A0A077YYI9_TRITR Loading...

N-terminal kinase-like protein

Regulates COPI-mediated retrograde protein traffic at the interface between the Golgi apparatus and the endoplasmic reticulum. Involved in the maintenance of the Golgi apparatus morphology.

AlphaFold DB , UniProt , Accession A0A077YYI9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,007 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
1M66.6Low83.3Confident171 Ų17177.5 Ų77.584%0.84240%0.399SS*.  0118.80-158.7-176.3-65.200107.3I3M1-I3 PolarHBondContact O-N 2.86Å
2R80.9Confident83.1Confident77 Ų7786.7 Ų86.729%0.29143%0.427SS..  trans-86.5112.6-171.1-71.2179.7-179.6-165.8-0.6109.5S10 D11 F17 L19 M59 Q60 D62R2-S10 VanDerWaalsContact O-CA 3.31Å; R2-S10 WeakPolarHBondContact O-CA 3.3Å; R2-D11 HydrophobicContact CB-CB 4.48Å; R2-D11 WeakPolarHBondContact CB-OD2 3.37Å; R2-D11 PolarHBondContact N-OD1 3.27Å; R2-D11 PolarHBondContact N-OD2 3.49Å; R2-D11 PolarHBondContact O-N 3.49Å; R2-F17 WeakPolarHBondContact O-CE1 3.46Å; R2-L19 HydrophobicContact CB-CD1 3.66Å; R2-L19 HydrophobicContact CB-CG 4.41Å; R2-L19 HydrophobicContact CG-CD1 4.25Å; R2-M59 HydrophobicContact CG-CE 4.43Å; R2-M59 PolarHBondContact NH1-O 3.43Å; R2-Q60 PolarHBondContact NH2-O 3.01Å; R2-D62 IonicContact CZ-OD1 3.66Å; R2-D62 IonicContact NE-OD1 2.77Å; R2-D62 PolarHBondContact NE-OD1 3.45Å; R2-D62 IonicContact NH2-OD1 3.01Å; R2-D62 PolarHBondContact NH2-OD1 3.46Å
3I85.8Confident82.7Confident88 Ų8890.2 Ų90.245%0.45145%0.449SS..BIsolated β-bridgetrans-118.8133.1-174-56.8172.2000109.8M1 P5 G9M1-I3 PolarHBondContact O-N 2.86Å; I3-P5 WeakPolarHBondContact O-CD 3.48Å; I3-G9 WeakPolarHBondContact CA-O 3.25Å
4C87.8Confident82.2Confident0 Ų089.1 Ų89.10%045%0.446CS..  trans-80121.4171.3175.30000110K6 K8 G9 F17 L19 C29C4-K6 PolarHBondContact O-N 3Å; C4-K8 WeakPolarHBondContact O-CA 3.49Å; C4-K8 PolarHBondContact O-N 3.27Å; C4-G9 PolarHBondContact N-O 3.11Å; C4-F17 HydrophobicContact CB-CE2 4.39Å; C4-F17 HydrophobicContact CB-CZ 3.7Å; C4-L19 HydrophobicContact CB-CD2 4Å; C4-C29 HydrophobicContact CB-CB 3.86Å; C4-C29 PolarHBondContact SG-N 3.28Å
5P85.5Confident81.8Confident85 Ų85100.2 Ų100.255%0.55248%0.48SS*.THydrogen-bonded Turntrans-63.1-25.8-178.721.9-31000113.4I3 P27I3-P5 WeakPolarHBondContact O-CD 3.48Å; P5-P27 WeakPolarHBondContact CD-O 3.33Å; P5-P27 VanDerWaalsContact CG-O 3.24Å; P5-P27 WeakPolarHBondContact CG-O 3.4Å
6K84.8Confident81.7Confident95 Ų95104.6 Ų104.641%0.41350%0.5SS..THydrogen-bonded Turntrans-78.2-54.4179.9-174.2-176.6178.9-146.60113.3C4 L28 C32 V36C4-K6 PolarHBondContact O-N 3Å; K6-L28 HydrophobicContact CB-CD2 3.8Å; K6-C32 HydrophobicContact CB-CB 4.46Å; K6-C32 HydrophobicContact CD-CB 4.04Å; K6-V36 HydrophobicContact CD-CG2 3.49Å; K6-V36 VanDerWaalsContact CD-CG2 3.49Å; K6-V36 VanDerWaalsContact CE-CG2 3.48Å
7C88Confident82Confident67 Ų67100.4 Ų100.445%0.45348%0.479SS..THydrogen-bonded Turntrans-99-5.6-176670000114.1G9 C32C7-G9 PolarHBondContact O-N 3.26Å; C7-G9 PolarHBondContact SG-N 3.17Å; C7-G9 VanDerWaalsContact SG-N 3.44Å; C7-C32 VanDerWaalsContact CB-SG 3.59Å; C7-C32 VanDerWaalsContact SG-SG 3.65Å
8K85.4Confident82.5Confident177 Ų17797.1 Ų97.177%0.7747%0.466SS*.  trans56.116.5-173.1-54.3-172.3178.9-174.90114.4C4C4-K8 WeakPolarHBondContact O-CA 3.49Å; C4-K8 PolarHBondContact O-N 3.27Å
9G84.4Confident83Confident21 Ų2192.4 Ų92.422%0.21644%0.444CS..  trans-68.2153.9171.300000111.1I3 C4 C7 F17I3-G9 WeakPolarHBondContact CA-O 3.25Å; C4-G9 PolarHBondContact N-O 3.11Å; C7-G9 PolarHBondContact O-N 3.26Å; C7-G9 PolarHBondContact SG-N 3.17Å; C7-G9 VanDerWaalsContact SG-N 3.44Å; G9-F17 VanDerWaalsContact C-CE2 3.47Å; G9-F17 WeakPolarHBondContact O-CZ 3.29Å
10S84.5Confident83.5Confident12 Ų1289.1 Ų89.18%0.08443%0.428CS..BIsolated β-bridgetrans-136.9158.8179.765.70000112.4R2 Y12 N13 N14R2-S10 VanDerWaalsContact O-CA 3.31Å; R2-S10 WeakPolarHBondContact O-CA 3.3Å; S10-Y12 PolarHBondContact O-N 3.03Å; S10-N13 PolarHBondContact O-N 2.89Å; S10-N14 PolarHBondContact O-N 3.12Å
11D82.1Confident83.9Confident60 Ų6084.8 Ų84.832%0.32141%0.407SS..THydrogen-bonded Turntrans-60.6-28.7170.455.4-5.4000113.5R2 N13 N14 F17R2-D11 HydrophobicContact CB-CB 4.48Å; R2-D11 WeakPolarHBondContact CB-OD2 3.37Å; R2-D11 PolarHBondContact N-OD1 3.27Å; R2-D11 PolarHBondContact N-OD2 3.49Å; R2-D11 PolarHBondContact O-N 3.49Å; D11-N13 VanDerWaalsContact C-N 3.33Å; D11-N13 PolarHBondContact O-N 3.25Å; D11-N14 CarbonylContact O-C 3.51Å; D11-F17 HydrophobicContact CB-CD1 4.23Å
12Y81.1Confident85.1Confident187 Ų18776.7 Ų76.773%0.73337%0.367SS*.THydrogen-bonded Turntrans-61.3-40.1175.8-173-100.6000112.8S10S10-Y12 PolarHBondContact O-N 3.03Å
13N78Confident85.3Confident132 Ų13275.9 Ų75.971%0.70637%0.367SS*.THydrogen-bonded Turntrans-89.5-18.2-176.5-68.9-16.5000113.4S10 D11S10-N13 PolarHBondContact O-N 2.89Å; D11-N13 VanDerWaalsContact C-N 3.33Å; D11-N13 PolarHBondContact O-N 3.25Å
14N76.1Confident85.4Confident76 Ų7672.3 Ų72.341%0.40635%0.35SS..  trans-145.4113.9-176-179.72.7000110.8S10 D11 E16 F17S10-N14 PolarHBondContact O-N 3.12Å; D11-N14 CarbonylContact O-C 3.51Å; N14-E16 PolarHBondContact O-N 2.83Å; N14-E16 PolarHBondContact OD1-N 3.14Å; N14-F17 HydrophobicContact CB-CB 4.14Å; N14-F17 WeakPolarHBondContact O-CB 3.23Å; N14-F17 PolarHBondContact O-N 2.99Å
15R76.7Confident85.4Confident255 Ų25573.1 Ų73.196%0.96236%0.358SS*.THydrogen-bonded Turntrans-66.5-22.1179.1-71.6-172.4176.4-175.20.7113.9F17R15-F17 VanDerWaalsContact C-N 3.25Å
16E80Confident85.6Confident171 Ų17172.4 Ų72.480%0.79935%0.347SS*.THydrogen-bonded Turntrans-8910174.6-61.1-172.6165.500112.4N14 V18N14-E16 PolarHBondContact O-N 2.83Å; N14-E16 PolarHBondContact OD1-N 3.14Å; E16-V18 PolarHBondContact O-N 2.9Å; E16-V18 VanDerWaalsContact O-N 3.17Å
17F86.8Confident86Confident33 Ų3369.1 Ų69.115%0.14534%0.335CS..  trans-71.6111-179.6-168.8-99.1000111.3R2 C4 G9 D11 N14 R15 L19 C29R2-F17 WeakPolarHBondContact O-CE1 3.46Å; C4-F17 HydrophobicContact CB-CE2 4.39Å; C4-F17 HydrophobicContact CB-CZ 3.7Å; G9-F17 VanDerWaalsContact C-CE2 3.47Å; G9-F17 WeakPolarHBondContact O-CZ 3.29Å; D11-F17 HydrophobicContact CB-CD1 4.23Å; N14-F17 HydrophobicContact CB-CB 4.14Å; N14-F17 WeakPolarHBondContact O-CB 3.23Å; N14-F17 PolarHBondContact O-N 2.99Å; R15-F17 VanDerWaalsContact C-N 3.25Å; F17-L19 HydrophobicContact CE1-CD2 3.79Å; F17-L19 HydrophobicContact CE1-CG 3.87Å; F17-L19 HydrophobicContact CZ-CD2 4.06Å; F17-C29 HydrophobicContact CD2-CB 4.22Å; F17-C29 HydrophobicContact CE1-CB 4.41Å; F17-C29 HydrophobicContact CE2-CB 3.5Å; F17-C29 HydrophobicContact CZ-CB 3.62Å
18V90.5Very high86.1Confident40 Ų4066.1 Ų66.124%0.24232%0.315CS..  trans-114.2120.4178.4-179.10000109.6E16 M20 C29 R30 V58E16-V18 PolarHBondContact O-N 2.9Å; E16-V18 VanDerWaalsContact O-N 3.17Å; V18-M20 HydrophobicContact CG1-SD 4.37Å; V18-C29 CarbonylContact O-C 3.59Å; V18-C29 VanDerWaalsContact O-CA 3.25Å; V18-C29 WeakPolarHBondContact O-CA 3.45Å; V18-R30 PolarHBondContact O-N 3.31Å; V18-V58 HydrophobicContact CG1-CB 4.35Å; V18-V58 HydrophobicContact CG1-CG1 3.68Å; V18-V58 HydrophobicContact CG1-CG2 3.94Å
19L91.8Very high86.5Confident9 Ų958 Ų585%0.04728%0.28CS..EExtended strand (participates in β ladder)trans-81.8139.8166.6-74.2-178.6000110.3R2 C4 F17 P27 C29 M59R2-L19 HydrophobicContact CB-CD1 3.66Å; R2-L19 HydrophobicContact CB-CG 4.41Å; R2-L19 HydrophobicContact CG-CD1 4.25Å; C4-L19 HydrophobicContact CB-CD2 4Å; F17-L19 HydrophobicContact CE1-CD2 3.79Å; F17-L19 HydrophobicContact CE1-CG 3.87Å; F17-L19 HydrophobicContact CZ-CD2 4.06Å; L19-P27 HydrophobicContact CD1-CB 4.36Å; L19-P27 HydrophobicContact CD2-CB 4.48Å; L19-C29 HydrophobicContact CD2-CB 4.3Å; L19-M59 HydrophobicContact CB-CB 4.19Å; L19-M59 HydrophobicContact CB-CE 4.24Å; L19-M59 HydrophobicContact CB-SD 4.26Å; L19-M59 HydrophobicContact CD1-CE 3.75Å; L19-M59 HydrophobicContact CD1-SD 4.32Å; L19-M59 WeakPolarHBondContact O-CB 3.41Å; L19-M59 PolarHBondContact O-N 3.09Å
20M92.6Very high86.9Confident25 Ų2562.7 Ų62.712%0.12329%0.291CS..EExtended strand (participates in β ladder)trans-123.7142.4180-53.9-93.6-6700108.2V18 P27 L28 R30 V33 F56 W57 V58V18-M20 HydrophobicContact CG1-SD 4.37Å; M20-P27 CarbonylContact O-C 3.54Å; M20-P27 WeakPolarHBondContact O-CA 3.3Å; M20-L28 WeakPolarHBondContact CB-O 3.38Å; M20-L28 PolarHBondContact N-O 3.4Å; M20-L28 PolarHBondContact O-N 2.88Å; M20-R30 HydrophobicContact CG-CB 4.33Å; M20-V33 HydrophobicContact CB-CG2 4Å; M20-V33 HydrophobicContact CG-CG2 4.35Å; M20-F56 HydrophobicContact CB-CB 4.37Å; M20-F56 HydrophobicContact CB-CD1 4.26Å; M20-F56 HydrophobicContact CE-CB 3.82Å; M20-W57 CarbonylContact C-O 3.59Å; M20-W57 WeakPolarHBondContact CA-O 3.5Å; M20-V58 HydrophobicContact SD-CG2 3.76Å
21V92.3Very high87.2Confident0 Ų067.5 Ų67.50%032%0.316CS..EExtended strand (participates in β ladder)trans-125.7159.6179.5177.90000109.1P27 F56 W57 M59 E67V21-P27 HydrophobicContact CG2-CB 3.93Å; V21-F56 CarbonylContact O-C 3.51Å; V21-F56 VanDerWaalsContact O-CA 3.29Å; V21-F56 WeakPolarHBondContact O-CA 3.36Å; V21-W57 HydrophobicContact CG1-CZ2 4.2Å; V21-W57 PolarHBondContact N-O 2.98Å; V21-W57 PolarHBondContact O-N 2.95Å; V21-M59 HydrophobicContact CG2-CB 3.97Å; V21-M59 HydrophobicContact CG2-CG 3.65Å; V21-M59 HydrophobicContact CG2-SD 3.59Å; V21-M59 VanDerWaalsContact CG2-SD 3.59Å; V21-E67 HydrophobicContact CG1-CB 4.5Å
22N91.3Very high87.7Confident0 Ų065.1 Ų65.10%030%0.304CS..  trans-133.3-179.5175.6-151.9-37.2000109.1C24 G25 L51 T55 F56 W57N22-C24 PolarHBondContact O-N 3.29Å; N22-G25 PolarHBondContact O-N 3.43Å; N22-L51 HydrophobicContact CB-CD1 4.01Å; N22-T55 PolarHBondContact ND2-OG1 3.18Å; N22-T55 PolarHBondContact OD1-O 3.4Å; N22-T55 PolarHBondContact OD1-OG1 3.46Å; N22-F56 HydrophobicContact CB-CD1 3.79Å; N22-F56 HydrophobicContact CB-CD2 4.45Å; N22-F56 HydrophobicContact CB-CE1 3.68Å; N22-F56 HydrophobicContact CB-CE2 4.36Å; N22-F56 HydrophobicContact CB-CG 4.17Å; N22-F56 HydrophobicContact CB-CZ 3.97Å; N22-F56 WeakPolarHBondContact ND2-CD2 3.49Å; N22-F56 WeakPolarHBondContact ND2-CE2 3.4Å; N22-W57 VanDerWaalsContact CA-CZ3 3.46Å
23E86.5Confident88.2Confident61 Ų6156.4 Ų56.429%0.28527%0.27SS..THydrogen-bonded Turntrans-55.9-18.9-178.966.7-174176.800114.8G25 L51 Y71 F72E23-G25 VanDerWaalsContact C-N 3.35Å; E23-L51 HydrophobicContact CG-CD2 4.08Å; E23-Y71 HydrophobicContact CB-CE1 4.22Å; E23-F72 HydrophobicContact CB-CZ 4.45Å
24C87.3Confident88.9Confident13 Ų1355 Ų559%0.08826%0.259CS..THydrogen-bonded Turntrans-83.5-1.417476.30000115.1N22 H26 L51N22-C24 PolarHBondContact O-N 3.29Å; C24-H26 VanDerWaalsContact C-N 3.26Å; C24-H26 PolarHBondContact O-CE1 3.3Å; C24-H26 VanDerWaalsContact O-CE1 3.32Å; C24-H26 PolarHBondContact O-N 3.44Å; C24-H26 VanDerWaalsContact O-N 3.15Å; C24-H26 PolarHBondContact O-ND1 3.29Å; C24-H26 PolarHBondContact SG-ND1 2.92Å; C24-H26 VanDerWaalsContact SG-ND1 3.42Å; C24-L51 HydrophobicContact CB-CD1 4.49Å; C24-L51 HydrophobicContact CB-CD2 4.47Å
25G87.7Confident89.6Confident16 Ų1656.3 Ų56.317%0.16527%0.27CS..  trans73.8-2177.900000117.1N22 E23 P27 P64 V68N22-G25 PolarHBondContact O-N 3.43Å; E23-G25 VanDerWaalsContact C-N 3.35Å; G25-P27 WeakPolarHBondContact O-CD 3.46Å; G25-P64 WeakPolarHBondContact O-CB 3.38Å; G25-V68 VanDerWaalsContact CA-CG2 3.4Å
26H90.4Very high90.3Very high70 Ų7046 Ų4632%0.32424%0.235SC..  trans-88.4118.7-176.4-6393.5000112.5C24 A46C24-H26 VanDerWaalsContact C-N 3.26Å; C24-H26 PolarHBondContact O-CE1 3.3Å; C24-H26 VanDerWaalsContact O-CE1 3.32Å; C24-H26 PolarHBondContact O-N 3.44Å; C24-H26 VanDerWaalsContact O-N 3.15Å; C24-H26 PolarHBondContact O-ND1 3.29Å; C24-H26 PolarHBondContact SG-ND1 2.92Å; C24-H26 VanDerWaalsContact SG-ND1 3.42Å; H26-A46 HydrophobicContact CB-CB 4.12Å; H26-A46 WeakPolarHBondContact CD2-CB 3.48Å
27P91.7Very high90.9Very high26 Ų2637.8 Ų37.817%0.16920%0.197CC..  trans-77.3139.4-177.929.6-34000112.7P5 L19 M20 V21 G25 M59 P64P5-P27 WeakPolarHBondContact CD-O 3.33Å; P5-P27 VanDerWaalsContact CG-O 3.24Å; P5-P27 WeakPolarHBondContact CG-O 3.4Å; L19-P27 HydrophobicContact CD1-CB 4.36Å; L19-P27 HydrophobicContact CD2-CB 4.48Å; M20-P27 CarbonylContact O-C 3.54Å; M20-P27 WeakPolarHBondContact O-CA 3.3Å; V21-P27 HydrophobicContact CG2-CB 3.93Å; G25-P27 WeakPolarHBondContact O-CD 3.46Å; P27-M59 HydrophobicContact CB-SD 4.04Å; P27-P64 HydrophobicContact CG-CG 4.28Å
28L91.9Very high91Very high5 Ų539.4 Ų39.43%0.02622%0.216CC..EExtended strand (participates in β ladder)trans-136.6142.9172.4-69.2173.4000109.6K6 M20 C32 V33 F37 P45 F56K6-L28 HydrophobicContact CB-CD2 3.8Å; M20-L28 WeakPolarHBondContact CB-O 3.38Å; M20-L28 PolarHBondContact N-O 3.4Å; M20-L28 PolarHBondContact O-N 2.88Å; L28-C32 HydrophobicContact CB-CB 4.3Å; L28-C32 HydrophobicContact CD2-CB 4.45Å; L28-V33 HydrophobicContact CB-CG2 3.7Å; L28-V33 HydrophobicContact CD1-CG2 4.4Å; L28-F37 HydrophobicContact CD1-CE2 3.87Å; L28-P45 HydrophobicContact CD1-CG 4.18Å; L28-P45 HydrophobicContact CD2-CG 4.37Å; L28-F56 HydrophobicContact CD1-CE1 4.38Å
29C92.4Very high90.9Very high6 Ų648.5 Ų48.54%0.04125%0.246CC..EExtended strand (participates in β ladder)trans-67.7154.1173.272.10000110.9C4 F17 V18 L19 N31 C32 V33C4-C29 HydrophobicContact CB-CB 3.86Å; C4-C29 PolarHBondContact SG-N 3.28Å; F17-C29 HydrophobicContact CD2-CB 4.22Å; F17-C29 HydrophobicContact CE1-CB 4.41Å; F17-C29 HydrophobicContact CE2-CB 3.5Å; F17-C29 HydrophobicContact CZ-CB 3.62Å; V18-C29 CarbonylContact O-C 3.59Å; V18-C29 VanDerWaalsContact O-CA 3.25Å; V18-C29 WeakPolarHBondContact O-CA 3.45Å; L19-C29 HydrophobicContact CD2-CB 4.3Å; C29-N31 PolarHBondContact O-N 3.28Å; C29-N31 VanDerWaalsContact O-N 3.15Å; C29-C32 WeakPolarHBondContact O-CA 3.43Å; C29-C32 WeakPolarHBondContact O-CB 3.5Å; C29-C32 PolarHBondContact O-N 3.23Å; C29-C32 PolarHBondContact SG-N 2.86Å; C29-C32 VanDerWaalsContact SG-N 3.45Å; C29-V33 PolarHBondContact O-N 3.31Å
30R93.2Very high90.7Very high120 Ų12053.9 Ų53.945%0.45327%0.271SS..Hα-helixtrans-46.5-47.4179.7-175.6178.9-72.8-162.8-1.4112.7V18 M20 C32 V33 E34V18-R30 PolarHBondContact O-N 3.31Å; M20-R30 HydrophobicContact CG-CB 4.33Å; R30-C32 PolarHBondContact O-N 3.4Å; R30-V33 WeakPolarHBondContact O-CB 3.5Å; R30-V33 PolarHBondContact O-N 3.01Å; R30-V33 VanDerWaalsContact O-N 3.16Å; R30-E34 PolarHBondContact O-N 3.22Å
31N91.3Very high90.7Very high113 Ų11355.6 Ų55.660%0.60429%0.286SS*.Hα-helixtrans-63.5-40178.9-62.231.2000112C29 V33 E34 V35C29-N31 PolarHBondContact O-N 3.28Å; C29-N31 VanDerWaalsContact O-N 3.15Å; N31-V33 VanDerWaalsContact C-N 3.34Å; N31-E34 PolarHBondContact O-N 3.19Å; N31-V35 VanDerWaalsContact O-CG2 3.26Å; N31-V35 WeakPolarHBondContact O-CG2 3.38Å; N31-V35 PolarHBondContact O-N 3.4Å
32C92.4Very high90.6Very high9 Ų956.1 Ų56.16%0.06129%0.291CS..Hα-helixtrans-64.7-39.1175.1-79.90000111.8K6 C7 L28 C29 R30 V35 V36K6-C32 HydrophobicContact CB-CB 4.46Å; K6-C32 HydrophobicContact CD-CB 4.04Å; C7-C32 VanDerWaalsContact CB-SG 3.59Å; C7-C32 VanDerWaalsContact SG-SG 3.65Å; L28-C32 HydrophobicContact CB-CB 4.3Å; L28-C32 HydrophobicContact CD2-CB 4.45Å; C29-C32 WeakPolarHBondContact O-CA 3.43Å; C29-C32 WeakPolarHBondContact O-CB 3.5Å; C29-C32 PolarHBondContact O-N 3.23Å; C29-C32 PolarHBondContact SG-N 2.86Å; C29-C32 VanDerWaalsContact SG-N 3.45Å; R30-C32 PolarHBondContact O-N 3.4Å; C32-V35 PolarHBondContact O-N 3.33Å; C32-V36 WeakPolarHBondContact O-CB 3.22Å; C32-V36 VanDerWaalsContact O-CG2 3.23Å; C32-V36 WeakPolarHBondContact O-CG2 3.25Å; C32-V36 PolarHBondContact O-N 3.45Å
33V92.4Very high90.6Very high4 Ų459.8 Ų59.82%0.02431%0.314CS..Hα-helixtrans-62.1-45174.6176.70000110.4M20 L28 C29 R30 N31 V35 F37 K53 F56M20-V33 HydrophobicContact CB-CG2 4Å; M20-V33 HydrophobicContact CG-CG2 4.35Å; L28-V33 HydrophobicContact CB-CG2 3.7Å; L28-V33 HydrophobicContact CD1-CG2 4.4Å; C29-V33 PolarHBondContact O-N 3.31Å; R30-V33 WeakPolarHBondContact O-CB 3.5Å; R30-V33 PolarHBondContact O-N 3.01Å; R30-V33 VanDerWaalsContact O-N 3.16Å; N31-V33 VanDerWaalsContact C-N 3.34Å; V33-V35 VanDerWaalsContact C-N 3.32Å; V33-V35 PolarHBondContact O-N 2.96Å; V33-F37 HydrophobicContact CB-CD2 4.5Å; V33-F37 HydrophobicContact CG1-CD2 4.03Å; V33-F37 WeakPolarHBondContact O-CB 3.44Å; V33-F37 WeakPolarHBondContact O-CD2 3.23Å; V33-F37 PolarHBondContact O-N 3.47Å; V33-K53 HydrophobicContact CG1-CG 4.38Å; V33-F56 HydrophobicContact CG1-CB 4.31Å; V33-F56 HydrophobicContact CG1-CD1 4.35Å; V33-F56 HydrophobicContact CG1-CD2 3.8Å; V33-F56 HydrophobicContact CG1-CE2 4.2Å; V33-F56 HydrophobicContact CG1-CG 3.9Å; V33-F56 HydrophobicContact CG2-CD1 3.9Å; V33-F56 HydrophobicContact CG2-CE1 4.07Å; V33-F56 HydrophobicContact CG2-CG 4.26Å
34E92Very high90.8Very high103 Ų10357 Ų5748%0.48130%0.302SS..Hα-helixtrans-61.9-38.7178.2-71.3-172.917800113.2R30 N31 A38R30-E34 PolarHBondContact O-N 3.22Å; N31-E34 PolarHBondContact O-N 3.19Å; E34-A38 WeakPolarHBondContact O-CA 3.2Å; E34-A38 PolarHBondContact O-N 3.07Å
35V91.4Very high90.7Very high103 Ų10359.7 Ų59.762%0.62432%0.319SS*.Hα-helixtrans-77.2-46.6-179.6174.50000112.3N31 C32 V33N31-V35 VanDerWaalsContact O-CG2 3.26Å; N31-V35 WeakPolarHBondContact O-CG2 3.38Å; N31-V35 PolarHBondContact O-N 3.4Å; C32-V35 PolarHBondContact O-N 3.33Å; V33-V35 VanDerWaalsContact C-N 3.32Å; V33-V35 PolarHBondContact O-N 2.96Å
36V89.9Confident90.6Very high38 Ų3861.9 Ų61.923%0.2334%0.336CS..Hα-helixtrans-67.3-41.8-178.8176.50000111K6 C32 P45K6-V36 HydrophobicContact CD-CG2 3.49Å; K6-V36 VanDerWaalsContact CD-CG2 3.49Å; K6-V36 VanDerWaalsContact CE-CG2 3.48Å; C32-V36 WeakPolarHBondContact O-CB 3.22Å; C32-V36 VanDerWaalsContact O-CG2 3.23Å; C32-V36 WeakPolarHBondContact O-CG2 3.25Å; C32-V36 PolarHBondContact O-N 3.45Å; V36-P45 HydrophobicContact CG1-CG 4.17Å; V36-P45 HydrophobicContact CG2-CG 4.09Å
37F93.4Very high90.4Very high0 Ų061.1 Ų61.10%034%0.338CS..THydrogen-bonded Turntrans-104.930.1-173.7-54.3-88.3000111.9L28 V33 R39 Q40 G42 L51 K53 F56L28-F37 HydrophobicContact CD1-CE2 3.87Å; V33-F37 HydrophobicContact CB-CD2 4.5Å; V33-F37 HydrophobicContact CG1-CD2 4.03Å; V33-F37 WeakPolarHBondContact O-CB 3.44Å; V33-F37 WeakPolarHBondContact O-CD2 3.23Å; V33-F37 PolarHBondContact O-N 3.47Å; F37-R39 PolarHBondContact O-N 2.88Å; F37-R39 VanDerWaalsContact O-N 3.16Å; F37-Q40 WeakPolarHBondContact O-CA 3.19Å; F37-Q40 PolarHBondContact O-N 3.48Å; F37-G42 VanDerWaalsContact CE1-O 3.29Å; F37-G42 WeakPolarHBondContact CE1-O 3.27Å; F37-L51 HydrophobicContact CE1-CB 3.83Å; F37-L51 HydrophobicContact CZ-CB 4.34Å; F37-L51 HydrophobicContact CZ-CD1 4.36Å; F37-K53 HydrophobicContact CB-CB 3.81Å; F37-K53 HydrophobicContact CB-CG 4.15Å; F37-F56 HydrophobicContact CD1-CE2 4.27Å; F37-F56 AromaticContact CD2-CE2 3.79Å; F37-F56 HydrophobicContact CD2-CE2 3.79Å; F37-F56 HydrophobicContact CD2-CZ 4.03Å; F37-F56 HydrophobicContact CE1-CE2 4.05Å; F37-F56 HydrophobicContact CE1-CZ 4.22Å; F37-F56 HydrophobicContact CE2-CE1 4.34Å; F37-F56 AromaticContact CE2-CE2 3.57Å; F37-F56 HydrophobicContact CE2-CE2 3.57Å; F37-F56 AromaticContact CE2-CZ 3.35Å; F37-F56 HydrophobicContact CE2-CZ 3.35Å; F37-F56 HydrophobicContact CG-CE2 4.16Å; F37-F56 AromaticContact CZ-CE2 3.72Å; F37-F56 HydrophobicContact CZ-CE2 3.72Å; F37-F56 AromaticContact CZ-CZ 3.47Å; F37-F56 HydrophobicContact CZ-CZ 3.47Å; F37-F56 VanDerWaalsContact CZ-CZ 3.47Å
38A88.2Confident90.2Very high67 Ų6764 Ų6455%0.55436%0.359SS*.THydrogen-bonded Turntrans-55.9-32179.700000112.9E34 Q40E34-A38 WeakPolarHBondContact O-CA 3.2Å; E34-A38 PolarHBondContact O-N 3.07Å; A38-Q40 PolarHBondContact O-N 2.92Å
39R89.5Confident90Very high231 Ų23167.8 Ų67.887%0.87237%0.373SS*.THydrogen-bonded Turntrans-84.721.2174.8-64.8-174.9178.2173.5-0.7114.1F37 S41F37-R39 PolarHBondContact O-N 2.88Å; F37-R39 VanDerWaalsContact O-N 3.16Å; R39-S41 PolarHBondContact O-N 3.2Å
40Q88Confident90Very high121 Ų12172.5 Ų72.557%0.56540%0.401SS*.SBendtrans67.7-26.7-176-55.3-65.9-1100116.1F37 A38 R52 K53F37-Q40 WeakPolarHBondContact O-CA 3.19Å; F37-Q40 PolarHBondContact O-N 3.48Å; A38-Q40 PolarHBondContact O-N 2.92Å; Q40-R52 CarbonylContact O-C 3.52Å; Q40-R52 VanDerWaalsContact O-CA 3.32Å; Q40-R52 WeakPolarHBondContact O-CA 3.28Å; Q40-K53 PolarHBondContact O-N 3.44Å
41S91.2Very high89.9Confident62 Ų6266.9 Ų66.943%0.43438%0.38SS..EExtended strand (participates in β ladder)trans-137.2154.8170.459.10000111.4R39 L51R39-S41 PolarHBondContact O-N 3.2Å; S41-L51 WeakPolarHBondContact CA-O 3.13Å
42G89.8Confident89.9Confident10 Ų1069.5 Ų69.510%0.10338%0.381CS..EExtended strand (participates in β ladder)trans-175.5167.2-179.600000112F37 V50 L51F37-G42 VanDerWaalsContact CE1-O 3.29Å; F37-G42 WeakPolarHBondContact CE1-O 3.27Å; G42-V50 CarbonylContact O-C 3.56Å; G42-V50 WeakPolarHBondContact O-CA 3.49Å; G42-L51 PolarHBondContact N-O 3.36Å; G42-L51 PolarHBondContact O-N 2.79Å
43P92.4Very high89.9Confident77 Ų7772.1 Ų72.150%0.539%0.392SS..EExtended strand (participates in β ladder)trans-73.8138.2174.729.7-32.8000111R49P43-R49 CarbonylContact C-O 3.55Å
44C89.6Confident89.8Confident3 Ų378 Ų782%0.0242%0.423CS..  trans-58.1130.5169.3-179.30000109.7A46 S48 R49 L51C44-A46 PolarHBondContact O-N 3.44Å; C44-A46 VanDerWaalsContact O-N 3.11Å; C44-S48 WeakPolarHBondContact O-CA 3.37Å; C44-S48 PolarHBondContact O-N 3.09Å; C44-R49 WeakPolarHBondContact CB-O 3.4Å; C44-R49 PolarHBondContact N-O 3.09Å; C44-L51 HydrophobicContact CB-CD1 3.76Å; C44-L51 HydrophobicContact CB-CG 4.39Å
45P86.8Confident89.7Confident69 Ų6975.5 Ų75.545%0.44842%0.415SS..THydrogen-bonded Turntrans-61.2-21.5179.7-24.434.1000115L28 V36L28-P45 HydrophobicContact CD1-CG 4.18Å; L28-P45 HydrophobicContact CD2-CG 4.37Å; V36-P45 HydrophobicContact CG1-CG 4.17Å; V36-P45 HydrophobicContact CG2-CG 4.09Å
46A84.9Confident89.7Confident63 Ų6371.5 Ų71.552%0.52139%0.389SS..THydrogen-bonded Turntrans-95.6-55.8-17700000112.3H26 C44H26-A46 HydrophobicContact CB-CB 4.12Å; H26-A46 WeakPolarHBondContact CD2-CB 3.48Å; C44-A46 PolarHBondContact O-N 3.44Å; C44-A46 VanDerWaalsContact O-N 3.11Å
47C87Confident89.9Confident54 Ų5472.3 Ų72.337%0.36539%0.388SS..THydrogen-bonded Turntrans-104.41.3-176.164.80000114.7R49C47-R49 PolarHBondContact O-N 2.97Å; C47-R49 VanDerWaalsContact SG-CB 3.58Å
48S87.2Confident89.8Confident87 Ų8775.4 Ų75.461%0.60841%0.407SS*.  trans60.11.8-177.2-56.10000116.3C44 V50C44-S48 WeakPolarHBondContact O-CA 3.37Å; C44-S48 PolarHBondContact O-N 3.09Å; S48-V50 PolarHBondContact O-N 3.29Å
49R87.4Confident89.9Confident84 Ų8472.7 Ų72.732%0.31738%0.383SS..  trans-57.8132174.6-156.7174-161157.97109.7P43 C44 C47 L51 D110P43-R49 CarbonylContact C-O 3.55Å; C44-R49 WeakPolarHBondContact CB-O 3.4Å; C44-R49 PolarHBondContact N-O 3.09Å; C47-R49 PolarHBondContact O-N 2.97Å; C47-R49 VanDerWaalsContact SG-CB 3.58Å; R49-L51 PolarHBondContact O-N 3.05Å; R49-D110 IonicContact CZ-OD1 3.82Å; R49-D110 IonicContact NH1-OD1 3.27Å; R49-D110 PolarHBondContact NH1-OD1 3.35Å; R49-D110 IonicContact NH1-OD2 2.73Å; R49-D110 IonicContact NH2-OD1 2.81Å
50V91.2Very high89.7Confident105 Ų10568.6 Ų68.664%0.63637%0.373SS*.EExtended strand (participates in β ladder)trans-76.1114.3-179-179.30000109.2G42 S48G42-V50 CarbonylContact O-C 3.56Å; G42-V50 WeakPolarHBondContact O-CA 3.49Å; S48-V50 PolarHBondContact O-N 3.29Å
51L92Very high89.6Confident2 Ų267.3 Ų67.31%0.0137%0.366CS..EExtended strand (participates in β ladder)trans-115.2158.4-177-57171.6000110.9N22 E23 C24 F37 S41 G42 C44 R49 F56N22-L51 HydrophobicContact CB-CD1 4.01Å; E23-L51 HydrophobicContact CG-CD2 4.08Å; C24-L51 HydrophobicContact CB-CD1 4.49Å; C24-L51 HydrophobicContact CB-CD2 4.47Å; F37-L51 HydrophobicContact CE1-CB 3.83Å; F37-L51 HydrophobicContact CZ-CB 4.34Å; F37-L51 HydrophobicContact CZ-CD1 4.36Å; S41-L51 WeakPolarHBondContact CA-O 3.13Å; G42-L51 PolarHBondContact N-O 3.36Å; G42-L51 PolarHBondContact O-N 2.79Å; C44-L51 HydrophobicContact CB-CD1 3.76Å; C44-L51 HydrophobicContact CB-CG 4.39Å; R49-L51 PolarHBondContact O-N 3.05Å; L51-F56 HydrophobicContact CB-CE2 4.21Å; L51-F56 HydrophobicContact CB-CZ 4.44Å; L51-F56 HydrophobicContact CD1-CE2 4.38Å; L51-F56 HydrophobicContact CD1-CZ 3.81Å
52R92Very high89.3Confident167 Ų16770.1 Ų70.163%0.6338%0.377SS*.EExtended strand (participates in β ladder)trans-102.4144.9173.5-63.3-176.9-177.4-175.91.1110.7Q40 N54 T55 F56Q40-R52 CarbonylContact O-C 3.52Å; Q40-R52 VanDerWaalsContact O-CA 3.32Å; Q40-R52 WeakPolarHBondContact O-CA 3.28Å; R52-N54 VanDerWaalsContact C-N 3.27Å; R52-N54 WeakPolarHBondContact CB-OD1 3.38Å; R52-N54 PolarHBondContact O-N 2.98Å; R52-T55 HydrophobicContact CB-CG2 4.16Å; R52-T55 PolarHBondContact O-N 3.06Å; R52-T55 PolarHBondContact O-OG1 3.06Å; R52-F56 WeakPolarHBondContact O-CD2 3.27Å
53K91.3Very high89Confident64 Ų6473.4 Ų73.428%0.27839%0.392SS..G310 helixtrans-59.1-38.5-179.2-173.5177.1176.2175.30112.2V33 F37 Q40 T55V33-K53 HydrophobicContact CG1-CG 4.38Å; F37-K53 HydrophobicContact CB-CB 3.81Å; F37-K53 HydrophobicContact CB-CG 4.15Å; Q40-K53 PolarHBondContact O-N 3.44Å; K53-T55 VanDerWaalsContact C-N 3.3Å; K53-T55 PolarHBondContact O-N 3.24Å
54N90Very high88.7Confident128 Ų12871.3 Ų71.368%0.68438%0.378SS*.G310 helixtrans-79.4-5.8-176.766.6-19.2000114.5R52R52-N54 VanDerWaalsContact C-N 3.27Å; R52-N54 WeakPolarHBondContact CB-OD1 3.38Å; R52-N54 PolarHBondContact O-N 2.98Å
55T89.9Confident88.6Confident51 Ų5175.4 Ų75.431%0.31340%0.399SS..G310 helixtrans-95.10.2176.565.10000113.1N22 R52 K53 W57N22-T55 PolarHBondContact ND2-OG1 3.18Å; N22-T55 PolarHBondContact OD1-O 3.4Å; N22-T55 PolarHBondContact OD1-OG1 3.46Å; R52-T55 HydrophobicContact CB-CG2 4.16Å; R52-T55 PolarHBondContact O-N 3.06Å; R52-T55 PolarHBondContact O-OG1 3.06Å; K53-T55 VanDerWaalsContact C-N 3.3Å; K53-T55 PolarHBondContact O-N 3.24Å; T55-W57 WeakPolarHBondContact O-CZ3 3.49Å
56F93.1Very high88.7Confident18 Ų1874.4 Ų74.48%0.07939%0.392CS..  trans-78.5137.9171.6-75.5-94.3000111.1M20 V21 N22 L28 V33 F37 L51 R52M20-F56 HydrophobicContact CB-CB 4.37Å; M20-F56 HydrophobicContact CB-CD1 4.26Å; M20-F56 HydrophobicContact CE-CB 3.82Å; V21-F56 CarbonylContact O-C 3.51Å; V21-F56 VanDerWaalsContact O-CA 3.29Å; V21-F56 WeakPolarHBondContact O-CA 3.36Å; N22-F56 HydrophobicContact CB-CD1 3.79Å; N22-F56 HydrophobicContact CB-CD2 4.45Å; N22-F56 HydrophobicContact CB-CE1 3.68Å; N22-F56 HydrophobicContact CB-CE2 4.36Å; N22-F56 HydrophobicContact CB-CG 4.17Å; N22-F56 HydrophobicContact CB-CZ 3.97Å; N22-F56 WeakPolarHBondContact ND2-CD2 3.49Å; N22-F56 WeakPolarHBondContact ND2-CE2 3.4Å; L28-F56 HydrophobicContact CD1-CE1 4.38Å; V33-F56 HydrophobicContact CG1-CB 4.31Å; V33-F56 HydrophobicContact CG1-CD1 4.35Å; V33-F56 HydrophobicContact CG1-CD2 3.8Å; V33-F56 HydrophobicContact CG1-CE2 4.2Å; V33-F56 HydrophobicContact CG1-CG 3.9Å; V33-F56 HydrophobicContact CG2-CD1 3.9Å; V33-F56 HydrophobicContact CG2-CE1 4.07Å; V33-F56 HydrophobicContact CG2-CG 4.26Å; F37-F56 HydrophobicContact CD1-CE2 4.27Å; F37-F56 AromaticContact CD2-CE2 3.79Å; F37-F56 HydrophobicContact CD2-CE2 3.79Å; F37-F56 HydrophobicContact CD2-CZ 4.03Å; F37-F56 HydrophobicContact CE1-CE2 4.05Å; F37-F56 HydrophobicContact CE1-CZ 4.22Å; F37-F56 HydrophobicContact CE2-CE1 4.34Å; F37-F56 AromaticContact CE2-CE2 3.57Å; F37-F56 HydrophobicContact CE2-CE2 3.57Å; F37-F56 AromaticContact CE2-CZ 3.35Å; F37-F56 HydrophobicContact CE2-CZ 3.35Å; F37-F56 HydrophobicContact CG-CE2 4.16Å; F37-F56 AromaticContact CZ-CE2 3.72Å; F37-F56 HydrophobicContact CZ-CE2 3.72Å; F37-F56 AromaticContact CZ-CZ 3.47Å; F37-F56 HydrophobicContact CZ-CZ 3.47Å; F37-F56 VanDerWaalsContact CZ-CZ 3.47Å; L51-F56 HydrophobicContact CB-CE2 4.21Å; L51-F56 HydrophobicContact CB-CZ 4.44Å; L51-F56 HydrophobicContact CD1-CE2 4.38Å; L51-F56 HydrophobicContact CD1-CZ 3.81Å; R52-F56 WeakPolarHBondContact O-CD2 3.27Å
57W92.6Very high88.9Confident55 Ų5571.8 Ų71.821%0.20837%0.369CS..EExtended strand (participates in β ladder)trans-122.6164.2172.663.494.8000111.3M20 V21 N22 T55 E67 Y71M20-W57 CarbonylContact C-O 3.59Å; M20-W57 WeakPolarHBondContact CA-O 3.5Å; V21-W57 HydrophobicContact CG1-CZ2 4.2Å; V21-W57 PolarHBondContact N-O 2.98Å; V21-W57 PolarHBondContact O-N 2.95Å; N22-W57 VanDerWaalsContact CA-CZ3 3.46Å; T55-W57 WeakPolarHBondContact O-CZ3 3.49Å; W57-E67 PolarHBondContact NE1-OE2 3.34Å; W57-Y71 HydrophobicContact CE3-CD2 4.23Å; W57-Y71 HydrophobicContact CH2-CD1 4.08Å; W57-Y71 AromaticContact CH2-CD2 3.81Å; W57-Y71 HydrophobicContact CH2-CD2 3.81Å; W57-Y71 HydrophobicContact CH2-CE2 4.44Å; W57-Y71 AromaticContact CH2-CG 3.61Å; W57-Y71 HydrophobicContact CH2-CG 3.61Å; W57-Y71 HydrophobicContact CZ2-CD2 4.37Å; W57-Y71 HydrophobicContact CZ2-CG 4.09Å; W57-Y71 AromaticContact CZ3-CD2 3.73Å; W57-Y71 HydrophobicContact CZ3-CD2 3.73Å; W57-Y71 HydrophobicContact CZ3-CE2 4.02Å; W57-Y71 HydrophobicContact CZ3-CG 4.02Å
58V92.4Very high89Confident66 Ų6669.4 Ų69.440%0.435%0.352SS..EExtended strand (participates in β ladder)trans-74.4130.9178.8176.10000109.9V18 M20 Q60V18-V58 HydrophobicContact CG1-CB 4.35Å; V18-V58 HydrophobicContact CG1-CG1 3.68Å; V18-V58 HydrophobicContact CG1-CG2 3.94Å; M20-V58 HydrophobicContact SD-CG2 3.76Å; V58-Q60 PolarHBondContact O-N 2.92Å
59M88.8Confident89.3Confident9 Ų968.1 Ų68.14%0.04434%0.337CS..  trans-74.8114.6177.7-157.7-178.986.600110.5R2 L19 V21 P27 F61 P64 E67R2-M59 HydrophobicContact CG-CE 4.43Å; R2-M59 PolarHBondContact NH1-O 3.43Å; L19-M59 HydrophobicContact CB-CB 4.19Å; L19-M59 HydrophobicContact CB-CE 4.24Å; L19-M59 HydrophobicContact CB-SD 4.26Å; L19-M59 HydrophobicContact CD1-CE 3.75Å; L19-M59 HydrophobicContact CD1-SD 4.32Å; L19-M59 WeakPolarHBondContact O-CB 3.41Å; L19-M59 PolarHBondContact O-N 3.09Å; V21-M59 HydrophobicContact CG2-CB 3.97Å; V21-M59 HydrophobicContact CG2-CG 3.65Å; V21-M59 HydrophobicContact CG2-SD 3.59Å; V21-M59 VanDerWaalsContact CG2-SD 3.59Å; P27-M59 HydrophobicContact CB-SD 4.04Å; M59-F61 WeakPolarHBondContact CE-O 3.36Å; M59-F61 WeakPolarHBondContact CG-O 3.32Å; M59-P64 HydrophobicContact SD-CG 4.41Å; M59-E67 HydrophobicContact CG-CG 3.93Å
60Q86.5Confident89.5Confident145 Ų14566 Ų6668%0.67833%0.333SS*.  trans-91.8-48.5176.4-59.9-172.3-3.200111.1R2 V58 E67R2-Q60 PolarHBondContact NH2-O 3.01Å; V58-Q60 PolarHBondContact O-N 2.92Å; Q60-E67 WeakPolarHBondContact CA-OE1 3.37Å; Q60-E67 WeakPolarHBondContact CB-OE1 3.33Å; Q60-E67 PolarHBondContact N-OE1 3.44Å
61F85.7Confident89.5Confident94 Ų9463.9 Ų63.941%0.41231%0.314SS..SBendtrans-81.8150.9178.7-58-74.3000111.4M59 D63 V66 E67 V70M59-F61 WeakPolarHBondContact CE-O 3.36Å; M59-F61 WeakPolarHBondContact CG-O 3.32Å; F61-D63 VanDerWaalsContact C-N 3.29Å; F61-V66 HydrophobicContact CB-CB 4.36Å; F61-V66 HydrophobicContact CB-CG1 4.26Å; F61-V66 HydrophobicContact CD1-CG1 4.32Å; F61-V66 HydrophobicContact CD2-CG1 3.88Å; F61-V66 HydrophobicContact CE2-CG1 4.32Å; F61-V66 HydrophobicContact CG-CG1 3.88Å; F61-E67 HydrophobicContact CB-CG 4.34Å; F61-E67 HydrophobicContact CD2-CG 4.37Å; F61-E67 WeakPolarHBondContact CD2-OE1 3.33Å; F61-E67 PolarHBondContact N-OE1 2.91Å; F61-V70 HydrophobicContact CE2-CG2 4.2Å
62D83.9Confident89.5Confident122 Ų12264.8 Ų64.865%0.65232%0.318SS*.SBendtrans-73.3-25.2178-74.4-30.6000112.6R2 P64R2-D62 IonicContact CZ-OD1 3.66Å; R2-D62 IonicContact NE-OD1 2.77Å; R2-D62 PolarHBondContact NE-OD1 3.45Å; R2-D62 IonicContact NH2-OD1 3.01Å; R2-D62 PolarHBondContact NH2-OD1 3.46Å; D62-P64 WeakPolarHBondContact O-CD 3.42Å
63D84.9Confident89.6Confident79 Ų7959.5 Ų59.542%0.42230%0.298SS..  trans-93.3116176.8-170.6-14.7000110.9F61 L65 V66 E67F61-D63 VanDerWaalsContact C-N 3.29Å; D63-L65 PolarHBondContact O-N 3.05Å; D63-L65 WeakPolarHBondContact OD1-CB 3.2Å; D63-L65 PolarHBondContact OD1-N 3.13Å; D63-V66 HydrophobicContact CB-CB 4.37Å; D63-V66 HydrophobicContact CB-CG2 3.87Å; D63-V66 PolarHBondContact O-N 2.97Å; D63-E67 PolarHBondContact O-N 2.8Å
64P85.2Confident89.6Confident33 Ų3363.2 Ų63.221%0.21431%0.314CS..Hα-helixtrans-62.6-24176.5-20.332.4000114.4G25 P27 M59 D62 E67 V68G25-P64 WeakPolarHBondContact O-CB 3.38Å; P27-P64 HydrophobicContact CG-CG 4.28Å; M59-P64 HydrophobicContact SD-CG 4.41Å; D62-P64 WeakPolarHBondContact O-CD 3.42Å; P64-E67 WeakPolarHBondContact O-CB 3.03Å; P64-E67 PolarHBondContact O-N 3.45Å; P64-V68 WeakPolarHBondContact O-CG2 3.26Å; P64-V68 PolarHBondContact O-N 3.32Å; P64-V68 VanDerWaalsContact O-N 3.15Å
65L86.9Confident89.6Confident88 Ų8862 Ų6246%0.46130%0.303SS..Hα-helixtrans-68.5-40.7176.9-73.1172.2000111.3D63 E67 V68 E69 V108D63-L65 PolarHBondContact O-N 3.05Å; D63-L65 WeakPolarHBondContact OD1-CB 3.2Å; D63-L65 PolarHBondContact OD1-N 3.13Å; L65-E67 VanDerWaalsContact C-N 3.26Å; L65-E67 PolarHBondContact O-N 3.24Å; L65-V68 PolarHBondContact O-N 2.94Å; L65-V68 VanDerWaalsContact O-N 3.15Å; L65-E69 PolarHBondContact O-N 2.87Å; L65-V108 HydrophobicContact CD2-CG1 4.34Å
66V88.8Confident89.7Confident48 Ų4860.1 Ų60.129%0.29129%0.291SS..Hα-helixtrans-61.4-37.7175.61790000110.6F61 D63 E69 V70F61-V66 HydrophobicContact CB-CB 4.36Å; F61-V66 HydrophobicContact CB-CG1 4.26Å; F61-V66 HydrophobicContact CD1-CG1 4.32Å; F61-V66 HydrophobicContact CD2-CG1 3.88Å; F61-V66 HydrophobicContact CE2-CG1 4.32Å; F61-V66 HydrophobicContact CG-CG1 3.88Å; D63-V66 HydrophobicContact CB-CB 4.37Å; D63-V66 HydrophobicContact CB-CG2 3.87Å; D63-V66 PolarHBondContact O-N 2.97Å; V66-E69 PolarHBondContact O-N 3.05Å; V66-V70 HydrophobicContact CG1-CG2 4.38Å; V66-V70 WeakPolarHBondContact O-CB 3.48Å; V66-V70 WeakPolarHBondContact O-CG2 3.48Å; V66-V70 PolarHBondContact O-N 2.83Å
67E89.9Confident89.6Confident8 Ų865.1 Ų65.14%0.03731%0.313CS..Hα-helixtrans-62.4-44.2174.1-74-71.8167.400112.9V21 W57 M59 Q60 F61 D63 P64 L65 Y71V21-E67 HydrophobicContact CG1-CB 4.5Å; W57-E67 PolarHBondContact NE1-OE2 3.34Å; M59-E67 HydrophobicContact CG-CG 3.93Å; Q60-E67 WeakPolarHBondContact CA-OE1 3.37Å; Q60-E67 WeakPolarHBondContact CB-OE1 3.33Å; Q60-E67 PolarHBondContact N-OE1 3.44Å; F61-E67 HydrophobicContact CB-CG 4.34Å; F61-E67 HydrophobicContact CD2-CG 4.37Å; F61-E67 WeakPolarHBondContact CD2-OE1 3.33Å; F61-E67 PolarHBondContact N-OE1 2.91Å; D63-E67 PolarHBondContact O-N 2.8Å; P64-E67 WeakPolarHBondContact O-CB 3.03Å; P64-E67 PolarHBondContact O-N 3.45Å; L65-E67 VanDerWaalsContact C-N 3.26Å; L65-E67 PolarHBondContact O-N 3.24Å; E67-Y71 WeakPolarHBondContact O-CB 3.17Å; E67-Y71 PolarHBondContact O-N 2.57Å
68V90.3Very high89.4Confident4 Ų469.6 Ų69.62%0.02433%0.334CS..Hα-helixtrans-65.9-42.2178.3174.40000110.6G25 P64 L65 Y71 F72 V108G25-V68 VanDerWaalsContact CA-CG2 3.4Å; P64-V68 WeakPolarHBondContact O-CG2 3.26Å; P64-V68 PolarHBondContact O-N 3.32Å; P64-V68 VanDerWaalsContact O-N 3.15Å; L65-V68 PolarHBondContact O-N 2.94Å; L65-V68 VanDerWaalsContact O-N 3.15Å; V68-Y71 WeakPolarHBondContact O-CB 3.24Å; V68-Y71 PolarHBondContact O-N 2.73Å; V68-F72 HydrophobicContact CG1-CD2 3.55Å; V68-F72 HydrophobicContact CG1-CE2 3.36Å; V68-F72 VanDerWaalsContact O-CD2 3.27Å; V68-F72 WeakPolarHBondContact O-CD2 3.39Å; V68-F72 PolarHBondContact O-N 3.2Å; V68-V108 HydrophobicContact CG1-CG2 4.37Å
69E93Very high89.1Confident61 Ų6168.1 Ų68.129%0.28533%0.325SS..Hα-helixtrans-60.3-50.9175.4-167.4-137.7141.900111.5L65 V66 Y71 F72 R73 I104 V108L65-E69 PolarHBondContact O-N 2.87Å; V66-E69 PolarHBondContact O-N 3.05Å; E69-Y71 VanDerWaalsContact C-N 3.26Å; E69-Y71 PolarHBondContact O-N 2.97Å; E69-F72 PolarHBondContact O-N 2.98Å; E69-R73 WeakPolarHBondContact O-CB 3.37Å; E69-R73 PolarHBondContact O-N 2.88Å; E69-R73 IonicContact OE1-CZ 3.71Å; E69-R73 IonicContact OE1-NE 2.9Å; E69-R73 PolarHBondContact OE1-NE 3.09Å; E69-R73 IonicContact OE1-NH2 2.68Å; E69-R73 PolarHBondContact OE1-NH2 3.38Å; E69-I104 HydrophobicContact CG-CG2 3.9Å; E69-V108 VanDerWaalsContact CA-CG2 3.46Å; E69-V108 HydrophobicContact CB-CG2 3.78Å; E69-V108 HydrophobicContact CG-CG2 4.01Å
70V90.8Very high89.2Confident39 Ų3968.2 Ų68.224%0.23633%0.325CS..Hα-helixtrans-59.9-38.6178.1170.70000111.2F61 V66 K74F61-V70 HydrophobicContact CE2-CG2 4.2Å; V66-V70 HydrophobicContact CG1-CG2 4.38Å; V66-V70 WeakPolarHBondContact O-CB 3.48Å; V66-V70 WeakPolarHBondContact O-CG2 3.48Å; V66-V70 PolarHBondContact O-N 2.83Å; V70-K74 HydrophobicContact CG1-CD 4.02Å; V70-K74 HydrophobicContact CG1-CG 4.5Å; V70-K74 VanDerWaalsContact O-CB 3.32Å; V70-K74 WeakPolarHBondContact O-CB 3.39Å; V70-K74 VanDerWaalsContact O-CG 3.31Å; V70-K74 WeakPolarHBondContact O-CG 3.49Å; V70-K74 PolarHBondContact O-N 2.79Å
71Y91.5Very high89.4Confident61 Ų6162 Ų6224%0.23930%0.296CS..Hα-helixtrans-62.2-54175.4170-97.4000111.9E23 W57 E67 V68 E69 R73 K74 K75E23-Y71 HydrophobicContact CB-CE1 4.22Å; W57-Y71 HydrophobicContact CE3-CD2 4.23Å; W57-Y71 HydrophobicContact CH2-CD1 4.08Å; W57-Y71 AromaticContact CH2-CD2 3.81Å; W57-Y71 HydrophobicContact CH2-CD2 3.81Å; W57-Y71 HydrophobicContact CH2-CE2 4.44Å; W57-Y71 AromaticContact CH2-CG 3.61Å; W57-Y71 HydrophobicContact CH2-CG 3.61Å; W57-Y71 HydrophobicContact CZ2-CD2 4.37Å; W57-Y71 HydrophobicContact CZ2-CG 4.09Å; W57-Y71 AromaticContact CZ3-CD2 3.73Å; W57-Y71 HydrophobicContact CZ3-CD2 3.73Å; W57-Y71 HydrophobicContact CZ3-CE2 4.02Å; W57-Y71 HydrophobicContact CZ3-CG 4.02Å; E67-Y71 WeakPolarHBondContact O-CB 3.17Å; E67-Y71 PolarHBondContact O-N 2.57Å; V68-Y71 WeakPolarHBondContact O-CB 3.24Å; V68-Y71 PolarHBondContact O-N 2.73Å; E69-Y71 VanDerWaalsContact C-N 3.26Å; E69-Y71 PolarHBondContact O-N 2.97Å; Y71-R73 PolarHBondContact O-N 2.96Å; Y71-K74 PolarHBondContact O-N 3.4Å; Y71-K75 HydrophobicContact CE1-CD 4.07Å; Y71-K75 WeakPolarHBondContact O-CB 3.16Å; Y71-K75 PolarHBondContact O-N 3.44Å; Y71-K75 PolarHBondContact OH-NZ 3.5Å
72F92.5Very high89.6Confident21 Ų2157.9 Ų57.99%0.09228%0.278CS..Hα-helixtrans-63.6-41.8-179.6-76.9-58.8000111.5E23 V68 E69 K74 K75 L76 I104 L107 V108E23-F72 HydrophobicContact CB-CZ 4.45Å; V68-F72 HydrophobicContact CG1-CD2 3.55Å; V68-F72 HydrophobicContact CG1-CE2 3.36Å; V68-F72 VanDerWaalsContact O-CD2 3.27Å; V68-F72 WeakPolarHBondContact O-CD2 3.39Å; V68-F72 PolarHBondContact O-N 3.2Å; E69-F72 PolarHBondContact O-N 2.98Å; F72-K74 PolarHBondContact O-N 3.35Å; F72-K75 PolarHBondContact O-N 3.19Å; F72-L76 WeakPolarHBondContact O-CB 3.38Å; F72-L76 PolarHBondContact O-N 3.17Å; F72-I104 HydrophobicContact CB-CD1 3.97Å; F72-L107 HydrophobicContact CD1-CB 4.19Å; F72-L107 HydrophobicContact CD1-CD1 3.84Å; F72-L107 HydrophobicContact CD2-CB 3.93Å; F72-L107 HydrophobicContact CE1-CB 4.27Å; F72-L107 HydrophobicContact CE1-CD1 4.2Å; F72-L107 HydrophobicContact CE2-CB 3.99Å; F72-L107 WeakPolarHBondContact CE2-O 3.26Å; F72-L107 HydrophobicContact CG-CB 4.05Å; F72-L107 HydrophobicContact CG-CD1 4.25Å; F72-L107 HydrophobicContact CZ-CB 4.18Å; F72-V108 HydrophobicContact CD2-CG2 4.14Å
73R94.1Very high89.6Confident55 Ų5555.3 Ų55.321%0.20826%0.26CS..Hα-helixtrans-60.4-47.3177-171.3179.7-68.9-77.9-1.3111.6E69 Y71 K75 K77 F100 E101 I104E69-R73 WeakPolarHBondContact O-CB 3.37Å; E69-R73 PolarHBondContact O-N 2.88Å; E69-R73 IonicContact OE1-CZ 3.71Å; E69-R73 IonicContact OE1-NE 2.9Å; E69-R73 PolarHBondContact OE1-NE 3.09Å; E69-R73 IonicContact OE1-NH2 2.68Å; E69-R73 PolarHBondContact OE1-NH2 3.38Å; Y71-R73 PolarHBondContact O-N 2.96Å; R73-K75 VanDerWaalsContact C-N 3.33Å; R73-K75 PolarHBondContact O-N 3.46Å; R73-K77 HydrophobicContact CG-CD 4.35Å; R73-K77 VanDerWaalsContact O-CB 3.24Å; R73-K77 WeakPolarHBondContact O-CB 3.25Å; R73-K77 VanDerWaalsContact O-CG 3.26Å; R73-K77 WeakPolarHBondContact O-CG 3.45Å; R73-K77 PolarHBondContact O-N 3.29Å; R73-F100 HydrophobicContact CG-CE1 4.35Å; R73-F100 HydrophobicContact CG-CZ 4.1Å; R73-E101 IonicContact CZ-OE1 3.92Å; R73-E101 IonicContact CZ-OE2 3.79Å; R73-E101 VanDerWaalsContact NH1-CD 3.32Å; R73-E101 IonicContact NH1-OE1 3.53Å; R73-E101 PolarHBondContact NH1-OE1 3.03Å; R73-E101 IonicContact NH1-OE2 2.89Å; R73-E101 PolarHBondContact NH1-OE2 3.29Å; R73-E101 VanDerWaalsContact NH1-OE2 3.13Å; R73-E101 IonicContact NH2-OE1 2.88Å; R73-E101 IonicContact NH2-OE2 3.71Å; R73-E101 PolarHBondContact NH2-OE2 3.24Å; R73-I104 VanDerWaalsContact CA-CD1 3.46Å; R73-I104 HydrophobicContact CB-CD1 4.03Å
74K91Very high89.7Confident142 Ų14256.7 Ų56.762%0.61726%0.263SS*.Hα-helixtrans-63.7-37.2176.1-79.2177.1179.4172.40112.8V70 Y71 F72V70-K74 HydrophobicContact CG1-CD 4.02Å; V70-K74 HydrophobicContact CG1-CG 4.5Å; V70-K74 VanDerWaalsContact O-CB 3.32Å; V70-K74 WeakPolarHBondContact O-CB 3.39Å; V70-K74 VanDerWaalsContact O-CG 3.31Å; V70-K74 WeakPolarHBondContact O-CG 3.49Å; V70-K74 PolarHBondContact O-N 2.79Å; Y71-K74 PolarHBondContact O-N 3.4Å; F72-K74 PolarHBondContact O-N 3.35Å
75K90.2Very high89.7Confident104 Ų10460.5 Ų60.545%0.45228%0.279SS..Hα-helixtrans-69.7-49.2179.4-173.5177.6-177.6177.80110.9Y71 F72 R73 K78Y71-K75 HydrophobicContact CE1-CD 4.07Å; Y71-K75 WeakPolarHBondContact O-CB 3.16Å; Y71-K75 PolarHBondContact O-N 3.44Å; Y71-K75 PolarHBondContact OH-NZ 3.5Å; F72-K75 PolarHBondContact O-N 3.19Å; R73-K75 VanDerWaalsContact C-N 3.33Å; R73-K75 PolarHBondContact O-N 3.46Å; K75-K78 PolarHBondContact O-N 2.91Å
76L92Very high89.6Confident11 Ų1158.4 Ų58.46%0.05827%0.268CS..Hα-helixtrans-76.3-29.3-176.5-71.8172.1000113F72 K78 T79 F80 F100 I103 I104 L107 I120F72-L76 WeakPolarHBondContact O-CB 3.38Å; F72-L76 PolarHBondContact O-N 3.17Å; L76-K78 PolarHBondContact O-N 3.18Å; L76-T79 CarbonylContact O-C 3.57Å; L76-T79 WeakPolarHBondContact O-CA 3.48Å; L76-T79 WeakPolarHBondContact O-CB 3.45Å; L76-T79 PolarHBondContact O-N 3.17Å; L76-F80 HydrophobicContact CB-CD2 4.18Å; L76-F80 HydrophobicContact CD2-CD2 4.17Å; L76-F80 HydrophobicContact CD2-CE2 4.04Å; L76-F80 PolarHBondContact O-N 3.26Å; L76-F100 HydrophobicContact CB-CE2 3.77Å; L76-I103 HydrophobicContact CD1-CG2 3.65Å; L76-I104 HydrophobicContact CB-CD1 4.33Å; L76-I104 HydrophobicContact CD1-CD1 3.61Å; L76-I104 HydrophobicContact CD1-CG1 4.42Å; L76-I104 HydrophobicContact CG-CD1 4.5Å; L76-L107 HydrophobicContact CD1-CD1 3.6Å; L76-I120 HydrophobicContact CD2-CD1 3.94Å; L76-I120 HydrophobicContact CD2-CG1 4.28Å; L76-I120 HydrophobicContact CD2-CG2 4.18Å
77K90.3Very high89.8Confident123 Ų12358 Ų5854%0.53526%0.262SS..THydrogen-bonded Turntrans-57.6-20.3171.9-86.5-174.1175.2-171.20114.3R73 T79 N81 F100R73-K77 HydrophobicContact CG-CD 4.35Å; R73-K77 VanDerWaalsContact O-CB 3.24Å; R73-K77 WeakPolarHBondContact O-CB 3.25Å; R73-K77 VanDerWaalsContact O-CG 3.26Å; R73-K77 WeakPolarHBondContact O-CG 3.45Å; R73-K77 PolarHBondContact O-N 3.29Å; K77-T79 VanDerWaalsContact C-N 3.26Å; K77-N81 WeakPolarHBondContact O-CB 3.37Å; K77-F100 HydrophobicContact CG-CE2 4.48Å; K77-F100 HydrophobicContact CG-CZ 3.88Å
78K87.7Confident89.7Confident149 Ų14963.4 Ų63.465%0.64830%0.298SS*.THydrogen-bonded Turntrans-76.4-18.3173.6-62.6-178.7-179.1-177.30113K75 L76K75-K78 PolarHBondContact O-N 2.91Å; L76-K78 PolarHBondContact O-N 3.18Å
79T86.8Confident89.6Confident34 Ų3467.5 Ų67.521%0.20932%0.32CS..THydrogen-bonded Turntrans-109-46.4-173.9-41.10000110.2L76 K77 N81 V124 I131L76-T79 CarbonylContact O-C 3.57Å; L76-T79 WeakPolarHBondContact O-CA 3.48Å; L76-T79 WeakPolarHBondContact O-CB 3.45Å; L76-T79 PolarHBondContact O-N 3.17Å; K77-T79 VanDerWaalsContact C-N 3.26Å; T79-N81 VanDerWaalsContact C-N 3.3Å; T79-N81 PolarHBondContact O-N 2.69Å; T79-N81 PolarHBondContact O-OD1 3.37Å; T79-V124 HydrophobicContact CG2-CG2 3.16Å; T79-I131 HydrophobicContact CG2-CD1 4.28Å; T79-I131 VanDerWaalsContact O-CD1 3.23Å; T79-I131 WeakPolarHBondContact O-CD1 3.28Å; T79-I131 VanDerWaalsContact O-CG1 3.23Å; T79-I131 WeakPolarHBondContact O-CG1 3.24Å
80F91.7Very high89.4Confident11 Ų1169.1 Ų69.15%0.04833%0.33CS..SBendtrans-87.668.5169.8-70.7-99.4000108.9L76 Y96 F100 I103 I120 F123L76-F80 HydrophobicContact CB-CD2 4.18Å; L76-F80 HydrophobicContact CD2-CD2 4.17Å; L76-F80 HydrophobicContact CD2-CE2 4.04Å; L76-F80 PolarHBondContact O-N 3.26Å; F80-Y96 WeakPolarHBondContact CA-OH 3.19Å; F80-Y96 HydrophobicContact CB-CE2 4.44Å; F80-Y96 WeakPolarHBondContact CB-OH 3.4Å; F80-Y96 HydrophobicContact CD1-CD2 4.49Å; F80-Y96 AromaticContact CD1-CE2 3.63Å; F80-Y96 HydrophobicContact CD1-CE2 3.63Å; F80-Y96 HydrophobicContact CE1-CE2 4.41Å; F80-Y96 HydrophobicContact CG-CE2 4.5Å; F80-Y96 PolarHBondContact O-OH 3.24Å; F80-Y96 VanDerWaalsContact O-OH 3.08Å; F80-F100 HydrophobicContact CB-CD2 3.51Å; F80-F100 HydrophobicContact CB-CE2 3.87Å; F80-F100 HydrophobicContact CB-CG 4.45Å; F80-F100 HydrophobicContact CD1-CB 4.34Å; F80-F100 HydrophobicContact CD1-CD2 4.01Å; F80-F100 HydrophobicContact CD2-CD2 4.17Å; F80-F100 AromaticContact CG-CD2 3.63Å; F80-F100 HydrophobicContact CG-CD2 3.63Å; F80-F100 HydrophobicContact CG-CE2 4.25Å; F80-I103 HydrophobicContact CE1-CD1 3.74Å; F80-I103 HydrophobicContact CE2-CD1 4.25Å; F80-I103 HydrophobicContact CZ-CD1 3.39Å; F80-I120 HydrophobicContact CE2-CG1 4.18Å; F80-I120 HydrophobicContact CE2-CG2 4.37Å; F80-I120 HydrophobicContact CZ-CG1 4.38Å; F80-F123 HydrophobicContact CD1-CD1 4.23Å; F80-F123 AromaticContact CD1-CE1 3.83Å; F80-F123 HydrophobicContact CD1-CE1 3.83Å; F80-F123 HydrophobicContact CD1-CE2 4.36Å; F80-F123 AromaticContact CD1-CZ 3.9Å; F80-F123 HydrophobicContact CD1-CZ 3.9Å; F80-F123 HydrophobicContact CD2-CD1 4.48Å; F80-F123 HydrophobicContact CD2-CE1 4.37Å; F80-F123 AromaticContact CE1-CD1 3.8Å; F80-F123 HydrophobicContact CE1-CD1 3.8Å; F80-F123 HydrophobicContact CE1-CD2 4.08Å; F80-F123 AromaticContact CE1-CE1 3.87Å; F80-F123 HydrophobicContact CE1-CE1 3.87Å; F80-F123 HydrophobicContact CE1-CE2 4.13Å; F80-F123 AromaticContact CE1-CG 3.91Å; F80-F123 HydrophobicContact CE1-CG 3.91Å; F80-F123 HydrophobicContact CE1-CZ 4.03Å; F80-F123 HydrophobicContact CE2-CD1 4.08Å; F80-F123 HydrophobicContact CE2-CE1 4.41Å; F80-F123 HydrophobicContact CG-CE1 4.06Å; F80-F123 HydrophobicContact CG-CZ 4.48Å; F80-F123 HydrophobicContact CZ-CB 4.32Å; F80-F123 AromaticContact CZ-CD1 3.71Å; F80-F123 HydrophobicContact CZ-CD1 3.71Å; F80-F123 HydrophobicContact CZ-CE1 4.15Å; F80-F123 AromaticContact CZ-CG 3.92Å; F80-F123 HydrophobicContact CZ-CG 3.92Å
81N90Very high89.3Confident15 Ų1576.2 Ų76.28%0.0835%0.352CS..  trans-117.721-179.870-22000113.4K77 T79 Y96 I131 N134K77-N81 WeakPolarHBondContact O-CB 3.37Å; T79-N81 VanDerWaalsContact C-N 3.3Å; T79-N81 PolarHBondContact O-N 2.69Å; T79-N81 PolarHBondContact O-OD1 3.37Å; N81-Y96 PolarHBondContact N-OH 2.63Å; N81-I131 PolarHBondContact ND2-O 3.5Å; N81-I131 VanDerWaalsContact OD1-CA 3.3Å; N81-I131 WeakPolarHBondContact OD1-CA 3.41Å; N81-N134 WeakPolarHBondContact ND2-CB 3.46Å; N81-N134 WeakPolarHBondContact O-CB 3.27Å; N81-N134 PolarHBondContact O-ND2 3.35Å
82L89.6Confident89.4Confident7 Ų774.6 Ų74.64%0.03735%0.352CS..  trans-63.7145.7169.9-67.2161.6000109.9D86 F87 Y96 F123 H127 Q130L82-D86 HydrophobicContact CD2-CB 4.04Å; L82-F87 HydrophobicContact CB-CE2 3.66Å; L82-F87 HydrophobicContact CB-CZ 3.92Å; L82-F87 HydrophobicContact CD1-CE2 4.44Å; L82-F87 HydrophobicContact CD1-CZ 3.89Å; L82-Y96 HydrophobicContact CB-CE1 4.21Å; L82-Y96 HydrophobicContact CB-CE2 4.35Å; L82-Y96 HydrophobicContact CD1-CD2 4.36Å; L82-Y96 HydrophobicContact CD1-CE2 3.88Å; L82-Y96 PolarHBondContact N-OH 2.87Å; L82-F123 HydrophobicContact CD1-CE2 3.78Å; L82-F123 HydrophobicContact CD1-CZ 3.43Å; L82-F123 VanDerWaalsContact CD1-CZ 3.43Å; L82-F123 HydrophobicContact CG-CZ 4.32Å; L82-H127 HydrophobicContact CD1-CB 4.46Å; L82-H127 VanDerWaalsContact CD1-CD2 3.48Å; L82-H127 WeakPolarHBondContact CD1-CD2 3.44Å; L82-Q130 HydrophobicContact CD2-CB 3.55Å; L82-Q130 HydrophobicContact CD2-CG 4.13Å
83R84.4Confident89.4Confident68 Ų6876 Ų7626%0.25736%0.357SS..  trans-107.4160.4-178.1-55.5-57.5-168.6179.16.5109.8E85 D86 F87 R137 E142R83-E85 HydrophobicContact CB-CG 3.82Å; R83-E85 PolarHBondContact O-N 3.14Å; R83-E85 VanDerWaalsContact O-N 3.09Å; R83-D86 PolarHBondContact N-OD2 2.85Å; R83-D86 VanDerWaalsContact O-CB 3.3Å; R83-D86 WeakPolarHBondContact O-CB 3.36Å; R83-D86 PolarHBondContact O-N 3.2Å; R83-F87 WeakPolarHBondContact O-CD2 3.38Å; R83-R137 PolarHBondContact NH2-O 2.91Å; R83-E142 IonicContact NH2-OE2 2.77Å
84E87.3Confident89.3Confident108 Ų10876.7 Ų76.751%0.50536%0.364SS..G310 helixtrans-51.5-35.8177.8-172.3-175.6163.500113D86 F87 L90 Y93E84-D86 PolarHBondContact O-N 2.84Å; E84-F87 PolarHBondContact O-N 3.25Å; E84-F87 VanDerWaalsContact O-N 3.16Å; E84-L90 HydrophobicContact CG-CD1 4.34Å; E84-L90 WeakPolarHBondContact OE1-CD1 3.31Å; E84-Y93 HydrophobicContact CB-CD1 3.87Å; E84-Y93 HydrophobicContact CB-CD2 4.27Å; E84-Y93 HydrophobicContact CB-CE1 3.96Å; E84-Y93 HydrophobicContact CB-CE2 4.36Å; E84-Y93 HydrophobicContact CB-CG 4.02Å; E84-Y93 HydrophobicContact CG-CD1 3.84Å; E84-Y93 HydrophobicContact CG-CE1 4.32Å; E84-Y93 HydrophobicContact CG-CG 4.09Å
