-CA 3.45Å; R669-G733 PolarHBondContact NH1-O 3.41Å; R669-G733 VanDerWaalsContact NH1-O 3.12Å; R669-G733 PolarHBondContact NH2-O 3.48Å; R669-P734 PolarHBondContact NH2-O 3.4Å; R669-L735 VanDerWaalsContact CZ-O 3.3Å; R669-L735 PolarHBondContact NE-O 3.22Å; R669-L735 PolarHBondContact NH2-O 3.37Å; R669-K736 PolarHBondContact N-O 3.03Å
670A67.9Low66.7Low29 Ų2975.1 Ų75.124%0.2442%0.415CS..Hα-helixtrans-62.4-36.8177.400000111.9Q666 S667 A673 Q674Q666-A670 HydrophobicContact CB-CB 4.33Å; S667-A670 WeakPolarHBondContact O-CB 3.24Å; S667-A670 PolarHBondContact O-N 3.39Å; S667-A670 WeakPolarHBondContact OG-CB 3.33Å; S667-A670 PolarHBondContact OG-N 2.9Å; A670-A673 PolarHBondContact O-N 3.43Å; A670-Q674 WeakPolarHBondContact O-CB 3.37Å; A670-Q674 WeakPolarHBondContact O-CG 3.49Å; A670-Q674 PolarHBondContact O-N 3.01Å
671I73Confident68Low53 Ų5374.1 Ų74.127%0.27242%0.417SS..Hα-helixtrans-62.4-45.8174-64.4171.7000110.7I663 Q666 S667 A668 R669 A673 Q674 L675I663-I671 HydrophobicContact CB-CD1 3.66Å; I663-I671 HydrophobicContact CD1-CD1 4.49Å; I663-I671 HydrophobicContact CG2-CD1 3.92Å; Q666-I671 HydrophobicContact CB-CD1 4.43Å; Q666-I671 HydrophobicContact CB-CG1 3.93Å; S667-I671 PolarHBondContact O-N 3.32Å; A668-I671 PolarHBondContact O-N 3.01Å; R669-I671 VanDerWaalsContact C-N 3.28Å; R669-I671 PolarHBondContact O-N 3.32Å; I671-A673 VanDerWaalsContact C-N 3.31Å; I671-A673 PolarHBondContact O-N 3.43Å; I671-Q674 CarbonylContact O-C 3.46Å; I671-Q674 PolarHBondContact O-N 2.84Å; I671-L675 PolarHBondContact O-N 3.48Å
672M74.1Confident69.4Low43 Ų4373.5 Ų73.521%0.21241%0.413CS..Hα-helixtrans-62.2-38.9176.1-63.6-55.3-7600111.8A668 R669 Q674 L675 I683 F728 T729A668-M672 WeakPolarHBondContact O-CG 3.38Å; A668-M672 PolarHBondContact O-N 3.07Å; A668-M672 VanDerWaalsContact O-N 3.09Å; R669-M672 PolarHBondContact O-N 2.87Å; M672-Q674 PolarHBondContact O-N 3.29Å; M672-L675 HydrophobicContact CB-CD1 4.46Å; M672-L675 HydrophobicContact CE-CD1 3.71Å; M672-L675 WeakPolarHBondContact O-CD1 3.35Å; M672-L675 WeakPolarHBondContact O-CG 3.38Å; M672-L675 PolarHBondContact O-N 2.89Å; M672-L675 HydrophobicContact SD-CD1 3.87Å; M672-I683 HydrophobicContact CE-CD1 4.26Å; M672-F728 HydrophobicContact CG-CE1 4.24Å; M672-T729 VanDerWaalsContact CE-O 3.32Å; M672-T729 WeakPolarHBondContact CE-O 3.15Å
673A72.8Confident70.8Confident42 Ų4270 Ų7035%0.34739%0.394SS..Hα-helixtrans-66.1-23.2174.700000113.1R669 A670 I671 K680R669-A673 PolarHBondContact O-N 3.39Å; A670-A673 PolarHBondContact O-N 3.43Å; I671-A673 VanDerWaalsContact C-N 3.31Å; I671-A673 PolarHBondContact O-N 3.43Å; A673-K680 WeakPolarHBondContact O-CE 3.21Å; A673-K680 PolarHBondContact O-NZ 3.2Å
674Q75Confident71.9Confident123 Ų12368.1 Ų68.158%0.57539%0.392SS*.THydrogen-bonded Turntrans-102.49.3-179.2-69.1-177.318.800114.1A670 I671 M672A670-Q674 WeakPolarHBondContact O-CB 3.37Å; A670-Q674 WeakPolarHBondContact O-CG 3.49Å; A670-Q674 PolarHBondContact O-N 3.01Å; I671-Q674 CarbonylContact O-C 3.46Å; I671-Q674 PolarHBondContact O-N 2.84Å; M672-Q674 PolarHBondContact O-N 3.29Å
675L76.3Confident73.2Confident30 Ų3068.9 Ų68.916%0.15738%0.377CS..  trans-56.3147176.8-70.7169.1000111.9I671 M672 E679 K680 I683I671-L675 PolarHBondContact O-N 3.48Å; M672-L675 HydrophobicContact CB-CD1 4.46Å; M672-L675 HydrophobicContact CE-CD1 3.71Å; M672-L675 WeakPolarHBondContact O-CD1 3.35Å; M672-L675 WeakPolarHBondContact O-CG 3.38Å; M672-L675 PolarHBondContact O-N 2.89Å; M672-L675 HydrophobicContact SD-CD1 3.87Å; L675-E679 HydrophobicContact CB-CB 4.43Å; L675-E679 WeakPolarHBondContact CD2-OE2 3.43Å; L675-K680 HydrophobicContact CB-CG 4.02Å; L675-K680 WeakPolarHBondContact O-CE 3.35Å; L675-I683 HydrophobicContact CD1-CD1 3.56Å
676P78.3Confident74.3Confident80 Ų8071.9 Ų71.952%0.51938%0.375SS..  trans-52.6145173.1-24.733.4000111.9E678 E679 K680P676-E678 PolarHBondContact O-N 2.87Å; P676-E678 VanDerWaalsContact O-N 3.1Å; P676-E679 PolarHBondContact O-N 3.35Å; P676-K680 PolarHBondContact O-N 3.49Å
677Q76.1Confident75.2Confident147 Ų14768.9 Ų68.969%0.68736%0.362SS*.Hα-helixtrans-56.6-33.2-175.3-167.664.8800113.2K680 A681Q677-K680 PolarHBondContact O-N 2.88Å; Q677-A681 WeakPolarHBondContact O-CB 3.42Å; Q677-A681 PolarHBondContact O-N 3.48Å
678E76.6Confident75.8Confident132 Ų13272.8 Ų72.862%0.61738%0.378SS*.Hα-helixtrans-65.5-38.1175.8-164.1-166.4147.500112.4P676 K682P676-E678 PolarHBondContact O-N 2.87Å; P676-E678 VanDerWaalsContact O-N 3.1Å; E678-K682 WeakPolarHBondContact O-CG 3.03Å; E678-K682 PolarHBondContact O-N 2.91Å; E678-K682 WeakPolarHBondContact OE1-CE 3.41Å; E678-K682 IonicContact OE1-NZ 2.77Å; E678-K682 PolarHBondContact OE1-NZ 2.9Å
679E78.5Confident76.2Confident93 Ų9376.2 Ų76.244%0.43539%0.394SS..Hα-helixtrans-73.8-40.3176.7-65.9-171.2164.200111.1L675 P676 A681 K682 I683L675-E679 HydrophobicContact CB-CB 4.43Å; L675-E679 WeakPolarHBondContact CD2-OE2 3.43Å; P676-E679 PolarHBondContact O-N 3.35Å; E679-A681 VanDerWaalsContact C-N 3.31Å; E679-A681 PolarHBondContact O-N 3.45Å; E679-K682 PolarHBondContact O-N 3.15Å; E679-I683 WeakPolarHBondContact O-CG1 3.47Å; E679-I683 PolarHBondContact O-N 3.35Å
680K75.4Confident77Confident76 Ų7676.2 Ų76.233%0.3340%0.396SS..Hα-helixtrans-58.3-42.3172.1-72.9-176.4174.2178.40112.2A673 L675 P676 Q677 I683 A684A673-K680 WeakPolarHBondContact O-CE 3.21Å; A673-K680 PolarHBondContact O-NZ 3.2Å; L675-K680 HydrophobicContact CB-CG 4.02Å; L675-K680 WeakPolarHBondContact O-CE 3.35Å; P676-K680 PolarHBondContact O-N 3.49Å; Q677-K680 PolarHBondContact O-N 2.88Å; K680-I683 PolarHBondContact O-N 3.16Å; K680-A684 WeakPolarHBondContact O-CB 3.3Å; K680-A684 PolarHBondContact O-N 2.94Å
681A77.2Confident77.6Confident55 Ų5575.6 Ų75.646%0.45539%0.388SS..Hα-helixtrans-63.2-4217700000112Q677 E679 A684 E685Q677-A681 WeakPolarHBondContact O-CB 3.42Å; Q677-A681 PolarHBondContact O-N 3.48Å; E679-A681 VanDerWaalsContact C-N 3.31Å; E679-A681 PolarHBondContact O-N 3.45Å; A681-A684 PolarHBondContact O-N 3.41Å; A681-E685 PolarHBondContact O-N 3.39Å
682K80.6Confident77.9Confident112 Ų11277.7 Ų77.749%0.48740%0.397SS..Hα-helixtrans-64.3-40174.7-71.7170.6-171.6162.10112.2E678 E679 Q686E678-K682 WeakPolarHBondContact O-CG 3.03Å; E678-K682 PolarHBondContact O-N 2.91Å; E678-K682 WeakPolarHBondContact OE1-CE 3.41Å; E678-K682 IonicContact OE1-NZ 2.77Å; E678-K682 PolarHBondContact OE1-NZ 2.9Å; E679-K682 PolarHBondContact O-N 3.15Å; K682-Q686 WeakPolarHBondContact O-CG 3.34Å; K682-Q686 PolarHBondContact O-N 3.14Å
683I77.2Confident78.3Confident36 Ų3680.9 Ų80.919%0.18541%0.411CS..Hα-helixtrans-63.6-47.6174.2-68.8168.8000109.5M672 L675 E679 K680 E685 Q686 V687 R730M672-I683 HydrophobicContact CE-CD1 4.26Å; L675-I683 HydrophobicContact CD1-CD1 3.56Å; E679-I683 WeakPolarHBondContact O-CG1 3.47Å; E679-I683 PolarHBondContact O-N 3.35Å; K680-I683 PolarHBondContact O-N 3.16Å; I683-E685 VanDerWaalsContact C-N 3.34Å; I683-E685 PolarHBondContact O-N 3.03Å; I683-Q686 PolarHBondContact O-N 2.96Å; I683-Q686 VanDerWaalsContact O-N 3.1Å; I683-V687 HydrophobicContact CG2-CG2 3.88Å; I683-V687 WeakPolarHBondContact O-CB 3.47Å; I683-V687 WeakPolarHBondContact O-CG2 3.28Å; I683-V687 PolarHBondContact O-N 3.18Å; I683-R730 HydrophobicContact CG2-CG 4.24Å
684A75.6Confident78.8Confident53 Ų5381.3 Ų81.344%0.43841%0.405SS..Hα-helixtrans-58-42.8179.200000112.5K680 A681 Q686 V687 E688K680-A684 WeakPolarHBondContact O-CB 3.3Å; K680-A684 PolarHBondContact O-N 2.94Å; A681-A684 PolarHBondContact O-N 3.41Å; A684-Q686 PolarHBondContact O-N 3.09Å; A684-V687 WeakPolarHBondContact O-CB 3.35Å; A684-V687 PolarHBondContact O-N 3.41Å; A684-E688 WeakPolarHBondContact O-CB 3.4Å; A684-E688 PolarHBondContact O-N 3.38Å
685E81.3Confident78.9Confident126 Ų12678.8 Ų78.859%0.58940%0.401SS*.Hα-helixtrans-61.3-42.1174.7-172.4-174.5-176.500112.2A681 I683 E688 I689A681-E685 PolarHBondContact O-N 3.39Å; I683-E685 VanDerWaalsContact C-N 3.34Å; I683-E685 PolarHBondContact O-N 3.03Å; E685-E688 PolarHBondContact O-N 3.15Å; E685-I689 WeakPolarHBondContact O-CG1 3.28Å; E685-I689 PolarHBondContact O-N 3.01Å
686Q80.2Confident79.1Confident121 Ų12183.3 Ų83.357%0.56542%0.419SS*.Hα-helixtrans-68.9-35.7175.7-67.7-61.8-65.400112.5K682 I683 A684 E688 I689 F690K682-Q686 WeakPolarHBondContact O-CG 3.34Å; K682-Q686 PolarHBondContact O-N 3.14Å; I683-Q686 PolarHBondContact O-N 2.96Å; I683-Q686 VanDerWaalsContact O-N 3.1Å; A684-Q686 PolarHBondContact O-N 3.09Å; Q686-E688 VanDerWaalsContact C-N 3.35Å; Q686-I689 PolarHBondContact O-N 3.29Å; Q686-F690 WeakPolarHBondContact O-CB 3.48Å; Q686-F690 PolarHBondContact O-N 3.14Å
687V78.1Confident79.3Confident12 Ų1282.5 Ų82.57%0.07341%0.41CS..Hα-helixtrans-64.3-42.3176172.10000109.9I683 A684 F690 H691 T726 R730I683-V687 HydrophobicContact CG2-CG2 3.88Å; I683-V687 WeakPolarHBondContact O-CB 3.47Å; I683-V687 WeakPolarHBondContact O-CG2 3.28Å; I683-V687 PolarHBondContact O-N 3.18Å; A684-V687 WeakPolarHBondContact O-CB 3.35Å; A684-V687 PolarHBondContact O-N 3.41Å; V687-F690 CarbonylContact O-C 3.59Å; V687-F690 WeakPolarHBondContact O-CA 3.4Å; V687-F690 WeakPolarHBondContact O-CB 3.34Å; V687-F690 PolarHBondContact O-N 3.22Å; V687-H691 VanDerWaalsContact CG1-CE1 3.4Å; V687-H691 WeakPolarHBondContact CG1-CE1 3.45Å; V687-H691 WeakPolarHBondContact CG1-ND1 3.2Å; V687-H691 PolarHBondContact O-N 2.97Å; V687-H691 PolarHBondContact O-ND1 2.97Å; V687-T726 HydrophobicContact CB-CG2 4.29Å; V687-T726 HydrophobicContact CG1-CG2 3.91Å; V687-T726 HydrophobicContact CG2-CG2 3.74Å; V687-R730 HydrophobicContact CG2-CG 4.34Å
688E77.4Confident79.3Confident106 Ų10677.3 Ų77.350%0.49539%0.387SS..Hα-helixtrans-61.4-46.3176.117952.5-142.900111.5A684 E685 Q686 F690 H691 Q692A684-E688 WeakPolarHBondContact O-CB 3.4Å; A684-E688 PolarHBondContact O-N 3.38Å; E685-E688 PolarHBondContact O-N 3.15Å; Q686-E688 VanDerWaalsContact C-N 3.35Å; E688-F690 VanDerWaalsContact C-N 3.27Å; E688-F690 PolarHBondContact O-N 3.44Å; E688-H691 PolarHBondContact O-N 2.65Å; E688-H691 VanDerWaalsContact O-N 3.13Å; E688-Q692 WeakPolarHBondContact O-CG 3.45Å; E688-Q692 PolarHBondContact O-N 3Å; E688-Q692 PolarHBondContact OE1-NE2 2.96Å
689I82.6Confident79.2Confident79 Ų7973.1 Ų73.141%0.40538%0.375SS..Hα-helixtrans-60.2-40.3174-64.9164.9000111E685 Q686 Q692 E693E685-I689 WeakPolarHBondContact O-CG1 3.28Å; E685-I689 PolarHBondContact O-N 3.01Å; Q686-I689 PolarHBondContact O-N 3.29Å; I689-Q692 PolarHBondContact O-N 2.89Å; I689-E693 PolarHBondContact O-N 3.23Å; I689-E693 VanDerWaalsContact O-N 3.08Å