85E84.2Confident89.3Confident114 Ų11473.9 Ų73.953%0.53336%0.356SS..G310 helixtrans-68.2-15.3176.458.4-177.9164.600115R83 F87 R137R83-E85 HydrophobicContact CB-CG 3.82Å; R83-E85 PolarHBondContact O-N 3.14Å; R83-E85 VanDerWaalsContact O-N 3.09Å; E85-F87 VanDerWaalsContact C-N 3.27Å; E85-R137 IonicContact OE1-CZ 3.58Å; E85-R137 IonicContact OE1-NE 3.33Å; E85-R137 IonicContact OE1-NH1 3.66Å; E85-R137 PolarHBondContact OE1-NH1 3.29Å; E85-R137 IonicContact OE1-NH2 2.86Å; E85-R137 PolarHBondContact OE1-NH2 3.01Å; E85-R137 IonicContact OE2-CZ 2.89Å; E85-R137 IonicContact OE2-NH1 2.85Å; E85-R137 IonicContact OE2-NH2 3.09Å; E85-R137 PolarHBondContact OE2-NH2 3Å
86D86.6Confident89.5Confident43 Ų4369.6 Ų69.623%0.2334%0.337CS..G310 helixtrans-82.3-6.9174.4-62.1-52.1000111.9L82 R83 E84 N134L82-D86 HydrophobicContact CD2-CB 4.04Å; R83-D86 PolarHBondContact N-OD2 2.85Å; R83-D86 VanDerWaalsContact O-CB 3.3Å; R83-D86 WeakPolarHBondContact O-CB 3.36Å; R83-D86 PolarHBondContact O-N 3.2Å; E84-D86 PolarHBondContact O-N 2.84Å; D86-N134 PolarHBondContact OD2-ND2 3.37Å
87F91.2Very high89.6Confident41 Ų4172 Ų7218%0.1835%0.35CS..SBendtrans-110.6150-178.6-64.2-92000111.5L82 R83 E84 E85 D89 A92 Y93 Y96L82-F87 HydrophobicContact CB-CE2 3.66Å; L82-F87 HydrophobicContact CB-CZ 3.92Å; L82-F87 HydrophobicContact CD1-CE2 4.44Å; L82-F87 HydrophobicContact CD1-CZ 3.89Å; R83-F87 WeakPolarHBondContact O-CD2 3.38Å; E84-F87 PolarHBondContact O-N 3.25Å; E84-F87 VanDerWaalsContact O-N 3.16Å; E85-F87 VanDerWaalsContact C-N 3.27Å; F87-D89 VanDerWaalsContact C-N 3.31Å; F87-D89 PolarHBondContact O-N 3.13Å; F87-A92 HydrophobicContact CB-CB 4.26Å; F87-A92 HydrophobicContact CD1-CB 4.04Å; F87-Y93 AromaticContact CD2-CD2 3.58Å; F87-Y93 HydrophobicContact CD2-CD2 3.58Å; F87-Y93 HydrophobicContact CD2-CG 4.21Å; F87-Y93 AromaticContact CE2-CD2 3.62Å; F87-Y93 HydrophobicContact CE2-CD2 3.62Å; F87-Y93 HydrophobicContact CE2-CE2 4.36Å; F87-Y93 HydrophobicContact CG-CD2 4.43Å; F87-Y93 HydrophobicContact CZ-CD2 4.5Å; F87-Y96 HydrophobicContact CE1-CD2 4.43Å; F87-Y96 AromaticContact CE1-CG 3.99Å; F87-Y96 HydrophobicContact CE1-CG 3.99Å; F87-Y96 AromaticContact CE2-CD1 3.97Å; F87-Y96 HydrophobicContact CE2-CD1 3.97Å; F87-Y96 HydrophobicContact CE2-CE1 4.41Å; F87-Y96 HydrophobicContact CE2-CG 4.16Å; F87-Y96 AromaticContact CZ-CD1 3.67Å; F87-Y96 HydrophobicContact CZ-CD1 3.67Å; F87-Y96 AromaticContact CZ-CD2 3.8Å; F87-Y96 HydrophobicContact CZ-CD2 3.8Å; F87-Y96 HydrophobicContact CZ-CE1 4.28Å; F87-Y96 HydrophobicContact CZ-CE2 4.39Å; F87-Y96 AromaticContact CZ-CG 3.38Å; F87-Y96 HydrophobicContact CZ-CG 3.38Å
88P88.9Confident89.7Confident121 Ų12172.2 Ų72.279%0.78635%0.353SS*.SBendtrans-68.6-29.4-177.627.1-35000113.3A92P88-A92 HydrophobicContact CG-CB 4.15Å
89D88.1Confident89.9Confident90 Ų9069.6 Ų69.648%0.48134%0.343SS..SBendtrans-150.8168.4178.362.140.2000111.3F87 R91 A92 Y93F87-D89 VanDerWaalsContact C-N 3.31Å; F87-D89 PolarHBondContact O-N 3.13Å; D89-R91 PolarHBondContact O-N 3.3Å; D89-R91 WeakPolarHBondContact OD1-CA 3.4Å; D89-R91 WeakPolarHBondContact OD1-CB 3.49Å; D89-R91 PolarHBondContact OD1-N 3.32Å; D89-A92 PolarHBondContact O-N 3.41Å; D89-A92 PolarHBondContact OD1-N 2.67Å; D89-Y93 PolarHBondContact O-N 3.35Å
90L87.9Confident90.3Very high95 Ų9568.5 Ų68.550%0.49734%0.335SS..Hα-helixtrans-62.8-26.9179.8-177.463.1000112.5E84 Y93 N94E84-L90 HydrophobicContact CG-CD1 4.34Å; E84-L90 WeakPolarHBondContact OE1-CD1 3.31Å; L90-Y93 HydrophobicContact CD1-CD1 4.32Å; L90-N94 VanDerWaalsContact O-CG 3.23Å; L90-N94 PolarHBondContact O-N 2.76Å; L90-N94 PolarHBondContact O-ND2 3.03Å
91R90.4Very high90.4Very high187 Ų18771.9 Ų71.971%0.70635%0.351SS*.Hα-helixtrans-71-48.8-178.7-175.4175.9-176.3175.42.9110.5D89 Y93 N94 D95D89-R91 PolarHBondContact O-N 3.3Å; D89-R91 WeakPolarHBondContact OD1-CA 3.4Å; D89-R91 WeakPolarHBondContact OD1-CB 3.49Å; D89-R91 PolarHBondContact OD1-N 3.32Å; R91-Y93 PolarHBondContact O-N 3.32Å; R91-N94 PolarHBondContact O-N 2.71Å; R91-D95 VanDerWaalsContact O-CG 3.23Å; R91-D95 PolarHBondContact O-N 3.29Å
92A92.6Very high90.6Very high28 Ų2875.9 Ų75.923%0.23137%0.373CS..Hα-helixtrans-59.2-35.5176.200000112F87 P88 D89 Y96F87-A92 HydrophobicContact CB-CB 4.26Å; F87-A92 HydrophobicContact CD1-CB 4.04Å; P88-A92 HydrophobicContact CG-CB 4.15Å; D89-A92 PolarHBondContact O-N 3.41Å; D89-A92 PolarHBondContact OD1-N 2.67Å; A92-Y96 WeakPolarHBondContact O-CB 3.28Å; A92-Y96 PolarHBondContact O-N 3.01Å; A92-Y96 VanDerWaalsContact O-N 3.11Å
93Y92.4Very high90.8Very high50 Ų5076 Ų7620%0.19637%0.373CS..Hα-helixtrans-66.9-43.7172.9178.4-118.2000112.6E84 F87 D89 L90 R91 Y96 L97E84-Y93 HydrophobicContact CB-CD1 3.87Å; E84-Y93 HydrophobicContact CB-CD2 4.27Å; E84-Y93 HydrophobicContact CB-CE1 3.96Å; E84-Y93 HydrophobicContact CB-CE2 4.36Å; E84-Y93 HydrophobicContact CB-CG 4.02Å; E84-Y93 HydrophobicContact CG-CD1 3.84Å; E84-Y93 HydrophobicContact CG-CE1 4.32Å; E84-Y93 HydrophobicContact CG-CG 4.09Å; F87-Y93 AromaticContact CD2-CD2 3.58Å; F87-Y93 HydrophobicContact CD2-CD2 3.58Å; F87-Y93 HydrophobicContact CD2-CG 4.21Å; F87-Y93 AromaticContact CE2-CD2 3.62Å; F87-Y93 HydrophobicContact CE2-CD2 3.62Å; F87-Y93 HydrophobicContact CE2-CE2 4.36Å; F87-Y93 HydrophobicContact CG-CD2 4.43Å; F87-Y93 HydrophobicContact CZ-CD2 4.5Å; D89-Y93 PolarHBondContact O-N 3.35Å; L90-Y93 HydrophobicContact CD1-CD1 4.32Å; R91-Y93 PolarHBondContact O-N 3.32Å; Y93-Y96 HydrophobicContact CD2-CD1 4.04Å; Y93-Y96 HydrophobicContact CE2-CD1 4.12Å; Y93-Y96 HydrophobicContact CE2-CE1 4.3Å; Y93-Y96 WeakPolarHBondContact O-CB 3.44Å; Y93-Y96 PolarHBondContact O-N 3.28Å; Y93-L97 HydrophobicContact CD1-CD1 4.18Å; Y93-L97 HydrophobicContact CE1-CD1 3.69Å; Y93-L97 HydrophobicContact CE1-CG 4.27Å; Y93-L97 HydrophobicContact CE2-CD2 4.2Å; Y93-L97 HydrophobicContact CE2-CG 4.31Å; Y93-L97 WeakPolarHBondContact O-CG 3.33Å; Y93-L97 PolarHBondContact O-N 3.38Å
94N91.7Very high91.2Very high69 Ų6973 Ų7337%0.36936%0.362SS..Hα-helixtrans-65-41.1176.7-71.1-21.8000112.1L90 R91 Y96 L97 E98L90-N94 VanDerWaalsContact O-CG 3.23Å; L90-N94 PolarHBondContact O-N 2.76Å; L90-N94 PolarHBondContact O-ND2 3.03Å; R91-N94 PolarHBondContact O-N 2.71Å; N94-Y96 PolarHBondContact O-N 3.33Å; N94-L97 WeakPolarHBondContact O-CA 3.45Å; N94-L97 WeakPolarHBondContact O-CB 3.23Å; N94-L97 PolarHBondContact O-N 3.16Å; N94-E98 PolarHBondContact O-N 3.44Å
95D92.3Very high91.4Very high83 Ų8372.7 Ų72.744%0.44436%0.359SS..Hα-helixtrans-60.5-37.6175.4-63.5-12.8000110.7R91 E98 Q99R91-D95 VanDerWaalsContact O-CG 3.23Å; R91-D95 PolarHBondContact O-N 3.29Å; D95-E98 PolarHBondContact O-N 2.93Å; D95-Q99 WeakPolarHBondContact O-CB 3.47Å; D95-Q99 PolarHBondContact O-N 3.23Å
96Y93.7Very high91.8Very high15 Ų1569 Ų696%0.05934%0.343CS..Hα-helixtrans-64.9-39.1171.9159.6-98.1000113F80 N81 L82 F87 A92 Y93 N94 F100 F123F80-Y96 WeakPolarHBondContact CA-OH 3.19Å; F80-Y96 HydrophobicContact CB-CE2 4.44Å; F80-Y96 WeakPolarHBondContact CB-OH 3.4Å; F80-Y96 HydrophobicContact CD1-CD2 4.49Å; F80-Y96 AromaticContact CD1-CE2 3.63Å; F80-Y96 HydrophobicContact CD1-CE2 3.63Å; F80-Y96 HydrophobicContact CE1-CE2 4.41Å; F80-Y96 HydrophobicContact CG-CE2 4.5Å; F80-Y96 PolarHBondContact O-OH 3.24Å; F80-Y96 VanDerWaalsContact O-OH 3.08Å; N81-Y96 PolarHBondContact N-OH 2.63Å; L82-Y96 HydrophobicContact CB-CE1 4.21Å; L82-Y96 HydrophobicContact CB-CE2 4.35Å; L82-Y96 HydrophobicContact CD1-CD2 4.36Å; L82-Y96 HydrophobicContact CD1-CE2 3.88Å; L82-Y96 PolarHBondContact N-OH 2.87Å; F87-Y96 HydrophobicContact CE1-CD2 4.43Å; F87-Y96 AromaticContact CE1-CG 3.99Å; F87-Y96 HydrophobicContact CE1-CG 3.99Å; F87-Y96 AromaticContact CE2-CD1 3.97Å; F87-Y96 HydrophobicContact CE2-CD1 3.97Å; F87-Y96 HydrophobicContact CE2-CE1 4.41Å; F87-Y96 HydrophobicContact CE2-CG 4.16Å; F87-Y96 AromaticContact CZ-CD1 3.67Å; F87-Y96 HydrophobicContact CZ-CD1 3.67Å; F87-Y96 AromaticContact CZ-CD2 3.8Å; F87-Y96 HydrophobicContact CZ-CD2 3.8Å; F87-Y96 HydrophobicContact CZ-CE1 4.28Å; F87-Y96 HydrophobicContact CZ-CE2 4.39Å; F87-Y96 AromaticContact CZ-CG 3.38Å; F87-Y96 HydrophobicContact CZ-CG 3.38Å; A92-Y96 WeakPolarHBondContact O-CB 3.28Å; A92-Y96 PolarHBondContact O-N 3.01Å; A92-Y96 VanDerWaalsContact O-N 3.11Å; Y93-Y96 HydrophobicContact CD2-CD1 4.04Å; Y93-Y96 HydrophobicContact CE2-CD1 4.12Å; Y93-Y96 HydrophobicContact CE2-CE1 4.3Å; Y93-Y96 WeakPolarHBondContact O-CB 3.44Å; Y93-Y96 PolarHBondContact O-N 3.28Å; N94-Y96 PolarHBondContact O-N 3.33Å; Y96-F100 WeakPolarHBondContact O-CB 3.42Å; Y96-F100 PolarHBondContact O-N 3.31Å; Y96-F123 HydrophobicContact CD2-CE2 4.19Å; Y96-F123 HydrophobicContact CD2-CZ 4.4Å; Y96-F123 AromaticContact CE2-CE2 3.84Å; Y96-F123 HydrophobicContact CE2-CE2 3.84Å; Y96-F123 AromaticContact CE2-CZ 3.61Å; Y96-F123 HydrophobicContact CE2-CZ 3.61Å
97L93.7Very high92Very high62 Ų6267.7 Ų67.733%0.32534%0.336SS..Hα-helixtrans-66.3-40.6174.8-66.6179000111.6Y93 N94 F100 E101Y93-L97 HydrophobicContact CD1-CD1 4.18Å; Y93-L97 HydrophobicContact CE1-CD1 3.69Å; Y93-L97 HydrophobicContact CE1-CG 4.27Å; Y93-L97 HydrophobicContact CE2-CD2 4.2Å; Y93-L97 HydrophobicContact CE2-CG 4.31Å; Y93-L97 WeakPolarHBondContact O-CG 3.33Å; Y93-L97 PolarHBondContact O-N 3.38Å; N94-L97 WeakPolarHBondContact O-CA 3.45Å; N94-L97 WeakPolarHBondContact O-CB 3.23Å; N94-L97 PolarHBondContact O-N 3.16Å; L97-F100 WeakPolarHBondContact O-CB 3.19Å; L97-F100 PolarHBondContact O-N 3.32Å; L97-E101 WeakPolarHBondContact O-CG 3.46Å; L97-E101 PolarHBondContact O-N 3.04Å
98E92.5Very high91.9Very high126 Ų12666.5 Ų66.559%0.58933%0.332SS*.Hα-helixtrans-62.4-47.5174.6-72.3-176.6-17900111.1N94 D95 F100 E101 D102N94-E98 PolarHBondContact O-N 3.44Å; D95-E98 PolarHBondContact O-N 2.93Å; E98-F100 PolarHBondContact O-N 2.97Å; E98-E101 PolarHBondContact O-N 3.43Å; E98-D102 PolarHBondContact O-N 2.79Å
99Q92.1Very high91.8Very high95 Ų9565 Ų6544%0.44432%0.315SS..Hα-helixtrans-56.5-39.2174.3-178.4-178.560.400112.1D95 D102 I103D95-Q99 WeakPolarHBondContact O-CB 3.47Å; D95-Q99 PolarHBondContact O-N 3.23Å; Q99-D102 PolarHBondContact O-N 2.86Å; Q99-I103 HydrophobicContact CG-CD1 4.1Å; Q99-I103 VanDerWaalsContact O-CG1 3.24Å; Q99-I103 WeakPolarHBondContact O-CG1 3.4Å; Q99-I103 PolarHBondContact O-N 3.02Å
100F94.6Very high91.7Very high11 Ų1165.2 Ų65.25%0.04832%0.316CS..Hα-helixtrans-62.9-43.2175.3172-101.5000111.9R73 L76 K77 F80 Y96 L97 E98 I103 I104R73-F100 HydrophobicContact CG-CE1 4.35Å; R73-F100 HydrophobicContact CG-CZ 4.1Å; L76-F100 HydrophobicContact CB-CE2 3.77Å; K77-F100 HydrophobicContact CG-CE2 4.48Å; K77-F100 HydrophobicContact CG-CZ 3.88Å; F80-F100 HydrophobicContact CB-CD2 3.51Å; F80-F100 HydrophobicContact CB-CE2 3.87Å; F80-F100 HydrophobicContact CB-CG 4.45Å; F80-F100 HydrophobicContact CD1-CB 4.34Å; F80-F100 HydrophobicContact CD1-CD2 4.01Å; F80-F100 HydrophobicContact CD2-CD2 4.17Å; F80-F100 AromaticContact CG-CD2 3.63Å; F80-F100 HydrophobicContact CG-CD2 3.63Å; F80-F100 HydrophobicContact CG-CE2 4.25Å; Y96-F100 WeakPolarHBondContact O-CB 3.42Å; Y96-F100 PolarHBondContact O-N 3.31Å; L97-F100 WeakPolarHBondContact O-CB 3.19Å; L97-F100 PolarHBondContact O-N 3.32Å; E98-F100 PolarHBondContact O-N 2.97Å; F100-I103 PolarHBondContact O-N 3.19Å; F100-I104 HydrophobicContact CE1-CG1 4.13Å; F100-I104 HydrophobicContact CE2-CD1 4.29Å; F100-I104 HydrophobicContact CE2-CG1 4.17Å; F100-I104 HydrophobicContact CZ-CD1 4.11Å; F100-I104 HydrophobicContact CZ-CG1 3.93Å; F100-I104 VanDerWaalsContact O-CG1 3.25Å; F100-I104 WeakPolarHBondContact O-CG1 3.41Å; F100-I104 PolarHBondContact O-N 3.14Å; F100-I104 VanDerWaalsContact O-N 3.07Å
101E94.8Very high91.5Very high81 Ų8165 Ų6538%0.37931%0.312SS..Hα-helixtrans-66-39.8176.3-64.5-54.414800112.2R73 L97 E98 I103 I104 F105R73-E101 IonicContact CZ-OE1 3.92Å; R73-E101 IonicContact CZ-OE2 3.79Å; R73-E101 VanDerWaalsContact NH1-CD 3.32Å; R73-E101 IonicContact NH1-OE1 3.53Å; R73-E101 PolarHBondContact NH1-OE1 3.03Å; R73-E101 IonicContact NH1-OE2 2.89Å; R73-E101 PolarHBondContact NH1-OE2 3.29Å; R73-E101 VanDerWaalsContact NH1-OE2 3.13Å; R73-E101 IonicContact NH2-OE1 2.88Å; R73-E101 IonicContact NH2-OE2 3.71Å; R73-E101 PolarHBondContact NH2-OE2 3.24Å; L97-E101 WeakPolarHBondContact O-CG 3.46Å; L97-E101 PolarHBondContact O-N 3.04Å; E98-E101 PolarHBondContact O-N 3.43Å; E101-I103 PolarHBondContact O-N 2.91Å; E101-I104 PolarHBondContact O-N 2.79Å; E101-F105 WeakPolarHBondContact O-CB 3.33Å; E101-F105 PolarHBondContact O-N 3.45Å
102D93.7Very high91.4Very high99 Ų9961.2 Ų61.253%0.52931%0.306SS..Hα-helixtrans-60.8-44.1175.7-71.2-20.8000111.6E98 Q99 I104 F105 N106E98-D102 PolarHBondContact O-N 2.79Å; Q99-D102 PolarHBondContact O-N 2.86Å; D102-I104 VanDerWaalsContact C-N 3.33Å; D102-I104 PolarHBondContact O-N 3.39Å; D102-F105 PolarHBondContact O-N 2.91Å; D102-N106 WeakPolarHBondContact O-CB 3.29Å; D102-N106 VanDerWaalsContact O-CG 3.27Å; D102-N106 PolarHBondContact O-N 3.12Å
103I93.1Very high91Very high11 Ų1161 Ų616%0.05630%0.301CS..Hα-helixtrans-61.4-43175.9-71.8170.2000110.9L76 F80 Q99 F100 E101 L107 T116 I120L76-I103 HydrophobicContact CD1-CG2 3.65Å; F80-I103 HydrophobicContact CE1-CD1 3.74Å; F80-I103 HydrophobicContact CE2-CD1 4.25Å; F80-I103 HydrophobicContact CZ-CD1 3.39Å; Q99-I103 HydrophobicContact CG-CD1 4.1Å; Q99-I103 VanDerWaalsContact O-CG1 3.24Å; Q99-I103 WeakPolarHBondContact O-CG1 3.4Å; Q99-I103 PolarHBondContact O-N 3.02Å; F100-I103 PolarHBondContact O-N 3.19Å; E101-I103 PolarHBondContact O-N 2.91Å; I103-L107 HydrophobicContact CG2-CD1 4.19Å; I103-L107 VanDerWaalsContact O-CG 3.3Å; I103-L107 WeakPolarHBondContact O-CG 3.22Å; I103-L107 PolarHBondContact O-N 3.34Å; I103-L107 VanDerWaalsContact O-N 3.13Å; I103-T116 HydrophobicContact CB-CG2 4.22Å; I103-T116 HydrophobicContact CG1-CG2 4.2Å; I103-T116 HydrophobicContact CG2-CG2 3.77Å; I103-I120 HydrophobicContact CD1-CG1 4.37Å; I103-I120 HydrophobicContact CG2-CD1 3.76Å; I103-I120 HydrophobicContact CG2-CG1 3.91Å
104I92.7Very high90.8Very high4 Ų464.5 Ų64.52%0.02132%0.32CS..Hα-helixtrans-62.9-47177-68.2-71.4000110.1E69 F72 R73 L76 F100 E101 D102 N106 L107 V108E69-I104 HydrophobicContact CG-CG2 3.9Å; F72-I104 HydrophobicContact CB-CD1 3.97Å; R73-I104 VanDerWaalsContact CA-CD1 3.46Å; R73-I104 HydrophobicContact CB-CD1 4.03Å; L76-I104 HydrophobicContact CB-CD1 4.33Å; L76-I104 HydrophobicContact CD1-CD1 3.61Å; L76-I104 HydrophobicContact CD1-CG1 4.42Å; L76-I104 HydrophobicContact CG-CD1 4.5Å; F100-I104 HydrophobicContact CE1-CG1 4.13Å; F100-I104 HydrophobicContact CE2-CD1 4.29Å; F100-I104 HydrophobicContact CE2-CG1 4.17Å; F100-I104 HydrophobicContact CZ-CD1 4.11Å; F100-I104 HydrophobicContact CZ-CG1 3.93Å; F100-I104 VanDerWaalsContact O-CG1 3.25Å; F100-I104 WeakPolarHBondContact O-CG1 3.41Å; F100-I104 PolarHBondContact O-N 3.14Å; F100-I104 VanDerWaalsContact O-N 3.07Å; E101-I104 PolarHBondContact O-N 2.79Å; D102-I104 VanDerWaalsContact C-N 3.33Å; D102-I104 PolarHBondContact O-N 3.39Å; I104-N106 PolarHBondContact O-N 3.04Å; I104-L107 PolarHBondContact O-N 3.29Å; I104-V108 HydrophobicContact CG2-CG2 4.22Å; I104-V108 WeakPolarHBondContact O-CB 3.31Å; I104-V108 VanDerWaalsContact O-CG2 3.24Å; I104-V108 WeakPolarHBondContact O-CG2 3.49Å; I104-V108 PolarHBondContact O-N 3.47Å
105F92.3Very high90.7Very high102 Ų10268 Ų6845%0.44733%0.334SS..Hα-helixtrans-58.6-48.5-179.7-174.6-92.9000111.6E101 D102 L107 V108 H109 Q111E101-F105 WeakPolarHBondContact O-CB 3.33Å; E101-F105 PolarHBondContact O-N 3.45Å; D102-F105 PolarHBondContact O-N 2.91Å; F105-L107 VanDerWaalsContact C-N 3.34Å; F105-L107 PolarHBondContact O-N 3.19Å; F105-V108 PolarHBondContact O-N 3.38Å; F105-H109 AromaticContact CD2-CE1 3.49Å; F105-H109 VanDerWaalsContact CD2-CE1 3.49Å; F105-H109 WeakPolarHBondContact CD2-CE1 3.44Å; F105-H109 AromaticContact CD2-ND1 3.54Å; F105-H109 AromaticContact CE1-ND1 3.97Å; F105-H109 AromaticContact CE2-CE1 3.25Å; F105-H109 WeakPolarHBondContact CE2-CE1 3.5Å; F105-H109 AromaticContact CE2-ND1 3.5Å; F105-H109 WeakPolarHBondContact CE2-ND1 3.23Å; F105-H109 AromaticContact CE2-NE2 3.98Å; F105-H109 AromaticContact CG-ND1 3.8Å; F105-H109 AromaticContact CZ-CE1 3.8Å; F105-H109 AromaticContact CZ-ND1 3.71Å; F105-H109 PolarHBondContact O-N 2.83Å; F105-H109 PolarHBondContact O-ND1 3.02Å; F105-Q111 VanDerWaalsContact CE1-OE1 3.27Å
106N92.1Very high90.6Very high35 Ų3564.3 Ų64.319%0.18731%0.314CS..Hα-helixtrans-58.1-44.3177.7-76.9-0.9000112.2D102 I104 D110 Q111 T116D102-N106 WeakPolarHBondContact O-CB 3.29Å; D102-N106 VanDerWaalsContact O-CG 3.27Å; D102-N106 PolarHBondContact O-N 3.12Å; I104-N106 PolarHBondContact O-N 3.04Å; N106-D110 WeakPolarHBondContact O-CA 2.89Å; N106-D110 PolarHBondContact O-N 2.9Å; N106-D110 VanDerWaalsContact O-N 3.08Å; N106-Q111 WeakPolarHBondContact CB-O 3.21Å; N106-Q111 PolarHBondContact O-N 2.88Å; N106-T116 HydrophobicContact CB-CG2 4.2Å; N106-T116 WeakPolarHBondContact CB-OG1 3.45Å; N106-T116 PolarHBondContact ND2-OG1 3.15Å
107L90.6Very high90.5Very high17 Ų1767.9 Ų67.99%0.08933%0.33CS..Hα-helixtrans-70.3-36.1179.2-69.7176.3000113.4F72 L76 I103 I104 F105 V113 T116 I120F72-L107 HydrophobicContact CD1-CB 4.19Å; F72-L107 HydrophobicContact CD1-CD1 3.84Å; F72-L107 HydrophobicContact CD2-CB 3.93Å; F72-L107 HydrophobicContact CE1-CB 4.27Å; F72-L107 HydrophobicContact CE1-CD1 4.2Å; F72-L107 HydrophobicContact CE2-CB 3.99Å; F72-L107 WeakPolarHBondContact CE2-O 3.26Å; F72-L107 HydrophobicContact CG-CB 4.05Å; F72-L107 HydrophobicContact CG-CD1 4.25Å; F72-L107 HydrophobicContact CZ-CB 4.18Å; L76-L107 HydrophobicContact CD1-CD1 3.6Å; I103-L107 HydrophobicContact CG2-CD1 4.19Å; I103-L107 VanDerWaalsContact O-CG 3.3Å; I103-L107 WeakPolarHBondContact O-CG 3.22Å; I103-L107 PolarHBondContact O-N 3.34Å; I103-L107 VanDerWaalsContact O-N 3.13Å; I104-L107 PolarHBondContact O-N 3.29Å; F105-L107 VanDerWaalsContact C-N 3.34Å; F105-L107 PolarHBondContact O-N 3.19Å; L107-V113 HydrophobicContact CD2-CG1 4.39Å; L107-T116 HydrophobicContact CD2-CG2 4.23Å; L107-T116 HydrophobicContact CG-CG2 4.1Å; L107-I120 HydrophobicContact CD1-CD1 4.13Å
108V89Confident90.4Very high16 Ų1669 Ų6910%0.09734%0.34CS..Hα-helixtrans-70.2-37.1178.7171.80000111.3L65 V68 E69 F72 I104 F105L65-V108 HydrophobicContact CD2-CG1 4.34Å; V68-V108 HydrophobicContact CG1-CG2 4.37Å; E69-V108 VanDerWaalsContact CA-CG2 3.46Å; E69-V108 HydrophobicContact CB-CG2 3.78Å; E69-V108 HydrophobicContact CG-CG2 4.01Å; F72-V108 HydrophobicContact CD2-CG2 4.14Å; I104-V108 HydrophobicContact CG2-CG2 4.22Å; I104-V108 WeakPolarHBondContact O-CB 3.31Å; I104-V108 VanDerWaalsContact O-CG2 3.24Å; I104-V108 WeakPolarHBondContact O-CG2 3.49Å; I104-V108 PolarHBondContact O-N 3.47Å; F105-V108 PolarHBondContact O-N 3.38Å
109H88.4Confident90.3Very high90 Ų9065.1 Ų65.142%0.41733%0.329SS..THydrogen-bonded Turntrans-977.8-176.9-61.589.8000113.9F105 Q111F105-H109 AromaticContact CD2-CE1 3.49Å; F105-H109 VanDerWaalsContact CD2-CE1 3.49Å; F105-H109 WeakPolarHBondContact CD2-CE1 3.44Å; F105-H109 AromaticContact CD2-ND1 3.54Å; F105-H109 AromaticContact CE1-ND1 3.97Å; F105-H109 AromaticContact CE2-CE1 3.25Å; F105-H109 WeakPolarHBondContact CE2-CE1 3.5Å; F105-H109 AromaticContact CE2-ND1 3.5Å; F105-H109 WeakPolarHBondContact CE2-ND1 3.23Å; F105-H109 AromaticContact CE2-NE2 3.98Å; F105-H109 AromaticContact CG-ND1 3.8Å; F105-H109 AromaticContact CZ-CE1 3.8Å; F105-H109 AromaticContact CZ-ND1 3.71Å; F105-H109 PolarHBondContact O-N 2.83Å; F105-H109 PolarHBondContact O-ND1 3.02Å; H109-Q111 HydrophobicContact CB-CG 4.04Å; H109-Q111 PolarHBondContact O-N 2.72Å
110D84.4Confident90.3Very high93 Ų9361.9 Ų61.950%0.49732%0.315SS..THydrogen-bonded Turntrans49.939.3-174.1-81-49.9000112.4R49 N106 V113R49-D110 IonicContact CZ-OD1 3.82Å; R49-D110 IonicContact NH1-OD1 3.27Å; R49-D110 PolarHBondContact NH1-OD1 3.35Å; R49-D110 IonicContact NH1-OD2 2.73Å; R49-D110 IonicContact NH2-OD1 2.81Å; N106-D110 WeakPolarHBondContact O-CA 2.89Å; N106-D110 PolarHBondContact O-N 2.9Å; N106-D110 VanDerWaalsContact O-N 3.08Å; D110-V113 VanDerWaalsContact C-CG2 3.49Å; D110-V113 HydrophobicContact CB-CG2 4.23Å
111Q83.9Confident90.1Very high91 Ų9164.2 Ų64.243%0.42534%0.336SS..  trans-97.6134.2175.8-65.9-178.6-22.200110.5F105 N106 H109 V113F105-Q111 VanDerWaalsContact CE1-OE1 3.27Å; N106-Q111 WeakPolarHBondContact CB-O 3.21Å; N106-Q111 PolarHBondContact O-N 2.88Å; H109-Q111 HydrophobicContact CB-CG 4.04Å; H109-Q111 PolarHBondContact O-N 2.72Å; Q111-V113 PolarHBondContact O-N 3.04Å
112D88.4Confident90Very high107 Ų10763.6 Ų63.657%0.57234%0.338SS*.SBendtrans44.140.4175.8-57.1-37.1000114.5E114 E115 T116D112-E114 VanDerWaalsContact C-N 3.34Å; D112-E114 PolarHBondContact O-N 3.48Å; D112-E115 HydrophobicContact CB-CB 4.42Å; D112-E115 PolarHBondContact O-N 3.11Å; D112-T116 WeakPolarHBondContact O-CB 3.41Å; D112-T116 PolarHBondContact O-N 3.5Å; D112-T116 PolarHBondContact O-OG1 3.08Å
113V85.7Confident89.9Confident23 Ų2359.6 Ų59.614%0.13932%0.316CS..Hα-helixtrans-61.8-39.1-167.2177.10000112.4L107 D110 Q111 K117L107-V113 HydrophobicContact CD2-CG1 4.39Å; D110-V113 VanDerWaalsContact C-CG2 3.49Å; D110-V113 HydrophobicContact CB-CG2 4.23Å; Q111-V113 PolarHBondContact O-N 3.04Å; V113-K117 HydrophobicContact CG1-CD 4.22Å; V113-K117 WeakPolarHBondContact O-CB 3.45Å; V113-K117 WeakPolarHBondContact O-CG 3.49Å; V113-K117 PolarHBondContact O-N 2.97Å
114E86.4Confident89.8Confident124 Ų12461.6 Ų61.658%0.57933%0.328SS*.Hα-helixtrans-73.3-37.8-179.8-67.9-55.1130.200112.4D112 K117 T118D112-E114 VanDerWaalsContact C-N 3.34Å; D112-E114 PolarHBondContact O-N 3.48Å; E114-K117 PolarHBondContact O-N 3.47Å; E114-K117 IonicContact OE1-NZ 2.77Å; E114-K117 PolarHBondContact OE1-NZ 2.88Å; E114-T118 WeakPolarHBondContact O-CB 3.49Å; E114-T118 PolarHBondContact O-N 3.45Å; E114-T118 PolarHBondContact O-OG1 3.33Å
115E90.2Very high89.8Confident142 Ų14269.5 Ų69.566%0.66436%0.363SS*.Hα-helixtrans-65.1-46.4173.1-175.8168.3-170.800110.4D112 K117 T118 A119D112-E115 HydrophobicContact CB-CB 4.42Å; D112-E115 PolarHBondContact O-N 3.11Å; E115-K117 PolarHBondContact O-N 3.44Å; E115-T118 CarbonylContact O-C 3.58Å; E115-T118 WeakPolarHBondContact O-CA 3.31Å; E115-T118 WeakPolarHBondContact O-CB 3.44Å; E115-T118 PolarHBondContact O-N 2.98Å; E115-A119 PolarHBondContact O-N 3.26Å
116T91.3Very high89.7Confident6 Ų671.1 Ų71.14%0.03737%0.372CS..Hα-helixtrans-59.6-43.5176.7-57.80000111.7I103 N106 L107 D112 T118 A119 I120I103-T116 HydrophobicContact CB-CG2 4.22Å; I103-T116 HydrophobicContact CG1-CG2 4.2Å; I103-T116 HydrophobicContact CG2-CG2 3.77Å; N106-T116 HydrophobicContact CB-CG2 4.2Å; N106-T116 WeakPolarHBondContact CB-OG1 3.45Å; N106-T116 PolarHBondContact ND2-OG1 3.15Å; L107-T116 HydrophobicContact CD2-CG2 4.23Å; L107-T116 HydrophobicContact CG-CG2 4.1Å; D112-T116 WeakPolarHBondContact O-CB 3.41Å; D112-T116 PolarHBondContact O-N 3.5Å; D112-T116 PolarHBondContact O-OG1 3.08Å; T116-T118 VanDerWaalsContact C-N 3.32Å; T116-T118 PolarHBondContact O-N 2.84Å; T116-A119 PolarHBondContact O-N 3.26Å; T116-I120 HydrophobicContact CG2-CD1 4.15Å; T116-I120 WeakPolarHBondContact O-CD1 3.41Å; T116-I120 VanDerWaalsContact O-CG1 3.24Å; T116-I120 WeakPolarHBondContact O-CG1 3.36Å; T116-I120 PolarHBondContact O-N 3.24Å
117K90.5Very high89.7Confident90 Ų9071.5 Ų71.539%0.39137%0.372SS..Hα-helixtrans-62.1-39.2173.8-78.1171-174.3167.60112.4V113 E114 E115 I120 A121V113-K117 HydrophobicContact CG1-CD 4.22Å; V113-K117 WeakPolarHBondContact O-CB 3.45Å; V113-K117 WeakPolarHBondContact O-CG 3.49Å; V113-K117 PolarHBondContact O-N 2.97Å; E114-K117 PolarHBondContact O-N 3.47Å; E114-K117 IonicContact OE1-NZ 2.77Å; E114-K117 PolarHBondContact OE1-NZ 2.88Å; E115-K117 PolarHBondContact O-N 3.44Å; K117-I120 PolarHBondContact O-N 3.01Å; K117-A121 WeakPolarHBondContact O-CB 3.32Å; K117-A121 PolarHBondContact O-N 3.29Å
118T91Very high89.6Confident85 Ų8576.3 Ų76.352%0.52139%0.394SS..Hα-helixtrans-66.3-43.8177.1-54.50000110.3E114 E115 T116 I120 A121 T122E114-T118 WeakPolarHBondContact O-CB 3.49Å; E114-T118 PolarHBondContact O-N 3.45Å; E114-T118 PolarHBondContact O-OG1 3.33Å; E115-T118 CarbonylContact O-C 3.58Å; E115-T118 WeakPolarHBondContact O-CA 3.31Å; E115-T118 WeakPolarHBondContact O-CB 3.44Å; E115-T118 PolarHBondContact O-N 2.98Å; T116-T118 VanDerWaalsContact C-N 3.32Å; T116-T118 PolarHBondContact O-N 2.84Å; T118-I120 PolarHBondContact O-N 3.45Å; T118-A121 PolarHBondContact O-N 2.97Å; T118-T122 PolarHBondContact O-N 2.92Å; T118-T122 PolarHBondContact O-OG1 2.88Å
119A91Very high89.5Confident45 Ų4582.9 Ų82.937%0.37242%0.424SS..Hα-helixtrans-59.4-45.8174.900000112E115 T116 A121 T122 F123E115-A119 PolarHBondContact O-N 3.26Å; T116-A119 PolarHBondContact O-N 3.26Å; A119-A121 VanDerWaalsContact C-N 3.33Å; A119-A121 PolarHBondContact O-N 2.95Å; A119-T122 PolarHBondContact O-N 3.37Å; A119-F123 WeakPolarHBondContact O-CB 3.49Å; A119-F123 PolarHBondContact O-N 2.96Å
120I91.5Very high89.4Confident28 Ų2881.2 Ų81.214%0.14442%0.416CS..Hα-helixtrans-59.1-44.4174.4-66160.3000110.9L76 F80 I103 L107 T116 K117 T118 F123 V124L76-I120 HydrophobicContact CD2-CD1 3.94Å; L76-I120 HydrophobicContact CD2-CG1 4.28Å; L76-I120 HydrophobicContact CD2-CG2 4.18Å; F80-I120 HydrophobicContact CE2-CG1 4.18Å; F80-I120 HydrophobicContact CE2-CG2 4.37Å; F80-I120 HydrophobicContact CZ-CG1 4.38Å; I103-I120 HydrophobicContact CD1-CG1 4.37Å; I103-I120 HydrophobicContact CG2-CD1 3.76Å; I103-I120 HydrophobicContact CG2-CG1 3.91Å; L107-I120 HydrophobicContact CD1-CD1 4.13Å; T116-I120 HydrophobicContact CG2-CD1 4.15Å; T116-I120 WeakPolarHBondContact O-CD1 3.41Å; T116-I120 VanDerWaalsContact O-CG1 3.24Å; T116-I120 WeakPolarHBondContact O-CG1 3.36Å; T116-I120 PolarHBondContact O-N 3.24Å; K117-I120 PolarHBondContact O-N 3.01Å; T118-I120 PolarHBondContact O-N 3.45Å; I120-F123 PolarHBondContact O-N 2.93Å; I120-V124 HydrophobicContact CG2-CG2 4.42Å; I120-V124 VanDerWaalsContact O-CG2 3.23Å; I120-V124 WeakPolarHBondContact O-CG2 3.33Å; I120-V124 PolarHBondContact O-N 3.31Å
121A91.6Very high89.5Confident60 Ų6077.3 Ų77.350%0.49640%0.395SS..Hα-helixtrans-65.4-40.9-179.500000112.4K117 T118 A119 K125K117-A121 WeakPolarHBondContact O-CB 3.32Å; K117-A121 PolarHBondContact O-N 3.29Å; T118-A121 PolarHBondContact O-N 2.97Å; A119-A121 VanDerWaalsContact C-N 3.33Å; A119-A121 PolarHBondContact O-N 2.95Å; A121-K125 PolarHBondContact O-N 3.49Å; A121-K125 VanDerWaalsContact O-N 3.15Å
122T91.9Very high89.7Confident67 Ų6778 Ų7841%0.41140%0.398SS..Hα-helixtrans-63.1-48.3174.5-56.70000110.7T118 A119 V124 K125 E126T118-T122 PolarHBondContact O-N 2.92Å; T118-T122 PolarHBondContact O-OG1 2.88Å; A119-T122 PolarHBondContact O-N 3.37Å; T122-V124 PolarHBondContact O-N 3.49Å; T122-K125 WeakPolarHBondContact O-CB 3.1Å; T122-K125 PolarHBondContact O-N 2.94Å; T122-K125 VanDerWaalsContact O-N 3.1Å; T122-E126 HydrophobicContact CG2-CG 4.49Å; T122-E126 WeakPolarHBondContact O-CG 3.44Å; T122-E126 PolarHBondContact O-N 2.82Å
123F92.7Very high89.4Confident16 Ų1680.1 Ų80.17%0.0740%0.398CS..Hα-helixtrans-57.6-45.9177.9177-91.4000112.3F80 L82 Y96 A119 I120 K125 E126 H127 I131F80-F123 HydrophobicContact CD1-CD1 4.23Å; F80-F123 AromaticContact CD1-CE1 3.83Å; F80-F123 HydrophobicContact CD1-CE1 3.83Å; F80-F123 HydrophobicContact CD1-CE2 4.36Å; F80-F123 AromaticContact CD1-CZ 3.9Å; F80-F123 HydrophobicContact CD1-CZ 3.9Å; F80-F123 HydrophobicContact CD2-CD1 4.48Å; F80-F123 HydrophobicContact CD2-CE1 4.37Å; F80-F123 AromaticContact CE1-CD1 3.8Å; F80-F123 HydrophobicContact CE1-CD1 3.8Å; F80-F123 HydrophobicContact CE1-CD2 4.08Å; F80-F123 AromaticContact CE1-CE1 3.87Å; F80-F123 HydrophobicContact CE1-CE1 3.87Å; F80-F123 HydrophobicContact CE1-CE2 4.13Å; F80-F123 AromaticContact CE1-CG 3.91Å; F80-F123 HydrophobicContact CE1-CG 3.91Å; F80-F123 HydrophobicContact CE1-CZ 4.03Å; F80-F123 HydrophobicContact CE2-CD1 4.08Å; F80-F123 HydrophobicContact CE2-CE1 4.41Å; F80-F123 HydrophobicContact CG-CE1 4.06Å; F80-F123 HydrophobicContact CG-CZ 4.48Å; F80-F123 HydrophobicContact CZ-CB 4.32Å; F80-F123 AromaticContact CZ-CD1 3.71Å; F80-F123 HydrophobicContact CZ-CD1 3.71Å; F80-F123 HydrophobicContact CZ-CE1 4.15Å; F80-F123 AromaticContact CZ-CG 3.92Å; F80-F123 HydrophobicContact CZ-CG 3.92Å; L82-F123 HydrophobicContact CD1-CE2 3.78Å; L82-F123 HydrophobicContact CD1-CZ 3.43Å; L82-F123 VanDerWaalsContact CD1-CZ 3.43Å; L82-F123 HydrophobicContact CG-CZ 4.32Å; Y96-F123 HydrophobicContact CD2-CE2 4.19Å; Y96-F123 HydrophobicContact CD2-CZ 4.4Å; Y96-F123 AromaticContact CE2-CE2 3.84Å; Y96-F123 HydrophobicContact CE2-CE2 3.84Å; Y96-F123 AromaticContact CE2-CZ 3.61Å; Y96-F123 HydrophobicContact CE2-CZ 3.61Å; A119-F123 WeakPolarHBondContact O-CB 3.49Å; A119-F123 PolarHBondContact O-N 2.96Å; I120-F123 PolarHBondContact O-N 2.93Å; F123-K125 VanDerWaalsContact C-N 3.29Å; F123-K125 PolarHBondContact O-N 3.28Å; F123-E126 PolarHBondContact O-N 3.24Å; F123-H127 AromaticContact CD2-CE1 3.7Å; F123-H127 AromaticContact CD2-ND1 3.49Å; F123-H127 WeakPolarHBondContact CD2-ND1 3.34Å; F123-H127 HydrophobicContact CE1-CB 4.48Å; F123-H127 AromaticContact CE2-CE1 3.67Å; F123-H127 AromaticContact CE2-CG 3.92Å; F123-H127 AromaticContact CE2-ND1 3.52Å; F123-H127 HydrophobicContact CZ-CB 4.34Å; F123-H127 WeakPolarHBondContact O-CB 3.38Å; F123-H127 PolarHBondContact O-N 3.43Å; F123-H127 PolarHBondContact O-ND1 2.99Å; F123-I131 HydrophobicContact CD1-CD1 4.48Å; F123-I131 HydrophobicContact CE1-CD1 4.09Å
124V90.9Very high89.4Confident52 Ų5279.2 Ų79.232%0.31539%0.393SS..Hα-helixtrans-57.2-43.6176.1168.20000111.7T79 I120 T122 E128T79-V124 HydrophobicContact CG2-CG2 3.16Å; I120-V124 HydrophobicContact CG2-CG2 4.42Å; I120-V124 VanDerWaalsContact O-CG2 3.23Å; I120-V124 WeakPolarHBondContact O-CG2 3.33Å; I120-V124 PolarHBondContact O-N 3.31Å; T122-V124 PolarHBondContact O-N 3.49Å; V124-E128 WeakPolarHBondContact O-CA 3.47Å; V124-E128 WeakPolarHBondContact O-CB 3.26Å; V124-E128 PolarHBondContact O-N 3.4Å
125K91.2Very high89.1Confident171 Ų17179.1 Ų79.174%0.74339%0.39SS*.Hα-helixtrans-68.5-38-178.5-173.7-175.6175.8-170.90111.8A121 T122 F123A121-K125 PolarHBondContact O-N 3.49Å; A121-K125 VanDerWaalsContact O-N 3.15Å; T122-K125 WeakPolarHBondContact O-CB 3.1Å; T122-K125 PolarHBondContact O-N 2.94Å; T122-K125 VanDerWaalsContact O-N 3.1Å; F123-K125 VanDerWaalsContact C-N 3.29Å; F123-K125 PolarHBondContact O-N 3.28Å
126E90.8Very high88.2Confident136 Ų13675.7 Ų75.764%0.63639%0.393SS*.Hα-helixtrans-73.7-35179.9-72175.7171.200112.5T122 F123T122-E126 HydrophobicContact CG2-CG 4.49Å; T122-E126 WeakPolarHBondContact O-CG 3.44Å; T122-E126 PolarHBondContact O-N 2.82Å; F123-E126 PolarHBondContact O-N 3.24Å
127H91.5Very high87.4Confident42 Ų4280.6 Ų80.619%0.19441%0.411CS..SBendtrans-109.414-172.3-58.681.3000113.5L82 F123 E129 Q130 I131L82-H127 HydrophobicContact CD1-CB 4.46Å; L82-H127 VanDerWaalsContact CD1-CD2 3.48Å; L82-H127 WeakPolarHBondContact CD1-CD2 3.44Å; F123-H127 AromaticContact CD2-CE1 3.7Å; F123-H127 AromaticContact CD2-ND1 3.49Å; F123-H127 WeakPolarHBondContact CD2-ND1 3.34Å; F123-H127 HydrophobicContact CE1-CB 4.48Å; F123-H127 AromaticContact CE2-CE1 3.67Å; F123-H127 AromaticContact CE2-CG 3.92Å; F123-H127 AromaticContact CE2-ND1 3.52Å; F123-H127 HydrophobicContact CZ-CB 4.34Å; F123-H127 WeakPolarHBondContact O-CB 3.38Å; F123-H127 PolarHBondContact O-N 3.43Å; F123-H127 PolarHBondContact O-ND1 2.99Å; H127-E129 VanDerWaalsContact C-N 3.31Å; H127-E129 PolarHBondContact O-N 2.97Å; H127-Q130 PolarHBondContact CD2-OE1 3.25Å; H127-Q130 PolarHBondContact O-N 2.86Å; H127-I131 HydrophobicContact CB-CD1 3.99Å; H127-I131 HydrophobicContact CB-CG1 4.1Å; H127-I131 VanDerWaalsContact O-CG1 3.23Å; H127-I131 WeakPolarHBondContact O-CG1 3.49Å; H127-I131 PolarHBondContact O-N 3.27Å
128E88.9Confident86.3Confident118 Ų11880.8 Ų80.855%0.55142%0.416SS*.Hα-helixtrans-52.2-45.9-171-174.1171.1-166.400113.1V124 I131 Q132V124-E128 WeakPolarHBondContact O-CA 3.47Å; V124-E128 WeakPolarHBondContact O-CB 3.26Å; V124-E128 PolarHBondContact O-N 3.4Å; E128-I131 PolarHBondContact O-N 2.87Å; E128-Q132 VanDerWaalsContact O-CG 3.3Å; E128-Q132 WeakPolarHBondContact O-CG 3.37Å; E128-Q132 PolarHBondContact O-N 2.84Å
129E86.5Confident85.2Confident155 Ų15578.4 Ų78.472%0.72440%0.403SS*.Hα-helixtrans-64.2-42.3179.9-65.2-172175.400112.6H127 R133H127-E129 VanDerWaalsContact C-N 3.31Å; H127-E129 PolarHBondContact O-N 2.97Å; E129-R133 WeakPolarHBondContact O-CB 3.24Å; E129-R133 PolarHBondContact O-N 3.23Å
130Q86.4Confident84.3Confident54 Ų5485.1 Ų85.125%0.25242%0.424SS..Hα-helixtrans-68.7-42.9178.9-67.8155.2-48.700110.6L82 H127 Q132 R133 N134L82-Q130 HydrophobicContact CD2-CB 3.55Å; L82-Q130 HydrophobicContact CD2-CG 4.13Å; H127-Q130 PolarHBondContact CD2-OE1 3.25Å; H127-Q130 PolarHBondContact O-N 2.86Å; Q130-Q132 VanDerWaalsContact C-N 3.32Å; Q130-Q132 PolarHBondContact O-N 2.87Å; Q130-R133 PolarHBondContact O-N 3.13Å; Q130-N134 WeakPolarHBondContact O-CB 3.36Å; Q130-N134 PolarHBondContact O-N 3.23Å
131I88.1Confident83.3Confident11 Ų1189.2 Ų89.26%0.05645%0.446CS..Hα-helixtrans-58.2-47178.4-66.7169.9000110.2T79 N81 F123 H127 E128 N134 K135T79-I131 HydrophobicContact CG2-CD1 4.28Å; T79-I131 VanDerWaalsContact O-CD1 3.23Å; T79-I131 WeakPolarHBondContact O-CD1 3.28Å; T79-I131 VanDerWaalsContact O-CG1 3.23Å; T79-I131 WeakPolarHBondContact O-CG1 3.24Å; N81-I131 PolarHBondContact ND2-O 3.5Å; N81-I131 VanDerWaalsContact OD1-CA 3.3Å; N81-I131 WeakPolarHBondContact OD1-CA 3.41Å; F123-I131 HydrophobicContact CD1-CD1 4.48Å; F123-I131 HydrophobicContact CE1-CD1 4.09Å; H127-I131 HydrophobicContact CB-CD1 3.99Å; H127-I131 HydrophobicContact CB-CG1 4.1Å; H127-I131 VanDerWaalsContact O-CG1 3.23Å; H127-I131 WeakPolarHBondContact O-CG1 3.49Å; H127-I131 PolarHBondContact O-N 3.27Å; E128-I131 PolarHBondContact O-N 2.87Å; I131-N134 PolarHBondContact O-N 2.95Å; I131-K135 WeakPolarHBondContact O-CG 3.42Å; I131-K135 PolarHBondContact O-N 2.88Å
132Q86.4Confident82.4Confident105 Ų10590.8 Ų90.849%0.49144%0.443SS..Hα-helixtrans-66.5-41.4178.6-67.2-672.300112.1E128 Q130 N134 K135E128-Q132 VanDerWaalsContact O-CG 3.3Å; E128-Q132 WeakPolarHBondContact O-CG 3.37Å; E128-Q132 PolarHBondContact O-N 2.84Å; Q130-Q132 VanDerWaalsContact C-N 3.32Å; Q130-Q132 PolarHBondContact O-N 2.87Å; Q132-N134 VanDerWaalsContact C-N 3.26Å; Q132-N134 PolarHBondContact O-N 3.06Å; Q132-K135 VanDerWaalsContact CD-NZ 3.29Å; Q132-K135 VanDerWaalsContact NE2-NZ 3.14Å; Q132-K135 PolarHBondContact O-N 3.5Å
133R83.5Confident81.8Confident152 Ų15289.8 Ų89.857%0.57444%0.441SS*.Hα-helixtrans-59.8-38.4176.2-168.1-175.9-61.6155.22.9111.8E129 Q130E129-R133 WeakPolarHBondContact O-CB 3.24Å; E129-R133 PolarHBondContact O-N 3.23Å; Q130-R133 PolarHBondContact O-N 3.13Å
134N84.2Confident81.2Confident4 Ų496.7 Ų96.72%0.02147%0.467CS..Hα-helixtrans-82.8-12.8-176.1-72.6-9.7000114.4N81 D86 Q130 I131 Q132 G136 R137N81-N134 WeakPolarHBondContact ND2-CB 3.46Å; N81-N134 WeakPolarHBondContact O-CB 3.27Å; N81-N134 PolarHBondContact O-ND2 3.35Å; D86-N134 PolarHBondContact OD2-ND2 3.37Å; Q130-N134 WeakPolarHBondContact O-CB 3.36Å; Q130-N134 PolarHBondContact O-N 3.23Å; I131-N134 PolarHBondContact O-N 2.95Å; Q132-N134 VanDerWaalsContact C-N 3.26Å; Q132-N134 PolarHBondContact O-N 3.06Å; N134-G136 VanDerWaalsContact C-N 3.25Å; N134-G136 PolarHBondContact O-N 2.66Å; N134-R137 PolarHBondContact O-N 3.11Å
135K79.9Confident80.4Confident122 Ų12298.3 Ų98.353%0.5347%0.473SS..THydrogen-bonded Turntrans-62.1-27.9179.6-82.7177-169.4167.90114.6I131 Q132I131-K135 WeakPolarHBondContact O-CG 3.42Å; I131-K135 PolarHBondContact O-N 2.88Å; Q132-K135 VanDerWaalsContact CD-NZ 3.29Å; Q132-K135 VanDerWaalsContact NE2-NZ 3.14Å; Q132-K135 PolarHBondContact O-N 3.5Å
136G72.9Confident79.8Confident70 Ų7094.3 Ų94.372%0.72246%0.457SS*.THydrogen-bonded Turntrans-109.4-1.818000000114.6N134N134-G136 VanDerWaalsContact C-N 3.25Å; N134-G136 PolarHBondContact O-N 2.66Å
137R73.4Confident79.3Confident109 Ų10991.3 Ų91.341%0.41145%0.451SS..  trans-92.9114.3-173.3-166.3175.9177.1-160.5-7.6109.7R83 E85 N134 S139R83-R137 PolarHBondContact NH2-O 2.91Å; E85-R137 IonicContact OE1-CZ 3.58Å; E85-R137 IonicContact OE1-NE 3.33Å; E85-R137 IonicContact OE1-NH1 3.66Å; E85-R137 PolarHBondContact OE1-NH1 3.29Å; E85-R137 IonicContact OE1-NH2 2.86Å; E85-R137 PolarHBondContact OE1-NH2 3.01Å; E85-R137 IonicContact OE2-CZ 2.89Å; E85-R137 IonicContact OE2-NH1 2.85Å; E85-R137 IonicContact OE2-NH2 3.09Å; E85-R137 PolarHBondContact OE2-NH2 3Å; N134-R137 PolarHBondContact O-N 3.11Å; R137-S139 PolarHBondContact O-N 3.35Å
138L67.9Low78.8Confident94 Ų9493.1 Ų93.149%0.49246%0.461SS..  trans-63.2133.2172-70.697.2000109.3E142 A143 E146L138-E142 HydrophobicContact CB-CB 4.01Å; L138-E142 HydrophobicContact CD2-CB 4.09Å; L138-E142 HydrophobicContact CG-CB 4.4Å; L138-A143 HydrophobicContact CB-CB 4.09Å; L138-E146 HydrophobicContact CD2-CB 4.25Å
139S68.3Low78.3Confident36 Ų3691.4 Ų91.425%0.25246%0.455SS..  trans-53155.8164.31710000110.3R137 D141 E142 A143R137-S139 PolarHBondContact O-N 3.35Å; S139-D141 PolarHBondContact O-N 3.07Å; S139-D141 PolarHBondContact OG-N 3.28Å; S139-E142 WeakPolarHBondContact CB-OE2 3.3Å; S139-E142 PolarHBondContact N-OE2 3.26Å; S139-E142 PolarHBondContact O-N 3.18Å; S139-A143 WeakPolarHBondContact O-CB 3.23Å; S139-A143 PolarHBondContact O-N 3.09Å
140K71.9Confident78.2Confident186 Ų18688 Ų8881%0.80944%0.439SS*.Hα-helixtrans-51.3-41.2170.6-84.4-178.1177.81720111.5W144K140-W144 VanDerWaalsContact O-CB 3.25Å; K140-W144 WeakPolarHBondContact O-CB 3.43Å; K140-W144 PolarHBondContact O-N 3.49Å
141D69.4Low77.9Confident114 Ų11491.2 Ų91.261%0.6145%0.454SS*.Hα-helixtrans-69.7-41.5177.6-72.6-1.3000111.9S139 W144 I145S139-D141 PolarHBondContact O-N 3.07Å; S139-D141 PolarHBondContact OG-N 3.28Å; D141-W144 PolarHBondContact O-N 2.9Å; D141-I145 WeakPolarHBondContact O-CB 3.29Å; D141-I145 WeakPolarHBondContact O-CD1 3.42Å; D141-I145 WeakPolarHBondContact O-CG1 2.68Å; D141-I145 PolarHBondContact O-N 2.76Å
142E74.5Confident77.4Confident93 Ų9394.2 Ų94.244%0.43547%0.47SS..Hα-helixtrans-66.2-40.8177.5-70.3170.5156.800111.5R83 L138 S139 W144 I145 E146R83-E142 IonicContact NH2-OE2 2.77Å; L138-E142 HydrophobicContact CB-CB 4.01Å; L138-E142 HydrophobicContact CD2-CB 4.09Å; L138-E142 HydrophobicContact CG-CB 4.4Å; S139-E142 WeakPolarHBondContact CB-OE2 3.3Å; S139-E142 PolarHBondContact N-OE2 3.26Å; S139-E142 PolarHBondContact O-N 3.18Å; E142-W144 VanDerWaalsContact C-N 3.33Å; E142-I145 PolarHBondContact O-N 2.79Å; E142-E146 WeakPolarHBondContact O-CB 3.04Å; E142-E146 PolarHBondContact O-N 2.99Å
143A78.8Confident77.2Confident46 Ų4694.2 Ų94.238%0.3847%0.466SS..Hα-helixtrans-65.5-38.317500000111.5L138 S139 S147L138-A143 HydrophobicContact CB-CB 4.09Å; S139-A143 WeakPolarHBondContact O-CB 3.23Å; S139-A143 PolarHBondContact O-N 3.09Å; A143-S147 WeakPolarHBondContact O-CB 3.44Å; A143-S147 PolarHBondContact O-N 3.18Å
144W79.8Confident77.4Confident160 Ų16090.9 Ų90.961%0.60646%0.459SS*.Hα-helixtrans-65.6-44.6173.8-179.980.6000111.8K140 D141 E142 S147 M148K140-W144 VanDerWaalsContact O-CB 3.25Å; K140-W144 WeakPolarHBondContact O-CB 3.43Å; K140-W144 PolarHBondContact O-N 3.49Å; D141-W144 PolarHBondContact O-N 2.9Å; E142-W144 VanDerWaalsContact C-N 3.33Å; W144-S147 PolarHBondContact O-N 3.45Å; W144-M148 HydrophobicContact CD2-CE 4.5Å; W144-M148 HydrophobicContact CZ2-CE 3.65Å; W144-M148 WeakPolarHBondContact O-CB 3.36Å; W144-M148 PolarHBondContact O-N 2.98Å
145I74.4Confident77.2Confident87 Ų8795.2 Ų95.245%0.44648%0.48SS..Hα-helixtrans-59.2-48.2174.7-70.7161.3000110.4D141 E142 S147 M148 L149D141-I145 WeakPolarHBondContact O-CB 3.29Å; D141-I145 WeakPolarHBondContact O-CD1 3.42Å; D141-I145 WeakPolarHBondContact O-CG1 2.68Å; D141-I145 PolarHBondContact O-N 2.76Å; E142-I145 PolarHBondContact O-N 2.79Å; I145-S147 VanDerWaalsContact C-N 3.35Å; I145-S147 PolarHBondContact O-N 3.34Å; I145-M148 WeakPolarHBondContact O-CB 3.45Å; I145-M148 PolarHBondContact O-N 3.19Å; I145-M148 VanDerWaalsContact O-N 3.13Å; I145-L149 HydrophobicContact CG2-CD1 3.95Å; I145-L149 HydrophobicContact CG2-CG 4.35Å; I145-L149 WeakPolarHBondContact O-CG 3.17Å; I145-L149 PolarHBondContact O-N 3.32Å
146E78Confident77Confident86 Ų8694.8 Ų94.840%0.40248%0.48SS..Hα-helixtrans-63.3-41.2-180-169.760.3-134.600111.7L138 E142 M148 L149 E150 R153L138-E146 HydrophobicContact CD2-CB 4.25Å; E142-E146 WeakPolarHBondContact O-CB 3.04Å; E142-E146 PolarHBondContact O-N 2.99Å; E146-M148 VanDerWaalsContact C-N 3.27Å; E146-M148 PolarHBondContact O-N 3.35Å; E146-L149 PolarHBondContact O-N 3.2Å; E146-E150 WeakPolarHBondContact O-CB 3.18Å; E146-E150 PolarHBondContact O-N 3.16Å; E146-R153 IonicContact OE1-CZ 3.21Å; E146-R153 IonicContact OE1-NH1 2.71Å; E146-R153 IonicContact OE1-NH2 3.69Å; E146-R153 PolarHBondContact OE1-NH2 3.1Å
147S80.5Confident77.6Confident74 Ų7496.5 Ų96.552%0.51747%0.472SS..Hα-helixtrans-60.2-38.4174-174.30000112A143 W144 I145 E151A143-S147 WeakPolarHBondContact O-CB 3.44Å; A143-S147 PolarHBondContact O-N 3.18Å; W144-S147 PolarHBondContact O-N 3.45Å; I145-S147 VanDerWaalsContact C-N 3.35Å; I145-S147 PolarHBondContact O-N 3.34Å; S147-E151 WeakPolarHBondContact O-CB 3.37Å; S147-E151 PolarHBondContact O-N 3.34Å
148M80.4Confident78.1Confident80 Ų8098.8 Ų98.839%0.39448%0.48SS..Hα-helixtrans-71.9-40.7-179.8-154.961.259.100111.6W144 I145 E146 E150 E151 D152W144-M148 HydrophobicContact CD2-CE 4.5Å; W144-M148 HydrophobicContact CZ2-CE 3.65Å; W144-M148 WeakPolarHBondContact O-CB 3.36Å; W144-M148 PolarHBondContact O-N 2.98Å; I145-M148 WeakPolarHBondContact O-CB 3.45Å; I145-M148 PolarHBondContact O-N 3.19Å; I145-M148 VanDerWaalsContact O-N 3.13Å; E146-M148 VanDerWaalsContact C-N 3.27Å; E146-M148 PolarHBondContact O-N 3.35Å; M148-E150 VanDerWaalsContact C-N 3.33Å; M148-E151 PolarHBondContact O-N 3.36Å; M148-D152 WeakPolarHBondContact O-CB 3.17Å; M148-D152 PolarHBondContact O-N 2.92Å
149L79.4Confident78.6Confident82 Ų8297.8 Ų97.843%0.42948%0.478SS..Hα-helixtrans-63.6-39.1174.1-69.8173.3000111.5I145 E146 D152 R153I145-L149 HydrophobicContact CG2-CD1 3.95Å; I145-L149 HydrophobicContact CG2-CG 4.35Å; I145-L149 WeakPolarHBondContact O-CG 3.17Å; I145-L149 PolarHBondContact O-N 3.32Å; E146-L149 PolarHBondContact O-N 3.2Å; L149-D152 PolarHBondContact O-N 2.74Å; L149-R153 WeakPolarHBondContact O-CG 3.29Å; L149-R153 PolarHBondContact O-N 3.19Å
150E84.2Confident79.2Confident84 Ų84101.5 Ų101.539%0.39349%0.491SS..Hα-helixtrans-66.3-41.5175.3-174.958-153.500111.9E146 M148 D152 R153 L154E146-E150 WeakPolarHBondContact O-CB 3.18Å; E146-E150 PolarHBondContact O-N 3.16Å; M148-E150 VanDerWaalsContact C-N 3.33Å; E150-D152 VanDerWaalsContact C-N 3.3Å; E150-D152 PolarHBondContact O-N 2.92Å; E150-R153 PolarHBondContact O-N 2.87Å; E150-R153 IonicContact OE2-CZ 3.22Å; E150-R153 IonicContact OE2-NE 3.09Å; E150-R153 PolarHBondContact OE2-NE 3.46Å; E150-R153 IonicContact OE2-NH2 2.82Å; E150-R153 PolarHBondContact OE2-NH2 2.9Å; E150-L154 HydrophobicContact CG-CD1 4.06Å; E150-L154 WeakPolarHBondContact O-CB 3.45Å; E150-L154 PolarHBondContact O-N 3.2Å
151E80.7Confident79.8Confident120 Ų12097.3 Ų97.356%0.56148%0.475SS*.Hα-helixtrans-63.3-37.7176.8-161.8169.7-159.300111.8S147 M148 L154 M155S147-E151 WeakPolarHBondContact O-CB 3.37Å; S147-E151 PolarHBondContact O-N 3.34Å; M148-E151 PolarHBondContact O-N 3.36Å; E151-L154 PolarHBondContact O-N 2.87Å; E151-M155 PolarHBondContact O-N 2.72Å
152D76.6Confident80.4Confident75 Ų7597.1 Ų97.140%0.40147%0.472SS..Hα-helixtrans-67.1-44.3174-162.952000112M148 L149 E150 L154 M155 H156M148-D152 WeakPolarHBondContact O-CB 3.17Å; M148-D152 PolarHBondContact O-N 2.92Å; L149-D152 PolarHBondContact O-N 2.74Å; E150-D152 VanDerWaalsContact C-N 3.3Å; E150-D152 PolarHBondContact O-N 2.92Å; D152-L154 VanDerWaalsContact C-N 3.35Å; D152-L154 PolarHBondContact O-N 2.78Å; D152-M155 WeakPolarHBondContact O-CB 3.48Å; D152-M155 PolarHBondContact O-N 2.95Å; D152-M155 VanDerWaalsContact O-N 3.12Å; D152-H156 PolarHBondContact O-CD2 3.14Å; D152-H156 VanDerWaalsContact O-CD2 3.24Å; D152-H156 PolarHBondContact O-N 3.46Å; D152-H156 IonicContact OD2-CD2 2.81Å; D152-H156 IonicContact OD2-NE2 3.32Å
153R81.6Confident80.8Confident104 Ų10497.5 Ų97.539%0.39248%0.476SS..Hα-helixtrans-57-46.4172.7-75.1-172.6-67.1-102.911.1111.8E146 L149 E150 M155 H156 L157E146-R153 IonicContact OE1-CZ 3.21Å; E146-R153 IonicContact OE1-NH1 2.71Å; E146-R153 IonicContact OE1-NH2 3.69Å; E146-R153 PolarHBondContact OE1-NH2 3.1Å; L149-R153 WeakPolarHBondContact O-CG 3.29Å; L149-R153 PolarHBondContact O-N 3.19Å; E150-R153 PolarHBondContact O-N 2.87Å; E150-R153 IonicContact OE2-CZ 3.22Å; E150-R153 IonicContact OE2-NE 3.09Å; E150-R153 PolarHBondContact OE2-NE 3.46Å; E150-R153 IonicContact OE2-NH2 2.82Å; E150-R153 PolarHBondContact OE2-NH2 2.9Å; R153-M155 VanDerWaalsContact C-N 3.31Å; R153-M155 PolarHBondContact O-N 3.14Å; R153-H156 PolarHBondContact O-N 3.06Å; R153-L157 WeakPolarHBondContact O-CG 3.44Å; R153-L157 PolarHBondContact O-N 2.93Å
154L87.8Confident81Confident83 Ų8399.4 Ų99.444%0.43548%0.479SS..Hα-helixtrans-64.8-33.2176.3-86.4154.3000112.7E150 E151 D152 R158E150-L154 HydrophobicContact CG-CD1 4.06Å; E150-L154 WeakPolarHBondContact O-CB 3.45Å; E150-L154 PolarHBondContact O-N 3.2Å; E151-L154 PolarHBondContact O-N 2.87Å; D152-L154 VanDerWaalsContact C-N 3.35Å; D152-L154 PolarHBondContact O-N 2.78Å; L154-R158 PolarHBondContact O-N 3.4Å
155M80.4Confident81.1Confident94 Ų9499 Ų9946%0.46348%0.478SS..Hα-helixtrans-65.8-47.5173.4-165.7-145.9-54.400110.6E151 D152 R153 L157 R158 V159E151-M155 PolarHBondContact O-N 2.72Å; D152-M155 WeakPolarHBondContact O-CB 3.48Å; D152-M155 PolarHBondContact O-N 2.95Å; D152-M155 VanDerWaalsContact O-N 3.12Å; R153-M155 VanDerWaalsContact C-N 3.31Å; R153-M155 PolarHBondContact O-N 3.14Å; M155-L157 PolarHBondContact O-N 3.48Å; M155-R158 WeakPolarHBondContact O-CB 3.43Å; M155-R158 PolarHBondContact O-N 3.27Å; M155-R158 VanDerWaalsContact O-N 3.14Å; M155-V159 WeakPolarHBondContact O-CG2 3.35Å; M155-V159 PolarHBondContact O-N 3.06Å
156H77.2Confident81.2Confident114 Ų114100 Ų10053%0.52848%0.48SS..Hα-helixtrans-58.8-46.4178.2-83.4-66.7000112.4D152 R153 R158 V159 E160D152-H156 PolarHBondContact O-CD2 3.14Å; D152-H156 VanDerWaalsContact O-CD2 3.24Å; D152-H156 PolarHBondContact O-N 3.46Å; D152-H156 IonicContact OD2-CD2 2.81Å; D152-H156 IonicContact OD2-NE2 3.32Å; R153-H156 PolarHBondContact O-N 3.06Å; H156-R158 VanDerWaalsContact C-N 3.28Å; H156-R158 PolarHBondContact O-N 2.96Å; H156-V159 PolarHBondContact O-N 3.45Å; H156-E160 PolarHBondContact O-N 3.39Å
157L84.9Confident81.3Confident105 Ų105101.4 Ų101.455%0.5549%0.487SS..Hα-helixtrans-59.2-38.4175.1-74.3169.1000112.4R153 M155 E160 E161R153-L157 WeakPolarHBondContact O-CG 3.44Å; R153-L157 PolarHBondContact O-N 2.93Å; M155-L157 PolarHBondContact O-N 3.48Å; L157-E160 PolarHBondContact O-N 2.94Å; L157-E161 PolarHBondContact O-N 3.48Å
158R83.7Confident81.3Confident158 Ų158105.1 Ų105.160%0.59649%0.494SS*.Hα-helixtrans-65.9-41.3177.3-128.7-179.4-61.7179.81.7112.1L154 M155 H156 M162L154-R158 PolarHBondContact O-N 3.4Å; M155-R158 WeakPolarHBondContact O-CB 3.43Å; M155-R158 PolarHBondContact O-N 3.27Å; M155-R158 VanDerWaalsContact O-N 3.14Å; H156-R158 VanDerWaalsContact C-N 3.28Å; H156-R158 PolarHBondContact O-N 2.96Å; R158-M162 WeakPolarHBondContact O-CG 3.48Å; R158-M162 PolarHBondContact O-N 3.23Å; R158-M162 VanDerWaalsContact O-N 3.13Å
159V79.2Confident81.4Confident73 Ų73106.6 Ų106.644%0.44250%0.503SS..Hα-helixtrans-65.8-42.3176.6173.30000110.2M155 H156 M162 L163M155-V159 WeakPolarHBondContact O-CG2 3.35Å; M155-V159 PolarHBondContact O-N 3.06Å; H156-V159 PolarHBondContact O-N 3.45Å; V159-M162 PolarHBondContact O-N 2.84Å; V159-L163 HydrophobicContact CG1-CD1 4.09Å; V159-L163 WeakPolarHBondContact O-CG 3.33Å; V159-L163 PolarHBondContact O-N 3.45Å
160E80Confident81.2Confident113 Ų113109 Ų10953%0.52851%0.512SS..Hα-helixtrans-62.2-45.3176.8-171.1176.2-17000112.1H156 L157 M162 L163 L164H156-E160 PolarHBondContact O-N 3.39Å; L157-E160 PolarHBondContact O-N 2.94Å; E160-M162 VanDerWaalsContact C-N 3.29Å; E160-M162 PolarHBondContact O-N 3.36Å; E160-L163 PolarHBondContact O-N 3.19Å; E160-L164 HydrophobicContact CG-CD1 4.27Å; E160-L164 PolarHBondContact O-N 2.88Å
161E83.7Confident81.1Confident99 Ų99108.6 Ų108.646%0.46352%0.515SS..Hα-helixtrans-61.3-38.6176.3-163.3-168.4160.200112L157 L164 R165L157-E161 PolarHBondContact O-N 3.48Å; E161-L164 PolarHBondContact O-N 3.24Å; E161-R165 PolarHBondContact O-N 3.39Å; E161-R165 IonicContact OE1-CZ 2.98Å; E161-R165 IonicContact OE1-NE 3.65Å; E161-R165 IonicContact OE1-NH2 3.36Å; E161-R165 PolarHBondContact OE1-NH2 3.47Å
162M81.8Confident81Confident110 Ų110105.4 Ų105.454%0.54251%0.51SS..Hα-helixtrans-65.1-44.5175.4-74.7-177.163.800112.2R158 V159 E160 L164 R165 E166R158-M162 WeakPolarHBondContact O-CG 3.48Å; R158-M162 PolarHBondContact O-N 3.23Å; R158-M162 VanDerWaalsContact O-N 3.13Å; V159-M162 PolarHBondContact O-N 2.84Å; E160-M162 VanDerWaalsContact C-N 3.29Å; E160-M162 PolarHBondContact O-N 3.36Å; M162-L164 VanDerWaalsContact C-N 3.33Å; M162-L164 PolarHBondContact O-N 3.02Å; M162-R165 PolarHBondContact O-N 3.4Å; M162-E166 PolarHBondContact O-N 3.22Å