690F82.1Confident79.2Confident52 Ų5272.9 Ų72.923%0.22837%0.374CS..Hα-helixtrans-64-40.2175.7173.2-97000111.9Q686 V687 E688 E693 K694 M722 M723 T726Q686-F690 WeakPolarHBondContact O-CB 3.48Å; Q686-F690 PolarHBondContact O-N 3.14Å; V687-F690 CarbonylContact O-C 3.59Å; V687-F690 WeakPolarHBondContact O-CA 3.4Å; V687-F690 WeakPolarHBondContact O-CB 3.34Å; V687-F690 PolarHBondContact O-N 3.22Å; E688-F690 VanDerWaalsContact C-N 3.27Å; E688-F690 PolarHBondContact O-N 3.44Å; F690-E693 PolarHBondContact O-N 3.41Å; F690-K694 WeakPolarHBondContact O-CB 3.43Å; F690-K694 PolarHBondContact O-N 3.38Å; F690-M722 HydrophobicContact CE2-CB 3.99Å; F690-M722 HydrophobicContact CE2-SD 4.49Å; F690-M722 HydrophobicContact CZ-CB 3.69Å; F690-M723 HydrophobicContact CD1-SD 4.47Å; F690-M723 HydrophobicContact CE1-CG 4.46Å; F690-M723 HydrophobicContact CE1-SD 3.55Å; F690-M723 VanDerWaalsContact CE1-SD 3.55Å; F690-M723 HydrophobicContact CZ-SD 4.3Å; F690-T726 HydrophobicContact CD1-CG2 3.92Å; F690-T726 HydrophobicContact CE1-CG2 4.21Å; F690-T726 WeakPolarHBondContact CE1-OG1 3.37Å
691H80.9Confident79.3Confident17 Ų1769.8 Ų69.88%0.07936%0.362CS..Hα-helixtrans-64.6-40.7176.1-78.362.4000111.4Q644 V687 E688 E693 K694 S695Q644-H691 PolarHBondContact NE2-CD2 3.33Å; Q644-H691 PolarHBondContact NE2-NE2 3.32Å; Q644-H691 VanDerWaalsContact NE2-NE2 3.14Å; Q644-H691 PolarHBondContact OE1-CD2 3.25Å; Q644-H691 PolarHBondContact OE1-NE2 3.23Å; V687-H691 VanDerWaalsContact CG1-CE1 3.4Å; V687-H691 WeakPolarHBondContact CG1-CE1 3.45Å; V687-H691 WeakPolarHBondContact CG1-ND1 3.2Å; V687-H691 PolarHBondContact O-N 2.97Å; V687-H691 PolarHBondContact O-ND1 2.97Å; E688-H691 PolarHBondContact O-N 2.65Å; E688-H691 VanDerWaalsContact O-N 3.13Å; H691-E693 VanDerWaalsContact C-N 3.3Å; H691-E693 PolarHBondContact O-N 2.92Å; H691-K694 WeakPolarHBondContact O-CB 3.38Å; H691-K694 PolarHBondContact O-N 2.83Å; H691-S695 PolarHBondContact O-N 2.72Å; H691-S695 PolarHBondContact O-OG 2.81Å; H691-S695 VanDerWaalsContact O-OG 3.04Å
692Q79.5Confident79Confident97 Ų9769.1 Ų69.145%0.45336%0.356SS..Hα-helixtrans-60.9-39.3173.6-68.2170.718.200112.3E688 I689 K696E688-Q692 WeakPolarHBondContact O-CG 3.45Å; E688-Q692 PolarHBondContact O-N 3Å; E688-Q692 PolarHBondContact OE1-NE2 2.96Å; I689-Q692 PolarHBondContact O-N 2.89Å; Q692-K696 WeakPolarHBondContact O-CG 3.4Å; Q692-K696 PolarHBondContact O-N 2.84Å
693E83.2Confident78.8Confident110 Ų11070.2 Ų70.251%0.51436%0.361SS..Hα-helixtrans-73.1-36.5177-158.266.5-171.700112I689 F690 H691 K696 L697I689-E693 PolarHBondContact O-N 3.23Å; I689-E693 VanDerWaalsContact O-N 3.08Å; F690-E693 PolarHBondContact O-N 3.41Å; H691-E693 VanDerWaalsContact C-N 3.3Å; H691-E693 PolarHBondContact O-N 2.92Å; E693-K696 WeakPolarHBondContact O-CB 3.46Å; E693-K696 PolarHBondContact O-N 3.34Å; E693-K696 IonicContact OE2-NZ 2.59Å; E693-K696 PolarHBondContact OE2-NZ 3.04Å; E693-L697 PolarHBondContact O-N 3.09Å
694K82.3Confident78.7Confident51 Ų5175.3 Ų75.322%0.22238%0.378CS..Hα-helixtrans-59.2-46.6171-174.5-139.2-179-113.80110.7F690 H691 K696 L697 D698 M723F690-K694 WeakPolarHBondContact O-CB 3.43Å; F690-K694 PolarHBondContact O-N 3.38Å; H691-K694 WeakPolarHBondContact O-CB 3.38Å; H691-K694 PolarHBondContact O-N 2.83Å; K694-K696 VanDerWaalsContact C-N 3.26Å; K694-K696 PolarHBondContact O-N 3.33Å; K694-L697 CarbonylContact O-C 3.56Å; K694-L697 WeakPolarHBondContact O-CA 3.36Å; K694-L697 WeakPolarHBondContact O-CB 3.37Å; K694-L697 PolarHBondContact O-N 3Å; K694-D698 WeakPolarHBondContact CE-OD2 3.48Å; K694-D698 IonicContact NZ-OD2 2.87Å; K694-D698 PolarHBondContact NZ-OD2 3.36Å; K694-D698 PolarHBondContact O-N 3.24Å; K694-M723 HydrophobicContact CD-SD 3.64Å; K694-M723 HydrophobicContact CG-SD 4.24Å
695S77.3Confident78.5Confident70 Ų7078 Ų7849%0.4939%0.385SS..Hα-helixtrans-59.9-35.7176.6-59.90000112.4H691 A699H691-S695 PolarHBondContact O-N 2.72Å; H691-S695 PolarHBondContact O-OG 2.81Å; H691-S695 VanDerWaalsContact O-OG 3.04Å; S695-A699 VanDerWaalsContact O-CB 3.29Å; S695-A699 WeakPolarHBondContact O-CB 3.46Å; S695-A699 PolarHBondContact O-N 2.99Å
696K81.6Confident78Confident125 Ų12574.6 Ų74.654%0.54337%0.371SS..Hα-helixtrans-67.7-39172.8-66.4173.4-159.5158.70112.3Q692 E693 K694 E700Q692-K696 WeakPolarHBondContact O-CG 3.4Å; Q692-K696 PolarHBondContact O-N 2.84Å; E693-K696 WeakPolarHBondContact O-CB 3.46Å; E693-K696 PolarHBondContact O-N 3.34Å; E693-K696 IonicContact OE2-NZ 2.59Å; E693-K696 PolarHBondContact OE2-NZ 3.04Å; K694-K696 VanDerWaalsContact C-N 3.26Å; K694-K696 PolarHBondContact O-N 3.33Å; K696-E700 WeakPolarHBondContact O-CB 3.46Å; K696-E700 PolarHBondContact O-N 3.43Å
697L81.3Confident77.2Confident63 Ų6372.5 Ų72.533%0.3337%0.37SS..Hα-helixtrans-63.9-47.8175.1176.864.3000110.7E693 K694 A699 E700 V701 C719E693-L697 PolarHBondContact O-N 3.09Å; K694-L697 CarbonylContact O-C 3.56Å; K694-L697 WeakPolarHBondContact O-CA 3.36Å; K694-L697 WeakPolarHBondContact O-CB 3.37Å; K694-L697 PolarHBondContact O-N 3Å; L697-A699 VanDerWaalsContact C-N 3.34Å; L697-A699 PolarHBondContact O-N 3.06Å; L697-E700 PolarHBondContact O-N 3.28Å; L697-E700 VanDerWaalsContact O-N 3.13Å; L697-V701 HydrophobicContact CD1-CG2 3.99Å; L697-V701 HydrophobicContact CG-CG2 4.32Å; L697-V701 WeakPolarHBondContact O-CB 3.25Å; L697-V701 WeakPolarHBondContact O-CG2 3.45Å; L697-V701 PolarHBondContact O-N 3.03Å; L697-C719 HydrophobicContact CD2-CB 3.68Å
698D76.3Confident76.8Confident37 Ų3775.5 Ų75.520%0.19840%0.403CS..Hα-helixtrans-60.4-44.7179.3-66.8-22.3000110.6P633 K694 E700 V701 A702P633-D698 HydrophobicContact CG-CB 3.64Å; K694-D698 WeakPolarHBondContact CE-OD2 3.48Å; K694-D698 IonicContact NZ-OD2 2.87Å; K694-D698 PolarHBondContact NZ-OD2 3.36Å; K694-D698 PolarHBondContact O-N 3.24Å; D698-E700 VanDerWaalsContact C-N 3.31Å; D698-E700 PolarHBondContact O-N 3.47Å; D698-V701 PolarHBondContact O-N 3.19Å; D698-A702 VanDerWaalsContact O-CB 3.24Å; D698-A702 WeakPolarHBondContact O-CB 3.41Å; D698-A702 PolarHBondContact O-N 3.34Å
699A74.1Confident76.9Confident45 Ų4573 Ų7337%0.37239%0.393SS..Hα-helixtrans-64.1-31175.600000113.5S695 L697 K703S695-A699 VanDerWaalsContact O-CB 3.29Å; S695-A699 WeakPolarHBondContact O-CB 3.46Å; S695-A699 PolarHBondContact O-N 2.99Å; L697-A699 VanDerWaalsContact C-N 3.34Å; L697-A699 PolarHBondContact O-N 3.06Å; A699-K703 WeakPolarHBondContact O-CE 3.21Å; A699-K703 WeakPolarHBondContact O-CG 3.39Å
700E79.1Confident76.9Confident87 Ų8774 Ų7441%0.40740%0.4SS..Hα-helixtrans-77.5-42.8175-172.560.9-149.600111.5K696 L697 D698 K703 W704K696-E700 WeakPolarHBondContact O-CB 3.46Å; K696-E700 PolarHBondContact O-N 3.43Å; L697-E700 PolarHBondContact O-N 3.28Å; L697-E700 VanDerWaalsContact O-N 3.13Å; D698-E700 VanDerWaalsContact C-N 3.31Å; D698-E700 PolarHBondContact O-N 3.47Å; E700-K703 WeakPolarHBondContact O-CB 3.29Å; E700-K703 PolarHBondContact O-N 2.87Å; E700-K703 IonicContact OE2-NZ 2.83Å; E700-K703 PolarHBondContact OE2-NZ 2.69Å; E700-W704 PolarHBondContact O-NE1 3.47Å; E700-W704 PolarHBondContact OE1-NE1 2.85Å
701V76.7Confident77Confident11 Ų1174 Ų747%0.06740%0.401CS..Hα-helixtrans-64-39.1178.3157.90000111.6L697 D698 K703 W704 I712 A715 K716L697-V701 HydrophobicContact CD1-CG2 3.99Å; L697-V701 HydrophobicContact CG-CG2 4.32Å; L697-V701 WeakPolarHBondContact O-CB 3.25Å; L697-V701 WeakPolarHBondContact O-CG2 3.45Å; L697-V701 PolarHBondContact O-N 3.03Å; D698-V701 PolarHBondContact O-N 3.19Å; V701-K703 PolarHBondContact O-N 3.44Å; V701-K703 VanDerWaalsContact O-N 3.17Å; V701-W704 PolarHBondContact O-N 2.97Å; V701-W704 VanDerWaalsContact O-N 3.1Å; V701-I712 HydrophobicContact CG1-CG2 3.72Å; V701-A715 HydrophobicContact CG2-CB 4.29Å; V701-K716 HydrophobicContact CG1-CD 4.05Å; V701-K716 HydrophobicContact CG1-CG 3.72Å
702A71.9Confident76.9Confident42 Ų4273.9 Ų73.935%0.34740%0.401SS..THydrogen-bonded Turntrans-62.5-20.2179.300000113.8T632 D698 W704T632-A702 HydrophobicContact CG2-CB 4.49Å; D698-A702 VanDerWaalsContact O-CB 3.24Å; D698-A702 WeakPolarHBondContact O-CB 3.41Å; D698-A702 PolarHBondContact O-N 3.34Å; A702-W704 PolarHBondContact O-N 3.07Å
703K75.9Confident76.8Confident134 Ų13472.2 Ų72.258%0.58340%0.398SS*.THydrogen-bonded Turntrans-71.4-15.4176.2-62.5169.4-171.7170.90113.3A699 E700 V701A699-K703 WeakPolarHBondContact O-CE 3.21Å; A699-K703 WeakPolarHBondContact O-CG 3.39Å; E700-K703 WeakPolarHBondContact O-CB 3.29Å; E700-K703 PolarHBondContact O-N 2.87Å; E700-K703 IonicContact OE2-NZ 2.83Å; E700-K703 PolarHBondContact OE2-NZ 2.69Å; V701-K703 PolarHBondContact O-N 3.44Å; V701-K703 VanDerWaalsContact O-N 3.17Å
704W74.7Confident76.8Confident143 Ų14367.4 Ų67.454%0.54238%0.375SS..SBendtrans-123.1134.2-168.8-52.7104.1000110.9E700 V701 A702 I712E700-W704 PolarHBondContact O-NE1 3.47Å; E700-W704 PolarHBondContact OE1-NE1 2.85Å; V701-W704 PolarHBondContact O-N 2.97Å; V701-W704 VanDerWaalsContact O-N 3.1Å; A702-W704 PolarHBondContact O-N 3.07Å; W704-I712 HydrophobicContact CB-CD1 3.8Å; W704-I712 HydrophobicContact CB-CG1 3.93Å; W704-I712 HydrophobicContact CG-CD1 4.05Å
705D72.5Confident76.9Confident109 Ų10965.8 Ų65.858%0.58337%0.371SS*.  trans-66.5136168.9174.533.7000110.7S707 N709D705-S707 WeakPolarHBondContact OD1-CB 3.27Å; D705-S707 PolarHBondContact OD1-N 3.4Å; D705-S707 VanDerWaalsContact OD1-N 3.14Å; D705-S707 PolarHBondContact OD1-OG 3.39Å; D705-S707 WeakPolarHBondContact OD2-CB 3.45Å; D705-N709 WeakPolarHBondContact O-CB 3.32Å
706D70Confident76.9Confident55 Ų5565 Ų6529%0.29436%0.359SS..SBendtrans-95.6-12.4-179.156.6-1.6000113.9G708 N709 I712 V713 K716D706-G708 PolarHBondContact O-N 3.11Å; D706-N709 PolarHBondContact O-N 2.88Å; D706-N709 VanDerWaalsContact O-N 3.15Å; D706-I712 HydrophobicContact CB-CB 4.24Å; D706-I712 HydrophobicContact CB-CG2 3.88Å; D706-V713 HydrophobicContact CB-CG2 4.01Å; D706-K716 IonicContact OD2-NZ 3.94Å; D706-K716 PolarHBondContact OD2-NZ 3.49Å
707S63.5Low76.9Confident77 Ų7762.3 Ų62.354%0.53835%0.348SS..THydrogen-bonded Turntrans-56.8-22.9-177.5-48.50000114.8D705D705-S707 WeakPolarHBondContact OD1-CB 3.27Å; D705-S707 PolarHBondContact OD1-N 3.4Å; D705-S707 VanDerWaalsContact OD1-N 3.14Å; D705-S707 PolarHBondContact OD1-OG 3.39Å; D705-S707 WeakPolarHBondContact OD2-CB 3.45Å
708G70.5Confident77Confident76 Ų7660.9 Ų60.978%0.78434%0.34SS*.THydrogen-bonded Turntrans-134.311.9176.200000114.2D706D706-G708 PolarHBondContact O-N 3.11Å
709N78.6Confident77.4Confident53 Ų5359.6 Ų59.628%0.28333%0.334SS..  trans-125.782-171.6-164.3-16.2000111.4D705 D706 I711 I712 V713D705-N709 WeakPolarHBondContact O-CB 3.32Å; D706-N709 PolarHBondContact O-N 2.88Å; D706-N709 VanDerWaalsContact O-N 3.15Å; N709-I711 PolarHBondContact O-N 2.83Å; N709-I711 WeakPolarHBondContact OD1-CB 3.24Å; N709-I711 PolarHBondContact OD1-N 3.36Å; N709-I712 HydrophobicContact CB-CB 4.36Å; N709-I712 HydrophobicContact CB-CG1 3.98Å; N709-I712 WeakPolarHBondContact ND2-CG1 3.44Å; N709-I712 WeakPolarHBondContact O-CB 3.49Å; N709-I712 PolarHBondContact O-N 3.32Å; N709-V713 PolarHBondContact O-N 3.21Å