163L83.1Confident81Confident101 Ų101107.6 Ų107.653%0.52952%0.522SS..Hα-helixtrans-62.6-40.6177-72169.8000111.5V159 E160 R165 E166 Q167V159-L163 HydrophobicContact CG1-CD1 4.09Å; V159-L163 WeakPolarHBondContact O-CG 3.33Å; V159-L163 PolarHBondContact O-N 3.45Å; E160-L163 PolarHBondContact O-N 3.19Å; L163-R165 VanDerWaalsContact C-N 3.34Å; L163-R165 PolarHBondContact O-N 2.78Å; L163-E166 PolarHBondContact O-N 3.35Å; L163-Q167 WeakPolarHBondContact O-CB 3.48Å; L163-Q167 PolarHBondContact O-N 3.06Å
164L83.7Confident80.8Confident86 Ų86105.5 Ų105.545%0.4553%0.527SS..Hα-helixtrans-62.9-37.9174.9-79.5163.9000112.3E160 E161 M162 K168E160-L164 HydrophobicContact CG-CD1 4.27Å; E160-L164 PolarHBondContact O-N 2.88Å; E161-L164 PolarHBondContact O-N 3.24Å; M162-L164 VanDerWaalsContact C-N 3.33Å; M162-L164 PolarHBondContact O-N 3.02Å; L164-K168 WeakPolarHBondContact O-CG 3.28Å; L164-K168 PolarHBondContact O-N 2.74Å
165R81.2Confident80.5Confident152 Ų152107.4 Ų107.457%0.57453%0.533SS*.Hα-helixtrans-67.4-46.5173.6-74.9-176.3-167.4-172.65.2111.9E161 M162 L163 Q167 K168 D169E161-R165 PolarHBondContact O-N 3.39Å; E161-R165 IonicContact OE1-CZ 2.98Å; E161-R165 IonicContact OE1-NE 3.65Å; E161-R165 IonicContact OE1-NH2 3.36Å; E161-R165 PolarHBondContact OE1-NH2 3.47Å; M162-R165 PolarHBondContact O-N 3.4Å; L163-R165 VanDerWaalsContact C-N 3.34Å; L163-R165 PolarHBondContact O-N 2.78Å; R165-Q167 VanDerWaalsContact C-N 3.26Å; R165-Q167 PolarHBondContact O-N 3.34Å; R165-K168 PolarHBondContact O-N 3.13Å; R165-K168 VanDerWaalsContact O-N 3.15Å; R165-D169 PolarHBondContact O-N 3.08Å
166E78Confident80.3Confident106 Ų106105.4 Ų105.450%0.49553%0.532SS..Hα-helixtrans-59.5-39.2176.3-75.3-174172.800111.8M162 L163 D169 Q170M162-E166 PolarHBondContact O-N 3.22Å; L163-E166 PolarHBondContact O-N 3.35Å; E166-D169 PolarHBondContact O-N 3.19Å; E166-Q170 WeakPolarHBondContact O-CB 3.44Å; E166-Q170 VanDerWaalsContact O-CG 3.25Å; E166-Q170 WeakPolarHBondContact O-CG 3.12Å; E166-Q170 PolarHBondContact O-N 3.45Å
167Q78.6Confident80.4Confident117 Ų117106 Ų10655%0.54754%0.538SS..Hα-helixtrans-66.1-42.9175.8-166.5177.320.100111.7L163 R165 Q170 V171L163-Q167 WeakPolarHBondContact O-CB 3.48Å; L163-Q167 PolarHBondContact O-N 3.06Å; R165-Q167 VanDerWaalsContact C-N 3.26Å; R165-Q167 PolarHBondContact O-N 3.34Å; Q167-Q170 PolarHBondContact O-N 2.95Å; Q167-V171 WeakPolarHBondContact O-CG2 3.31Å; Q167-V171 PolarHBondContact O-N 2.98Å
168K82Confident80Confident151 Ų151106.4 Ų106.466%0.65754%0.537SS*.Hα-helixtrans-61.1-43.8174-78.1179.3179.6-179.80112.1L164 R165 Q170 V171 A172L164-K168 WeakPolarHBondContact O-CG 3.28Å; L164-K168 PolarHBondContact O-N 2.74Å; R165-K168 PolarHBondContact O-N 3.13Å; R165-K168 VanDerWaalsContact O-N 3.15Å; K168-Q170 VanDerWaalsContact C-N 3.33Å; K168-Q170 PolarHBondContact O-N 2.96Å; K168-V171 PolarHBondContact O-N 3.17Å; K168-A172 WeakPolarHBondContact O-CB 3.3Å; K168-A172 PolarHBondContact O-N 3.11Å
169D80.9Confident79.7Confident112 Ų112101.7 Ų101.760%0.59953%0.532SS*.Hα-helixtrans-64.4-39.1177.7-69.7-15.8000111.1R165 E166 N173R165-D169 PolarHBondContact O-N 3.08Å; E166-D169 PolarHBondContact O-N 3.19Å; D169-N173 VanDerWaalsContact O-CB 3.25Å; D169-N173 WeakPolarHBondContact O-CB 3.49Å; D169-N173 PolarHBondContact O-N 2.94Å
170Q75.9Confident79.6Confident131 Ų131102.4 Ų102.461%0.61253%0.533SS*.Hα-helixtrans-64.3-43.9174.7-76.5174.524.600112.4E166 Q167 K168 N173 A174E166-Q170 WeakPolarHBondContact O-CB 3.44Å; E166-Q170 VanDerWaalsContact O-CG 3.25Å; E166-Q170 WeakPolarHBondContact O-CG 3.12Å; E166-Q170 PolarHBondContact O-N 3.45Å; Q167-Q170 PolarHBondContact O-N 2.95Å; K168-Q170 VanDerWaalsContact C-N 3.33Å; K168-Q170 PolarHBondContact O-N 2.96Å; Q170-N173 PolarHBondContact O-N 3.07Å; Q170-A174 WeakPolarHBondContact O-CB 3.28Å; Q170-A174 PolarHBondContact O-N 3.42Å
171V81.2Confident79.4Confident76 Ų7699.3 Ų99.346%0.46153%0.527SS..Hα-helixtrans-63.3-48.1176.8172.30000110.3Q167 K168 N173 A174 E175Q167-V171 WeakPolarHBondContact O-CG2 3.31Å; Q167-V171 PolarHBondContact O-N 2.98Å; K168-V171 PolarHBondContact O-N 3.17Å; V171-N173 VanDerWaalsContact C-N 3.29Å; V171-N173 PolarHBondContact O-N 3.36Å; V171-A174 PolarHBondContact O-N 2.91Å; V171-A174 VanDerWaalsContact O-N 3.15Å; V171-E175 HydrophobicContact CG1-CG 4.46Å; V171-E175 WeakPolarHBondContact O-CG 3.31Å; V171-E175 PolarHBondContact O-N 3.39Å
172A80.1Confident79.2Confident54 Ų54101 Ų10145%0.44653%0.533SS..Hα-helixtrans-59.8-39.7177.700000112.2K168 E175 A176K168-A172 WeakPolarHBondContact O-CB 3.3Å; K168-A172 PolarHBondContact O-N 3.11Å; A172-E175 PolarHBondContact O-N 3.03Å; A172-A176 WeakPolarHBondContact O-CB 3.4Å; A172-A176 PolarHBondContact O-N 3.01Å
173N76.2Confident79Confident121 Ų12197.5 Ų97.565%0.64752%0.521SS*.Hα-helixtrans-70.2-35.4178-153.824.4000112D169 Q170 V171 L177D169-N173 VanDerWaalsContact O-CB 3.25Å; D169-N173 WeakPolarHBondContact O-CB 3.49Å; D169-N173 PolarHBondContact O-N 2.94Å; Q170-N173 PolarHBondContact O-N 3.07Å; V171-N173 VanDerWaalsContact C-N 3.29Å; V171-N173 PolarHBondContact O-N 3.36Å; N173-L177 WeakPolarHBondContact O-CB 3.43Å; N173-L177 PolarHBondContact O-N 3.31Å; N173-L177 VanDerWaalsContact O-N 3.07Å
174A76.2Confident78.7Confident60 Ų6094.6 Ų94.650%0.49651%0.508SS..Hα-helixtrans-67.3-41.8173.800000112Q170 V171 L177 Q178Q170-A174 WeakPolarHBondContact O-CB 3.28Å; Q170-A174 PolarHBondContact O-N 3.42Å; V171-A174 PolarHBondContact O-N 2.91Å; V171-A174 VanDerWaalsContact O-N 3.15Å; A174-L177 PolarHBondContact O-N 3.3Å; A174-Q178 WeakPolarHBondContact O-CB 3.46Å; A174-Q178 PolarHBondContact O-N 2.94Å
175E81.4Confident78.4Confident123 Ų12395.3 Ų95.358%0.57551%0.511SS*.Hα-helixtrans-63.8-43.2175.4-73.3-179.4166.900111.9V171 A172 L177 Q178 A179V171-E175 HydrophobicContact CG1-CG 4.46Å; V171-E175 WeakPolarHBondContact O-CG 3.31Å; V171-E175 PolarHBondContact O-N 3.39Å; A172-E175 PolarHBondContact O-N 3.03Å; E175-L177 PolarHBondContact O-N 2.87Å; E175-Q178 PolarHBondContact O-N 3.37Å; E175-A179 PolarHBondContact O-N 2.99Å
176A77.1Confident78.2Confident52 Ų5290.8 Ų90.843%0.4350%0.503SS..Hα-helixtrans-60.2-44.8175.100000111.7A172 Q178 A179 D180A172-A176 WeakPolarHBondContact O-CB 3.4Å; A172-A176 PolarHBondContact O-N 3.01Å; A176-Q178 VanDerWaalsContact C-N 3.31Å; A176-Q178 PolarHBondContact O-N 3.06Å; A176-A179 PolarHBondContact O-N 3.13Å; A176-D180 PolarHBondContact O-N 3.4Å
177L78.4Confident78.2Confident126 Ų12688.6 Ų88.666%0.6650%0.495SS*.Hα-helixtrans-62.8-38.4176.7-170.968.5000112N173 A174 E175 D180 A181N173-L177 WeakPolarHBondContact O-CB 3.43Å; N173-L177 PolarHBondContact O-N 3.31Å; N173-L177 VanDerWaalsContact O-N 3.07Å; A174-L177 PolarHBondContact O-N 3.3Å; E175-L177 PolarHBondContact O-N 2.87Å; L177-D180 PolarHBondContact O-N 3.49Å; L177-A181 WeakPolarHBondContact O-CB 3.38Å; L177-A181 PolarHBondContact O-N 3.37Å
178Q76.4Confident78.1Confident114 Ų11486.2 Ų86.253%0.53349%0.485SS..Hα-helixtrans-69.2-38177.1-164.8-179.818.900112.1A174 E175 A176 A181 K182A174-Q178 WeakPolarHBondContact O-CB 3.46Å; A174-Q178 PolarHBondContact O-N 2.94Å; E175-Q178 PolarHBondContact O-N 3.37Å; A176-Q178 VanDerWaalsContact C-N 3.31Å; A176-Q178 PolarHBondContact O-N 3.06Å; Q178-A181 PolarHBondContact O-N 3.03Å; Q178-K182 WeakPolarHBondContact O-CG 3.07Å; Q178-K182 PolarHBondContact O-N 2.98Å
179A78.7Confident77.9Confident59 Ų5985.9 Ų85.949%0.48849%0.488SS..Hα-helixtrans-63.7-43174.200000111.6E175 A176 K182 A183E175-A179 PolarHBondContact O-N 2.99Å; A176-A179 PolarHBondContact O-N 3.13Å; A179-K182 PolarHBondContact O-N 3.4Å; A179-A183 PolarHBondContact O-N 2.94Å
180D77.1Confident77.9Confident87 Ų8787.1 Ų87.147%0.46549%0.489SS..Hα-helixtrans-62.4-43.2174.7-86.9-12.3000112A176 L177 K182 A183 V184A176-D180 PolarHBondContact O-N 3.4Å; L177-D180 PolarHBondContact O-N 3.49Å; D180-K182 PolarHBondContact O-N 2.84Å; D180-A183 PolarHBondContact O-N 3.4Å; D180-V184 WeakPolarHBondContact O-CG2 3.38Å; D180-V184 PolarHBondContact O-N 3.28Å
181A75.2Confident77.8Confident49 Ų4982.8 Ų82.841%0.40548%0.476SS..Hα-helixtrans-60.9-44.1175.800000111.8L177 Q178 A183 V184 I185L177-A181 WeakPolarHBondContact O-CB 3.38Å; L177-A181 PolarHBondContact O-N 3.37Å; Q178-A181 PolarHBondContact O-N 3.03Å; A181-A183 VanDerWaalsContact C-N 3.34Å; A181-A183 PolarHBondContact O-N 3.43Å; A181-V184 PolarHBondContact O-N 2.99Å; A181-I185 WeakPolarHBondContact O-CG1 3.33Å; A181-I185 PolarHBondContact O-N 3.39Å
182K78.9Confident77.8Confident134 Ų13487.6 Ų87.658%0.58350%0.5SS*.Hα-helixtrans-61.6-40.5175.2-75.4177.1179177.20112.2Q178 A179 D180 V184 I185 S186Q178-K182 WeakPolarHBondContact O-CG 3.07Å; Q178-K182 PolarHBondContact O-N 2.98Å; A179-K182 PolarHBondContact O-N 3.4Å; D180-K182 PolarHBondContact O-N 2.84Å; K182-V184 VanDerWaalsContact C-N 3.33Å; K182-V184 PolarHBondContact O-N 3.34Å; K182-I185 PolarHBondContact O-N 3.14Å; K182-S186 WeakPolarHBondContact O-CB 3.25Å; K182-S186 PolarHBondContact O-N 2.79Å
183A79.6Confident77.7Confident36 Ų3687 Ų8730%0.29849%0.494SS..Hα-helixtrans-63.3-39.4176.200000111.8A179 D180 A181 S186 D187A179-A183 PolarHBondContact O-N 2.94Å; D180-A183 PolarHBondContact O-N 3.4Å; A181-A183 VanDerWaalsContact C-N 3.34Å; A181-A183 PolarHBondContact O-N 3.43Å; A183-S186 PolarHBondContact O-N 3.21Å; A183-D187 VanDerWaalsContact O-CG 3.24Å; A183-D187 PolarHBondContact O-N 2.86Å
184V75.2Confident77.9Confident41 Ų4185.7 Ų85.725%0.24849%0.492CS..Hα-helixtrans-66.1-42.8175.5174.30000111.6D180 A181 K182 S186 D187 L188 K202D180-V184 WeakPolarHBondContact O-CG2 3.38Å; D180-V184 PolarHBondContact O-N 3.28Å; A181-V184 PolarHBondContact O-N 2.99Å; K182-V184 VanDerWaalsContact C-N 3.33Å; K182-V184 PolarHBondContact O-N 3.34Å; V184-S186 VanDerWaalsContact C-N 3.32Å; V184-S186 PolarHBondContact O-N 3.42Å; V184-D187 PolarHBondContact O-N 3.39Å; V184-L188 HydrophobicContact CG1-CD1 3.98Å; V184-L188 HydrophobicContact CG1-CG 4.47Å; V184-L188 WeakPolarHBondContact O-CB 3.47Å; V184-L188 WeakPolarHBondContact O-CG 3.31Å; V184-L188 PolarHBondContact O-N 2.99Å; V184-K202 HydrophobicContact CG2-CD 4.35Å; V184-K202 HydrophobicContact CG2-CG 3.97Å
185I77Confident78.1Confident100 Ų10085.8 Ų85.851%0.51349%0.493SS..Hα-helixtrans-61.9-43.2176.4-66.4164000110.2A181 K182 L188 M189A181-I185 WeakPolarHBondContact O-CG1 3.33Å; A181-I185 PolarHBondContact O-N 3.39Å; K182-I185 PolarHBondContact O-N 3.14Å; I185-L188 PolarHBondContact O-N 3.39Å; I185-M189 HydrophobicContact CG2-SD 4.36Å; I185-M189 WeakPolarHBondContact O-CG 3.23Å; I185-M189 PolarHBondContact O-N 3.08Å
186S77.4Confident78Confident57 Ų5787.9 Ų87.940%0.39950%0.503SS..Hα-helixtrans-62.4-43.4175.9-173.70000112.3K182 A183 V184 L188 M189 H190K182-S186 WeakPolarHBondContact O-CB 3.25Å; K182-S186 PolarHBondContact O-N 2.79Å; A183-S186 PolarHBondContact O-N 3.21Å; V184-S186 VanDerWaalsContact C-N 3.32Å; V184-S186 PolarHBondContact O-N 3.42Å; S186-L188 VanDerWaalsContact C-N 3.32Å; S186-L188 PolarHBondContact O-N 3.31Å; S186-M189 PolarHBondContact O-N 3.02Å; S186-H190 PolarHBondContact O-N 3.26Å; S186-H190 PolarHBondContact O-ND1 2.98Å
187D78.7Confident78.1Confident61 Ų6189.9 Ų89.933%0.32651%0.506SS..Hα-helixtrans-61.7-41.5176.1-70.9-22.4000110.5A183 V184 M189 H190 A191 V198 K202A183-D187 VanDerWaalsContact O-CG 3.24Å; A183-D187 PolarHBondContact O-N 2.86Å; V184-D187 PolarHBondContact O-N 3.39Å; D187-M189 PolarHBondContact O-N 3.05Å; D187-H190 PolarHBondContact O-N 3.39Å; D187-A191 WeakPolarHBondContact O-CB 3.18Å; D187-A191 PolarHBondContact O-N 3.15Å; D187-V198 HydrophobicContact CB-CG1 3.97Å; D187-K202 IonicContact OD2-NZ 3.18Å; D187-K202 PolarHBondContact OD2-NZ 3.41Å
188L77.2Confident78.2Confident67 Ų6784.6 Ų84.635%0.35148%0.479SS..Hα-helixtrans-66.8-33177-75.5167.7000113.4V184 I185 S186 A195 V198 V199V184-L188 HydrophobicContact CG1-CD1 3.98Å; V184-L188 HydrophobicContact CG1-CG 4.47Å; V184-L188 WeakPolarHBondContact O-CB 3.47Å; V184-L188 WeakPolarHBondContact O-CG 3.31Å; V184-L188 PolarHBondContact O-N 2.99Å; I185-L188 PolarHBondContact O-N 3.39Å; S186-L188 VanDerWaalsContact C-N 3.32Å; S186-L188 PolarHBondContact O-N 3.31Å; L188-A195 HydrophobicContact CD2-CB 3.7Å; L188-V198 HydrophobicContact CD2-CB 3.85Å; L188-V198 HydrophobicContact CD2-CG1 3.94Å; L188-V198 HydrophobicContact CD2-CG2 4.39Å; L188-V198 HydrophobicContact CG-CG1 4.19Å; L188-V199 HydrophobicContact CD2-CG2 4.41Å
189M76.5Confident78.3Confident144 Ų14481.9 Ų81.971%0.70947%0.47SS*.Hα-helixtrans-71.3-32.3178.1-79.6-178.261.500113.2I185 S186 D187I185-M189 HydrophobicContact CG2-SD 4.36Å; I185-M189 WeakPolarHBondContact O-CG 3.23Å; I185-M189 PolarHBondContact O-N 3.08Å; S186-M189 PolarHBondContact O-N 3.02Å; D187-M189 PolarHBondContact O-N 3.05Å
190H80.7Confident78.2Confident137 Ų13785.1 Ų85.163%0.63448%0.476SS*.Hα-helixtrans-111.7-6.9-170.4-58.388.3000113.9S186 D187S186-H190 PolarHBondContact O-N 3.26Å; S186-H190 PolarHBondContact O-ND1 2.98Å; D187-H190 PolarHBondContact O-N 3.39Å
191A74.9Confident78.2Confident41 Ų4184.1 Ų84.134%0.33947%0.471SS..  trans-84.8125.417700000111.1D187 A193 V198D187-A191 WeakPolarHBondContact O-CB 3.18Å; D187-A191 PolarHBondContact O-N 3.15Å; A191-A193 PolarHBondContact O-N 3.47Å; A191-A193 VanDerWaalsContact O-N 3.15Å; A191-V198 HydrophobicContact CB-CG2 3.62Å
192D80.6Confident78.1Confident177 Ų17783.9 Ų83.995%0.94746%0.461SS*.SBendtrans-70-2169.3-64.5-40000113.1
193A78.6Confident77.9Confident40 Ų4084.5 Ų84.533%0.33146%0.464SS..SBendtrans-86147.4178.900000111.3A191 A195 V198A191-A193 PolarHBondContact O-N 3.47Å; A191-A193 VanDerWaalsContact O-N 3.15Å; A193-A195 PolarHBondContact O-N 3.25Å; A193-V198 HydrophobicContact CB-CG2 4.06Å
194P81Confident77.5Confident94 Ų9489.4 Ų89.461%0.6148%0.475SS*.  trans-52.6138.1173.8-24.633000111.8E196 L197 V198P194-E196 PolarHBondContact O-N 2.94Å; P194-L197 WeakPolarHBondContact O-CA 3.44Å; P194-L197 WeakPolarHBondContact O-CB 3.43Å; P194-L197 PolarHBondContact O-N 2.86Å; P194-V198 PolarHBondContact O-N 3.25Å
195A78.9Confident77.3Confident62 Ų6295 Ų9551%0.51249%0.491SS..Hα-helixtrans-50.5-38.2-174.500000113.6L188 A193 L197 V198 V199L188-A195 HydrophobicContact CD2-CB 3.7Å; A193-A195 PolarHBondContact O-N 3.25Å; A195-L197 VanDerWaalsContact C-N 3.31Å; A195-L197 PolarHBondContact O-N 3.45Å; A195-V198 PolarHBondContact O-N 3.29Å; A195-V199 WeakPolarHBondContact O-CG2 3.45Å; A195-V199 PolarHBondContact O-N 3.49Å
196E80.2Confident76.9Confident168 Ų16895.1 Ų95.179%0.78549%0.492SS*.Hα-helixtrans-61.6-38.9177.7-168.5162-159.700112.3P194 M200P194-E196 PolarHBondContact O-N 2.94Å; E196-M200 VanDerWaalsContact O-CB 3.26Å; E196-M200 WeakPolarHBondContact O-CB 3.39Å; E196-M200 PolarHBondContact O-N 3.19Å
197L79.5Confident76.3Confident93 Ų9396.1 Ų96.149%0.48750%0.504SS..Hα-helixtrans-70.4-36.6178.2-138.6108.8000111.7P194 A195 M200 N201P194-L197 WeakPolarHBondContact O-CA 3.44Å; P194-L197 WeakPolarHBondContact O-CB 3.43Å; P194-L197 PolarHBondContact O-N 2.86Å; A195-L197 VanDerWaalsContact C-N 3.31Å; A195-L197 PolarHBondContact O-N 3.45Å; L197-M200 PolarHBondContact O-N 3.41Å; L197-N201 VanDerWaalsContact O-CB 3.31Å; L197-N201 WeakPolarHBondContact O-CB 3.41Å; L197-N201 VanDerWaalsContact O-CG 3.3Å; L197-N201 PolarHBondContact O-N 3.05Å; L197-N201 PolarHBondContact O-ND2 3.4Å
198V79.6Confident75.6Confident16 Ų1698.2 Ų98.210%0.09751%0.512CS..Hα-helixtrans-64.8-49176.4-179.60000110.4D187 L188 A191 A193 P194 A195 M200 N201 K202D187-V198 HydrophobicContact CB-CG1 3.97Å; L188-V198 HydrophobicContact CD2-CB 3.85Å; L188-V198 HydrophobicContact CD2-CG1 3.94Å; L188-V198 HydrophobicContact CD2-CG2 4.39Å; L188-V198 HydrophobicContact CG-CG1 4.19Å; A191-V198 HydrophobicContact CB-CG2 3.62Å; A193-V198 HydrophobicContact CB-CG2 4.06Å; P194-V198 PolarHBondContact O-N 3.25Å; A195-V198 PolarHBondContact O-N 3.29Å; V198-M200 VanDerWaalsContact C-N 3.33Å; V198-M200 PolarHBondContact O-N 2.82Å; V198-N201 PolarHBondContact O-N 2.7Å; V198-K202 PolarHBondContact O-N 3.15Å
199V78.7Confident74.9Confident56 Ų56101.2 Ų101.234%0.33953%0.528SS..Hα-helixtrans-62.3-41.2176.41750000110.9L188 A195 K202 K203L188-V199 HydrophobicContact CD2-CG2 4.41Å; A195-V199 WeakPolarHBondContact O-CG2 3.45Å; A195-V199 PolarHBondContact O-N 3.49Å; V199-K202 PolarHBondContact O-N 3.26Å; V199-K203 PolarHBondContact O-N 2.97Å
200M77.2Confident73.5Confident127 Ų12796.3 Ų96.363%0.62651%0.514SS*.Hα-helixtrans-67.8-42.2179.5-154.1177.899.400112E196 L197 V198 K202 K203 R204E196-M200 VanDerWaalsContact O-CB 3.26Å; E196-M200 WeakPolarHBondContact O-CB 3.39Å; E196-M200 PolarHBondContact O-N 3.19Å; L197-M200 PolarHBondContact O-N 3.41Å; V198-M200 VanDerWaalsContact C-N 3.33Å; V198-M200 PolarHBondContact O-N 2.82Å; M200-K202 VanDerWaalsContact C-N 3.32Å; M200-K202 PolarHBondContact O-N 3.43Å; M200-K203 PolarHBondContact O-N 2.89Å; M200-R204 WeakPolarHBondContact O-CB 3.21Å; M200-R204 PolarHBondContact O-N 3.3Å
201N77.6Confident71.4Confident66 Ų6696.4 Ų96.435%0.35352%0.524SS..Hα-helixtrans-63.7-36.7174.3-79.4-25.6000112L197 V198 R204 R205L197-N201 VanDerWaalsContact O-CB 3.31Å; L197-N201 WeakPolarHBondContact O-CB 3.41Å; L197-N201 VanDerWaalsContact O-CG 3.3Å; L197-N201 PolarHBondContact O-N 3.05Å; L197-N201 PolarHBondContact O-ND2 3.4Å; V198-N201 PolarHBondContact O-N 2.7Å; N201-R204 PolarHBondContact O-N 2.87Å; N201-R205 WeakPolarHBondContact O-CB 3.23Å; N201-R205 PolarHBondContact O-N 3.01Å
202K72.2Confident69.5Low45 Ų4597.7 Ų97.720%0.19654%0.542CS..Hα-helixtrans-67.7-45.7174.7-161.580.7165-161.10111.8V184 D187 V198 V199 M200 R204 R205 L206V184-K202 HydrophobicContact CG2-CD 4.35Å; V184-K202 HydrophobicContact CG2-CG 3.97Å; D187-K202 IonicContact OD2-NZ 3.18Å; D187-K202 PolarHBondContact OD2-NZ 3.41Å; V198-K202 PolarHBondContact O-N 3.15Å; V199-K202 PolarHBondContact O-N 3.26Å; M200-K202 VanDerWaalsContact C-N 3.32Å; M200-K202 PolarHBondContact O-N 3.43Å; K202-R204 PolarHBondContact O-N 3.38Å; K202-R205 PolarHBondContact O-N 3.26Å; K202-L206 HydrophobicContact CG-CD1 4.32Å; K202-L206 WeakPolarHBondContact O-CB 3.4Å; K202-L206 WeakPolarHBondContact O-CG 3.47Å; K202-L206 PolarHBondContact O-N 2.84Å
203K73.8Confident67.4Low146 Ų14695.7 Ų95.764%0.63554%0.536SS*.Hα-helixtrans-57.1-40.3173.2-78.5-178.1178.7176.20111.4V199 M200 L206 A207V199-K203 PolarHBondContact O-N 2.97Å; M200-K203 PolarHBondContact O-N 2.89Å; K203-L206 PolarHBondContact O-N 3.23Å; K203-A207 WeakPolarHBondContact O-CB 3.35Å; K203-A207 PolarHBondContact O-N 3.17Å
204R73Confident65.2Low140 Ų140101.8 Ų101.853%0.52856%0.557SS.*Hα-helixtrans-66.3-44.5175.8-156.4-174.882.5-154.9-1.4111.8M200 N201 K202 L206 A207 E208M200-R204 WeakPolarHBondContact O-CB 3.21Å; M200-R204 PolarHBondContact O-N 3.3Å; N201-R204 PolarHBondContact O-N 2.87Å; K202-R204 PolarHBondContact O-N 3.38Å; R204-L206 PolarHBondContact O-N 2.99Å; R204-A207 CarbonylContact O-C 3.47Å; R204-A207 WeakPolarHBondContact O-CB 3.48Å; R204-A207 PolarHBondContact O-N 3.02Å; R204-A207 VanDerWaalsContact O-N 3.16Å; R204-E208 WeakPolarHBondContact CD-OE1 3.48Å; R204-E208 HydrophobicContact CG-CG 4.48Å; R204-E208 WeakPolarHBondContact CG-OE1 3.48Å; R204-E208 IonicContact CZ-OE1 3.49Å; R204-E208 IonicContact NE-OE1 2.78Å; R204-E208 PolarHBondContact NE-OE1 2.89Å; R204-E208 IonicContact NH2-OE1 3.62Å; R204-E208 WeakPolarHBondContact O-CB 3.45Å; R204-E208 WeakPolarHBondContact O-CG 3.39Å; R204-E208 PolarHBondContact O-N 3.4Å
205R71.1Confident62.9Low159 Ų159106.1 Ų106.160%0.656%0.563SS**Hα-helixtrans-61.2-40.7174-101.1178.5141.1173.9-5.8113N201 K202 A207 E208 N209N201-R205 WeakPolarHBondContact O-CB 3.23Å; N201-R205 PolarHBondContact O-N 3.01Å; K202-R205 PolarHBondContact O-N 3.26Å; R205-A207 VanDerWaalsContact C-N 3.3Å; R205-E208 PolarHBondContact O-N 2.77Å; R205-N209 WeakPolarHBondContact O-CB 3.37Å; R205-N209 PolarHBondContact O-N 3.31Å
206L67Low60.9Low102 Ų102108.3 Ų108.353%0.53457%0.569SS.*Hα-helixtrans-65.6-35.5174.8-72.5168.1000111.3K202 K203 R204 G210K202-L206 HydrophobicContact CG-CD1 4.32Å; K202-L206 WeakPolarHBondContact O-CB 3.4Å; K202-L206 WeakPolarHBondContact O-CG 3.47Å; K202-L206 PolarHBondContact O-N 2.84Å; K203-L206 PolarHBondContact O-N 3.23Å; R204-L206 PolarHBondContact O-N 2.99Å; L206-G210 WeakPolarHBondContact O-CA 3.29Å; L206-G210 PolarHBondContact O-N 3.13Å
207A64.6Low58.7Low77 Ų77104 Ų10464%0.63656%0.556SS**Hα-helixtrans-72.8-39.3174.300000112.8K203 R204 R205 G210K203-A207 WeakPolarHBondContact O-CB 3.35Å; K203-A207 PolarHBondContact O-N 3.17Å; R204-A207 CarbonylContact O-C 3.47Å; R204-A207 WeakPolarHBondContact O-CB 3.48Å; R204-A207 PolarHBondContact O-N 3.02Å; R204-A207 VanDerWaalsContact O-N 3.16Å; R205-A207 VanDerWaalsContact C-N 3.3Å; A207-G210 PolarHBondContact O-N 3.29Å
208E64.5Low56.8Low106 Ų106109 Ų10950%0.49557%0.573SS.*Hα-helixtrans-72.5-40.2178.6-75.1170.3-172.600112R204 R205 G210R204-E208 WeakPolarHBondContact CD-OE1 3.48Å; R204-E208 HydrophobicContact CG-CG 4.48Å; R204-E208 WeakPolarHBondContact CG-OE1 3.48Å; R204-E208 IonicContact CZ-OE1 3.49Å; R204-E208 IonicContact NE-OE1 2.78Å; R204-E208 PolarHBondContact NE-OE1 2.89Å; R204-E208 IonicContact NH2-OE1 3.62Å; R204-E208 WeakPolarHBondContact O-CB 3.45Å; R204-E208 WeakPolarHBondContact O-CG 3.39Å; R204-E208 PolarHBondContact O-N 3.4Å; R205-E208 PolarHBondContact O-N 2.77Å; E208-G210 PolarHBondContact O-N 3.35Å
209N63.1Low54.8Low130 Ų130116 Ų11670%0.69560%0.603SS**SBendtrans-78.3-10.2173.9-69.2-6.6000112.5R205 V211R205-N209 WeakPolarHBondContact O-CB 3.37Å; R205-N209 PolarHBondContact O-N 3.31Å; N209-V211 PolarHBondContact O-N 3.36Å
210G47.1Very low52.6Low41 Ų41116.4 Ų116.442%0.42362%0.618SS.*  trans-71.723.4-179.600000114.9L206 A207 E208 G212L206-G210 WeakPolarHBondContact O-CA 3.29Å; L206-G210 PolarHBondContact O-N 3.13Å; A207-G210 PolarHBondContact O-N 3.29Å; E208-G210 PolarHBondContact O-N 3.35Å; G210-G212 PolarHBondContact O-N 2.84Å
211V36.4Very low50.9Low138 Ų138122 Ų12284%0.83663%0.632SS**THydrogen-bonded Turntrans-65.5100167-179.10000107.8N209N209-V211 PolarHBondContact O-N 3.36Å
212G34.8Very low49.1Very low69 Ų69124.7 Ų124.771%0.71165%0.645SS**THydrogen-bonded Turntrans99.936.9160.200000116.6G210 E214G210-G212 PolarHBondContact O-N 2.84Å; G212-E214 PolarHBondContact O-N 3.2Å
213V37.2Very low47.4Very low135 Ų135133.5 Ų133.582%0.81868%0.677SS**  trans-76.483.1152.1-171.50000106.3Y215V213-Y215 PolarHBondContact O-N 2.81Å
214E32.1Very low46Very low167 Ų167132.1 Ų132.178%0.7868%0.681SS**  trans-52.4110.8168.4-160.7175-156.900106.4G212 V216G212-E214 PolarHBondContact O-N 3.2Å; E214-V216 PolarHBondContact O-N 2.84Å
215Y32.1Very low44.3Very low186 Ų186130.2 Ų130.273%0.72969%0.689SS**  trans-60.393.3174.8174.8-97.6000106.5V213 P217V213-Y215 PolarHBondContact O-N 2.81Å; Y215-P217 HydrophobicContact CD1-CB 4.18Å; Y215-P217 HydrophobicContact CD1-CG 4Å; Y215-P217 HydrophobicContact CE1-CB 3.72Å; Y215-P217 HydrophobicContact CE1-CG 4.02Å; Y215-P217 WeakPolarHBondContact O-CD 3.26Å; Y215-P217 VanDerWaalsContact O-N 3.1Å
216V36.3Very low43Very low107 Ų107128.3 Ų128.365%0.64870%0.695SS**  trans-69.8103.6167.2-176.40000104E214 K218E214-V216 PolarHBondContact O-N 2.84Å; V216-K218 PolarHBondContact O-N 3.33Å; V216-K218 VanDerWaalsContact O-N 3.15Å
217P34.5Very low41.7Very low77 Ų77132.2 Ų132.250%0.571%0.708SS.*  trans-59.6130-179.3-11.427.1000105.5Y215 K219Y215-P217 HydrophobicContact CD1-CB 4.18Å; Y215-P217 HydrophobicContact CD1-CG 4Å; Y215-P217 HydrophobicContact CE1-CB 3.72Å; Y215-P217 HydrophobicContact CE1-CG 4.02Å; Y215-P217 WeakPolarHBondContact O-CD 3.26Å; Y215-P217 VanDerWaalsContact O-N 3.1Å; P217-K219 VanDerWaalsContact C-N 3.32Å; P217-K219 PolarHBondContact O-N 2.99Å
218K40.1Very low40.5Very low198 Ų198133.9 Ų133.986%0.86171%0.712SS**  trans-39.9102.2171.2-73-178.2176-177.80107V216 G220V216-K218 PolarHBondContact O-N 3.33Å; V216-K218 VanDerWaalsContact O-N 3.15Å; K218-G220 PolarHBondContact O-N 3.27Å
219K36.7Very low39.4Very low165 Ų165136.4 Ų136.472%0.71773%0.728SS**  trans-61.9101.5178.4-80.5-176178175.80103.7P217 R221 I222P217-K219 VanDerWaalsContact C-N 3.32Å; P217-K219 PolarHBondContact O-N 2.99Å; K219-R221 PolarHBondContact O-N 3.43Å; K219-I222 HydrophobicContact CD-CD1 4.48Å
220G33.8Very low38.1Very low64 Ų64136.6 Ų136.666%0.6673%0.734SS**  trans-48.6135.1175.700000107K218 I222K218-G220 PolarHBondContact O-N 3.27Å; G220-I222 PolarHBondContact O-N 3.13Å
221R41.6Very low38.1Very low245 Ų245141.2 Ų141.293%0.92575%0.747SS**  trans-799.5178.2-90.2179.5169.2172-4.1110.2K219 R223K219-R221 PolarHBondContact O-N 3.43Å; R221-R223 PolarHBondContact O-N 2.97Å
222I39.3Very low38.6Very low122 Ų122139.9 Ų139.963%0.62674%0.741SS**  trans-57.6102.2172.1-66.8173000104.1K219 G220 V224K219-I222 HydrophobicContact CD-CD1 4.48Å; G220-I222 PolarHBondContact O-N 3.13Å; I222-V224 VanDerWaalsContact C-N 3.3Å; I222-V224 PolarHBondContact O-N 3.14Å
223R37.1Very low39Very low230 Ų230146.3 Ų146.387%0.86875%0.753SS**  trans-62.5105.1174.5-157.2178.5-171.9-176.51.7102.1R221 S225R221-R223 PolarHBondContact O-N 2.97Å; R223-S225 PolarHBondContact O-N 2.89Å
224V44.2Very low39.3Very low117 Ų117142.7 Ų142.771%0.70974%0.743SS**  trans-57.298.8170.91790000103.9I222 V226I222-V224 VanDerWaalsContact C-N 3.3Å; I222-V224 PolarHBondContact O-N 3.14Å; V224-V226 PolarHBondContact O-N 3.13Å
225S37Very low39.9Very low99 Ų99141 Ų14169%0.69274%0.744SS**  trans-7186.3176.3162.40000104.3R223 K227R223-S225 PolarHBondContact O-N 2.89Å; S225-K227 PolarHBondContact O-N 3.3Å
226V43.9Very low40.5Very low120 Ų120137.1 Ų137.173%0.72774%0.741SS**  trans-52113.9161-1710000104.4V224 P228V224-V226 PolarHBondContact O-N 3.13Å; V226-P228 WeakPolarHBondContact O-CD 3.29Å; V226-P228 VanDerWaalsContact O-N 3.09Å
227K38.5Very low40.8Very low184 Ų184143.4 Ų143.480%0.876%0.755SS**  trans-51.4123.8174.6-90-178.8174.6178.20106.1S225 L229S225-K227 PolarHBondContact O-N 3.3Å; K227-L229 PolarHBondContact O-N 3.34Å
228P41.3Very low41.1Very low111 Ų111145.2 Ų145.272%0.72176%0.764SS**  trans-53.5134.5175.7-20.530.3000108V226 T230V226-P228 WeakPolarHBondContact O-CD 3.29Å; V226-P228 VanDerWaalsContact O-N 3.09Å; P228-T230 PolarHBondContact O-N 2.98Å
229L39.5Very low41.1Very low160 Ų160144.9 Ų144.984%0.83876%0.759SS**  trans-48.2105.1176.2-84.4117.2000109.7K227 I231K227-L229 PolarHBondContact O-N 3.34Å; L229-I231 HydrophobicContact CB-CG1 4.5Å; L229-I231 PolarHBondContact O-N 3.24Å
230T37.6Very low41.4Very low134 Ų134145.9 Ų145.982%0.82276%0.763SS**  trans-7687.1159.72.80000105.8P228 P232P228-T230 PolarHBondContact O-N 2.98Å; T230-P232 VanDerWaalsContact O-CD 3.27Å; T230-P232 WeakPolarHBondContact O-CD 3.4Å; T230-P232 VanDerWaalsContact O-N 3.14Å
231I47.2Very low42.1Very low138 Ų138151 Ų15171%0.70877%0.767SS**  trans-57.1116.1161-54.2173.7000103.9L229 E233L229-I231 HydrophobicContact CB-CG1 4.5Å; L229-I231 PolarHBondContact O-N 3.24Å; I231-E233 PolarHBondContact O-N 2.96Å
232P45.5Very low42Very low109 Ų109147.1 Ų147.171%0.70876%0.76SS**  trans-50.7134.1173.1-20.330.8000106.8T230 G234T230-P232 VanDerWaalsContact O-CD 3.27Å; T230-P232 WeakPolarHBondContact O-CD 3.4Å; T230-P232 VanDerWaalsContact O-N 3.14Å; P232-G234 PolarHBondContact O-N 3.4Å
233E43.8Very low42.1Very low205 Ų205150.1 Ų150.196%0.95877%0.771SS**  trans-6174.1173.8-73.5-179.2159.700108.9I231I231-E233 PolarHBondContact O-N 2.96Å
234G42.4Very low42.5Very low58 Ų58146.1 Ų146.160%0.59877%0.765SS**  trans-65.6136.916400000106.3P232 P236P232-G234 PolarHBondContact O-N 3.4Å; G234-P236 VanDerWaalsContact O-N 3.16Å
235V46.2Very low42.2Very low132 Ų132147.9 Ų147.980%0.877%0.77SS**  trans-39.1122.6179.6-165.40000109Y237V235-Y237 PolarHBondContact O-N 3.47Å
236P44.3Very low42.6Very low104 Ų104148.8 Ų148.868%0.67577%0.773SS**  trans-50.9131.3-176.3-12.813.2000109G234 V238G234-P236 VanDerWaalsContact O-N 3.16Å; P236-V238 PolarHBondContact O-N 3.33Å
237Y43.1Very low42.6Very low239 Ų239150 Ų15094%0.93778%0.776SS**  trans-6291.2174.6-125.6-90.6000107.9V235 Y239V235-Y237 PolarHBondContact O-N 3.47Å; Y237-Y239 PolarHBondContact O-N 2.97Å
238V39.5Very low42.6Very low115 Ų115149.5 Ų149.570%0.69778%0.779SS**  trans-78.4104.3171.7179.80000105.4P236 K240P236-V238 PolarHBondContact O-N 3.33Å; V238-K240 VanDerWaalsContact C-N 3.29Å; V238-K240 PolarHBondContact O-N 2.88Å
239Y41.1Very low42.5Very low191 Ų191148.4 Ų148.475%0.74978%0.779SS**  trans-56.696.9167.8-177.7-96.9000108.5Y237 K241Y237-Y239 PolarHBondContact O-N 2.97Å; Y239-K241 HydrophobicContact CD1-CB 4.33Å; Y239-K241 HydrophobicContact CE1-CB 3.9Å; Y239-K241 HydrophobicContact CE1-CG 4.43Å; Y239-K241 PolarHBondContact O-N 3.35Å
240K42.5Very low42.4Very low187 Ų187146.7 Ų146.781%0.81377%0.769SS**  trans-74.3101.2161.8-86.7-174175.3-179.10105.7V238 Q242V238-K240 VanDerWaalsContact C-N 3.29Å; V238-K240 PolarHBondContact O-N 2.88Å; K240-Q242 PolarHBondContact O-N 3.28Å
241K47.9Very low42.4Very low171 Ų171145.9 Ų145.974%0.74376%0.76SS**  trans-45.6112.5165.6-178.3-178.2-179.9-176.20107.1Y239 E243Y239-K241 HydrophobicContact CD1-CB 4.33Å; Y239-K241 HydrophobicContact CE1-CB 3.9Å; Y239-K241 HydrophobicContact CE1-CG 4.43Å; Y239-K241 PolarHBondContact O-N 3.35Å; K241-E243 PolarHBondContact O-N 3.43Å; K241-E243 VanDerWaalsContact O-N 3.09Å
242Q41.1Very low42.3Very low163 Ų163146.1 Ų146.176%0.76276%0.756SS**  trans-56120.3171.6-82.2174.1-75.500106.9K240 I244K240-Q242 PolarHBondContact O-N 3.28Å; Q242-I244 VanDerWaalsContact C-N 3.3Å; Q242-I244 PolarHBondContact O-N 3.21Å
243E40.3Very low42.5Very low185 Ų185144.6 Ų144.686%0.86475%0.748SS**  trans-62.4104159.9-74.4-178.8167.300105.1K241 L245K241-E243 PolarHBondContact O-N 3.43Å; K241-E243 VanDerWaalsContact O-N 3.09Å; E243-L245 VanDerWaalsContact C-N 3.28Å; E243-L245 PolarHBondContact O-N 3.07Å
244I45.2Very low42.5Very low146 Ų146137.7 Ų137.775%0.74973%0.726SS**  trans-59.2102.1169.8-59.3171.2000104.4Q242 P246Q242-I244 VanDerWaalsContact C-N 3.3Å; Q242-I244 PolarHBondContact O-N 3.21Å; I244-P246 VanDerWaalsContact O-N 3.16Å
245L39Very low43Very low154 Ų154139.7 Ų139.781%0.80672%0.723SS**  trans-52.4120.8166.6-87.4154.9000105.7E243 D247E243-L245 VanDerWaalsContact C-N 3.28Å; E243-L245 PolarHBondContact O-N 3.07Å; L245-D247 PolarHBondContact O-N 3.36Å; L245-D247 VanDerWaalsContact O-N 3.07Å
246P44.1Very low43.3Very low118 Ų118141 Ų14177%0.76672%0.72SS**  trans-57121.9-173.4-5.69.8000108.4I244 M248I244-P246 VanDerWaalsContact O-N 3.16Å; P246-M248 PolarHBondContact O-N 3.28Å; P246-M248 VanDerWaalsContact O-N 3.14Å
247D44.4Very low43.7Very low145 Ų145140.4 Ų140.478%0.77572%0.715SS**  trans10.790.1167.4-61.4-28.8000112.8L245 A249L245-D247 PolarHBondContact O-N 3.36Å; L245-D247 VanDerWaalsContact O-N 3.07Å; D247-A249 PolarHBondContact O-N 2.82Å
248M37.7Very low44.1Very low175 Ų175133 Ų13386%0.86269%0.694SS**  trans-56.898141.4-83.3-173.463.400103.8P246 I250P246-M248 PolarHBondContact O-N 3.28Å; P246-M248 VanDerWaalsContact O-N 3.14Å; M248-I250 PolarHBondContact O-N 3.21Å
249A40.3Very low44.7Very low88 Ų88131.6 Ų131.673%0.72768%0.683SS**  trans-54.193.5171.500000105.5D247 D251D247-A249 PolarHBondContact O-N 2.82Å; A249-D251 PolarHBondContact O-N 3.42Å
250I36.7Very low45.1Very low124 Ų124128.2 Ų128.264%0.63667%0.674SS**  trans-61.6101.7163.1-65.1172.7000101.8M248 F252M248-I250 PolarHBondContact O-N 3.21Å; I250-F252 VanDerWaalsContact C-N 3.27Å; I250-F252 HydrophobicContact CB-CE2 4.19Å; I250-F252 HydrophobicContact CB-CZ 4.26Å; I250-F252 HydrophobicContact CG2-CD1 4.48Å; I250-F252 HydrophobicContact CG2-CE1 4.15Å; I250-F252 HydrophobicContact CG2-CE2 4.31Å; I250-F252 HydrophobicContact CG2-CZ 4.06Å; I250-F252 WeakPolarHBondContact O-CD2 3.43Å; I250-F252 WeakPolarHBondContact O-CE2 3.23Å; I250-F252 PolarHBondContact O-N 3.39Å
251D38.9Very low45Very low116 Ų116125.3 Ų125.362%0.6267%0.665SS**  trans-67.393.9-179.9-176.912.7000107.2A249 S253A249-D251 PolarHBondContact O-N 3.42Å; D251-S253 PolarHBondContact O-N 3.1Å; D251-S253 WeakPolarHBondContact OD1-CB 3.41Å; D251-S253 PolarHBondContact OD1-N 3.42Å; D251-S253 PolarHBondContact OD1-OG 2.84Å; D251-S253 PolarHBondContact OD2-OG 3.28Å
252F45.2Very low45.1Very low144 Ų144121 Ų12163%0.63266%0.655SS**G310 helixtrans-67.18.9173.4-64.5-80.6000112.2I250 A254 D255I250-F252 VanDerWaalsContact C-N 3.27Å; I250-F252 HydrophobicContact CB-CE2 4.19Å; I250-F252 HydrophobicContact CB-CZ 4.26Å; I250-F252 HydrophobicContact CG2-CD1 4.48Å; I250-F252 HydrophobicContact CG2-CE1 4.15Å; I250-F252 HydrophobicContact CG2-CE2 4.31Å; I250-F252 HydrophobicContact CG2-CZ 4.06Å; I250-F252 WeakPolarHBondContact O-CD2 3.43Å; I250-F252 WeakPolarHBondContact O-CE2 3.23Å; I250-F252 PolarHBondContact O-N 3.39Å; F252-A254 PolarHBondContact O-N 2.92Å; F252-A254 VanDerWaalsContact O-N 3.14Å; F252-D255 PolarHBondContact O-N 2.94Å; F252-D255 VanDerWaalsContact O-N 3.15Å
253S48.2Very low45.4Very low76 Ų76119.7 Ų119.753%0.53165%0.647SS.*G310 helixtrans-62.2-15.3172.971.70000113.7D251 D255D251-S253 PolarHBondContact O-N 3.1Å; D251-S253 WeakPolarHBondContact OD1-CB 3.41Å; D251-S253 PolarHBondContact OD1-N 3.42Å; D251-S253 PolarHBondContact OD1-OG 2.84Å; D251-S253 PolarHBondContact OD2-OG 3.28Å; S253-D255 VanDerWaalsContact C-N 3.28Å; S253-D255 PolarHBondContact O-N 3.37Å
254A45.1Very low45.6Very low61 Ų61116.8 Ų116.850%0.50464%0.637SS.*G310 helixtrans-78.6-2.2174.300000114.7F252 E256 V257F252-A254 PolarHBondContact O-N 2.92Å; F252-A254 VanDerWaalsContact O-N 3.14Å; A254-E256 PolarHBondContact O-N 3.38Å; A254-V257 PolarHBondContact O-N 3.22Å
255D52.6Low45.3Very low99 Ų99117.2 Ų117.253%0.52964%0.64SS.*Hα-helixtrans-65-17.8174.4-88.4-12.6000113.1F252 S253 V257 V258 D259F252-D255 PolarHBondContact O-N 2.94Å; F252-D255 VanDerWaalsContact O-N 3.15Å; S253-D255 VanDerWaalsContact C-N 3.28Å; S253-D255 PolarHBondContact O-N 3.37Å; D255-V257 PolarHBondContact O-N 3.38Å; D255-V258 PolarHBondContact O-N 2.91Å; D255-D259 WeakPolarHBondContact O-CB 3.38Å; D255-D259 PolarHBondContact O-N 3.42Å
256E53Low45.3Very low159 Ų159112.9 Ų112.974%0.74363%0.627SS**Hα-helixtrans-63.1-31.8170.7-73.1-169.7162.600111.8A254 E260A254-E256 PolarHBondContact O-N 3.38Å; E256-E260 WeakPolarHBondContact O-CB 3.47Å; E256-E260 PolarHBondContact O-N 3.48Å
257V51.9Low45Very low92 Ų92111.9 Ų111.956%0.55862%0.623SS**Hα-helixtrans-74-36.1178.6-1740000111A254 D255 M261A254-V257 PolarHBondContact O-N 3.22Å; D255-V257 PolarHBondContact O-N 3.38Å; V257-M261 VanDerWaalsContact O-CB 3.28Å; V257-M261 WeakPolarHBondContact O-CB 3.32Å; V257-M261 VanDerWaalsContact O-CG 3.3Å; V257-M261 WeakPolarHBondContact O-CG 3.34Å; V257-M261 PolarHBondContact O-N 3.27Å
258V51.3Low44.8Very low83 Ų83110.5 Ų110.550%0.50362%0.622SS.*Hα-helixtrans-71.7-40.1175.9-179.20000110.6D255 E260 M261 C262D255-V258 PolarHBondContact O-N 2.91Å; V258-E260 VanDerWaalsContact C-N 3.35Å; V258-M261 PolarHBondContact O-N 3.34Å; V258-C262 WeakPolarHBondContact O-CB 3.47Å; V258-C262 PolarHBondContact O-N 2.8Å; V258-C262 PolarHBondContact O-SG 3.48Å
259D53Low44.9Very low86 Ų86106.2 Ų106.246%0.4661%0.609SS.*Hα-helixtrans-68.5-35.3176.8-15653.5000111.2D255 K263D255-D259 WeakPolarHBondContact O-CB 3.38Å; D255-D259 PolarHBondContact O-N 3.42Å; D259-K263 WeakPolarHBondContact O-CB 3.26Å; D259-K263 WeakPolarHBondContact O-CD 3.4Å; D259-K263 WeakPolarHBondContact O-CG 3.31Å; D259-K263 PolarHBondContact O-N 2.92Å; D259-K263 WeakPolarHBondContact OD2-CE 2.97Å; D259-K263 IonicContact OD2-NZ 2.67Å; D259-K263 PolarHBondContact OD2-NZ 2.92Å
260E49Very low45Very low121 Ų121110.3 Ų110.357%0.56562%0.618SS**Hα-helixtrans-75.8-34.1174.5-167.6147.2-172.300113E256 V258 K263 N264E256-E260 WeakPolarHBondContact O-CB 3.47Å; E256-E260 PolarHBondContact O-N 3.48Å; V258-E260 VanDerWaalsContact C-N 3.35Å; E260-K263 PolarHBondContact O-N 3.3Å; E260-N264 WeakPolarHBondContact O-CB 3.42Å; E260-N264 VanDerWaalsContact O-CG 3.28Å; E260-N264 PolarHBondContact O-N 3.07Å; E260-N264 PolarHBondContact O-ND2 2.96Å; E260-N264 VanDerWaalsContact O-ND2 3.12Å
261M40.8Very low45.5Very low126 Ų126113.3 Ų113.362%0.62162%0.621SS**Hα-helixtrans-65.5-40.3169.1-81.8-174.7130.800111.8V257 V258 K263 N264 L265V257-M261 VanDerWaalsContact O-CB 3.28Å; V257-M261 WeakPolarHBondContact O-CB 3.32Å; V257-M261 VanDerWaalsContact O-CG 3.3Å; V257-M261 WeakPolarHBondContact O-CG 3.34Å; V257-M261 PolarHBondContact O-N 3.27Å; V258-M261 PolarHBondContact O-N 3.34Å; M261-K263 VanDerWaalsContact C-N 3.33Å; M261-K263 PolarHBondContact O-N 2.98Å; M261-N264 PolarHBondContact O-N 3.23Å; M261-L265 PolarHBondContact O-N 3.39Å
262C50.4Low46.2Very low81 Ų81111.7 Ų111.755%0.54761%0.612SS.*Hα-helixtrans-63.6-38.7173.1-70.60000111.6V258V258-C262 WeakPolarHBondContact O-CB 3.47Å; V258-C262 PolarHBondContact O-N 2.8Å; V258-C262 PolarHBondContact O-SG 3.48Å
263K46.4Very low46.9Very low135 Ų135108.3 Ų108.359%0.58761%0.605SS**Hα-helixtrans-67.4-37.5174.6-76.8163.4177.4154.90112.7D259 E260 M261 A266D259-K263 WeakPolarHBondContact O-CB 3.26Å; D259-K263 WeakPolarHBondContact O-CD 3.4Å; D259-K263 WeakPolarHBondContact O-CG 3.31Å; D259-K263 PolarHBondContact O-N 2.92Å; D259-K263 WeakPolarHBondContact OD2-CE 2.97Å; D259-K263 IonicContact OD2-NZ 2.67Å; D259-K263 PolarHBondContact OD2-NZ 2.92Å; E260-K263 PolarHBondContact O-N 3.3Å; M261-K263 VanDerWaalsContact C-N 3.33Å; M261-K263 PolarHBondContact O-N 2.98Å; K263-A266 PolarHBondContact O-N 3.44Å
264N43.9Very low47.5Very low124 Ų124107 Ų10766%0.66360%0.599SS**Hα-helixtrans-80.6-23-176.6-74.6-34.9000114.2E260 M261 A266E260-N264 WeakPolarHBondContact O-CB 3.42Å; E260-N264 VanDerWaalsContact O-CG 3.28Å; E260-N264 PolarHBondContact O-N 3.07Å; E260-N264 PolarHBondContact O-ND2 2.96Å; E260-N264 VanDerWaalsContact O-ND2 3.12Å; M261-N264 PolarHBondContact O-N 3.23Å; N264-A266 VanDerWaalsContact C-N 3.34Å
265L40.4Very low48.6Very low154 Ų154111.9 Ų111.981%0.80661%0.608SS**Hα-helixtrans-80.2-17172.1-75.4166000113.1M261 S267M261-L265 PolarHBondContact O-N 3.39Å; L265-S267 PolarHBondContact O-N 2.88Å; L265-S267 VanDerWaalsContact O-N 3.15Å
266A38.9Very low49.7Very low64 Ų64112.3 Ų112.353%0.52961%0.611SS.*  trans-87.673.1174.400000111K263 N264 P268K263-A266 PolarHBondContact O-N 3.44Å; N264-A266 VanDerWaalsContact C-N 3.34Å; A266-P268 VanDerWaalsContact O-CD 3.32Å; A266-P268 WeakPolarHBondContact O-CD 3.42Å; A266-P268 VanDerWaalsContact O-N 3.11Å
267S36.3Very low51.3Low97 Ų97105.3 Ų105.368%0.67858%0.578SS**  trans-53.2119.116260.80000108.9L265 S269L265-S267 PolarHBondContact O-N 2.88Å; L265-S267 VanDerWaalsContact O-N 3.15Å; S267-S269 PolarHBondContact O-N 2.93Å
268P40.6Very low53.1Low116 Ų116102.9 Ų102.975%0.75356%0.564SS**  trans-8170.3-169.131.6-33.4000110A266 L270A266-P268 VanDerWaalsContact O-CD 3.32Å; A266-P268 WeakPolarHBondContact O-CD 3.42Å; A266-P268 VanDerWaalsContact O-N 3.11Å; P268-L270 VanDerWaalsContact C-N 3.31Å; P268-L270 PolarHBondContact O-N 2.94Å
269S40.6Very low55.1Low84 Ų8499.7 Ų99.759%0.58754%0.543SS*.  trans-72.699.7149.271.80000105.9S267 R271S267-S269 PolarHBondContact O-N 2.93Å; S269-R271 PolarHBondContact O-N 3.45Å
270L41.3Very low57Low175 Ų175101.8 Ų101.892%0.91655%0.55SS**  trans-51.481.5177-79.5135.4000111P268P268-L270 VanDerWaalsContact C-N 3.31Å; P268-L270 PolarHBondContact O-N 2.94Å
271R46.9Very low59Low186 Ų18699.3 Ų99.370%0.70254%0.54SS*.  trans-89117.9164.1-70.7-171-175.9-171.63.3106.7S269 P273S269-R271 PolarHBondContact O-N 3.45Å; R271-P273 VanDerWaalsContact O-CD 3.23Å; R271-P273 WeakPolarHBondContact O-CD 3.31Å
272D54.5Low61.4Low83 Ų8395.1 Ų95.144%0.44453%0.53SS..  trans-57.2113.1173.7-179.6-2.5000109.1A274 K275D272-A274 PolarHBondContact O-N 3.35Å; D272-A274 VanDerWaalsContact OD1-CB 3.3Å; D272-A274 WeakPolarHBondContact OD1-CB 3.47Å; D272-A274 PolarHBondContact OD1-N 2.71Å; D272-A274 VanDerWaalsContact OD1-N 3.09Å; D272-K275 HydrophobicContact CB-CD 4.34Å; D272-K275 HydrophobicContact CB-CG 4.16Å; D272-K275 WeakPolarHBondContact O-CB 3.4Å; D272-K275 PolarHBondContact O-N 3.41Å
273P59.3Low63.4Low72 Ų7299.1 Ų99.147%0.46854%0.54SS..THydrogen-bonded Turntrans-55.4-24.6-179-25.234.7000113R271 K275 D276 F277 L348R271-P273 VanDerWaalsContact O-CD 3.23Å; R271-P273 WeakPolarHBondContact O-CD 3.31Å; P273-K275 VanDerWaalsContact C-N 3.31Å; P273-K275 PolarHBondContact O-N 3.32Å; P273-D276 PolarHBondContact O-N 3.26Å; P273-F277 PolarHBondContact O-N 3.18Å; P273-L348 HydrophobicContact CB-CD1 3.85Å
274A62.2Low65.5Low49 Ų4996.7 Ų96.741%0.40553%0.53SS..THydrogen-bonded Turntrans-69-26.5176.600000113.1D272 F277 L348D272-A274 PolarHBondContact O-N 3.35Å; D272-A274 VanDerWaalsContact OD1-CB 3.3Å; D272-A274 WeakPolarHBondContact OD1-CB 3.47Å; D272-A274 PolarHBondContact OD1-N 2.71Å; D272-A274 VanDerWaalsContact OD1-N 3.09Å; A274-F277 WeakPolarHBondContact O-CB 3.36Å; A274-F277 PolarHBondContact O-N 3.09Å; A274-L348 HydrophobicContact CB-CD2 4.45Å
275K66.7Low67.7Low163 Ų16392.1 Ų92.171%0.70951%0.506SS*.THydrogen-bonded Turntrans-70.6-35.6177.8-75.1-174.5178.1179.50112.5D272 P273 F277D272-K275 HydrophobicContact CB-CD 4.34Å; D272-K275 HydrophobicContact CB-CG 4.16Å; D272-K275 WeakPolarHBondContact O-CB 3.4Å; D272-K275 PolarHBondContact O-N 3.41Å; P273-K275 VanDerWaalsContact C-N 3.31Å; P273-K275 PolarHBondContact O-N 3.32Å; K275-F277 VanDerWaalsContact C-N 3.32Å
276D76.8Confident69.6Low108 Ų10891.4 Ų91.458%0.57850%0.503SS*.SBendtrans-89.52-179.5-65.2-27.8000112.6P273 P278P273-D276 PolarHBondContact O-N 3.26Å; D276-P278 WeakPolarHBondContact O-CD 3.45Å
277F86.7Confident71.2Confident13 Ų1391.2 Ų91.26%0.05751%0.507CS..  trans-61.3119.7177-168.2-122000110.4P273 A274 K275 Y279 K302 L348 Y355 V357P273-F277 PolarHBondContact O-N 3.18Å; A274-F277 WeakPolarHBondContact O-CB 3.36Å; A274-F277 PolarHBondContact O-N 3.09Å; K275-F277 VanDerWaalsContact C-N 3.32Å; F277-Y279 HydrophobicContact CD1-CD2 4.46Å; F277-Y279 HydrophobicContact CD2-CD2 4.46Å; F277-Y279 HydrophobicContact CE1-CD2 4Å; F277-Y279 HydrophobicContact CE1-CG 4.35Å; F277-Y279 AromaticContact CE2-CD2 3.98Å; F277-Y279 HydrophobicContact CE2-CD2 3.98Å; F277-Y279 AromaticContact CZ-CD2 3.75Å; F277-Y279 HydrophobicContact CZ-CD2 3.75Å; F277-Y279 HydrophobicContact CZ-CG 4.45Å; F277-Y279 PolarHBondContact O-N 3.02Å; F277-K302 PolarHBondContact O-NZ 3.43Å; F277-L348 HydrophobicContact CB-CD2 4.41Å; F277-L348 HydrophobicContact CD2-CB 3.75Å; F277-L348 HydrophobicContact CD2-CD2 4.02Å; F277-L348 HydrophobicContact CD2-CG 4.35Å; F277-L348 HydrophobicContact CE2-CB 3.59Å; F277-L348 HydrophobicContact CE2-CD2 4.5Å; F277-L348 HydrophobicContact CG-CD2 4.2Å; F277-L348 HydrophobicContact CZ-CB 4.38Å; F277-Y355 HydrophobicContact CD1-CD2 4.32Å; F277-Y355 AromaticContact CE1-CD2 3.81Å; F277-Y355 HydrophobicContact CE1-CD2 3.81Å; F277-Y355 AromaticContact CZ-CD2 3.92Å; F277-Y355 HydrophobicContact CZ-CD2 3.92Å; F277-Y355 HydrophobicContact CZ-CG 4.48Å; F277-V357 HydrophobicContact CE2-CG2 4.17Å; F277-V357 HydrophobicContact CZ-CG2 3.56Å
278P89.7Confident73.1Confident41 Ų4187.8 Ų87.827%0.26648%0.48SS..SBendtrans-79.610.9-16730-33.6000114.2D276 K302D276-P278 WeakPolarHBondContact O-CD 3.45Å; P278-K302 WeakPolarHBondContact O-CB 3.41Å; P278-K302 WeakPolarHBondContact O-CG 3.47Å; P278-K302 PolarHBondContact O-N 3.4Å
279Y93.2Very high74.5Confident16 Ų1685.1 Ų85.16%0.06346%0.463CS..EExtended strand (participates in β ladder)trans-118.8144.7179.9-56-84000110.9F277 K300 E301 K302 V308 N346 V357F277-Y279 HydrophobicContact CD1-CD2 4.46Å; F277-Y279 HydrophobicContact CD2-CD2 4.46Å; F277-Y279 HydrophobicContact CE1-CD2 4Å; F277-Y279 HydrophobicContact CE1-CG 4.35Å; F277-Y279 AromaticContact CE2-CD2 3.98Å; F277-Y279 HydrophobicContact CE2-CD2 3.98Å; F277-Y279 AromaticContact CZ-CD2 3.75Å; F277-Y279 HydrophobicContact CZ-CD2 3.75Å; F277-Y279 HydrophobicContact CZ-CG 4.45Å; F277-Y279 PolarHBondContact O-N 3.02Å; Y279-K300 CarbonylContact C-O 3.5Å; Y279-K300 WeakPolarHBondContact CA-O 3.32Å; Y279-E301 HydrophobicContact CD1-CB 3.85Å; Y279-E301 HydrophobicContact CD1-CG 4.21Å; Y279-E301 HydrophobicContact CE1-CB 3.68Å; Y279-E301 HydrophobicContact CE1-CG 3.77Å; Y279-E301 PolarHBondContact OH-OE1 3.49Å; Y279-K302 WeakPolarHBondContact O-CE 3.45Å; Y279-V308 HydrophobicContact CD1-CG2 3.75Å; Y279-V308 HydrophobicContact CE1-CG1 4.4Å; Y279-V308 HydrophobicContact CE1-CG2 4.21Å; Y279-N346 HydrophobicContact CE2-CB 3.66Å; Y279-V357 HydrophobicContact CD1-CG1 3.99Å; Y279-V357 HydrophobicContact CD2-CG1 4.25Å; Y279-V357 HydrophobicContact CD2-CG2 3.76Å; Y279-V357 HydrophobicContact CE1-CG1 3.78Å; Y279-V357 HydrophobicContact CE2-CB 4.25Å; Y279-V357 HydrophobicContact CE2-CG1 4.03Å; Y279-V357 HydrophobicContact CE2-CG2 3.83Å; Y279-V357 HydrophobicContact CG-CG1 4.24Å; Y279-V357 HydrophobicContact CG-CG2 4.31Å
280E92.2Very high75.7Confident130 Ų13087.4 Ų87.461%0.60747%0.469SS*.EExtended strand (participates in β ladder)trans-99.1112.9170.8-173.9176.4-179.100108.5G282 A299 K300 K302E280-G282 PolarHBondContact O-N 2.74Å; E280-A299 WeakPolarHBondContact O-CA 3.33Å; E280-A299 WeakPolarHBondContact O-CB 3.24Å; E280-K300 PolarHBondContact N-O 2.87Å; E280-K300 PolarHBondContact O-N 3.45Å; E280-K302 HydrophobicContact CB-CG 4.41Å
281L91.6Very high77.3Confident68 Ų6883.2 Ų83.236%0.35645%0.451SS..EExtended strand (participates in β ladder)trans-69.1123.2176.1-74.6166.4000109.5H297 V310 Y355L281-H297 HydrophobicContact CD2-CB 4.07Å; L281-V310 HydrophobicContact CD2-CB 3.74Å; L281-V310 HydrophobicContact CD2-CG1 3.85Å; L281-V310 HydrophobicContact CD2-CG2 3.99Å; L281-Y355 HydrophobicContact CD1-CE2 3.89Å
282G90.6Very high79.1Confident39 Ų3976.5 Ų76.540%0.40243%0.427SS..EExtended strand (participates in β ladder)trans-96.2-155.9169.800000112.1E280 H297 S298E280-G282 PolarHBondContact O-N 2.74Å; G282-H297 PolarHBondContact O-ND1 3.29Å; G282-S298 CarbonylContact C-O 3.57Å; G282-S298 WeakPolarHBondContact CA-O 3.37Å; G282-S298 PolarHBondContact N-O 2.95Å
283E91.7Very high80.8Confident165 Ų16573.7 Ų73.777%0.77141%0.412SS*.EExtended strand (participates in β ladder)trans-66147.3-173.8-62179.8170.500112.8H297 S298E283-H297 WeakPolarHBondContact O-CA 3.16Å; E283-S298 PolarHBondContact O-N 3.33Å
284K91.2Very high82.5Confident84 Ų8470.3 Ų70.337%0.36539%0.39SS..EExtended strand (participates in β ladder)trans-63135169.6-172.7-176.3174.2-169.90108D286 D290 L296K284-D286 PolarHBondContact O-N 2.69Å; K284-D290 IonicContact NZ-OD1 3.74Å; K284-D290 PolarHBondContact NZ-OD1 2.92Å; K284-L296 WeakPolarHBondContact CA-O 3.18Å
285V90.3Very high84Confident27 Ų2770.1 Ų70.116%0.16438%0.384CS..  trans-77.8115.8176.4179.30000108.9L296 P363 I366V285-L296 HydrophobicContact CB-CB 4.3Å; V285-L296 HydrophobicContact CB-CD2 3.98Å; V285-L296 HydrophobicContact CB-CG 4Å; V285-L296 HydrophobicContact CG1-CD2 4.14Å; V285-L296 HydrophobicContact CG2-CD2 4.01Å; V285-L296 HydrophobicContact CG2-CG 3.82Å; V285-L296 PolarHBondContact N-O 2.94Å; V285-P363 HydrophobicContact CG1-CG 4.36Å; V285-I366 HydrophobicContact CG1-CD1 4.24Å
286D80.7Confident85.3Confident139 Ų13962.4 Ų62.474%0.74335%0.35SS*.THydrogen-bonded Turntrans-67.7155.3175.7-68.9-33.8000112.1K284 W288 I366K284-D286 PolarHBondContact O-N 2.69Å; D286-W288 VanDerWaalsContact C-N 3.26Å; D286-W288 PolarHBondContact O-N 2.86Å; D286-I366 WeakPolarHBondContact O-CD1 3.32Å
287G72Confident86.2Confident60 Ų6059.2 Ų59.262%0.61933%0.332SS*.THydrogen-bonded Turntrans81.5-1.9-178.800000114.7
288W76.3Confident86.6Confident26 Ų2660 Ų6010%0.09834%0.339CS..SBendtrans-86.6121.3168.4-173.4-107.8000110.4D286 D290 Q292 F294 L296 P363 G409 F412D286-W288 VanDerWaalsContact C-N 3.26Å; D286-W288 PolarHBondContact O-N 2.86Å; W288-D290 PolarHBondContact O-N 3.46Å; W288-Q292 HydrophobicContact CD2-CG 4.46Å; W288-Q292 HydrophobicContact CH2-CG 4.38Å; W288-Q292 HydrophobicContact CZ2-CB 4.06Å; W288-Q292 HydrophobicContact CZ2-CG 3.64Å; W288-F294 PolarHBondContact NE1-O 3Å; W288-L296 HydrophobicContact CG-CB 4.23Å; W288-P363 HydrophobicContact CE3-CB 3.91Å; W288-P363 HydrophobicContact CE3-CG 3.83Å; W288-P363 HydrophobicContact CZ3-CB 4.24Å; W288-P363 HydrophobicContact CZ3-CG 4.47Å; W288-G409 WeakPolarHBondContact CH2-O 3.2Å; W288-F412 HydrophobicContact CE3-CE1 4.25Å; W288-F412 HydrophobicContact CE3-CZ 4.26Å; W288-F412 HydrophobicContact CH2-CE1 4.01Å; W288-F412 AromaticContact CH2-CE2 3.98Å; W288-F412 HydrophobicContact CH2-CE2 3.98Å; W288-F412 AromaticContact CH2-CZ 3.22Å; W288-F412 HydrophobicContact CH2-CZ 3.22Å; W288-F412 AromaticContact CZ2-CZ 3.86Å; W288-F412 HydrophobicContact CZ2-CZ 3.86Å; W288-F412 AromaticContact CZ3-CE1 3.79Å; W288-F412 HydrophobicContact CZ3-CE1 3.79Å; W288-F412 HydrophobicContact CZ3-CE2 4.36Å; W288-F412 AromaticContact CZ3-CZ 3.46Å; W288-F412 HydrophobicContact CZ3-CZ 3.46Å; W288-F412 VanDerWaalsContact CZ3-CZ 3.46Å