710D82.7Confident77.6Confident101 Ų10159.8 Ų59.854%0.5433%0.328SS..Hα-helixtrans-55-23.2177.6-72.4-34.3000113.3I712 L714 L758D710-I712 VanDerWaalsContact C-N 3.35Å; D710-L714 VanDerWaalsContact O-CB 3.31Å; D710-L714 WeakPolarHBondContact O-CB 3.5Å; D710-L714 WeakPolarHBondContact O-CD1 3.48Å; D710-L714 WeakPolarHBondContact O-CG 3.49Å; D710-L714 PolarHBondContact O-N 3.46Å; D710-L758 HydrophobicContact CB-CD1 3.37Å; D710-L758 HydrophobicContact CB-CD2 4.2Å; D710-L758 HydrophobicContact CB-CG 4.42Å
711I84.3Confident77.7Confident51 Ų5155.8 Ų55.826%0.26231%0.309SS..Hα-helixtrans-65.5-41.4174.5-62.4176000110.2N709 L714 A715 M755 L758N709-I711 PolarHBondContact O-N 2.83Å; N709-I711 WeakPolarHBondContact OD1-CB 3.24Å; N709-I711 PolarHBondContact OD1-N 3.36Å; I711-L714 PolarHBondContact O-N 3.07Å; I711-A715 WeakPolarHBondContact O-CB 3.42Å; I711-A715 PolarHBondContact O-N 2.9Å; I711-M755 HydrophobicContact CG1-CG 4.45Å; I711-M755 HydrophobicContact CG2-CE 4.35Å; I711-M755 HydrophobicContact CG2-CG 4Å; I711-M755 HydrophobicContact CG2-SD 4.22Å; I711-L758 HydrophobicContact CD1-CB 4.16Å; I711-L758 HydrophobicContact CG1-CB 3.84Å; I711-L758 HydrophobicContact CG1-CD1 3.98Å
712I80.1Confident78.1Confident15 Ų1558.6 Ų58.68%0.07732%0.322CS..Hα-helixtrans-67.6-45.6177.9-60.4-62.8000110.3V701 W704 D706 N709 D710 L714 A715 K716V701-I712 HydrophobicContact CG1-CG2 3.72Å; W704-I712 HydrophobicContact CB-CD1 3.8Å; W704-I712 HydrophobicContact CB-CG1 3.93Å; W704-I712 HydrophobicContact CG-CD1 4.05Å; D706-I712 HydrophobicContact CB-CB 4.24Å; D706-I712 HydrophobicContact CB-CG2 3.88Å; N709-I712 HydrophobicContact CB-CB 4.36Å; N709-I712 HydrophobicContact CB-CG1 3.98Å; N709-I712 WeakPolarHBondContact ND2-CG1 3.44Å; N709-I712 WeakPolarHBondContact O-CB 3.49Å; N709-I712 PolarHBondContact O-N 3.32Å; D710-I712 VanDerWaalsContact C-N 3.35Å; I712-L714 VanDerWaalsContact C-N 3.31Å; I712-L714 PolarHBondContact O-N 2.8Å; I712-A715 PolarHBondContact O-N 2.9Å; I712-K716 HydrophobicContact CG2-CD 4.41Å; I712-K716 WeakPolarHBondContact O-CB 3.43Å; I712-K716 WeakPolarHBondContact O-CG 3.46Å; I712-K716 PolarHBondContact O-N 3.36Å
713V77.5Confident78.5Confident62 Ų6257.6 Ų57.638%0.37631%0.311SS..Hα-helixtrans-57.2-44.5175.6179.40000111.2D706 N709 Q717D706-V713 HydrophobicContact CB-CG2 4.01Å; N709-V713 PolarHBondContact O-N 3.21Å; V713-Q717 WeakPolarHBondContact O-CB 3.45Å; V713-Q717 PolarHBondContact O-N 3.09Å
714L82Confident78.8Confident9 Ų951.9 Ų51.95%0.04729%0.286CS..Hα-helixtrans-67.7-38.8177.5-71.3168.8000112.4D710 I711 I712 Q717 M718 A751 R754 M755 L758D710-L714 VanDerWaalsContact O-CB 3.31Å; D710-L714 WeakPolarHBondContact O-CB 3.5Å; D710-L714 WeakPolarHBondContact O-CD1 3.48Å; D710-L714 WeakPolarHBondContact O-CG 3.49Å; D710-L714 PolarHBondContact O-N 3.46Å; I711-L714 PolarHBondContact O-N 3.07Å; I712-L714 VanDerWaalsContact C-N 3.31Å; I712-L714 PolarHBondContact O-N 2.8Å; L714-Q717 PolarHBondContact O-N 3.38Å; L714-M718 WeakPolarHBondContact O-CB 3.45Å; L714-M718 VanDerWaalsContact O-CG 3.24Å; L714-M718 WeakPolarHBondContact O-CG 3.36Å; L714-M718 PolarHBondContact O-N 3.22Å; L714-A751 HydrophobicContact CD2-CB 4Å; L714-R754 HydrophobicContact CD1-CB 3.71Å; L714-R754 HydrophobicContact CD2-CB 4.2Å; L714-M755 HydrophobicContact CB-CE 3.71Å; L714-M755 HydrophobicContact CD1-CB 4.03Å; L714-L758 HydrophobicContact CD1-CD1 3.74Å
715A83.6Confident79.2Confident16 Ų1647.4 Ų47.413%0.13227%0.272CS..Hα-helixtrans-62.3-47.2176.600000111.2V701 I711 I712 Q717 M718 C719 M755V701-A715 HydrophobicContact CG2-CB 4.29Å; I711-A715 WeakPolarHBondContact O-CB 3.42Å; I711-A715 PolarHBondContact O-N 2.9Å; I712-A715 PolarHBondContact O-N 2.9Å; A715-Q717 PolarHBondContact O-N 3.49Å; A715-M718 PolarHBondContact O-N 3.45Å; A715-C719 WeakPolarHBondContact O-CB 3.22Å; A715-C719 PolarHBondContact O-N 2.94Å; A715-M755 HydrophobicContact CB-CE 4.02Å
716K78.2Confident79.6Confident55 Ų5543.1 Ų43.124%0.23925%0.25CC..Hα-helixtrans-56.5-48.3172.9-77.5-173.2-176.6-178.70111.7Y566 V701 D706 I712 M718 C719 M720Y566-K716 HydrophobicContact CE2-CD 4.14Å; Y566-K716 WeakPolarHBondContact OH-CB 3.45Å; V701-K716 HydrophobicContact CG1-CD 4.05Å; V701-K716 HydrophobicContact CG1-CG 3.72Å; D706-K716 IonicContact OD2-NZ 3.94Å; D706-K716 PolarHBondContact OD2-NZ 3.49Å; I712-K716 HydrophobicContact CG2-CD 4.41Å; I712-K716 WeakPolarHBondContact O-CB 3.43Å; I712-K716 WeakPolarHBondContact O-CG 3.46Å; I712-K716 PolarHBondContact O-N 3.36Å; K716-M718 PolarHBondContact O-N 3.39Å; K716-C719 PolarHBondContact O-N 3.36Å; K716-M720 PolarHBondContact O-N 2.94Å
717Q80.5Confident79.7Confident67 Ų6741.1 Ų41.131%0.31324%0.239SC..Hα-helixtrans-59.7-45.6176.7-176.6179.327.400112.4V713 L714 A715 M720 I721V713-Q717 WeakPolarHBondContact O-CB 3.45Å; V713-Q717 PolarHBondContact O-N 3.09Å; L714-Q717 PolarHBondContact O-N 3.38Å; A715-Q717 PolarHBondContact O-N 3.49Å; Q717-M720 PolarHBondContact O-N 2.95Å; Q717-I721 HydrophobicContact CG-CD1 4.26Å; Q717-I721 WeakPolarHBondContact O-CG1 3.39Å; Q717-I721 PolarHBondContact O-N 2.84Å
718M85Confident80.5Confident34 Ų3438.3 Ų38.317%0.16722%0.217CC..Hα-helixtrans-65-43179.2-72.7171.271.200111.5L714 A715 K716 M720 I721 M722 I748 A751 M755L714-M718 WeakPolarHBondContact O-CB 3.45Å; L714-M718 VanDerWaalsContact O-CG 3.24Å; L714-M718 WeakPolarHBondContact O-CG 3.36Å; L714-M718 PolarHBondContact O-N 3.22Å; A715-M718 PolarHBondContact O-N 3.45Å; K716-M718 PolarHBondContact O-N 3.39Å; M718-M720 VanDerWaalsContact C-N 3.31Å; M718-M720 PolarHBondContact O-N 3.05Å; M718-I721 PolarHBondContact O-N 3.48Å; M718-M722 HydrophobicContact CB-CE 4.46Å; M718-M722 HydrophobicContact CE-CE 4.38Å; M718-M722 VanDerWaalsContact O-CG 3.32Å; M718-M722 WeakPolarHBondContact O-CG 3.27Å; M718-M722 PolarHBondContact O-N 3.26Å; M718-I748 HydrophobicContact CE-CG2 3.59Å; M718-I748 HydrophobicContact CG-CG2 4.31Å; M718-A751 HydrophobicContact CG-CB 3.49Å; M718-A751 VanDerWaalsContact CG-CB 3.49Å; M718-A751 HydrophobicContact SD-CB 3.86Å; M718-M755 HydrophobicContact SD-CE 3.92Å
719C84.8Confident80.9Confident10 Ų1037 Ų377%0.06819%0.194CC..Hα-helixtrans-57.4-45.3176.5-173.40000111.4L697 A715 K716 I721 M722 M723L697-C719 HydrophobicContact CD2-CB 3.68Å; A715-C719 WeakPolarHBondContact O-CB 3.22Å; A715-C719 PolarHBondContact O-N 2.94Å; K716-C719 PolarHBondContact O-N 3.36Å; C719-I721 PolarHBondContact O-N 3.04Å; C719-M722 WeakPolarHBondContact O-CB 3.11Å; C719-M722 PolarHBondContact O-N 2.79Å; C719-M723 WeakPolarHBondContact O-CG 3.32Å; C719-M723 PolarHBondContact O-N 3.18Å
720M78.1Confident80.7Confident49 Ų4937.6 Ų37.624%0.24119%0.192CC..Hα-helixtrans-59.7-45.7176.6-175.4-171.577.500112.5K569 K716 Q717 M718 M722 M723 E724K569-M720 PolarHBondContact NZ-SD 3.31Å; K716-M720 PolarHBondContact O-N 2.94Å; Q717-M720 PolarHBondContact O-N 2.95Å; M718-M720 VanDerWaalsContact C-N 3.31Å; M718-M720 PolarHBondContact O-N 3.05Å; M720-M722 VanDerWaalsContact C-N 3.31Å; M720-M722 PolarHBondContact O-N 3.25Å; M720-M723 WeakPolarHBondContact O-CB 3.49Å; M720-M723 PolarHBondContact O-N 3.06Å; M720-E724 WeakPolarHBondContact O-CG 3.46Å; M720-E724 PolarHBondContact O-N 2.7Å; M720-E724 VanDerWaalsContact O-N 3.07Å
721I81.5Confident79.9Confident3 Ų333.3 Ų33.32%0.01517%0.172CC..Hα-helixtrans-66.5-36.2178.2-58.8164.4000110.8Q717 M718 C719 M723 E724 M725 A744 K747 I748Q717-I721 HydrophobicContact CG-CD1 4.26Å; Q717-I721 WeakPolarHBondContact O-CG1 3.39Å; Q717-I721 PolarHBondContact O-N 2.84Å; M718-I721 PolarHBondContact O-N 3.48Å; C719-I721 PolarHBondContact O-N 3.04Å; I721-M723 VanDerWaalsContact C-N 3.32Å; I721-M723 PolarHBondContact O-N 3Å; I721-E724 PolarHBondContact O-N 3.2Å; I721-M725 WeakPolarHBondContact O-CG 3.34Å; I721-M725 PolarHBondContact O-N 2.93Å; I721-A744 HydrophobicContact CG2-CB 3.57Å; I721-A744 WeakPolarHBondContact CG2-O 3.47Å; I721-K747 HydrophobicContact CD1-CB 3.82Å; I721-I748 HydrophobicContact CB-CD1 3.99Å; I721-I748 HydrophobicContact CB-CG1 3.74Å; I721-I748 HydrophobicContact CD1-CG1 4.18Å; I721-I748 HydrophobicContact CG2-CD1 3.7Å; I721-I748 HydrophobicContact CG2-CG1 3.63Å
722M85.2Confident79Confident69 Ų6933.8 Ų33.834%0.3417%0.172SC..Hα-helixtrans-63.7-37.4173.9-68.6179.3-166.600111.8F690 M718 C719 M720 M725 T726 I748F690-M722 HydrophobicContact CE2-CB 3.99Å; F690-M722 HydrophobicContact CE2-SD 4.49Å; F690-M722 HydrophobicContact CZ-CB 3.69Å; M718-M722 HydrophobicContact CB-CE 4.46Å; M718-M722 HydrophobicContact CE-CE 4.38Å; M718-M722 VanDerWaalsContact O-CG 3.32Å; M718-M722 WeakPolarHBondContact O-CG 3.27Å; M718-M722 PolarHBondContact O-N 3.26Å; C719-M722 WeakPolarHBondContact O-CB 3.11Å; C719-M722 PolarHBondContact O-N 2.79Å; M720-M722 VanDerWaalsContact C-N 3.31Å; M720-M722 PolarHBondContact O-N 3.25Å; M722-M725 PolarHBondContact O-N 3.47Å; M722-T726 WeakPolarHBondContact O-CB 3.21Å; M722-T726 PolarHBondContact O-N 3.17Å; M722-T726 PolarHBondContact O-OG1 3.43Å; M722-I748 HydrophobicContact CE-CD1 4.46Å; M722-I748 HydrophobicContact CE-CG2 3.96Å; M722-I748 HydrophobicContact CG-CD1 3.64Å
723M80.5Confident78.2Confident21 Ų2133.1 Ų33.110%0.10317%0.169CC..Hα-helixtrans-60.1-48171.8-70.1-67.7-55.300111.1F690 K694 C719 M720 I721 M725 T726 D727F690-M723 HydrophobicContact CD1-SD 4.47Å; F690-M723 HydrophobicContact CE1-CG 4.46Å; F690-M723 HydrophobicContact CE1-SD 3.55Å; F690-M723 VanDerWaalsContact CE1-SD 3.55Å; F690-M723 HydrophobicContact CZ-SD 4.3Å; K694-M723 HydrophobicContact CD-SD 3.64Å; K694-M723 HydrophobicContact CG-SD 4.24Å; C719-M723 WeakPolarHBondContact O-CG 3.32Å; C719-M723 PolarHBondContact O-N 3.18Å; M720-M723 WeakPolarHBondContact O-CB 3.49Å; M720-M723 PolarHBondContact O-N 3.06Å; I721-M723 VanDerWaalsContact C-N 3.32Å; I721-M723 PolarHBondContact O-N 3Å; M723-M725 VanDerWaalsContact C-N 3.27Å; M723-M725 PolarHBondContact O-N 3.1Å; M723-T726 CarbonylContact O-C 3.1Å; M723-T726 WeakPolarHBondContact O-CB 3.11Å; M723-T726 PolarHBondContact O-N 3.4Å; M723-T726 VanDerWaalsContact O-N 3.09Å; M723-D727 VanDerWaalsContact O-CG 3.24Å; M723-D727 PolarHBondContact O-N 3.33Å
724E80.5Confident77.8Confident15 Ų1530.6 Ų30.67%0.0715%0.154CC..Hα-helixtrans-58.7-38.6177-64.2-179.7170.800112.3S651 T653 M720 I721 D727 F728 P734 L735S651-E724 VanDerWaalsContact CB-OE1 3.24Å; S651-E724 WeakPolarHBondContact CB-OE1 3.38Å; S651-E724 PolarHBondContact OG-OE1 3.02Å; S651-E724 PolarHBondContact OG-OE2 2.87Å; T653-E724 WeakPolarHBondContact CB-OE2 3.37Å; T653-E724 PolarHBondContact OG1-OE2 3.26Å; M720-E724 WeakPolarHBondContact O-CG 3.46Å; M720-E724 PolarHBondContact O-N 2.7Å; M720-E724 VanDerWaalsContact O-N 3.07Å; I721-E724 PolarHBondContact O-N 3.2Å; E724-D727 PolarHBondContact O-N 2.74Å; E724-F728 PolarHBondContact O-N 2.89Å; E724-F728 VanDerWaalsContact O-N 3.09Å; E724-P734 HydrophobicContact CB-CG 3.92Å; E724-P734 HydrophobicContact CG-CG 3.61Å; E724-L735 HydrophobicContact CB-CD1 4.21Å; E724-L735 HydrophobicContact CB-CG 4.21Å; E724-L735 WeakPolarHBondContact O-CD1 3.39Å