289S71Confident86.9Confident59 Ų5958.2 Ų58.241%0.41333%0.328SS..  trans-57.6130.6-172.7175.50000113V291 Q292S289-V291 PolarHBondContact O-N 3.45Å; S289-V291 VanDerWaalsContact O-N 3.09Å; S289-V291 WeakPolarHBondContact OG-CB 3.31Å; S289-V291 WeakPolarHBondContact OG-CG2 3.36Å; S289-V291 PolarHBondContact OG-N 3.25Å; S289-Q292 WeakPolarHBondContact O-CB 3.39Å; S289-Q292 WeakPolarHBondContact O-CG 3.45Å; S289-Q292 PolarHBondContact O-N 3.42Å; S289-Q292 VanDerWaalsContact O-N 3.1Å
290D64.9Low87Confident133 Ų13362.6 Ų62.671%0.71135%0.347SS*.THydrogen-bonded Turntrans-67.3-6.1174.9-67.5-42.9000113.3K284 W288 Q292K284-D290 IonicContact NZ-OD1 3.74Å; K284-D290 PolarHBondContact NZ-OD1 2.92Å; W288-D290 PolarHBondContact O-N 3.46Å; D290-Q292 VanDerWaalsContact C-N 3.27Å
291V75.1Confident87.1Confident87 Ų8758.4 Ų58.453%0.52733%0.328SS..THydrogen-bonded Turntrans-75.9-18.7173.5-173.30000111.5S289 H440S289-V291 PolarHBondContact O-N 3.45Å; S289-V291 VanDerWaalsContact O-N 3.09Å; S289-V291 WeakPolarHBondContact OG-CB 3.31Å; S289-V291 WeakPolarHBondContact OG-CG2 3.36Å; S289-V291 PolarHBondContact OG-N 3.25Å; V291-H440 HydrophobicContact CG1-CB 4.02Å
292Q84.4Confident87.1Confident44 Ų4460.9 Ų60.921%0.20634%0.335CS..SBendtrans-72.2146.3-178.9-61-67.2-8.100111.6W288 S289 D290 F294W288-Q292 HydrophobicContact CD2-CG 4.46Å; W288-Q292 HydrophobicContact CH2-CG 4.38Å; W288-Q292 HydrophobicContact CZ2-CB 4.06Å; W288-Q292 HydrophobicContact CZ2-CG 3.64Å; S289-Q292 WeakPolarHBondContact O-CB 3.39Å; S289-Q292 WeakPolarHBondContact O-CG 3.45Å; S289-Q292 PolarHBondContact O-N 3.42Å; S289-Q292 VanDerWaalsContact O-N 3.1Å; D290-Q292 VanDerWaalsContact C-N 3.27Å; Q292-F294 VanDerWaalsContact C-N 3.29Å; Q292-F294 PolarHBondContact O-N 3.08Å
293I90.9Very high87Confident24 Ų2466.5 Ų66.512%0.12336%0.355CS..SBendtrans-63.7-38.6178.2-72.3174.2000111A313 L318 N322 R325 A326 E425I293-A313 HydrophobicContact CG2-CB 4.32Å; I293-L318 HydrophobicContact CG2-CD1 3.86Å; I293-L318 HydrophobicContact CG2-CD2 4.4Å; I293-N322 HydrophobicContact CD1-CB 4Å; I293-N322 HydrophobicContact CG1-CB 4.21Å; I293-R325 HydrophobicContact CD1-CB 3.63Å; I293-R325 HydrophobicContact CD1-CG 4.45Å; I293-A326 HydrophobicContact CG2-CB 3.79Å; I293-E425 HydrophobicContact CD1-CB 4.38Å; I293-E425 HydrophobicContact CD1-CG 4.1Å
294F94.3Very high86.8Confident2 Ų263.1 Ų63.11%0.00935%0.346CS..SBendtrans-100.6135.2178.2-62.1-84.1000110.8W288 Q292 F311 C312 A313 A326 C329 I354 I356 E425W288-F294 PolarHBondContact NE1-O 3Å; Q292-F294 VanDerWaalsContact C-N 3.29Å; Q292-F294 PolarHBondContact O-N 3.08Å; F294-F311 HydrophobicContact CB-CB 3.9Å; F294-F311 HydrophobicContact CB-CD1 4.14Å; F294-F311 HydrophobicContact CD1-CB 3.93Å; F294-F311 HydrophobicContact CG-CB 4.03Å; F294-C312 WeakPolarHBondContact CA-O 3.31Å; F294-A313 HydrophobicContact CD1-CB 3.56Å; F294-A313 HydrophobicContact CE1-CB 3.55Å; F294-A313 HydrophobicContact CG-CB 4.4Å; F294-A313 HydrophobicContact CZ-CB 4.39Å; F294-A326 HydrophobicContact CE1-CB 4.48Å; F294-A326 HydrophobicContact CE2-CB 4.48Å; F294-A326 HydrophobicContact CZ-CB 3.9Å; F294-C329 HydrophobicContact CE2-CB 3.94Å; F294-C329 HydrophobicContact CZ-CB 4.22Å; F294-I354 HydrophobicContact CE1-CG2 4.13Å; F294-I356 HydrophobicContact CE1-CD1 3.77Å; F294-I356 HydrophobicContact CE1-CG1 4.39Å; F294-I356 HydrophobicContact CE2-CD1 4.39Å; F294-I356 HydrophobicContact CZ-CD1 3.68Å; F294-E425 WeakPolarHBondContact CD2-OE1 3.44Å; F294-E425 HydrophobicContact CE2-CG 4.13Å
295T93.4Very high86.8Confident45 Ų4561 Ų6128%0.27635%0.349SS..EExtended strand (participates in β ladder)trans-84.5143.9160.754.60000109.5F311 C312T295-F311 CarbonylContact O-C 3.07Å; T295-F311 WeakPolarHBondContact O-CA 3.47Å; T295-C312 PolarHBondContact N-O 3.11Å; T295-C312 PolarHBondContact O-N 3.17Å; T295-C312 PolarHBondContact OG1-O 3.21Å
296L95.2Very high86.9Confident0 Ų066 Ų660%037%0.368CS..EExtended strand (participates in β ladder)trans-101.3130.1179.1178.162.8000110.4K284 V285 W288 F311 P363 F412K284-L296 WeakPolarHBondContact CA-O 3.18Å; V285-L296 HydrophobicContact CB-CB 4.3Å; V285-L296 HydrophobicContact CB-CD2 3.98Å; V285-L296 HydrophobicContact CB-CG 4Å; V285-L296 HydrophobicContact CG1-CD2 4.14Å; V285-L296 HydrophobicContact CG2-CD2 4.01Å; V285-L296 HydrophobicContact CG2-CG 3.82Å; V285-L296 PolarHBondContact N-O 2.94Å; W288-L296 HydrophobicContact CG-CB 4.23Å; L296-F311 HydrophobicContact CD1-CD1 4.11Å; L296-F311 HydrophobicContact CD1-CD2 4.32Å; L296-F311 HydrophobicContact CD1-CE1 3.82Å; L296-F311 HydrophobicContact CD1-CE2 4.03Å; L296-F311 HydrophobicContact CD1-CG 4.35Å; L296-F311 HydrophobicContact CD1-CZ 3.79Å; L296-P363 HydrophobicContact CD2-CG 3.77Å; L296-F412 HydrophobicContact CD2-CE1 3.99Å
297H95Very high87.5Confident41 Ų4162.8 Ų62.819%0.1935%0.351CS..EExtended strand (participates in β ladder)trans-121.5140.9175.8-73.1-102.4000111.1L281 G282 E283 V310L281-H297 HydrophobicContact CD2-CB 4.07Å; G282-H297 PolarHBondContact O-ND1 3.29Å; E283-H297 WeakPolarHBondContact O-CA 3.16Å; H297-V310 PolarHBondContact N-O 3.44Å; H297-V310 PolarHBondContact O-N 3.17Å
298S94.5Very high88.7Confident30 Ų3060.2 Ų60.221%0.2132%0.323CS..EExtended strand (participates in β ladder)trans-68.5144.1160.5-67.70000109.1G282 E283 R360G282-S298 CarbonylContact C-O 3.57Å; G282-S298 WeakPolarHBondContact CA-O 3.37Å; G282-S298 PolarHBondContact N-O 2.95Å; E283-S298 PolarHBondContact O-N 3.33Å; S298-R360 PolarHBondContact OG-NH1 3.18Å; S298-R360 PolarHBondContact OG-NH2 3.38Å
299A95.7Very high89.7Confident4 Ų459 Ų593%0.03332%0.319CS..EExtended strand (participates in β ladder)trans-154.6168.4176.400000111.4E280 V308 V310E280-A299 WeakPolarHBondContact O-CA 3.33Å; E280-A299 WeakPolarHBondContact O-CB 3.24Å; A299-V308 HydrophobicContact CB-CG2 3.85Å; A299-V308 PolarHBondContact N-O 3.18Å; A299-V308 PolarHBondContact O-N 2.67Å; A299-V308 VanDerWaalsContact O-O 3.1Å; A299-V310 HydrophobicContact CB-CG2 3.51Å
300K95.4Very high90.9Very high107 Ų10756.1 Ų56.147%0.46530%0.299SS..EExtended strand (participates in β ladder)trans-128.8143174.5-72.5-178.2173.4-179.40111.3Y279 E280 K306 D307Y279-K300 CarbonylContact C-O 3.5Å; Y279-K300 WeakPolarHBondContact CA-O 3.32Å; E280-K300 PolarHBondContact N-O 2.87Å; E280-K300 PolarHBondContact O-N 3.45Å; K300-K306 WeakPolarHBondContact CA-O 3.19Å; K300-D307 WeakPolarHBondContact CE-OD1 3.47Å; K300-D307 WeakPolarHBondContact CG-OD1 3.38Å
301E94.8Very high92.4Very high43 Ų4349.8 Ų49.820%0.20127%0.265CS..EExtended strand (participates in β ladder)trans-72.7124.1169.4-174.5170.2-123.100110.2Y279 L303 T304 G305 K306Y279-E301 HydrophobicContact CD1-CB 3.85Å; Y279-E301 HydrophobicContact CD1-CG 4.21Å; Y279-E301 HydrophobicContact CE1-CB 3.68Å; Y279-E301 HydrophobicContact CE1-CG 3.77Å; Y279-E301 PolarHBondContact OH-OE1 3.49Å; E301-L303 VanDerWaalsContact C-N 3.26Å; E301-L303 PolarHBondContact O-N 3.42Å; E301-T304 WeakPolarHBondContact OE2-CB 3.35Å; E301-T304 VanDerWaalsContact OE2-CG2 3.27Å; E301-T304 WeakPolarHBondContact OE2-CG2 3.46Å; E301-T304 PolarHBondContact OE2-OG1 3.42Å; E301-G305 VanDerWaalsContact O-CA 3.24Å; E301-G305 WeakPolarHBondContact O-CA 3.46Å; E301-G305 PolarHBondContact O-N 2.84Å; E301-K306 HydrophobicContact CB-CB 4.41Å; E301-K306 PolarHBondContact N-O 3.05Å
302K91.4Very high93.4Very high119 Ų11946.2 Ų46.252%0.51724%0.243SC..THydrogen-bonded Turntrans-61-33.8-172.8-69.6173.4178.8166.30113.2F277 P278 Y279 E280F277-K302 PolarHBondContact O-NZ 3.43Å; P278-K302 WeakPolarHBondContact O-CB 3.41Å; P278-K302 WeakPolarHBondContact O-CG 3.47Å; P278-K302 PolarHBondContact O-N 3.4Å; Y279-K302 WeakPolarHBondContact O-CE 3.45Å; E280-K302 HydrophobicContact CB-CG 4.41Å
303L88.1Confident93.8Very high157 Ų15744.1 Ų44.182%0.82223%0.234SC*.THydrogen-bonded Turntrans-78.8-44.9-175.6-78.2159.9000112.9E301E301-L303 VanDerWaalsContact C-N 3.26Å; E301-L303 PolarHBondContact O-N 3.42Å
304T89.2Confident93.9Very high94 Ų9445.4 Ų45.458%0.57724%0.241SC*.THydrogen-bonded Turntrans-102.2-18.4-172.1650000112.9E301 K306E301-T304 WeakPolarHBondContact OE2-CB 3.35Å; E301-T304 VanDerWaalsContact OE2-CG2 3.27Å; E301-T304 WeakPolarHBondContact OE2-CG2 3.46Å; E301-T304 PolarHBondContact OE2-OG1 3.42Å; T304-K306 PolarHBondContact O-N 3.41Å; T304-K306 WeakPolarHBondContact OG1-CB 3.45Å; T304-K306 PolarHBondContact OG1-N 3.01Å; T304-K306 VanDerWaalsContact OG1-N 3.14Å
305G89.4Confident93.9Very high41 Ų4146 Ų4642%0.42324%0.244SC..  trans72.26-169.500000113.8E301 D307E301-G305 VanDerWaalsContact O-CA 3.24Å; E301-G305 WeakPolarHBondContact O-CA 3.46Å; E301-G305 PolarHBondContact O-N 2.84Å; G305-D307 PolarHBondContact O-N 2.9Å
306K92.7Very high93.8Very high130 Ų13052 Ų5257%0.56527%0.267SS*.  trans-62.7130.3-177.5-177.2-179.9177.4-176.90110.8K300 E301 T304K300-K306 WeakPolarHBondContact CA-O 3.19Å; E301-K306 HydrophobicContact CB-CB 4.41Å; E301-K306 PolarHBondContact N-O 3.05Å; T304-K306 PolarHBondContact O-N 3.41Å; T304-K306 WeakPolarHBondContact OG1-CB 3.45Å; T304-K306 PolarHBondContact OG1-N 3.01Å; T304-K306 VanDerWaalsContact OG1-N 3.14Å
307D94.6Very high93.6Very high72 Ų7260.3 Ų60.339%0.38530%0.303SS..EExtended strand (participates in β ladder)trans-68.1132.6173.6-69.7-56.7000110.9K300 G305 R360K300-D307 WeakPolarHBondContact CE-OD1 3.47Å; K300-D307 WeakPolarHBondContact CG-OD1 3.38Å; G305-D307 PolarHBondContact O-N 2.9Å; D307-R360 HydrophobicContact CB-CG 4.49Å
308V96.6Very high93.4Very high6 Ų660 Ų604%0.03630%0.302CS..EExtended strand (participates in β ladder)trans-138.6169.7-179.7-64.10000110.2Y279 A299 V357 T358Y279-V308 HydrophobicContact CD1-CG2 3.75Å; Y279-V308 HydrophobicContact CE1-CG1 4.4Å; Y279-V308 HydrophobicContact CE1-CG2 4.21Å; A299-V308 HydrophobicContact CB-CG2 3.85Å; A299-V308 PolarHBondContact N-O 3.18Å; A299-V308 PolarHBondContact O-N 2.67Å; A299-V308 VanDerWaalsContact O-O 3.1Å; V308-V357 HydrophobicContact CB-CG1 4.05Å; V308-V357 HydrophobicContact CG1-CG1 4.45Å; V308-V357 HydrophobicContact CG2-CG1 3.93Å; V308-T358 WeakPolarHBondContact CB-O 3.47Å
309S97Very high93.3Very high0 Ų061 Ų610%031%0.309CS..EExtended strand (participates in β ladder)trans-114.9139.7171.3-74.90000109.6V357 T358 A361S309-V357 WeakPolarHBondContact O-CA 3.46Å; S309-T358 PolarHBondContact N-O 3.3Å; S309-T358 PolarHBondContact O-N 3.23Å; S309-A361 PolarHBondContact OG-N 3.48Å; S309-A361 PolarHBondContact OG-O 3.27Å; S309-A361 VanDerWaalsContact OG-O 3.1Å
310V96.7Very high93Very high0 Ų066.2 Ų66.20%034%0.343CS..EExtended strand (participates in β ladder)trans-124.1120.2178.3-170.50000110.4L281 H297 A299 Y355 I356 V357L281-V310 HydrophobicContact CD2-CB 3.74Å; L281-V310 HydrophobicContact CD2-CG1 3.85Å; L281-V310 HydrophobicContact CD2-CG2 3.99Å; H297-V310 PolarHBondContact N-O 3.44Å; H297-V310 PolarHBondContact O-N 3.17Å; A299-V310 HydrophobicContact CB-CG2 3.51Å; V310-Y355 HydrophobicContact CG1-CG 4.27Å; V310-I356 CarbonylContact C-O 3.41Å; V310-I356 WeakPolarHBondContact CA-O 3.41Å; V310-V357 HydrophobicContact CG1-CG2 4.36Å; V310-V357 HydrophobicContact CG2-CG1 4.26Å; V310-V357 HydrophobicContact CG2-CG2 4.14Å
311F96.4Very high92.7Very high0 Ų066.8 Ų66.80%035%0.347CS..EExtended strand (participates in β ladder)trans-90.6118173.5-64.3-93.7000109.2F294 T295 L296 L342 Y355 I356 T358 F412 F422F294-F311 HydrophobicContact CB-CB 3.9Å; F294-F311 HydrophobicContact CB-CD1 4.14Å; F294-F311 HydrophobicContact CD1-CB 3.93Å; F294-F311 HydrophobicContact CG-CB 4.03Å; T295-F311 CarbonylContact O-C 3.07Å; T295-F311 WeakPolarHBondContact O-CA 3.47Å; L296-F311 HydrophobicContact CD1-CD1 4.11Å; L296-F311 HydrophobicContact CD1-CD2 4.32Å; L296-F311 HydrophobicContact CD1-CE1 3.82Å; L296-F311 HydrophobicContact CD1-CE2 4.03Å; L296-F311 HydrophobicContact CD1-CG 4.35Å; L296-F311 HydrophobicContact CD1-CZ 3.79Å; F311-L342 HydrophobicContact CE2-CD2 3.63Å; F311-L342 HydrophobicContact CZ-CD2 3.72Å; F311-Y355 CarbonylContact O-C 3.46Å; F311-Y355 VanDerWaalsContact O-CA 3.31Å; F311-Y355 WeakPolarHBondContact O-CA 3.48Å; F311-I356 HydrophobicContact CB-CB 4.18Å; F311-I356 PolarHBondContact N-O 3.44Å; F311-I356 PolarHBondContact O-N 3.08Å; F311-T358 HydrophobicContact CD2-CG2 4.07Å; F311-T358 HydrophobicContact CE2-CG2 3.88Å; F311-F412 AromaticContact CE1-CE1 3.8Å; F311-F412 HydrophobicContact CE1-CE1 3.8Å; F311-F412 HydrophobicContact CE1-CE2 4.08Å; F311-F412 AromaticContact CE1-CZ 3.43Å; F311-F412 HydrophobicContact CE1-CZ 3.43Å; F311-F412 VanDerWaalsContact CE1-CZ 3.43Å; F311-F412 HydrophobicContact CZ-CD1 4.24Å; F311-F412 HydrophobicContact CZ-CD2 4.48Å; F311-F412 AromaticContact CZ-CE1 3.78Å; F311-F412 HydrophobicContact CZ-CE1 3.78Å; F311-F412 HydrophobicContact CZ-CE2 4.06Å; F311-F412 AromaticContact CZ-CZ 3.66Å; F311-F412 HydrophobicContact CZ-CZ 3.66Å; F311-F422 HydrophobicContact CD1-CD1 4.35Å; F311-F422 AromaticContact CD1-CE1 3.71Å; F311-F422 HydrophobicContact CD1-CE1 3.71Å; F311-F422 HydrophobicContact CD1-CZ 4.35Å; F311-F422 HydrophobicContact CD2-CE1 4.38Å; F311-F422 HydrophobicContact CD2-CZ 4.33Å; F311-F422 AromaticContact CE1-CD1 3.91Å; F311-F422 HydrophobicContact CE1-CD1 3.91Å; F311-F422 AromaticContact CE1-CE1 3.74Å; F311-F422 HydrophobicContact CE1-CE1 3.74Å; F311-F422 HydrophobicContact CE2-CE1 4.42Å; F311-F422 HydrophobicContact CG-CE1 4.04Å; F311-F422 HydrophobicContact CG-CZ 4.21Å; F311-F422 HydrophobicContact CZ-CD1 4.07Å; F311-F422 HydrophobicContact CZ-CE1 4.1Å
312C94.8Very high92.6Very high11 Ų1166.9 Ų66.97%0.07435%0.349CS..EExtended strand (participates in β ladder)trans-115.4119.4-172.2-57.20000111.1F294 T295 Y355F294-C312 WeakPolarHBondContact CA-O 3.31Å; T295-C312 PolarHBondContact N-O 3.11Å; T295-C312 PolarHBondContact O-N 3.17Å; T295-C312 PolarHBondContact OG1-O 3.21Å; C312-Y355 HydrophobicContact CB-CD1 3.76Å; C312-Y355 HydrophobicContact CB-CE1 3.73Å; C312-Y355 VanDerWaalsContact SG-CD1 3.54Å
313A94.6Very high92.7Very high1 Ų163.3 Ų63.31%0.00834%0.335CS..EExtended strand (participates in β ladder)trans-110.2123.817200000110.2I293 F294 L318 A326 V353 I354I293-A313 HydrophobicContact CG2-CB 4.32Å; F294-A313 HydrophobicContact CD1-CB 3.56Å; F294-A313 HydrophobicContact CE1-CB 3.55Å; F294-A313 HydrophobicContact CG-CB 4.4Å; F294-A313 HydrophobicContact CZ-CB 4.39Å; A313-L318 HydrophobicContact CB-CD1 4.03Å; A313-A326 HydrophobicContact CB-CB 4.4Å; A313-V353 VanDerWaalsContact O-CA 3.27Å; A313-V353 WeakPolarHBondContact O-CA 3.38Å; A313-I354 HydrophobicContact CB-CB 4.33Å; A313-I354 PolarHBondContact N-O 3.35Å; A313-I354 PolarHBondContact O-N 3.43Å
314D93.2Very high93Very high50 Ų5059.9 Ų59.927%0.26732%0.317SS..EExtended strand (participates in β ladder)trans-90.6101.3174.5-177-14.8000109.4K316 K317 L318D314-K316 PolarHBondContact O-N 3.46Å; D314-K316 VanDerWaalsContact O-N 3.16Å; D314-K316 WeakPolarHBondContact OD1-CB 3.41Å; D314-K316 PolarHBondContact OD1-N 3.02Å; D314-K316 VanDerWaalsContact OD1-N 3.16Å; D314-K317 HydrophobicContact CB-CB 4.42Å; D314-K317 HydrophobicContact CB-CD 4.21Å; D314-K317 HydrophobicContact CB-CG 4.4Å; D314-K317 PolarHBondContact O-N 3.33Å; D314-K317 VanDerWaalsContact OD2-CD 3.29Å; D314-K317 WeakPolarHBondContact OD2-CD 3.49Å; D314-K317 WeakPolarHBondContact OD2-CE 3.32Å; D314-K317 IonicContact OD2-NZ 3.4Å; D314-K317 PolarHBondContact OD2-NZ 3.29Å; D314-L318 WeakPolarHBondContact O-CG 3.35Å; D314-L318 PolarHBondContact O-N 3.18Å
315L93.1Very high93.2Very high15 Ų1555.8 Ų55.88%0.07929%0.291CS..THydrogen-bonded Turntrans-63.3-24.2-173.4-57.4-175.9000112.5K317 L318 I323 T350 S352 I354L315-K317 VanDerWaalsContact C-N 3.28Å; L315-K317 PolarHBondContact O-N 3.01Å; L315-L318 HydrophobicContact CD2-CD1 4.4Å; L315-L318 PolarHBondContact O-N 3.03Å; L315-I323 HydrophobicContact CD2-CG1 4.3Å; L315-I323 HydrophobicContact CD2-CG2 4.31Å; L315-T350 WeakPolarHBondContact CD1-O 3.48Å; L315-S352 WeakPolarHBondContact CB-O 3.4Å; L315-S352 PolarHBondContact N-O 2.81Å; L315-I354 HydrophobicContact CD1-CD1 4.48Å; L315-I354 HydrophobicContact CD1-CG1 4.21Å; L315-I354 HydrophobicContact CD2-CD1 3.83Å; L315-I354 HydrophobicContact CD2-CG1 3.99Å; L315-I354 HydrophobicContact CG-CG1 4.39Å
316K91.8Very high93.5Very high172 Ų17253.9 Ų53.975%0.74827%0.271SS*.THydrogen-bonded Turntrans-73.5-21178.6-63.2178.1178.4172.90112.7D314D314-K316 PolarHBondContact O-N 3.46Å; D314-K316 VanDerWaalsContact O-N 3.16Å; D314-K316 WeakPolarHBondContact OD1-CB 3.41Å; D314-K316 PolarHBondContact OD1-N 3.02Å; D314-K316 VanDerWaalsContact OD1-N 3.16Å
317K90.7Very high93.6Very high173 Ų17351.5 Ų51.575%0.75226%0.261SS*.THydrogen-bonded Turntrans-97-9.9179.1-67179.6-176.2134.60113.4D314 L315D314-K317 HydrophobicContact CB-CB 4.42Å; D314-K317 HydrophobicContact CB-CD 4.21Å; D314-K317 HydrophobicContact CB-CG 4.4Å; D314-K317 PolarHBondContact O-N 3.33Å; D314-K317 VanDerWaalsContact OD2-CD 3.29Å; D314-K317 WeakPolarHBondContact OD2-CD 3.49Å; D314-K317 WeakPolarHBondContact OD2-CE 3.32Å; D314-K317 IonicContact OD2-NZ 3.4Å; D314-K317 PolarHBondContact OD2-NZ 3.29Å; L315-K317 VanDerWaalsContact C-N 3.28Å; L315-K317 PolarHBondContact O-N 3.01Å
318L90.8Very high93.5Very high35 Ų3548.8 Ų48.818%0.18325%0.248CC..SBendtrans-96.1147-174.5-66.3174.7000111.5I293 A313 D314 L315 N322 I323I293-L318 HydrophobicContact CG2-CD1 3.86Å; I293-L318 HydrophobicContact CG2-CD2 4.4Å; A313-L318 HydrophobicContact CB-CD1 4.03Å; D314-L318 WeakPolarHBondContact O-CG 3.35Å; D314-L318 PolarHBondContact O-N 3.18Å; L315-L318 HydrophobicContact CD2-CD1 4.4Å; L315-L318 PolarHBondContact O-N 3.03Å; L318-N322 HydrophobicContact CB-CB 4.06Å; L318-N322 HydrophobicContact CD2-CB 4.07Å; L318-N322 HydrophobicContact CG-CB 4.49Å; L318-I323 HydrophobicContact CB-CG1 3.87Å
319S91.3Very high93.5Very high51 Ų5148.5 Ų48.536%0.35725%0.247SC..  trans-67.4158169.565.50000110.9E321 N322 I323S319-E321 PolarHBondContact O-N 3.48Å; S319-E321 VanDerWaalsContact O-N 3.14Å; S319-N322 PolarHBondContact O-N 3.48Å; S319-N322 PolarHBondContact OG-N 3.45Å; S319-I323 WeakPolarHBondContact O-CG1 3.4Å; S319-I323 PolarHBondContact O-N 3.25Å
320P90.4Very high93.5Very high113 Ų11348.6 Ų48.673%0.73425%0.247SC*.Hα-helixtrans-52.4-37.7177.1-27.935.4000113.6I323 L324P320-I323 PolarHBondContact O-N 2.99Å; P320-L324 PolarHBondContact O-N 3.32Å; P320-L324 VanDerWaalsContact O-N 3.13Å
321E89.6Confident93.4Very high120 Ų12056.3 Ų56.356%0.56128%0.276SS*.Hα-helixtrans-66.7-41.4175.5-62.4-176.8-176.500112.7S319 I323 L324 R325S319-E321 PolarHBondContact O-N 3.48Å; S319-E321 VanDerWaalsContact O-N 3.14Å; E321-I323 VanDerWaalsContact C-N 3.31Å; E321-L324 WeakPolarHBondContact O-CB 3.46Å; E321-L324 PolarHBondContact O-N 3.01Å; E321-R325 WeakPolarHBondContact O-CG 3.3Å; E321-R325 PolarHBondContact O-N 2.84Å; E321-R325 IonicContact OE2-NH1 3.13Å; E321-R325 IonicContact OE2-NH2 3.82Å
322N92.4Very high93.3Very high44 Ų4459.3 Ų59.324%0.23529%0.287CS..Hα-helixtrans-71.6-28.8178.6-75.5-9.8000112.1I293 L318 S319 R325 A326I293-N322 HydrophobicContact CD1-CB 4Å; I293-N322 HydrophobicContact CG1-CB 4.21Å; L318-N322 HydrophobicContact CB-CB 4.06Å; L318-N322 HydrophobicContact CD2-CB 4.07Å; L318-N322 HydrophobicContact CG-CB 4.49Å; S319-N322 PolarHBondContact O-N 3.48Å; S319-N322 PolarHBondContact OG-N 3.45Å; N322-R325 PolarHBondContact O-N 3.23Å; N322-R325 PolarHBondContact OD1-NH1 2.95Å; N322-A326 WeakPolarHBondContact O-CB 3.41Å; N322-A326 PolarHBondContact O-N 3.46Å
323I93.8Very high93.4Very high45 Ų4558.8 Ų58.823%0.23128%0.284CS..Hα-helixtrans-62.8-45169.2-64.3170000109.9L315 L318 S319 P320 E321 R325 A326 K327L315-I323 HydrophobicContact CD2-CG1 4.3Å; L315-I323 HydrophobicContact CD2-CG2 4.31Å; L318-I323 HydrophobicContact CB-CG1 3.87Å; S319-I323 WeakPolarHBondContact O-CG1 3.4Å; S319-I323 PolarHBondContact O-N 3.25Å; P320-I323 PolarHBondContact O-N 2.99Å; E321-I323 VanDerWaalsContact C-N 3.31Å; I323-R325 VanDerWaalsContact C-N 3.34Å; I323-R325 PolarHBondContact O-N 3.25Å; I323-A326 PolarHBondContact O-N 3.48Å; I323-K327 HydrophobicContact CG2-CD 4.44Å; I323-K327 WeakPolarHBondContact O-CG 3.39Å; I323-K327 PolarHBondContact O-N 2.92Å
324L93Very high93.4Very high84 Ų8462.4 Ų62.444%0.4430%0.299SS..Hα-helixtrans-61.2-42.8176.5-176.563.9000111.8P320 E321 K327 A328 L435P320-L324 PolarHBondContact O-N 3.32Å; P320-L324 VanDerWaalsContact O-N 3.13Å; E321-L324 WeakPolarHBondContact O-CB 3.46Å; E321-L324 PolarHBondContact O-N 3.01Å; L324-K327 PolarHBondContact O-N 3.34Å; L324-A328 WeakPolarHBondContact O-CB 3.39Å; L324-A328 PolarHBondContact O-N 3.4Å; L324-L435 HydrophobicContact CD2-CD1 3.8Å; L324-L435 HydrophobicContact CD2-CD2 4.1Å; L324-L435 HydrophobicContact CG-CD1 4.25Å
325R94.1Very high93.4Very high9 Ų964.7 Ų64.73%0.03432%0.315CS..Hα-helixtrans-62.7-44.4175.1-75-172.6-174.794.18.5112.8I293 E321 N322 I323 K327 A328 C329 E425 N426 L435 P436I293-R325 HydrophobicContact CD1-CB 3.63Å; I293-R325 HydrophobicContact CD1-CG 4.45Å; E321-R325 WeakPolarHBondContact O-CG 3.3Å; E321-R325 PolarHBondContact O-N 2.84Å; E321-R325 IonicContact OE2-NH1 3.13Å; E321-R325 IonicContact OE2-NH2 3.82Å; N322-R325 PolarHBondContact O-N 3.23Å; N322-R325 PolarHBondContact OD1-NH1 2.95Å; I323-R325 VanDerWaalsContact C-N 3.34Å; I323-R325 PolarHBondContact O-N 3.25Å; R325-K327 VanDerWaalsContact C-N 3.35Å; R325-K327 PolarHBondContact O-N 2.9Å; R325-A328 WeakPolarHBondContact O-CB 3.41Å; R325-A328 PolarHBondContact O-N 3.36Å; R325-C329 PolarHBondContact O-N 3.46Å; R325-E425 HydrophobicContact CB-CB 4.07Å; R325-E425 WeakPolarHBondContact CG-O 3.3Å; R325-N426 WeakPolarHBondContact CD-OD1 3.48Å; R325-N426 PolarHBondContact NE-OD1 2.84Å; R325-N426 VanDerWaalsContact NE-OD1 3.16Å; R325-L435 HydrophobicContact CG-CD1 4.37Å; R325-P436 PolarHBondContact NH2-O 3.36Å
326A95.1Very high93.5Very high0 Ų064.5 Ų64.50%031%0.314CS..Hα-helixtrans-59.9-45.5175.900000111.4I293 F294 A313 N322 I323 C329 L330 I354I293-A326 HydrophobicContact CG2-CB 3.79Å; F294-A326 HydrophobicContact CE1-CB 4.48Å; F294-A326 HydrophobicContact CE2-CB 4.48Å; F294-A326 HydrophobicContact CZ-CB 3.9Å; A313-A326 HydrophobicContact CB-CB 4.4Å; N322-A326 WeakPolarHBondContact O-CB 3.41Å; N322-A326 PolarHBondContact O-N 3.46Å; I323-A326 PolarHBondContact O-N 3.48Å; A326-C329 PolarHBondContact O-N 2.98Å; A326-L330 PolarHBondContact O-N 3.11Å; A326-I354 HydrophobicContact CB-CD1 4.09Å
327K95Very high93.7Very high81 Ų8162.2 Ų62.235%0.35230%0.301SS..Hα-helixtrans-65.5-37.4175.6-70.5-172.4177.7-151.40112.4I323 L324 R325 R331 E349 I354I323-K327 HydrophobicContact CG2-CD 4.44Å; I323-K327 WeakPolarHBondContact O-CG 3.39Å; I323-K327 PolarHBondContact O-N 2.92Å; L324-K327 PolarHBondContact O-N 3.34Å; R325-K327 VanDerWaalsContact C-N 3.35Å; R325-K327 PolarHBondContact O-N 2.9Å; K327-R331 WeakPolarHBondContact O-CG 3.4Å; K327-R331 PolarHBondContact O-N 3.3Å; K327-E349 WeakPolarHBondContact CE-OE1 3.37Å; K327-E349 IonicContact NZ-OE1 3.75Å; K327-E349 PolarHBondContact NZ-OE1 3.27Å; K327-I354 HydrophobicContact CG-CD1 3.73Å
328A92.9Very high93.9Very high15 Ų1555.6 Ų55.612%0.12427%0.273CS..Hα-helixtrans-62.2-46.8174.100000111.4L324 R325 L330 R331 R332L324-A328 WeakPolarHBondContact O-CB 3.39Å; L324-A328 PolarHBondContact O-N 3.4Å; R325-A328 WeakPolarHBondContact O-CB 3.41Å; R325-A328 PolarHBondContact O-N 3.36Å; A328-L330 PolarHBondContact O-N 2.83Å; A328-R331 PolarHBondContact O-N 2.8Å; A328-R332 WeakPolarHBondContact O-CG 3.48Å; A328-R332 PolarHBondContact O-N 2.82Å
329C96.4Very high94.1Very high0 Ų058.3 Ų58.30%029%0.292CS..Hα-helixtrans-58-49.5175.8-173.30000111.9F294 R325 A326 R331 R332 I333 F422 E425F294-C329 HydrophobicContact CE2-CB 3.94Å; F294-C329 HydrophobicContact CZ-CB 4.22Å; R325-C329 PolarHBondContact O-N 3.46Å; A326-C329 PolarHBondContact O-N 2.98Å; C329-R331 PolarHBondContact O-N 2.97Å; C329-R332 PolarHBondContact O-N 3.17Å; C329-I333 WeakPolarHBondContact O-CG2 3.32Å; C329-I333 PolarHBondContact O-N 2.86Å; C329-F422 VanDerWaalsContact SG-CZ 3.59Å; C329-E425 HydrophobicContact CB-CG 4.04Å
330L96.9Very high94.4Very high1 Ų156.4 Ų56.41%0.00528%0.278CS..Hα-helixtrans-56.3-47.717717565.4000112A326 A328 R332 K334 S347 E349 I354 I356A326-L330 PolarHBondContact O-N 3.11Å; A328-L330 PolarHBondContact O-N 2.83Å; L330-R332 VanDerWaalsContact C-N 3.32Å; L330-R332 PolarHBondContact O-N 2.82Å; L330-K334 HydrophobicContact CD1-CD 4.17Å; L330-K334 HydrophobicContact CD1-CG 4.39Å; L330-K334 HydrophobicContact CG-CD 4.23Å; L330-K334 WeakPolarHBondContact O-CB 3.31Å; L330-K334 VanDerWaalsContact O-CG 3.25Å; L330-K334 WeakPolarHBondContact O-CG 3.46Å; L330-K334 PolarHBondContact O-N 3.05Å; L330-S347 VanDerWaalsContact CD1-CB 3.48Å; L330-E349 HydrophobicContact CD2-CB 4.2Å; L330-E349 VanDerWaalsContact CD2-OE2 3.29Å; L330-E349 WeakPolarHBondContact CD2-OE2 3.45Å; L330-I354 HydrophobicContact CB-CG2 4.37Å; L330-I354 HydrophobicContact CD1-CG2 4.48Å; L330-I354 HydrophobicContact CD2-CG2 3.95Å; L330-I356 HydrophobicContact CB-CD1 4.22Å; L330-I356 HydrophobicContact CB-CG1 4.48Å; L330-I356 HydrophobicContact CD1-CD1 4.32Å; L330-I356 HydrophobicContact CD1-CG1 3.72Å
331R95.4Very high94.8Very high163 Ų16351.1 Ų51.162%0.61524%0.244SC*.Hα-helixtrans-61.1-41.5178.2-74.1-173.3-61.11702.3111.9K327 A328 C329K327-R331 WeakPolarHBondContact O-CG 3.4Å; K327-R331 PolarHBondContact O-N 3.3Å; A328-R331 PolarHBondContact O-N 2.8Å; C329-R331 PolarHBondContact O-N 2.97Å
332R94.9Very high95.2Very high63 Ų6345.5 Ų45.524%0.23822%0.217CC..Hα-helixtrans-69.6-49.9-177.9-69.6-76.2175.2-136.9-4.8112.3A328 C329 L330 K334 T335 L336 F424 S427 P429A328-R332 WeakPolarHBondContact O-CG 3.48Å; A328-R332 PolarHBondContact O-N 2.82Å; C329-R332 PolarHBondContact O-N 3.17Å; L330-R332 VanDerWaalsContact C-N 3.32Å; L330-R332 PolarHBondContact O-N 2.82Å; R332-K334 PolarHBondContact O-N 3.34Å; R332-T335 PolarHBondContact O-N 3.31Å; R332-T335 PolarHBondContact O-OG1 3.19Å; R332-L336 HydrophobicContact CB-CD1 4.29Å; R332-L336 VanDerWaalsContact O-CG 3.26Å; R332-L336 WeakPolarHBondContact O-CG 3.34Å; R332-L336 PolarHBondContact O-N 2.95Å; R332-F424 HydrophobicContact CB-CB 3.92Å; R332-F424 HydrophobicContact CB-CD1 4.42Å; R332-F424 HydrophobicContact CB-CG 4.19Å; R332-F424 HydrophobicContact CG-CB 4.45Å; R332-S427 WeakPolarHBondContact CG-OG 3.26Å; R332-P429 VanDerWaalsContact NH2-CG 3.32Å
333I96.3Very high95.4Very high0 Ų047.3 Ų47.30%022%0.224CC..Hα-helixtrans-66.4-28.5-177.9-157.869000111.9C329 T335 R337 I341 L342 Y344 I356 F422 F424C329-I333 WeakPolarHBondContact O-CG2 3.32Å; C329-I333 PolarHBondContact O-N 2.86Å; I333-T335 VanDerWaalsContact C-N 3.27Å; I333-T335 PolarHBondContact O-N 3.28Å; I333-R337 PolarHBondContact O-NH1 2.78Å; I333-R337 VanDerWaalsContact O-NH1 3.15Å; I333-I341 HydrophobicContact CD1-CG2 3.86Å; I333-L342 WeakPolarHBondContact CD1-O 3.28Å; I333-Y344 HydrophobicContact CG2-CD2 4.03Å; I333-Y344 WeakPolarHBondContact O-CB 3.5Å; I333-I356 HydrophobicContact CG2-CD1 4.31Å; I333-I356 HydrophobicContact CG2-CG2 3.84Å; I333-F422 HydrophobicContact CB-CE2 4.23Å; I333-F422 HydrophobicContact CD1-CD2 3.75Å; I333-F422 HydrophobicContact CD1-CE2 3.96Å; I333-F422 HydrophobicContact CG1-CD2 4.18Å; I333-F422 HydrophobicContact CG1-CE2 3.87Å; I333-F424 HydrophobicContact CD1-CD2 4.01Å; I333-F424 HydrophobicContact CD1-CE2 3.75Å
334K94.9Very high95.6Very high77 Ų7746.7 Ų46.734%0.33522%0.219SC..Hα-helixtrans-59.9-34.7171.8-84.9176.4169.1174.40113.1L330 R332 R337 Y344 S347L330-K334 HydrophobicContact CD1-CD 4.17Å; L330-K334 HydrophobicContact CD1-CG 4.39Å; L330-K334 HydrophobicContact CG-CD 4.23Å; L330-K334 WeakPolarHBondContact O-CB 3.31Å; L330-K334 VanDerWaalsContact O-CG 3.25Å; L330-K334 WeakPolarHBondContact O-CG 3.46Å; L330-K334 PolarHBondContact O-N 3.05Å; R332-K334 PolarHBondContact O-N 3.34Å; K334-R337 VanDerWaalsContact O-CZ 3.23Å; K334-R337 PolarHBondContact O-NH1 3.15Å; K334-R337 PolarHBondContact O-NH2 2.87Å; K334-Y344 HydrophobicContact CG-CD2 4.39Å; K334-Y344 HydrophobicContact CG-CE1 4.29Å; K334-Y344 HydrophobicContact CG-CE2 3.79Å; K334-S347 WeakPolarHBondContact CE-OG 3.36Å; K334-S347 PolarHBondContact NZ-OG 3.21Å
335T93.4Very high95.7Very high98 Ų9845.1 Ų45.160%0.60122%0.218SC*.Hα-helixtrans-99.2-25.5-173.859.40000114R332 I333 R337R332-T335 PolarHBondContact O-N 3.31Å; R332-T335 PolarHBondContact O-OG1 3.19Å; I333-T335 VanDerWaalsContact C-N 3.27Å; I333-T335 PolarHBondContact O-N 3.28Å; T335-R337 PolarHBondContact O-N 3.09Å
336L95.2Very high95.7Very high10 Ų1047.2 Ų47.25%0.05223%0.23CC..  trans-79.8122.4-176.6-63.6168.3000110.6R332 I341 F394 L395 A399 I401 F424R332-L336 HydrophobicContact CB-CD1 4.29Å; R332-L336 VanDerWaalsContact O-CG 3.26Å; R332-L336 WeakPolarHBondContact O-CG 3.34Å; R332-L336 PolarHBondContact O-N 2.95Å; L336-I341 HydrophobicContact CB-CD1 4.15Å; L336-I341 HydrophobicContact CB-CG2 4.31Å; L336-I341 HydrophobicContact CD1-CD1 4.35Å; L336-F394 HydrophobicContact CD2-CE1 3.99Å; L336-L395 HydrophobicContact CD1-CD2 4Å; L336-L395 HydrophobicContact CD2-CD2 3.91Å; L336-A399 HydrophobicContact CD2-CB 4.21Å; L336-I401 HydrophobicContact CD2-CD1 4.27Å; L336-F424 HydrophobicContact CD1-CD1 3.88Å; L336-F424 HydrophobicContact CD1-CE1 3.39Å; L336-F424 HydrophobicContact CD1-CE2 4.15Å; L336-F424 HydrophobicContact CD1-CG 4.45Å; L336-F424 HydrophobicContact CD1-CZ 3.56Å
337R94.5Very high95.7Very high125 Ų12548.2 Ų48.247%0.47224%0.237SC..  trans-127.2100.3176.1-65.2-66.1178.4-80.2-9.9108.8I333 K334 T335I333-R337 PolarHBondContact O-NH1 2.78Å; I333-R337 VanDerWaalsContact O-NH1 3.15Å; K334-R337 VanDerWaalsContact O-CZ 3.23Å; K334-R337 PolarHBondContact O-NH1 3.15Å; K334-R337 PolarHBondContact O-NH2 2.87Å; T335-R337 PolarHBondContact O-N 3.09Å
338H96.4Very high95.7Very high34 Ų3445.1 Ų45.116%0.15722%0.224CC..  trans-151.7140.9-177.3-175.5-88.8000108.9D340 I341 F394H338-D340 IonicContact CE1-OD2 2.92Å; H338-D340 PolarHBondContact ND1-N 3.2Å; H338-D340 PolarHBondContact O-N 3.24Å; H338-I341 HydrophobicContact CB-CB 4.12Å; H338-I341 HydrophobicContact CB-CD1 3.88Å; H338-I341 HydrophobicContact CB-CG1 3.99Å; H338-I341 PolarHBondContact O-N 3.1Å; H338-I341 VanDerWaalsContact O-N 3.12Å; H338-F394 HydrophobicContact CB-CD1 3.97Å; H338-F394 HydrophobicContact CB-CE1 3.98Å; H338-F394 HydrophobicContact CB-CG 4.45Å; H338-F394 HydrophobicContact CB-CZ 4.49Å; H338-F394 AromaticContact CD2-CD1 3.84Å; H338-F394 AromaticContact CD2-CD2 3.78Å; H338-F394 AromaticContact CD2-CG 3.46Å; H338-F394 VanDerWaalsContact CD2-CG 3.46Å; H338-F394 WeakPolarHBondContact CD2-CG 3.48Å; H338-F394 AromaticContact CG-CD1 3.93Å
339P95.3Very high95.6Very high91 Ų9148.5 Ų48.559%0.59124%0.237SC*.THydrogen-bonded Turntrans-57.5-35.3-177.921.2-33.8000113.3K420P339-K420 WeakPolarHBondContact O-CD 3.49Å; P339-K420 PolarHBondContact O-NZ 2.97Å
340D97.7Very high95.4Very high12 Ų1250 Ų506%0.06425%0.247CC..THydrogen-bonded Turntrans-93.69.3-178.7-57.5-38.4000114.4H338 H387 N390 A391 K420 L421H338-D340 IonicContact CE1-OD2 2.92Å; H338-D340 PolarHBondContact ND1-N 3.2Å; H338-D340 PolarHBondContact O-N 3.24Å; D340-H387 HydrophobicContact CB-CB 4.04Å; D340-H387 VanDerWaalsContact CB-O 3.32Å; D340-H387 WeakPolarHBondContact CB-O 3.38Å; D340-H387 IonicContact OD1-CD2 3.73Å; D340-H387 IonicContact OD1-CE1 3.13Å; D340-H387 IonicContact OD1-CG 3.39Å; D340-H387 VanDerWaalsContact OD1-CG 3.27Å; D340-H387 IonicContact OD1-ND1 2.82Å; D340-H387 PolarHBondContact OD1-ND1 3.45Å; D340-H387 IonicContact OD1-NE2 2.71Å; D340-N390 WeakPolarHBondContact OD2-CB 3.35Å; D340-N390 PolarHBondContact OD2-ND2 3.32Å; D340-A391 HydrophobicContact CB-CB 3.95Å; D340-K420 WeakPolarHBondContact O-CA 3.38Å; D340-L421 PolarHBondContact O-N 3.39Å
341I98.2Very high95Very high2 Ų258 Ų581%0.0129%0.289CS..BIsolated β-bridgetrans-106.9142.4170.5-67.9177.7000108I333 L336 H338 Q343 A391 F394 L395 L421 F424I333-I341 HydrophobicContact CD1-CG2 3.86Å; L336-I341 HydrophobicContact CB-CD1 4.15Å; L336-I341 HydrophobicContact CB-CG2 4.31Å; L336-I341 HydrophobicContact CD1-CD1 4.35Å; H338-I341 HydrophobicContact CB-CB 4.12Å; H338-I341 HydrophobicContact CB-CD1 3.88Å; H338-I341 HydrophobicContact CB-CG1 3.99Å; H338-I341 PolarHBondContact O-N 3.1Å; H338-I341 VanDerWaalsContact O-N 3.12Å; I341-Q343 PolarHBondContact O-N 2.86Å; I341-Q343 VanDerWaalsContact O-N 3.14Å; I341-A391 HydrophobicContact CG1-CB 4.17Å; I341-F394 HydrophobicContact CD1-CD1 3.87Å; I341-F394 HydrophobicContact CD1-CE1 3.96Å; I341-L395 HydrophobicContact CD1-CD2 4.1Å; I341-L395 HydrophobicContact CD1-CG 4.41Å; I341-L421 HydrophobicContact CG1-CB 4.49Å; I341-F424 HydrophobicContact CD1-CZ 4.17Å; I341-F424 HydrophobicContact CG1-CZ 4.41Å; I341-F424 HydrophobicContact CG2-CE2 3.96Å; I341-F424 HydrophobicContact CG2-CZ 3.98Å
342L97.6Very high94.8Very high1 Ų152.1 Ų52.11%0.00527%0.273CS..  trans-58.7120.5-176.6-174.261.5000110.9F311 I333 Y344 T358 E359 A361 F412 K420 L421 F422F311-L342 HydrophobicContact CE2-CD2 3.63Å; F311-L342 HydrophobicContact CZ-CD2 3.72Å; I333-L342 WeakPolarHBondContact CD1-O 3.28Å; L342-Y344 PolarHBondContact O-N 3.16Å; L342-Y344 VanDerWaalsContact O-N 3.11Å; L342-T358 HydrophobicContact CD2-CG2 3.84Å; L342-T358 HydrophobicContact CG-CG2 3.95Å; L342-E359 HydrophobicContact CD1-CG 3.71Å; L342-A361 HydrophobicContact CD1-CB 3.6Å; L342-A361 HydrophobicContact CD2-CB 4.29Å; L342-F412 HydrophobicContact CD1-CB 4.49Å; L342-F412 HydrophobicContact CD2-CD2 4.19Å; L342-F412 HydrophobicContact CD2-CG 4.34Å; L342-K420 HydrophobicContact CB-CB 3.94Å; L342-K420 HydrophobicContact CD1-CB 3.93Å; L342-K420 HydrophobicContact CD1-CG 4.1Å; L342-L421 PolarHBondContact N-O 3.48Å; L342-F422 HydrophobicContact CB-CB 4.15Å; L342-F422 HydrophobicContact CB-CD2 4.3Å; L342-F422 HydrophobicContact CD2-CB 4.04Å; L342-F422 HydrophobicContact CD2-CD2 4.03Å; L342-F422 HydrophobicContact CD2-CG 3.98Å
343Q97.2Very high94.7Very high82 Ų8250.3 Ų50.338%0.38327%0.27SS..  trans-69112.7-169.5-177.661.656.700111.3I341 T358 E359I341-Q343 PolarHBondContact O-N 2.86Å; I341-Q343 VanDerWaalsContact O-N 3.14Å; Q343-T358 CarbonylContact O-C 3.52Å; Q343-T358 WeakPolarHBondContact O-CA 3.39Å; Q343-T358 WeakPolarHBondContact O-CB 3.49Å; Q343-E359 HydrophobicContact CB-CB 4.22Å; Q343-E359 HydrophobicContact CB-CG 4.01Å; Q343-E359 VanDerWaalsContact CB-OE1 3.26Å; Q343-E359 WeakPolarHBondContact CB-OE1 3.44Å; Q343-E359 PolarHBondContact N-OE1 3.23Å; Q343-E359 VanDerWaalsContact N-OE1 3.07Å; Q343-E359 PolarHBondContact O-N 2.87Å
344Y97.5Very high94.7Very high33 Ų3350.3 Ų50.313%0.12927%0.27CS..EExtended strand (participates in β ladder)trans-64.6135.9170.6174.2-95.9000111.1I333 K334 L342 N346 S347 I356I333-Y344 HydrophobicContact CG2-CD2 4.03Å; I333-Y344 WeakPolarHBondContact O-CB 3.5Å; K334-Y344 HydrophobicContact CG-CD2 4.39Å; K334-Y344 HydrophobicContact CG-CE1 4.29Å; K334-Y344 HydrophobicContact CG-CE2 3.79Å; L342-Y344 PolarHBondContact O-N 3.16Å; L342-Y344 VanDerWaalsContact O-N 3.11Å; Y344-N346 VanDerWaalsContact CE2-C 3.43Å; Y344-N346 WeakPolarHBondContact CE2-O 3.37Å; Y344-N346 VanDerWaalsContact CZ-C 3.42Å; Y344-N346 WeakPolarHBondContact OH-CA 3.25Å; Y344-S347 PolarHBondContact OH-N 3.37Å; Y344-S347 PolarHBondContact OH-OG 2.83Å; Y344-I356 HydrophobicContact CD2-CG2 4.24Å
345A94.9Very high94.7Very high50 Ų5048.9 Ų48.941%0.41326%0.262SS..EExtended strand (participates in β ladder)trans-113.7-53.2173.100000111.8V357A345-V357 HydrophobicContact CB-CB 4.46Å; A345-V357 HydrophobicContact CB-CG1 4.23Å; A345-V357 PolarHBondContact N-O 3.41Å
346N94.9Very high94.9Very high54 Ų5444.2 Ų44.229%0.28923%0.234SC..EExtended strand (participates in β ladder)trans-158.9174-176.2-151.9-15.2000111.8Y279 Y344 V357Y279-N346 HydrophobicContact CE2-CB 3.66Å; Y344-N346 VanDerWaalsContact CE2-C 3.43Å; Y344-N346 WeakPolarHBondContact CE2-O 3.37Å; Y344-N346 VanDerWaalsContact CZ-C 3.42Å; Y344-N346 WeakPolarHBondContact OH-CA 3.25Å; N346-V357 HydrophobicContact CB-CB 4.15Å; N346-V357 HydrophobicContact CB-CG2 4.24Å; N346-V357 PolarHBondContact N-O 2.93Å; N346-V357 WeakPolarHBondContact O-CA 3.38Å; N346-V357 WeakPolarHBondContact O-CB 3.31Å; N346-V357 PolarHBondContact O-N 3.25Å
347S94.7Very high95Very high20 Ų2043.8 Ų43.814%0.1423%0.231CC..EExtended strand (participates in β ladder)trans-151.6160.7172.653.40000112.7L330 K334 Y344 Y355L330-S347 VanDerWaalsContact CD1-CB 3.48Å; K334-S347 WeakPolarHBondContact CE-OG 3.36Å; K334-S347 PolarHBondContact NZ-OG 3.21Å; Y344-S347 PolarHBondContact OH-N 3.37Å; Y344-S347 PolarHBondContact OH-OG 2.83Å; S347-Y355 CarbonylContact C-O 3.57Å; S347-Y355 WeakPolarHBondContact CA-O 3.42Å; S347-Y355 WeakPolarHBondContact CB-O 3.44Å
348L93.6Very high95.1Very high17 Ų1737.8 Ų37.89%0.08921%0.209CC..EExtended strand (participates in β ladder)trans-130.2122.7168.6175.967.8000107.8P273 A274 F277 T350 I354 Y355P273-L348 HydrophobicContact CB-CD1 3.85Å; A274-L348 HydrophobicContact CB-CD2 4.45Å; F277-L348 HydrophobicContact CB-CD2 4.41Å; F277-L348 HydrophobicContact CD2-CB 3.75Å; F277-L348 HydrophobicContact CD2-CD2 4.02Å; F277-L348 HydrophobicContact CD2-CG 4.35Å; F277-L348 HydrophobicContact CE2-CB 3.59Å; F277-L348 HydrophobicContact CE2-CD2 4.5Å; F277-L348 HydrophobicContact CG-CD2 4.2Å; F277-L348 HydrophobicContact CZ-CB 4.38Å; L348-T350 HydrophobicContact CD1-CG2 4.18Å; L348-T350 HydrophobicContact CG-CG2 4.19Å; L348-I354 CarbonylContact O-C 3.42Å; L348-I354 WeakPolarHBondContact O-CA 3.21Å; L348-Y355 HydrophobicContact CB-CD2 4.22Å; L348-Y355 HydrophobicContact CB-CG 4.49Å; L348-Y355 HydrophobicContact CD2-CD2 3.82Å; L348-Y355 HydrophobicContact CD2-CE2 4.11Å; L348-Y355 PolarHBondContact N-O 3.34Å; L348-Y355 PolarHBondContact O-N 3.02Å
349E92.5Very high95.1Very high85 Ų8538 Ų3840%0.39721%0.21SC..EExtended strand (participates in β ladder)trans-118.8123.9172.6179.4171.3-174.500108.2K327 L330 I354K327-E349 WeakPolarHBondContact CE-OE1 3.37Å; K327-E349 IonicContact NZ-OE1 3.75Å; K327-E349 PolarHBondContact NZ-OE1 3.27Å; L330-E349 HydrophobicContact CD2-CB 4.2Å; L330-E349 VanDerWaalsContact CD2-OE2 3.29Å; L330-E349 WeakPolarHBondContact CD2-OE2 3.45Å; E349-I354 HydrophobicContact CG-CG1 4.11Å
350T91.2Very high95.1Very high31 Ų3137.1 Ų37.119%0.1920%0.195CC..  trans-129.1174.4172.267.90000108.7L315 L348 S352 V353L315-T350 WeakPolarHBondContact CD1-O 3.48Å; L348-T350 HydrophobicContact CD1-CG2 4.18Å; L348-T350 HydrophobicContact CG-CG2 4.19Å; T350-S352 PolarHBondContact O-N 3.2Å; T350-S352 PolarHBondContact OG1-N 3.11Å; T350-S352 PolarHBondContact OG1-OG 3.44Å; T350-V353 PolarHBondContact N-O 3.11Å; T350-V353 WeakPolarHBondContact OG1-CG2 3.34Å; T350-V353 PolarHBondContact OG1-N 3.43Å; T350-V353 PolarHBondContact OG1-O 3.36Å
351D88.9Confident95Very high169 Ų16936.9 Ų36.990%0.90419%0.194SC*.SBendtrans-62.4-13174.2-61.6-27.2000113.8
352S90.6Very high94.8Very high40 Ų4040.9 Ų40.928%0.2821%0.212SC..SBendtrans-115.7-28.9-174.665.90000114.9L315 T350L315-S352 WeakPolarHBondContact CB-O 3.4Å; L315-S352 PolarHBondContact N-O 2.81Å; T350-S352 PolarHBondContact O-N 3.2Å; T350-S352 PolarHBondContact OG1-N 3.11Å; T350-S352 PolarHBondContact OG1-OG 3.44Å
353V93.3Very high94.7Very high26 Ų2641 Ų4116%0.15821%0.212CC..EExtended strand (participates in β ladder)trans-144.4148.6-174.4-63.80000112A313 T350 Y355A313-V353 VanDerWaalsContact O-CA 3.27Å; A313-V353 WeakPolarHBondContact O-CA 3.38Å; T350-V353 PolarHBondContact N-O 3.11Å; T350-V353 WeakPolarHBondContact OG1-CG2 3.34Å; T350-V353 PolarHBondContact OG1-N 3.43Å; T350-V353 PolarHBondContact OG1-O 3.36Å; V353-Y355 HydrophobicContact CB-CD1 4.42Å; V353-Y355 HydrophobicContact CB-CE1 3.93Å; V353-Y355 HydrophobicContact CG1-CE1 4.36Å; V353-Y355 HydrophobicContact CG2-CE1 4.09Å
354I95.4Very high94.6Very high0 Ų037.1 Ų37.10%019%0.194CC..EExtended strand (participates in β ladder)trans-117.9122.5164.7-65.8173.1000108.5F294 A313 L315 A326 K327 L330 L348 E349 I356F294-I354 HydrophobicContact CE1-CG2 4.13Å; A313-I354 HydrophobicContact CB-CB 4.33Å; A313-I354 PolarHBondContact N-O 3.35Å; A313-I354 PolarHBondContact O-N 3.43Å; L315-I354 HydrophobicContact CD1-CD1 4.48Å; L315-I354 HydrophobicContact CD1-CG1 4.21Å; L315-I354 HydrophobicContact CD2-CD1 3.83Å; L315-I354 HydrophobicContact CD2-CG1 3.99Å; L315-I354 HydrophobicContact CG-CG1 4.39Å; A326-I354 HydrophobicContact CB-CD1 4.09Å; K327-I354 HydrophobicContact CG-CD1 3.73Å; L330-I354 HydrophobicContact CB-CG2 4.37Å; L330-I354 HydrophobicContact CD1-CG2 4.48Å; L330-I354 HydrophobicContact CD2-CG2 3.95Å; L348-I354 CarbonylContact O-C 3.42Å; L348-I354 WeakPolarHBondContact O-CA 3.21Å; E349-I354 HydrophobicContact CG-CG1 4.11Å; I354-I356 HydrophobicContact CG2-CG1 4.24Å
355Y95.6Very high94.4Very high47 Ų4739.6 Ų39.618%0.18421%0.207CC..EExtended strand (participates in β ladder)trans-109.7131168.9-59.6-19.6000110.1F277 L281 V310 F311 C312 S347 L348 V353F277-Y355 HydrophobicContact CD1-CD2 4.32Å; F277-Y355 AromaticContact CE1-CD2 3.81Å; F277-Y355 HydrophobicContact CE1-CD2 3.81Å; F277-Y355 AromaticContact CZ-CD2 3.92Å; F277-Y355 HydrophobicContact CZ-CD2 3.92Å; F277-Y355 HydrophobicContact CZ-CG 4.48Å; L281-Y355 HydrophobicContact CD1-CE2 3.89Å; V310-Y355 HydrophobicContact CG1-CG 4.27Å; F311-Y355 CarbonylContact O-C 3.46Å; F311-Y355 VanDerWaalsContact O-CA 3.31Å; F311-Y355 WeakPolarHBondContact O-CA 3.48Å; C312-Y355 HydrophobicContact CB-CD1 3.76Å; C312-Y355 HydrophobicContact CB-CE1 3.73Å; C312-Y355 VanDerWaalsContact SG-CD1 3.54Å; S347-Y355 CarbonylContact C-O 3.57Å; S347-Y355 WeakPolarHBondContact CA-O 3.42Å; S347-Y355 WeakPolarHBondContact CB-O 3.44Å; L348-Y355 HydrophobicContact CB-CD2 4.22Å; L348-Y355 HydrophobicContact CB-CG 4.49Å; L348-Y355 HydrophobicContact CD2-CD2 3.82Å; L348-Y355 HydrophobicContact CD2-CE2 4.11Å; L348-Y355 PolarHBondContact N-O 3.34Å; L348-Y355 PolarHBondContact O-N 3.02Å; V353-Y355 HydrophobicContact CB-CD1 4.42Å; V353-Y355 HydrophobicContact CB-CE1 3.93Å; V353-Y355 HydrophobicContact CG1-CE1 4.36Å; V353-Y355 HydrophobicContact CG2-CE1 4.09Å
356I97.4Very high94.3Very high0 Ų038.9 Ų38.90%020%0.196CC..EExtended strand (participates in β ladder)trans-116117.8170.5-58.2166.9000107.2F294 V310 F311 L330 I333 Y344 I354 T358 F422F294-I356 HydrophobicContact CE1-CD1 3.77Å; F294-I356 HydrophobicContact CE1-CG1 4.39Å; F294-I356 HydrophobicContact CE2-CD1 4.39Å; F294-I356 HydrophobicContact CZ-CD1 3.68Å; V310-I356 CarbonylContact C-O 3.41Å; V310-I356 WeakPolarHBondContact CA-O 3.41Å; F311-I356 HydrophobicContact CB-CB 4.18Å; F311-I356 PolarHBondContact N-O 3.44Å; F311-I356 PolarHBondContact O-N 3.08Å; L330-I356 HydrophobicContact CB-CD1 4.22Å; L330-I356 HydrophobicContact CB-CG1 4.48Å; L330-I356 HydrophobicContact CD1-CD1 4.32Å; L330-I356 HydrophobicContact CD1-CG1 3.72Å; I333-I356 HydrophobicContact CG2-CD1 4.31Å; I333-I356 HydrophobicContact CG2-CG2 3.84Å; Y344-I356 HydrophobicContact CD2-CG2 4.24Å; I354-I356 HydrophobicContact CG2-CG1 4.24Å; I356-T358 HydrophobicContact CG2-CG2 4.07Å; I356-F422 HydrophobicContact CD1-CZ 4.23Å
357V97.2Very high94.2Very high0 Ų037 Ų370%019%0.185CC..EExtended strand (participates in β ladder)trans-96.9129.6177.4-169.40000108.8F277 Y279 V308 S309 V310 A345 N346F277-V357 HydrophobicContact CE2-CG2 4.17Å; F277-V357 HydrophobicContact CZ-CG2 3.56Å; Y279-V357 HydrophobicContact CD1-CG1 3.99Å; Y279-V357 HydrophobicContact CD2-CG1 4.25Å; Y279-V357 HydrophobicContact CD2-CG2 3.76Å; Y279-V357 HydrophobicContact CE1-CG1 3.78Å; Y279-V357 HydrophobicContact CE2-CB 4.25Å; Y279-V357 HydrophobicContact CE2-CG1 4.03Å; Y279-V357 HydrophobicContact CE2-CG2 3.83Å; Y279-V357 HydrophobicContact CG-CG1 4.24Å; Y279-V357 HydrophobicContact CG-CG2 4.31Å; V308-V357 HydrophobicContact CB-CG1 4.05Å; V308-V357 HydrophobicContact CG1-CG1 4.45Å; V308-V357 HydrophobicContact CG2-CG1 3.93Å; S309-V357 WeakPolarHBondContact O-CA 3.46Å; V310-V357 HydrophobicContact CG1-CG2 4.36Å; V310-V357 HydrophobicContact CG2-CG1 4.26Å; V310-V357 HydrophobicContact CG2-CG2 4.14Å; A345-V357 HydrophobicContact CB-CB 4.46Å; A345-V357 HydrophobicContact CB-CG1 4.23Å; A345-V357 PolarHBondContact N-O 3.41Å; N346-V357 HydrophobicContact CB-CB 4.15Å; N346-V357 HydrophobicContact CB-CG2 4.24Å; N346-V357 PolarHBondContact N-O 2.93Å; N346-V357 WeakPolarHBondContact O-CA 3.38Å; N346-V357 WeakPolarHBondContact O-CB 3.31Å; N346-V357 PolarHBondContact O-N 3.25Å
358T97.5Very high94.2Very high0 Ų036.7 Ų36.70%018%0.181CC..EExtended strand (participates in β ladder)trans-127.6175.3179.666.70000111.4V308 S309 F311 L342 Q343 I356V308-T358 WeakPolarHBondContact CB-O 3.47Å; S309-T358 PolarHBondContact N-O 3.3Å; S309-T358 PolarHBondContact O-N 3.23Å; F311-T358 HydrophobicContact CD2-CG2 4.07Å; F311-T358 HydrophobicContact CE2-CG2 3.88Å; L342-T358 HydrophobicContact CD2-CG2 3.84Å; L342-T358 HydrophobicContact CG-CG2 3.95Å; Q343-T358 CarbonylContact O-C 3.52Å; Q343-T358 WeakPolarHBondContact O-CA 3.39Å; Q343-T358 WeakPolarHBondContact O-CB 3.49Å; I356-T358 HydrophobicContact CG2-CG2 4.07Å
359E96.1Very high94.1Very high39 Ų3939.1 Ų39.118%0.18220%0.195CC..EExtended strand (participates in β ladder)trans-51.3157.3159.269.6-177.2129.900111.3L342 Q343 A361 N414 K420L342-E359 HydrophobicContact CD1-CG 3.71Å; Q343-E359 HydrophobicContact CB-CB 4.22Å; Q343-E359 HydrophobicContact CB-CG 4.01Å; Q343-E359 VanDerWaalsContact CB-OE1 3.26Å; Q343-E359 WeakPolarHBondContact CB-OE1 3.44Å; Q343-E359 PolarHBondContact N-OE1 3.23Å; Q343-E359 VanDerWaalsContact N-OE1 3.07Å; Q343-E359 PolarHBondContact O-N 2.87Å; E359-A361 PolarHBondContact O-N 2.98Å; E359-A361 VanDerWaalsContact O-N 3.16Å; E359-N414 HydrophobicContact CG-CB 4.42Å; E359-N414 VanDerWaalsContact OE2-CB 3.29Å; E359-N414 WeakPolarHBondContact OE2-CB 3.31Å; E359-N414 PolarHBondContact OE2-ND2 2.98Å; E359-K420 WeakPolarHBondContact OE1-CE 3.28Å
360R95.9Very high94.1Very high72 Ų7239.5 Ų39.527%0.27220%0.199SC..  trans-56.7120.8174.6-175.661.5162.5173.50.6109.2S298 D307 N414 D415S298-R360 PolarHBondContact OG-NH1 3.18Å; S298-R360 PolarHBondContact OG-NH2 3.38Å; D307-R360 HydrophobicContact CB-CG 4.49Å; R360-N414 VanDerWaalsContact O-CA 3.31Å; R360-N414 WeakPolarHBondContact O-CA 3.34Å; R360-N414 WeakPolarHBondContact O-CB 3.3Å; R360-D415 WeakPolarHBondContact CB-OD2 3.42Å; R360-D415 VanDerWaalsContact CG-OD1 3.26Å; R360-D415 WeakPolarHBondContact CG-OD1 3.44Å; R360-D415 VanDerWaalsContact CG-OD2 3.22Å; R360-D415 WeakPolarHBondContact CG-OD2 3.48Å
361A94.5Very high94.2Very high6 Ų638.3 Ų38.35%0.0519%0.192CC..EExtended strand (participates in β ladder)trans-137.6133.4-174.100000111S309 L342 E359 F412S309-A361 PolarHBondContact OG-N 3.48Å; S309-A361 PolarHBondContact OG-O 3.27Å; S309-A361 VanDerWaalsContact OG-O 3.1Å; L342-A361 HydrophobicContact CD1-CB 3.6Å; L342-A361 HydrophobicContact CD2-CB 4.29Å; E359-A361 PolarHBondContact O-N 2.98Å; E359-A361 VanDerWaalsContact O-N 3.16Å; A361-F412 HydrophobicContact CB-CB 3.8Å; A361-F412 HydrophobicContact CB-CD1 4.14Å; A361-F412 HydrophobicContact CB-CG 4.21Å
362K94.1Very high94.3Very high87 Ų8737 Ų3738%0.37818%0.178SC..EExtended strand (participates in β ladder)trans-105.9134.1173.8-165.7178.6-144.5-179.80109.5L364 I366 D370 F412 V413K362-L364 PolarHBondContact O-N 2.9Å; K362-I366 HydrophobicContact CD-CG2 4.23Å; K362-I366 HydrophobicContact CG-CB 4.35Å; K362-I366 HydrophobicContact CG-CG2 4.39Å; K362-D370 IonicContact NZ-OD2 3.09Å; K362-D370 PolarHBondContact NZ-OD2 3.29Å; K362-F412 CarbonylContact O-C 3.58Å; K362-F412 VanDerWaalsContact O-CA 3.27Å; K362-F412 WeakPolarHBondContact O-CA 3.26Å; K362-V413 PolarHBondContact N-O 2.8Å; K362-V413 PolarHBondContact O-N 3.42Å
363P95.2Very high94.2Very high3 Ų344 Ų442%0.01921%0.206CC..EExtended strand (participates in β ladder)trans-53.2135.3172.8-26.733.6000111.9V285 W288 L296 E365 I366 Y367 F412V285-P363 HydrophobicContact CG1-CG 4.36Å; W288-P363 HydrophobicContact CE3-CB 3.91Å; W288-P363 HydrophobicContact CE3-CG 3.83Å; W288-P363 HydrophobicContact CZ3-CB 4.24Å; W288-P363 HydrophobicContact CZ3-CG 4.47Å; L296-P363 HydrophobicContact CD2-CG 3.77Å; P363-E365 VanDerWaalsContact C-N 3.27Å; P363-E365 PolarHBondContact O-N 3.23Å; P363-I366 HydrophobicContact CB-CD1 4.06Å; P363-I366 HydrophobicContact CB-CG1 4.18Å; P363-I366 HydrophobicContact CG-CD1 3.87Å; P363-I366 PolarHBondContact O-N 3.07Å; P363-I366 VanDerWaalsContact O-N 3.13Å; P363-Y367 PolarHBondContact O-N 3.04Å; P363-F412 HydrophobicContact CB-CE1 4.41Å; P363-F412 HydrophobicContact CG-CD1 4.43Å; P363-F412 HydrophobicContact CG-CE1 4.11Å
364L95.5Very high94.2Very high1 Ų144.7 Ų44.71%0.00521%0.207CC..Hα-helixtrans-58.7-37.6-175.6174.760.9000112.7K362 I366 Y367 L368 I408 L411 V413 W419 L475K362-L364 PolarHBondContact O-N 2.9Å; L364-I366 VanDerWaalsContact C-N 3.3Å; L364-I366 PolarHBondContact O-N 2.85Å; L364-Y367 HydrophobicContact CD1-CD1 4.3Å; L364-Y367 PolarHBondContact O-N 3.42Å; L364-L368 HydrophobicContact CD1-CD1 4.16Å; L364-L368 HydrophobicContact CD1-CD2 4.37Å; L364-L368 HydrophobicContact CD1-CG 3.91Å; L364-L368 HydrophobicContact CD2-CD1 4.45Å; L364-L368 HydrophobicContact CG-CD1 3.91Å; L364-L368 HydrophobicContact CG-CG 4.16Å; L364-L368 WeakPolarHBondContact O-CG 3.4Å; L364-L368 PolarHBondContact O-N 3.31Å; L364-I408 HydrophobicContact CD2-CG1 4.22Å; L364-I408 HydrophobicContact CG-CG1 4.32Å; L364-L411 HydrophobicContact CB-CB 3.84Å; L364-L411 VanDerWaalsContact CB-O 3.31Å; L364-L411 WeakPolarHBondContact CB-O 3.26Å; L364-L411 HydrophobicContact CD2-CB 3.59Å; L364-L411 HydrophobicContact CD2-CD1 3.54Å; L364-L411 HydrophobicContact CD2-CG 4.22Å; L364-L411 HydrophobicContact CG-CB 4.35Å; L364-L411 PolarHBondContact N-O 3.41Å; L364-V413 HydrophobicContact CD1-CG2 3.71Å; L364-W419 HydrophobicContact CD1-CD2 3.78Å; L364-W419 HydrophobicContact CD1-CE3 3.92Å; L364-W419 HydrophobicContact CD1-CH2 3.62Å; L364-W419 HydrophobicContact CD1-CZ2 3.45Å; L364-W419 VanDerWaalsContact CD1-CZ2 3.45Å; L364-W419 HydrophobicContact CD1-CZ3 3.85Å; L364-W419 HydrophobicContact CD2-CD2 4.35Å; L364-W419 HydrophobicContact CD2-CE3 3.66Å; L364-W419 HydrophobicContact CD2-CH2 3.85Å; L364-W419 HydrophobicContact CD2-CZ3 3.38Å; L364-W419 HydrophobicContact CG-CE3 4.46Å; L364-W419 HydrophobicContact CG-CH2 4.32Å; L364-W419 HydrophobicContact CG-CZ3 4.26Å; L364-L475 HydrophobicContact CD2-CD2 4.03Å
365E92.7Very high94.1Very high84 Ų8450 Ų5039%0.39324%0.242SC..Hα-helixtrans-58.4-42.1178.1-174.9173.8-175.100112.4P363 L368 N369 I408P363-E365 VanDerWaalsContact C-N 3.27Å; P363-E365 PolarHBondContact O-N 3.23Å; E365-L368 PolarHBondContact O-N 2.99Å; E365-N369 PolarHBondContact O-N 3.48Å; E365-N369 VanDerWaalsContact O-N 3.15Å; E365-N369 PolarHBondContact O-ND2 2.94Å; E365-N369 VanDerWaalsContact O-ND2 3.14Å; E365-I408 HydrophobicContact CB-CD1 3.96Å; E365-I408 HydrophobicContact CB-CG1 4.27Å; E365-I408 HydrophobicContact CG-CD1 4.26Å
366I92.7Very high94Very high36 Ų3651.2 Ų51.219%0.18525%0.249CC..Hα-helixtrans-66.3-44.6177.1-56.4176.5000109.7V285 D286 K362 P363 L364 L368 N369 D370V285-I366 HydrophobicContact CG1-CD1 4.24Å; D286-I366 WeakPolarHBondContact O-CD1 3.32Å; K362-I366 HydrophobicContact CD-CG2 4.23Å; K362-I366 HydrophobicContact CG-CB 4.35Å; K362-I366 HydrophobicContact CG-CG2 4.39Å; P363-I366 HydrophobicContact CB-CD1 4.06Å; P363-I366 HydrophobicContact CB-CG1 4.18Å; P363-I366 HydrophobicContact CG-CD1 3.87Å; P363-I366 PolarHBondContact O-N 3.07Å; P363-I366 VanDerWaalsContact O-N 3.13Å; L364-I366 VanDerWaalsContact C-N 3.3Å; L364-I366 PolarHBondContact O-N 2.85Å; I366-L368 VanDerWaalsContact C-N 3.35Å; I366-L368 PolarHBondContact O-N 2.99Å; I366-N369 WeakPolarHBondContact O-CB 3.43Å; I366-N369 PolarHBondContact O-N 3.3Å; I366-N369 VanDerWaalsContact O-N 3.12Å; I366-D370 PolarHBondContact O-N 2.95Å; I366-D370 VanDerWaalsContact O-N 3.12Å
367Y94.1Very high93.9Very high15 Ų1553.6 Ų53.66%0.05926%0.259CS..Hα-helixtrans-61.3-40.4177.4-177.2-112.4000112.8P363 L364 N369 D370 L371 I380 V413 W419P363-Y367 PolarHBondContact O-N 3.04Å; L364-Y367 HydrophobicContact CD1-CD1 4.3Å; L364-Y367 PolarHBondContact O-N 3.42Å; Y367-N369 VanDerWaalsContact C-N 3.26Å; Y367-N369 PolarHBondContact O-N 2.93Å; Y367-D370 WeakPolarHBondContact O-CB 3.42Å; Y367-D370 PolarHBondContact O-N 2.88Å; Y367-L371 HydrophobicContact CD1-CD1 3.85Å; Y367-L371 HydrophobicContact CD1-CG 4.42Å; Y367-L371 HydrophobicContact CE1-CD1 3.44Å; Y367-L371 VanDerWaalsContact CE1-CD1 3.44Å; Y367-L371 HydrophobicContact CE1-CG 4.14Å; Y367-L371 HydrophobicContact CE2-CG 4.5Å; Y367-L371 WeakPolarHBondContact O-CG 3.45Å; Y367-L371 PolarHBondContact O-N 3.14Å; Y367-I380 HydrophobicContact CE1-CG2 4.15Å; Y367-V413 HydrophobicContact CD1-CB 4.17Å; Y367-V413 HydrophobicContact CD1-CG1 4.04Å; Y367-V413 HydrophobicContact CD1-CG2 3.62Å; Y367-V413 HydrophobicContact CD2-CG1 4.28Å; Y367-V413 HydrophobicContact CE1-CG1 3.96Å; Y367-V413 HydrophobicContact CE1-CG2 4.2Å; Y367-V413 HydrophobicContact CE2-CG1 4.26Å; Y367-V413 HydrophobicContact CG-CB 4.12Å; Y367-V413 HydrophobicContact CG-CG1 4.16Å; Y367-V413 HydrophobicContact CG-CG2 3.93Å; Y367-W419 AromaticContact CE1-NE1 3.95Å
368L93.9Very high93.7Very high12 Ų1257.5 Ų57.56%0.06328%0.28CS..Hα-helixtrans-66.1-28.1176-70.4170.7000113L364 E365 I366 K372 I381 I408 W419 L475L364-L368 HydrophobicContact CD1-CD1 4.16Å; L364-L368 HydrophobicContact CD1-CD2 4.37Å; L364-L368 HydrophobicContact CD1-CG 3.91Å; L364-L368 HydrophobicContact CD2-CD1 4.45Å; L364-L368 HydrophobicContact CG-CD1 3.91Å; L364-L368 HydrophobicContact CG-CG 4.16Å; L364-L368 WeakPolarHBondContact O-CG 3.4Å; L364-L368 PolarHBondContact O-N 3.31Å; E365-L368 PolarHBondContact O-N 2.99Å; I366-L368 VanDerWaalsContact C-N 3.35Å; I366-L368 PolarHBondContact O-N 2.99Å; L368-K372 PolarHBondContact O-N 3.43Å; L368-I381 HydrophobicContact CD2-CG1 4.31Å; L368-I408 HydrophobicContact CD1-CD1 3.86Å; L368-W419 HydrophobicContact CD2-CH2 4.32Å; L368-W419 HydrophobicContact CD2-CZ2 4.21Å; L368-L475 HydrophobicContact CD1-CD2 3.55Å; L368-L475 HydrophobicContact CD2-CD2 4.43Å
369N92.4Very high93.5Very high69 Ų6959.5 Ų59.537%0.36929%0.291SS..Hα-helixtrans-68.8-42.7172.3-73.5-40.5000111.2E365 I366 Y367 L371 K372E365-N369 PolarHBondContact O-N 3.48Å; E365-N369 VanDerWaalsContact O-N 3.15Å; E365-N369 PolarHBondContact O-ND2 2.94Å; E365-N369 VanDerWaalsContact O-ND2 3.14Å; I366-N369 WeakPolarHBondContact O-CB 3.43Å; I366-N369 PolarHBondContact O-N 3.3Å; I366-N369 VanDerWaalsContact O-N 3.12Å; Y367-N369 VanDerWaalsContact C-N 3.26Å; Y367-N369 PolarHBondContact O-N 2.93Å; N369-L371 VanDerWaalsContact C-N 3.26Å; N369-L371 PolarHBondContact O-N 3.22Å; N369-K372 VanDerWaalsContact O-CB 3.31Å; N369-K372 WeakPolarHBondContact O-CB 3.38Å; N369-K372 VanDerWaalsContact O-CG 3.31Å; N369-K372 WeakPolarHBondContact O-CG 3.49Å; N369-K372 PolarHBondContact O-N 3.32Å; N369-K372 VanDerWaalsContact O-N 3.15Å; N369-K372 WeakPolarHBondContact OD1-CE 3.34Å; N369-K372 PolarHBondContact OD1-NZ 3.16Å
370D91.6Very high93.5Very high92 Ų9257.7 Ų57.749%0.49228%0.282SS..Hα-helixtrans-62.4-35.2175.1-60.5-26.3000111.5K362 I366 Y367 K372K362-D370 IonicContact NZ-OD2 3.09Å; K362-D370 PolarHBondContact NZ-OD2 3.29Å; I366-D370 PolarHBondContact O-N 2.95Å; I366-D370 VanDerWaalsContact O-N 3.12Å; Y367-D370 WeakPolarHBondContact O-CB 3.42Å; Y367-D370 PolarHBondContact O-N 2.88Å; D370-K372 VanDerWaalsContact C-N 3.27Å; D370-K372 PolarHBondContact O-N 2.98Å
371L93.5Very high93.5Very high7 Ų754.2 Ų54.24%0.03727%0.269CS..G310 helixtrans-75.8-3.1177.2-68.5179.9000114.9Y367 N369 Q373 F374 K377 I380 P565Y367-L371 HydrophobicContact CD1-CD1 3.85Å; Y367-L371 HydrophobicContact CD1-CG 4.42Å; Y367-L371 HydrophobicContact CE1-CD1 3.44Å; Y367-L371 VanDerWaalsContact CE1-CD1 3.44Å; Y367-L371 HydrophobicContact CE1-CG 4.14Å; Y367-L371 HydrophobicContact CE2-CG 4.5Å; Y367-L371 WeakPolarHBondContact O-CG 3.45Å; Y367-L371 PolarHBondContact O-N 3.14Å; N369-L371 VanDerWaalsContact C-N 3.26Å; N369-L371 PolarHBondContact O-N 3.22Å; L371-Q373 PolarHBondContact O-N 2.95Å; L371-Q373 VanDerWaalsContact O-N 3.14Å; L371-F374 HydrophobicContact CD2-CB 4.05Å; L371-F374 HydrophobicContact CD2-CD1 4.14Å; L371-F374 HydrophobicContact CD2-CG 4.26Å; L371-F374 WeakPolarHBondContact O-CB 3.35Å; L371-F374 PolarHBondContact O-N 2.78Å; L371-K377 HydrophobicContact CB-CD 4.39Å; L371-K377 HydrophobicContact CB-CG 4.26Å; L371-I380 HydrophobicContact CD1-CB 4.24Å; L371-I380 HydrophobicContact CD1-CG2 3.75Å; L371-P565 HydrophobicContact CD2-CB 4.29Å; L371-P565 HydrophobicContact CD2-CG 3.73Å
372K90.4Very high93.5Very high141 Ų14154.1 Ų54.161%0.61327%0.268SS*.G310 helixtrans-55.7-35.2-176.5-80.8176179.2167.90113.4L368 N369 D370L368-K372 PolarHBondContact O-N 3.43Å; N369-K372 VanDerWaalsContact O-CB 3.31Å; N369-K372 WeakPolarHBondContact O-CB 3.38Å; N369-K372 VanDerWaalsContact O-CG 3.31Å; N369-K372 WeakPolarHBondContact O-CG 3.49Å; N369-K372 PolarHBondContact O-N 3.32Å; N369-K372 VanDerWaalsContact O-N 3.15Å; N369-K372 WeakPolarHBondContact OD1-CE 3.34Å; N369-K372 PolarHBondContact OD1-NZ 3.16Å; D370-K372 VanDerWaalsContact C-N 3.27Å; D370-K372 PolarHBondContact O-N 2.98Å
373Q89.1Confident93.6Very high187 Ų18750.1 Ų50.187%0.87425%0.25SS*.G310 helixtrans-93.1-2.7-179.6-61.3-179.39.600113.1L371 P375L371-Q373 PolarHBondContact O-N 2.95Å; L371-Q373 VanDerWaalsContact O-N 3.14Å; Q373-P375 WeakPolarHBondContact O-CD 3.46Å
374F94.3Very high93.7Very high41 Ų4150 Ų5018%0.1825%0.25CC..  trans-80.6117.9-176.9-173.7-119.1000110.8L371 H376 K377 I380 L563 P565L371-F374 HydrophobicContact CD2-CB 4.05Å; L371-F374 HydrophobicContact CD2-CD1 4.14Å; L371-F374 HydrophobicContact CD2-CG 4.26Å; L371-F374 WeakPolarHBondContact O-CB 3.35Å; L371-F374 PolarHBondContact O-N 2.78Å; F374-H376 HydrophobicContact CD1-CB 4.29Å; F374-H376 HydrophobicContact CE1-CB 3.63Å; F374-H376 HydrophobicContact CZ-CB 3.99Å; F374-H376 PolarHBondContact O-N 3.07Å; F374-H376 VanDerWaalsContact O-N 3.1Å; F374-K377 WeakPolarHBondContact O-CB 3.35Å; F374-K377 PolarHBondContact O-N 3.48Å; F374-K377 VanDerWaalsContact O-N 3.13Å; F374-I380 HydrophobicContact CD1-CG1 4.12Å; F374-I380 HydrophobicContact CE1-CD1 4.28Å; F374-I380 HydrophobicContact CE1-CG1 3.79Å; F374-L563 WeakPolarHBondContact CZ-O 3.33Å; F374-P565 HydrophobicContact CD1-CG 4.16Å; F374-P565 HydrophobicContact CE1-CG 3.91Å; F374-P565 HydrophobicContact CZ-CG 4.17Å
375P93.1Very high93.7Very high112 Ų11249.9 Ų49.973%0.72725%0.249SC*.THydrogen-bonded Turntrans-58.2-31.6-173-26.735.2000114.2Q373Q373-P375 WeakPolarHBondContact O-CD 3.46Å
376H93Very high93.9Very high72 Ų7246.4 Ų46.433%0.33323%0.233SC..THydrogen-bonded Turntrans-101.224.4-176.4-59.7-65.2000113.4F374 N378 L379 I380 D562F374-H376 HydrophobicContact CD1-CB 4.29Å; F374-H376 HydrophobicContact CE1-CB 3.63Å; F374-H376 HydrophobicContact CZ-CB 3.99Å; F374-H376 PolarHBondContact O-N 3.07Å; F374-H376 VanDerWaalsContact O-N 3.1Å; H376-N378 PolarHBondContact O-N 2.95Å; H376-N378 VanDerWaalsContact O-N 3.08Å; H376-L379 HydrophobicContact CB-CD1 4.12Å; H376-L379 HydrophobicContact CB-CG 4.41Å; H376-L379 WeakPolarHBondContact O-CB 3.49Å; H376-L379 PolarHBondContact O-N 2.86Å; H376-I380 PolarHBondContact O-N 2.82Å; H376-D562 PolarHBondContact CD2-O 3.23Å
377K94Very high94.1Very high50 Ų5044.9 Ų44.922%0.21723%0.225CC..Hα-helixtrans-46.3-41.8179.2177.3178.7172.2175.30113.6L371 F374 L379 I380 I381L371-K377 HydrophobicContact CB-CD 4.39Å; L371-K377 HydrophobicContact CB-CG 4.26Å; F374-K377 WeakPolarHBondContact O-CB 3.35Å; F374-K377 PolarHBondContact O-N 3.48Å; F374-K377 VanDerWaalsContact O-N 3.13Å; K377-L379 VanDerWaalsContact C-N 3.28Å; K377-L379 PolarHBondContact O-N 3.47Å; K377-I380 WeakPolarHBondContact O-CB 3.47Å; K377-I380 PolarHBondContact O-N 2.82Å; K377-I380 VanDerWaalsContact O-N 3.13Å; K377-I381 HydrophobicContact CG-CD1 4.04Å; K377-I381 PolarHBondContact O-N 3.05Å
378N93.1Very high94.3Very high82 Ų8244.2 Ų44.244%0.43922%0.223SC..Hα-helixtrans-65.3-29.3-178.5-67.6-7.7000113.4H376 S382H376-N378 PolarHBondContact O-N 2.95Å; H376-N378 VanDerWaalsContact O-N 3.08Å; N378-S382 PolarHBondContact O-N 3.01Å
379L94.4Very high94.5Very high42 Ų4243.6 Ų43.622%0.2222%0.22CC..Hα-helixtrans-70.3-39.2174.2-59.9-176.6000110.5H376 K377 I381 S382 W383 N530 L532 L563H376-L379 HydrophobicContact CB-CD1 4.12Å; H376-L379 HydrophobicContact CB-CG 4.41Å; H376-L379 WeakPolarHBondContact O-CB 3.49Å; H376-L379 PolarHBondContact O-N 2.86Å; K377-L379 VanDerWaalsContact C-N 3.28Å; K377-L379 PolarHBondContact O-N 3.47Å; L379-I381 VanDerWaalsContact C-N 3.35Å; L379-S382 WeakPolarHBondContact O-CB 3.31Å; L379-S382 PolarHBondContact O-N 3.33Å; L379-W383 PolarHBondContact O-N 3.26Å; L379-N530 HydrophobicContact CD2-CB 3.92Å; L379-L532 HydrophobicContact CB-CB 3.96Å; L379-L532 HydrophobicContact CB-CD2 3.95Å; L379-L532 HydrophobicContact CB-CG 4.42Å; L379-L532 HydrophobicContact CD1-CB 4.2Å; L379-L532 VanDerWaalsContact O-CD2 3.28Å; L379-L532 WeakPolarHBondContact O-CD2 3.38Å; L379-L563 HydrophobicContact CD1-CD2 4.09Å
380I96Very high94.7Very high0 Ų043 Ų430%022%0.216CC..Hα-helixtrans-66.5-38.1176.1-54-61.3000111.3Y367 L371 F374 H376 K377 S382 W383 G384 L532 P565 M568Y367-I380 HydrophobicContact CE1-CG2 4.15Å; L371-I380 HydrophobicContact CD1-CB 4.24Å; L371-I380 HydrophobicContact CD1-CG2 3.75Å; F374-I380 HydrophobicContact CD1-CG1 4.12Å; F374-I380 HydrophobicContact CE1-CD1 4.28Å; F374-I380 HydrophobicContact CE1-CG1 3.79Å; H376-I380 PolarHBondContact O-N 2.82Å; K377-I380 WeakPolarHBondContact O-CB 3.47Å; K377-I380 PolarHBondContact O-N 2.82Å; K377-I380 VanDerWaalsContact O-N 3.13Å; I380-S382 VanDerWaalsContact C-N 3.34Å; I380-W383 WeakPolarHBondContact O-CB 3.01Å; I380-W383 PolarHBondContact O-N 2.99Å; I380-G384 PolarHBondContact O-N 3.3Å; I380-L532 HydrophobicContact CD1-CD1 3.93Å; I380-L532 HydrophobicContact CD1-CD2 3.78Å; I380-P565 HydrophobicContact CD1-CG 3.89Å; I380-P565 HydrophobicContact CG1-CG 4.04Å; I380-M568 HydrophobicContact CD1-SD 3.94Å
381I95.7Very high95Very high0 Ų038.6 Ų38.60%019%0.193CC..Hα-helixtrans-61.9-42.9171.5-73.6169.3000111L368 K377 L379 W383 G384 I385 L475 F476 W496L368-I381 HydrophobicContact CD2-CG1 4.31Å; K377-I381 HydrophobicContact CG-CD1 4.04Å; K377-I381 PolarHBondContact O-N 3.05Å; L379-I381 VanDerWaalsContact C-N 3.35Å; I381-W383 VanDerWaalsContact C-N 3.34Å; I381-W383 PolarHBondContact O-N 3.1Å; I381-G384 PolarHBondContact O-N 3.09Å; I381-I385 HydrophobicContact CG2-CG1 4.4Å; I381-I385 WeakPolarHBondContact O-CG1 3.31Å; I381-I385 PolarHBondContact O-N 3.42Å; I381-L475 HydrophobicContact CD1-CB 4.39Å; I381-L475 HydrophobicContact CG2-CB 4.37Å; I381-L475 HydrophobicContact CG2-CD1 3.7Å; I381-F476 HydrophobicContact CD1-CD1 4.48Å; I381-F476 HydrophobicContact CD1-CE1 3.96Å; I381-F476 HydrophobicContact CD1-CZ 4.13Å; I381-F476 HydrophobicContact CG2-CE2 4.15Å; I381-F476 HydrophobicContact CG2-CZ 3.85Å; I381-W496 HydrophobicContact CG2-CH2 3.76Å; I381-W496 HydrophobicContact CG2-CZ2 3.87Å; I381-W496 HydrophobicContact CG2-CZ3 4.46Å
382S95.2Very high95.2Very high4 Ų438.2 Ų38.23%0.02819%0.191CC..Hα-helixtrans-59.3-44.3175.7-179.20000111.8N378 L379 I380 L386 L527 N530 I533N378-S382 PolarHBondContact O-N 3.01Å; L379-S382 WeakPolarHBondContact O-CB 3.31Å; L379-S382 PolarHBondContact O-N 3.33Å; I380-S382 VanDerWaalsContact C-N 3.34Å; S382-L386 PolarHBondContact O-N 2.94Å; S382-L386 VanDerWaalsContact O-N 3.12Å; S382-L527 PolarHBondContact OG-O 3.36Å; S382-N530 PolarHBondContact OG-ND2 3.27Å; S382-I533 VanDerWaalsContact OG-CD1 3.26Å; S382-I533 WeakPolarHBondContact OG-CD1 3.33Å
383W95.4Very high95.4Very high2 Ų231.6 Ų31.61%0.00816%0.163CC..Hα-helixtrans-60.6-47173.3-179-114.3000112.6L379 I380 I381 I385 L386 H387 D418 L532 I533 M536 E540L379-W383 PolarHBondContact O-N 3.26Å; I380-W383 WeakPolarHBondContact O-CB 3.01Å; I380-W383 PolarHBondContact O-N 2.99Å; I381-W383 VanDerWaalsContact C-N 3.34Å; I381-W383 PolarHBondContact O-N 3.1Å; W383-I385 PolarHBondContact O-N 2.87Å; W383-L386 HydrophobicContact CE3-CD2 4.07Å; W383-L386 HydrophobicContact CZ3-CD2 3.91Å; W383-L386 WeakPolarHBondContact O-CB 3.41Å; W383-L386 PolarHBondContact O-N 3.15Å; W383-H387 AromaticContact CD2-NE2 3.77Å; W383-H387 AromaticContact CE2-CD2 3.99Å; W383-H387 AromaticContact CE2-CE1 3.62Å; W383-H387 AromaticContact CE2-NE2 3.06Å; W383-H387 AromaticContact CH2-NE2 3.57Å; W383-H387 AromaticContact CZ2-CE1 3.68Å; W383-H387 AromaticContact CZ2-NE2 2.95Å; W383-H387 WeakPolarHBondContact CZ2-NE2 3.26Å; W383-H387 AromaticContact NE1-CE1 3.43Å; W383-H387 PolarHBondContact NE1-CE1 3.24Å; W383-H387 AromaticContact NE1-NE2 3.37Å; W383-H387 PolarHBondContact NE1-NE2 3.05Å; W383-H387 PolarHBondContact O-CD2 3.12Å; W383-H387 PolarHBondContact O-N 3.25Å; W383-D418 PolarHBondContact NE1-OD1 3.33Å; W383-L532 HydrophobicContact CB-CD2 3.81Å; W383-L532 HydrophobicContact CG-CD2 4.43Å; W383-I533 HydrophobicContact CE3-CB 4.44Å; W383-I533 HydrophobicContact CE3-CG1 3.98Å; W383-I533 HydrophobicContact CE3-CG2 4.38Å; W383-I533 HydrophobicContact CZ3-CG2 4.32Å; W383-M536 HydrophobicContact CD2-CB 4.28Å; W383-M536 HydrophobicContact CD2-CG 4.35Å; W383-M536 HydrophobicContact CE3-CB 4.01Å; W383-M536 HydrophobicContact CH2-CB 3.47Å; W383-M536 VanDerWaalsContact CH2-CB 3.47Å; W383-M536 HydrophobicContact CH2-CG 4.33Å; W383-M536 HydrophobicContact CZ2-CB 3.76Å; W383-M536 HydrophobicContact CZ2-CG 4.13Å; W383-M536 HydrophobicContact CZ2-SD 4.44Å; W383-M536 HydrophobicContact CZ3-CB 3.59Å; W383-M536 HydrophobicContact CZ3-CG 4.5Å; W383-E540 WeakPolarHBondContact CH2-OE1 3.4Å; W383-E540 WeakPolarHBondContact CZ2-OE1 3.43Å
384G96.7Very high95.7Very high0 Ų024.7 Ų24.70%013%0.13CC..Hα-helixtrans-61-44.6178.500000113.7I380 I381 L386 H387 V388 W419I380-G384 PolarHBondContact O-N 3.3Å; I381-G384 PolarHBondContact O-N 3.09Å; G384-L386 VanDerWaalsContact C-N 3.29Å; G384-L386 PolarHBondContact O-N 3.01Å; G384-H387 WeakPolarHBondContact O-CB 3.2Å; G384-H387 PolarHBondContact O-N 2.92Å; G384-V388 WeakPolarHBondContact O-CG2 3.28Å; G384-V388 PolarHBondContact O-N 3.29Å; G384-V388 VanDerWaalsContact O-N 3.08Å; G384-W419 VanDerWaalsContact CA-CG 3.46Å
385I97.3Very high95.8Very high0 Ų022.8 Ų22.80%012%0.121CC..Hα-helixtrans-66-33.3177.1-68.9-63.5000111.7I381 W383 H387 V388 A389 L468 L471 I472 L475 W496 L527 F528I381-I385 HydrophobicContact CG2-CG1 4.4Å; I381-I385 WeakPolarHBondContact O-CG1 3.31Å; I381-I385 PolarHBondContact O-N 3.42Å; W383-I385 PolarHBondContact O-N 2.87Å; I385-H387 VanDerWaalsContact C-N 3.32Å; I385-H387 PolarHBondContact O-N 3.29Å; I385-V388 PolarHBondContact O-N 3.48Å; I385-A389 VanDerWaalsContact O-CB 3.29Å; I385-A389 WeakPolarHBondContact O-CB 3.32Å; I385-A389 PolarHBondContact O-N 3.12Å; I385-L468 HydrophobicContact CD1-CD1 3.99Å; I385-L468 HydrophobicContact CG2-CD1 4.32Å; I385-L471 HydrophobicContact CD1-CD2 3.74Å; I385-L471 HydrophobicContact CD1-CG 4.1Å; I385-I472 HydrophobicContact CD1-CG1 3.7Å; I385-I472 HydrophobicContact CG1-CG1 4.15Å; I385-I472 HydrophobicContact CG2-CD1 4.3Å; I385-I472 HydrophobicContact CG2-CG1 4.42Å; I385-L475 HydrophobicContact CD1-CD1 3.44Å; I385-L475 VanDerWaalsContact CD1-CD1 3.44Å; I385-L475 HydrophobicContact CG1-CD1 3.67Å; I385-W496 HydrophobicContact CB-CH2 4.13Å; I385-W496 HydrophobicContact CB-CZ3 4.21Å; I385-W496 HydrophobicContact CG1-CH2 3.93Å; I385-W496 HydrophobicContact CG1-CZ3 3.86Å; I385-W496 HydrophobicContact CG2-CH2 4.49Å; I385-W496 HydrophobicContact CG2-CZ3 4.19Å; I385-L527 HydrophobicContact CG2-CD2 4.47Å; I385-F528 HydrophobicContact CB-CE1 4.16Å; I385-F528 HydrophobicContact CG2-CE1 3.68Å; I385-F528 HydrophobicContact CG2-CZ 3.84Å
386L96.2Very high95.7Very high10 Ų1018.2 Ų18.25%0.0529%0.092CC..Hα-helixtrans-59-45.1173.1177.962.3000110.9S382 W383 G384 A389 N390 L518 F528 I533S382-L386 PolarHBondContact O-N 2.94Å; S382-L386 VanDerWaalsContact O-N 3.12Å; W383-L386 HydrophobicContact CE3-CD2 4.07Å; W383-L386 HydrophobicContact CZ3-CD2 3.91Å; W383-L386 WeakPolarHBondContact O-CB 3.41Å; W383-L386 PolarHBondContact O-N 3.15Å; G384-L386 VanDerWaalsContact C-N 3.29Å; G384-L386 PolarHBondContact O-N 3.01Å; L386-A389 PolarHBondContact O-N 3.46Å; L386-N390 WeakPolarHBondContact O-CB 3.32Å; L386-N390 VanDerWaalsContact O-CG 3.24Å; L386-N390 PolarHBondContact O-N 3.12Å; L386-N390 PolarHBondContact O-ND2 3.4Å; L386-L518 HydrophobicContact CD1-CD2 3.61Å; L386-F528 HydrophobicContact CB-CD1 4.01Å; L386-F528 HydrophobicContact CB-CE1 4.21Å; L386-F528 HydrophobicContact CB-CG 4.39Å; L386-F528 HydrophobicContact CD1-CD2 3.99Å; L386-F528 HydrophobicContact CD1-CE2 4.36Å; L386-F528 HydrophobicContact CD1-CG 4.09Å; L386-I533 HydrophobicContact CD2-CD1 4.27Å; L386-I533 HydrophobicContact CD2-CG2 3.89Å
387H97Very high95.6Very high4 Ų420.6 Ų20.62%0.01910%0.098CC..Hα-helixtrans-62.2-46.3176.3-70.6-159.4000112.4D340 W383 G384 I385 A389 N390 A391 D418 W419D340-H387 HydrophobicContact CB-CB 4.04Å; D340-H387 VanDerWaalsContact CB-O 3.32Å; D340-H387 WeakPolarHBondContact CB-O 3.38Å; D340-H387 IonicContact OD1-CD2 3.73Å; D340-H387 IonicContact OD1-CE1 3.13Å; D340-H387 IonicContact OD1-CG 3.39Å; D340-H387 VanDerWaalsContact OD1-CG 3.27Å; D340-H387 IonicContact OD1-ND1 2.82Å; D340-H387 PolarHBondContact OD1-ND1 3.45Å; D340-H387 IonicContact OD1-NE2 2.71Å; W383-H387 AromaticContact CD2-NE2 3.77Å; W383-H387 AromaticContact CE2-CD2 3.99Å; W383-H387 AromaticContact CE2-CE1 3.62Å; W383-H387 AromaticContact CE2-NE2 3.06Å; W383-H387 AromaticContact CH2-NE2 3.57Å; W383-H387 AromaticContact CZ2-CE1 3.68Å; W383-H387 AromaticContact CZ2-NE2 2.95Å; W383-H387 WeakPolarHBondContact CZ2-NE2 3.26Å; W383-H387 AromaticContact NE1-CE1 3.43Å; W383-H387 PolarHBondContact NE1-CE1 3.24Å; W383-H387 AromaticContact NE1-NE2 3.37Å; W383-H387 PolarHBondContact NE1-NE2 3.05Å; W383-H387 PolarHBondContact O-CD2 3.12Å; W383-H387 PolarHBondContact O-N 3.25Å; G384-H387 WeakPolarHBondContact O-CB 3.2Å; G384-H387 PolarHBondContact O-N 2.92Å; I385-H387 VanDerWaalsContact C-N 3.32Å; I385-H387 PolarHBondContact O-N 3.29Å; H387-A389 VanDerWaalsContact C-N 3.32Å; H387-A389 PolarHBondContact O-N 3.12Å; H387-N390 PolarHBondContact O-N 3.47Å; H387-A391 WeakPolarHBondContact O-CB 2.88Å; H387-A391 PolarHBondContact O-N 3.29Å; H387-D418 IonicContact CE1-OD1 3.38Å; H387-D418 PolarHBondContact CE1-OD1 2.95Å; H387-W419 HydrophobicContact CB-CB 4.18Å; H387-W419 PolarHBondContact ND1-N 3.04Å; H387-W419 PolarHBondContact ND1-O 2.9Å
388V98.3Very high95.6Very high1 Ų122.2 Ų22.21%0.00611%0.109CC..Hα-helixtrans-62.8-42.6179.5-179.20000110.5G384 I385 A391 I392 V406 L411 W419 L468 L471G384-V388 WeakPolarHBondContact O-CG2 3.28Å; G384-V388 PolarHBondContact O-N 3.29Å; G384-V388 VanDerWaalsContact O-N 3.08Å; I385-V388 PolarHBondContact O-N 3.48Å; V388-A391 PolarHBondContact O-N 2.9Å; V388-I392 HydrophobicContact CG1-CD1 3.81Å; V388-I392 HydrophobicContact CG1-CG1 4.39Å; V388-I392 VanDerWaalsContact O-CG1 3.25Å; V388-I392 WeakPolarHBondContact O-CG1 3.25Å; V388-I392 PolarHBondContact O-N 3.32Å; V388-V406 HydrophobicContact CG1-CG1 4.15Å; V388-L411 HydrophobicContact CG2-CD1 3.87Å; V388-L411 HydrophobicContact CG2-CD2 3.54Å; V388-L411 HydrophobicContact CG2-CG 4.4Å; V388-W419 HydrophobicContact CG2-CE3 4.25Å; V388-L468 HydrophobicContact CB-CD1 4.29Å; V388-L468 HydrophobicContact CG1-CD1 3.83Å; V388-L471 HydrophobicContact CB-CD2 4.41Å; V388-L471 HydrophobicContact CG1-CD2 3.96Å; V388-L471 HydrophobicContact CG2-CD2 4.16Å
389A97.2Very high95.6Very high0 Ų019.9 Ų19.90%010%0.1CC..Hα-helixtrans-63.6-42.7175.900000111.8I385 L386 H387 A391 I392 G393 L468 I514 L518I385-A389 VanDerWaalsContact O-CB 3.29Å; I385-A389 WeakPolarHBondContact O-CB 3.32Å; I385-A389 PolarHBondContact O-N 3.12Å; L386-A389 PolarHBondContact O-N 3.46Å; H387-A389 VanDerWaalsContact C-N 3.32Å; H387-A389 PolarHBondContact O-N 3.12Å; A389-A391 PolarHBondContact O-N 3.46Å; A389-I392 PolarHBondContact O-N 3.34Å; A389-G393 PolarHBondContact O-N 3.38Å; A389-L468 HydrophobicContact CB-CD2 4.21Å; A389-I514 HydrophobicContact CB-CG2 4.23Å; A389-I514 WeakPolarHBondContact O-CG2 3.5Å; A389-L518 HydrophobicContact CB-CD2 3.56Å; A389-L518 HydrophobicContact CB-CG 4.05Å
390N96.6Very high95.5Very high55 Ų5523.4 Ų23.429%0.29411%0.114SC..Hα-helixtrans-60-45.7173.9-73.4-18.1000112D340 L386 H387 G393 F394 L518D340-N390 WeakPolarHBondContact OD2-CB 3.35Å; D340-N390 PolarHBondContact OD2-ND2 3.32Å; L386-N390 WeakPolarHBondContact O-CB 3.32Å; L386-N390 VanDerWaalsContact O-CG 3.24Å; L386-N390 PolarHBondContact O-N 3.12Å; L386-N390 PolarHBondContact O-ND2 3.4Å; H387-N390 PolarHBondContact O-N 3.47Å; N390-G393 PolarHBondContact O-N 2.62Å; N390-F394 PolarHBondContact O-N 3.02Å; N390-L518 WeakPolarHBondContact OD1-CD2 3.46Å
391A97.9Very high95.4Very high0 Ų023.8 Ų23.80%012%0.116CC..Hα-helixtrans-61-46.1177.500000111.8D340 I341 H387 V388 A389 F394 L395 L421D340-A391 HydrophobicContact CB-CB 3.95Å; I341-A391 HydrophobicContact CG1-CB 4.17Å; H387-A391 WeakPolarHBondContact O-CB 2.88Å; H387-A391 PolarHBondContact O-N 3.29Å; V388-A391 PolarHBondContact O-N 2.9Å; A389-A391 PolarHBondContact O-N 3.46Å; A391-F394 PolarHBondContact O-N 3.15Å; A391-L395 VanDerWaalsContact O-CG 3.29Å; A391-L395 WeakPolarHBondContact O-CG 3.48Å; A391-L395 PolarHBondContact O-N 2.94Å; A391-L421 HydrophobicContact CB-CB 4.01Å; A391-L421 HydrophobicContact CB-CD2 3.91Å
392I97.2Very high95.2Very high0 Ų023.8 Ų23.80%012%0.116CC..Hα-helixtrans-65.2-41.2176.8-62.5164.8000110.6V388 A389 F394 L395 T396 V406 D464 L468 I514V388-I392 HydrophobicContact CG1-CD1 3.81Å; V388-I392 HydrophobicContact CG1-CG1 4.39Å; V388-I392 VanDerWaalsContact O-CG1 3.25Å; V388-I392 WeakPolarHBondContact O-CG1 3.25Å; V388-I392 PolarHBondContact O-N 3.32Å; A389-I392 PolarHBondContact O-N 3.34Å; I392-F394 PolarHBondContact O-N 3.4Å; I392-L395 PolarHBondContact O-N 2.97Å; I392-T396 VanDerWaalsContact O-CB 3.29Å; I392-T396 WeakPolarHBondContact O-CB 3.32Å; I392-T396 PolarHBondContact O-N 3.25Å; I392-T396 PolarHBondContact O-OG1 3.1Å; I392-V406 HydrophobicContact CD1-CG1 4Å; I392-V406 HydrophobicContact CD1-CG2 3.87Å; I392-V406 HydrophobicContact CG1-CG2 4.18Å; I392-D464 HydrophobicContact CD1-CB 4.48Å; I392-D464 HydrophobicContact CG2-CB 3.52Å; I392-L468 HydrophobicContact CD1-CB 4.14Å; I392-L468 HydrophobicContact CD1-CD1 4.49Å; I392-L468 HydrophobicContact CD1-CD2 4.46Å; I392-I514 HydrophobicContact CB-CG1 4.38Å; I392-I514 HydrophobicContact CB-CG2 4.41Å; I392-I514 HydrophobicContact CG2-CD1 4.37Å; I392-I514 HydrophobicContact CG2-CG1 3.73Å
393G95.1Very high95.2Very high2 Ų223.6 Ų23.62%0.02112%0.115CC..Hα-helixtrans-57-48.117600000111.6A389 N390 T396 R397A389-G393 PolarHBondContact O-N 3.38Å; N390-G393 PolarHBondContact O-N 2.62Å; G393-T396 PolarHBondContact O-N 2.97Å; G393-R397 WeakPolarHBondContact O-CB 3.38Å; G393-R397 PolarHBondContact O-N 3.14Å
394F96Very high95.1Very high42 Ų4224.3 Ų24.318%0.18412%0.119CC..Hα-helixtrans-58.9-48.2173.2167.1-104.3000112.4L336 H338 I341 N390 A391 I392 T396 D398 A399L336-F394 HydrophobicContact CD2-CE1 3.99Å; H338-F394 HydrophobicContact CB-CD1 3.97Å; H338-F394 HydrophobicContact CB-CE1 3.98Å; H338-F394 HydrophobicContact CB-CG 4.45Å; H338-F394 HydrophobicContact CB-CZ 4.49Å; H338-F394 AromaticContact CD2-CD1 3.84Å; H338-F394 AromaticContact CD2-CD2 3.78Å; H338-F394 AromaticContact CD2-CG 3.46Å; H338-F394 VanDerWaalsContact CD2-CG 3.46Å; H338-F394 WeakPolarHBondContact CD2-CG 3.48Å; H338-F394 AromaticContact CG-CD1 3.93Å; I341-F394 HydrophobicContact CD1-CD1 3.87Å; I341-F394 HydrophobicContact CD1-CE1 3.96Å; N390-F394 PolarHBondContact O-N 3.02Å; A391-F394 PolarHBondContact O-N 3.15Å; I392-F394 PolarHBondContact O-N 3.4Å; F394-T396 VanDerWaalsContact C-N 3.32Å; F394-T396 PolarHBondContact O-N 3.11Å; F394-D398 HydrophobicContact CD2-CB 3.71Å; F394-D398 HydrophobicContact CE2-CB 3.9Å; F394-D398 WeakPolarHBondContact O-CA 3.24Å; F394-D398 WeakPolarHBondContact O-CB 3.16Å; F394-D398 PolarHBondContact O-N 3.49Å; F394-A399 HydrophobicContact CE1-CB 4.33Å; F394-A399 HydrophobicContact CZ-CB 4.42Å; F394-A399 PolarHBondContact O-N 3.34Å
395L95.7Very high94.9Very high0 Ų025 Ų250%012%0.123CC..Hα-helixtrans-59.7-44.2179.4-70.7174.5000111.8L336 I341 A391 I392 A399 K400 I401 H403 L421 F424L336-L395 HydrophobicContact CD1-CD2 4Å; L336-L395 HydrophobicContact CD2-CD2 3.91Å; I341-L395 HydrophobicContact CD1-CD2 4.1Å; I341-L395 HydrophobicContact CD1-CG 4.41Å; A391-L395 VanDerWaalsContact O-CG 3.29Å; A391-L395 WeakPolarHBondContact O-CG 3.48Å; A391-L395 PolarHBondContact O-N 2.94Å; I392-L395 PolarHBondContact O-N 2.97Å; L395-A399 HydrophobicContact CD2-CB 4.35Å; L395-A399 CarbonylContact O-C 3.5Å; L395-K400 WeakPolarHBondContact O-CA 3.23Å; L395-K400 PolarHBondContact O-N 2.95Å; L395-I401 CarbonylContact C-O 3.37Å; L395-I401 HydrophobicContact CD2-CB 4.44Å; L395-I401 HydrophobicContact CD2-CG2 4.47Å; L395-I401 PolarHBondContact O-N 3.13Å; L395-H403 HydrophobicContact CD1-CB 3.98Å; L395-L421 HydrophobicContact CD1-CD2 3.74Å; L395-F424 HydrophobicContact CD1-CE1 3.92Å; L395-F424 HydrophobicContact CD1-CZ 4.49Å; L395-F424 HydrophobicContact CD2-CE1 4.03Å
396T92Very high94.8Very high17 Ų1725.2 Ų25.210%0.10412%0.124CC..Hα-helixtrans-68.9-52.4-179.3-84.80000112.3I392 G393 F394 R430I392-T396 VanDerWaalsContact O-CB 3.29Å; I392-T396 WeakPolarHBondContact O-CB 3.32Å; I392-T396 PolarHBondContact O-N 3.25Å; I392-T396 PolarHBondContact O-OG1 3.1Å; G393-T396 PolarHBondContact O-N 2.97Å; F394-T396 VanDerWaalsContact C-N 3.32Å; F394-T396 PolarHBondContact O-N 3.11Å; T396-R430 PolarHBondContact O-NH1 2.86Å; T396-R430 PolarHBondContact OG1-NH2 3.32Å
397R90.8Very high94.7Very high122 Ų12225 Ų2546%0.4612%0.123SC..Hα-helixtrans-82.8-46.3-169.4-174.1-179.862.6-139.8-3.9111.8G393 K400 D515G393-R397 WeakPolarHBondContact O-CB 3.38Å; G393-R397 PolarHBondContact O-N 3.14Å; R397-K400 WeakPolarHBondContact O-CE 3.28Å; R397-K400 PolarHBondContact O-NZ 3.01Å; R397-D515 IonicContact NH1-OD1 2.68Å; R397-D515 PolarHBondContact NH1-OD1 3.07Å; R397-D515 VanDerWaalsContact NH1-OD1 3.09Å
398D92.8Very high94.6Very high84 Ų8425.4 Ų25.445%0.44913%0.125SC..THydrogen-bonded Turntrans-101.6-47-166.6-53.3-47000110.7F394F394-D398 HydrophobicContact CD2-CB 3.71Å; F394-D398 HydrophobicContact CE2-CB 3.9Å; F394-D398 WeakPolarHBondContact O-CA 3.24Å; F394-D398 WeakPolarHBondContact O-CB 3.16Å; F394-D398 PolarHBondContact O-N 3.49Å
399A93.4Very high94.2Very high32 Ų3226.3 Ų26.326%0.26413%0.134SC..SBendtrans-85-13.9-177.900000114.6L336 F394 L395 I401L336-A399 HydrophobicContact CD2-CB 4.21Å; F394-A399 HydrophobicContact CE1-CB 4.33Å; F394-A399 HydrophobicContact CZ-CB 4.42Å; F394-A399 PolarHBondContact O-N 3.34Å; L395-A399 HydrophobicContact CD2-CB 4.35Å; L395-A399 CarbonylContact O-C 3.5Å; A399-I401 VanDerWaalsContact C-N 3.26Å; A399-I401 HydrophobicContact CB-CD1 4.04Å; A399-I401 HydrophobicContact CB-CG1 4.4Å; A399-I401 WeakPolarHBondContact O-CG1 3.25Å; A399-I401 PolarHBondContact O-N 2.77Å
400K92.5Very high94.1Very high116 Ų11626.3 Ų26.350%0.50413%0.134SC..  trans50.743.2-174.6-49.9-59.8-177.4-168.80112.7L395 R397 R430L395-K400 WeakPolarHBondContact O-CA 3.23Å; L395-K400 PolarHBondContact O-N 2.95Å; R397-K400 WeakPolarHBondContact O-CE 3.28Å; R397-K400 PolarHBondContact O-NZ 3.01Å; K400-R430 HydrophobicContact CB-CB 4.48Å; K400-R430 WeakPolarHBondContact O-CG 3.4Å; K400-R430 PolarHBondContact O-N 2.74Å
401I93.6Very high94.1Very high9 Ų923.7 Ų23.75%0.04612%0.12CC..EExtended strand (participates in β ladder)trans-119.9143179.4-70.7163.1000109.2L336 L395 A399 F428L336-I401 HydrophobicContact CD2-CD1 4.27Å; L395-I401 CarbonylContact C-O 3.37Å; L395-I401 HydrophobicContact CD2-CB 4.44Å; L395-I401 HydrophobicContact CD2-CG2 4.47Å; L395-I401 PolarHBondContact O-N 3.13Å; A399-I401 VanDerWaalsContact C-N 3.26Å; A399-I401 HydrophobicContact CB-CD1 4.04Å; A399-I401 HydrophobicContact CB-CG1 4.4Å; A399-I401 WeakPolarHBondContact O-CG1 3.25Å; A399-I401 PolarHBondContact O-N 2.77Å; I401-F428 WeakPolarHBondContact CA-O 3.1Å
402V92.9Very high94.1Very high0 Ų023.7 Ų23.70%012%0.12CC..EExtended strand (participates in β ladder)trans-97.4128.6165.6-174.80000108.3N404 S427 F428 R430 D460 I463V402-N404 HydrophobicContact CG1-CB 4.13Å; V402-S427 WeakPolarHBondContact O-CA 2.99Å; V402-S427 WeakPolarHBondContact O-CB 3.31Å; V402-F428 HydrophobicContact CB-CD1 4.18Å; V402-F428 HydrophobicContact CB-CE1 3.68Å; V402-F428 HydrophobicContact CB-CE2 4.07Å; V402-F428 HydrophobicContact CB-CZ 3.62Å; V402-F428 HydrophobicContact CG1-CE1 3.79Å; V402-F428 HydrophobicContact CG1-CZ 3.82Å; V402-F428 HydrophobicContact CG2-CE1 4.4Å; V402-F428 HydrophobicContact CG2-CE2 3.94Å; V402-F428 HydrophobicContact CG2-CZ 3.82Å; V402-F428 PolarHBondContact N-O 3.21Å; V402-F428 PolarHBondContact O-N 3.39Å; V402-F428 VanDerWaalsContact O-N 3.14Å; V402-R430 HydrophobicContact CG2-CG 4.12Å; V402-D460 HydrophobicContact CG2-CB 3.56Å; V402-I463 HydrophobicContact CG1-CB 4.09Å; V402-I463 HydrophobicContact CG1-CD1 4.1Å; V402-I463 HydrophobicContact CG1-CG2 4.08Å
403H94.2Very high94.1Very high0 Ų023.9 Ų23.90%012%0.121CC..  trans-71.1-45.8-179.9-175.3-98.3000111.6L395 N405 V406 F422 G423 F424 S427 D464L395-H403 HydrophobicContact CD1-CB 3.98Å; H403-N405 VanDerWaalsContact ND1-C 3.35Å; H403-N405 PolarHBondContact ND1-N 3.19Å; H403-N405 PolarHBondContact O-N 3.32Å; H403-V406 HydrophobicContact CB-CG2 4.06Å; H403-V406 WeakPolarHBondContact ND1-CG2 3.41Å; H403-V406 PolarHBondContact ND1-N 2.88Å; H403-F422 PolarHBondContact CE1-O 3.47Å; H403-F422 VanDerWaalsContact CE1-O 3.27Å; H403-F422 PolarHBondContact NE2-O 2.92Å; H403-G423 PolarHBondContact CE1-O 3.13Å; H403-G423 PolarHBondContact NE2-O 3.1Å; H403-F424 AromaticContact CD2-CD1 3.64Å; H403-F424 AromaticContact CD2-CE1 3.54Å; H403-S427 WeakPolarHBondContact O-CA 3.37Å; H403-D464 WeakPolarHBondContact CB-OD1 3.43Å; H403-D464 PolarHBondContact N-OD1 3.21Å; H403-D464 PolarHBondContact N-OD2 3.04Å
404N92.7Very high94.1Very high17 Ų1724.3 Ų24.39%0.09112%0.123CC..  trans62.221172.4-159.131.6000115.1V402 N426 F428 L437 D464V402-N404 HydrophobicContact CG1-CB 4.13Å; N404-N426 HydrophobicContact CB-CB 4.49Å; N404-N426 WeakPolarHBondContact CB-O 3.38Å; N404-N426 PolarHBondContact ND2-O 3.37Å; N404-F428 HydrophobicContact CB-CD1 4.17Å; N404-F428 HydrophobicContact CB-CE1 3.76Å; N404-L437 WeakPolarHBondContact ND2-CD2 3.26Å; N404-D464 PolarHBondContact N-OD1 3.38Å
405N93.3Very high93.9Very high15 Ų1526.3 Ų26.38%0.0814%0.136CC..  trans-154.429.1179.3-168.329.4000112.4H403 C407 S410 G423 L441H403-N405 VanDerWaalsContact ND1-C 3.35Å; H403-N405 PolarHBondContact ND1-N 3.19Å; H403-N405 PolarHBondContact O-N 3.32Å; N405-C407 PolarHBondContact O-N 2.95Å; N405-S410 WeakPolarHBondContact O-CB 3.16Å; N405-S410 PolarHBondContact O-OG 3.44Å; N405-G423 PolarHBondContact ND2-O 3.12Å; N405-L441 WeakPolarHBondContact OD1-CD1 3.25Å
406V95.4Very high93.8Very high4 Ų430.3 Ų30.32%0.02416%0.155CC..  trans-71104.9-178.5-178.70000109.5V388 I392 H403 D464 G467 L471V388-V406 HydrophobicContact CG1-CG1 4.15Å; I392-V406 HydrophobicContact CD1-CG1 4Å; I392-V406 HydrophobicContact CD1-CG2 3.87Å; I392-V406 HydrophobicContact CG1-CG2 4.18Å; H403-V406 HydrophobicContact CB-CG2 4.06Å; H403-V406 WeakPolarHBondContact ND1-CG2 3.41Å; H403-V406 PolarHBondContact ND1-N 2.88Å; V406-D464 HydrophobicContact CG2-CB 4.24Å; V406-G467 CarbonylContact O-C 3.58Å; V406-L471 HydrophobicContact CG1-CD2 4.37Å
407C94.3Very high93.9Very high5 Ų529.7 Ų29.73%0.03415%0.151CC..SBendtrans-155.9176.3177.464.40000110.5N405 G409 S410 Y444N405-C407 PolarHBondContact O-N 2.95Å; C407-G409 PolarHBondContact O-N 3.4Å; C407-S410 PolarHBondContact N-OG 3.07Å; C407-S410 PolarHBondContact O-N 3.25Å; C407-S410 VanDerWaalsContact O-N 3.08Å; C407-S410 PolarHBondContact O-OG 3.03Å; C407-Y444 HydrophobicContact CB-CD1 4.04Å; C407-Y444 HydrophobicContact CB-CE1 3.78Å; C407-Y444 HydrophobicContact CB-CE2 4.37Å; C407-Y444 HydrophobicContact CB-CG 4.44Å
408I93.9Very high94.1Very high13 Ų1324.3 Ų24.37%0.06713%0.132CC..G310 helixtrans-56.9-32.9176.5-165.7169.9000112.7L364 E365 L368 S410 L411 L471 E474L364-I408 HydrophobicContact CD2-CG1 4.22Å; L364-I408 HydrophobicContact CG-CG1 4.32Å; E365-I408 HydrophobicContact CB-CD1 3.96Å; E365-I408 HydrophobicContact CB-CG1 4.27Å; E365-I408 HydrophobicContact CG-CD1 4.26Å; L368-I408 HydrophobicContact CD1-CD1 3.86Å; I408-S410 VanDerWaalsContact C-N 3.27Å; I408-S410 PolarHBondContact O-N 3.23Å; I408-L411 PolarHBondContact O-N 3.07Å; I408-L471 HydrophobicContact CB-CD1 4.34Å; I408-E474 HydrophobicContact CB-CB 4.49Å; I408-E474 PolarHBondContact N-OE2 3.2Å
409G91.5Very high94.4Very high19 Ų1920.4 Ų20.420%0.19611%0.111CC..G310 helixtrans-75.9-5.7179.800000114.8W288 C407W288-G409 WeakPolarHBondContact CH2-O 3.2Å; C407-G409 PolarHBondContact O-N 3.4Å
410S94.4Very high94.6Very high0 Ų019.5 Ų19.50%010%0.101CC..G310 helixtrans-104.710.7176.573.50000112.6N405 C407 I408 F422N405-S410 WeakPolarHBondContact O-CB 3.16Å; N405-S410 PolarHBondContact O-OG 3.44Å; C407-S410 PolarHBondContact N-OG 3.07Å; C407-S410 PolarHBondContact O-N 3.25Å; C407-S410 VanDerWaalsContact O-N 3.08Å; C407-S410 PolarHBondContact O-OG 3.03Å; I408-S410 VanDerWaalsContact C-N 3.27Å; I408-S410 PolarHBondContact O-N 3.23Å; S410-F422 WeakPolarHBondContact CB-O 3.41Å; S410-F422 CarbonylContact O-C 3.56Å; S410-F422 PolarHBondContact O-N 3.1Å; S410-F422 VanDerWaalsContact O-O 3.05Å
411L96.9Very high94.9Very high0 Ų014 Ų140%08%0.077CC..EExtended strand (participates in β ladder)trans-125.2140.6-170.3-67.8171.4000112.7L364 V388 I408 W419 L421 L471L364-L411 HydrophobicContact CB-CB 3.84Å; L364-L411 VanDerWaalsContact CB-O 3.31Å; L364-L411 WeakPolarHBondContact CB-O 3.26Å; L364-L411 HydrophobicContact CD2-CB 3.59Å; L364-L411 HydrophobicContact CD2-CD1 3.54Å; L364-L411 HydrophobicContact CD2-CG 4.22Å; L364-L411 HydrophobicContact CG-CB 4.35Å; L364-L411 PolarHBondContact N-O 3.41Å; V388-L411 HydrophobicContact CG2-CD1 3.87Å; V388-L411 HydrophobicContact CG2-CD2 3.54Å; V388-L411 HydrophobicContact CG2-CG 4.4Å; I408-L411 PolarHBondContact O-N 3.07Å; L411-W419 HydrophobicContact CD1-CE3 4.36Å; L411-L421 HydrophobicContact CD2-CB 4.37Å; L411-L421 HydrophobicContact CD2-CD1 3.84Å; L411-L471 HydrophobicContact CD1-CD1 3.53Å; L411-L471 HydrophobicContact CD1-CD2 3.4Å; L411-L471 HydrophobicContact CD1-CG 4.1Å
412F97Very high95Very high0 Ų013.7 Ų13.70%08%0.075CC..EExtended strand (participates in β ladder)trans-130.7159.9179-63.5-91.9000109.8W288 L296 F311 L342 A361 K362 P363 W419 K420 F422W288-F412 HydrophobicContact CE3-CE1 4.25Å; W288-F412 HydrophobicContact CE3-CZ 4.26Å; W288-F412 HydrophobicContact CH2-CE1 4.01Å; W288-F412 AromaticContact CH2-CE2 3.98Å; W288-F412 HydrophobicContact CH2-CE2 3.98Å; W288-F412 AromaticContact CH2-CZ 3.22Å; W288-F412 HydrophobicContact CH2-CZ 3.22Å; W288-F412 AromaticContact CZ2-CZ 3.86Å; W288-F412 HydrophobicContact CZ2-CZ 3.86Å; W288-F412 AromaticContact CZ3-CE1 3.79Å; W288-F412 HydrophobicContact CZ3-CE1 3.79Å; W288-F412 HydrophobicContact CZ3-CE2 4.36Å; W288-F412 AromaticContact CZ3-CZ 3.46Å; W288-F412 HydrophobicContact CZ3-CZ 3.46Å; W288-F412 VanDerWaalsContact CZ3-CZ 3.46Å; L296-F412 HydrophobicContact CD2-CE1 3.99Å; F311-F412 AromaticContact CE1-CE1 3.8Å; F311-F412 HydrophobicContact CE1-CE1 3.8Å; F311-F412 HydrophobicContact CE1-CE2 4.08Å; F311-F412 AromaticContact CE1-CZ 3.43Å; F311-F412 HydrophobicContact CE1-CZ 3.43Å; F311-F412 VanDerWaalsContact CE1-CZ 3.43Å; F311-F412 HydrophobicContact CZ-CD1 4.24Å; F311-F412 HydrophobicContact CZ-CD2 4.48Å; F311-F412 AromaticContact CZ-CE1 3.78Å; F311-F412 HydrophobicContact CZ-CE1 3.78Å; F311-F412 HydrophobicContact CZ-CE2 4.06Å; F311-F412 AromaticContact CZ-CZ 3.66Å; F311-F412 HydrophobicContact CZ-CZ 3.66Å; L342-F412 HydrophobicContact CD1-CB 4.49Å; L342-F412 HydrophobicContact CD2-CD2 4.19Å; L342-F412 HydrophobicContact CD2-CG 4.34Å; A361-F412 HydrophobicContact CB-CB 3.8Å; A361-F412 HydrophobicContact CB-CD1 4.14Å; A361-F412 HydrophobicContact CB-CG 4.21Å; K362-F412 CarbonylContact O-C 3.58Å; K362-F412 VanDerWaalsContact O-CA 3.27Å; K362-F412 WeakPolarHBondContact O-CA 3.26Å; P363-F412 HydrophobicContact CB-CE1 4.41Å; P363-F412 HydrophobicContact CG-CD1 4.43Å; P363-F412 HydrophobicContact CG-CE1 4.11Å; F412-W419 CarbonylContact O-C 3.55Å; F412-W419 WeakPolarHBondContact O-CA 3.31Å; F412-K420 PolarHBondContact N-O 3.04Å; F412-K420 PolarHBondContact O-N 3.33Å; F412-F422 HydrophobicContact CD2-CB 3.7Å; F412-F422 HydrophobicContact CD2-CG 4.45Å; F412-F422 HydrophobicContact CE2-CB 3.7Å; F412-F422 AromaticContact CE2-CD1 3.76Å; F412-F422 HydrophobicContact CE2-CD1 3.76Å; F412-F422 HydrophobicContact CE2-CG 4.13Å; F412-F422 HydrophobicContact CZ-CD1 4.39Å
413V97.1Very high95.1Very high4 Ų413.9 Ų13.92%0.0248%0.077CC..EExtended strand (participates in β ladder)trans-123.4125.7175.3-174.40000107.4K362 L364 Y367 D418 W419K362-V413 PolarHBondContact N-O 2.8Å; K362-V413 PolarHBondContact O-N 3.42Å; L364-V413 HydrophobicContact CD1-CG2 3.71Å; Y367-V413 HydrophobicContact CD1-CB 4.17Å; Y367-V413 HydrophobicContact CD1-CG1 4.04Å; Y367-V413 HydrophobicContact CD1-CG2 3.62Å; Y367-V413 HydrophobicContact CD2-CG1 4.28Å; Y367-V413 HydrophobicContact CE1-CG1 3.96Å; Y367-V413 HydrophobicContact CE1-CG2 4.2Å; Y367-V413 HydrophobicContact CE2-CG1 4.26Å; Y367-V413 HydrophobicContact CG-CB 4.12Å; Y367-V413 HydrophobicContact CG-CG1 4.16Å; Y367-V413 HydrophobicContact CG-CG2 3.93Å; V413-D418 WeakPolarHBondContact CA-O 3.43Å; V413-W419 HydrophobicContact CG2-CG 4.17Å
414N95.6Very high95.1Very high12 Ų1213.9 Ų13.96%0.0648%0.077CC..EExtended strand (participates in β ladder)trans-79.1175.1175.775.2-0.4000111.2E359 R360 Q416 G417 D418 K420E359-N414 HydrophobicContact CG-CB 4.42Å; E359-N414 VanDerWaalsContact OE2-CB 3.29Å; E359-N414 WeakPolarHBondContact OE2-CB 3.31Å; E359-N414 PolarHBondContact OE2-ND2 2.98Å; R360-N414 VanDerWaalsContact O-CA 3.31Å; R360-N414 WeakPolarHBondContact O-CA 3.34Å; R360-N414 WeakPolarHBondContact O-CB 3.3Å; N414-Q416 PolarHBondContact O-N 3.47Å; N414-Q416 WeakPolarHBondContact OD1-CB 3.45Å; N414-Q416 PolarHBondContact OD1-N 3.34Å; N414-Q416 VanDerWaalsContact OD1-N 3.1Å; N414-G417 PolarHBondContact O-N 2.96Å; N414-G417 PolarHBondContact OD1-N 3.49Å; N414-D418 PolarHBondContact N-O 3.15Å; N414-D418 WeakPolarHBondContact OD1-CB 3.32Å; N414-D418 PolarHBondContact OD1-N 2.97Å; N414-D418 PolarHBondContact OD1-O 3.08Å; N414-K420 WeakPolarHBondContact ND2-CE 3.29Å
415D92.9Very high95.2Very high84 Ų8413.6 Ų13.645%0.4498%0.075SC..THydrogen-bonded Turntrans-62.4-18.6-177.9-65.4-25.8000113.7R360 G417 N571R360-D415 WeakPolarHBondContact CB-OD2 3.42Å; R360-D415 VanDerWaalsContact CG-OD1 3.26Å; R360-D415 WeakPolarHBondContact CG-OD1 3.44Å; R360-D415 VanDerWaalsContact CG-OD2 3.22Å; R360-D415 WeakPolarHBondContact CG-OD2 3.48Å; D415-G417 VanDerWaalsContact C-N 3.28Å; D415-N571 WeakPolarHBondContact O-CB 3.45Å; D415-N571 PolarHBondContact O-ND2 2.86Å
416Q93.6Very high95.2Very high84 Ų8413.6 Ų13.639%0.3938%0.075SC..THydrogen-bonded Turntrans-82.4-5.5176.3-60.2-173.4-1200113.1N414 D418 M568 K572N414-Q416 PolarHBondContact O-N 3.47Å; N414-Q416 WeakPolarHBondContact OD1-CB 3.45Å; N414-Q416 PolarHBondContact OD1-N 3.34Å; N414-Q416 VanDerWaalsContact OD1-N 3.1Å; Q416-D418 VanDerWaalsContact C-N 3.35Å; Q416-M568 WeakPolarHBondContact O-CG 3.44Å; Q416-K572 HydrophobicContact CB-CB 4.05Å; Q416-K572 HydrophobicContact CB-CD 4.27Å; Q416-K572 HydrophobicContact CB-CG 4.31Å
417G93.4Very high95.1Very high3 Ų314 Ų143%0.0318%0.078CC..SBendtrans82.710.8-175.800000114.1N414 D415N414-G417 PolarHBondContact O-N 2.96Å; N414-G417 PolarHBondContact OD1-N 3.49Å; D415-G417 VanDerWaalsContact C-N 3.28Å
418D95.5Very high95Very high10 Ų1014.5 Ų14.55%0.0538%0.08CC..  trans-85.1131.8179.4-67.4-30.6000110.8W383 H387 V413 N414 Q416 K572W383-D418 PolarHBondContact NE1-OD1 3.33Å; H387-D418 IonicContact CE1-OD1 3.38Å; H387-D418 PolarHBondContact CE1-OD1 2.95Å; V413-D418 WeakPolarHBondContact CA-O 3.43Å; N414-D418 PolarHBondContact N-O 3.15Å; N414-D418 WeakPolarHBondContact OD1-CB 3.32Å; N414-D418 PolarHBondContact OD1-N 2.97Å; N414-D418 PolarHBondContact OD1-O 3.08Å; Q416-D418 VanDerWaalsContact C-N 3.35Å; D418-K572 VanDerWaalsContact CG-NZ 3.26Å; D418-K572 IonicContact OD1-NZ 3.24Å; D418-K572 PolarHBondContact OD1-NZ 3.14Å; D418-K572 IonicContact OD2-NZ 3.87Å; D418-K572 PolarHBondContact OD2-NZ 3.3Å; D418-K572 VanDerWaalsContact OD2-NZ 3.09Å
419W97.8Very high94.8Very high1 Ų115.8 Ų15.80%0.0049%0.089CC..EExtended strand (participates in β ladder)trans-79.3135.7179.2-68.133.4000109.2L364 Y367 L368 G384 H387 V388 L411 F412 V413 L475L364-W419 HydrophobicContact CD1-CD2 3.78Å; L364-W419 HydrophobicContact CD1-CE3 3.92Å; L364-W419 HydrophobicContact CD1-CH2 3.62Å; L364-W419 HydrophobicContact CD1-CZ2 3.45Å; L364-W419 VanDerWaalsContact CD1-CZ2 3.45Å; L364-W419 HydrophobicContact CD1-CZ3 3.85Å; L364-W419 HydrophobicContact CD2-CD2 4.35Å; L364-W419 HydrophobicContact CD2-CE3 3.66Å; L364-W419 HydrophobicContact CD2-CH2 3.85Å; L364-W419 HydrophobicContact CD2-CZ3 3.38Å; L364-W419 HydrophobicContact CG-CE3 4.46Å; L364-W419 HydrophobicContact CG-CH2 4.32Å; L364-W419 HydrophobicContact CG-CZ3 4.26Å; Y367-W419 AromaticContact CE1-NE1 3.95Å; L368-W419 HydrophobicContact CD2-CH2 4.32Å; L368-W419 HydrophobicContact CD2-CZ2 4.21Å; G384-W419 VanDerWaalsContact CA-CG 3.46Å; H387-W419 HydrophobicContact CB-CB 4.18Å; H387-W419 PolarHBondContact ND1-N 3.04Å; H387-W419 PolarHBondContact ND1-O 2.9Å; V388-W419 HydrophobicContact CG2-CE3 4.25Å; L411-W419 HydrophobicContact CD1-CE3 4.36Å; F412-W419 CarbonylContact O-C 3.55Å; F412-W419 WeakPolarHBondContact O-CA 3.31Å; V413-W419 HydrophobicContact CG2-CG 4.17Å; W419-L475 HydrophobicContact CH2-CD1 3.74Å; W419-L475 HydrophobicContact CH2-CD2 3.58Å; W419-L475 HydrophobicContact CH2-CG 4.33Å; W419-L475 HydrophobicContact CZ3-CD1 3.83Å; W419-L475 HydrophobicContact CZ3-CD2 3.83Å; W419-L475 HydrophobicContact CZ3-CG 4.5Å
420K98.1Very high94.5Very high14 Ų1418.6 Ų18.66%0.0619%0.094CC..EExtended strand (participates in β ladder)trans-127.6127.2-173.8-56.6-58.8-176.5-168.20109.8P339 D340 L342 E359 F412 N414P339-K420 WeakPolarHBondContact O-CD 3.49Å; P339-K420 PolarHBondContact O-NZ 2.97Å; D340-K420 WeakPolarHBondContact O-CA 3.38Å; L342-K420 HydrophobicContact CB-CB 3.94Å; L342-K420 HydrophobicContact CD1-CB 3.93Å; L342-K420 HydrophobicContact CD1-CG 4.1Å; E359-K420 WeakPolarHBondContact OE1-CE 3.28Å; F412-K420 PolarHBondContact N-O 3.04Å; F412-K420 PolarHBondContact O-N 3.33Å; N414-K420 WeakPolarHBondContact ND2-CE 3.29Å
421L98.3Very high93.9Very high1 Ų121.8 Ų21.81%0.00513%0.127CC..EExtended strand (participates in β ladder)trans-77.8130.3172.9-173.263.8000110.9D340 I341 L342 A391 L395 L411 F424D340-L421 PolarHBondContact O-N 3.39Å; I341-L421 HydrophobicContact CG1-CB 4.49Å; L342-L421 PolarHBondContact N-O 3.48Å; A391-L421 HydrophobicContact CB-CB 4.01Å; A391-L421 HydrophobicContact CB-CD2 3.91Å; L395-L421 HydrophobicContact CD1-CD2 3.74Å; L411-L421 HydrophobicContact CD2-CB 4.37Å; L411-L421 HydrophobicContact CD2-CD1 3.84Å; L421-F424 HydrophobicContact CG-CZ 4.46Å
422F96.7Very high93.2Very high2 Ų226.3 Ų26.31%0.00915%0.151CC..  trans-136.9-163.1170.1-170.4-114.2000108F311 C329 I333 L342 I356 H403 S410 F412 F424F311-F422 HydrophobicContact CD1-CD1 4.35Å; F311-F422 AromaticContact CD1-CE1 3.71Å; F311-F422 HydrophobicContact CD1-CE1 3.71Å; F311-F422 HydrophobicContact CD1-CZ 4.35Å; F311-F422 HydrophobicContact CD2-CE1 4.38Å; F311-F422 HydrophobicContact CD2-CZ 4.33Å; F311-F422 AromaticContact CE1-CD1 3.91Å; F311-F422 HydrophobicContact CE1-CD1 3.91Å; F311-F422 AromaticContact CE1-CE1 3.74Å; F311-F422 HydrophobicContact CE1-CE1 3.74Å; F311-F422 HydrophobicContact CE2-CE1 4.42Å; F311-F422 HydrophobicContact CG-CE1 4.04Å; F311-F422 HydrophobicContact CG-CZ 4.21Å; F311-F422 HydrophobicContact CZ-CD1 4.07Å; F311-F422 HydrophobicContact CZ-CE1 4.1Å; C329-F422 VanDerWaalsContact SG-CZ 3.59Å; I333-F422 HydrophobicContact CB-CE2 4.23Å; I333-F422 HydrophobicContact CD1-CD2 3.75Å; I333-F422 HydrophobicContact CD1-CE2 3.96Å; I333-F422 HydrophobicContact CG1-CD2 4.18Å; I333-F422 HydrophobicContact CG1-CE2 3.87Å; L342-F422 HydrophobicContact CB-CB 4.15Å; L342-F422 HydrophobicContact CB-CD2 4.3Å; L342-F422 HydrophobicContact CD2-CB 4.04Å; L342-F422 HydrophobicContact CD2-CD2 4.03Å; L342-F422 HydrophobicContact CD2-CG 3.98Å; I356-F422 HydrophobicContact CD1-CZ 4.23Å; H403-F422 PolarHBondContact CE1-O 3.47Å; H403-F422 VanDerWaalsContact CE1-O 3.27Å; H403-F422 PolarHBondContact NE2-O 2.92Å; S410-F422 WeakPolarHBondContact CB-O 3.41Å; S410-F422 CarbonylContact O-C 3.56Å; S410-F422 PolarHBondContact O-N 3.1Å; S410-F422 VanDerWaalsContact O-O 3.05Å; F412-F422 HydrophobicContact CD2-CB 3.7Å; F412-F422 HydrophobicContact CD2-CG 4.45Å; F412-F422 HydrophobicContact CE2-CB 3.7Å; F412-F422 AromaticContact CE2-CD1 3.76Å; F412-F422 HydrophobicContact CE2-CD1 3.76Å; F412-F422 HydrophobicContact CE2-CG 4.13Å; F412-F422 HydrophobicContact CZ-CD1 4.39Å; F422-F424 HydrophobicContact CD2-CD2 4.32Å
423G94Very high92.4Very high3 Ų332.3 Ų32.33%0.03118%0.179CC..  trans84.135.3174.900000114.1H403 N405 E425H403-G423 PolarHBondContact CE1-O 3.13Å; H403-G423 PolarHBondContact NE2-O 3.1Å; N405-G423 PolarHBondContact ND2-O 3.12Å; G423-E425 WeakPolarHBondContact CA-OE2 3.28Å; G423-E425 PolarHBondContact O-N 3.37Å