725M83Confident77.4Confident48 Ų4830.2 Ų30.224%0.23615%0.152CC..Hα-helixtrans-68.4-40.1175.6-69.817770.100112.1I721 M722 M723 D727 F728 T729 L735 V741 A744 A745 I748I721-M725 WeakPolarHBondContact O-CG 3.34Å; I721-M725 PolarHBondContact O-N 2.93Å; M722-M725 PolarHBondContact O-N 3.47Å; M723-M725 VanDerWaalsContact C-N 3.27Å; M723-M725 PolarHBondContact O-N 3.1Å; M725-D727 VanDerWaalsContact C-N 3.34Å; M725-F728 WeakPolarHBondContact O-CB 3.39Å; M725-F728 PolarHBondContact O-N 2.75Å; M725-T729 PolarHBondContact O-N 3.47Å; M725-L735 HydrophobicContact CB-CD1 4.4Å; M725-L735 HydrophobicContact CG-CD1 3.9Å; M725-V741 HydrophobicContact CE-CG1 3.82Å; M725-V741 HydrophobicContact CG-CG1 4.47Å; M725-A744 HydrophobicContact CG-CB 3.72Å; M725-A744 HydrophobicContact SD-CB 3.92Å; M725-A745 HydrophobicContact CE-CB 4.05Å; M725-A745 HydrophobicContact SD-CB 4.46Å; M725-I748 HydrophobicContact SD-CD1 3.59Å; M725-I748 VanDerWaalsContact SD-CD1 3.59Å
726T81.4Confident76.9Confident20 Ų2033.4 Ų33.412%0.12316%0.163CC..Hα-helixtrans-64.2-41.3174.8-63.10000110.6V687 F690 M722 M723 F728 T729V687-T726 HydrophobicContact CB-CG2 4.29Å; V687-T726 HydrophobicContact CG1-CG2 3.91Å; V687-T726 HydrophobicContact CG2-CG2 3.74Å; F690-T726 HydrophobicContact CD1-CG2 3.92Å; F690-T726 HydrophobicContact CE1-CG2 4.21Å; F690-T726 WeakPolarHBondContact CE1-OG1 3.37Å; M722-T726 WeakPolarHBondContact O-CB 3.21Å; M722-T726 PolarHBondContact O-N 3.17Å; M722-T726 PolarHBondContact O-OG1 3.43Å; M723-T726 CarbonylContact O-C 3.1Å; M723-T726 WeakPolarHBondContact O-CB 3.11Å; M723-T726 PolarHBondContact O-N 3.4Å; M723-T726 VanDerWaalsContact O-N 3.09Å; T726-F728 VanDerWaalsContact C-N 3.35Å; T726-F728 PolarHBondContact O-N 2.86Å; T726-T729 PolarHBondContact O-N 2.89Å; T726-T729 VanDerWaalsContact O-N 3.14Å; T726-T729 PolarHBondContact O-OG1 2.81Å
727D72.9Confident76.8Confident12 Ų1230.9 Ų30.96%0.06415%0.152CC..Hα-helixtrans-60.6-42.7175.7-68.3-21.6000112.2M723 E724 M725 T729 R730 G731 K732M723-D727 VanDerWaalsContact O-CG 3.24Å; M723-D727 PolarHBondContact O-N 3.33Å; E724-D727 PolarHBondContact O-N 2.74Å; M725-D727 VanDerWaalsContact C-N 3.34Å; D727-T729 PolarHBondContact O-N 2.82Å; D727-R730 WeakPolarHBondContact O-CA 3.5Å; D727-R730 WeakPolarHBondContact O-CB 3.47Å; D727-R730 PolarHBondContact O-N 2.77Å; D727-R730 IonicContact OD1-CZ 3.19Å; D727-R730 IonicContact OD1-NE 3.03Å; D727-R730 IonicContact OD1-NH2 2.87Å; D727-R730 PolarHBondContact OD1-NH2 3.37Å; D727-G731 PolarHBondContact O-N 3.17Å; D727-K732 CarbonylContact C-O 3.47Å; D727-K732 HydrophobicContact CB-CB 4.4Å; D727-K732 PolarHBondContact O-N 3.44Å
728F80.1Confident76.7Confident19 Ų1931.1 Ų31.18%0.08316%0.159CC..Hα-helixtrans-56-37.7175.8178.9-97000112.4A668 R669 M672 E724 M725 T726 R730 G731 K732 L735 V741A668-F728 HydrophobicContact CB-CE2 4.48Å; A668-F728 HydrophobicContact CB-CZ 3.97Å; R669-F728 HydrophobicContact CB-CE2 4.43Å; M672-F728 HydrophobicContact CG-CE1 4.24Å; E724-F728 PolarHBondContact O-N 2.89Å; E724-F728 VanDerWaalsContact O-N 3.09Å; M725-F728 WeakPolarHBondContact O-CB 3.39Å; M725-F728 PolarHBondContact O-N 2.75Å; T726-F728 VanDerWaalsContact C-N 3.35Å; T726-F728 PolarHBondContact O-N 2.86Å; F728-R730 PolarHBondContact O-N 3.27Å; F728-R730 VanDerWaalsContact O-N 3.15Å; F728-G731 PolarHBondContact O-N 3.24Å; F728-K732 WeakPolarHBondContact CA-O 3.49Å; F728-K732 PolarHBondContact N-O 2.91Å; F728-L735 HydrophobicContact CB-CB 4.14Å; F728-L735 HydrophobicContact CB-CD1 4.16Å; F728-L735 HydrophobicContact CD2-CB 3.89Å; F728-L735 VanDerWaalsContact CD2-O 3.3Å; F728-L735 WeakPolarHBondContact CD2-O 3.43Å; F728-L735 HydrophobicContact CG-CB 4.28Å; F728-V741 HydrophobicContact CB-CG2 4.2Å; F728-V741 HydrophobicContact CD1-CG2 3.33Å; F728-V741 HydrophobicContact CD2-CG2 3.96Å; F728-V741 HydrophobicContact CE1-CG2 3.57Å; F728-V741 HydrophobicContact CE2-CG2 4.16Å; F728-V741 HydrophobicContact CG-CG2 3.53Å; F728-V741 HydrophobicContact CZ-CG2 3.97Å
729T78.5Confident76.3Confident47 Ų4731.4 Ų31.429%0.28816%0.164SC..Hα-helixtrans-65.7-16.8178.270.10000113.8M672 M725 T726 D727M672-T729 VanDerWaalsContact CE-O 3.32Å; M672-T729 WeakPolarHBondContact CE-O 3.15Å; M725-T729 PolarHBondContact O-N 3.47Å; T726-T729 PolarHBondContact O-N 2.89Å; T726-T729 VanDerWaalsContact O-N 3.14Å; T726-T729 PolarHBondContact O-OG1 2.81Å; D727-T729 PolarHBondContact O-N 2.82Å
730R74.1Confident76.1Confident66 Ų6631 Ų3125%0.24916%0.161CC..THydrogen-bonded Turntrans-99.23.3176-55.9-175.8-66.6175.62112.2I683 V687 D727 F728 K732I683-R730 HydrophobicContact CG2-CG 4.24Å; V687-R730 HydrophobicContact CG2-CG 4.34Å; D727-R730 WeakPolarHBondContact O-CA 3.5Å; D727-R730 WeakPolarHBondContact O-CB 3.47Å; D727-R730 PolarHBondContact O-N 2.77Å; D727-R730 IonicContact OD1-CZ 3.19Å; D727-R730 IonicContact OD1-NE 3.03Å; D727-R730 IonicContact OD1-NH2 2.87Å; D727-R730 PolarHBondContact OD1-NH2 3.37Å; F728-R730 PolarHBondContact O-N 3.27Å; F728-R730 VanDerWaalsContact O-N 3.15Å; R730-K732 VanDerWaalsContact C-N 3.31Å; R730-K732 HydrophobicContact CB-CG 4.46Å
731G66.3Low76.3Confident12 Ų1230 Ų3012%0.12416%0.158CC..THydrogen-bonded Turntrans73.221-172.400000113.8R669 D727 F728R669-G731 WeakPolarHBondContact CD-O 2.84Å; R669-G731 VanDerWaalsContact CG-C 3.48Å; R669-G731 WeakPolarHBondContact CG-O 3.43Å; R669-G731 WeakPolarHBondContact O-CA 3.45Å; D727-G731 PolarHBondContact O-N 3.17Å; F728-G731 PolarHBondContact O-N 3.24Å
732K65.7Low76.2Confident60 Ų6034 Ų3426%0.26118%0.178SC..  trans-117.8173.6-176.1-64.9-168-177.5-1730111.6D646 Y647 D727 F728 R730D646-K732 IonicContact OD1-NZ 3.75Å; D646-K732 PolarHBondContact OD1-NZ 3.46Å; Y647-K732 WeakPolarHBondContact O-CB 3.49Å; D727-K732 CarbonylContact C-O 3.47Å; D727-K732 HydrophobicContact CB-CB 4.4Å; D727-K732 PolarHBondContact O-N 3.44Å; F728-K732 WeakPolarHBondContact CA-O 3.49Å; F728-K732 PolarHBondContact N-O 2.91Å; R730-K732 VanDerWaalsContact C-N 3.31Å; R730-K732 HydrophobicContact CB-CG 4.46Å
733G63.2Low76Confident1 Ų132.6 Ų32.61%0.0117%0.172CC..SBendtrans80.3-169.1169.400000114.4Y647 R669Y647-G733 PolarHBondContact O-N 2.86Å; R669-G733 PolarHBondContact NH1-O 3.41Å; R669-G733 VanDerWaalsContact NH1-O 3.12Å; R669-G733 PolarHBondContact NH2-O 3.48Å
734P68.8Low76.1Confident10 Ų1031.6 Ų31.67%0.06517%0.167CC..SBendtrans-82.5-24.2-165.529.2-35.7000115.2V649 S651 S654 R669 E724 K736V649-P734 WeakPolarHBondContact O-CA 3.28Å; V649-P734 VanDerWaalsContact O-CB 3.26Å; V649-P734 WeakPolarHBondContact O-CB 3.36Å; S651-P734 VanDerWaalsContact N-CB 3.33Å; S654-P734 VanDerWaalsContact CB-O 3.31Å; S654-P734 WeakPolarHBondContact CB-O 3.39Å; S654-P734 PolarHBondContact OG-O 2.98Å; R669-P734 PolarHBondContact NH2-O 3.4Å; E724-P734 HydrophobicContact CB-CG 3.92Å; E724-P734 HydrophobicContact CG-CG 3.61Å; P734-K736 PolarHBondContact O-N 3.36Å
735L73.6Confident76.3Confident0 Ų032.9 Ų32.90%018%0.18CC..  trans-74.3126.2-175.9-49.6179.5000109.2T653 R669 E724 M725 F728 D740 V741 A744T653-L735 HydrophobicContact CG2-CD2 3.61Å; R669-L735 VanDerWaalsContact CZ-O 3.3Å; R669-L735 PolarHBondContact NE-O 3.22Å; R669-L735 PolarHBondContact NH2-O 3.37Å; E724-L735 HydrophobicContact CB-CD1 4.21Å; E724-L735 HydrophobicContact CB-CG 4.21Å; E724-L735 WeakPolarHBondContact O-CD1 3.39Å; M725-L735 HydrophobicContact CB-CD1 4.4Å; M725-L735 HydrophobicContact CG-CD1 3.9Å; F728-L735 HydrophobicContact CB-CB 4.14Å; F728-L735 HydrophobicContact CB-CD1 4.16Å; F728-L735 HydrophobicContact CD2-CB 3.89Å; F728-L735 VanDerWaalsContact CD2-O 3.3Å; F728-L735 WeakPolarHBondContact CD2-O 3.43Å; F728-L735 HydrophobicContact CG-CB 4.28Å; L735-D740 HydrophobicContact CB-CB 3.85Å; L735-D740 HydrophobicContact CD2-CB 3.95Å; L735-D740 HydrophobicContact CG-CB 4.46Å; L735-V741 HydrophobicContact CB-CG2 4.36Å; L735-V741 HydrophobicContact CD1-CG2 3.98Å; L735-A744 HydrophobicContact CD1-CB 4.12Å; L735-A744 HydrophobicContact CD2-CB 4.28Å
736K73.5Confident76.3Confident83 Ų8336 Ų3636%0.36119%0.192SC..  trans-95.8-38.1-172.9-64.3175.8-174.1175.60112.7S654 D660 R669 P734 D740S654-K736 WeakPolarHBondContact OG-CD 3.4Å; S654-K736 WeakPolarHBondContact OG-CE 3.43Å; S654-K736 WeakPolarHBondContact OG-CG 2.99Å; D660-K736 WeakPolarHBondContact OD1-CB 3.41Å; R669-K736 PolarHBondContact N-O 3.03Å; P734-K736 PolarHBondContact O-N 3.36Å; K736-D740 WeakPolarHBondContact CB-OD2 3.32Å; K736-D740 PolarHBondContact N-OD2 2.96Å
737N75.8Confident76.4Confident2 Ų238.4 Ų38.41%0.01120%0.201CC..SBendtrans-137.1172.3-171.559.954000111.6T657 S739 D740 V741T657-N737 WeakPolarHBondContact CB-ND2 3.22Å; T657-N737 PolarHBondContact OG1-ND2 2.93Å; N737-S739 PolarHBondContact O-N 3.29Å; N737-S739 VanDerWaalsContact OD1-CA 3.29Å; N737-S739 WeakPolarHBondContact OD1-CA 3.26Å; N737-S739 WeakPolarHBondContact OD1-CB 3.26Å; N737-S739 PolarHBondContact OD1-N 2.74Å; N737-D740 WeakPolarHBondContact O-CB 3.29Å; N737-D740 PolarHBondContact O-N 3.08Å; N737-D740 VanDerWaalsContact O-N 3.17Å; N737-D740 PolarHBondContact OD1-N 3.35Å; N737-V741 PolarHBondContact O-N 3.13Å
738T77.5Confident77Confident73 Ų7339 Ų3945%0.44820%0.204SC..Hα-helixtrans-61.1-26.9178.6-46.70000112.5V741 I742T738-V741 PolarHBondContact O-N 3.07Å; T738-I742 HydrophobicContact CG2-CD1 4.23Å; T738-I742 WeakPolarHBondContact O-CD1 3.44Å; T738-I742 VanDerWaalsContact O-CG1 3.24Å; T738-I742 WeakPolarHBondContact O-CG1 3.45Å; T738-I742 PolarHBondContact O-N 3.38Å
739S76.9Confident77.2Confident39 Ų3941.2 Ų41.227%0.27323%0.226SC..Hα-helixtrans-67.2-41.4176.1-158.50000111.8N737 V741 I742 N743N737-S739 PolarHBondContact O-N 3.29Å; N737-S739 VanDerWaalsContact OD1-CA 3.29Å; N737-S739 WeakPolarHBondContact OD1-CA 3.26Å; N737-S739 WeakPolarHBondContact OD1-CB 3.26Å; N737-S739 PolarHBondContact OD1-N 2.74Å; S739-V741 VanDerWaalsContact C-N 3.33Å; S739-V741 PolarHBondContact O-N 2.91Å; S739-I742 PolarHBondContact O-N 2.87Å; S739-N743 WeakPolarHBondContact O-CB 3.49Å; S739-N743 VanDerWaalsContact O-CG 3.31Å; S739-N743 PolarHBondContact O-N 3.45Å; S739-N743 PolarHBondContact O-ND2 3.24Å
740D80Confident77.5Confident1 Ų144.5 Ų44.51%0.00524%0.238CC..Hα-helixtrans-60.3-42.5173.7-72.1-12.8000111.4S654 T657 L735 K736 N737 I742 N743 A744S654-D740 VanDerWaalsContact CB-OD2 3.31Å; S654-D740 WeakPolarHBondContact CB-OD2 3.39Å; S654-D740 PolarHBondContact OG-OD2 3.4Å; T657-D740 PolarHBondContact OG1-OD1 3Å; L735-D740 HydrophobicContact CB-CB 3.85Å; L735-D740 HydrophobicContact CD2-CB 3.95Å; L735-D740 HydrophobicContact CG-CB 4.46Å; K736-D740 WeakPolarHBondContact CB-OD2 3.32Å; K736-D740 PolarHBondContact N-OD2 2.96Å; N737-D740 WeakPolarHBondContact O-CB 3.29Å; N737-D740 PolarHBondContact O-N 3.08Å; N737-D740 VanDerWaalsContact O-N 3.17Å; N737-D740 PolarHBondContact OD1-N 3.35Å; D740-I742 VanDerWaalsContact C-N 3.35Å; D740-I742 PolarHBondContact O-N 3.44Å; D740-N743 PolarHBondContact O-N 3.29Å; D740-A744 VanDerWaalsContact O-CB 3.29Å; D740-A744 WeakPolarHBondContact O-CB 3.43Å; D740-A744 PolarHBondContact O-N 3.18Å
741V82.5Confident78Confident30 Ų3041.3 Ų41.318%0.18223%0.226CC..Hα-helixtrans-63.9-40.3175.5-1780000111.5M725 F728 L735 N737 T738 S739 A744 A745M725-V741 HydrophobicContact CE-CG1 3.82Å; M725-V741 HydrophobicContact CG-CG1 4.47Å; F728-V741 HydrophobicContact CB-CG2 4.2Å; F728-V741 HydrophobicContact CD1-CG2 3.33Å; F728-V741 HydrophobicContact CD2-CG2 3.96Å; F728-V741 HydrophobicContact CE1-CG2 3.57Å; F728-V741 HydrophobicContact CE2-CG2 4.16Å; F728-V741 HydrophobicContact CG-CG2 3.53Å; F728-V741 HydrophobicContact CZ-CG2 3.97Å; L735-V741 HydrophobicContact CB-CG2 4.36Å; L735-V741 HydrophobicContact CD1-CG2 3.98Å; N737-V741 PolarHBondContact O-N 3.13Å; T738-V741 PolarHBondContact O-N 3.07Å; S739-V741 VanDerWaalsContact C-N 3.33Å; S739-V741 PolarHBondContact O-N 2.91Å; V741-A744 WeakPolarHBondContact O-CB 3.41Å; V741-A744 PolarHBondContact O-N 3.42Å; V741-A745 WeakPolarHBondContact O-CB 3.38Å; V741-A745 PolarHBondContact O-N 2.88Å
742I79.7Confident79Confident86 Ų8642 Ų4244%0.44123%0.233SC..Hα-helixtrans-65.5-42.4175.8-69.8163.6000110.5T738 S739 D740 A745 K746T738-I742 HydrophobicContact CG2-CD1 4.23Å; T738-I742 WeakPolarHBondContact O-CD1 3.44Å; T738-I742 VanDerWaalsContact O-CG1 3.24Å; T738-I742 WeakPolarHBondContact O-CG1 3.45Å; T738-I742 PolarHBondContact O-N 3.38Å; S739-I742 PolarHBondContact O-N 2.87Å; D740-I742 VanDerWaalsContact C-N 3.35Å; D740-I742 PolarHBondContact O-N 3.44Å; I742-A745 WeakPolarHBondContact O-CB 3.26Å; I742-A745 PolarHBondContact O-N 3.23Å; I742-K746 WeakPolarHBondContact O-CG 3.28Å; I742-K746 PolarHBondContact O-N 3.14Å
743N81.4Confident80Confident39 Ų3942 Ų4221%0.20924%0.24CC..Hα-helixtrans-68.7-37.4178.1-70.9-27.2000112S739 D740 A745 K746 K747S739-N743 WeakPolarHBondContact O-CB 3.49Å; S739-N743 VanDerWaalsContact O-CG 3.31Å; S739-N743 PolarHBondContact O-N 3.45Å; S739-N743 PolarHBondContact O-ND2 3.24Å; D740-N743 PolarHBondContact O-N 3.29Å; N743-A745 VanDerWaalsContact C-N 3.33Å; N743-K746 PolarHBondContact O-N 3.03Å; N743-K746 PolarHBondContact OD1-NZ 3.09Å; N743-K747 WeakPolarHBondContact O-CG 3.27Å; N743-K747 PolarHBondContact O-N 2.9Å
744A81.9Confident81.1Confident0 Ų047.2 Ų47.20%026%0.26CS..Hα-helixtrans-56-49.2169.100000110.6T653 I721 M725 L735 D740 V741 K746 K747 I748T653-A744 HydrophobicContact CG2-CB 3.68Å; I721-A744 HydrophobicContact CG2-CB 3.57Å; I721-A744 WeakPolarHBondContact CG2-O 3.47Å; M725-A744 HydrophobicContact CG-CB 3.72Å; M725-A744 HydrophobicContact SD-CB 3.92Å; L735-A744 HydrophobicContact CD1-CB 4.12Å; L735-A744 HydrophobicContact CD2-CB 4.28Å; D740-A744 VanDerWaalsContact O-CB 3.29Å; D740-A744 WeakPolarHBondContact O-CB 3.43Å; D740-A744 PolarHBondContact O-N 3.18Å; V741-A744 WeakPolarHBondContact O-CB 3.41Å; V741-A744 PolarHBondContact O-N 3.42Å; A744-K746 VanDerWaalsContact C-N 3.33Å; A744-K746 PolarHBondContact O-N 3.19Å; A744-K747 PolarHBondContact O-N 3.44Å; A744-I748 WeakPolarHBondContact O-CG1 3.44Å; A744-I748 PolarHBondContact O-N 3.49Å
745A84.6Confident82Confident42 Ų4248.9 Ų48.935%0.34727%0.267SS..Hα-helixtrans-62.3-38.3177.500000112.6M725 V741 I742 N743 I748 A749M725-A745 HydrophobicContact CE-CB 4.05Å; M725-A745 HydrophobicContact SD-CB 4.46Å; V741-A745 WeakPolarHBondContact O-CB 3.38Å; V741-A745 PolarHBondContact O-N 2.88Å; I742-A745 WeakPolarHBondContact O-CB 3.26Å; I742-A745 PolarHBondContact O-N 3.23Å; N743-A745 VanDerWaalsContact C-N 3.33Å; A745-I748 PolarHBondContact O-N 3.29Å; A745-A749 PolarHBondContact O-N 3.49Å
746K83.8Confident82.6Confident113 Ų11352 Ų5249%0.49128%0.284SS..Hα-helixtrans-62.9-44173.9-72.7174-174.5166.90111.9I742 N743 A744 I748 A749 E750I742-K746 WeakPolarHBondContact O-CG 3.28Å; I742-K746 PolarHBondContact O-N 3.14Å; N743-K746 PolarHBondContact O-N 3.03Å; N743-K746 PolarHBondContact OD1-NZ 3.09Å; A744-K746 VanDerWaalsContact C-N 3.33Å; A744-K746 PolarHBondContact O-N 3.19Å; K746-I748 VanDerWaalsContact C-N 3.34Å; K746-I748 PolarHBondContact O-N 2.92Å; K746-A749 CarbonylContact O-C 3.47Å; K746-A749 WeakPolarHBondContact O-CA 3.36Å; K746-A749 WeakPolarHBondContact O-CB 3.49Å; K746-A749 PolarHBondContact O-N 2.88Å; K746-A749 VanDerWaalsContact O-N 3.1Å; K746-E750 WeakPolarHBondContact O-CG 3.36Å; K746-E750 PolarHBondContact O-N 3.35Å
747K84.1Confident83.2Confident71 Ų7154.6 Ų54.631%0.30930%0.295SS..Hα-helixtrans-62.6-39.6176.3-71.7-177.7-175-177.50112.1R652 T653 I721 N743 A744 A749 E750 A751R652-K747 PolarHBondContact O-NZ 2.91Å; T653-K747 HydrophobicContact CG2-CD 4.35Å; I721-K747 HydrophobicContact CD1-CB 3.82Å; N743-K747 WeakPolarHBondContact O-CG 3.27Å; N743-K747 PolarHBondContact O-N 2.9Å; A744-K747 PolarHBondContact O-N 3.44Å; K747-A749 VanDerWaalsContact C-N 3.32Å; K747-E750 PolarHBondContact O-N 3.5Å; K747-A751 WeakPolarHBondContact O-CB 3.29Å; K747-A751 PolarHBondContact O-N 2.94Å
748I84.8Confident83.7Confident24 Ų2457 Ų5712%0.12331%0.308CS..Hα-helixtrans-59.9-45.1171.8-68170.2000110.1M718 I721 M722 M725 A744 A745 K746 E750 A751 G752M718-I748 HydrophobicContact CE-CG2 3.59Å; M718-I748 HydrophobicContact CG-CG2 4.31Å; I721-I748 HydrophobicContact CB-CD1 3.99Å; I721-I748 HydrophobicContact CB-CG1 3.74Å; I721-I748 HydrophobicContact CD1-CG1 4.18Å; I721-I748 HydrophobicContact CG2-CD1 3.7Å; I721-I748 HydrophobicContact CG2-CG1 3.63Å; M722-I748 HydrophobicContact CE-CD1 4.46Å; M722-I748 HydrophobicContact CE-CG2 3.96Å; M722-I748 HydrophobicContact CG-CD1 3.64Å; M725-I748 HydrophobicContact SD-CD1 3.59Å; M725-I748 VanDerWaalsContact SD-CD1 3.59Å; A744-I748 WeakPolarHBondContact O-CG1 3.44Å; A744-I748 PolarHBondContact O-N 3.49Å; A745-I748 PolarHBondContact O-N 3.29Å; K746-I748 VanDerWaalsContact C-N 3.34Å; K746-I748 PolarHBondContact O-N 2.92Å; I748-E750 PolarHBondContact O-N 2.86Å; I748-A751 PolarHBondContact O-N 3.15Å; I748-G752 PolarHBondContact O-N 3.37Å
749A83.6Confident83.9Confident66 Ų6655.9 Ų55.955%0.54531%0.306SS..Hα-helixtrans-64.1-39.8178.300000112.6A745 K746 K747 G752 S753A745-A749 PolarHBondContact O-N 3.49Å; K746-A749 CarbonylContact O-C 3.47Å; K746-A749 WeakPolarHBondContact O-CA 3.36Å; K746-A749 WeakPolarHBondContact O-CB 3.49Å; K746-A749 PolarHBondContact O-N 2.88Å; K746-A749 VanDerWaalsContact O-N 3.1Å; K747-A749 VanDerWaalsContact C-N 3.32Å; A749-G752 PolarHBondContact O-N 3.4Å; A749-S753 PolarHBondContact O-N 2.97Å
750E85.9Confident84.2Confident116 Ų11661 Ų6154%0.54232%0.319SS..Hα-helixtrans-64.5-41.5174.5-73.2170.8-173.300112.3K746 K747 I748 S753 R754K746-E750 WeakPolarHBondContact O-CG 3.36Å; K746-E750 PolarHBondContact O-N 3.35Å; K747-E750 PolarHBondContact O-N 3.5Å; I748-E750 PolarHBondContact O-N 2.86Å; E750-S753 PolarHBondContact O-N 3.31Å; E750-R754 PolarHBondContact O-N 3.29Å; E750-R754 VanDerWaalsContact O-N 3.1Å
751A83.8Confident84.3Confident0 Ų063.5 Ų63.50%034%0.34CS..Hα-helixtrans-62.5-43.9172.500000111.3L714 M718 K747 I748 S753 R754 M755L714-A751 HydrophobicContact CD2-CB 4Å; M718-A751 HydrophobicContact CG-CB 3.49Å; M718-A751 VanDerWaalsContact CG-CB 3.49Å; M718-A751 HydrophobicContact SD-CB 3.86Å; K747-A751 WeakPolarHBondContact O-CB 3.29Å; K747-A751 PolarHBondContact O-N 2.94Å; I748-A751 PolarHBondContact O-N 3.15Å; A751-S753 VanDerWaalsContact C-N 3.32Å; A751-S753 PolarHBondContact O-N 2.89Å; A751-R754 WeakPolarHBondContact O-CB 3.47Å; A751-R754 PolarHBondContact O-N 3.27Å; A751-R754 VanDerWaalsContact O-N 3.13Å; A751-M755 PolarHBondContact O-N 2.91Å
752G87.2Confident84Confident26 Ų2666.2 Ų66.227%0.26836%0.357SS..Hα-helixtrans-59.5-39174.100000113.2I748 A749 M755 D756I748-G752 PolarHBondContact O-N 3.37Å; A749-G752 PolarHBondContact O-N 3.4Å; G752-M755 PolarHBondContact O-N 3.01Å; G752-D756 WeakPolarHBondContact O-CB 3.43Å; G752-D756 PolarHBondContact O-N 3.21Å
753S87.6Confident83.8Confident59 Ų5964.7 Ų64.741%0.41336%0.356SS..Hα-helixtrans-66.5-36.1175-176.30000112.7A749 E750 A751 K757A749-S753 PolarHBondContact O-N 2.97Å; E750-S753 PolarHBondContact O-N 3.31Å; A751-S753 VanDerWaalsContact C-N 3.32Å; A751-S753 PolarHBondContact O-N 2.89Å; S753-K757 WeakPolarHBondContact O-CG 3.41Å; S753-K757 PolarHBondContact O-N 3.11Å
754R85.5Confident83.5Confident111 Ų11169.7 Ų69.742%0.41938%0.383SS..Hα-helixtrans-67.2-42.3173-72.7-178.1-81.3155.21.5111.3L714 E750 A751 D756 K757 L758L714-R754 HydrophobicContact CD1-CB 3.71Å; L714-R754 HydrophobicContact CD2-CB 4.2Å; E750-R754 PolarHBondContact O-N 3.29Å; E750-R754 VanDerWaalsContact O-N 3.1Å; A751-R754 WeakPolarHBondContact O-CB 3.47Å; A751-R754 PolarHBondContact O-N 3.27Å; A751-R754 VanDerWaalsContact O-N 3.13Å; R754-D756 VanDerWaalsContact C-N 3.33Å; R754-D756 PolarHBondContact O-N 2.99Å; R754-K757 WeakPolarHBondContact O-CB 3.42Å; R754-K757 PolarHBondContact O-N 3.31Å; R754-L758 PolarHBondContact O-N 3Å
755M89.2Confident83Confident45 Ų4577.5 Ų77.522%0.22242%0.42CS..Hα-helixtrans-61.2-41.6177.6-170.5179-7000111.9I711 L714 A715 M718 A751 G752 L758 A759I711-M755 HydrophobicContact CG1-CG 4.45Å; I711-M755 HydrophobicContact CG2-CE 4.35Å; I711-M755 HydrophobicContact CG2-CG 4Å; I711-M755 HydrophobicContact CG2-SD 4.22Å; L714-M755 HydrophobicContact CB-CE 3.71Å; L714-M755 HydrophobicContact CD1-CB 4.03Å; A715-M755 HydrophobicContact CB-CE 4.02Å; M718-M755 HydrophobicContact SD-CE 3.92Å; A751-M755 PolarHBondContact O-N 2.91Å; G752-M755 PolarHBondContact O-N 3.01Å; M755-L758 PolarHBondContact O-N 3.45Å; M755-A759 WeakPolarHBondContact O-CB 3.31Å; M755-A759 PolarHBondContact O-N 3.03Å
756D85.7Confident82.1Confident67 Ų6780.1 Ų80.136%0.35843%0.427SS..Hα-helixtrans-63.4-39.7175.4168.456.8000112.6G752 R754 L758 A759 R760G752-D756 WeakPolarHBondContact O-CB 3.43Å; G752-D756 PolarHBondContact O-N 3.21Å; R754-D756 VanDerWaalsContact C-N 3.33Å; R754-D756 PolarHBondContact O-N 2.99Å; D756-L758 VanDerWaalsContact C-N 3.34Å; D756-L758 PolarHBondContact O-N 3.17Å; D756-A759 PolarHBondContact O-N 2.94Å; D756-R760 VanDerWaalsContact O-CG 3.32Å; D756-R760 WeakPolarHBondContact O-CG 3.46Å; D756-R760 PolarHBondContact O-N 3.06Å; D756-R760 IonicContact OD1-CZ 3.99Å; D756-R760 IonicContact OD1-NE 3.08Å; D756-R760 PolarHBondContact OD1-NE 3.27Å; D756-R760 VanDerWaalsContact OD1-NE 3.1Å; D756-R760 IonicContact OD1-NH2 3.07Å; D756-R760 IonicContact OD2-CZ 2.67Å; D756-R760 IonicContact OD2-NE 2.69Å; D756-R760 PolarHBondContact OD2-NE 2.99Å; D756-R760 IonicContact OD2-NH2 3.37Å; D756-R760 PolarHBondContact OD2-NH2 3.08Å