424F95.8Very high91.8Very high0 Ų032.9 Ų32.90%018%0.182CC..G310 helixtrans-76.411-177.4-66.4-81.5000115R332 I333 L336 I341 L395 H403 L421 F422 N426 S427R332-F424 HydrophobicContact CB-CB 3.92Å; R332-F424 HydrophobicContact CB-CD1 4.42Å; R332-F424 HydrophobicContact CB-CG 4.19Å; R332-F424 HydrophobicContact CG-CB 4.45Å; I333-F424 HydrophobicContact CD1-CD2 4.01Å; I333-F424 HydrophobicContact CD1-CE2 3.75Å; L336-F424 HydrophobicContact CD1-CD1 3.88Å; L336-F424 HydrophobicContact CD1-CE1 3.39Å; L336-F424 HydrophobicContact CD1-CE2 4.15Å; L336-F424 HydrophobicContact CD1-CG 4.45Å; L336-F424 HydrophobicContact CD1-CZ 3.56Å; I341-F424 HydrophobicContact CD1-CZ 4.17Å; I341-F424 HydrophobicContact CG1-CZ 4.41Å; I341-F424 HydrophobicContact CG2-CE2 3.96Å; I341-F424 HydrophobicContact CG2-CZ 3.98Å; L395-F424 HydrophobicContact CD1-CE1 3.92Å; L395-F424 HydrophobicContact CD1-CZ 4.49Å; L395-F424 HydrophobicContact CD2-CE1 4.03Å; H403-F424 AromaticContact CD2-CD1 3.64Å; H403-F424 AromaticContact CD2-CE1 3.54Å; L421-F424 HydrophobicContact CG-CZ 4.46Å; F422-F424 HydrophobicContact CD2-CD2 4.32Å; F424-N426 PolarHBondContact O-N 3.44Å; F424-S427 WeakPolarHBondContact O-CB 3Å; F424-S427 PolarHBondContact O-N 2.95Å; F424-S427 PolarHBondContact O-OG 3.32Å
425E94.5Very high91.2Very high12 Ų1236 Ų366%0.05620%0.199CC..G310 helixtrans-58.4-33.6-177.3-64.889.4171.200113.2I293 F294 R325 C329 G423I293-E425 HydrophobicContact CD1-CB 4.38Å; I293-E425 HydrophobicContact CD1-CG 4.1Å; F294-E425 WeakPolarHBondContact CD2-OE1 3.44Å; F294-E425 HydrophobicContact CE2-CG 4.13Å; R325-E425 HydrophobicContact CB-CB 4.07Å; R325-E425 WeakPolarHBondContact CG-O 3.3Å; C329-E425 HydrophobicContact CB-CG 4.04Å; G423-E425 WeakPolarHBondContact CA-OE2 3.28Å; G423-E425 PolarHBondContact O-N 3.37Å
426N92.4Very high90.8Very high15 Ų1534.1 Ų34.18%0.0819%0.191CC..G310 helixtrans-1067.4-177.9-57.7-52.7000113.1R325 N404 F424 L437 L441R325-N426 WeakPolarHBondContact CD-OD1 3.48Å; R325-N426 PolarHBondContact NE-OD1 2.84Å; R325-N426 VanDerWaalsContact NE-OD1 3.16Å; N404-N426 HydrophobicContact CB-CB 4.49Å; N404-N426 WeakPolarHBondContact CB-O 3.38Å; N404-N426 PolarHBondContact ND2-O 3.37Å; F424-N426 PolarHBondContact O-N 3.44Å; N426-L437 HydrophobicContact CB-CD2 3.86Å; N426-L441 WeakPolarHBondContact ND2-CD1 3.46Å
427S93.5Very high90.5Very high13 Ų1330.8 Ų30.89%0.09118%0.176CC..  trans-74.2147.5-177.268.80000112.4R332 V402 H403 F424R332-S427 WeakPolarHBondContact CG-OG 3.26Å; V402-S427 WeakPolarHBondContact O-CA 2.99Å; V402-S427 WeakPolarHBondContact O-CB 3.31Å; H403-S427 WeakPolarHBondContact O-CA 3.37Å; F424-S427 WeakPolarHBondContact O-CB 3Å; F424-S427 PolarHBondContact O-N 2.95Å; F424-S427 PolarHBondContact O-OG 3.32Å
428F91.4Very high90.3Very high14 Ų1431.6 Ų31.66%0.06118%0.181CC..EExtended strand (participates in β ladder)trans-147.1151.5-177.761.5-81000111.8I401 V402 N404 P434 I463I401-F428 WeakPolarHBondContact CA-O 3.1Å; V402-F428 HydrophobicContact CB-CD1 4.18Å; V402-F428 HydrophobicContact CB-CE1 3.68Å; V402-F428 HydrophobicContact CB-CE2 4.07Å; V402-F428 HydrophobicContact CB-CZ 3.62Å; V402-F428 HydrophobicContact CG1-CE1 3.79Å; V402-F428 HydrophobicContact CG1-CZ 3.82Å; V402-F428 HydrophobicContact CG2-CE1 4.4Å; V402-F428 HydrophobicContact CG2-CE2 3.94Å; V402-F428 HydrophobicContact CG2-CZ 3.82Å; V402-F428 PolarHBondContact N-O 3.21Å; V402-F428 PolarHBondContact O-N 3.39Å; V402-F428 VanDerWaalsContact O-N 3.14Å; N404-F428 HydrophobicContact CB-CD1 4.17Å; N404-F428 HydrophobicContact CB-CE1 3.76Å; F428-P434 HydrophobicContact CD1-CB 3.64Å; F428-P434 HydrophobicContact CD2-CB 4.15Å; F428-P434 HydrophobicContact CE1-CB 3.67Å; F428-P434 HydrophobicContact CE1-CG 4.31Å; F428-P434 HydrophobicContact CE2-CB 4.2Å; F428-P434 HydrophobicContact CE2-CG 4.34Å; F428-P434 HydrophobicContact CG-CB 3.9Å; F428-P434 HydrophobicContact CZ-CB 3.97Å; F428-P434 HydrophobicContact CZ-CG 4.15Å; F428-I463 HydrophobicContact CZ-CD1 4.21Å
429P90.5Very high89.8Confident40 Ų4037.3 Ų37.326%0.2621%0.211SC..EExtended strand (participates in β ladder)trans-62146.8172-20.634.5000111.5R332 G431 D432R332-P429 VanDerWaalsContact NH2-CG 3.32Å; P429-G431 PolarHBondContact O-N 3.41Å; P429-D432 HydrophobicContact CB-CB 4.33Å; P429-D432 WeakPolarHBondContact CD-OD2 3.5Å; P429-D432 VanDerWaalsContact CG-OD2 3.24Å; P429-D432 WeakPolarHBondContact CG-OD2 3.38Å; P429-D432 WeakPolarHBondContact O-CB 3.38Å; P429-D432 PolarHBondContact O-N 2.88Å
430R85.6Confident89.3Confident79 Ų7941.1 Ų41.130%0.29823%0.229SC..THydrogen-bonded Turntrans-60.1135.9172.7-74.8-170.4168.7-164-10.1111.2T396 K400 V402 D432 D460T396-R430 PolarHBondContact O-NH1 2.86Å; T396-R430 PolarHBondContact OG1-NH2 3.32Å; K400-R430 HydrophobicContact CB-CB 4.48Å; K400-R430 WeakPolarHBondContact O-CG 3.4Å; K400-R430 PolarHBondContact O-N 2.74Å; V402-R430 HydrophobicContact CG2-CG 4.12Å; R430-D432 VanDerWaalsContact C-N 3.28Å; R430-D432 PolarHBondContact O-N 3.39Å; R430-D460 VanDerWaalsContact CA-OD2 3.24Å; R430-D460 WeakPolarHBondContact CA-OD2 3.47Å; R430-D460 WeakPolarHBondContact CB-OD2 3.4Å; R430-D460 HydrophobicContact CG-CB 3.88Å; R430-D460 VanDerWaalsContact CG-OD2 3.26Å; R430-D460 WeakPolarHBondContact CG-OD2 3.23Å
431G80.6Confident88.9Confident67 Ų6741 Ų4169%0.69123%0.229SC*.THydrogen-bonded Turntrans84.4-15.7-17600000115.7P429 D460P429-G431 PolarHBondContact O-N 3.41Å; G431-D460 PolarHBondContact N-OD2 3.41Å
432D83.7Confident88.5Confident94 Ų9449.1 Ų49.150%0.50326%0.259SS..SBendtrans-79.8156.3174.3-75.20.6000111.4P429 R430 P434P429-D432 HydrophobicContact CB-CB 4.33Å; P429-D432 WeakPolarHBondContact CD-OD2 3.5Å; P429-D432 VanDerWaalsContact CG-OD2 3.24Å; P429-D432 WeakPolarHBondContact CG-OD2 3.38Å; P429-D432 WeakPolarHBondContact O-CB 3.38Å; P429-D432 PolarHBondContact O-N 2.88Å; R430-D432 VanDerWaalsContact C-N 3.28Å; R430-D432 PolarHBondContact O-N 3.39Å; D432-P434 WeakPolarHBondContact O-CD 3.36Å
433E80Confident88.3Confident127 Ų12751.1 Ų51.159%0.59327%0.269SS*.PPolyproline II helixtrans-79.4121.1175-169.1172.2176.800110.6R454E433-R454 IonicContact OE1-CZ 2.98Å; E433-R454 IonicContact OE1-NE 2.65Å; E433-R454 IonicContact OE1-NH1 2.7Å; E433-R454 PolarHBondContact OE1-NH1 3.38Å
434P83.2Confident88.2Confident15 Ų1552.6 Ų52.610%0.09727%0.274CS..PPolyproline II helixtrans-70.6149.1179.528-34.2000111.9F428 D432F428-P434 HydrophobicContact CD1-CB 3.64Å; F428-P434 HydrophobicContact CD2-CB 4.15Å; F428-P434 HydrophobicContact CE1-CB 3.67Å; F428-P434 HydrophobicContact CE1-CG 4.31Å; F428-P434 HydrophobicContact CE2-CB 4.2Å; F428-P434 HydrophobicContact CE2-CG 4.34Å; F428-P434 HydrophobicContact CG-CB 3.9Å; F428-P434 HydrophobicContact CZ-CB 3.97Å; F428-P434 HydrophobicContact CZ-CG 4.15Å; D432-P434 WeakPolarHBondContact O-CD 3.36Å
435L83.1Confident88Confident77 Ų7753.9 Ų53.940%0.40328%0.279SS..PPolyproline II helixtrans-60.3145.4164.6-68.2173.9000109.7L324 R325 L437L324-L435 HydrophobicContact CD2-CD1 3.8Å; L324-L435 HydrophobicContact CD2-CD2 4.1Å; L324-L435 HydrophobicContact CG-CD1 4.25Å; R325-L435 HydrophobicContact CG-CD1 4.37Å; L435-L437 PolarHBondContact O-N 3.46Å
436P85.4Confident87.8Confident45 Ų4553.6 Ų53.629%0.29228%0.278SS..PPolyproline II helixtrans-51.4131171.8-26.635000111.4R325R325-P436 PolarHBondContact NH2-O 3.36Å
437L87.8Confident87.6Confident15 Ų1556.7 Ų56.78%0.07930%0.299CS..PPolyproline II helixtrans-67.6141.4177.5-78.3169.2000111.3N404 N426 L435 W445 G453N404-L437 WeakPolarHBondContact ND2-CD2 3.26Å; N426-L437 HydrophobicContact CB-CD2 3.86Å; L435-L437 PolarHBondContact O-N 3.46Å; L437-W445 HydrophobicContact CB-CZ2 3.91Å; L437-W445 VanDerWaalsContact CB-NE1 3.35Å; L437-W445 HydrophobicContact CD1-CG 4.26Å; L437-W445 WeakPolarHBondContact O-CZ2 3.22Å; L437-G453 PolarHBondContact N-O 3.38Å
438P88.2Confident87.3Confident19 Ų1957.9 Ų57.912%0.12330%0.303CS..PPolyproline II helixtrans-59.6141174.2-24.633.1000113.6H440 L441P438-H440 WeakPolarHBondContact CB-CE1 3.47Å; P438-H440 WeakPolarHBondContact CB-ND1 3.39Å; P438-H440 PolarHBondContact O-N 3.12Å; P438-H440 VanDerWaalsContact O-N 3.15Å; P438-L441 HydrophobicContact CG-CD1 4.38Å; P438-L441 PolarHBondContact O-N 3.32Å
439N86.4Confident87Confident131 Ų13158.3 Ų58.370%0.70131%0.307SS*.G310 helixtrans-60.1-26.1-179.8-77.3-28.3000114.5L441 R442N439-L441 PolarHBondContact O-N 2.92Å; N439-R442 WeakPolarHBondContact O-CB 3.35Å; N439-R442 PolarHBondContact O-N 3.43Å
440H86.3Confident86.3Confident81 Ų8161 Ų6138%0.37532%0.315SS..G310 helixtrans-71.8-12177.669.9-95.8000113.1V291 P438 Q443V291-H440 HydrophobicContact CG1-CB 4.02Å; P438-H440 WeakPolarHBondContact CB-CE1 3.47Å; P438-H440 WeakPolarHBondContact CB-ND1 3.39Å; P438-H440 PolarHBondContact O-N 3.12Å; P438-H440 VanDerWaalsContact O-N 3.15Å; H440-Q443 PolarHBondContact O-NE2 2.98Å; H440-Q443 PolarHBondContact O-OE1 3.43Å
441L89.6Confident85.6Confident12 Ų1263.2 Ų63.26%0.06334%0.344CS..G310 helixtrans-99.27.2174.7-59.5179.8000112.7N405 N426 P438 N439 Q443 Y444 W445N405-L441 WeakPolarHBondContact OD1-CD1 3.25Å; N426-L441 WeakPolarHBondContact ND2-CD1 3.46Å; P438-L441 HydrophobicContact CG-CD1 4.38Å; P438-L441 PolarHBondContact O-N 3.32Å; N439-L441 PolarHBondContact O-N 2.92Å; L441-Q443 PolarHBondContact O-N 2.95Å; L441-Q443 VanDerWaalsContact O-N 3.08Å; L441-Y444 HydrophobicContact CB-CD2 4.2Å; L441-Y444 HydrophobicContact CD2-CD2 4.04Å; L441-Y444 HydrophobicContact CD2-CE2 4.21Å; L441-Y444 WeakPolarHBondContact O-CB 3.15Å; L441-Y444 PolarHBondContact O-N 3.48Å; L441-W445 PolarHBondContact O-NE1 3.44Å
442R90.4Very high85.2Confident170 Ų17064 Ų6464%0.64233%0.332SS*.G310 helixtrans-55.9-32.1-170.9-176.1174.5-176.3-175.92.4114.1N439 Y444 W445N439-R442 WeakPolarHBondContact O-CB 3.35Å; N439-R442 PolarHBondContact O-N 3.43Å; R442-Y444 PolarHBondContact O-N 2.91Å; R442-W445 HydrophobicContact CB-CD2 4.33Å; R442-W445 HydrophobicContact CB-CE3 4.5Å; R442-W445 HydrophobicContact CB-CH2 4.38Å; R442-W445 HydrophobicContact CB-CZ2 4.2Å; R442-W445 HydrophobicContact CG-CD2 4.2Å; R442-W445 HydrophobicContact CG-CE3 3.93Å; R442-W445 HydrophobicContact CG-CH2 4.26Å; R442-W445 HydrophobicContact CG-CZ3 3.97Å; R442-W445 PolarHBondContact O-N 3.42Å
443Q91.6Very high84.5Confident45 Ų4559.7 Ų59.721%0.2131%0.309CS..G310 helixtrans-65.5-21.1176.762.3-84.510.300113.9H440 L441 L480H440-Q443 PolarHBondContact O-NE2 2.98Å; H440-Q443 PolarHBondContact O-OE1 3.43Å; L441-Q443 PolarHBondContact O-N 2.95Å; L441-Q443 VanDerWaalsContact O-N 3.08Å; Q443-L480 HydrophobicContact CB-CD2 3.99Å; Q443-L480 HydrophobicContact CB-CG 4.25Å; Q443-L480 HydrophobicContact CG-CB 4.15Å; Q443-L480 HydrophobicContact CG-CD2 4.18Å; Q443-L480 HydrophobicContact CG-CG 4.32Å; Q443-L480 WeakPolarHBondContact CG-O 3.15Å; Q443-L480 VanDerWaalsContact O-CD2 3.23Å; Q443-L480 WeakPolarHBondContact O-CD2 3.49Å
444Y92.6Very high84.1Confident34 Ų3458.2 Ų58.213%0.13330%0.298CS..G310 helixtrans-95.7-4-179.1-54.9-70.1000113.4C407 L441 R442 P446 C470 E474 L480C407-Y444 HydrophobicContact CB-CD1 4.04Å; C407-Y444 HydrophobicContact CB-CE1 3.78Å; C407-Y444 HydrophobicContact CB-CE2 4.37Å; C407-Y444 HydrophobicContact CB-CG 4.44Å; L441-Y444 HydrophobicContact CB-CD2 4.2Å; L441-Y444 HydrophobicContact CD2-CD2 4.04Å; L441-Y444 HydrophobicContact CD2-CE2 4.21Å; L441-Y444 WeakPolarHBondContact O-CB 3.15Å; L441-Y444 PolarHBondContact O-N 3.48Å; R442-Y444 PolarHBondContact O-N 2.91Å; Y444-P446 WeakPolarHBondContact O-CD 3.36Å; Y444-C470 HydrophobicContact CD1-CB 4.07Å; Y444-E474 WeakPolarHBondContact CE1-OE1 3.42Å; Y444-E474 VanDerWaalsContact CZ-OE1 3.28Å; Y444-E474 PolarHBondContact OH-OE1 3.13Å; Y444-L480 HydrophobicContact CD1-CD2 4.22Å; Y444-L480 HydrophobicContact CE1-CB 3.85Å; Y444-L480 HydrophobicContact CE1-CD2 4.27Å
445W90.7Very high83.3Confident26 Ų2658.6 Ų58.610%0.09830%0.301CS..SBendtrans-69.4127.4-177.4-63.6-1.6000110.5L437 L441 R442 T449L437-W445 HydrophobicContact CB-CZ2 3.91Å; L437-W445 VanDerWaalsContact CB-NE1 3.35Å; L437-W445 HydrophobicContact CD1-CG 4.26Å; L437-W445 WeakPolarHBondContact O-CZ2 3.22Å; L441-W445 PolarHBondContact O-NE1 3.44Å; R442-W445 HydrophobicContact CB-CD2 4.33Å; R442-W445 HydrophobicContact CB-CE3 4.5Å; R442-W445 HydrophobicContact CB-CH2 4.38Å; R442-W445 HydrophobicContact CB-CZ2 4.2Å; R442-W445 HydrophobicContact CG-CD2 4.2Å; R442-W445 HydrophobicContact CG-CE3 3.93Å; R442-W445 HydrophobicContact CG-CH2 4.26Å; R442-W445 HydrophobicContact CG-CZ3 3.97Å; R442-W445 PolarHBondContact O-N 3.42Å; W445-T449 HydrophobicContact CB-CG2 4.31Å; W445-T449 HydrophobicContact CD2-CG2 4.38Å; W445-T449 HydrophobicContact CE3-CG2 4.32Å; W445-T449 HydrophobicContact CG-CG2 4.39Å
446P90.6Very high82.5Confident7 Ų758.7 Ų58.75%0.04530%0.302CS..  trans-54.1146.1170.1-25.733.2000111.7Y444 E448 T449 I463 Y466Y444-P446 WeakPolarHBondContact O-CD 3.36Å; P446-E448 HydrophobicContact CB-CG 4.42Å; P446-E448 WeakPolarHBondContact CB-OE1 3.27Å; P446-E448 VanDerWaalsContact CB-OE2 3.32Å; P446-E448 WeakPolarHBondContact CB-OE2 3.45Å; P446-E448 PolarHBondContact O-N 2.65Å; P446-T449 WeakPolarHBondContact CD-OG1 3.49Å; P446-T449 WeakPolarHBondContact O-CB 3.41Å; P446-T449 PolarHBondContact O-N 2.79Å; P446-T449 PolarHBondContact O-OG1 3.5Å; P446-I463 HydrophobicContact CG-CG2 4.21Å; P446-Y466 HydrophobicContact CB-CD1 4.05Å; P446-Y466 HydrophobicContact CB-CG 4.16Å; P446-Y466 HydrophobicContact CG-CD1 3.76Å; P446-Y466 HydrophobicContact CG-CE1 4.48Å; P446-Y466 HydrophobicContact CG-CG 4.11Å
447P88.6Confident81.4Confident80 Ų8064.7 Ų64.752%0.51932%0.324SS..THydrogen-bonded Turntrans-55.6-25.7-176.9-28.836.2000115.9T449 Y466P447-T449 VanDerWaalsContact C-N 3.32Å; P447-Y466 HydrophobicContact CG-CE2 4.32Å
448E86.7Confident80Confident38 Ų3870.3 Ų70.318%0.17835%0.354CS..THydrogen-bonded Turntrans-82.3-4.7177.470-81.1-166.100114.2P446 H450 P508 R511P446-E448 HydrophobicContact CB-CG 4.42Å; P446-E448 WeakPolarHBondContact CB-OE1 3.27Å; P446-E448 VanDerWaalsContact CB-OE2 3.32Å; P446-E448 WeakPolarHBondContact CB-OE2 3.45Å; P446-E448 PolarHBondContact O-N 2.65Å; E448-H450 PolarHBondContact O-N 3.06Å; E448-P508 HydrophobicContact CB-CG 4.28Å; E448-P508 HydrophobicContact CG-CG 3.76Å; E448-R511 VanDerWaalsContact CD-NH2 3.34Å; E448-R511 IonicContact OE1-CZ 3.64Å; E448-R511 IonicContact OE1-NH1 3.84Å; E448-R511 PolarHBondContact OE1-NH1 2.84Å; E448-R511 IonicContact OE1-NH2 2.69Å; E448-R511 PolarHBondContact OE1-NH2 3.08Å; E448-R511 IonicContact OE2-CZ 2.69Å; E448-R511 IonicContact OE2-NH1 2.94Å; E448-R511 IonicContact OE2-NH2 2.84Å; E448-R511 PolarHBondContact OE2-NH2 3.4Å
449T86.2Confident79.1Confident22 Ų2272 Ų7214%0.13536%0.362CS..SBendtrans-65.1131175-48.60000109.2W445 P446 P447 R454W445-T449 HydrophobicContact CB-CG2 4.31Å; W445-T449 HydrophobicContact CD2-CG2 4.38Å; W445-T449 HydrophobicContact CE3-CG2 4.32Å; W445-T449 HydrophobicContact CG-CG2 4.39Å; P446-T449 WeakPolarHBondContact CD-OG1 3.49Å; P446-T449 WeakPolarHBondContact O-CB 3.41Å; P446-T449 PolarHBondContact O-N 2.79Å; P446-T449 PolarHBondContact O-OG1 3.5Å; P447-T449 VanDerWaalsContact C-N 3.32Å; T449-R454 WeakPolarHBondContact CG2-O 3.07Å
450H74.9Confident78.4Confident96 Ų9667.2 Ų67.244%0.44434%0.336SS..  trans-59.7156.6175.2-68.9-69.5000111.2E448 N452 G453 R454E448-H450 PolarHBondContact O-N 3.06Å; H450-N452 WeakPolarHBondContact CB-OD1 3.49Å; H450-N452 PolarHBondContact O-N 2.96Å; H450-G453 PolarHBondContact O-N 3Å; H450-R454 WeakPolarHBondContact CB-O 3.23Å; H450-R454 PolarHBondContact CD2-O 3.2Å; H450-R454 VanDerWaalsContact CD2-O 3.32Å; H450-R454 PolarHBondContact N-O 2.89Å
451S70.9Confident78.1Confident127 Ų12764.2 Ų64.289%0.88833%0.327SS*.THydrogen-bonded Turntrans-58.8-19.1-179.252.80000114.2
452N73Confident78.1Confident84 Ų8463.8 Ų63.845%0.44933%0.326SS..THydrogen-bonded Turntrans-91.29.1174.565.8-2.8000114H450 R454H450-N452 WeakPolarHBondContact CB-OD1 3.49Å; H450-N452 PolarHBondContact O-N 2.96Å; N452-R454 WeakPolarHBondContact OD1-CB 3.27Å; N452-R454 PolarHBondContact OD1-N 3Å
453G69.4Low78.2Confident2 Ų256 Ų562%0.02130%0.296CS..SBendtrans78.812.4178.700000115L437 H450L437-G453 PolarHBondContact N-O 3.38Å; H450-G453 PolarHBondContact O-N 3Å
454R71Confident78.4Confident96 Ų9654 Ų5436%0.36229%0.287SS..PPolyproline II helixtrans-91.1140.1175-65.5-171.4-177.5179.92.5111.5E433 T449 H450 N452E433-R454 IonicContact OE1-CZ 2.98Å; E433-R454 IonicContact OE1-NE 2.65Å; E433-R454 IonicContact OE1-NH1 2.7Å; E433-R454 PolarHBondContact OE1-NH1 3.38Å; T449-R454 WeakPolarHBondContact CG2-O 3.07Å; H450-R454 WeakPolarHBondContact CB-O 3.23Å; H450-R454 PolarHBondContact CD2-O 3.2Å; H450-R454 VanDerWaalsContact CD2-O 3.32Å; H450-R454 PolarHBondContact N-O 2.89Å; N452-R454 WeakPolarHBondContact OD1-CB 3.27Å; N452-R454 PolarHBondContact OD1-N 3Å
455S67Low78.5Confident23 Ų2352.4 Ų52.416%0.16128%0.281CS..PPolyproline II helixtrans-77.5157176.2-166.90000112.3I463S455-I463 WeakPolarHBondContact OG-CD1 3.31Å
456N65.4Low78.7Confident79 Ų7951.7 Ų51.742%0.42228%0.279SS..PPolyproline II helixtrans-85.4138.7171.1-168.8-3.3000109.9N458N456-N458 PolarHBondContact O-N 3.49Å
457K62.6Low79Confident172 Ų17251.6 Ų51.675%0.74828%0.279SS*.THydrogen-bonded Turntrans-63.6-5.1-166.5-74.5-171.1173.4-172.80116.9
458N57.5Low79.4Confident133 Ų13347.8 Ų47.871%0.71126%0.255SS*.THydrogen-bonded Turntrans-1041.5-159.7-73.5-2000116.4N456N456-N458 PolarHBondContact O-N 3.49Å
459D69.4Low79.9Confident54 Ų5446 Ų4629%0.28925%0.246SC..  trans-159.870.7178.7-150.4-18.7000115.4G461 A462 P508D459-G461 VanDerWaalsContact C-N 3.26Å; D459-G461 PolarHBondContact O-N 3.14Å; D459-A462 HydrophobicContact CB-CB 3.85Å; D459-A462 WeakPolarHBondContact O-CB 3.25Å; D459-A462 PolarHBondContact O-N 3.12Å; D459-A462 VanDerWaalsContact O-N 3.09Å; D459-P508 HydrophobicContact CB-CB 3.78Å; D459-P508 WeakPolarHBondContact OD2-CB 3.36Å
460D72.8Confident80.4Confident30 Ų3045 Ų4516%0.1624%0.24CC..Hα-helixtrans-55.9-33.9-176.3-73.4-11.2000114.2V402 R430 G431V402-D460 HydrophobicContact CG2-CB 3.56Å; R430-D460 VanDerWaalsContact CA-OD2 3.24Å; R430-D460 WeakPolarHBondContact CA-OD2 3.47Å; R430-D460 WeakPolarHBondContact CB-OD2 3.4Å; R430-D460 HydrophobicContact CG-CB 3.88Å; R430-D460 VanDerWaalsContact CG-OD2 3.26Å; R430-D460 WeakPolarHBondContact CG-OD2 3.23Å; G431-D460 PolarHBondContact N-OD2 3.41Å
461G79.5Confident81.4Confident18 Ų1840.4 Ų40.419%0.18622%0.219CC..Hα-helixtrans-76-27.7178.800000113.8D459 I463 A465D459-G461 VanDerWaalsContact C-N 3.26Å; D459-G461 PolarHBondContact O-N 3.14Å; G461-I463 VanDerWaalsContact C-N 3.26Å; G461-I463 PolarHBondContact O-N 3.13Å; G461-A465 PolarHBondContact O-N 3.42Å
462A90.3Very high82.7Confident4 Ų434.3 Ų34.33%0.03318%0.176CC..Hα-helixtrans-71.6-20.5-178.600000113.2D459 Y466 P508 R511D459-A462 HydrophobicContact CB-CB 3.85Å; D459-A462 WeakPolarHBondContact O-CB 3.25Å; D459-A462 PolarHBondContact O-N 3.12Å; D459-A462 VanDerWaalsContact O-N 3.09Å; A462-Y466 WeakPolarHBondContact O-CB 3.37Å; A462-Y466 PolarHBondContact O-N 2.86Å; A462-Y466 VanDerWaalsContact O-N 3.1Å; A462-P508 HydrophobicContact CB-CB 3.77Å; A462-R511 WeakPolarHBondContact O-CD 3.38Å; A462-R511 PolarHBondContact O-NH1 2.81Å
463I92Very high83.8Confident6 Ų630.4 Ų30.43%0.03116%0.155CC..Hα-helixtrans-66.7-55177.3-61.2167.4000110V402 F428 P446 S455 G461 A465 Y466 G467V402-I463 HydrophobicContact CG1-CB 4.09Å; V402-I463 HydrophobicContact CG1-CD1 4.1Å; V402-I463 HydrophobicContact CG1-CG2 4.08Å; F428-I463 HydrophobicContact CZ-CD1 4.21Å; P446-I463 HydrophobicContact CG-CG2 4.21Å; S455-I463 WeakPolarHBondContact OG-CD1 3.31Å; G461-I463 VanDerWaalsContact C-N 3.26Å; G461-I463 PolarHBondContact O-N 3.13Å; I463-A465 VanDerWaalsContact C-N 3.32Å; I463-A465 PolarHBondContact O-N 3.37Å; I463-Y466 WeakPolarHBondContact O-CB 3.34Å; I463-Y466 PolarHBondContact O-N 3.15Å; I463-G467 PolarHBondContact O-N 3.18Å
464D94.6Very high85.1Confident2 Ų230.4 Ų30.41%0.01116%0.155CC..Hα-helixtrans-71.3-29.6-178.4-68-29.9000111.9I392 H403 N404 V406 Y466 G467 L468I392-D464 HydrophobicContact CD1-CB 4.48Å; I392-D464 HydrophobicContact CG2-CB 3.52Å; H403-D464 WeakPolarHBondContact CB-OD1 3.43Å; H403-D464 PolarHBondContact N-OD1 3.21Å; H403-D464 PolarHBondContact N-OD2 3.04Å; N404-D464 PolarHBondContact N-OD1 3.38Å; V406-D464 HydrophobicContact CG2-CB 4.24Å; D464-Y466 VanDerWaalsContact C-N 3.34Å; D464-G467 PolarHBondContact O-N 3.2Å; D464-L468 WeakPolarHBondContact O-CB 3.24Å; D464-L468 PolarHBondContact O-N 3.42Å
465A95.2Very high86.3Confident2 Ų226 Ų262%0.01714%0.138CC..Hα-helixtrans-61.7-41.417000000112.1G461 I463 L468 G469 L503 I514G461-A465 PolarHBondContact O-N 3.42Å; I463-A465 VanDerWaalsContact C-N 3.32Å; I463-A465 PolarHBondContact O-N 3.37Å; A465-L468 PolarHBondContact O-N 2.91Å; A465-G469 PolarHBondContact O-N 2.93Å; A465-G469 VanDerWaalsContact O-N 3.08Å; A465-L503 HydrophobicContact CB-CD2 4.07Å; A465-L503 WeakPolarHBondContact O-CD2 3.49Å; A465-I514 HydrophobicContact CB-CD1 4.08Å; A465-I514 HydrophobicContact CB-CG1 4.46Å
466Y95.5Very high87.6Confident10 Ų1026.5 Ų26.54%0.03914%0.138CC..Hα-helixtrans-64.6-43.8173.4-178-94000111.9P446 P447 A462 I463 D464 L468 G469 C470 L486 L503P446-Y466 HydrophobicContact CB-CD1 4.05Å; P446-Y466 HydrophobicContact CB-CG 4.16Å; P446-Y466 HydrophobicContact CG-CD1 3.76Å; P446-Y466 HydrophobicContact CG-CE1 4.48Å; P446-Y466 HydrophobicContact CG-CG 4.11Å; P447-Y466 HydrophobicContact CG-CE2 4.32Å; A462-Y466 WeakPolarHBondContact O-CB 3.37Å; A462-Y466 PolarHBondContact O-N 2.86Å; A462-Y466 VanDerWaalsContact O-N 3.1Å; I463-Y466 WeakPolarHBondContact O-CB 3.34Å; I463-Y466 PolarHBondContact O-N 3.15Å; D464-Y466 VanDerWaalsContact C-N 3.34Å; Y466-L468 VanDerWaalsContact C-N 3.33Å; Y466-L468 PolarHBondContact O-N 3.32Å; Y466-G469 WeakPolarHBondContact O-CA 3.48Å; Y466-G469 PolarHBondContact O-N 3.36Å; Y466-C470 WeakPolarHBondContact CE1-SG 3.36Å; Y466-C470 PolarHBondContact O-N 2.95Å; Y466-C470 PolarHBondContact O-SG 3.04Å; Y466-C470 VanDerWaalsContact O-SG 3.36Å; Y466-L486 HydrophobicContact CE2-CD1 4.47Å; Y466-L486 VanDerWaalsContact OH-CD1 3.28Å; Y466-L486 WeakPolarHBondContact OH-CD1 3.02Å; Y466-L503 WeakPolarHBondContact CA-O 3.41Å
467G96Very high88.9Confident6 Ų624.4 Ų24.46%0.06213%0.126CC..Hα-helixtrans-59.3-41.3175.100000112.6V406 I463 D464 G469 C470 L471V406-G467 CarbonylContact O-C 3.58Å; I463-G467 PolarHBondContact O-N 3.18Å; D464-G467 PolarHBondContact O-N 3.2Å; G467-G469 VanDerWaalsContact C-N 3.3Å; G467-G469 PolarHBondContact O-N 3.43Å; G467-C470 WeakPolarHBondContact O-CB 3.31Å; G467-C470 PolarHBondContact O-N 3Å; G467-C470 VanDerWaalsContact O-N 3.13Å; G467-L471 PolarHBondContact O-N 3.08Å
468L97Very high90.3Very high0 Ų017.5 Ų17.50%010%0.104CC..Hα-helixtrans-61.1-38.5172.5-176.659.2000112.1I385 V388 A389 I392 D464 A465 Y466 L471 I472 L503 I514 L517I385-L468 HydrophobicContact CD1-CD1 3.99Å; I385-L468 HydrophobicContact CG2-CD1 4.32Å; V388-L468 HydrophobicContact CB-CD1 4.29Å; V388-L468 HydrophobicContact CG1-CD1 3.83Å; A389-L468 HydrophobicContact CB-CD2 4.21Å; I392-L468 HydrophobicContact CD1-CB 4.14Å; I392-L468 HydrophobicContact CD1-CD1 4.49Å; I392-L468 HydrophobicContact CD1-CD2 4.46Å; D464-L468 WeakPolarHBondContact O-CB 3.24Å; D464-L468 PolarHBondContact O-N 3.42Å; A465-L468 PolarHBondContact O-N 2.91Å; Y466-L468 VanDerWaalsContact C-N 3.33Å; Y466-L468 PolarHBondContact O-N 3.32Å; L468-L471 HydrophobicContact CD1-CD2 4.04Å; L468-L471 PolarHBondContact O-N 2.95Å; L468-I472 HydrophobicContact CG-CD1 4.31Å; L468-I472 VanDerWaalsContact O-CG1 3.29Å; L468-I472 WeakPolarHBondContact O-CG1 3.43Å; L468-I472 PolarHBondContact O-N 3.33Å; L468-L503 HydrophobicContact CD2-CD1 4.35Å; L468-L503 HydrophobicContact CD2-CD2 4.37Å; L468-L503 HydrophobicContact CG-CD1 4.24Å; L468-I514 HydrophobicContact CD2-CD1 3.59Å; L468-L517 HydrophobicContact CD2-CD2 3.55Å
469G96.8Very high91.8Very high0 Ų014.3 Ų14.30%09%0.09CC..Hα-helixtrans-61.3-43.7171.800000112.7A465 Y466 G467 I472 W473 F500A465-G469 PolarHBondContact O-N 2.93Å; A465-G469 VanDerWaalsContact O-N 3.08Å; Y466-G469 WeakPolarHBondContact O-CA 3.48Å; Y466-G469 PolarHBondContact O-N 3.36Å; G467-G469 VanDerWaalsContact C-N 3.3Å; G467-G469 PolarHBondContact O-N 3.43Å; G469-I472 PolarHBondContact O-N 3.45Å; G469-W473 PolarHBondContact O-N 2.93Å; G469-F500 WeakPolarHBondContact O-CD2 3.06Å; G469-F500 VanDerWaalsContact O-CE2 3.29Å; G469-F500 WeakPolarHBondContact O-CE2 3.4Å
470C97.1Very high92.9Very high0 Ų012 Ų120%08%0.078CC..Hα-helixtrans-60.4-50.1174.3-62.30000111.1Y444 Y466 G467 I472 W473 E474Y444-C470 HydrophobicContact CD1-CB 4.07Å; Y466-C470 WeakPolarHBondContact CE1-SG 3.36Å; Y466-C470 PolarHBondContact O-N 2.95Å; Y466-C470 PolarHBondContact O-SG 3.04Å; Y466-C470 VanDerWaalsContact O-SG 3.36Å; G467-C470 WeakPolarHBondContact O-CB 3.31Å; G467-C470 PolarHBondContact O-N 3Å; G467-C470 VanDerWaalsContact O-N 3.13Å; C470-I472 PolarHBondContact O-N 2.99Å; C470-W473 WeakPolarHBondContact O-CA 3.23Å; C470-W473 WeakPolarHBondContact O-CB 3.38Å; C470-W473 PolarHBondContact O-N 2.81Å; C470-E474 WeakPolarHBondContact O-CG 3.42Å; C470-E474 PolarHBondContact O-N 3.12Å
471L97.3Very high93.8Very high0 Ų018.2 Ų18.20%011%0.106CC..Hα-helixtrans-54.6-50.1176.7172.166.6000111.4I385 V388 V406 I408 L411 G467 L468 W473 E474 L475I385-L471 HydrophobicContact CD1-CD2 3.74Å; I385-L471 HydrophobicContact CD1-CG 4.1Å; V388-L471 HydrophobicContact CB-CD2 4.41Å; V388-L471 HydrophobicContact CG1-CD2 3.96Å; V388-L471 HydrophobicContact CG2-CD2 4.16Å; V406-L471 HydrophobicContact CG1-CD2 4.37Å; I408-L471 HydrophobicContact CB-CD1 4.34Å; L411-L471 HydrophobicContact CD1-CD1 3.53Å; L411-L471 HydrophobicContact CD1-CD2 3.4Å; L411-L471 HydrophobicContact CD1-CG 4.1Å; G467-L471 PolarHBondContact O-N 3.08Å; L468-L471 HydrophobicContact CD1-CD2 4.04Å; L468-L471 PolarHBondContact O-N 2.95Å; L471-W473 PolarHBondContact O-N 3.13Å; L471-E474 WeakPolarHBondContact O-CA 3.45Å; L471-E474 WeakPolarHBondContact O-CB 3.34Å; L471-E474 PolarHBondContact O-N 3.16Å; L471-L475 HydrophobicContact CD1-CD2 4.05Å; L471-L475 HydrophobicContact CD1-CG 4.18Å; L471-L475 HydrophobicContact CG-CD1 4.41Å; L471-L475 HydrophobicContact CG-CG 4.34Å; L471-L475 WeakPolarHBondContact O-CG 3.26Å; L471-L475 PolarHBondContact O-N 2.88Å
472I96.8Very high94.4Very high0 Ų020.1 Ų20.10%012%0.117CC..Hα-helixtrans-54.2-41.3178.5-74.7169.2000110.7I385 L468 G469 C470 F476 L492 W496 F500 L503I385-I472 HydrophobicContact CD1-CG1 3.7Å; I385-I472 HydrophobicContact CG1-CG1 4.15Å; I385-I472 HydrophobicContact CG2-CD1 4.3Å; I385-I472 HydrophobicContact CG2-CG1 4.42Å; L468-I472 HydrophobicContact CG-CD1 4.31Å; L468-I472 VanDerWaalsContact O-CG1 3.29Å; L468-I472 WeakPolarHBondContact O-CG1 3.43Å; L468-I472 PolarHBondContact O-N 3.33Å; G469-I472 PolarHBondContact O-N 3.45Å; C470-I472 PolarHBondContact O-N 2.99Å; I472-F476 VanDerWaalsContact O-CD2 3.24Å; I472-F476 WeakPolarHBondContact O-CD2 3.5Å; I472-L492 HydrophobicContact CG2-CD1 3.87Å; I472-W496 HydrophobicContact CD1-CE3 4.33Å; I472-W496 HydrophobicContact CD1-CZ3 4.23Å; I472-W496 HydrophobicContact CG1-CE3 4.31Å; I472-W496 HydrophobicContact CG1-CZ3 4.09Å; I472-W496 HydrophobicContact CG2-CE3 3.69Å; I472-W496 HydrophobicContact CG2-CZ3 4.28Å; I472-F500 HydrophobicContact CG2-CB 4.44Å; I472-F500 HydrophobicContact CG2-CD2 4.28Å; I472-L503 HydrophobicContact CD1-CD1 3.53Å
473W96.9Very high94.3Very high2 Ų222.1 Ų22.11%0.00813%0.133CC..Hα-helixtrans-64.4-43.5175.3-169.898.7000112G469 C470 L471 L475 F476 N477 L480 A485 L486 T488 K490 F500G469-W473 PolarHBondContact O-N 2.93Å; C470-W473 WeakPolarHBondContact O-CA 3.23Å; C470-W473 WeakPolarHBondContact O-CB 3.38Å; C470-W473 PolarHBondContact O-N 2.81Å; L471-W473 PolarHBondContact O-N 3.13Å; W473-L475 VanDerWaalsContact C-N 3.32Å; W473-L475 PolarHBondContact O-N 2.99Å; W473-F476 PolarHBondContact O-N 3.44Å; W473-N477 HydrophobicContact CD2-CB 3.96Å; W473-N477 HydrophobicContact CE3-CB 3.73Å; W473-N477 HydrophobicContact CH2-CB 3.56Å; W473-N477 HydrophobicContact CZ2-CB 3.8Å; W473-N477 HydrophobicContact CZ3-CB 3.51Å; W473-N477 WeakPolarHBondContact O-CB 3.37Å; W473-N477 PolarHBondContact O-N 3.4Å; W473-N477 VanDerWaalsContact O-N 3.13Å; W473-N477 PolarHBondContact O-ND2 3.32Å; W473-L480 HydrophobicContact CD2-CD1 4.09Å; W473-L480 HydrophobicContact CE3-CD1 3.57Å; W473-L480 HydrophobicContact CH2-CD1 4.17Å; W473-L480 HydrophobicContact CZ3-CD1 3.63Å; W473-A485 HydrophobicContact CH2-CB 3.89Å; W473-A485 HydrophobicContact CZ2-CB 3.79Å; W473-A485 PolarHBondContact NE1-O 2.81Å; W473-L486 HydrophobicContact CB-CD2 3.7Å; W473-L486 HydrophobicContact CD2-CD2 4.25Å; W473-L486 HydrophobicContact CG-CD2 3.74Å; W473-T488 PolarHBondContact NE1-O 3.14Å; W473-K490 HydrophobicContact CH2-CD 4.21Å; W473-K490 HydrophobicContact CZ2-CD 3.79Å; W473-K490 HydrophobicContact CZ2-CG 4.42Å; W473-F500 HydrophobicContact CB-CE2 3.76Å; W473-F500 HydrophobicContact CB-CZ 4.31Å; W473-F500 AromaticContact CD1-CZ 3.79Å; W473-F500 HydrophobicContact CG-CE2 4.34Å; W473-F500 HydrophobicContact CG-CZ 4.42Å
474E96.1Very high94.3Very high2 Ų223.7 Ų23.71%0.00915%0.151CC..Hα-helixtrans-61.9-36.8179.5-66.2-173.9122.700112.9I408 Y444 C470 L471 F476 N477 G478 P479 L480I408-E474 HydrophobicContact CB-CB 4.49Å; I408-E474 PolarHBondContact N-OE2 3.2Å; Y444-E474 WeakPolarHBondContact CE1-OE1 3.42Å; Y444-E474 VanDerWaalsContact CZ-OE1 3.28Å; Y444-E474 PolarHBondContact OH-OE1 3.13Å; C470-E474 WeakPolarHBondContact O-CG 3.42Å; C470-E474 PolarHBondContact O-N 3.12Å; L471-E474 WeakPolarHBondContact O-CA 3.45Å; L471-E474 WeakPolarHBondContact O-CB 3.34Å; L471-E474 PolarHBondContact O-N 3.16Å; E474-F476 PolarHBondContact O-N 3.32Å; E474-F476 VanDerWaalsContact O-N 3.1Å; E474-N477 PolarHBondContact O-N 2.91Å; E474-G478 VanDerWaalsContact CA-O 3.23Å; E474-G478 WeakPolarHBondContact CA-O 3.24Å; E474-G478 WeakPolarHBondContact O-CA 3.39Å; E474-G478 PolarHBondContact O-N 3.05Å; E474-P479 WeakPolarHBondContact OE1-CA 3.33Å; E474-L480 HydrophobicContact CG-CB 4.2Å; E474-L480 PolarHBondContact OE1-N 3.29Å
475L95.8Very high94.1Very high4 Ų424.3 Ų24.32%0.02116%0.156CC..Hα-helixtrans-60.3-25.4-179.2-66-177000113.9L364 L368 I381 I385 W419 L471 W473L364-L475 HydrophobicContact CD2-CD2 4.03Å; L368-L475 HydrophobicContact CD1-CD2 3.55Å; L368-L475 HydrophobicContact CD2-CD2 4.43Å; I381-L475 HydrophobicContact CD1-CB 4.39Å; I381-L475 HydrophobicContact CG2-CB 4.37Å; I381-L475 HydrophobicContact CG2-CD1 3.7Å; I385-L475 HydrophobicContact CD1-CD1 3.44Å; I385-L475 VanDerWaalsContact CD1-CD1 3.44Å; I385-L475 HydrophobicContact CG1-CD1 3.67Å; W419-L475 HydrophobicContact CH2-CD1 3.74Å; W419-L475 HydrophobicContact CH2-CD2 3.58Å; W419-L475 HydrophobicContact CH2-CG 4.33Å; W419-L475 HydrophobicContact CZ3-CD1 3.83Å; W419-L475 HydrophobicContact CZ3-CD2 3.83Å; W419-L475 HydrophobicContact CZ3-CG 4.5Å; L471-L475 HydrophobicContact CD1-CD2 4.05Å; L471-L475 HydrophobicContact CD1-CG 4.18Å; L471-L475 HydrophobicContact CG-CD1 4.41Å; L471-L475 HydrophobicContact CG-CG 4.34Å; L471-L475 WeakPolarHBondContact O-CG 3.26Å; L471-L475 PolarHBondContact O-N 2.88Å; W473-L475 VanDerWaalsContact C-N 3.32Å; W473-L475 PolarHBondContact O-N 2.99Å
476F94.2Very high94Very high33 Ų3324.9 Ų24.915%0.14516%0.159CC..Hα-helixtrans-104.8-20.3178.6-63.5-78.9000113.6I381 I472 W473 E474 S491 L492 P493 W496I381-F476 HydrophobicContact CD1-CD1 4.48Å; I381-F476 HydrophobicContact CD1-CE1 3.96Å; I381-F476 HydrophobicContact CD1-CZ 4.13Å; I381-F476 HydrophobicContact CG2-CE2 4.15Å; I381-F476 HydrophobicContact CG2-CZ 3.85Å; I472-F476 VanDerWaalsContact O-CD2 3.24Å; I472-F476 WeakPolarHBondContact O-CD2 3.5Å; W473-F476 PolarHBondContact O-N 3.44Å; E474-F476 PolarHBondContact O-N 3.32Å; E474-F476 VanDerWaalsContact O-N 3.1Å; F476-S491 WeakPolarHBondContact O-CB 3.41Å; F476-L492 HydrophobicContact CD2-CD1 3.39Å; F476-L492 HydrophobicContact CE2-CD1 3.74Å; F476-L492 HydrophobicContact CG-CD1 4.19Å; F476-P493 HydrophobicContact CD1-CG 4Å; F476-P493 HydrophobicContact CE1-CG 3.6Å; F476-P493 HydrophobicContact CZ-CG 4.01Å; F476-W496 AromaticContact CE2-CD2 3.97Å; F476-W496 HydrophobicContact CE2-CD2 3.97Å; F476-W496 HydrophobicContact CE2-CE3 4.26Å; F476-W496 HydrophobicContact CE2-CG 4.25Å; F476-W496 HydrophobicContact CZ-CD2 4.09Å; F476-W496 AromaticContact CZ-CE2 3.9Å; F476-W496 HydrophobicContact CZ-CG 4.32Å; F476-W496 HydrophobicContact CZ-CZ2 4.39Å; F476-W496 AromaticContact CZ-NE1 3.92Å
477N93.9Very high93.8Very high35 Ų3533.3 Ų33.319%0.18720%0.196CC..Hα-helixtrans-123.9-5.8-168.8-60.4-62.8000114.6W473 E474 K490 S491W473-N477 HydrophobicContact CD2-CB 3.96Å; W473-N477 HydrophobicContact CE3-CB 3.73Å; W473-N477 HydrophobicContact CH2-CB 3.56Å; W473-N477 HydrophobicContact CZ2-CB 3.8Å; W473-N477 HydrophobicContact CZ3-CB 3.51Å; W473-N477 WeakPolarHBondContact O-CB 3.37Å; W473-N477 PolarHBondContact O-N 3.4Å; W473-N477 VanDerWaalsContact O-N 3.13Å; W473-N477 PolarHBondContact O-ND2 3.32Å; E474-N477 PolarHBondContact O-N 2.91Å; N477-K490 HydrophobicContact CB-CD 4.46Å; N477-K490 WeakPolarHBondContact OD1-CB 3.33Å; N477-S491 WeakPolarHBondContact OD1-CB 3.48Å; N477-S491 PolarHBondContact OD1-N 2.95Å
478G91.6Very high93.5Very high27 Ų2737 Ų3728%0.27822%0.217SC..  trans84.4-179.3-171.800000113.1E474E474-G478 VanDerWaalsContact CA-O 3.23Å; E474-G478 WeakPolarHBondContact CA-O 3.24Å; E474-G478 WeakPolarHBondContact O-CA 3.39Å; E474-G478 PolarHBondContact O-N 3.05Å
479P90.1Very high93.2Very high65 Ų6539.6 Ų39.642%0.42223%0.228SC..SBendtrans-54.1141.3-177.4-26.234.8000113.2E474 E481E474-P479 WeakPolarHBondContact OE1-CA 3.33Å; P479-E481 PolarHBondContact O-N 3.17Å
480L92Very high92.9Very high7 Ų745.3 Ų45.34%0.03725%0.253CS..  trans-70.4121.9-175.5-167.369.3000111.6Q443 Y444 W473 E474 S482 A485 L486Q443-L480 HydrophobicContact CB-CD2 3.99Å; Q443-L480 HydrophobicContact CB-CG 4.25Å; Q443-L480 HydrophobicContact CG-CB 4.15Å; Q443-L480 HydrophobicContact CG-CD2 4.18Å; Q443-L480 HydrophobicContact CG-CG 4.32Å; Q443-L480 WeakPolarHBondContact CG-O 3.15Å; Q443-L480 VanDerWaalsContact O-CD2 3.23Å; Q443-L480 WeakPolarHBondContact O-CD2 3.49Å; Y444-L480 HydrophobicContact CD1-CD2 4.22Å; Y444-L480 HydrophobicContact CE1-CB 3.85Å; Y444-L480 HydrophobicContact CE1-CD2 4.27Å; W473-L480 HydrophobicContact CD2-CD1 4.09Å; W473-L480 HydrophobicContact CE3-CD1 3.57Å; W473-L480 HydrophobicContact CH2-CD1 4.17Å; W473-L480 HydrophobicContact CZ3-CD1 3.63Å; E474-L480 HydrophobicContact CG-CB 4.2Å; E474-L480 PolarHBondContact OE1-N 3.29Å; L480-S482 WeakPolarHBondContact CG-O 3.41Å; L480-A485 HydrophobicContact CD1-CB 3.8Å; L480-L486 HydrophobicContact CD1-CD2 3.9Å; L480-L486 HydrophobicContact CD1-CG 4.14Å; L480-L486 HydrophobicContact CD2-CD1 4.41Å; L480-L486 HydrophobicContact CD2-CD2 4.36Å; L480-L486 HydrophobicContact CD2-CG 4.3Å
481E90.1Very high92.8Very high160 Ų16049.2 Ų49.275%0.74828%0.281SS*.SBendtrans-79-33.4178-65.1171.3-179.800112.7P479P479-E481 PolarHBondContact O-N 3.17Å
482S92.4Very high92.6Very high58 Ų5849.6 Ų49.641%0.40628%0.283SS..  trans-162156.2177.768.10000110.8L480 G484 A485L480-S482 WeakPolarHBondContact CG-O 3.41Å; S482-G484 PolarHBondContact O-N 3.12Å; S482-G484 VanDerWaalsContact O-N 3.07Å; S482-A485 WeakPolarHBondContact O-CB 3.16Å; S482-A485 PolarHBondContact O-N 3.32Å
483A89Confident92.4Very high45 Ų4551.2 Ų51.237%0.37229%0.293SS..G310 helixtrans-57.2-25.1174.300000113A485 L486A483-A485 VanDerWaalsContact C-N 3.27Å; A483-A485 PolarHBondContact O-N 2.7Å; A483-L486 PolarHBondContact O-N 3.41Å
484G90.9Very high92.1Very high39 Ų3954.7 Ų54.740%0.40232%0.322SS..G310 helixtrans-66.5-24.8176.300000114.1S482 L486 K487S482-G484 PolarHBondContact O-N 3.12Å; S482-G484 VanDerWaalsContact O-N 3.07Å; G484-L486 PolarHBondContact O-N 3.39Å; G484-K487 WeakPolarHBondContact O-CB 3.26Å; G484-K487 PolarHBondContact O-N 2.81Å
485A92.4Very high91.8Very high15 Ų1558.8 Ų58.812%0.12435%0.351CS..G310 helixtrans-66-25-178.700000112.9W473 L480 S482 A483 K487 T488W473-A485 HydrophobicContact CH2-CB 3.89Å; W473-A485 HydrophobicContact CZ2-CB 3.79Å; W473-A485 PolarHBondContact NE1-O 2.81Å; L480-A485 HydrophobicContact CD1-CB 3.8Å; S482-A485 WeakPolarHBondContact O-CB 3.16Å; S482-A485 PolarHBondContact O-N 3.32Å; A483-A485 VanDerWaalsContact C-N 3.27Å; A483-A485 PolarHBondContact O-N 2.7Å; A485-K487 PolarHBondContact O-N 3.39Å; A485-K487 VanDerWaalsContact O-N 3.14Å; A485-T488 PolarHBondContact O-N 2.71Å; A485-T488 VanDerWaalsContact O-N 3.09Å
486L93Very high91.6Very high15 Ų1559.1 Ų59.18%0.07935%0.352CS..G310 helixtrans-64.2-16176.6-60.8174.6000113.4Y466 W473 L480 A483 G484 T488 F500Y466-L486 HydrophobicContact CE2-CD1 4.47Å; Y466-L486 VanDerWaalsContact OH-CD1 3.28Å; Y466-L486 WeakPolarHBondContact OH-CD1 3.02Å; W473-L486 HydrophobicContact CB-CD2 3.7Å; W473-L486 HydrophobicContact CD2-CD2 4.25Å; W473-L486 HydrophobicContact CG-CD2 3.74Å; L480-L486 HydrophobicContact CD1-CD2 3.9Å; L480-L486 HydrophobicContact CD1-CG 4.14Å; L480-L486 HydrophobicContact CD2-CD1 4.41Å; L480-L486 HydrophobicContact CD2-CD2 4.36Å; L480-L486 HydrophobicContact CD2-CG 4.3Å; A483-L486 PolarHBondContact O-N 3.41Å; G484-L486 PolarHBondContact O-N 3.39Å; L486-T488 PolarHBondContact O-N 3.05Å; L486-F500 HydrophobicContact CB-CZ 4.28Å; L486-F500 HydrophobicContact CD2-CE2 4.14Å; L486-F500 HydrophobicContact CD2-CZ 4.13Å
487K91Very high91.6Very high186 Ų18660 Ų6081%0.80936%0.357SS*.G310 helixtrans-73-15.9175.3-62.8-179.2-179.5179.10113G484 A485G484-K487 WeakPolarHBondContact O-CB 3.26Å; G484-K487 PolarHBondContact O-N 2.81Å; A485-K487 PolarHBondContact O-N 3.39Å; A485-K487 VanDerWaalsContact O-N 3.14Å
488T89.9Confident91.5Very high84 Ų8462.1 Ų62.152%0.51537%0.372SS..  trans-118.8128.6-178.4-52.40000110W473 A485 L486 K490W473-T488 PolarHBondContact NE1-O 3.14Å; A485-T488 PolarHBondContact O-N 2.71Å; A485-T488 VanDerWaalsContact O-N 3.09Å; L486-T488 PolarHBondContact O-N 3.05Å; T488-K490 VanDerWaalsContact C-N 3.34Å; T488-K490 HydrophobicContact CG2-CG 4.11Å; T488-K490 PolarHBondContact O-N 3.44Å
489F90Very high91.5Very high54 Ų5462.2 Ų62.224%0.23737%0.369CS..  trans-71.6-25.7-177.9-63.4-41.2000114.3S491 L492 Q497 F500 K501F489-S491 PolarHBondContact O-N 2.92Å; F489-L492 HydrophobicContact CB-CB 4.2Å; F489-L492 HydrophobicContact CD1-CD2 3.97Å; F489-L492 WeakPolarHBondContact O-CB 3.37Å; F489-L492 PolarHBondContact O-N 3.26Å; F489-Q497 HydrophobicContact CD1-CG 4.25Å; F489-Q497 HydrophobicContact CD2-CG 4.12Å; F489-Q497 HydrophobicContact CE1-CB 4.5Å; F489-Q497 HydrophobicContact CE1-CG 4.32Å; F489-Q497 HydrophobicContact CE2-CB 4.5Å; F489-Q497 HydrophobicContact CE2-CG 4.17Å; F489-Q497 HydrophobicContact CG-CG 4.15Å; F489-Q497 HydrophobicContact CZ-CB 4.28Å; F489-Q497 HydrophobicContact CZ-CG 4.26Å; F489-F500 HydrophobicContact CD1-CD1 4.01Å; F489-F500 AromaticContact CD1-CE1 3.89Å; F489-F500 HydrophobicContact CD1-CE1 3.89Å; F489-F500 AromaticContact CE1-CD1 3.67Å; F489-F500 HydrophobicContact CE1-CD1 3.67Å; F489-F500 AromaticContact CE1-CE1 3.71Å; F489-F500 HydrophobicContact CE1-CE1 3.71Å; F489-K501 HydrophobicContact CE1-CG 4.31Å; F489-K501 HydrophobicContact CZ-CD 4.08Å; F489-K501 HydrophobicContact CZ-CG 4.13Å
490K91.4Very high91.7Very high120 Ų12059.2 Ų59.252%0.52235%0.349SS..THydrogen-bonded Turntrans46.4-108.4-176-71.4-172.3-177-178.80110.8W473 N477 T488W473-K490 HydrophobicContact CH2-CD 4.21Å; W473-K490 HydrophobicContact CZ2-CD 3.79Å; W473-K490 HydrophobicContact CZ2-CG 4.42Å; N477-K490 HydrophobicContact CB-CD 4.46Å; N477-K490 WeakPolarHBondContact OD1-CB 3.33Å; T488-K490 VanDerWaalsContact C-N 3.34Å; T488-K490 HydrophobicContact CG2-CG 4.11Å; T488-K490 PolarHBondContact O-N 3.44Å
491S93.2Very high91.9Very high83 Ų8364.7 Ų64.758%0.5837%0.373SS*.THydrogen-bonded Turntrans-95.68.3-177.8-630000114.6F476 N477 F489 P493F476-S491 WeakPolarHBondContact O-CB 3.41Å; N477-S491 WeakPolarHBondContact OD1-CB 3.48Å; N477-S491 PolarHBondContact OD1-N 2.95Å; F489-S491 PolarHBondContact O-N 2.92Å; S491-P493 WeakPolarHBondContact O-CD 3.41Å
492L93.3Very high92.1Very high7 Ų762.8 Ų62.84%0.03736%0.359CS..  trans-68.6119.2179.9-174.468.4000111.5I472 F476 F489 W496 Q497 F500I472-L492 HydrophobicContact CG2-CD1 3.87Å; F476-L492 HydrophobicContact CD2-CD1 3.39Å; F476-L492 HydrophobicContact CE2-CD1 3.74Å; F476-L492 HydrophobicContact CG-CD1 4.19Å; F489-L492 HydrophobicContact CB-CB 4.2Å; F489-L492 HydrophobicContact CD1-CD2 3.97Å; F489-L492 WeakPolarHBondContact O-CB 3.37Å; F489-L492 PolarHBondContact O-N 3.26Å; L492-W496 HydrophobicContact CD1-CB 3.72Å; L492-W496 HydrophobicContact CD1-CG 4.38Å; L492-W496 HydrophobicContact CG-CB 4.09Å; L492-Q497 HydrophobicContact CD2-CG 4.12Å; L492-Q497 HydrophobicContact CG-CG 4.36Å; L492-Q497 PolarHBondContact O-NE2 3.05Å; L492-F500 HydrophobicContact CD2-CB 3.82Å; L492-F500 HydrophobicContact CD2-CD1 3.61Å; L492-F500 HydrophobicContact CD2-CD2 4.22Å; L492-F500 HydrophobicContact CD2-CE1 4.24Å; L492-F500 HydrophobicContact CD2-CG 3.59Å
493P92.2Very high92.2Very high34 Ų3460 Ų6022%0.22134%0.339CS..  trans-64.1149.6-177.4-19.230.3000112.9F476 S491 S495 W496 Q497F476-P493 HydrophobicContact CD1-CG 4Å; F476-P493 HydrophobicContact CE1-CG 3.6Å; F476-P493 HydrophobicContact CZ-CG 4.01Å; S491-P493 WeakPolarHBondContact O-CD 3.41Å; P493-S495 PolarHBondContact O-N 2.84Å; P493-S495 VanDerWaalsContact O-N 3.14Å; P493-W496 WeakPolarHBondContact O-CB 3.48Å; P493-W496 PolarHBondContact O-N 2.88Å; P493-Q497 PolarHBondContact O-N 3.47Å
494A91.8Very high92.5Very high75 Ų7559.2 Ų59.262%0.6233%0.33SS*.THydrogen-bonded Turntrans-55.8-35.3-175.800000113.9W496 Q497 P498A494-W496 PolarHBondContact O-N 2.94Å; A494-Q497 PolarHBondContact O-N 3.48Å; A494-P498 WeakPolarHBondContact O-CD 3.4Å
495S89.8Confident92.6Very high88 Ų8858 Ų5862%0.61532%0.316SS*.THydrogen-bonded Turntrans-65.3-24.3177.753.10000113.9P493P493-S495 PolarHBondContact O-N 2.84Å; P493-S495 VanDerWaalsContact O-N 3.14Å
496W91.7Very high92.4Very high12 Ų1260.7 Ų60.75%0.04534%0.339CS..THydrogen-bonded Turntrans-88.9-23.2-179.5-70.574.6000112.7I381 I385 I472 F476 L492 P493 A494 S499 F500 L527I381-W496 HydrophobicContact CG2-CH2 3.76Å; I381-W496 HydrophobicContact CG2-CZ2 3.87Å; I381-W496 HydrophobicContact CG2-CZ3 4.46Å; I385-W496 HydrophobicContact CB-CH2 4.13Å; I385-W496 HydrophobicContact CB-CZ3 4.21Å; I385-W496 HydrophobicContact CG1-CH2 3.93Å; I385-W496 HydrophobicContact CG1-CZ3 3.86Å; I385-W496 HydrophobicContact CG2-CH2 4.49Å; I385-W496 HydrophobicContact CG2-CZ3 4.19Å; I472-W496 HydrophobicContact CD1-CE3 4.33Å; I472-W496 HydrophobicContact CD1-CZ3 4.23Å; I472-W496 HydrophobicContact CG1-CE3 4.31Å; I472-W496 HydrophobicContact CG1-CZ3 4.09Å; I472-W496 HydrophobicContact CG2-CE3 3.69Å; I472-W496 HydrophobicContact CG2-CZ3 4.28Å; F476-W496 AromaticContact CE2-CD2 3.97Å; F476-W496 HydrophobicContact CE2-CD2 3.97Å; F476-W496 HydrophobicContact CE2-CE3 4.26Å; F476-W496 HydrophobicContact CE2-CG 4.25Å; F476-W496 HydrophobicContact CZ-CD2 4.09Å; F476-W496 AromaticContact CZ-CE2 3.9Å; F476-W496 HydrophobicContact CZ-CG 4.32Å; F476-W496 HydrophobicContact CZ-CZ2 4.39Å; F476-W496 AromaticContact CZ-NE1 3.92Å; L492-W496 HydrophobicContact CD1-CB 3.72Å; L492-W496 HydrophobicContact CD1-CG 4.38Å; L492-W496 HydrophobicContact CG-CB 4.09Å; P493-W496 WeakPolarHBondContact O-CB 3.48Å; P493-W496 PolarHBondContact O-N 2.88Å; A494-W496 PolarHBondContact O-N 2.94Å; W496-S499 PolarHBondContact O-N 3Å; W496-F500 VanDerWaalsContact O-CB 3.28Å; W496-F500 WeakPolarHBondContact O-CB 3.27Å; W496-F500 PolarHBondContact O-N 3.15Å; W496-L527 HydrophobicContact CB-CD1 4.5Å; W496-L527 HydrophobicContact CD2-CD1 3.29Å; W496-L527 HydrophobicContact CD2-CG 4.32Å; W496-L527 VanDerWaalsContact CE2-CD1 3.41Å; W496-L527 HydrophobicContact CE3-CD1 3.45Å; W496-L527 VanDerWaalsContact CE3-CD1 3.45Å; W496-L527 HydrophobicContact CE3-CD2 3.8Å; W496-L527 HydrophobicContact CE3-CG 4.06Å; W496-L527 HydrophobicContact CG-CD1 3.8Å; W496-L527 HydrophobicContact CH2-CD1 3.83Å; W496-L527 HydrophobicContact CH2-CD2 4.01Å; W496-L527 HydrophobicContact CH2-CG 3.88Å; W496-L527 HydrophobicContact CZ2-CD1 3.7Å; W496-L527 HydrophobicContact CZ2-CG 4.16Å; W496-L527 HydrophobicContact CZ3-CD1 3.72Å; W496-L527 HydrophobicContact CZ3-CD2 3.51Å; W496-L527 HydrophobicContact CZ3-CG 3.84Å
497Q94.1Very high92.3Very high51 Ų5161.8 Ų61.824%0.23835%0.347CS..Hα-helixtrans-59.4-40.1-172.6-65.7175.514.500114.6F489 L492 P493 A494 K501F489-Q497 HydrophobicContact CD1-CG 4.25Å; F489-Q497 HydrophobicContact CD2-CG 4.12Å; F489-Q497 HydrophobicContact CE1-CB 4.5Å; F489-Q497 HydrophobicContact CE1-CG 4.32Å; F489-Q497 HydrophobicContact CE2-CB 4.5Å; F489-Q497 HydrophobicContact CE2-CG 4.17Å; F489-Q497 HydrophobicContact CG-CG 4.15Å; F489-Q497 HydrophobicContact CZ-CB 4.28Å; F489-Q497 HydrophobicContact CZ-CG 4.26Å; L492-Q497 HydrophobicContact CD2-CG 4.12Å; L492-Q497 HydrophobicContact CG-CG 4.36Å; L492-Q497 PolarHBondContact O-NE2 3.05Å; P493-Q497 PolarHBondContact O-N 3.47Å; A494-Q497 PolarHBondContact O-N 3.48Å; Q497-K501 WeakPolarHBondContact O-CB 3.2Å; Q497-K501 WeakPolarHBondContact O-CG 3.22Å; Q497-K501 PolarHBondContact O-N 3.05Å
498P92Very high92.2Very high79 Ų7953.8 Ų53.851%0.51331%0.314SS..Hα-helixtrans-62.8-48.4178.2-23.434.7000112.7A494 K501 R502A494-P498 WeakPolarHBondContact O-CD 3.4Å; P498-K501 PolarHBondContact O-N 3.21Å; P498-R502 WeakPolarHBondContact O-CG 3.24Å; P498-R502 PolarHBondContact O-N 2.77Å
499S91.8Very high92.1Very high29 Ų2956 Ų5620%0.20332%0.319CS..Hα-helixtrans-66-43.5178.4-58.30000111.3W496 K501 R502 L503W496-S499 PolarHBondContact O-N 3Å; S499-K501 PolarHBondContact O-N 3.47Å; S499-R502 PolarHBondContact O-N 2.82Å; S499-L503 WeakPolarHBondContact O-CG 3.19Å; S499-L503 PolarHBondContact O-N 2.9Å
500F94.6Very high92.1Very high2 Ų260.1 Ų60.11%0.00934%0.339CS..Hα-helixtrans-56.1-50.7175.6169.2-102.8000112G469 I472 W473 L486 F489 L492 W496 R502 L503 T504G469-F500 WeakPolarHBondContact O-CD2 3.06Å; G469-F500 VanDerWaalsContact O-CE2 3.29Å; G469-F500 WeakPolarHBondContact O-CE2 3.4Å; I472-F500 HydrophobicContact CG2-CB 4.44Å; I472-F500 HydrophobicContact CG2-CD2 4.28Å; W473-F500 HydrophobicContact CB-CE2 3.76Å; W473-F500 HydrophobicContact CB-CZ 4.31Å; W473-F500 AromaticContact CD1-CZ 3.79Å; W473-F500 HydrophobicContact CG-CE2 4.34Å; W473-F500 HydrophobicContact CG-CZ 4.42Å; L486-F500 HydrophobicContact CB-CZ 4.28Å; L486-F500 HydrophobicContact CD2-CE2 4.14Å; L486-F500 HydrophobicContact CD2-CZ 4.13Å; F489-F500 HydrophobicContact CD1-CD1 4.01Å; F489-F500 AromaticContact CD1-CE1 3.89Å; F489-F500 HydrophobicContact CD1-CE1 3.89Å; F489-F500 AromaticContact CE1-CD1 3.67Å; F489-F500 HydrophobicContact CE1-CD1 3.67Å; F489-F500 AromaticContact CE1-CE1 3.71Å; F489-F500 HydrophobicContact CE1-CE1 3.71Å; L492-F500 HydrophobicContact CD2-CB 3.82Å; L492-F500 HydrophobicContact CD2-CD1 3.61Å; L492-F500 HydrophobicContact CD2-CD2 4.22Å; L492-F500 HydrophobicContact CD2-CE1 4.24Å; L492-F500 HydrophobicContact CD2-CG 3.59Å; W496-F500 VanDerWaalsContact O-CB 3.28Å; W496-F500 WeakPolarHBondContact O-CB 3.27Å; W496-F500 PolarHBondContact O-N 3.15Å; F500-R502 VanDerWaalsContact C-N 3.26Å; F500-R502 PolarHBondContact O-N 3.1Å; F500-L503 PolarHBondContact O-N 3.35Å; F500-L503 VanDerWaalsContact O-N 3.09Å; F500-T504 HydrophobicContact CD2-CG2 3.96Å; F500-T504 HydrophobicContact CE2-CG2 3.49Å; F500-T504 VanDerWaalsContact CE2-CG2 3.49Å; F500-T504 HydrophobicContact CZ-CG2 3.93Å; F500-T504 PolarHBondContact O-N 2.87Å; F500-T504 PolarHBondContact O-OG1 3.03Å; F500-T504 VanDerWaalsContact O-OG1 3.13Å
501K94.6Very high92.2Very high123 Ų12355.3 Ų55.354%0.53532%0.317SS..Hα-helixtrans-56.1-39.8177.5-84.3167.1149.5151.40112.8F489 Q497 P498 S499 A505F489-K501 HydrophobicContact CE1-CG 4.31Å; F489-K501 HydrophobicContact CZ-CD 4.08Å; F489-K501 HydrophobicContact CZ-CG 4.13Å; Q497-K501 WeakPolarHBondContact O-CB 3.2Å; Q497-K501 WeakPolarHBondContact O-CG 3.22Å; Q497-K501 PolarHBondContact O-N 3.05Å; P498-K501 PolarHBondContact O-N 3.21Å; S499-K501 PolarHBondContact O-N 3.47Å; K501-A505 PolarHBondContact O-N 3.16Å
502R94.4Very high92.2Very high119 Ų11951.5 Ų51.545%0.44929%0.291SS..Hα-helixtrans-71.8-36.4178-68.9179.868.5-162.40.4111.9P498 S499 F500 R511 V512P498-R502 WeakPolarHBondContact O-CG 3.24Å; P498-R502 PolarHBondContact O-N 2.77Å; S499-R502 PolarHBondContact O-N 2.82Å; F500-R502 VanDerWaalsContact C-N 3.26Å; F500-R502 PolarHBondContact O-N 3.1Å; R502-R511 VanDerWaalsContact O-CA 3.26Å; R502-R511 WeakPolarHBondContact O-CA 3.34Å; R502-V512 HydrophobicContact CB-CB 4.03Å; R502-V512 HydrophobicContact CB-CG1 3.84Å; R502-V512 VanDerWaalsContact NH2-CG2 3.33Å; R502-V512 PolarHBondContact O-N 2.98Å