757K86.8Confident80.8Confident137 Ų13782.9 Ų82.960%0.59645%0.448SS*.Hα-helixtrans-60.5-42.7174.2-71.4175.3-176.8177.60112.3S753 R754 R760 A761S753-K757 WeakPolarHBondContact O-CG 3.41Å; S753-K757 PolarHBondContact O-N 3.11Å; R754-K757 WeakPolarHBondContact O-CB 3.42Å; R754-K757 PolarHBondContact O-N 3.31Å; K757-R760 PolarHBondContact O-N 2.93Å; K757-A761 PolarHBondContact O-N 3.31Å
758L85.1Confident79.8Confident53 Ų5382.2 Ų82.228%0.27745%0.452SS..Hα-helixtrans-66.1-45.8177.6-65.9163.6000111.2D710 I711 L714 R754 M755 D756 R760 A761 V762D710-L758 HydrophobicContact CB-CD1 3.37Å; D710-L758 HydrophobicContact CB-CD2 4.2Å; D710-L758 HydrophobicContact CB-CG 4.42Å; I711-L758 HydrophobicContact CD1-CB 4.16Å; I711-L758 HydrophobicContact CG1-CB 3.84Å; I711-L758 HydrophobicContact CG1-CD1 3.98Å; L714-L758 HydrophobicContact CD1-CD1 3.74Å; R754-L758 PolarHBondContact O-N 3Å; M755-L758 PolarHBondContact O-N 3.45Å; D756-L758 VanDerWaalsContact C-N 3.34Å; D756-L758 PolarHBondContact O-N 3.17Å; L758-R760 VanDerWaalsContact C-N 3.27Å; L758-R760 PolarHBondContact O-N 3.26Å; L758-A761 WeakPolarHBondContact O-CB 3.38Å; L758-A761 PolarHBondContact O-N 3.46Å; L758-A761 VanDerWaalsContact O-N 3.13Å; L758-V762 WeakPolarHBondContact O-CG2 3.35Å; L758-V762 PolarHBondContact O-N 3.45Å
759A82.8Confident78.8Confident48 Ų4885.1 Ų85.140%0.39748%0.48SS..Hα-helixtrans-59.4-37.3177.900000112.5M755 D756 V762 A763M755-A759 WeakPolarHBondContact O-CB 3.31Å; M755-A759 PolarHBondContact O-N 3.03Å; D756-A759 PolarHBondContact O-N 2.94Å; A759-V762 PolarHBondContact O-N 3.36Å; A759-A763 PolarHBondContact O-N 3.41Å
760R83Confident77.7Confident146 Ų14687.6 Ų87.655%0.55149%0.488SS*.Hα-helixtrans-66.5-42.5174.2-69.4176.7-157.1177.4-1.8112.7D756 K757 L758 V762 A763 D764D756-R760 VanDerWaalsContact O-CG 3.32Å; D756-R760 WeakPolarHBondContact O-CG 3.46Å; D756-R760 PolarHBondContact O-N 3.06Å; D756-R760 IonicContact OD1-CZ 3.99Å; D756-R760 IonicContact OD1-NE 3.08Å; D756-R760 PolarHBondContact OD1-NE 3.27Å; D756-R760 VanDerWaalsContact OD1-NE 3.1Å; D756-R760 IonicContact OD1-NH2 3.07Å; D756-R760 IonicContact OD2-CZ 2.67Å; D756-R760 IonicContact OD2-NE 2.69Å; D756-R760 PolarHBondContact OD2-NE 2.99Å; D756-R760 IonicContact OD2-NH2 3.37Å; D756-R760 PolarHBondContact OD2-NH2 3.08Å; K757-R760 PolarHBondContact O-N 2.93Å; L758-R760 VanDerWaalsContact C-N 3.27Å; L758-R760 PolarHBondContact O-N 3.26Å; R760-V762 PolarHBondContact O-N 3.32Å; R760-A763 WeakPolarHBondContact O-CB 3.34Å; R760-A763 PolarHBondContact O-N 3.27Å; R760-A763 VanDerWaalsContact O-N 3.08Å; R760-D764 PolarHBondContact O-N 3.22Å
761A81.2Confident76.6Confident54 Ų5484.4 Ų84.445%0.44648%0.479SS..Hα-helixtrans-61.3-35.4176.200000112.1K757 L758K757-A761 PolarHBondContact O-N 3.31Å; L758-A761 WeakPolarHBondContact O-CB 3.38Å; L758-A761 PolarHBondContact O-N 3.46Å; L758-A761 VanDerWaalsContact O-N 3.13Å
762V76.8Confident75.9Confident88 Ų8889.7 Ų89.753%0.53351%0.506SS..Hα-helixtrans-68.1-41.8172.2175.30000111.2L758 A759 R760 D764 Q765L758-V762 WeakPolarHBondContact O-CG2 3.35Å; L758-V762 PolarHBondContact O-N 3.45Å; A759-V762 PolarHBondContact O-N 3.36Å; R760-V762 PolarHBondContact O-N 3.32Å; V762-D764 VanDerWaalsContact C-N 3.3Å; V762-D764 PolarHBondContact O-N 3.39Å; V762-Q765 PolarHBondContact O-N 3.2Å
763A74.1Confident75.2Confident53 Ų5394.9 Ų94.944%0.43853%0.526SS..Hα-helixtrans-62.1-35.7179.500000112.9A759 R760 Q765 L766A759-A763 PolarHBondContact O-N 3.41Å; R760-A763 WeakPolarHBondContact O-CB 3.34Å; R760-A763 PolarHBondContact O-N 3.27Å; R760-A763 VanDerWaalsContact O-N 3.08Å; A763-Q765 PolarHBondContact O-N 3.17Å; A763-L766 HydrophobicContact CB-CD1 4.48Å; A763-L766 PolarHBondContact O-N 2.72Å
764D75.8Confident74.5Confident145 Ų14597.1 Ų97.178%0.77553%0.53SS*.THydrogen-bonded Turntrans-66.2-14.6177.9-71.5-22.9000113.6R760 V762R760-D764 PolarHBondContact O-N 3.22Å; V762-D764 VanDerWaalsContact C-N 3.3Å; V762-D764 PolarHBondContact O-N 3.39Å
765Q72.1Confident73.9Confident163 Ų16394 Ų9476%0.76253%0.529SS*.THydrogen-bonded Turntrans-101.25.9-179.8-62-175.26.900114V762 A763 D767V762-Q765 PolarHBondContact O-N 3.2Å; A763-Q765 PolarHBondContact O-N 3.17Å; Q765-D767 PolarHBondContact O-N 2.98Å
766L64.5Low73.2Confident97 Ų9794.4 Ų94.451%0.50854%0.539SS..  trans-79.198.2-176.8-75.7166.7000112.6A763A763-L766 HydrophobicContact CB-CD1 4.48Å; A763-L766 PolarHBondContact O-N 2.72Å
767D58Low72.8Confident172 Ų17297.4 Ų97.492%0.9255%0.549SS*.  trans-103.813.3-177.3-94.4-11.1000115.9Q765Q765-D767 PolarHBondContact O-N 2.98Å
768S62.8Low72.4Confident57 Ų5795.2 Ų95.240%0.39954%0.544SS..  trans-122.2132.9-175.4-1800000114.7T770 S771S768-T770 PolarHBondContact O-N 3.16Å; S768-T770 PolarHBondContact OG-OG1 3.5Å; S768-S771 PolarHBondContact O-OG 3.05Å
769A62.4Low72Confident85 Ų8598.1 Ų98.170%0.70256%0.559SS**THydrogen-bonded Turntrans-72.3-24.4-17900000114.3L772A769-L772 WeakPolarHBondContact O-CB 3.35Å
770T60.6Low71.8Confident118 Ų118101.5 Ų101.572%0.72457%0.568SS**THydrogen-bonded Turntrans-84.6-32-176.749.50000113.2S768 L772S768-T770 PolarHBondContact O-N 3.16Å; S768-T770 PolarHBondContact OG-OG1 3.5Å; T770-L772 PolarHBondContact O-N 3.21Å
771S63.8Low71.7Confident49 Ų4998.9 Ų98.934%0.34356%0.564SS.*Hα-helixtrans-67.3-20.7171.551.90000112.3S768 I773 A775S768-S771 PolarHBondContact O-OG 3.05Å; S771-I773 PolarHBondContact O-N 2.77Å; S771-A775 WeakPolarHBondContact O-CB 3.37Å; S771-A775 PolarHBondContact O-N 2.91Å
772L69.1Low71.8Confident110 Ų11098.6 Ų98.658%0.57656%0.562SS**Hα-helixtrans-65-39.3-175.5-140.7105.7000113.8A769 T770 A776A769-L772 WeakPolarHBondContact O-CB 3.35Å; T770-L772 PolarHBondContact O-N 3.21Å; L772-A776 WeakPolarHBondContact O-CB 3.3Å; L772-A776 PolarHBondContact O-N 2.98Å
773I71.9Confident71.9Confident136 Ų13697.9 Ų97.970%0.69756%0.558SS**Hα-helixtrans-69.8-44.2-177.3-62.1176.3000111S771 A776 K777S771-I773 PolarHBondContact O-N 2.77Å; I773-A776 PolarHBondContact O-N 3.44Å; I773-K777 PolarHBondContact O-N 3.5Å; I773-K777 VanDerWaalsContact O-N 3.09Å
774Q73.1Confident72.3Confident106 Ų10698.4 Ų98.450%0.49556%0.556SS.*Hα-helixtrans-69.4-41.3178.1-174.959.536.200111.1A776 K777 N778Q774-A776 VanDerWaalsContact C-N 3.31Å; Q774-A776 PolarHBondContact O-N 3.32Å; Q774-K777 PolarHBondContact O-N 3.24Å; Q774-N778 PolarHBondContact NE2-OD1 3.47Å; Q774-N778 PolarHBondContact O-N 3.07Å
775A72.3Confident72.7Confident46 Ų4697 Ų9738%0.3855%0.547SS..Hα-helixtrans-58.8-42.6172.500000111.5S771 K777 N778 L779S771-A775 WeakPolarHBondContact O-CB 3.37Å; S771-A775 PolarHBondContact O-N 2.91Å; A775-K777 PolarHBondContact O-N 3Å; A775-N778 PolarHBondContact O-N 3.1Å; A775-L779 VanDerWaalsContact O-CB 3.25Å; A775-L779 WeakPolarHBondContact O-CB 3.35Å; A775-L779 PolarHBondContact O-N 2.91Å
776A75.6Confident73.2Confident53 Ų5393.4 Ų93.444%0.43854%0.537SS..Hα-helixtrans-62.8-38.717700000112.7L772 I773 Q774 M780L772-A776 WeakPolarHBondContact O-CB 3.3Å; L772-A776 PolarHBondContact O-N 2.98Å; I773-A776 PolarHBondContact O-N 3.44Å; Q774-A776 VanDerWaalsContact C-N 3.31Å; Q774-A776 PolarHBondContact O-N 3.32Å; A776-M780 WeakPolarHBondContact O-CB 3.46Å; A776-M780 PolarHBondContact O-N 3.42Å
777K76.5Confident73.9Confident130 Ų13092.2 Ų92.257%0.56553%0.533SS*.Hα-helixtrans-66-45.3175.5-174.4-178.3174.9-173.10111.8I773 Q774 A775 M780 N781I773-K777 PolarHBondContact O-N 3.5Å; I773-K777 VanDerWaalsContact O-N 3.09Å; Q774-K777 PolarHBondContact O-N 3.24Å; A775-K777 PolarHBondContact O-N 3Å; K777-M780 WeakPolarHBondContact O-CB 3.28Å; K777-M780 PolarHBondContact O-N 3.31Å; K777-N781 PolarHBondContact O-N 2.92Å; K777-N781 VanDerWaalsContact O-N 3.14Å
778N77.9Confident74.9Confident91 Ų9190.2 Ų90.249%0.48752%0.516SS..Hα-helixtrans-63.5-43.1177.1-71.7-3.5000111.1Q774 A775 M780 N781 A782Q774-N778 PolarHBondContact NE2-OD1 3.47Å; Q774-N778 PolarHBondContact O-N 3.07Å; A775-N778 PolarHBondContact O-N 3.1Å; N778-M780 VanDerWaalsContact C-N 3.33Å; N778-M780 PolarHBondContact O-N 3.31Å; N778-N781 PolarHBondContact O-N 3.23Å; N778-A782 PolarHBondContact O-N 2.92Å
779L77.4Confident75.7Confident114 Ų11490.4 Ų90.460%0.59752%0.521SS*.Hα-helixtrans-60.9-41.9174.9-176.163.6000111.5A775 N781 A782 V783A775-L779 VanDerWaalsContact O-CB 3.25Å; A775-L779 WeakPolarHBondContact O-CB 3.35Å; A775-L779 PolarHBondContact O-N 2.91Å; L779-N781 VanDerWaalsContact C-N 3.32Å; L779-N781 PolarHBondContact O-N 3.21Å; L779-A782 PolarHBondContact O-N 2.81Å; L779-V783 HydrophobicContact CD1-CG2 4.45Å; L779-V783 HydrophobicContact CG-CG2 4.42Å; L779-V783 VanDerWaalsContact O-CG2 3.28Å; L779-V783 WeakPolarHBondContact O-CG2 3.37Å; L779-V783 PolarHBondContact O-N 2.95Å
780M78.9Confident76.4Confident119 Ų11988.7 Ų88.759%0.58650%0.504SS*.Hα-helixtrans-59.2-43176.4-167.566.264.600111.8A776 K777 N778 V783 V784A776-M780 WeakPolarHBondContact O-CB 3.46Å; A776-M780 PolarHBondContact O-N 3.42Å; K777-M780 WeakPolarHBondContact O-CB 3.28Å; K777-M780 PolarHBondContact O-N 3.31Å; N778-M780 VanDerWaalsContact C-N 3.33Å; N778-M780 PolarHBondContact O-N 3.31Å; M780-V783 PolarHBondContact O-N 3.28Å; M780-V784 VanDerWaalsContact O-CG2 3.3Å; M780-V784 WeakPolarHBondContact O-CG2 3.46Å; M780-V784 PolarHBondContact O-N 2.85Å
781N81.7Confident77.1Confident90 Ų9087.3 Ų87.348%0.48149%0.486SS..Hα-helixtrans-63.6-44.5176.2-73.2-21.7000111.6K777 N778 L779 V783 V784 L785K777-N781 PolarHBondContact O-N 2.92Å; K777-N781 VanDerWaalsContact O-N 3.14Å; N778-N781 PolarHBondContact O-N 3.23Å; L779-N781 VanDerWaalsContact C-N 3.32Å; L779-N781 PolarHBondContact O-N 3.21Å; N781-V783 PolarHBondContact O-N 3.04Å; N781-V784 PolarHBondContact O-N 3.21Å; N781-L785 WeakPolarHBondContact O-CG 3.49Å; N781-L785 PolarHBondContact O-N 3.42Å
782A81.9Confident77.5Confident48 Ų4888.4 Ų88.440%0.39749%0.491SS..Hα-helixtrans-62-41.7176.800000112.2N778 L779 L785 T786N778-A782 PolarHBondContact O-N 2.92Å; L779-A782 PolarHBondContact O-N 2.81Å; A782-L785 PolarHBondContact O-N 3.47Å; A782-T786 WeakPolarHBondContact O-CB 3.39Å; A782-T786 PolarHBondContact O-N 2.97Å; A782-T786 PolarHBondContact O-OG1 3.46Å
783V80.1Confident77.4Confident73 Ų7386.2 Ų86.244%0.44249%0.488SS..Hα-helixtrans-62.3-45.6175.3170.60000110.9L779 M780 N781 L785 T786 V787L779-V783 HydrophobicContact CD1-CG2 4.45Å; L779-V783 HydrophobicContact CG-CG2 4.42Å; L779-V783 VanDerWaalsContact O-CG2 3.28Å; L779-V783 WeakPolarHBondContact O-CG2 3.37Å; L779-V783 PolarHBondContact O-N 2.95Å; M780-V783 PolarHBondContact O-N 3.28Å; N781-V783 PolarHBondContact O-N 3.04Å; V783-L785 PolarHBondContact O-N 3.47Å; V783-T786 PolarHBondContact O-N 2.97Å; V783-V787 WeakPolarHBondContact O-CG2 3.39Å; V783-V787 PolarHBondContact O-N 3.44Å