503L95.1Very high92.1Very high0 Ų053.4 Ų53.40%031%0.305CS..Hα-helixtrans-69.7-37.6176.7-72.4165.8000112A465 Y466 L468 I472 S499 F500 A505 R511 V512 I514 L517A465-L503 HydrophobicContact CB-CD2 4.07Å; A465-L503 WeakPolarHBondContact O-CD2 3.49Å; Y466-L503 WeakPolarHBondContact CA-O 3.41Å; L468-L503 HydrophobicContact CD2-CD1 4.35Å; L468-L503 HydrophobicContact CD2-CD2 4.37Å; L468-L503 HydrophobicContact CG-CD1 4.24Å; I472-L503 HydrophobicContact CD1-CD1 3.53Å; S499-L503 WeakPolarHBondContact O-CG 3.19Å; S499-L503 PolarHBondContact O-N 2.9Å; F500-L503 PolarHBondContact O-N 3.35Å; F500-L503 VanDerWaalsContact O-N 3.09Å; L503-A505 PolarHBondContact O-N 3.26Å; L503-R511 WeakPolarHBondContact O-CD 3.34Å; L503-V512 HydrophobicContact CD2-CG1 3.55Å; L503-V512 HydrophobicContact CG-CG1 3.77Å; L503-I514 HydrophobicContact CD2-CD1 4.38Å; L503-L517 HydrophobicContact CD1-CD1 4.44Å; L503-L517 HydrophobicContact CD1-CD2 4.11Å; L503-L517 HydrophobicContact CD2-CD2 4.22Å
504T94.6Very high92.2Very high28 Ų2852.1 Ų52.117%0.17230%0.296CS..THydrogen-bonded Turntrans-96.224.3-178.966.90000113.7F500F500-T504 HydrophobicContact CD2-CG2 3.96Å; F500-T504 HydrophobicContact CE2-CG2 3.49Å; F500-T504 VanDerWaalsContact CE2-CG2 3.49Å; F500-T504 HydrophobicContact CZ-CG2 3.93Å; F500-T504 PolarHBondContact O-N 2.87Å; F500-T504 PolarHBondContact O-OG1 3.03Å; F500-T504 VanDerWaalsContact O-OG1 3.13Å
505A93.1Very high92.2Very high14 Ų1451 Ų5112%0.11628%0.279CS..  trans-61.6140.7176.800000110.7K501 L503 S507 Q510 R511K501-A505 PolarHBondContact O-N 3.16Å; L503-A505 PolarHBondContact O-N 3.26Å; A505-S507 PolarHBondContact O-N 3.04Å; A505-Q510 HydrophobicContact CB-CB 3.92Å; A505-R511 HydrophobicContact CB-CG 3.9Å; A505-R511 PolarHBondContact O-NE 3.44Å; A505-R511 PolarHBondContact O-NH2 3.5Å
506A89.7Confident92.3Very high72 Ų7250.3 Ų50.360%0.59527%0.268SS*.SBendtrans-67-38.2-175.100000112.5R511A506-R511 PolarHBondContact O-NH2 3.48Å
507S89.2Confident92.4Very high37 Ų3750.1 Ų50.126%0.25927%0.268SS..SBendtrans-86.4130.2174163.40000110.1A505 Q509 Q510A505-S507 PolarHBondContact O-N 3.04Å; S507-Q509 VanDerWaalsContact C-N 3.26Å; S507-Q509 PolarHBondContact O-N 2.89Å; S507-Q509 PolarHBondContact OG-OE1 2.94Å; S507-Q510 PolarHBondContact O-N 3.35Å; S507-Q510 VanDerWaalsContact O-N 3.11Å
508P89.6Confident92.4Very high18 Ų1848.7 Ų48.712%0.11726%0.262CS..G310 helixtrans-52.9-42.4176-2733.9000113.1E448 D459 A462 Q510 R511E448-P508 HydrophobicContact CB-CG 4.28Å; E448-P508 HydrophobicContact CG-CG 3.76Å; D459-P508 HydrophobicContact CB-CB 3.78Å; D459-P508 WeakPolarHBondContact OD2-CB 3.36Å; A462-P508 HydrophobicContact CB-CB 3.77Å; P508-Q510 PolarHBondContact O-N 3.34Å; P508-Q510 VanDerWaalsContact O-N 3.13Å; P508-R511 WeakPolarHBondContact O-CB 3.47Å; P508-R511 PolarHBondContact O-N 2.86Å
509Q87.4Confident92.3Very high132 Ų13249.9 Ų49.962%0.61726%0.264SS*.G310 helixtrans-66.7-18.5-177.3-62.773.531.600113.5S507S507-Q509 VanDerWaalsContact C-N 3.26Å; S507-Q509 PolarHBondContact O-N 2.89Å; S507-Q509 PolarHBondContact OG-OE1 2.94Å
510Q91Very high92.1Very high139 Ų13951.5 Ų51.565%0.6527%0.271SS*.G310 helixtrans-92.2-7.3176.5-66.2-178.9-12.300112.6A505 S507 P508A505-Q510 HydrophobicContact CB-CB 3.92Å; S507-Q510 PolarHBondContact O-N 3.35Å; S507-Q510 VanDerWaalsContact O-N 3.11Å; P508-Q510 PolarHBondContact O-N 3.34Å; P508-Q510 VanDerWaalsContact O-N 3.13Å
511R93.7Very high91.8Very high20 Ų2051.6 Ų51.68%0.07527%0.272CS..SBendtrans-73.9139.8178.8-65.7-177.1-164.1136.614.6110.6E448 A462 R502 L503 A505 A506 P508E448-R511 VanDerWaalsContact CD-NH2 3.34Å; E448-R511 IonicContact OE1-CZ 3.64Å; E448-R511 IonicContact OE1-NH1 3.84Å; E448-R511 PolarHBondContact OE1-NH1 2.84Å; E448-R511 IonicContact OE1-NH2 2.69Å; E448-R511 PolarHBondContact OE1-NH2 3.08Å; E448-R511 IonicContact OE2-CZ 2.69Å; E448-R511 IonicContact OE2-NH1 2.94Å; E448-R511 IonicContact OE2-NH2 2.84Å; E448-R511 PolarHBondContact OE2-NH2 3.4Å; A462-R511 WeakPolarHBondContact O-CD 3.38Å; A462-R511 PolarHBondContact O-NH1 2.81Å; R502-R511 VanDerWaalsContact O-CA 3.26Å; R502-R511 WeakPolarHBondContact O-CA 3.34Å; L503-R511 WeakPolarHBondContact O-CD 3.34Å; A505-R511 HydrophobicContact CB-CG 3.9Å; A505-R511 PolarHBondContact O-NE 3.44Å; A505-R511 PolarHBondContact O-NH2 3.5Å; A506-R511 PolarHBondContact O-NH2 3.48Å; P508-R511 WeakPolarHBondContact O-CB 3.47Å; P508-R511 PolarHBondContact O-N 2.86Å
512V92.7Very high91.5Very high3 Ų350.7 Ų50.72%0.01827%0.265CS..PPolyproline II helixtrans-67.1133.8173.262.20000109.2R502 L503 D516 L517R502-V512 HydrophobicContact CB-CB 4.03Å; R502-V512 HydrophobicContact CB-CG1 3.84Å; R502-V512 VanDerWaalsContact NH2-CG2 3.33Å; R502-V512 PolarHBondContact O-N 2.98Å; L503-V512 HydrophobicContact CD2-CG1 3.55Å; L503-V512 HydrophobicContact CG-CG1 3.77Å; V512-D516 HydrophobicContact CG2-CB 3.73Å; V512-L517 HydrophobicContact CG1-CD1 4.49Å; V512-L517 HydrophobicContact CG2-CB 4.39Å
513S92.1Very high91.2Very high47 Ų4750.7 Ų50.733%0.32927%0.269SS..PPolyproline II helixtrans-66.6154.4171.777.70000110D515 D516 L517S513-D515 VanDerWaalsContact C-N 3.32Å; S513-D515 PolarHBondContact O-N 3.32Å; S513-D516 PolarHBondContact O-N 3.1Å; S513-D516 VanDerWaalsContact OG-CB 3.25Å; S513-D516 WeakPolarHBondContact OG-CB 3.36Å; S513-D516 PolarHBondContact OG-N 3.35Å; S513-D516 PolarHBondContact OG-OD2 3.06Å; S513-L517 PolarHBondContact O-N 2.94Å
514I94.2Very high90.6Very high7 Ų755.6 Ų55.64%0.03631%0.309CS..Hα-helixtrans-66.9-37.3179.4-63.3-60000111.4A389 I392 A465 L468 L503 L517 L518A389-I514 HydrophobicContact CB-CG2 4.23Å; A389-I514 WeakPolarHBondContact O-CG2 3.5Å; I392-I514 HydrophobicContact CB-CG1 4.38Å; I392-I514 HydrophobicContact CB-CG2 4.41Å; I392-I514 HydrophobicContact CG2-CD1 4.37Å; I392-I514 HydrophobicContact CG2-CG1 3.73Å; A465-I514 HydrophobicContact CB-CD1 4.08Å; A465-I514 HydrophobicContact CB-CG1 4.46Å; L468-I514 HydrophobicContact CD2-CD1 3.59Å; L503-I514 HydrophobicContact CD2-CD1 4.38Å; I514-L517 WeakPolarHBondContact O-CB 3.34Å; I514-L517 PolarHBondContact O-N 3.33Å; I514-L518 HydrophobicContact CG2-CD1 4.16Å; I514-L518 HydrophobicContact CG2-CG 4.48Å; I514-L518 WeakPolarHBondContact O-CG 3.36Å; I514-L518 PolarHBondContact O-N 3.26Å
515D91.4Very high90Very high50 Ų5058.2 Ų58.227%0.26734%0.342SS..Hα-helixtrans-60.7-46.6174.1-65.2-55.9000110.8R397 S513 L517 L518 D519R397-D515 IonicContact NH1-OD1 2.68Å; R397-D515 PolarHBondContact NH1-OD1 3.07Å; R397-D515 VanDerWaalsContact NH1-OD1 3.09Å; S513-D515 VanDerWaalsContact C-N 3.32Å; S513-D515 PolarHBondContact O-N 3.32Å; D515-L517 VanDerWaalsContact C-N 3.29Å; D515-L517 PolarHBondContact O-N 3.4Å; D515-L518 PolarHBondContact O-N 3.02Å; D515-D519 WeakPolarHBondContact O-CB 3.31Å; D515-D519 PolarHBondContact O-N 3.29Å
516D91.8Very high89.7Confident74 Ų7458.6 Ų58.640%0.39635%0.347SS..Hα-helixtrans-63.4-34175.6-71.4-46.7000112.6V512 S513 N520V512-D516 HydrophobicContact CG2-CB 3.73Å; S513-D516 PolarHBondContact O-N 3.1Å; S513-D516 VanDerWaalsContact OG-CB 3.25Å; S513-D516 WeakPolarHBondContact OG-CB 3.36Å; S513-D516 PolarHBondContact OG-N 3.35Å; S513-D516 PolarHBondContact OG-OD2 3.06Å; D516-N520 WeakPolarHBondContact O-CB 3.38Å; D516-N520 VanDerWaalsContact O-CG 3.24Å; D516-N520 PolarHBondContact O-N 2.67Å; D516-N520 PolarHBondContact O-ND2 2.89Å
517L93.7Very high89.5Confident8 Ų856.1 Ų56.14%0.04232%0.324CS..Hα-helixtrans-66.4-44.6176.7-179.273.8000110.8L468 L503 V512 S513 I514 D515 G521 F528L468-L517 HydrophobicContact CD2-CD2 3.55Å; L503-L517 HydrophobicContact CD1-CD1 4.44Å; L503-L517 HydrophobicContact CD1-CD2 4.11Å; L503-L517 HydrophobicContact CD2-CD2 4.22Å; V512-L517 HydrophobicContact CG1-CD1 4.49Å; V512-L517 HydrophobicContact CG2-CB 4.39Å; S513-L517 PolarHBondContact O-N 2.94Å; I514-L517 WeakPolarHBondContact O-CB 3.34Å; I514-L517 PolarHBondContact O-N 3.33Å; D515-L517 VanDerWaalsContact C-N 3.29Å; D515-L517 PolarHBondContact O-N 3.4Å; L517-G521 WeakPolarHBondContact O-CA 3.11Å; L517-G521 PolarHBondContact O-N 3.09Å; L517-F528 HydrophobicContact CG-CE2 4.38Å
518L93.3Very high89.7Confident22 Ų2254.4 Ų54.412%0.11531%0.312CS..Hα-helixtrans-63.7-50.3177.6-71.7170.3000110.9L386 A389 N390 I514 D515 N520 G521 R522 F528L386-L518 HydrophobicContact CD1-CD2 3.61Å; A389-L518 HydrophobicContact CB-CD2 3.56Å; A389-L518 HydrophobicContact CB-CG 4.05Å; N390-L518 WeakPolarHBondContact OD1-CD2 3.46Å; I514-L518 HydrophobicContact CG2-CD1 4.16Å; I514-L518 HydrophobicContact CG2-CG 4.48Å; I514-L518 WeakPolarHBondContact O-CG 3.36Å; I514-L518 PolarHBondContact O-N 3.26Å; D515-L518 PolarHBondContact O-N 3.02Å; L518-N520 PolarHBondContact O-N 3.33Å; L518-G521 PolarHBondContact O-N 3.04Å; L518-R522 PolarHBondContact O-N 3.05Å; L518-F528 HydrophobicContact CD2-CE2 4.19Å
519D90.2Very high89.7Confident104 Ų10456 Ų5656%0.55632%0.324SS*.Hα-helixtrans-61.6-44.6-179.2-78.4-10.8000112.3D515D515-D519 WeakPolarHBondContact O-CB 3.31Å; D515-D519 PolarHBondContact O-N 3.29Å
520N88.8Confident90Very high63 Ų6350.9 Ų50.934%0.33730%0.3SS..Hα-helixtrans-77.6-27.1178-65.7-48.9000112.3D516 L518 K523D516-N520 WeakPolarHBondContact O-CB 3.38Å; D516-N520 VanDerWaalsContact O-CG 3.24Å; D516-N520 PolarHBondContact O-N 2.67Å; D516-N520 PolarHBondContact O-ND2 2.89Å; L518-N520 PolarHBondContact O-N 3.33Å; N520-K523 PolarHBondContact O-N 2.93Å; N520-K523 PolarHBondContact OD1-NZ 3.3Å
521G87.8Confident90.1Very high4 Ų451.6 Ų51.64%0.04130%0.301CS..Hα-helixtrans-69.2-30.8-179.500000113.5L517 L518 G526 L527 F528 S529L517-G521 WeakPolarHBondContact O-CA 3.11Å; L517-G521 PolarHBondContact O-N 3.09Å; L518-G521 PolarHBondContact O-N 3.04Å; G521-G526 CarbonylContact O-C 3.57Å; G521-G526 VanDerWaalsContact O-C 3.23Å; G521-G526 WeakPolarHBondContact O-CA 3.34Å; G521-L527 PolarHBondContact O-N 3.21Å; G521-F528 CarbonylContact O-C 3.48Å; G521-F528 WeakPolarHBondContact O-CA 3.4Å; G521-F528 WeakPolarHBondContact O-CB 3.29Å; G521-F528 PolarHBondContact O-N 3.32Å; G521-S529 PolarHBondContact O-N 2.88Å
522R87.7Confident90.1Very high103 Ų10350.6 Ų50.639%0.38930%0.298SS..THydrogen-bonded Turntrans-82.4-13.6176.7-66.4-62.7-65.3-128.48.3114.4L518 S537L518-R522 PolarHBondContact O-N 3.05Å; R522-S537 PolarHBondContact NH1-OG 3.15Å; R522-S537 PolarHBondContact NH2-OG 2.75Å
523K88.2Confident90.2Very high120 Ų12050.5 Ų50.552%0.52230%0.297SS..SBendtrans-69.5161.5176.5-67.8173.7-169.5166.10111.4N520 G525 G526 S529N520-K523 PolarHBondContact O-N 2.93Å; N520-K523 PolarHBondContact OD1-NZ 3.3Å; K523-G525 PolarHBondContact O-N 3.44Å; K523-G526 WeakPolarHBondContact O-CA 3.19Å; K523-G526 PolarHBondContact O-N 3.49Å; K523-S529 WeakPolarHBondContact O-CB 3.46Å
524A82Confident90.2Very high102 Ų10252.2 Ų52.284%0.84330%0.303SS*.THydrogen-bonded Turntrans-55.8126.4179.900000111.7G526A524-G526 PolarHBondContact O-N 3.07Å
525G81.8Confident90.2Very high84 Ų8452 Ų5287%0.86630%0.301SS*.THydrogen-bonded Turntrans78.41-17500000114.7K523K523-G525 PolarHBondContact O-N 3.44Å
526G87.2Confident90.2Very high22 Ų2249.6 Ų49.623%0.22729%0.288CS..SBendtrans-72.6166.1174.100000113.1G521 K523 A524 F528 S529G521-G526 CarbonylContact O-C 3.57Å; G521-G526 VanDerWaalsContact O-C 3.23Å; G521-G526 WeakPolarHBondContact O-CA 3.34Å; K523-G526 WeakPolarHBondContact O-CA 3.19Å; K523-G526 PolarHBondContact O-N 3.49Å; A524-G526 PolarHBondContact O-N 3.07Å; G526-F528 PolarHBondContact O-N 2.95Å; G526-S529 PolarHBondContact O-N 3.12Å
527L87Confident90.2Very high20 Ų2046.8 Ų46.811%0.10528%0.275CS..THydrogen-bonded Turntrans-59.8-30.6-174.9-166.162.1000114.2S382 I385 W496 G521S382-L527 PolarHBondContact OG-O 3.36Å; I385-L527 HydrophobicContact CG2-CD2 4.47Å; W496-L527 HydrophobicContact CB-CD1 4.5Å; W496-L527 HydrophobicContact CD2-CD1 3.29Å; W496-L527 HydrophobicContact CD2-CG 4.32Å; W496-L527 VanDerWaalsContact CE2-CD1 3.41Å; W496-L527 HydrophobicContact CE3-CD1 3.45Å; W496-L527 VanDerWaalsContact CE3-CD1 3.45Å; W496-L527 HydrophobicContact CE3-CD2 3.8Å; W496-L527 HydrophobicContact CE3-CG 4.06Å; W496-L527 HydrophobicContact CG-CD1 3.8Å; W496-L527 HydrophobicContact CH2-CD1 3.83Å; W496-L527 HydrophobicContact CH2-CD2 4.01Å; W496-L527 HydrophobicContact CH2-CG 3.88Å; W496-L527 HydrophobicContact CZ2-CD1 3.7Å; W496-L527 HydrophobicContact CZ2-CG 4.16Å; W496-L527 HydrophobicContact CZ3-CD1 3.72Å; W496-L527 HydrophobicContact CZ3-CD2 3.51Å; W496-L527 HydrophobicContact CZ3-CG 3.84Å; G521-L527 PolarHBondContact O-N 3.21Å
528F92Very high90.2Very high0 Ų047.9 Ų47.90%028%0.279CS..THydrogen-bonded Turntrans-108.313.2-174.6-48-49.5000112.3I385 L386 L517 L518 G521 G526 I533I385-F528 HydrophobicContact CB-CE1 4.16Å; I385-F528 HydrophobicContact CG2-CE1 3.68Å; I385-F528 HydrophobicContact CG2-CZ 3.84Å; L386-F528 HydrophobicContact CB-CD1 4.01Å; L386-F528 HydrophobicContact CB-CE1 4.21Å; L386-F528 HydrophobicContact CB-CG 4.39Å; L386-F528 HydrophobicContact CD1-CD2 3.99Å; L386-F528 HydrophobicContact CD1-CE2 4.36Å; L386-F528 HydrophobicContact CD1-CG 4.09Å; L517-F528 HydrophobicContact CG-CE2 4.38Å; L518-F528 HydrophobicContact CD2-CE2 4.19Å; G521-F528 CarbonylContact O-C 3.48Å; G521-F528 WeakPolarHBondContact O-CA 3.4Å; G521-F528 WeakPolarHBondContact O-CB 3.29Å; G521-F528 PolarHBondContact O-N 3.32Å; G526-F528 PolarHBondContact O-N 2.95Å; F528-I533 HydrophobicContact CB-CD1 3.84Å; F528-I533 HydrophobicContact CD1-CD1 4.32Å; F528-I533 WeakPolarHBondContact O-CD1 3.21Å
529S90.5Very high90.1Very high52 Ų5247.3 Ų47.336%0.36428%0.276SS..  trans-98.889.2176.9-173.50000109.7G521 K523 G526G521-S529 PolarHBondContact O-N 2.88Å; K523-S529 WeakPolarHBondContact O-CB 3.46Å; G526-S529 PolarHBondContact O-N 3.12Å
530N93Very high90Very high25 Ų2546.8 Ų46.813%0.13427%0.27CS..SBendtrans-155.3161176.867.673.7000112.1L379 S382 L532 I533 D534L379-N530 HydrophobicContact CD2-CB 3.92Å; S382-N530 PolarHBondContact OG-ND2 3.27Å; N530-L532 VanDerWaalsContact C-N 3.26Å; N530-L532 PolarHBondContact O-N 3.34Å; N530-L532 VanDerWaalsContact O-N 3.16Å; N530-L532 WeakPolarHBondContact OD1-CB 3.43Å; N530-L532 PolarHBondContact OD1-N 3.37Å; N530-L532 VanDerWaalsContact OD1-N 3.12Å; N530-I533 WeakPolarHBondContact ND2-CD1 3.42Å; N530-I533 PolarHBondContact O-N 2.87Å; N530-I533 VanDerWaalsContact O-N 3.13Å; N530-I533 PolarHBondContact OD1-N 3.16Å; N530-I533 VanDerWaalsContact OD1-N 3.12Å; N530-D534 PolarHBondContact O-N 3.4Å
531K92.6Very high90.1Very high153 Ų15347.8 Ų47.867%0.66527%0.273SS*.Hα-helixtrans-57.7-32.3-174.5-65-175.1178.1-1770114.6A535 L563K531-A535 VanDerWaalsContact O-CB 3.29Å; K531-A535 WeakPolarHBondContact O-CB 3.3Å; K531-A535 PolarHBondContact O-N 3.01Å; K531-L563 HydrophobicContact CB-CD1 3.94Å
532L94.3Very high90.2Very high0 Ų048.5 Ų48.50%028%0.275CS..Hα-helixtrans-69.4-47.3179.4-178.8100.8000110.1L379 I380 W383 N530 A535 M536 L563 F564L379-L532 HydrophobicContact CB-CB 3.96Å; L379-L532 HydrophobicContact CB-CD2 3.95Å; L379-L532 HydrophobicContact CB-CG 4.42Å; L379-L532 HydrophobicContact CD1-CB 4.2Å; L379-L532 VanDerWaalsContact O-CD2 3.28Å; L379-L532 WeakPolarHBondContact O-CD2 3.38Å; I380-L532 HydrophobicContact CD1-CD1 3.93Å; I380-L532 HydrophobicContact CD1-CD2 3.78Å; W383-L532 HydrophobicContact CB-CD2 3.81Å; W383-L532 HydrophobicContact CG-CD2 4.43Å; N530-L532 VanDerWaalsContact C-N 3.26Å; N530-L532 PolarHBondContact O-N 3.34Å; N530-L532 VanDerWaalsContact O-N 3.16Å; N530-L532 WeakPolarHBondContact OD1-CB 3.43Å; N530-L532 PolarHBondContact OD1-N 3.37Å; N530-L532 VanDerWaalsContact OD1-N 3.12Å; L532-A535 PolarHBondContact O-N 3.27Å; L532-M536 PolarHBondContact O-N 3.06Å; L532-L563 HydrophobicContact CD1-CB 3.93Å; L532-L563 WeakPolarHBondContact CD1-O 3.37Å; L532-F564 HydrophobicContact CD1-CD1 3.47Å; L532-F564 VanDerWaalsContact CD1-CD1 3.47Å; L532-F564 HydrophobicContact CD1-CE1 3.37Å; L532-F564 HydrophobicContact CD1-CG 4.16Å; L532-F564 HydrophobicContact CD1-CZ 4.06Å; L532-F564 HydrophobicContact CG-CD1 4.44Å; L532-F564 HydrophobicContact CG-CE1 3.98Å
533I94.2Very high90.3Very high0 Ų050.5 Ų50.50%029%0.288CS..Hα-helixtrans-64.3-43.1178.2-62.8-170.2000110.5S382 W383 L386 F528 N530 A535 M536 S537S382-I533 VanDerWaalsContact OG-CD1 3.26Å; S382-I533 WeakPolarHBondContact OG-CD1 3.33Å; W383-I533 HydrophobicContact CE3-CB 4.44Å; W383-I533 HydrophobicContact CE3-CG1 3.98Å; W383-I533 HydrophobicContact CE3-CG2 4.38Å; W383-I533 HydrophobicContact CZ3-CG2 4.32Å; L386-I533 HydrophobicContact CD2-CD1 4.27Å; L386-I533 HydrophobicContact CD2-CG2 3.89Å; F528-I533 HydrophobicContact CB-CD1 3.84Å; F528-I533 HydrophobicContact CD1-CD1 4.32Å; F528-I533 WeakPolarHBondContact O-CD1 3.21Å; N530-I533 WeakPolarHBondContact ND2-CD1 3.42Å; N530-I533 PolarHBondContact O-N 2.87Å; N530-I533 VanDerWaalsContact O-N 3.13Å; N530-I533 PolarHBondContact OD1-N 3.16Å; N530-I533 VanDerWaalsContact OD1-N 3.12Å; I533-A535 VanDerWaalsContact C-N 3.29Å; I533-A535 PolarHBondContact O-N 2.82Å; I533-M536 PolarHBondContact O-N 3.43Å; I533-S537 WeakPolarHBondContact O-CB 3.48Å; I533-S537 PolarHBondContact O-N 3.38Å; I533-S537 PolarHBondContact O-OG 3.3Å
534D92.7Very high90.4Very high84 Ų8450.8 Ų50.845%0.44930%0.295SS..Hα-helixtrans-59-43.2176.6-63.6-30.4000111.4N530 F538N530-D534 PolarHBondContact O-N 3.4Å; D534-F538 VanDerWaalsContact O-CB 3.31Å; D534-F538 WeakPolarHBondContact O-CB 3.22Å; D534-F538 PolarHBondContact O-N 3.35Å
535A93.9Very high90.8Very high1 Ų148.5 Ų48.51%0.00827%0.266CS..Hα-helixtrans-68.3-41177.300000112.8K531 L532 I533 F538 L539 M553 F557 M560 F564K531-A535 VanDerWaalsContact O-CB 3.29Å; K531-A535 WeakPolarHBondContact O-CB 3.3Å; K531-A535 PolarHBondContact O-N 3.01Å; L532-A535 PolarHBondContact O-N 3.27Å; I533-A535 VanDerWaalsContact C-N 3.29Å; I533-A535 PolarHBondContact O-N 2.82Å; A535-F538 PolarHBondContact O-N 2.97Å; A535-L539 WeakPolarHBondContact O-CG 3.49Å; A535-L539 PolarHBondContact O-N 3.1Å; A535-M553 HydrophobicContact CB-CE 3.85Å; A535-F557 HydrophobicContact CB-CE2 4.19Å; A535-M560 HydrophobicContact CB-SD 4.4Å; A535-F564 HydrophobicContact CB-CZ 3.82Å
536M92.3Very high91.3Very high0 Ų047.2 Ų47.20%024%0.244CC..Hα-helixtrans-68.2-46.5177.4-80.6-70.314200112.4W383 L532 I533 F538 L539 E540 F564 M568 K572 V573W383-M536 HydrophobicContact CD2-CB 4.28Å; W383-M536 HydrophobicContact CD2-CG 4.35Å; W383-M536 HydrophobicContact CE3-CB 4.01Å; W383-M536 HydrophobicContact CH2-CB 3.47Å; W383-M536 VanDerWaalsContact CH2-CB 3.47Å; W383-M536 HydrophobicContact CH2-CG 4.33Å; W383-M536 HydrophobicContact CZ2-CB 3.76Å; W383-M536 HydrophobicContact CZ2-CG 4.13Å; W383-M536 HydrophobicContact CZ2-SD 4.44Å; W383-M536 HydrophobicContact CZ3-CB 3.59Å; W383-M536 HydrophobicContact CZ3-CG 4.5Å; L532-M536 PolarHBondContact O-N 3.06Å; I533-M536 PolarHBondContact O-N 3.43Å; M536-F538 PolarHBondContact O-N 2.74Å; M536-L539 HydrophobicContact CE-CD1 3.94Å; M536-L539 PolarHBondContact O-N 3.32Å; M536-L539 HydrophobicContact SD-CD1 4.44Å; M536-E540 PolarHBondContact O-N 2.71Å; M536-F564 HydrophobicContact CE-CD1 3.35Å; M536-F564 HydrophobicContact CE-CE1 3.06Å; M536-F564 HydrophobicContact CE-CG 4.41Å; M536-F564 HydrophobicContact CE-CZ 3.92Å; M536-F564 HydrophobicContact CG-CE1 3.86Å; M536-F564 HydrophobicContact SD-CE1 4.26Å; M536-M568 HydrophobicContact CE-CE 4.19Å; M536-M568 HydrophobicContact SD-CE 4.36Å; M536-K572 HydrophobicContact CE-CD 4.3Å; M536-K572 HydrophobicContact SD-CD 3.77Å; M536-V573 HydrophobicContact CE-CG2 3.96Å
537S91.5Very high91.5Very high15 Ų1548.5 Ų48.511%0.10525%0.252CS..Hα-helixtrans-59-37.2173.7-64.40000111.4R522 I533 E540 E541R522-S537 PolarHBondContact NH1-OG 3.15Å; R522-S537 PolarHBondContact NH2-OG 2.75Å; I533-S537 WeakPolarHBondContact O-CB 3.48Å; I533-S537 PolarHBondContact O-N 3.38Å; I533-S537 PolarHBondContact O-OG 3.3Å; S537-E540 PolarHBondContact O-N 3.4Å; S537-E541 WeakPolarHBondContact O-CB 2.95Å; S537-E541 PolarHBondContact O-N 3.22Å
538F92.9Very high91.7Very high31 Ų3150.8 Ų50.814%0.13627%0.274CS..Hα-helixtrans-63.9-41173.8-169.4-79.1000112.6D534 A535 M536 E541 F542 K545 E549 M553D534-F538 VanDerWaalsContact O-CB 3.31Å; D534-F538 WeakPolarHBondContact O-CB 3.22Å; D534-F538 PolarHBondContact O-N 3.35Å; A535-F538 PolarHBondContact O-N 2.97Å; M536-F538 PolarHBondContact O-N 2.74Å; F538-E541 CarbonylContact O-C 3.5Å; F538-F542 HydrophobicContact CD1-CD2 4.01Å; F538-F542 AromaticContact CE1-CD2 3.61Å; F538-F542 HydrophobicContact CE1-CD2 3.61Å; F538-F542 AromaticContact CE1-CE2 3.79Å; F538-F542 HydrophobicContact CE1-CE2 3.79Å; F538-F542 WeakPolarHBondContact O-CA 3.46Å; F538-F542 PolarHBondContact O-N 2.91Å; F538-K545 HydrophobicContact CD2-CD 4.41Å; F538-K545 HydrophobicContact CD2-CG 4.18Å; F538-K545 HydrophobicContact CE1-CG 4.4Å; F538-K545 HydrophobicContact CE2-CB 4.33Å; F538-K545 HydrophobicContact CE2-CD 4.2Å; F538-K545 HydrophobicContact CE2-CG 3.74Å; F538-K545 HydrophobicContact CZ-CB 4.15Å; F538-K545 HydrophobicContact CZ-CG 3.85Å; F538-E549 HydrophobicContact CE2-CB 4.36Å; F538-E549 HydrophobicContact CZ-CB 4.44Å; F538-M553 HydrophobicContact CB-CE 4.49Å; F538-M553 HydrophobicContact CD1-CB 4.06Å; F538-M553 HydrophobicContact CD1-CG 3.56Å; F538-M553 HydrophobicContact CD2-CB 4.47Å; F538-M553 HydrophobicContact CD2-CG 4.26Å; F538-M553 HydrophobicContact CE1-CB 3.49Å; F538-M553 VanDerWaalsContact CE1-CB 3.49Å; F538-M553 HydrophobicContact CE1-CG 3.52Å; F538-M553 HydrophobicContact CE2-CB 3.94Å; F538-M553 HydrophobicContact CE2-CG 4.22Å; F538-M553 HydrophobicContact CG-CG 3.95Å; F538-M553 HydrophobicContact CZ-CB 3.42Å; F538-M553 VanDerWaalsContact CZ-CB 3.42Å; F538-M553 HydrophobicContact CZ-CG 3.88Å
539L91.7Very high91.7Very high11 Ų1155.6 Ų55.66%0.05830%0.297CS..Hα-helixtrans-67.7-38.3177.5-70.9-178.7000112.3A535 M536 F542 M554 F557 V573A535-L539 WeakPolarHBondContact O-CG 3.49Å; A535-L539 PolarHBondContact O-N 3.1Å; M536-L539 HydrophobicContact CE-CD1 3.94Å; M536-L539 PolarHBondContact O-N 3.32Å; M536-L539 HydrophobicContact SD-CD1 4.44Å; L539-F542 VanDerWaalsContact O-CB 3.3Å; L539-F542 WeakPolarHBondContact O-CB 3.4Å; L539-F542 PolarHBondContact O-N 2.95Å; L539-M554 HydrophobicContact CD2-CE 4.15Å; L539-F557 HydrophobicContact CD1-CE2 3.96Å; L539-F557 HydrophobicContact CD1-CZ 3.59Å; L539-F557 HydrophobicContact CD2-CD2 4.44Å; L539-F557 HydrophobicContact CD2-CE2 3.82Å; L539-F557 HydrophobicContact CD2-CZ 4.14Å; L539-F557 HydrophobicContact CG-CE2 3.87Å; L539-F557 HydrophobicContact CG-CZ 4.04Å; L539-V573 HydrophobicContact CD1-CG1 4.47Å; L539-V573 HydrophobicContact CD1-CG2 4.01Å
540E89Confident91.8Very high92 Ų9253.9 Ų53.943%0.4328%0.283SS..Hα-helixtrans-68.8-37.2178.2-73.4171.6177.700112W383 M536 S537 F542 K572W383-E540 WeakPolarHBondContact CH2-OE1 3.4Å; W383-E540 WeakPolarHBondContact CZ2-OE1 3.43Å; M536-E540 PolarHBondContact O-N 2.71Å; S537-E540 PolarHBondContact O-N 3.4Å; E540-F542 VanDerWaalsContact C-N 3.35Å; E540-K572 IonicContact OE1-NZ 3.39Å; E540-K572 PolarHBondContact OE1-NZ 3.13Å
541E90.2Very high91.7Very high85 Ų8556.4 Ų56.440%0.39729%0.294SS..THydrogen-bonded Turntrans-96.217.3177.8-62.4175-179.200112.8S537 F538 H543 L544 K545S537-E541 WeakPolarHBondContact O-CB 2.95Å; S537-E541 PolarHBondContact O-N 3.22Å; F538-E541 CarbonylContact O-C 3.5Å; E541-H543 VanDerWaalsContact C-N 3.27Å; E541-H543 PolarHBondContact O-N 2.73Å; E541-H543 VanDerWaalsContact O-N 3.14Å; E541-L544 HydrophobicContact CB-CD1 4.34Å; E541-L544 HydrophobicContact CG-CD1 4.43Å; E541-L544 WeakPolarHBondContact O-CA 3.36Å; E541-L544 WeakPolarHBondContact O-CB 3.49Å; E541-L544 PolarHBondContact O-N 2.94Å; E541-K545 PolarHBondContact O-N 2.99Å; E541-K545 WeakPolarHBondContact OE2-CE 3.34Å; E541-K545 IonicContact OE2-NZ 3.89Å; E541-K545 PolarHBondContact OE2-NZ 3.2Å
542F89.8Confident91.7Very high18 Ų1851.9 Ų51.98%0.07929%0.285CS..G310 helixtrans-54.1-43.7-167.1-174-89.7000112.7F538 L539 E540 L544 K545 Q550 M554 A580 L586F538-F542 HydrophobicContact CD1-CD2 4.01Å; F538-F542 AromaticContact CE1-CD2 3.61Å; F538-F542 HydrophobicContact CE1-CD2 3.61Å; F538-F542 AromaticContact CE1-CE2 3.79Å; F538-F542 HydrophobicContact CE1-CE2 3.79Å; F538-F542 WeakPolarHBondContact O-CA 3.46Å; F538-F542 PolarHBondContact O-N 2.91Å; L539-F542 VanDerWaalsContact O-CB 3.3Å; L539-F542 WeakPolarHBondContact O-CB 3.4Å; L539-F542 PolarHBondContact O-N 2.95Å; E540-F542 VanDerWaalsContact C-N 3.35Å; F542-L544 VanDerWaalsContact C-N 3.27Å; F542-L544 PolarHBondContact O-N 3.47Å; F542-K545 PolarHBondContact O-N 3.01Å; F542-Q550 HydrophobicContact CD1-CG 4.45Å; F542-Q550 HydrophobicContact CE1-CB 4.39Å; F542-Q550 HydrophobicContact CE1-CG 3.88Å; F542-Q550 HydrophobicContact CE2-CB 4.12Å; F542-Q550 HydrophobicContact CE2-CG 3.98Å; F542-Q550 HydrophobicContact CZ-CB 3.7Å; F542-Q550 HydrophobicContact CZ-CG 3.6Å; F542-Q550 PolarHBondContact O-NE2 2.97Å; F542-M554 HydrophobicContact CE2-CE 4.19Å; F542-M554 HydrophobicContact CE2-CG 4.36Å; F542-A580 HydrophobicContact CD1-CB 4.01Å; F542-A580 HydrophobicContact CE1-CB 3.48Å; F542-A580 VanDerWaalsContact CE1-CB 3.48Å; F542-A580 HydrophobicContact CZ-CB 3.85Å; F542-L586 HydrophobicContact CE1-CD1 4.03Å; F542-L586 HydrophobicContact CE2-CD1 4.39Å; F542-L586 HydrophobicContact CZ-CD1 3.42Å; F542-L586 VanDerWaalsContact CZ-CD1 3.42Å; F542-L586 HydrophobicContact CZ-CD2 4.37Å; F542-L586 HydrophobicContact CZ-CG 4.31Å
543H88.5Confident91.6Very high145 Ų14553.5 Ų53.567%0.67129%0.293SS*.G310 helixtrans-72.9-14.7-179.465.576.4000114.1E541E541-H543 VanDerWaalsContact C-N 3.27Å; E541-H543 PolarHBondContact O-N 2.73Å; E541-H543 VanDerWaalsContact O-N 3.14Å
544L90.8Very high91.5Very high126 Ų12653.5 Ų53.566%0.6629%0.293SS*.G310 helixtrans-87.1-14.4174.3-57.9177.5000112.1E541 F542E541-L544 HydrophobicContact CB-CD1 4.34Å; E541-L544 HydrophobicContact CG-CD1 4.43Å; E541-L544 WeakPolarHBondContact O-CA 3.36Å; E541-L544 WeakPolarHBondContact O-CB 3.49Å; E541-L544 PolarHBondContact O-N 2.94Å; F542-L544 VanDerWaalsContact C-N 3.27Å; F542-L544 PolarHBondContact O-N 3.47Å
545K91.6Very high91.5Very high54 Ų5452.5 Ų52.524%0.23529%0.288CS..SBendtrans-79.7151.2179.4-53.5-55.2175.6-1690111.3F538 E541 F542 E549 Q550F538-K545 HydrophobicContact CD2-CD 4.41Å; F538-K545 HydrophobicContact CD2-CG 4.18Å; F538-K545 HydrophobicContact CE1-CG 4.4Å; F538-K545 HydrophobicContact CE2-CB 4.33Å; F538-K545 HydrophobicContact CE2-CD 4.2Å; F538-K545 HydrophobicContact CE2-CG 3.74Å; F538-K545 HydrophobicContact CZ-CB 4.15Å; F538-K545 HydrophobicContact CZ-CG 3.85Å; E541-K545 PolarHBondContact O-N 2.99Å; E541-K545 WeakPolarHBondContact OE2-CE 3.34Å; E541-K545 IonicContact OE2-NZ 3.89Å; E541-K545 PolarHBondContact OE2-NZ 3.2Å; F542-K545 PolarHBondContact O-N 3.01Å; K545-E549 HydrophobicContact CB-CB 4.24Å; K545-Q550 HydrophobicContact CB-CG 3.97Å; K545-Q550 PolarHBondContact O-NE2 3.37Å
546S92.3Very high91.3Very high58 Ų5860.5 Ų60.541%0.40632%0.318SS..  trans-68.9158.5174.868.80000111.9A548 E549 Q550S546-A548 PolarHBondContact O-N 3.12Å; S546-E549 WeakPolarHBondContact CB-OE2 3.46Å; S546-E549 PolarHBondContact N-OE2 2.99Å; S546-E549 PolarHBondContact O-N 3.13Å; S546-E549 VanDerWaalsContact O-N 3.12Å; S546-E549 VanDerWaalsContact OG-CD 3.24Å; S546-E549 VanDerWaalsContact OG-CG 3.24Å; S546-E549 WeakPolarHBondContact OG-CG 3.21Å; S546-E549 PolarHBondContact OG-N 2.95Å; S546-E549 PolarHBondContact OG-OE2 3.21Å; S546-Q550 WeakPolarHBondContact O-CG 3.34Å; S546-Q550 PolarHBondContact O-N 3.22Å
547A89.6Confident91.4Very high48 Ų4860.5 Ų60.540%0.39732%0.318SS..Hα-helixtrans-53.5-41.2178.700000113.9Q551 H585A547-Q551 WeakPolarHBondContact O-CG 3.29Å; A547-Q551 PolarHBondContact O-N 2.89Å; A547-Q551 VanDerWaalsContact O-N 3.07Å; A547-H585 WeakPolarHBondContact CA-CE1 3.12Å; A547-H585 WeakPolarHBondContact CA-NE2 3.43Å; A547-H585 WeakPolarHBondContact CB-CE1 3.44Å; A547-H585 WeakPolarHBondContact CB-NE2 3.36Å; A547-H585 PolarHBondContact O-CE1 3.03Å
548A91.5Very high91.6Very high69 Ų6962.4 Ų62.457%0.5733%0.325SS*.Hα-helixtrans-68.5-4118000000111.8S546 Q551 A552S546-A548 PolarHBondContact O-N 3.12Å; A548-Q551 PolarHBondContact O-N 3.09Å; A548-A552 VanDerWaalsContact O-CB 3.28Å; A548-A552 WeakPolarHBondContact O-CB 3.47Å; A548-A552 PolarHBondContact O-N 3.37Å
549E92.3Very high91.7Very high100 Ų10066.8 Ų66.847%0.46735%0.346SS..Hα-helixtrans-65.7-44.4176.4-70.7167.2134.500111.2F538 K545 S546 Q551 A552 M553F538-E549 HydrophobicContact CE2-CB 4.36Å; F538-E549 HydrophobicContact CZ-CB 4.44Å; K545-E549 HydrophobicContact CB-CB 4.24Å; S546-E549 WeakPolarHBondContact CB-OE2 3.46Å; S546-E549 PolarHBondContact N-OE2 2.99Å; S546-E549 PolarHBondContact O-N 3.13Å; S546-E549 VanDerWaalsContact O-N 3.12Å; S546-E549 VanDerWaalsContact OG-CD 3.24Å; S546-E549 VanDerWaalsContact OG-CG 3.24Å; S546-E549 WeakPolarHBondContact OG-CG 3.21Å; S546-E549 PolarHBondContact OG-N 2.95Å; S546-E549 PolarHBondContact OG-OE2 3.21Å; E549-Q551 PolarHBondContact O-N 3.42Å; E549-A552 PolarHBondContact O-N 3.47Å; E549-M553 WeakPolarHBondContact O-CB 3.23Å; E549-M553 PolarHBondContact O-N 3.36Å
550Q92.7Very high91.8Very high17 Ų1767.9 Ų67.98%0.07935%0.351CS..Hα-helixtrans-57.3-47.3176.2-70.9179.80.300111.7F542 K545 S546 M554 H585 L586F542-Q550 HydrophobicContact CD1-CG 4.45Å; F542-Q550 HydrophobicContact CE1-CB 4.39Å; F542-Q550 HydrophobicContact CE1-CG 3.88Å; F542-Q550 HydrophobicContact CE2-CB 4.12Å; F542-Q550 HydrophobicContact CE2-CG 3.98Å; F542-Q550 HydrophobicContact CZ-CB 3.7Å; F542-Q550 HydrophobicContact CZ-CG 3.6Å; F542-Q550 PolarHBondContact O-NE2 2.97Å; K545-Q550 HydrophobicContact CB-CG 3.97Å; K545-Q550 PolarHBondContact O-NE2 3.37Å; S546-Q550 WeakPolarHBondContact O-CG 3.34Å; S546-Q550 PolarHBondContact O-N 3.22Å; Q550-M554 PolarHBondContact O-N 2.95Å; Q550-H585 PolarHBondContact OE1-NE2 2.88Å; Q550-L586 HydrophobicContact CB-CD2 3.97Å
551Q91.7Very high92.1Very high77 Ų7763.5 Ų63.536%0.3633%0.331SS..Hα-helixtrans-65.4-45.2177.3-74.4178.6-8.200112.2A547 A548 E549 M553 M554 N555 H585 L586A547-Q551 WeakPolarHBondContact O-CG 3.29Å; A547-Q551 PolarHBondContact O-N 2.89Å; A547-Q551 VanDerWaalsContact O-N 3.07Å; A548-Q551 PolarHBondContact O-N 3.09Å; E549-Q551 PolarHBondContact O-N 3.42Å; Q551-M553 VanDerWaalsContact C-N 3.31Å; Q551-M553 PolarHBondContact O-N 3.14Å; Q551-M554 PolarHBondContact O-N 3.14Å; Q551-N555 WeakPolarHBondContact O-CB 3.5Å; Q551-N555 PolarHBondContact O-N 3.01Å; Q551-N555 PolarHBondContact O-ND2 2.82Å; Q551-N555 VanDerWaalsContact O-ND2 3.07Å; Q551-H585 PolarHBondContact NE2-O 3.23Å; Q551-L586 HydrophobicContact CG-CD2 3.98Å
552A91.9Very high92.3Very high59 Ų5964 Ų6449%0.48834%0.336SS..Hα-helixtrans-60.1-42.3179.100000111.7A548 E549A548-A552 VanDerWaalsContact O-CB 3.28Å; A548-A552 WeakPolarHBondContact O-CB 3.47Å; A548-A552 PolarHBondContact O-N 3.37Å; E549-A552 PolarHBondContact O-N 3.47Å
553M92Very high92.6Very high33 Ų3364.3 Ų64.316%0.16334%0.339CS..Hα-helixtrans-68.7-48.9177.7-173.760.2175.100112A535 F538 E549 Q551 N555 R556 F557 M560A535-M553 HydrophobicContact CB-CE 3.85Å; F538-M553 HydrophobicContact CB-CE 4.49Å; F538-M553 HydrophobicContact CD1-CB 4.06Å; F538-M553 HydrophobicContact CD1-CG 3.56Å; F538-M553 HydrophobicContact CD2-CB 4.47Å; F538-M553 HydrophobicContact CD2-CG 4.26Å; F538-M553 HydrophobicContact CE1-CB 3.49Å; F538-M553 VanDerWaalsContact CE1-CB 3.49Å; F538-M553 HydrophobicContact CE1-CG 3.52Å; F538-M553 HydrophobicContact CE2-CB 3.94Å; F538-M553 HydrophobicContact CE2-CG 4.22Å; F538-M553 HydrophobicContact CG-CG 3.95Å; F538-M553 HydrophobicContact CZ-CB 3.42Å; F538-M553 VanDerWaalsContact CZ-CB 3.42Å; F538-M553 HydrophobicContact CZ-CG 3.88Å; E549-M553 WeakPolarHBondContact O-CB 3.23Å; E549-M553 PolarHBondContact O-N 3.36Å; Q551-M553 VanDerWaalsContact C-N 3.31Å; Q551-M553 PolarHBondContact O-N 3.14Å; M553-N555 VanDerWaalsContact C-N 3.31Å; M553-N555 PolarHBondContact O-N 3.33Å; M553-R556 CarbonylContact O-C 3.23Å; M553-R556 PolarHBondContact O-N 3.44Å; M553-F557 HydrophobicContact CE-CD2 3.65Å; M553-F557 HydrophobicContact CE-CE2 3.87Å; M553-F557 HydrophobicContact CG-CD2 4.26Å; M553-F557 PolarHBondContact O-N 3.45Å; M553-M560 HydrophobicContact CE-CE 3.2Å; M553-M560 HydrophobicContact CE-SD 4.1Å; M553-M560 HydrophobicContact SD-CE 3.74Å
554M93.1Very high92.9Very high1 Ų157.5 Ų57.51%0.00531%0.307CS..Hα-helixtrans-62.9-35.7-178-82.5-50.4102.900113.6L539 F542 Q550 Q551 R556 F557 V577 L586 C589 V590L539-M554 HydrophobicContact CD2-CE 4.15Å; F542-M554 HydrophobicContact CE2-CE 4.19Å; F542-M554 HydrophobicContact CE2-CG 4.36Å; Q550-M554 PolarHBondContact O-N 2.95Å; Q551-M554 PolarHBondContact O-N 3.14Å; M554-R556 PolarHBondContact O-N 3.32Å; M554-R556 VanDerWaalsContact O-N 3.1Å; M554-F557 HydrophobicContact CE-CB 3.78Å; M554-F557 HydrophobicContact CE-CD2 3.47Å; M554-F557 VanDerWaalsContact CE-CD2 3.47Å; M554-F557 HydrophobicContact CE-CE2 4.3Å; M554-F557 HydrophobicContact CE-CG 3.7Å; M554-F557 PolarHBondContact O-N 3.27Å; M554-F557 HydrophobicContact SD-CB 4.06Å; M554-F557 HydrophobicContact SD-CG 4.34Å; M554-V577 HydrophobicContact SD-CG2 4.13Å; M554-L586 HydrophobicContact CB-CD2 4.25Å; M554-L586 HydrophobicContact CG-CD1 3.92Å; M554-L586 HydrophobicContact CG-CD2 4.09Å; M554-C589 HydrophobicContact CB-CB 4.04Å; M554-V590 HydrophobicContact CG-CG1 4.28Å
555N91Very high93.2Very high62 Ų6251.9 Ų51.933%0.33228%0.278SS..Hα-helixtrans-58.4-25.3175.2-81.8-38.8000113.4Q551 M553 H558 C589Q551-N555 WeakPolarHBondContact O-CB 3.5Å; Q551-N555 PolarHBondContact O-N 3.01Å; Q551-N555 PolarHBondContact O-ND2 2.82Å; Q551-N555 VanDerWaalsContact O-ND2 3.07Å; M553-N555 VanDerWaalsContact C-N 3.31Å; M553-N555 PolarHBondContact O-N 3.33Å; N555-H558 PolarHBondContact O-CE1 3.15Å; N555-H558 VanDerWaalsContact O-CE1 3.22Å; N555-H558 PolarHBondContact O-ND1 3.42Å; N555-C589 PolarHBondContact OD1-SG 3.05Å
556R91.2Very high93.2Very high169 Ų16956 Ų5664%0.63830%0.296SS*.Hα-helixtrans-111.7-6.4-179.9-63.9-178.1178.5168.90.1113.8M553 M554 H558 E559M553-R556 CarbonylContact O-C 3.23Å; M553-R556 PolarHBondContact O-N 3.44Å; M554-R556 PolarHBondContact O-N 3.32Å; M554-R556 VanDerWaalsContact O-N 3.1Å; R556-H558 VanDerWaalsContact C-N 3.28Å; R556-H558 PolarHBondContact O-N 2.89Å; R556-E559 VanDerWaalsContact O-CB 3.32Å; R556-E559 WeakPolarHBondContact O-CB 3.29Å; R556-E559 PolarHBondContact O-N 2.89Å
557F94.7Very high93.2Very high0 Ų057.7 Ų57.70%030%0.3CS..Hα-helixtrans-61.1-37.6-172.6-160.6-81.3000112.7A535 L539 M553 M554 E559 M560 L561 F564 V573 T593A535-F557 HydrophobicContact CB-CE2 4.19Å; L539-F557 HydrophobicContact CD1-CE2 3.96Å; L539-F557 HydrophobicContact CD1-CZ 3.59Å; L539-F557 HydrophobicContact CD2-CD2 4.44Å; L539-F557 HydrophobicContact CD2-CE2 3.82Å; L539-F557 HydrophobicContact CD2-CZ 4.14Å; L539-F557 HydrophobicContact CG-CE2 3.87Å; L539-F557 HydrophobicContact CG-CZ 4.04Å; M553-F557 HydrophobicContact CE-CD2 3.65Å; M553-F557 HydrophobicContact CE-CE2 3.87Å; M553-F557 HydrophobicContact CG-CD2 4.26Å; M553-F557 PolarHBondContact O-N 3.45Å; M554-F557 HydrophobicContact CE-CB 3.78Å; M554-F557 HydrophobicContact CE-CD2 3.47Å; M554-F557 VanDerWaalsContact CE-CD2 3.47Å; M554-F557 HydrophobicContact CE-CE2 4.3Å; M554-F557 HydrophobicContact CE-CG 3.7Å; M554-F557 PolarHBondContact O-N 3.27Å; M554-F557 HydrophobicContact SD-CB 4.06Å; M554-F557 HydrophobicContact SD-CG 4.34Å; F557-E559 PolarHBondContact O-N 2.94Å; F557-E559 VanDerWaalsContact O-N 3.14Å; F557-M560 HydrophobicContact CD2-CE 4.15Å; F557-M560 PolarHBondContact O-N 3.49Å; F557-L561 HydrophobicContact CD1-CD2 4.11Å; F557-L561 HydrophobicContact CD1-CG 4.39Å; F557-L561 HydrophobicContact CE1-CD2 3.84Å; F557-L561 PolarHBondContact O-N 3.35Å; F557-F564 HydrophobicContact CE1-CE2 4.28Å; F557-F564 HydrophobicContact CZ-CE2 4.04Å; F557-F564 HydrophobicContact CZ-CZ 4.13Å; F557-V573 HydrophobicContact CD1-CG1 4.14Å; F557-V573 HydrophobicContact CE1-CB 4.49Å; F557-V573 HydrophobicContact CE1-CG1 3.43Å; F557-V573 VanDerWaalsContact CE1-CG1 3.43Å; F557-V573 HydrophobicContact CE1-CG2 4.2Å; F557-V573 HydrophobicContact CZ-CG1 4.08Å; F557-V573 HydrophobicContact CZ-CG2 4.34Å; F557-T593 HydrophobicContact CD1-CG2 3.81Å
558H94.4Very high93.4Very high55 Ų5555.4 Ų55.426%0.25528%0.281SS..Hα-helixtrans-58.3-25.517772.9-76000114.1N555 R556 M560 L561 P592 T593 K596N555-H558 PolarHBondContact O-CE1 3.15Å; N555-H558 VanDerWaalsContact O-CE1 3.22Å; N555-H558 PolarHBondContact O-ND1 3.42Å; R556-H558 VanDerWaalsContact C-N 3.28Å; R556-H558 PolarHBondContact O-N 2.89Å; H558-M560 VanDerWaalsContact C-N 3.34Å; H558-L561 HydrophobicContact CB-CD1 4.43Å; H558-P592 HydrophobicContact CB-CB 4.01Å; H558-T593 PolarHBondContact N-OG1 3.08Å; H558-K596 WeakPolarHBondContact O-CD 3.47Å; H558-K596 PolarHBondContact O-NZ 3.21Å
559E95.2Very high93.7Very high123 Ų12352.7 Ų52.758%0.57526%0.257SS*.Hα-helixtrans-74.3-27176.1-56.8173.4-169.700111.9R556 F557R556-E559 VanDerWaalsContact O-CB 3.32Å; R556-E559 WeakPolarHBondContact O-CB 3.29Å; R556-E559 PolarHBondContact O-N 2.89Å; F557-E559 PolarHBondContact O-N 2.94Å; F557-E559 VanDerWaalsContact O-N 3.14Å
560M94.6Very high93.8Very high35 Ų3549.8 Ų49.817%0.17224%0.244CC..Hα-helixtrans-91.3-8.5-179.7-67.9176.9-68.900113.2A535 M553 F557 H558 D562 L563 F564A535-M560 HydrophobicContact CB-SD 4.4Å; M553-M560 HydrophobicContact CE-CE 3.2Å; M553-M560 HydrophobicContact CE-SD 4.1Å; M553-M560 HydrophobicContact SD-CE 3.74Å; F557-M560 HydrophobicContact CD2-CE 4.15Å; F557-M560 PolarHBondContact O-N 3.49Å; H558-M560 VanDerWaalsContact C-N 3.34Å; M560-D562 PolarHBondContact O-N 2.88Å; M560-D562 VanDerWaalsContact O-N 3.08Å; M560-L563 HydrophobicContact CB-CD1 4.24Å; M560-L563 HydrophobicContact CG-CD1 4.41Å; M560-L563 VanDerWaalsContact O-CB 3.26Å; M560-L563 WeakPolarHBondContact O-CB 3.37Å; M560-L563 WeakPolarHBondContact O-CG 3.41Å; M560-L563 PolarHBondContact O-N 2.94Å; M560-F564 HydrophobicContact CB-CE2 4.35Å; M560-F564 VanDerWaalsContact O-CD2 3.28Å; M560-F564 WeakPolarHBondContact O-CD2 3.29Å; M560-F564 VanDerWaalsContact O-CE2 3.25Å; M560-F564 WeakPolarHBondContact O-CE2 3.47Å
561L95.5Very high93.9Very high0 Ų052 Ų520%026%0.256CS..G310 helixtrans-54.9-32.1-176.6-79.7175.8000113.4F557 H558 L563 F564 Q569 V573 T593 K596 I597F557-L561 HydrophobicContact CD1-CD2 4.11Å; F557-L561 HydrophobicContact CD1-CG 4.39Å; F557-L561 HydrophobicContact CE1-CD2 3.84Å; F557-L561 PolarHBondContact O-N 3.35Å; H558-L561 HydrophobicContact CB-CD1 4.43Å; L561-L563 PolarHBondContact O-N 2.85Å; L561-F564 PolarHBondContact O-N 2.79Å; L561-Q569 HydrophobicContact CD2-CG 4.08Å; L561-Q569 PolarHBondContact O-NE2 3.37Å; L561-V573 HydrophobicContact CD2-CG1 4.1Å; L561-T593 HydrophobicContact CD1-CG2 4.1Å; L561-T593 HydrophobicContact CD2-CG2 4.34Å; L561-K596 HydrophobicContact CB-CD 4.31Å; L561-K596 HydrophobicContact CD1-CB 3.76Å; L561-K596 HydrophobicContact CD1-CD 3.81Å; L561-K596 HydrophobicContact CD1-CG 3.71Å; L561-I597 HydrophobicContact CD1-CD1 4.41Å; L561-I597 HydrophobicContact CD1-CG1 3.77Å; L561-I597 HydrophobicContact CD2-CD1 3.97Å; L561-I597 HydrophobicContact CD2-CG1 3.94Å
562D94.2Very high94Very high94 Ų9449.3 Ų49.350%0.50324%0.244SC..G310 helixtrans-71.4-12.4-178-53.9-33.7000112.8H376 M560 F564 K596H376-D562 PolarHBondContact CD2-O 3.23Å; M560-D562 PolarHBondContact O-N 2.88Å; M560-D562 VanDerWaalsContact O-N 3.08Å; D562-F564 PolarHBondContact O-N 2.84Å; D562-K596 VanDerWaalsContact CG-NZ 3.25Å; D562-K596 VanDerWaalsContact OD1-CE 3.25Å; D562-K596 WeakPolarHBondContact OD1-CE 3.31Å; D562-K596 IonicContact OD1-NZ 3.86Å; D562-K596 PolarHBondContact OD1-NZ 3.47Å; D562-K596 IonicContact OD2-NZ 3.69Å; D562-K596 PolarHBondContact OD2-NZ 3.06Å
563L95.7Very high94.2Very high26 Ų2646.5 Ų46.514%0.13622%0.22CC..G310 helixtrans-73.8-16.6171.1-55.8179.8000112.6F374 L379 K531 L532 M560 L561F374-L563 WeakPolarHBondContact CZ-O 3.33Å; L379-L563 HydrophobicContact CD1-CD2 4.09Å; K531-L563 HydrophobicContact CB-CD1 3.94Å; L532-L563 HydrophobicContact CD1-CB 3.93Å; L532-L563 WeakPolarHBondContact CD1-O 3.37Å; M560-L563 HydrophobicContact CB-CD1 4.24Å; M560-L563 HydrophobicContact CG-CD1 4.41Å; M560-L563 VanDerWaalsContact O-CB 3.26Å; M560-L563 WeakPolarHBondContact O-CB 3.37Å; M560-L563 WeakPolarHBondContact O-CG 3.41Å; M560-L563 PolarHBondContact O-N 2.94Å; L561-L563 PolarHBondContact O-N 2.85Å
564F95.6Very high94.4Very high2 Ų245 Ų451%0.00921%0.213CC..SBendtrans-105.8134.6-175.6-54.6-82.7000111.5L532 A535 M536 F557 M560 L561 D562 M568 Q569L532-F564 HydrophobicContact CD1-CD1 3.47Å; L532-F564 VanDerWaalsContact CD1-CD1 3.47Å; L532-F564 HydrophobicContact CD1-CE1 3.37Å; L532-F564 HydrophobicContact CD1-CG 4.16Å; L532-F564 HydrophobicContact CD1-CZ 4.06Å; L532-F564 HydrophobicContact CG-CD1 4.44Å; L532-F564 HydrophobicContact CG-CE1 3.98Å; A535-F564 HydrophobicContact CB-CZ 3.82Å; M536-F564 HydrophobicContact CE-CD1 3.35Å; M536-F564 HydrophobicContact CE-CE1 3.06Å; M536-F564 HydrophobicContact CE-CG 4.41Å; M536-F564 HydrophobicContact CE-CZ 3.92Å; M536-F564 HydrophobicContact CG-CE1 3.86Å; M536-F564 HydrophobicContact SD-CE1 4.26Å; F557-F564 HydrophobicContact CE1-CE2 4.28Å; F557-F564 HydrophobicContact CZ-CE2 4.04Å; F557-F564 HydrophobicContact CZ-CZ 4.13Å; M560-F564 HydrophobicContact CB-CE2 4.35Å; M560-F564 VanDerWaalsContact O-CD2 3.28Å; M560-F564 WeakPolarHBondContact O-CD2 3.29Å; M560-F564 VanDerWaalsContact O-CE2 3.25Å; M560-F564 WeakPolarHBondContact O-CE2 3.47Å; L561-F564 PolarHBondContact O-N 2.79Å; D562-F564 PolarHBondContact O-N 2.84Å; F564-M568 HydrophobicContact CB-CB 4.35Å; F564-Q569 HydrophobicContact CB-CG 3.73Å; F564-Q569 PolarHBondContact O-NE2 2.59Å
565P95.3Very high94.4Very high8 Ų848 Ų485%0.05223%0.233CC..  trans-52.2150.4165-25.833.4000111.7L371 F374 I380 D567 M568 Q569L371-P565 HydrophobicContact CD2-CB 4.29Å; L371-P565 HydrophobicContact CD2-CG 3.73Å; F374-P565 HydrophobicContact CD1-CG 4.16Å; F374-P565 HydrophobicContact CE1-CG 3.91Å; F374-P565 HydrophobicContact CZ-CG 4.17Å; I380-P565 HydrophobicContact CD1-CG 3.89Å; I380-P565 HydrophobicContact CG1-CG 4.04Å; P565-D567 VanDerWaalsContact C-N 3.26Å; P565-D567 PolarHBondContact O-N 2.93Å; P565-M568 HydrophobicContact CB-CG 4.34Å; P565-M568 HydrophobicContact CG-CG 4.37Å; P565-M568 HydrophobicContact CG-SD 4.03Å; P565-M568 WeakPolarHBondContact O-CB 3.41Å; P565-M568 PolarHBondContact O-N 3.4Å; P565-Q569 PolarHBondContact O-N 2.95Å; P565-Q569 VanDerWaalsContact O-N 3.08Å
566K92.8Very high94.4Very high140 Ų14046.4 Ų46.461%0.60923%0.226SC*.Hα-helixtrans-55-43.4-176.8-66.3-177.6179.3-179.90112.2M568 Q569 I570 L600K566-M568 VanDerWaalsContact C-N 3.31Å; K566-M568 PolarHBondContact O-N 2.9Å; K566-Q569 WeakPolarHBondContact O-CB 3.28Å; K566-Q569 PolarHBondContact O-N 3.31Å; K566-Q569 VanDerWaalsContact O-N 3.1Å; K566-I570 WeakPolarHBondContact O-CG1 3.37Å; K566-I570 PolarHBondContact O-N 2.9Å; K566-L600 HydrophobicContact CB-CD1 4.39Å; K566-L600 HydrophobicContact CD-CD2 4.36Å; K566-L600 HydrophobicContact CG-CD1 4.26Å; K566-L600 HydrophobicContact CG-CD2 4.39Å
567D91.2Very high94.4Very high93 Ų9338.4 Ų38.450%0.49720%0.196SC..Hα-helixtrans-62.5-39.1-179.6-52.6-38.5000111.4P565 Q569 I570 N571P565-D567 VanDerWaalsContact C-N 3.26Å; P565-D567 PolarHBondContact O-N 2.93Å; D567-Q569 PolarHBondContact O-N 3.23Å; D567-I570 PolarHBondContact O-N 2.97Å; D567-N571 VanDerWaalsContact O-CB 3.24Å; D567-N571 WeakPolarHBondContact O-CB 3.39Å; D567-N571 PolarHBondContact O-N 2.85Å; D567-N571 PolarHBondContact O-ND2 3.16Å
568M94.9Very high94.3Very high0 Ų039.1 Ų39.10%020%0.201CC..Hα-helixtrans-66.5-37.7174.4-65.2-173.172.100112.3I380 Q416 M536 F564 P565 K566 I570 K572 V573I380-M568 HydrophobicContact CD1-SD 3.94Å; Q416-M568 WeakPolarHBondContact O-CG 3.44Å; M536-M568 HydrophobicContact CE-CE 4.19Å; M536-M568 HydrophobicContact SD-CE 4.36Å; F564-M568 HydrophobicContact CB-CB 4.35Å; P565-M568 HydrophobicContact CB-CG 4.34Å; P565-M568 HydrophobicContact CG-CG 4.37Å; P565-M568 HydrophobicContact CG-SD 4.03Å; P565-M568 WeakPolarHBondContact O-CB 3.41Å; P565-M568 PolarHBondContact O-N 3.4Å; K566-M568 VanDerWaalsContact C-N 3.31Å; K566-M568 PolarHBondContact O-N 2.9Å; M568-I570 VanDerWaalsContact C-N 3.32Å; M568-I570 PolarHBondContact O-N 2.78Å; M568-K572 WeakPolarHBondContact O-CA 3.39Å; M568-K572 VanDerWaalsContact O-CB 3.31Å; M568-K572 WeakPolarHBondContact O-CB 3.37Å; M568-K572 PolarHBondContact O-N 2.95Å; M568-V573 PolarHBondContact O-N 3.1Å
569Q96.8Very high94.1Very high13 Ų1342.5 Ų42.56%0.06122%0.217CC..Iπ-helixtrans-62.6-42.2176-64-17747.100111.3L561 F564 P565 K566 D567 L574 I597 L600L561-Q569 HydrophobicContact CD2-CG 4.08Å; L561-Q569 PolarHBondContact O-NE2 3.37Å; F564-Q569 HydrophobicContact CB-CG 3.73Å; F564-Q569 PolarHBondContact O-NE2 2.59Å; P565-Q569 PolarHBondContact O-N 2.95Å; P565-Q569 VanDerWaalsContact O-N 3.08Å; K566-Q569 WeakPolarHBondContact O-CB 3.28Å; K566-Q569 PolarHBondContact O-N 3.31Å; K566-Q569 VanDerWaalsContact O-N 3.1Å; D567-Q569 PolarHBondContact O-N 3.23Å; Q569-L574 WeakPolarHBondContact O-CB 3.42Å; Q569-L574 PolarHBondContact O-N 3.23Å; Q569-I597 HydrophobicContact CB-CG1 4.34Å; Q569-I597 HydrophobicContact CB-CG2 4.48Å; Q569-L600 HydrophobicContact CB-CD1 4.19Å
570I95.6Very high93.7Very high39 Ų3937 Ų3720%0.219%0.193CC..Iπ-helixtrans-78.4-45.6-176.7-63.2167.5000111.6K566 D567 M568 P575 I597 L600 L601K566-I570 WeakPolarHBondContact O-CG1 3.37Å; K566-I570 PolarHBondContact O-N 2.9Å; D567-I570 PolarHBondContact O-N 2.97Å; M568-I570 VanDerWaalsContact C-N 3.32Å; M568-I570 PolarHBondContact O-N 2.78Å; I570-P575 VanDerWaalsContact O-CD 3.23Å; I570-P575 WeakPolarHBondContact O-CD 3.38Å; I570-I597 HydrophobicContact CG1-CG2 4.34Å; I570-L600 HydrophobicContact CD1-CB 4.17Å; I570-L600 HydrophobicContact CG1-CB 4.47Å; I570-L601 HydrophobicContact CB-CD2 4.44Å; I570-L601 HydrophobicContact CD1-CD2 3.93Å; I570-L601 HydrophobicContact CG1-CD2 3.83Å; I570-L601 HydrophobicContact CG2-CD2 3.78Å
571N93.9Very high93.4Very high62 Ų6236.1 Ų36.133%0.33219%0.188SC..Iπ-helixtrans-95.8-19.6-168.8-61.2-29.7000113.8D415 D567 P575D415-N571 WeakPolarHBondContact O-CB 3.45Å; D415-N571 PolarHBondContact O-ND2 2.86Å; D567-N571 VanDerWaalsContact O-CB 3.24Å; D567-N571 WeakPolarHBondContact O-CB 3.39Å; D567-N571 PolarHBondContact O-N 2.85Å; D567-N571 PolarHBondContact O-ND2 3.16Å; N571-P575 WeakPolarHBondContact O-CG 3.35Å
572K94.4Very high92.8Very high21 Ų2142.7 Ų42.79%0.09122%0.217CC..Iπ-helixtrans-113.6-57.3179.3-165.7169-178.6172.50112.3Q416 D418 M536 E540 M568 C576Q416-K572 HydrophobicContact CB-CB 4.05Å; Q416-K572 HydrophobicContact CB-CD 4.27Å; Q416-K572 HydrophobicContact CB-CG 4.31Å; D418-K572 VanDerWaalsContact CG-NZ 3.26Å; D418-K572 IonicContact OD1-NZ 3.24Å; D418-K572 PolarHBondContact OD1-NZ 3.14Å; D418-K572 IonicContact OD2-NZ 3.87Å; D418-K572 PolarHBondContact OD2-NZ 3.3Å; D418-K572 VanDerWaalsContact OD2-NZ 3.09Å; M536-K572 HydrophobicContact CE-CD 4.3Å; M536-K572 HydrophobicContact SD-CD 3.77Å; E540-K572 IonicContact OE1-NZ 3.39Å; E540-K572 PolarHBondContact OE1-NZ 3.13Å; M568-K572 WeakPolarHBondContact O-CA 3.39Å; M568-K572 VanDerWaalsContact O-CB 3.31Å; M568-K572 WeakPolarHBondContact O-CB 3.37Å; M568-K572 PolarHBondContact O-N 2.95Å; K572-C576 WeakPolarHBondContact O-CB 3.23Å; K572-C576 PolarHBondContact O-N 2.97Å
573V95.8Very high92Very high0 Ų046.4 Ų46.40%023%0.229CC..Iπ-helixtrans-67.4-51.1-174.8179.90000111.5M536 L539 F557 L561 M568 C576 V577 T593 I597M536-V573 HydrophobicContact CE-CG2 3.96Å; L539-V573 HydrophobicContact CD1-CG1 4.47Å; L539-V573 HydrophobicContact CD1-CG2 4.01Å; F557-V573 HydrophobicContact CD1-CG1 4.14Å; F557-V573 HydrophobicContact CE1-CB 4.49Å; F557-V573 HydrophobicContact CE1-CG1 3.43Å; F557-V573 VanDerWaalsContact CE1-CG1 3.43Å; F557-V573 HydrophobicContact CE1-CG2 4.2Å; F557-V573 HydrophobicContact CZ-CG1 4.08Å; F557-V573 HydrophobicContact CZ-CG2 4.34Å; L561-V573 HydrophobicContact CD2-CG1 4.1Å; M568-V573 PolarHBondContact O-N 3.1Å; V573-C576 WeakPolarHBondContact O-CB 3.38Å; V573-C576 PolarHBondContact O-N 3.09Å; V573-V577 HydrophobicContact CG1-CG2 3.94Å; V573-V577 VanDerWaalsContact O-CG2 3.31Å; V573-V577 WeakPolarHBondContact O-CG2 3.25Å; V573-V577 PolarHBondContact O-N 2.63Å; V573-T593 HydrophobicContact CG1-CG2 4.38Å; V573-I597 HydrophobicContact CB-CD1 4.19Å; V573-I597 HydrophobicContact CG1-CD1 3.77Å