784V81.8Confident77.2Confident65 Ų6581.5 Ų81.539%0.39447%0.468SS..Hα-helixtrans-61.1-44.5177.2169.30000111.3M780 N781 V787 K788M780-V784 VanDerWaalsContact O-CG2 3.3Å; M780-V784 WeakPolarHBondContact O-CG2 3.46Å; M780-V784 PolarHBondContact O-N 2.85Å; N781-V784 PolarHBondContact O-N 3.21Å; V784-V787 PolarHBondContact O-N 3.17Å; V784-K788 HydrophobicContact CG1-CD 4.24Å; V784-K788 WeakPolarHBondContact O-CG 3.49Å; V784-K788 PolarHBondContact O-N 3.3Å
785L83.9Confident76.6Confident115 Ų11578.6 Ų78.660%0.60246%0.457SS*.Hα-helixtrans-62.9-42.5176.7-72.1173000111.5N781 A782 V783 V787 K788 A789N781-L785 WeakPolarHBondContact O-CG 3.49Å; N781-L785 PolarHBondContact O-N 3.42Å; A782-L785 PolarHBondContact O-N 3.47Å; V783-L785 PolarHBondContact O-N 3.47Å; L785-V787 PolarHBondContact O-N 3.26Å; L785-K788 PolarHBondContact O-N 2.98Å; L785-A789 WeakPolarHBondContact O-CB 3.3Å; L785-A789 PolarHBondContact O-N 3.17Å
786T82Confident75.8Confident87 Ų8783.2 Ų83.253%0.53447%0.469SS..Hα-helixtrans-61.5-44.4177.7-57.50000111.7A782 V783 A789 S790A782-T786 WeakPolarHBondContact O-CB 3.39Å; A782-T786 PolarHBondContact O-N 2.97Å; A782-T786 PolarHBondContact O-OG1 3.46Å; V783-T786 PolarHBondContact O-N 2.97Å; T786-A789 PolarHBondContact O-N 2.69Å; T786-S790 VanDerWaalsContact O-CB 3.27Å; T786-S790 WeakPolarHBondContact O-CB 3.41Å; T786-S790 PolarHBondContact O-N 3.24Å; T786-S790 PolarHBondContact O-OG 3.5Å
787V79.1Confident74.6Confident72 Ų7287.2 Ų87.244%0.43647%0.473SS..Hα-helixtrans-62.6-45.8176.6170.10000110.9V783 V784 L785 S790 Y791 W813V783-V787 WeakPolarHBondContact O-CG2 3.39Å; V783-V787 PolarHBondContact O-N 3.44Å; V784-V787 PolarHBondContact O-N 3.17Å; L785-V787 PolarHBondContact O-N 3.26Å; V787-S790 PolarHBondContact O-N 3.21Å; V787-Y791 WeakPolarHBondContact O-CB 3.48Å; V787-Y791 PolarHBondContact O-N 3.25Å; V787-W813 HydrophobicContact CG1-CH2 3.93Å; V787-W813 HydrophobicContact CG1-CZ3 3.89Å
788K80.8Confident73.4Confident131 Ų13187.2 Ų87.257%0.5748%0.475SS*.Hα-helixtrans-61.7-47.6177.5-74.5177.8178.1-178.90111.8V784 L785 S790 Y791 V792V784-K788 HydrophobicContact CG1-CD 4.24Å; V784-K788 WeakPolarHBondContact O-CG 3.49Å; V784-K788 PolarHBondContact O-N 3.3Å; L785-K788 PolarHBondContact O-N 2.98Å; K788-S790 PolarHBondContact O-N 3.47Å; K788-Y791 PolarHBondContact O-N 3.34Å; K788-V792 WeakPolarHBondContact O-CG2 3.42Å; K788-V792 PolarHBondContact O-N 2.97Å
789A78.6Confident72.1Confident61 Ų6192 Ų9250%0.50449%0.492SS..Hα-helixtrans-62-43.3178.400000111.6L785 T786 Y791 V792 A793L785-A789 WeakPolarHBondContact O-CB 3.3Å; L785-A789 PolarHBondContact O-N 3.17Å; T786-A789 PolarHBondContact O-N 2.69Å; A789-Y791 VanDerWaalsContact C-N 3.35Å; A789-Y791 PolarHBondContact O-N 2.84Å; A789-V792 PolarHBondContact O-N 3.24Å; A789-A793 WeakPolarHBondContact O-CB 3.41Å; A789-A793 PolarHBondContact O-N 2.94Å
790S76.3Confident70.9Confident49 Ų4991.7 Ų91.734%0.34350%0.495SS..Hα-helixtrans-63.1-39.1177.4-59.30000112.5T786 V787 K788 S794T786-S790 VanDerWaalsContact O-CB 3.27Å; T786-S790 WeakPolarHBondContact O-CB 3.41Å; T786-S790 PolarHBondContact O-N 3.24Å; T786-S790 PolarHBondContact O-OG 3.5Å; V787-S790 PolarHBondContact O-N 3.21Å; K788-S790 PolarHBondContact O-N 3.47Å; S790-S794 VanDerWaalsContact O-CB 3.29Å; S790-S794 WeakPolarHBondContact O-CB 3.41Å; S790-S794 PolarHBondContact O-N 2.98Å; S790-S794 PolarHBondContact O-OG 2.82Å
791Y75.6Confident69.4Low88 Ų8892.9 Ų92.935%0.34549%0.494SS..Hα-helixtrans-62.6-46.6173.7175.2-98.4000111.8V787 K788 A789 S794 T795 W813V787-Y791 WeakPolarHBondContact O-CB 3.48Å; V787-Y791 PolarHBondContact O-N 3.25Å; K788-Y791 PolarHBondContact O-N 3.34Å; A789-Y791 VanDerWaalsContact C-N 3.35Å; A789-Y791 PolarHBondContact O-N 2.84Å; Y791-S794 PolarHBondContact O-N 3.42Å; Y791-T795 HydrophobicContact CD2-CG2 4.13Å; Y791-T795 HydrophobicContact CE1-CG2 4.31Å; Y791-T795 HydrophobicContact CE2-CG2 3.77Å; Y791-T795 WeakPolarHBondContact O-CB 3.2Å; Y791-T795 VanDerWaalsContact O-CG2 3.31Å; Y791-T795 WeakPolarHBondContact O-CG2 3.03Å; Y791-T795 PolarHBondContact O-N 3.25Å; Y791-T795 PolarHBondContact O-OG1 3.22Å; Y791-W813 HydrophobicContact CD2-CB 3.75Å; Y791-W813 AromaticContact CD2-CD2 3.72Å; Y791-W813 HydrophobicContact CD2-CD2 3.72Å; Y791-W813 AromaticContact CD2-CE3 3.99Å; Y791-W813 HydrophobicContact CD2-CE3 3.99Å; Y791-W813 AromaticContact CD2-CG 3.6Å; Y791-W813 HydrophobicContact CD2-CG 3.6Å; Y791-W813 HydrophobicContact CE2-CB 3.89Å; Y791-W813 HydrophobicContact CE2-CG 4.24Å; Y791-W813 HydrophobicContact CG-CD2 4.46Å
792V72.4Confident67.8Low73 Ų7390.5 Ų90.544%0.44249%0.491SS..Hα-helixtrans-63.3-45.6178.1174.20000111.3K788 A789 T795 K796K788-V792 WeakPolarHBondContact O-CG2 3.42Å; K788-V792 PolarHBondContact O-N 2.97Å; A789-V792 PolarHBondContact O-N 3.24Å; V792-T795 PolarHBondContact O-OG1 3Å; V792-K796 HydrophobicContact CG1-CD 4.39Å; V792-K796 WeakPolarHBondContact O-CG 3.41Å; V792-K796 PolarHBondContact O-N 3.08Å; V792-K796 VanDerWaalsContact O-N 3.16Å
793A67.9Low66.3Low63 Ų6394.7 Ų94.752%0.52151%0.511SS..Hα-helixtrans-62.7-45.6178.800000112.1A789 Y797A789-A793 WeakPolarHBondContact O-CB 3.41Å; A789-A793 PolarHBondContact O-N 2.94Å; A793-Y797 PolarHBondContact O-N 3.01Å
794S66.4Low64.7Low38 Ų3896 Ų9627%0.26653%0.53SS..Hα-helixtrans-67.6-38.7-178-56.30000112.9S790 Y791 Q798 W813S790-S794 VanDerWaalsContact O-CB 3.29Å; S790-S794 WeakPolarHBondContact O-CB 3.41Å; S790-S794 PolarHBondContact O-N 2.98Å; S790-S794 PolarHBondContact O-OG 2.82Å; Y791-S794 PolarHBondContact O-N 3.42Å; S794-Q798 PolarHBondContact O-N 3.17Å; S794-W813 PolarHBondContact OG-NE1 3.07Å; S794-W813 VanDerWaalsContact OG-NE1 3.17Å
795T61Low62.9Low45 Ų4595.1 Ų95.128%0.27653%0.529SS..Hα-helixtrans-75.6-32.2-178.551.60000112.8Y791 V792Y791-T795 HydrophobicContact CD2-CG2 4.13Å; Y791-T795 HydrophobicContact CE1-CG2 4.31Å; Y791-T795 HydrophobicContact CE2-CG2 3.77Å; Y791-T795 WeakPolarHBondContact O-CB 3.2Å; Y791-T795 VanDerWaalsContact O-CG2 3.31Å; Y791-T795 WeakPolarHBondContact O-CG2 3.03Å; Y791-T795 PolarHBondContact O-N 3.25Å; Y791-T795 PolarHBondContact O-OG1 3.22Å; V792-T795 PolarHBondContact O-OG1 3Å
796K56.7Low61Low143 Ų14393.7 Ų93.762%0.62253%0.525SS*.Hα-helixtrans-68.4-36.9171.9-74.6-171.8178.3-175.20112.1V792 Q798 K799 V800V792-K796 HydrophobicContact CG1-CD 4.39Å; V792-K796 WeakPolarHBondContact O-CG 3.41Å; V792-K796 PolarHBondContact O-N 3.08Å; V792-K796 VanDerWaalsContact O-N 3.16Å; K796-Q798 PolarHBondContact O-N 3.08Å; K796-K799 PolarHBondContact O-N 3.31Å; K796-V800 PolarHBondContact O-N 3.36Å
797Y49.3Very low59.2Low136 Ų13697.5 Ų97.553%0.53354%0.542SS..Hα-helixtrans-60.5-42.7177.5-167-95.2000112.8A793 K799 V800 Y801 A805A793-Y797 PolarHBondContact O-N 3.01Å; Y797-K799 VanDerWaalsContact C-N 3.29Å; Y797-K799 PolarHBondContact O-N 3.45Å; Y797-V800 PolarHBondContact O-N 3.2Å; Y797-Y801 HydrophobicContact CD2-CD2 4.1Å; Y797-Y801 HydrophobicContact CD2-CE2 4.25Å; Y797-Y801 HydrophobicContact CE1-CD2 4.31Å; Y797-Y801 AromaticContact CE2-CD2 3.83Å; Y797-Y801 HydrophobicContact CE2-CD2 3.83Å; Y797-Y801 AromaticContact CE2-CE2 3.86Å; Y797-Y801 HydrophobicContact CE2-CE2 3.86Å; Y797-Y801 HydrophobicContact CG-CD2 4.46Å; Y797-Y801 AromaticContact CZ-CD2 3.94Å; Y797-Y801 PolarHBondContact O-N 3.06Å; Y797-A805 HydrophobicContact CE1-CB 4.48Å
798Q51Low57.5Low130 Ų13098.7 Ų98.761%0.60755%0.554SS**Hα-helixtrans-63.3-31.5176.5-77.5-176.3-25.700113.6S794 K796 G802S794-Q798 PolarHBondContact O-N 3.17Å; K796-Q798 PolarHBondContact O-N 3.08Å; Q798-G802 PolarHBondContact O-N 3.36Å
799K51.4Low56.1Low191 Ų19196 Ų9683%0.8355%0.55SS*.Hα-helixtrans-70.9-33.2178.2-97.5-174.9175.4-176.50113.2K796 Y797K796-K799 PolarHBondContact O-N 3.31Å; Y797-K799 VanDerWaalsContact C-N 3.29Å; Y797-K799 PolarHBondContact O-N 3.45Å
800V51.1Low55.1Low108 Ų10899.7 Ų99.766%0.65557%0.566SS**Hα-helixtrans-84.4-40.4-175.1178.40000111.9K796 Y797K796-V800 PolarHBondContact O-N 3.36Å; Y797-V800 PolarHBondContact O-N 3.2Å
801Y47.7Very low54.4Low144 Ų144101 Ų10157%0.56557%0.572SS**Hα-helixtrans-103.8-0.6-172.5-68.1-78.3000114.8Y797Y797-Y801 HydrophobicContact CD2-CD2 4.1Å; Y797-Y801 HydrophobicContact CD2-CE2 4.25Å; Y797-Y801 HydrophobicContact CE1-CD2 4.31Å; Y797-Y801 AromaticContact CE2-CD2 3.83Å; Y797-Y801 HydrophobicContact CE2-CD2 3.83Å; Y797-Y801 AromaticContact CE2-CE2 3.86Å; Y797-Y801 HydrophobicContact CE2-CE2 3.86Å; Y797-Y801 HydrophobicContact CG-CD2 4.46Å; Y797-Y801 AromaticContact CZ-CD2 3.94Å; Y797-Y801 PolarHBondContact O-N 3.06Å
802G48.2Very low54.1Low41 Ų41101.3 Ų101.342%0.42359%0.587SS.*G310 helixtrans61.3-178.5-178.800000113.4Q798 A804Q798-G802 PolarHBondContact O-N 3.36Å; G802-A804 PolarHBondContact O-N 3.48Å; G802-A804 VanDerWaalsContact O-N 3.07Å
803T51.7Low54Low135 Ų135102.2 Ų102.283%0.82858%0.582SS**G310 helixtrans-70.72.6-178.1430000114.4V806T803-V806 WeakPolarHBondContact O-CG2 3.42Å
804A46.6Very low54Low100 Ų100108.6 Ų108.683%0.82660%0.598SS**G310 helixtrans-87.9-14.9-178.300000114.1G802 V806G802-A804 PolarHBondContact O-N 3.48Å; G802-A804 VanDerWaalsContact O-N 3.07Å; A804-V806 PolarHBondContact O-N 2.83Å
805A43.8Very low54.1Low47 Ų47114.4 Ų114.439%0.38862%0.623SS.*  trans-87.430.3173.300000113.2Y797 N807Y797-A805 HydrophobicContact CE1-CB 4.48Å; A805-N807 VanDerWaalsContact C-N 3.27Å; A805-N807 PolarHBondContact O-N 3.07Å
806V43.4Very low54.4Low85 Ų85120.2 Ų120.252%0.51564%0.644SS.*  trans-90.130.8-172.7-177.80000112.7T803 A804 S808T803-V806 WeakPolarHBondContact O-CG2 3.42Å; A804-V806 PolarHBondContact O-N 2.83Å; V806-S808 PolarHBondContact O-N 2.59Å
807N43.3Very low54.5Low167 Ų167117.2 Ų117.289%0.89365%0.647SS**SBendtrans-96.983.3161.1-76.8-9.1000108.5A805A805-N807 VanDerWaalsContact C-N 3.27Å; A805-N807 PolarHBondContact O-N 3.07Å
808S44.6Very low54.6Low97 Ų97116.6 Ų116.668%0.67866%0.659SS**  trans86.471.2173.6-167.30000117.9V806 V810V806-S808 PolarHBondContact O-N 2.59Å; S808-V810 PolarHBondContact O-N 3.28Å; S808-V810 VanDerWaalsContact O-N 3.17Å
809P50.3Low54.9Low75 Ų75117.5 Ų117.549%0.48766%0.663SS.*  trans-63.5115.8153.927.8-29.4000108.4V811P809-V811 PolarHBondContact O-N 2.71Å; P809-V811 VanDerWaalsContact O-N 3.08Å
810V57.6Low54.7Low139 Ų139118.2 Ų118.284%0.84267%0.666SS**SBendtrans-54.5-29.2179.5-179.40000111.6S808S808-V810 PolarHBondContact O-N 3.28Å; S808-V810 VanDerWaalsContact O-N 3.17Å
811V63.5Low54.9Low76 Ų76122.2 Ų122.246%0.46168%0.675SS.*  trans-145136.7178.6-176.30000111.6P809 W813P809-V811 PolarHBondContact O-N 2.71Å; P809-V811 VanDerWaalsContact O-N 3.08Å; V811-W813 HydrophobicContact CG1-CD2 4.4Å; V811-W813 HydrophobicContact CG1-CZ2 4.05Å
812S68Low54.8Low94 Ų94120.7 Ų120.766%0.65768%0.683SS**  trans-105.7128.3170.972.10000111.7
813W71.3Confident54.9Low93 Ų93127.4 Ų127.435%0.35271%0.708SS.*  trans-101123.7-179.6-60.696.2000111.6V787 Y791 S794 V811V787-W813 HydrophobicContact CG1-CH2 3.93Å; V787-W813 HydrophobicContact CG1-CZ3 3.89Å; Y791-W813 HydrophobicContact CD2-CB 3.75Å; Y791-W813 AromaticContact CD2-CD2 3.72Å; Y791-W813 HydrophobicContact CD2-CD2 3.72Å; Y791-W813 AromaticContact CD2-CE3 3.99Å; Y791-W813 HydrophobicContact CD2-CE3 3.99Å; Y791-W813 AromaticContact CD2-CG 3.6Å; Y791-W813 HydrophobicContact CD2-CG 3.6Å; Y791-W813 HydrophobicContact CE2-CB 3.89Å; Y791-W813 HydrophobicContact CE2-CG 4.24Å; Y791-W813 HydrophobicContact CG-CD2 4.46Å; S794-W813 PolarHBondContact OG-NE1 3.07Å; S794-W813 VanDerWaalsContact OG-NE1 3.17Å; V811-W813 HydrophobicContact CG1-CD2 4.4Å; V811-W813 HydrophobicContact CG1-CZ2 4.05Å
814K68Low54.4Low196 Ų196126.4 Ų126.485%0.85270%0.702SS**  trans-127.7120.7172.9-68-176.3-178.8178.10110
815M68.5Low54.5Low160 Ų160130.7 Ų130.779%0.78870%0.702SS**PPolyproline II helixtrans-72133.3173.8-75.1-171.2175.500110.8
816K66.9Low54.9Low167 Ų167140 Ų14073%0.72673%0.726SS**PPolyproline II helixtrans-72.4126.9170.7-171.5-177.7172.8-168.10108.7E819K816-E819 IonicContact NZ-OE1 2.96Å; K816-E819 PolarHBondContact NZ-OE1 2.9Å
817A59.1Low54.9Low81 Ų81144.5 Ų144.567%0.66974%0.742SS**PPolyproline II helixtrans-61137.5172.700000110.1E819A817-E819 PolarHBondContact O-N 3.47Å
818P51.2Low54.9Low122 Ų122145.3 Ų145.379%0.79274%0.738SS**PPolyproline II helixtrans-58.6139.3176.4-20.930.8000111.3K820P818-K820 PolarHBondContact O-N 3.27Å
819E57.5Low55.2Low149 Ų149146.2 Ų146.270%0.69674%0.741SS**PPolyproline II helixtrans-65.5132.2175.3-73.2173.3-163.600110.2K816 A817 K821K816-E819 IonicContact NZ-OE1 2.96Å; K816-E819 PolarHBondContact NZ-OE1 2.9Å; A817-E819 PolarHBondContact O-N 3.47Å; E819-K821 PolarHBondContact O-N 3.14Å; E819-K821 VanDerWaalsContact O-N 3.09Å
820K46.1Very low54.9Low206 Ų206151.4 Ų151.490%0.89676%0.759SS**  trans-62.3112.4-178.3-67.5-176.4179.8-178.90109.3P818 P822P818-K820 PolarHBondContact O-N 3.27Å; K820-P822 WeakPolarHBondContact O-CD 3.48Å
821K54.6Low54.1Low192 Ų192153.7 Ų153.784%0.83576%0.761SS**  trans-68.4124.4172.9-68.1-176.3180178.10109.1E819 L823E819-K821 PolarHBondContact O-N 3.14Å; E819-K821 VanDerWaalsContact O-N 3.09Å; K821-L823 PolarHBondContact O-N 3.3Å
822P47.4Very low53.2Low113 Ų113159.3 Ų159.373%0.73478%0.779SS**  trans-64125.3175.6-16.528.6000110K820 V824K820-P822 WeakPolarHBondContact O-CD 3.48Å; P822-V824 PolarHBondContact O-N 3.08Å
823L48.9Very low51.7Low181 Ų181163.1 Ų163.195%0.94879%0.787SS**SBendtrans-66.8-13.7-179.2-92.4103.1000114K821K821-L823 PolarHBondContact O-N 3.3Å
824V41.7Very low49.9Very low115 Ų115165.3 Ų165.370%0.69781%0.81SS**SBendtrans-136115.8179.9-175.30000109.2P822 R826P822-V824 PolarHBondContact O-N 3.08Å; V824-R826 PolarHBondContact O-N 3.21Å
825K49.6Very low48.5Very low190 Ų190167.3 Ų167.383%0.82681%0.812SS**  trans-72.7108.7171.1-74.8-178.6176.5-179.10108.4E827K825-E827 PolarHBondContact O-N 3.49Å
826R51.8Low46.9Very low241 Ų241166.5 Ų166.591%0.90982%0.816SS**  trans-75.4101.4165.6-79.6-178.1166.1173.2-4.5108V824V824-R826 PolarHBondContact O-N 3.21Å
827E42.4Very low45.5Very low181 Ų181169.8 Ų169.885%0.84682%0.824SS**  trans-71.1131.1174.5-71.5-179.8162.500110K825K825-E827 PolarHBondContact O-N 3.49Å
828K44.8Very low44.5Very low183 Ų183177 Ų17780%0.79683%0.834SS**  trans-89.6144.5177.9-74.2-177.7177-179.40109.9E830K828-E830 VanDerWaalsContact C-N 3.27Å; K828-E830 PolarHBondContact O-N 2.9Å; K828-E830 VanDerWaalsContact O-N 3.14Å
829P49.4Very low43.9Very low117 Ų117174.5 Ų174.576%0.7683%0.831SS**THydrogen-bonded Turntrans-76.2-0.6-166-13.129.8000116
830E44.5Very low43.1Very low184 Ų184172.7 Ų172.786%0.8683%0.834SS**THydrogen-bonded Turntrans-91-2.5-168-69.1179.2163.100114.6K828 F832K828-E830 VanDerWaalsContact C-N 3.27Å; K828-E830 PolarHBondContact O-N 2.9Å; K828-E830 VanDerWaalsContact O-N 3.14Å; E830-F832 PolarHBondContact O-N 3.36Å
831E42Very low42.9Very low187 Ų187171.5 Ų171.587%0.87483%0.832SS**  trans-97.155177.3-68.5-176.3178.600112.2
832F43Very low42.5Very low193 Ų193172.2 Ų172.285%0.84684%0.835SS**  trans-105.78.3171.3-106.9-77.7000114.7E830E830-F832 PolarHBondContact O-N 3.36Å
833Q37Very low42.2Very low175 Ų175175.7 Ų175.782%0.81884%0.838SS**SBendtrans-127.2110.9178.2-70.2-170.8-3.300113.1
834T34.1Very low42.4Very low138 Ų138175.4 Ų175.485%0.84783%0.832SS**SBendtrans96.2119.7152.163.30000120.3
835R37.5Very low43Very low238 Ų238174.8 Ų174.890%0.89882%0.824SS**  trans78.484.1156.8-71.1-179.8172176.7-1.5117.3R837R835-R837 PolarHBondContact O-N 3.22Å
836V34.7Very low43.2Very low143 Ų143168.2 Ų168.287%0.86780%0.802SS**  trans-52.685.9143.6-177.60000109R838V836-R838 PolarHBondContact O-N 3.03Å
837R37.9Very low43.6Very low237 Ų237161.3 Ų161.389%0.89479%0.788SS**  trans-8698.9157.1-131.5-179.7-175.1-177.70.5105R835 G839R835-R837 PolarHBondContact O-N 3.22Å; R837-G839 PolarHBondContact O-N 3.01Å
838R39Very low44.7Very low232 Ų232158.1 Ų158.188%0.87578%0.781SS**  trans-45.7111.8166.9-86-179.9172.1172.7-2.8107.1V836 S840V836-R838 PolarHBondContact O-N 3.03Å; R838-S840 PolarHBondContact O-N 3.29Å
839G38.3Very low45.7Very low70 Ų70155 Ų15572%0.72277%0.769SS**  trans-57.8113.9167.200000106.9R837 Q841R837-G839 PolarHBondContact O-N 3.01Å; G839-Q841 PolarHBondContact O-N 2.75Å; G839-Q841 VanDerWaalsContact O-N 3.17Å
840S41.2Very low46.6Very low111 Ų111151.6 Ų151.678%0.77675%0.75SS**  trans-55.9121.9160.8450000106R838 K842R838-S840 PolarHBondContact O-N 3.29Å; S840-K842 PolarHBondContact O-N 3.23Å
841Q42.2Very low47.2Very low181 Ų181148.7 Ų148.785%0.84674%0.74SS**  trans-48.5119.1167.3-72.4-170-25.100106.8G839 K843G839-Q841 PolarHBondContact O-N 2.75Å; G839-Q841 VanDerWaalsContact O-N 3.17Å; Q841-K843 PolarHBondContact O-N 2.94Å
842K44.3Very low48.3Very low206 Ų206143.7 Ų143.790%0.89673%0.726SS**  trans-59.797.8168.3-77.3-174.9174.3-175.80105.6S840 H844S840-K842 PolarHBondContact O-N 3.23Å; K842-H844 PolarHBondContact O-N 3.35Å
843K42.7Very low49.3Very low186 Ų186142.1 Ų142.181%0.80972%0.721SS**  trans-55.2123.7169.3-82-173.7174-176.30106Q841 I845Q841-K843 PolarHBondContact O-N 2.94Å; K843-I845 VanDerWaalsContact C-N 3.29Å; K843-I845 PolarHBondContact O-N 3.5Å
844H52.2Low49.9Very low175 Ų175142.2 Ų142.281%0.8172%0.719SS**  trans-63.996.2168.3-174.2-78.5000106.8K842 S846K842-H844 PolarHBondContact O-N 3.35Å; H844-S846 PolarHBondContact O-N 2.96Å
845I53.7Low50.3Low103 Ų103144.8 Ų144.853%0.52872%0.719SS.*  trans-70.4119.4175.6-67.5169.9000105.9K843 Q849 A850K843-I845 VanDerWaalsContact C-N 3.29Å; K843-I845 PolarHBondContact O-N 3.5Å; I845-Q849 HydrophobicContact CG2-CB 4.06Å; I845-A850 HydrophobicContact CG2-CB 4.14Å
846S54.9Low50.5Low52 Ų52137.9 Ų137.936%0.36471%0.713SS.*  trans-67.6145.9175.988.60000108.9H844 V848 Q849 A850H844-S846 PolarHBondContact O-N 2.96Å; S846-V848 PolarHBondContact O-N 3.17Å; S846-V848 VanDerWaalsContact O-N 3.07Å; S846-Q849 WeakPolarHBondContact O-CB 3.48Å; S846-Q849 PolarHBondContact O-N 2.8Å; S846-A850 PolarHBondContact O-N 3.18Å
847P59.7Low50.7Low96 Ų96140 Ų14062%0.62372%0.715SS**Hα-helixtrans-52.8-33.6-176.9-28.235000114.1Q849 A850 L851P847-Q849 VanDerWaalsContact C-N 3.34Å; P847-Q849 PolarHBondContact O-N 3.44Å; P847-A850 PolarHBondContact O-N 3.09Å; P847-L851 WeakPolarHBondContact O-CG 3.46Å; P847-L851 PolarHBondContact O-N 3.01Å; P847-L851 VanDerWaalsContact O-N 3.14Å
848V65.7Low51Low113 Ų113136.6 Ų136.669%0.68572%0.715SS**Hα-helixtrans-64.4-37.6176.8-179.20000111.8S846 A850 L851 S852S846-V848 PolarHBondContact O-N 3.17Å; S846-V848 VanDerWaalsContact O-N 3.07Å; V848-A850 VanDerWaalsContact C-N 3.34Å; V848-L851 PolarHBondContact O-N 3.32Å; V848-S852 PolarHBondContact O-N 2.8Å
849Q65.8Low51.2Low119 Ų119130.7 Ų130.756%0.55671%0.709SS**Hα-helixtrans-74.5-24.5178.7-162.8173.829.900112.5I845 S846 P847 S852I845-Q849 HydrophobicContact CG2-CB 4.06Å; S846-Q849 WeakPolarHBondContact O-CB 3.48Å; S846-Q849 PolarHBondContact O-N 2.8Å; P847-Q849 VanDerWaalsContact C-N 3.34Å; P847-Q849 PolarHBondContact O-N 3.44Å; Q849-S852 PolarHBondContact O-OG 3.07Å; Q849-S852 VanDerWaalsContact O-OG 3.08Å
850A67.7Low51.3Low44 Ų44140.9 Ų140.936%0.36473%0.734SS.*Hα-helixtrans-76.8-29.617100000112.2I845 S846 P847 V848I845-A850 HydrophobicContact CG2-CB 4.14Å; S846-A850 PolarHBondContact O-N 3.18Å; P847-A850 PolarHBondContact O-N 3.09Å; V848-A850 VanDerWaalsContact C-N 3.34Å
851L58Low51.8Low123 Ų123142.4 Ų142.464%0.64473%0.732SS**Hα-helixtrans-76.5-26.6178.7-75.1164.2000113.1P847 V848 E853 F854P847-L851 WeakPolarHBondContact O-CG 3.46Å; P847-L851 PolarHBondContact O-N 3.01Å; P847-L851 VanDerWaalsContact O-N 3.14Å; V848-L851 PolarHBondContact O-N 3.32Å; L851-E853 PolarHBondContact O-N 2.94Å; L851-E853 VanDerWaalsContact O-N 3.17Å; L851-F854 PolarHBondContact O-N 3.45Å
852S65.4Low52.3Low82 Ų82140.3 Ų140.357%0.57373%0.726SS**THydrogen-bonded Turntrans-68.9-9.8177.765.40000114.3V848 Q849 F854V848-S852 PolarHBondContact O-N 2.8Å; Q849-S852 PolarHBondContact O-OG 3.07Å; Q849-S852 VanDerWaalsContact O-OG 3.08Å; S852-F854 PolarHBondContact O-N 3.27Å
853E62.8Low52.8Low161 Ų161136.7 Ų136.775%0.75272%0.717SS**THydrogen-bonded Turntrans-75.8-9.9174.8-66.9-174.4173.600113L851L851-E853 PolarHBondContact O-N 2.94Å; L851-E853 VanDerWaalsContact O-N 3.17Å
854F50.7Low53.4Low177 Ų177133.8 Ų133.878%0.77671%0.711SS**  trans-101.848.2177.7-66.6-82.9000113.2L851 S852L851-F854 PolarHBondContact O-N 3.45Å; S852-F854 PolarHBondContact O-N 3.27Å
855K42.1Very low53.4Low191 Ų191131.2 Ų131.283%0.8371%0.705SS**  trans-94.7118161.1-88.1-172174.7-178.80109.7M857K855-M857 PolarHBondContact O-N 3.21Å
856A40.8Very low53.4Low94 Ų94133.1 Ų133.178%0.77772%0.717SS**  trans-52.8123.8176.900000110.5D858A856-D858 PolarHBondContact O-N 3.14Å
857M39.4Very low53.3Low187 Ų187138.9 Ų138.992%0.92174%0.742SS**  trans-73.6115.7166.2-90.4-177.7150.200107.9K855 S859K855-M857 PolarHBondContact O-N 3.21Å; M857-S859 PolarHBondContact O-N 3.21Å
858D44.6Very low52.8Low165 Ų165142.2 Ų142.288%0.88275%0.751SS**  trans-50.8120.8169.3-69.9-44.4000110.1A856 F860A856-D858 PolarHBondContact O-N 3.14Å; D858-F860 PolarHBondContact O-N 3.33Å
859S41.9Very low51.8Low109 Ų109144.6 Ų144.676%0.76276%0.757SS**  trans-79.5112.2176.649.30000110.4M857M857-S859 PolarHBondContact O-N 3.21Å
860F41.8Very low50.5Low283 Ų283146.9 Ų146.9100%1.24178%0.775SS**  trans35.60155.7-67-77.4000120.4D858D858-F860 PolarHBondContact O-N 3.33Å

Retrieved 860 of 860 residues in 310.4 ms (Link to these results)

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