574L95.7Very high91.2Very high3 Ų346.8 Ų46.82%0.01624%0.239CC..Hα-helixtrans-60.2-45.8-175.8169.964.3000113.3Q569 C576 V577 S578 L594 I597 L601 H609 I610Q569-L574 WeakPolarHBondContact O-CB 3.42Å; Q569-L574 PolarHBondContact O-N 3.23Å; L574-C576 VanDerWaalsContact C-N 3.35Å; L574-C576 PolarHBondContact O-N 2.8Å; L574-V577 PolarHBondContact O-N 2.91Å; L574-S578 VanDerWaalsContact O-CB 3.28Å; L574-S578 WeakPolarHBondContact O-CB 3.48Å; L574-S578 PolarHBondContact O-N 3.08Å; L574-S578 PolarHBondContact O-OG 3.43Å; L574-L594 HydrophobicContact CD1-CD2 3.54Å; L574-I597 HydrophobicContact CB-CD1 4.14Å; L574-I597 HydrophobicContact CB-CG2 4.15Å; L574-I597 HydrophobicContact CD2-CG2 4.21Å; L574-L601 HydrophobicContact CD2-CD1 4Å; L574-H609 HydrophobicContact CD2-CB 3.86Å; L574-I610 HydrophobicContact CD1-CD1 3.51Å; L574-I610 HydrophobicContact CD2-CD1 4.18Å
575P92.9Very high90.5Very high63 Ų6351 Ų5141%0.40926%0.259SS..Hα-helixtrans-58.5-43.9173.4-29.637.5000112.9I570 N571 S578 Q579I570-P575 VanDerWaalsContact O-CD 3.23Å; I570-P575 WeakPolarHBondContact O-CD 3.38Å; N571-P575 WeakPolarHBondContact O-CG 3.35Å; P575-S578 PolarHBondContact O-N 3Å; P575-Q579 WeakPolarHBondContact O-CB 3.42Å; P575-Q579 PolarHBondContact O-N 3.07Å
576C91.4Very high90Very high28 Ų2850.8 Ų50.819%0.18926%0.257CS..Hα-helixtrans-60.1-49.8177-176.70000111.4K572 V573 L574 S578 Q579 A580K572-C576 WeakPolarHBondContact O-CB 3.23Å; K572-C576 PolarHBondContact O-N 2.97Å; V573-C576 WeakPolarHBondContact O-CB 3.38Å; V573-C576 PolarHBondContact O-N 3.09Å; L574-C576 VanDerWaalsContact C-N 3.35Å; L574-C576 PolarHBondContact O-N 2.8Å; C576-S578 VanDerWaalsContact C-N 3.32Å; C576-S578 PolarHBondContact O-N 2.76Å; C576-Q579 PolarHBondContact O-N 3.32Å; C576-A580 VanDerWaalsContact O-CB 3.27Å; C576-A580 WeakPolarHBondContact O-CB 3.24Å; C576-A580 PolarHBondContact O-N 3.42Å
577V92.7Very high89.8Confident1 Ų144.9 Ų44.91%0.00624%0.236CC..Hα-helixtrans-62.6-39.1178.2174.60000111.6M554 V573 L574 A580 L581 V590 T593 L594M554-V577 HydrophobicContact SD-CG2 4.13Å; V573-V577 HydrophobicContact CG1-CG2 3.94Å; V573-V577 VanDerWaalsContact O-CG2 3.31Å; V573-V577 WeakPolarHBondContact O-CG2 3.25Å; V573-V577 PolarHBondContact O-N 2.63Å; L574-V577 PolarHBondContact O-N 2.91Å; V577-A580 PolarHBondContact O-N 3.47Å; V577-L581 PolarHBondContact O-N 3.37Å; V577-V590 HydrophobicContact CG1-CB 3.64Å; V577-V590 HydrophobicContact CG1-CG1 3.81Å; V577-T593 HydrophobicContact CG2-CG2 4.05Å; V577-L594 HydrophobicContact CB-CD2 4.5Å; V577-L594 HydrophobicContact CG1-CD2 3.77Å; V577-L594 HydrophobicContact CG1-CG 3.97Å
578S92Very high89.8Confident16 Ų1644 Ų4411%0.11223%0.226CC..Hα-helixtrans-66.5-40.9177.8-59.40000111.9L574 P575 C576 L581 K582L574-S578 VanDerWaalsContact O-CB 3.28Å; L574-S578 WeakPolarHBondContact O-CB 3.48Å; L574-S578 PolarHBondContact O-N 3.08Å; L574-S578 PolarHBondContact O-OG 3.43Å; P575-S578 PolarHBondContact O-N 3Å; C576-S578 VanDerWaalsContact C-N 3.32Å; C576-S578 PolarHBondContact O-N 2.76Å; S578-L581 PolarHBondContact O-N 3.2Å; S578-K582 WeakPolarHBondContact O-CG 3.44Å; S578-K582 PolarHBondContact O-N 3.26Å; S578-K582 VanDerWaalsContact O-N 3.12Å
579Q89.2Confident89.6Confident125 Ų12544.1 Ų44.158%0.58423%0.227SC*.Hα-helixtrans-67.7-41.7175.5-171.6171.90.200111.2P575 C576 L581 K582 F583P575-Q579 WeakPolarHBondContact O-CB 3.42Å; P575-Q579 PolarHBondContact O-N 3.07Å; C576-Q579 PolarHBondContact O-N 3.32Å; Q579-L581 VanDerWaalsContact C-N 3.26Å; Q579-L581 PolarHBondContact O-N 3.14Å; Q579-K582 PolarHBondContact O-N 3.03Å; Q579-K582 VanDerWaalsContact O-N 3.16Å; Q579-F583 HydrophobicContact CG-CD2 3.81Å; Q579-F583 HydrophobicContact CG-CE2 4.16Å; Q579-F583 WeakPolarHBondContact O-CD2 3.12Å; Q579-F583 PolarHBondContact O-N 3.46Å
580A86.8Confident89.5Confident9 Ų943.5 Ų43.57%0.07422%0.224CC..Hα-helixtrans-62.7-30.917600000112.9F542 C576 V577 G584 L586F542-A580 HydrophobicContact CD1-CB 4.01Å; F542-A580 HydrophobicContact CE1-CB 3.48Å; F542-A580 VanDerWaalsContact CE1-CB 3.48Å; F542-A580 HydrophobicContact CZ-CB 3.85Å; C576-A580 VanDerWaalsContact O-CB 3.27Å; C576-A580 WeakPolarHBondContact O-CB 3.24Å; C576-A580 PolarHBondContact O-N 3.42Å; V577-A580 PolarHBondContact O-N 3.47Å; A580-G584 WeakPolarHBondContact O-CA 3.47Å; A580-G584 PolarHBondContact O-N 2.83Å; A580-L586 HydrophobicContact CB-CD1 3.69Å
581L88.6Confident89.3Confident15 Ų1541.7 Ų41.78%0.07922%0.215CC..Hα-helixtrans-72-45.1170.7175.762.3000112.3V577 S578 Q579 F583 V590 L594 C613 L617V577-L581 PolarHBondContact O-N 3.37Å; S578-L581 PolarHBondContact O-N 3.2Å; Q579-L581 VanDerWaalsContact C-N 3.26Å; Q579-L581 PolarHBondContact O-N 3.14Å; L581-F583 PolarHBondContact O-N 3.36Å; L581-V590 HydrophobicContact CB-CG2 4.21Å; L581-V590 HydrophobicContact CD1-CG2 4.03Å; L581-V590 HydrophobicContact CD2-CG2 4.19Å; L581-V590 HydrophobicContact CG-CG2 4.37Å; L581-L594 HydrophobicContact CD2-CD1 4.45Å; L581-C613 HydrophobicContact CD2-CB 3.49Å; L581-C613 VanDerWaalsContact CD2-CB 3.49Å; L581-L617 HydrophobicContact CD1-CD2 3.45Å; L581-L617 VanDerWaalsContact CD1-CD2 3.45Å; L581-L617 HydrophobicContact CD1-CG 4.03Å; L581-L617 HydrophobicContact CD2-CD1 4.35Å; L581-L617 HydrophobicContact CD2-CD2 4.33Å; L581-L617 HydrophobicContact CD2-CG 4Å
582K82.7Confident89.4Confident138 Ų13840.1 Ų40.160%0.621%0.208SC*.Hα-helixtrans-65.8-36.9-175.9-75.6177.8-178.8179.80113.1S578 Q579S578-K582 WeakPolarHBondContact O-CG 3.44Å; S578-K582 PolarHBondContact O-N 3.26Å; S578-K582 VanDerWaalsContact O-N 3.12Å; Q579-K582 PolarHBondContact O-N 3.03Å; Q579-K582 VanDerWaalsContact O-N 3.16Å
583F78.9Confident89.4Confident173 Ų17339.1 Ų39.176%0.75920%0.204SC*.Hα-helixtrans-1175.6-173.4-57.1-72.2000113.7Q579 L581Q579-F583 HydrophobicContact CG-CD2 3.81Å; Q579-F583 HydrophobicContact CG-CE2 4.16Å; Q579-F583 WeakPolarHBondContact O-CD2 3.12Å; Q579-F583 PolarHBondContact O-N 3.46Å; L581-F583 PolarHBondContact O-N 3.36Å
584G77.4Confident89.4Confident33 Ų3339.1 Ų39.134%0.3420%0.204SC..SBendtrans-122.9178.4-17700000114.3A580A580-G584 WeakPolarHBondContact O-CA 3.47Å; A580-G584 PolarHBondContact O-N 2.83Å
585H80.8Confident89.3Confident92 Ų9239.4 Ų39.443%0.42621%0.205SC..SBendtrans-104.824.7-176.657.759.4000112.6A547 Q550 Q551A547-H585 WeakPolarHBondContact CA-CE1 3.12Å; A547-H585 WeakPolarHBondContact CA-NE2 3.43Å; A547-H585 WeakPolarHBondContact CB-CE1 3.44Å; A547-H585 WeakPolarHBondContact CB-NE2 3.36Å; A547-H585 PolarHBondContact O-CE1 3.03Å; Q550-H585 PolarHBondContact OE1-NE2 2.88Å; Q551-H585 PolarHBondContact NE2-O 3.23Å
586L86Confident89.5Confident3 Ų339.2 Ų39.22%0.01620%0.198CC..  trans-76-30.9-173.3-69.1166.3000112.9F542 Q550 Q551 M554 A580 Y588 C589 V590F542-L586 HydrophobicContact CE1-CD1 4.03Å; F542-L586 HydrophobicContact CE2-CD1 4.39Å; F542-L586 HydrophobicContact CZ-CD1 3.42Å; F542-L586 VanDerWaalsContact CZ-CD1 3.42Å; F542-L586 HydrophobicContact CZ-CD2 4.37Å; F542-L586 HydrophobicContact CZ-CG 4.31Å; Q550-L586 HydrophobicContact CB-CD2 3.97Å; Q551-L586 HydrophobicContact CG-CD2 3.98Å; M554-L586 HydrophobicContact CB-CD2 4.25Å; M554-L586 HydrophobicContact CG-CD1 3.92Å; M554-L586 HydrophobicContact CG-CD2 4.09Å; A580-L586 HydrophobicContact CB-CD1 3.69Å; L586-Y588 PolarHBondContact O-N 3.21Å; L586-C589 HydrophobicContact CB-CB 4.43Å; L586-C589 HydrophobicContact CD2-CB 4.48Å; L586-C589 VanDerWaalsContact O-CB 3.32Å; L586-C589 WeakPolarHBondContact O-CB 3.44Å; L586-C589 PolarHBondContact O-N 2.87Å; L586-C589 PolarHBondContact O-SG 3.4Å; L586-C589 VanDerWaalsContact O-SG 3.38Å; L586-V590 HydrophobicContact CB-CG1 3.86Å; L586-V590 HydrophobicContact CD1-CG1 3.73Å; L586-V590 HydrophobicContact CG-CG1 4.41Å
587G88.3Confident89.8Confident16 Ų1637.9 Ų37.917%0.16519%0.189CC..G310 helixtrans47.8-125-178.400000111.4C589 V590 L617G587-C589 PolarHBondContact O-N 2.71Å; G587-C589 VanDerWaalsContact O-N 3.14Å; G587-V590 WeakPolarHBondContact O-CG2 3.46Å; G587-L617 VanDerWaalsContact O-CD2 3.26Å; G587-L617 WeakPolarHBondContact O-CD2 3.48Å
588Y90.1Very high89.9Confident74 Ų7438 Ų3829%0.2919%0.19SC..G310 helixtrans-61.9-18.9-178.676.2-85000116.5L586 V590 L591 T624 T625 K628L586-Y588 PolarHBondContact O-N 3.21Å; Y588-V590 PolarHBondContact O-N 2.89Å; Y588-V590 VanDerWaalsContact O-N 3.11Å; Y588-L591 VanDerWaalsContact O-CB 3.28Å; Y588-L591 WeakPolarHBondContact O-CB 3.35Å; Y588-L591 PolarHBondContact O-N 2.98Å; Y588-T624 HydrophobicContact CD1-CG2 3.78Å; Y588-T624 HydrophobicContact CE1-CG2 3.36Å; Y588-T624 HydrophobicContact CE2-CG2 4.41Å; Y588-T624 HydrophobicContact CG-CG2 4.46Å; Y588-T625 PolarHBondContact N-OG1 3.34Å; Y588-T625 VanDerWaalsContact N-OG1 3.12Å; Y588-K628 HydrophobicContact CD2-CB 4.43Å; Y588-K628 HydrophobicContact CD2-CG 4.26Å; Y588-K628 HydrophobicContact CG-CB 4.39Å
589C92.2Very high90Very high2 Ų245.1 Ų45.11%0.01422%0.219CC..G310 helixtrans-59.6-26.5-176.5-63.40000112.2M554 N555 L586 G587M554-C589 HydrophobicContact CB-CB 4.04Å; N555-C589 PolarHBondContact OD1-SG 3.05Å; L586-C589 HydrophobicContact CB-CB 4.43Å; L586-C589 HydrophobicContact CD2-CB 4.48Å; L586-C589 VanDerWaalsContact O-CB 3.32Å; L586-C589 WeakPolarHBondContact O-CB 3.44Å; L586-C589 PolarHBondContact O-N 2.87Å; L586-C589 PolarHBondContact O-SG 3.4Å; L586-C589 VanDerWaalsContact O-SG 3.38Å; G587-C589 PolarHBondContact O-N 2.71Å; G587-C589 VanDerWaalsContact O-N 3.14Å
590V93.7Very high90.3Very high0 Ų042.1 Ų42.10%021%0.206CC..G310 helixtrans-80.2-20177.4-59.90000113.7M554 V577 L581 L586 G587 Y588 T593 L594M554-V590 HydrophobicContact CG-CG1 4.28Å; V577-V590 HydrophobicContact CG1-CB 3.64Å; V577-V590 HydrophobicContact CG1-CG1 3.81Å; L581-V590 HydrophobicContact CB-CG2 4.21Å; L581-V590 HydrophobicContact CD1-CG2 4.03Å; L581-V590 HydrophobicContact CD2-CG2 4.19Å; L581-V590 HydrophobicContact CG-CG2 4.37Å; L586-V590 HydrophobicContact CB-CG1 3.86Å; L586-V590 HydrophobicContact CD1-CG1 3.73Å; L586-V590 HydrophobicContact CG-CG1 4.41Å; G587-V590 WeakPolarHBondContact O-CG2 3.46Å; Y588-V590 PolarHBondContact O-N 2.89Å; Y588-V590 VanDerWaalsContact O-N 3.11Å; V590-T593 WeakPolarHBondContact O-CB 3.4Å; V590-T593 PolarHBondContact O-N 2.99Å; V590-T593 VanDerWaalsContact O-N 3.13Å; V590-L594 HydrophobicContact CB-CD1 4.29Å; V590-L594 HydrophobicContact CB-CG 4.42Å; V590-L594 HydrophobicContact CG2-CD1 3.71Å; V590-L594 HydrophobicContact CG2-CG 4.37Å; V590-L594 WeakPolarHBondContact O-CG 3.49Å; V590-L594 PolarHBondContact O-N 3.43Å
591L92.7Very high90.7Very high1 Ų142.7 Ų42.71%0.00521%0.208CC..Hα-helixtrans-59.3-44.9-169.1-175.364.7000113Y588 T593 L594 L595 L617 K628 L629 Q632Y588-L591 VanDerWaalsContact O-CB 3.28Å; Y588-L591 WeakPolarHBondContact O-CB 3.35Å; Y588-L591 PolarHBondContact O-N 2.98Å; L591-T593 VanDerWaalsContact C-N 3.28Å; L591-T593 PolarHBondContact O-N 3.19Å; L591-L594 PolarHBondContact O-N 2.96Å; L591-L595 HydrophobicContact CD1-CD1 3.97Å; L591-L595 HydrophobicContact CD1-CD2 4.26Å; L591-L595 HydrophobicContact CD1-CG 3.88Å; L591-L595 HydrophobicContact CG-CD1 3.92Å; L591-L595 HydrophobicContact CG-CG 4.21Å; L591-L595 WeakPolarHBondContact O-CB 3.13Å; L591-L595 VanDerWaalsContact O-CG 3.32Å; L591-L595 WeakPolarHBondContact O-CG 3.29Å; L591-L595 PolarHBondContact O-N 3.21Å; L591-L617 HydrophobicContact CD1-CD1 4.17Å; L591-K628 HydrophobicContact CD2-CG 4.24Å; L591-L629 HydrophobicContact CD1-CD2 4.36Å; L591-L629 HydrophobicContact CD2-CD2 4.02Å; L591-Q632 VanDerWaalsContact CD2-OE1 3.29Å
592P94.2Very high90.9Very high30 Ų3049 Ų4920%0.19524%0.237CC..Hα-helixtrans-58.4-40176.9-24.635.6000113.1H558 K596H558-P592 HydrophobicContact CB-CB 4.01Å; P592-K596 WeakPolarHBondContact O-CB 3.43Å; P592-K596 PolarHBondContact O-N 3.22Å
593T95.7Very high91.4Very high0 Ų047.1 Ų47.10%023%0.231CC..Hα-helixtrans-68.5-48.1178.7-55.40000110.7F557 H558 L561 V573 V577 V590 L591 L595 K596 I597F557-T593 HydrophobicContact CD1-CG2 3.81Å; H558-T593 PolarHBondContact N-OG1 3.08Å; L561-T593 HydrophobicContact CD1-CG2 4.1Å; L561-T593 HydrophobicContact CD2-CG2 4.34Å; V573-T593 HydrophobicContact CG1-CG2 4.38Å; V577-T593 HydrophobicContact CG2-CG2 4.05Å; V590-T593 WeakPolarHBondContact O-CB 3.4Å; V590-T593 PolarHBondContact O-N 2.99Å; V590-T593 VanDerWaalsContact O-N 3.13Å; L591-T593 VanDerWaalsContact C-N 3.28Å; L591-T593 PolarHBondContact O-N 3.19Å; T593-L595 PolarHBondContact O-N 3.48Å; T593-K596 PolarHBondContact O-N 3.48Å; T593-I597 HydrophobicContact CG2-CD1 3.93Å; T593-I597 WeakPolarHBondContact O-CG1 3.44Å; T593-I597 PolarHBondContact O-N 3.42Å
594L95.5Very high92.1Very high0 Ų043.8 Ų43.80%022%0.221CC..Hα-helixtrans-58-45.8177.2-71.3176.4000112L574 V577 L581 V590 L591 G598 I610 C613L574-L594 HydrophobicContact CD1-CD2 3.54Å; V577-L594 HydrophobicContact CB-CD2 4.5Å; V577-L594 HydrophobicContact CG1-CD2 3.77Å; V577-L594 HydrophobicContact CG1-CG 3.97Å; L581-L594 HydrophobicContact CD2-CD1 4.45Å; V590-L594 HydrophobicContact CB-CD1 4.29Å; V590-L594 HydrophobicContact CB-CG 4.42Å; V590-L594 HydrophobicContact CG2-CD1 3.71Å; V590-L594 HydrophobicContact CG2-CG 4.37Å; V590-L594 WeakPolarHBondContact O-CG 3.49Å; V590-L594 PolarHBondContact O-N 3.43Å; L591-L594 PolarHBondContact O-N 2.96Å; L594-G598 PolarHBondContact O-N 2.67Å; L594-I610 HydrophobicContact CB-CD1 4.46Å; L594-I610 HydrophobicContact CD2-CD1 4.17Å; L594-C613 HydrophobicContact CD1-CB 3.72Å
595L94.7Very high92.9Very high9 Ų945.6 Ų45.65%0.04722%0.222CC..Hα-helixtrans-69.7-36.2-179.4-65.5-179000112.4L591 T593 G598 K599 Y606 Q635 F636L591-L595 HydrophobicContact CD1-CD1 3.97Å; L591-L595 HydrophobicContact CD1-CD2 4.26Å; L591-L595 HydrophobicContact CD1-CG 3.88Å; L591-L595 HydrophobicContact CG-CD1 3.92Å; L591-L595 HydrophobicContact CG-CG 4.21Å; L591-L595 WeakPolarHBondContact O-CB 3.13Å; L591-L595 VanDerWaalsContact O-CG 3.32Å; L591-L595 WeakPolarHBondContact O-CG 3.29Å; L591-L595 PolarHBondContact O-N 3.21Å; T593-L595 PolarHBondContact O-N 3.48Å; L595-G598 PolarHBondContact O-N 2.69Å; L595-K599 PolarHBondContact O-N 3.2Å; L595-Y606 WeakPolarHBondContact CD2-OH 3.44Å; L595-Q635 HydrophobicContact CD1-CB 4.35Å; L595-F636 HydrophobicContact CD1-CD1 4.42Å; L595-F636 HydrophobicContact CD2-CB 4.08Å; L595-F636 HydrophobicContact CD2-CD1 4.07Å
596K96.1Very high93.6Very high59 Ų5941.4 Ų41.426%0.25720%0.203SC..Hα-helixtrans-67.9-43176.5-176.3164.9168.8-174.90111.4H558 L561 D562 P592 T593 G598 K599H558-K596 WeakPolarHBondContact O-CD 3.47Å; H558-K596 PolarHBondContact O-NZ 3.21Å; L561-K596 HydrophobicContact CB-CD 4.31Å; L561-K596 HydrophobicContact CD1-CB 3.76Å; L561-K596 HydrophobicContact CD1-CD 3.81Å; L561-K596 HydrophobicContact CD1-CG 3.71Å; D562-K596 VanDerWaalsContact CG-NZ 3.25Å; D562-K596 VanDerWaalsContact OD1-CE 3.25Å; D562-K596 WeakPolarHBondContact OD1-CE 3.31Å; D562-K596 IonicContact OD1-NZ 3.86Å; D562-K596 PolarHBondContact OD1-NZ 3.47Å; D562-K596 IonicContact OD2-NZ 3.69Å; D562-K596 PolarHBondContact OD2-NZ 3.06Å; P592-K596 WeakPolarHBondContact O-CB 3.43Å; P592-K596 PolarHBondContact O-N 3.22Å; T593-K596 PolarHBondContact O-N 3.48Å; K596-G598 VanDerWaalsContact C-N 3.35Å; K596-K599 PolarHBondContact O-N 2.86Å
597I97Very high94.1Very high0 Ų043.6 Ų43.60%021%0.211CC..Hα-helixtrans-67.5-37.9174.2-59.8170.2000110.7L561 Q569 I570 V573 L574 T593 K599 L600L561-I597 HydrophobicContact CD1-CD1 4.41Å; L561-I597 HydrophobicContact CD1-CG1 3.77Å; L561-I597 HydrophobicContact CD2-CD1 3.97Å; L561-I597 HydrophobicContact CD2-CG1 3.94Å; Q569-I597 HydrophobicContact CB-CG1 4.34Å; Q569-I597 HydrophobicContact CB-CG2 4.48Å; I570-I597 HydrophobicContact CG1-CG2 4.34Å; V573-I597 HydrophobicContact CB-CD1 4.19Å; V573-I597 HydrophobicContact CG1-CD1 3.77Å; L574-I597 HydrophobicContact CB-CD1 4.14Å; L574-I597 HydrophobicContact CB-CG2 4.15Å; L574-I597 HydrophobicContact CD2-CG2 4.21Å; T593-I597 HydrophobicContact CG2-CD1 3.93Å; T593-I597 WeakPolarHBondContact O-CG1 3.44Å; T593-I597 PolarHBondContact O-N 3.42Å; I597-K599 PolarHBondContact O-N 3.43Å; I597-K599 VanDerWaalsContact O-N 3.11Å; I597-L600 WeakPolarHBondContact O-CA 3.47Å; I597-L600 VanDerWaalsContact O-CB 3.26Å; I597-L600 WeakPolarHBondContact O-CB 3.33Å; I597-L600 PolarHBondContact O-N 3.06Å
598G95.5Very high94.4Very high2 Ų247 Ų472%0.02123%0.229CC..Hα-helixtrans-56.2-29.5178.300000113.7L594 L595 K596 L600 L601 Y606L594-G598 PolarHBondContact O-N 2.67Å; L595-G598 PolarHBondContact O-N 2.69Å; K596-G598 VanDerWaalsContact C-N 3.35Å; G598-L600 PolarHBondContact O-N 2.56Å; G598-L601 PolarHBondContact O-N 3.4Å; G598-L601 VanDerWaalsContact O-N 3.11Å; G598-Y606 WeakPolarHBondContact O-CD2 3.49Å
599K94.8Very high94.4Very high166 Ų16647.7 Ų47.772%0.72223%0.234SC*.THydrogen-bonded Turntrans-66.4-14173.8-67.4176.2-178.5-178.70114.2L595 K596 I597L595-K599 PolarHBondContact O-N 3.2Å; K596-K599 PolarHBondContact O-N 2.86Å; I597-K599 PolarHBondContact O-N 3.43Å; I597-K599 VanDerWaalsContact O-N 3.11Å
600L94.3Very high94.6Very high62 Ų6247.6 Ų47.633%0.32523%0.234SC..THydrogen-bonded Turntrans-91.1-12.6175.7-54.3179.2000112.6K566 Q569 I570 I597 G598K566-L600 HydrophobicContact CB-CD1 4.39Å; K566-L600 HydrophobicContact CD-CD2 4.36Å; K566-L600 HydrophobicContact CG-CD1 4.26Å; K566-L600 HydrophobicContact CG-CD2 4.39Å; Q569-L600 HydrophobicContact CB-CD1 4.19Å; I570-L600 HydrophobicContact CD1-CB 4.17Å; I570-L600 HydrophobicContact CG1-CB 4.47Å; I597-L600 WeakPolarHBondContact O-CA 3.47Å; I597-L600 VanDerWaalsContact O-CB 3.26Å; I597-L600 WeakPolarHBondContact O-CB 3.33Å; I597-L600 PolarHBondContact O-N 3.06Å; G598-L600 PolarHBondContact O-N 2.56Å
601L95.3Very high94.7Very high22 Ų2248.1 Ų48.112%0.11524%0.237CC..SBendtrans-94.5147.5-174.9-60.5179.4000111.2I570 L574 G598 D605 I610I570-L601 HydrophobicContact CB-CD2 4.44Å; I570-L601 HydrophobicContact CD1-CD2 3.93Å; I570-L601 HydrophobicContact CG1-CD2 3.83Å; I570-L601 HydrophobicContact CG2-CD2 3.78Å; L574-L601 HydrophobicContact CD2-CD1 4Å; G598-L601 PolarHBondContact O-N 3.4Å; G598-L601 VanDerWaalsContact O-N 3.11Å; L601-D605 HydrophobicContact CB-CB 4.1Å; L601-D605 HydrophobicContact CD2-CB 4.2Å; L601-I610 HydrophobicContact CD1-CD1 4.18Å; L601-I610 HydrophobicContact CD1-CG1 3.86Å
602E94Very high94.8Very high146 Ų14651 Ų5168%0.68226%0.256SS*.  trans-70.8165.2165.5-61.9-169.8174.100110.9N604 D605 Y606E602-N604 VanDerWaalsContact C-N 3.26Å; E602-N604 PolarHBondContact O-N 3.12Å; E602-D605 PolarHBondContact O-N 2.99Å; E602-D605 VanDerWaalsContact O-N 3.16Å; E602-Y606 WeakPolarHBondContact O-CB 3.45Å; E602-Y606 PolarHBondContact O-N 3.19Å
603E93Very high94.9Very high100 Ų10049.9 Ų49.947%0.46725%0.248SC..Hα-helixtrans-57.2-38.1-174.2-172.9-176.9161.700113R607 F639E603-R607 WeakPolarHBondContact O-CB 3.16Å; E603-R607 VanDerWaalsContact O-CG 3.32Å; E603-R607 WeakPolarHBondContact O-CG 3.26Å; E603-R607 PolarHBondContact O-N 2.93Å; E603-R607 VanDerWaalsContact O-N 3.09Å; E603-R607 IonicContact OE1-CZ 2.83Å; E603-R607 IonicContact OE1-NE 2.68Å; E603-R607 IonicContact OE1-NH1 2.88Å; E603-R607 PolarHBondContact OE1-NH1 3.2Å; E603-R607 IonicContact OE1-NH2 2.66Å; E603-R607 PolarHBondContact OE1-NH2 3.43Å; E603-F639 HydrophobicContact CG-CD1 4.21Å
604N93.8Very high94.9Very high102 Ų10249.9 Ų49.955%0.54525%0.248SC..Hα-helixtrans-70-42.4179.7-72.6-29.1000112.1E602 R607 T608E602-N604 VanDerWaalsContact C-N 3.26Å; E602-N604 PolarHBondContact O-N 3.12Å; N604-R607 PolarHBondContact O-N 2.88Å; N604-T608 WeakPolarHBondContact O-CB 3.35Å; N604-T608 PolarHBondContact O-N 3.38Å; N604-T608 PolarHBondContact O-OG1 3.5Å
605D92.9Very high94.9Very high71 Ų7150.9 Ų50.938%0.3826%0.255SS..Hα-helixtrans-70.9-39.2179.2-62.6-27.1000110.9L601 E602 R607 T608 H609L601-D605 HydrophobicContact CB-CB 4.1Å; L601-D605 HydrophobicContact CD2-CB 4.2Å; E602-D605 PolarHBondContact O-N 2.99Å; E602-D605 VanDerWaalsContact O-N 3.16Å; D605-R607 VanDerWaalsContact C-N 3.29Å; D605-R607 PolarHBondContact O-N 3.41Å; D605-T608 PolarHBondContact O-N 3.2Å; D605-T608 VanDerWaalsContact O-N 3.1Å; D605-H609 PolarHBondContact O-CD2 3.47Å; D605-H609 VanDerWaalsContact O-CD2 3.26Å; D605-H609 PolarHBondContact O-N 3.07Å
606Y96.7Very high94.8Very high4 Ų452.6 Ų52.62%0.01627%0.268CS..Hα-helixtrans-56.1-46.4172.1-169.4-73.4000110.9L595 G598 E602 T608 I610 V611 I614 F636 F639L595-Y606 WeakPolarHBondContact CD2-OH 3.44Å; G598-Y606 WeakPolarHBondContact O-CD2 3.49Å; E602-Y606 WeakPolarHBondContact O-CB 3.45Å; E602-Y606 PolarHBondContact O-N 3.19Å; Y606-T608 VanDerWaalsContact C-N 3.29Å; Y606-T608 PolarHBondContact O-N 3.29Å; Y606-I610 HydrophobicContact CD1-CB 3.91Å; Y606-I610 HydrophobicContact CD1-CG1 4.39Å; Y606-I610 HydrophobicContact CD1-CG2 4.4Å; Y606-I610 HydrophobicContact CD2-CB 4.35Å; Y606-I610 HydrophobicContact CD2-CG1 4.03Å; Y606-I610 HydrophobicContact CE1-CB 3.77Å; Y606-I610 HydrophobicContact CE1-CG1 4.49Å; Y606-I610 HydrophobicContact CE1-CG2 3.75Å; Y606-I610 HydrophobicContact CE2-CB 4.25Å; Y606-I610 HydrophobicContact CE2-CG1 4.16Å; Y606-I610 HydrophobicContact CE2-CG2 4.12Å; Y606-I610 HydrophobicContact CG-CB 4.18Å; Y606-I610 HydrophobicContact CG-CG1 4.15Å; Y606-I610 WeakPolarHBondContact O-CA 3.38Å; Y606-I610 VanDerWaalsContact O-CB 3.3Å; Y606-I610 WeakPolarHBondContact O-CB 3.43Å; Y606-I610 PolarHBondContact O-N 2.85Å; Y606-V611 HydrophobicContact CD1-CG2 4.05Å; Y606-V611 HydrophobicContact CE1-CG2 4.14Å; Y606-V611 PolarHBondContact O-N 3.32Å; Y606-I614 HydrophobicContact CE1-CD1 4.43Å; Y606-F636 VanDerWaalsContact OH-CB 3.31Å; Y606-F636 WeakPolarHBondContact OH-CB 3.38Å; Y606-F639 HydrophobicContact CD1-CB 3.45Å; Y606-F639 VanDerWaalsContact CD1-CB 3.45Å; Y606-F639 AromaticContact CD1-CD1 3.82Å; Y606-F639 HydrophobicContact CD1-CD1 3.82Å; Y606-F639 AromaticContact CD1-CD2 3.95Å; Y606-F639 HydrophobicContact CD1-CD2 3.95Å; Y606-F639 AromaticContact CD1-CG 3.45Å; Y606-F639 HydrophobicContact CD1-CG 3.45Å; Y606-F639 VanDerWaalsContact CD1-CG 3.45Å; Y606-F639 HydrophobicContact CD2-CD1 4.34Å; Y606-F639 HydrophobicContact CD2-CD2 4.34Å; Y606-F639 HydrophobicContact CD2-CE1 4.36Å; Y606-F639 HydrophobicContact CD2-CE2 4.37Å; Y606-F639 HydrophobicContact CD2-CG 4.35Å; Y606-F639 HydrophobicContact CD2-CZ 4.38Å; Y606-F639 HydrophobicContact CE1-CB 3.49Å; Y606-F639 VanDerWaalsContact CE1-CB 3.49Å; Y606-F639 HydrophobicContact CE1-CD1 4.32Å; Y606-F639 AromaticContact CE1-CD2 3.59Å; Y606-F639 HydrophobicContact CE1-CD2 3.59Å; Y606-F639 HydrophobicContact CE1-CE2 4.44Å; Y606-F639 AromaticContact CE1-CG 3.53Å; Y606-F639 HydrophobicContact CE1-CG 3.53Å; Y606-F639 AromaticContact CE2-CD2 3.99Å; Y606-F639 HydrophobicContact CE2-CD2 3.99Å; Y606-F639 HydrophobicContact CE2-CE2 4.04Å; Y606-F639 HydrophobicContact CE2-CG 4.39Å; Y606-F639 HydrophobicContact CE2-CZ 4.47Å; Y606-F639 HydrophobicContact CG-CB 4.34Å; Y606-F639 AromaticContact CG-CD1 3.85Å; Y606-F639 HydrophobicContact CG-CD1 3.85Å; Y606-F639 HydrophobicContact CG-CD2 4.33Å; Y606-F639 HydrophobicContact CG-CE1 4.25Å; Y606-F639 AromaticContact CG-CG 3.9Å; Y606-F639 HydrophobicContact CG-CG 3.9Å; Y606-F639 AromaticContact CZ-CD2 3.61Å
607R95.5Very high94.8Very high49 Ų4950 Ų5019%0.18526%0.256CS..Hα-helixtrans-65.8-31.9177.4-78178.9171.8157.110.2113.3E603 N604 D605 V611 P612 F639E603-R607 WeakPolarHBondContact O-CB 3.16Å; E603-R607 VanDerWaalsContact O-CG 3.32Å; E603-R607 WeakPolarHBondContact O-CG 3.26Å; E603-R607 PolarHBondContact O-N 2.93Å; E603-R607 VanDerWaalsContact O-N 3.09Å; E603-R607 IonicContact OE1-CZ 2.83Å; E603-R607 IonicContact OE1-NE 2.68Å; E603-R607 IonicContact OE1-NH1 2.88Å; E603-R607 PolarHBondContact OE1-NH1 3.2Å; E603-R607 IonicContact OE1-NH2 2.66Å; E603-R607 PolarHBondContact OE1-NH2 3.43Å; N604-R607 PolarHBondContact O-N 2.88Å; D605-R607 VanDerWaalsContact C-N 3.29Å; D605-R607 PolarHBondContact O-N 3.41Å; R607-V611 HydrophobicContact CB-CG2 4.47Å; R607-V611 HydrophobicContact CG-CG2 4.17Å; R607-P612 WeakPolarHBondContact O-CD 3.28Å; R607-F639 PolarHBondContact NE-O 2.9Å
608T93.9Very high94.7Very high88 Ų8850.3 Ų50.354%0.5426%0.258SS..Hα-helixtrans-77.9-39.7-178.8-58.10000111.4N604 D605 Y606 P612N604-T608 WeakPolarHBondContact O-CB 3.35Å; N604-T608 PolarHBondContact O-N 3.38Å; N604-T608 PolarHBondContact O-OG1 3.5Å; D605-T608 PolarHBondContact O-N 3.2Å; D605-T608 VanDerWaalsContact O-N 3.1Å; Y606-T608 VanDerWaalsContact C-N 3.29Å; Y606-T608 PolarHBondContact O-N 3.29Å; T608-P612 WeakPolarHBondContact O-CG 3.44Å
609H92.1Very high94.6Very high88 Ų8853.6 Ų53.641%0.40728%0.278SS..Hα-helixtrans-105.1-37.5-171.2-60.7-66000114.4L574 D605L574-H609 HydrophobicContact CD2-CB 3.86Å; D605-H609 PolarHBondContact O-CD2 3.47Å; D605-H609 VanDerWaalsContact O-CD2 3.26Å; D605-H609 PolarHBondContact O-N 3.07Å
610I96Very high94.4Very high0 Ų046.9 Ų46.90%025%0.253CS..THydrogen-bonded Turntrans-94.2-42.7-173.4-51.3-61.7000112.2L574 L594 L601 Y606 C613 I614L574-I610 HydrophobicContact CD1-CD1 3.51Å; L574-I610 HydrophobicContact CD2-CD1 4.18Å; L594-I610 HydrophobicContact CB-CD1 4.46Å; L594-I610 HydrophobicContact CD2-CD1 4.17Å; L601-I610 HydrophobicContact CD1-CD1 4.18Å; L601-I610 HydrophobicContact CD1-CG1 3.86Å; Y606-I610 HydrophobicContact CD1-CB 3.91Å; Y606-I610 HydrophobicContact CD1-CG1 4.39Å; Y606-I610 HydrophobicContact CD1-CG2 4.4Å; Y606-I610 HydrophobicContact CD2-CB 4.35Å; Y606-I610 HydrophobicContact CD2-CG1 4.03Å; Y606-I610 HydrophobicContact CE1-CB 3.77Å; Y606-I610 HydrophobicContact CE1-CG1 4.49Å; Y606-I610 HydrophobicContact CE1-CG2 3.75Å; Y606-I610 HydrophobicContact CE2-CB 4.25Å; Y606-I610 HydrophobicContact CE2-CG1 4.16Å; Y606-I610 HydrophobicContact CE2-CG2 4.12Å; Y606-I610 HydrophobicContact CG-CB 4.18Å; Y606-I610 HydrophobicContact CG-CG1 4.15Å; Y606-I610 WeakPolarHBondContact O-CA 3.38Å; Y606-I610 VanDerWaalsContact O-CB 3.3Å; Y606-I610 WeakPolarHBondContact O-CB 3.43Å; Y606-I610 PolarHBondContact O-N 2.85Å; I610-C613 VanDerWaalsContact O-CB 3.31Å; I610-C613 WeakPolarHBondContact O-CB 3.11Å; I610-C613 PolarHBondContact O-N 2.93Å; I610-C613 VanDerWaalsContact O-N 3.09Å; I610-I614 HydrophobicContact CG2-CD1 3.84Å; I610-I614 HydrophobicContact CG2-CG1 4.25Å; I610-I614 PolarHBondContact O-N 3.43Å
611V96.2Very high94Very high12 Ų1249.7 Ų49.77%0.07328%0.275CS..Hα-helixtrans-59.7-42.2-176.5172.40000113.1Y606 R607 C613 I614 V615 L640 V644Y606-V611 HydrophobicContact CD1-CG2 4.05Å; Y606-V611 HydrophobicContact CE1-CG2 4.14Å; Y606-V611 PolarHBondContact O-N 3.32Å; R607-V611 HydrophobicContact CB-CG2 4.47Å; R607-V611 HydrophobicContact CG-CG2 4.17Å; V611-C613 PolarHBondContact O-N 3.37Å; V611-I614 PolarHBondContact O-N 2.83Å; V611-I614 VanDerWaalsContact O-N 3.15Å; V611-V615 HydrophobicContact CG1-CG2 4.19Å; V611-V615 WeakPolarHBondContact O-CG2 3.25Å; V611-V615 PolarHBondContact O-N 2.95Å; V611-L640 HydrophobicContact CG1-CD2 3.9Å; V611-L640 HydrophobicContact CG2-CD2 4.02Å; V611-V644 HydrophobicContact CG1-CG1 4.19Å
612P94.6Very high93.7Very high62 Ų6251.7 Ų51.740%0.40329%0.286SS..Hα-helixtrans-58.6-36.6175.4-26.236.5000113R607 T608 S616R607-P612 WeakPolarHBondContact O-CD 3.28Å; T608-P612 WeakPolarHBondContact O-CG 3.44Å; P612-S616 WeakPolarHBondContact O-CB 2.99Å; P612-S616 PolarHBondContact O-N 3.49Å
613C95.4Very high93.6Very high5 Ų550.7 Ų50.73%0.03428%0.275CS..Hα-helixtrans-65.9-45.5174.6-64.30000111.5L581 L594 I610 V611 V615 S616 L617L581-C613 HydrophobicContact CD2-CB 3.49Å; L581-C613 VanDerWaalsContact CD2-CB 3.49Å; L594-C613 HydrophobicContact CD1-CB 3.72Å; I610-C613 VanDerWaalsContact O-CB 3.31Å; I610-C613 WeakPolarHBondContact O-CB 3.11Å; I610-C613 PolarHBondContact O-N 2.93Å; I610-C613 VanDerWaalsContact O-N 3.09Å; V611-C613 PolarHBondContact O-N 3.37Å; C613-V615 PolarHBondContact O-N 3.39Å; C613-S616 WeakPolarHBondContact O-CB 3.32Å; C613-S616 PolarHBondContact O-N 3Å; C613-L617 WeakPolarHBondContact O-CG 3.49Å; C613-L617 PolarHBondContact O-N 2.95Å
614I95.5Very high93.5Very high0 Ų049.2 Ų49.20%027%0.274CS..Hα-helixtrans-60.7-45.6177.2-67170.1000111Y606 I610 V611 S616 L617 F618 F636Y606-I614 HydrophobicContact CE1-CD1 4.43Å; I610-I614 HydrophobicContact CG2-CD1 3.84Å; I610-I614 HydrophobicContact CG2-CG1 4.25Å; I610-I614 PolarHBondContact O-N 3.43Å; V611-I614 PolarHBondContact O-N 2.83Å; V611-I614 VanDerWaalsContact O-N 3.15Å; I614-S616 VanDerWaalsContact C-N 3.33Å; I614-S616 PolarHBondContact O-N 3.18Å; I614-L617 WeakPolarHBondContact O-CB 3.47Å; I614-L617 PolarHBondContact O-N 3.16Å; I614-L617 VanDerWaalsContact O-N 3.12Å; I614-F618 HydrophobicContact CG2-CD2 4Å; I614-F618 HydrophobicContact CG2-CE2 3.86Å; I614-F618 WeakPolarHBondContact O-CD2 3.12Å; I614-F618 PolarHBondContact O-N 2.85Å; I614-F618 VanDerWaalsContact O-N 3.12Å; I614-F636 HydrophobicContact CD1-CB 3.75Å; I614-F636 HydrophobicContact CD1-CD1 4.32Å; I614-F636 HydrophobicContact CD1-CD2 3.89Å; I614-F636 HydrophobicContact CD1-CG 3.75Å; I614-F636 HydrophobicContact CG2-CD2 4.02Å; I614-F636 HydrophobicContact CG2-CE2 3.72Å; I614-F636 HydrophobicContact CG2-CZ 4.19Å
615V95.2Very high93.5Very high21 Ų2144.4 Ų44.413%0.12725%0.248CC..Hα-helixtrans-58.8-47.3176.7171.80000110.2V611 C613 L617 F618 T619 V644 K648 I649V611-V615 HydrophobicContact CG1-CG2 4.19Å; V611-V615 WeakPolarHBondContact O-CG2 3.25Å; V611-V615 PolarHBondContact O-N 2.95Å; C613-V615 PolarHBondContact O-N 3.39Å; V615-L617 PolarHBondContact O-N 2.76Å; V615-F618 PolarHBondContact O-N 3.38Å; V615-F618 VanDerWaalsContact O-N 3.12Å; V615-T619 PolarHBondContact O-N 2.96Å; V615-V644 HydrophobicContact CG2-CG1 3.57Å; V615-K648 HydrophobicContact CG1-CB 3.75Å; V615-K648 HydrophobicContact CG1-CD 4.02Å; V615-I649 HydrophobicContact CG2-CD1 4.26Å; V615-I649 HydrophobicContact CG2-CG1 4.22Å
616S93.7Very high93.5Very high46 Ų4642.5 Ų42.532%0.32224%0.235SC..Hα-helixtrans-61-30176.4-172.60000113.4P612 C613 I614 T619P612-S616 WeakPolarHBondContact O-CB 2.99Å; P612-S616 PolarHBondContact O-N 3.49Å; C613-S616 WeakPolarHBondContact O-CB 3.32Å; C613-S616 PolarHBondContact O-N 3Å; I614-S616 VanDerWaalsContact C-N 3.33Å; I614-S616 PolarHBondContact O-N 3.18Å; S616-T619 PolarHBondContact O-OG1 3.3Å
617L95.1Very high93.4Very high3 Ų343.9 Ų43.92%0.01624%0.242CC..Hα-helixtrans-73.6-34.1175.9-72167.5000111.8L581 G587 L591 C613 I614 V615 T619 A620 T625 L629L581-L617 HydrophobicContact CD1-CD2 3.45Å; L581-L617 VanDerWaalsContact CD1-CD2 3.45Å; L581-L617 HydrophobicContact CD1-CG 4.03Å; L581-L617 HydrophobicContact CD2-CD1 4.35Å; L581-L617 HydrophobicContact CD2-CD2 4.33Å; L581-L617 HydrophobicContact CD2-CG 4Å; G587-L617 VanDerWaalsContact O-CD2 3.26Å; G587-L617 WeakPolarHBondContact O-CD2 3.48Å; L591-L617 HydrophobicContact CD1-CD1 4.17Å; C613-L617 WeakPolarHBondContact O-CG 3.49Å; C613-L617 PolarHBondContact O-N 2.95Å; I614-L617 WeakPolarHBondContact O-CB 3.47Å; I614-L617 PolarHBondContact O-N 3.16Å; I614-L617 VanDerWaalsContact O-N 3.12Å; V615-L617 PolarHBondContact O-N 2.76Å; L617-T619 VanDerWaalsContact C-N 3.3Å; L617-T619 PolarHBondContact O-N 2.86Å; L617-A620 VanDerWaalsContact O-CB 3.3Å; L617-A620 WeakPolarHBondContact O-CB 3.38Å; L617-A620 PolarHBondContact O-N 2.98Å; L617-T625 HydrophobicContact CB-CG2 4.06Å; L617-T625 HydrophobicContact CD2-CG2 3.78Å; L617-L629 HydrophobicContact CB-CD1 3.79Å; L617-L629 HydrophobicContact CB-CD2 3.96Å; L617-L629 HydrophobicContact CB-CG 4.3Å; L617-L629 HydrophobicContact CD1-CD2 4.19Å
618F95.1Very high93.4Very high8 Ų844.7 Ų44.74%0.03525%0.247CC..Hα-helixtrans-68.1-29.2175.4-87.1-74.5000112.9I614 V615 A620 L629 I633 F636 I649 H652 F653I614-F618 HydrophobicContact CG2-CD2 4Å; I614-F618 HydrophobicContact CG2-CE2 3.86Å; I614-F618 WeakPolarHBondContact O-CD2 3.12Å; I614-F618 PolarHBondContact O-N 2.85Å; I614-F618 VanDerWaalsContact O-N 3.12Å; V615-F618 PolarHBondContact O-N 3.38Å; V615-F618 VanDerWaalsContact O-N 3.12Å; F618-A620 PolarHBondContact O-N 3.34Å; F618-L629 HydrophobicContact CB-CD1 4.45Å; F618-L629 HydrophobicContact CD1-CD1 3.9Å; F618-L629 HydrophobicContact CD2-CD1 3.98Å; F618-L629 HydrophobicContact CE1-CB 4.08Å; F618-L629 HydrophobicContact CE1-CD1 4.07Å; F618-L629 HydrophobicContact CE2-CB 4.33Å; F618-L629 HydrophobicContact CE2-CD1 4.14Å; F618-L629 HydrophobicContact CE2-CD2 4.25Å; F618-L629 HydrophobicContact CG-CD1 3.85Å; F618-L629 HydrophobicContact CZ-CB 3.86Å; F618-L629 HydrophobicContact CZ-CD1 4.18Å; F618-L629 HydrophobicContact CZ-CG 4.47Å; F618-I633 HydrophobicContact CZ-CD1 4.3Å; F618-F636 HydrophobicContact CE2-CE2 4.08Å; F618-F636 HydrophobicContact CE2-CZ 4.14Å; F618-F636 HydrophobicContact CZ-CZ 4.36Å; F618-I649 HydrophobicContact CD1-CG2 4.1Å; F618-I649 HydrophobicContact CD2-CD1 4.34Å; F618-I649 HydrophobicContact CD2-CG1 4.14Å; F618-I649 HydrophobicContact CD2-CG2 3.87Å; F618-I649 HydrophobicContact CE1-CG2 4.15Å; F618-I649 HydrophobicContact CE2-CD1 4.47Å; F618-I649 HydrophobicContact CE2-CG2 3.92Å; F618-I649 HydrophobicContact CG-CG2 3.97Å; F618-I649 HydrophobicContact CZ-CG2 4.06Å; F618-H652 HydrophobicContact CB-CB 4.48Å; F618-H652 VanDerWaalsContact O-CB 3.3Å; F618-H652 WeakPolarHBondContact O-CB 3.35Å; F618-F653 HydrophobicContact CE1-CD2 4.45Å
619T92.9Very high93.5Very high71 Ų7140.6 Ų40.644%0.43622%0.222SC..THydrogen-bonded Turntrans-75.2-13.1175.463.90000112.9V615 S616 L617V615-T619 PolarHBondContact O-N 2.96Å; S616-T619 PolarHBondContact O-OG1 3.3Å; L617-T619 VanDerWaalsContact C-N 3.3Å; L617-T619 PolarHBondContact O-N 2.86Å
620A90.4Very high93.7Very high24 Ų2436.7 Ų36.720%0.19820%0.204CC..  trans-67.8136.7-178.500000111.2L617 F618 D622 T625L617-A620 VanDerWaalsContact O-CB 3.3Å; L617-A620 WeakPolarHBondContact O-CB 3.38Å; L617-A620 PolarHBondContact O-N 2.98Å; F618-A620 PolarHBondContact O-N 3.34Å; A620-D622 PolarHBondContact O-N 2.73Å; A620-T625 HydrophobicContact CB-CG2 4.32Å
621P86.8Confident93.6Very high121 Ų12141.9 Ų41.979%0.78623%0.228SC*.  trans-72.9-14.5178.329.9-35.3000112.9R623P621-R623 PolarHBondContact O-N 2.68Å
622D88.3Confident93.5Very high65 Ų6542.8 Ų42.835%0.34823%0.232SC..  trans-64.9121.1-176.9172.545.1000112.6A620 T624 T625 R626A620-D622 PolarHBondContact O-N 2.73Å; D622-T624 VanDerWaalsContact C-N 3.31Å; D622-T624 PolarHBondContact O-N 3Å; D622-T624 PolarHBondContact OD1-N 3.47Å; D622-T624 WeakPolarHBondContact OD2-CB 3.47Å; D622-T625 PolarHBondContact O-N 2.85Å; D622-T625 VanDerWaalsContact OD2-CB 3.26Å; D622-T625 WeakPolarHBondContact OD2-CB 3.48Å; D622-T625 PolarHBondContact OD2-N 3.49Å; D622-T625 PolarHBondContact OD2-OG1 2.74Å; D622-R626 PolarHBondContact O-N 3.16Å; D622-R626 VanDerWaalsContact O-N 3.08Å
623R91.9Very high93.5Very high124 Ų12440 Ų4047%0.46821%0.213SC..Hα-helixtrans-63.3-35.1179.4-76.1-175.5179.7170.3-0.4112.7P621 T625 R626 M627 D659 T660 I664P621-R623 PolarHBondContact O-N 2.68Å; R623-T625 VanDerWaalsContact C-N 3.34Å; R623-R626 PolarHBondContact O-N 2.89Å; R623-M627 WeakPolarHBondContact O-CB 3.2Å; R623-M627 PolarHBondContact O-N 2.78Å; R623-D659 IonicContact CZ-OD1 3.76Å; R623-D659 IonicContact NE-OD1 3.51Å; R623-D659 IonicContact NE-OD2 3.21Å; R623-T660 PolarHBondContact NH2-OG1 3.44Å; R623-I664 HydrophobicContact CB-CD1 3.74Å; R623-I664 HydrophobicContact CG-CD1 3.93Å
624T91.9Very high93.5Very high70 Ų7046.3 Ų46.343%0.42924%0.242SC..Hα-helixtrans-67-41.1179.3-47.20000110.4Y588 D622 M627 K628Y588-T624 HydrophobicContact CD1-CG2 3.78Å; Y588-T624 HydrophobicContact CE1-CG2 3.36Å; Y588-T624 HydrophobicContact CE2-CG2 4.41Å; Y588-T624 HydrophobicContact CG-CG2 4.46Å; D622-T624 VanDerWaalsContact C-N 3.31Å; D622-T624 PolarHBondContact O-N 3Å; D622-T624 PolarHBondContact OD1-N 3.47Å; D622-T624 WeakPolarHBondContact OD2-CB 3.47Å; T624-M627 WeakPolarHBondContact O-CB 3.37Å; T624-M627 PolarHBondContact O-N 3.24Å; T624-K628 PolarHBondContact O-N 3.01Å
625T92.6Very high93.4Very high1 Ų150.8 Ų50.81%0.00626%0.263CS..Hα-helixtrans-62-48.1174.7-61.20000112.2Y588 L617 A620 D622 R623 M627 K628 L629Y588-T625 PolarHBondContact N-OG1 3.34Å; Y588-T625 VanDerWaalsContact N-OG1 3.12Å; L617-T625 HydrophobicContact CB-CG2 4.06Å; L617-T625 HydrophobicContact CD2-CG2 3.78Å; A620-T625 HydrophobicContact CB-CG2 4.32Å; D622-T625 PolarHBondContact O-N 2.85Å; D622-T625 VanDerWaalsContact OD2-CB 3.26Å; D622-T625 WeakPolarHBondContact OD2-CB 3.48Å; D622-T625 PolarHBondContact OD2-N 3.49Å; D622-T625 PolarHBondContact OD2-OG1 2.74Å; R623-T625 VanDerWaalsContact C-N 3.34Å; T625-M627 VanDerWaalsContact C-N 3.34Å; T625-M627 PolarHBondContact O-N 3.04Å; T625-K628 PolarHBondContact O-N 3.39Å; T625-L629 HydrophobicContact CG2-CD1 4.08Å; T625-L629 HydrophobicContact CG2-CG 4.46Å; T625-L629 VanDerWaalsContact O-CG 3.31Å; T625-L629 WeakPolarHBondContact O-CG 3.28Å; T625-L629 PolarHBondContact O-N 3.48Å
626R94.4Very high93.4Very high31 Ų3149.8 Ų49.812%0.11726%0.257CS..Hα-helixtrans-54.8-50.6172.5-175.1177.5-61.1121.612.8111.5D622 R623 K628 L629 L630 D659 I664D622-R626 PolarHBondContact O-N 3.16Å; D622-R626 VanDerWaalsContact O-N 3.08Å; R623-R626 PolarHBondContact O-N 2.89Å; R626-K628 VanDerWaalsContact C-N 3.32Å; R626-K628 PolarHBondContact O-N 3.23Å; R626-L629 PolarHBondContact O-N 3.19Å; R626-L630 HydrophobicContact CG-CD1 3.84Å; R626-L630 HydrophobicContact CG-CG 4.31Å; R626-L630 WeakPolarHBondContact O-CG 3.39Å; R626-L630 PolarHBondContact O-N 3.28Å; R626-D659 IonicContact NH1-OD2 3.56Å; R626-D659 PolarHBondContact NH1-OD2 2.85Å; R626-I664 HydrophobicContact CG-CG2 4.49Å
627M94.4Very high93.5Very high32 Ų3248.5 Ų48.516%0.15825%0.246CC..Hα-helixtrans-54.4-48.8179-175.868.680.900111.8R623 T624 T625 L630 Q631 A663 I664 C667R623-M627 WeakPolarHBondContact O-CB 3.2Å; R623-M627 PolarHBondContact O-N 2.78Å; T624-M627 WeakPolarHBondContact O-CB 3.37Å; T624-M627 PolarHBondContact O-N 3.24Å; T625-M627 VanDerWaalsContact C-N 3.34Å; T625-M627 PolarHBondContact O-N 3.04Å; M627-L630 PolarHBondContact O-N 2.93Å; M627-Q631 VanDerWaalsContact O-CG 3.32Å; M627-Q631 WeakPolarHBondContact O-CG 3.37Å; M627-Q631 PolarHBondContact O-N 3.45Å; M627-A663 HydrophobicContact CE-CB 3.59Å; M627-I664 HydrophobicContact CE-CB 4.28Å; M627-I664 HydrophobicContact CE-CD1 4.45Å; M627-I664 HydrophobicContact CE-CG1 3.36Å; M627-I664 HydrophobicContact SD-CG1 4.32Å; M627-C667 HydrophobicContact SD-CB 3.96Å
628K94.1Very high93.4Very high67 Ų6754.4 Ų54.429%0.29127%0.274SS..Hα-helixtrans-68.5-38.6-175.1-160.862.9173177.60112.6Y588 L591 T624 T625 R626 Q631 Q632Y588-K628 HydrophobicContact CD2-CB 4.43Å; Y588-K628 HydrophobicContact CD2-CG 4.26Å; Y588-K628 HydrophobicContact CG-CB 4.39Å; L591-K628 HydrophobicContact CD2-CG 4.24Å; T624-K628 PolarHBondContact O-N 3.01Å; T625-K628 PolarHBondContact O-N 3.39Å; R626-K628 VanDerWaalsContact C-N 3.32Å; R626-K628 PolarHBondContact O-N 3.23Å; K628-Q631 PolarHBondContact O-N 3.2Å; K628-Q632 PolarHBondContact O-N 3.14Å
629L96.3Very high93.5Very high1 Ų155.9 Ų55.91%0.00528%0.28CS..Hα-helixtrans-60.8-47.3172.9-71.3168.9000111.7L591 L617 F618 T625 R626 Q631 Q632 I633 F636L591-L629 HydrophobicContact CD1-CD2 4.36Å; L591-L629 HydrophobicContact CD2-CD2 4.02Å; L617-L629 HydrophobicContact CB-CD1 3.79Å; L617-L629 HydrophobicContact CB-CD2 3.96Å; L617-L629 HydrophobicContact CB-CG 4.3Å; L617-L629 HydrophobicContact CD1-CD2 4.19Å; F618-L629 HydrophobicContact CB-CD1 4.45Å; F618-L629 HydrophobicContact CD1-CD1 3.9Å; F618-L629 HydrophobicContact CD2-CD1 3.98Å; F618-L629 HydrophobicContact CE1-CB 4.08Å; F618-L629 HydrophobicContact CE1-CD1 4.07Å; F618-L629 HydrophobicContact CE2-CB 4.33Å; F618-L629 HydrophobicContact CE2-CD1 4.14Å; F618-L629 HydrophobicContact CE2-CD2 4.25Å; F618-L629 HydrophobicContact CG-CD1 3.85Å; F618-L629 HydrophobicContact CZ-CB 3.86Å; F618-L629 HydrophobicContact CZ-CD1 4.18Å; F618-L629 HydrophobicContact CZ-CG 4.47Å; T625-L629 HydrophobicContact CG2-CD1 4.08Å; T625-L629 HydrophobicContact CG2-CG 4.46Å; T625-L629 VanDerWaalsContact O-CG 3.31Å; T625-L629 WeakPolarHBondContact O-CG 3.28Å; T625-L629 PolarHBondContact O-N 3.48Å; R626-L629 PolarHBondContact O-N 3.19Å; L629-Q631 VanDerWaalsContact C-N 3.32Å; L629-Q631 PolarHBondContact O-N 3.34Å; L629-Q632 PolarHBondContact O-N 2.77Å; L629-I633 PolarHBondContact O-N 2.97Å; L629-F636 HydrophobicContact CD2-CZ 4.25Å
630L96.4Very high93.6Very high6 Ų652.5 Ų52.53%0.03126%0.26CS..Hα-helixtrans-61.7-41.3-180-66.9171.4000111.6R626 M627 Q632 I633 F653 I664 C667 T668 A671R626-L630 HydrophobicContact CG-CD1 3.84Å; R626-L630 HydrophobicContact CG-CG 4.31Å; R626-L630 WeakPolarHBondContact O-CG 3.39Å; R626-L630 PolarHBondContact O-N 3.28Å; M627-L630 PolarHBondContact O-N 2.93Å; L630-Q632 VanDerWaalsContact C-N 3.31Å; L630-Q632 PolarHBondContact O-N 2.84Å; L630-I633 WeakPolarHBondContact O-CG2 3.41Å; L630-F653 HydrophobicContact CD2-CD2 3.63Å; L630-F653 HydrophobicContact CD2-CE2 3.34Å; L630-F653 HydrophobicContact CD2-CZ 4.38Å; L630-I664 HydrophobicContact CD1-CG2 4.41Å; L630-C667 HydrophobicContact CB-CB 4.16Å; L630-C667 HydrophobicContact CD1-CB 4.32Å; L630-T668 VanDerWaalsContact CD1-OG1 3.24Å; L630-T668 WeakPolarHBondContact CD1-OG1 3.16Å; L630-A671 HydrophobicContact CB-CB 4.21Å; L630-A671 HydrophobicContact CD2-CB 3.72Å
631Q94.4Very high93.9Very high110 Ų11056.8 Ų56.851%0.51427%0.271SS..Hα-helixtrans-66.7-30178.2-74.1176.6-10.300113.6M627 K628 L629M627-Q631 VanDerWaalsContact O-CG 3.32Å; M627-Q631 WeakPolarHBondContact O-CG 3.37Å; M627-Q631 PolarHBondContact O-N 3.45Å; K628-Q631 PolarHBondContact O-N 3.2Å; L629-Q631 VanDerWaalsContact C-N 3.32Å; L629-Q631 PolarHBondContact O-N 3.34Å
632Q94.3Very high94.4Very high31 Ų3154.2 Ų54.215%0.14525%0.254CS..Hα-helixtrans-106.76.9-174.5-64.8-172.1-15.500113.5L591 K628 L629 L630 E634 Q635 F636L591-Q632 VanDerWaalsContact CD2-OE1 3.29Å; K628-Q632 PolarHBondContact O-N 3.14Å; L629-Q632 PolarHBondContact O-N 2.77Å; L630-Q632 VanDerWaalsContact C-N 3.31Å; L630-Q632 PolarHBondContact O-N 2.84Å; Q632-E634 PolarHBondContact O-N 3.44Å; Q632-E634 VanDerWaalsContact O-N 3.1Å; Q632-Q635 WeakPolarHBondContact O-CB 3.38Å; Q632-Q635 PolarHBondContact O-N 2.94Å; Q632-F636 HydrophobicContact CB-CE1 4.43Å; Q632-F636 WeakPolarHBondContact O-CD1 3.45Å; Q632-F636 WeakPolarHBondContact O-CE1 3.37Å
633I95.6Very high94.8Very high3 Ų354.9 Ų54.92%0.01526%0.258CS..G310 helixtrans-56-34.1-172.5-165.1152.5000113.8F618 L629 L630 Q635 F636 I637 A671 H674 L675F618-I633 HydrophobicContact CZ-CD1 4.3Å; L629-I633 PolarHBondContact O-N 2.97Å; L630-I633 WeakPolarHBondContact O-CG2 3.41Å; I633-Q635 PolarHBondContact O-N 3.11Å; I633-F636 HydrophobicContact CB-CE2 4.47Å; I633-F636 HydrophobicContact CB-CZ 4.14Å; I633-F636 HydrophobicContact CG1-CE2 3.89Å; I633-F636 HydrophobicContact CG1-CZ 4.04Å; I633-F636 PolarHBondContact O-N 3.02Å; I633-I637 HydrophobicContact CG1-CB 4.37Å; I633-I637 HydrophobicContact CG1-CD1 4.5Å; I633-I637 VanDerWaalsContact O-CB 3.29Å; I633-I637 WeakPolarHBondContact O-CB 3.21Å; I633-I637 PolarHBondContact O-N 3.23Å; I633-A671 HydrophobicContact CG2-CB 3.96Å; I633-H674 HydrophobicContact CG2-CB 4.02Å; I633-L675 HydrophobicContact CD1-CD1 3.21Å; I633-L675 HydrophobicContact CD1-CG 4.11Å; I633-L675 HydrophobicContact CG1-CD1 4.38Å
634E93.8Very high95Very high137 Ų13750.1 Ų50.164%0.6424%0.242SC*.G310 helixtrans-56.6-31.4176.2-174.2175.7-165.400112.7Q632 F636Q632-E634 PolarHBondContact O-N 3.44Å; Q632-E634 VanDerWaalsContact O-N 3.1Å; E634-F636 VanDerWaalsContact C-N 3.3Å; E634-F636 PolarHBondContact O-N 3.14Å
635Q93.6Very high95.3Very high94 Ų9446.8 Ų46.844%0.43922%0.222SC..G310 helixtrans-74.8-16.8-177.1-59.6-173.941.800114L595 Q632 I633L595-Q635 HydrophobicContact CD1-CB 4.35Å; Q632-Q635 WeakPolarHBondContact O-CB 3.38Å; Q632-Q635 PolarHBondContact O-N 2.94Å; I633-Q635 PolarHBondContact O-N 3.11Å
636F95.4Very high95.6Very high0 Ų047.5 Ų47.50%023%0.226CC..THydrogen-bonded Turntrans-133.1-9-174.360.1-104.6000115L595 Y606 I614 F618 L629 Q632 I633 E634 E638 F639 L640L595-F636 HydrophobicContact CD1-CD1 4.42Å; L595-F636 HydrophobicContact CD2-CB 4.08Å; L595-F636 HydrophobicContact CD2-CD1 4.07Å; Y606-F636 VanDerWaalsContact OH-CB 3.31Å; Y606-F636 WeakPolarHBondContact OH-CB 3.38Å; I614-F636 HydrophobicContact CD1-CB 3.75Å; I614-F636 HydrophobicContact CD1-CD1 4.32Å; I614-F636 HydrophobicContact CD1-CD2 3.89Å; I614-F636 HydrophobicContact CD1-CG 3.75Å; I614-F636 HydrophobicContact CG2-CD2 4.02Å; I614-F636 HydrophobicContact CG2-CE2 3.72Å; I614-F636 HydrophobicContact CG2-CZ 4.19Å; F618-F636 HydrophobicContact CE2-CE2 4.08Å; F618-F636 HydrophobicContact CE2-CZ 4.14Å; F618-F636 HydrophobicContact CZ-CZ 4.36Å; L629-F636 HydrophobicContact CD2-CZ 4.25Å; Q632-F636 HydrophobicContact CB-CE1 4.43Å; Q632-F636 WeakPolarHBondContact O-CD1 3.45Å; Q632-F636 WeakPolarHBondContact O-CE1 3.37Å; I633-F636 HydrophobicContact CB-CE2 4.47Å; I633-F636 HydrophobicContact CB-CZ 4.14Å; I633-F636 HydrophobicContact CG1-CE2 3.89Å; I633-F636 HydrophobicContact CG1-CZ 4.04Å; I633-F636 PolarHBondContact O-N 3.02Å; E634-F636 VanDerWaalsContact C-N 3.3Å; E634-F636 PolarHBondContact O-N 3.14Å; F636-E638 PolarHBondContact O-N 3.2Å; F636-F639 PolarHBondContact O-N 3.27Å; F636-F639 VanDerWaalsContact O-N 3.17Å; F636-L640 HydrophobicContact CD2-CD1 3.79Å; F636-L640 HydrophobicContact CD2-CG 4.25Å; F636-L640 HydrophobicContact CE2-CD1 3.94Å
637I95.6Very high95.7Very high19 Ų1952.6 Ų52.610%0.09725%0.251CS..THydrogen-bonded Turntrans-59.8-30.6-175.9-171.558.1000113.9I633 F639 L640 H674 L675 K678I633-I637 HydrophobicContact CG1-CB 4.37Å; I633-I637 HydrophobicContact CG1-CD1 4.5Å; I633-I637 VanDerWaalsContact O-CB 3.29Å; I633-I637 WeakPolarHBondContact O-CB 3.21Å; I633-I637 PolarHBondContact O-N 3.23Å; I637-F639 VanDerWaalsContact C-N 3.3Å; I637-F639 PolarHBondContact O-N 3.12Å; I637-L640 HydrophobicContact CD1-CD1 3.97Å; I637-L640 PolarHBondContact O-N 3.02Å; I637-H674 HydrophobicContact CG1-CB 4.46Å; I637-H674 WeakPolarHBondContact CG1-O 3.48Å; I637-L675 HydrophobicContact CD1-CG 4.4Å; I637-K678 HydrophobicContact CD1-CG 4.37Å
638E94.3Very high95.8Very high127 Ų12756.5 Ų56.559%0.59327%0.267SS*.THydrogen-bonded Turntrans-63.8-36.9179.466.7-175.3149.100112.2F636 L640 K678F636-E638 PolarHBondContact O-N 3.2Å; E638-L640 VanDerWaalsContact C-N 3.31Å; E638-L640 PolarHBondContact O-N 2.83Å; E638-K678 PolarHBondContact O-NZ 3.21Å
639F95.9Very high96Very high39 Ų3953.3 Ų53.317%0.17125%0.253CS..THydrogen-bonded Turntrans-76.1-18.1179.6-55.8-76000112.9E603 Y606 R607 F636 I637 R641E603-F639 HydrophobicContact CG-CD1 4.21Å; Y606-F639 HydrophobicContact CD1-CB 3.45Å; Y606-F639 VanDerWaalsContact CD1-CB 3.45Å; Y606-F639 AromaticContact CD1-CD1 3.82Å; Y606-F639 HydrophobicContact CD1-CD1 3.82Å; Y606-F639 AromaticContact CD1-CD2 3.95Å; Y606-F639 HydrophobicContact CD1-CD2 3.95Å; Y606-F639 AromaticContact CD1-CG 3.45Å; Y606-F639 HydrophobicContact CD1-CG 3.45Å; Y606-F639 VanDerWaalsContact CD1-CG 3.45Å; Y606-F639 HydrophobicContact CD2-CD1 4.34Å; Y606-F639 HydrophobicContact CD2-CD2 4.34Å; Y606-F639 HydrophobicContact CD2-CE1 4.36Å; Y606-F639 HydrophobicContact CD2-CE2 4.37Å; Y606-F639 HydrophobicContact CD2-CG 4.35Å; Y606-F639 HydrophobicContact CD2-CZ 4.38Å; Y606-F639 HydrophobicContact CE1-CB 3.49Å; Y606-F639 VanDerWaalsContact CE1-CB 3.49Å; Y606-F639 HydrophobicContact CE1-CD1 4.32Å; Y606-F639 AromaticContact CE1-CD2 3.59Å; Y606-F639 HydrophobicContact CE1-CD2 3.59Å; Y606-F639 HydrophobicContact CE1-CE2 4.44Å; Y606-F639 AromaticContact CE1-CG 3.53Å; Y606-F639 HydrophobicContact CE1-CG 3.53Å; Y606-F639 AromaticContact CE2-CD2 3.99Å; Y606-F639 HydrophobicContact CE2-CD2 3.99Å; Y606-F639 HydrophobicContact CE2-CE2 4.04Å; Y606-F639 HydrophobicContact CE2-CG 4.39Å; Y606-F639 HydrophobicContact CE2-CZ 4.47Å; Y606-F639 HydrophobicContact CG-CB 4.34Å; Y606-F639 AromaticContact CG-CD1 3.85Å; Y606-F639 HydrophobicContact CG-CD1 3.85Å; Y606-F639 HydrophobicContact CG-CD2 4.33Å; Y606-F639 HydrophobicContact CG-CE1 4.25Å; Y606-F639 AromaticContact CG-CG 3.9Å; Y606-F639 HydrophobicContact CG-CG 3.9Å; Y606-F639 AromaticContact CZ-CD2 3.61Å; R607-F639 PolarHBondContact NE-O 2.9Å; F636-F639 PolarHBondContact O-N 3.27Å; F636-F639 VanDerWaalsContact O-N 3.17Å; I637-F639 VanDerWaalsContact C-N 3.3Å; I637-F639 PolarHBondContact O-N 3.12Å; F639-R641 PolarHBondContact O-N 2.88Å
640L96Very high96Very high1 Ų153.6 Ų53.61%0.00525%0.254CS..SBendtrans-77.2121.6178.3-57.1-179.8000110.7V611 F636 I637 E638 V645 I649 K678V611-L640 HydrophobicContact CG1-CD2 3.9Å; V611-L640 HydrophobicContact CG2-CD2 4.02Å; F636-L640 HydrophobicContact CD2-CD1 3.79Å; F636-L640 HydrophobicContact CD2-CG 4.25Å; F636-L640 HydrophobicContact CE2-CD1 3.94Å; I637-L640 HydrophobicContact CD1-CD1 3.97Å; I637-L640 PolarHBondContact O-N 3.02Å; E638-L640 VanDerWaalsContact C-N 3.31Å; E638-L640 PolarHBondContact O-N 2.83Å; L640-V645 HydrophobicContact CB-CG2 3.61Å; L640-V645 HydrophobicContact CD1-CG2 4.27Å; L640-I649 HydrophobicContact CD1-CD1 3.6Å; L640-I649 HydrophobicContact CD2-CD1 4.05Å; L640-I649 HydrophobicContact CG-CD1 4.37Å; L640-K678 WeakPolarHBondContact O-CE 3.48Å; L640-K678 PolarHBondContact O-NZ 3.25Å
641R96.1Very high96.1Very high114 Ų11456.3 Ų56.343%0.4327%0.272SS..  trans-76.7147.7174.6-61.7-175.6177.2142.5-0.9110.6F639 D643 V644 V645F639-R641 PolarHBondContact O-N 2.88Å; R641-D643 VanDerWaalsContact C-N 3.29Å; R641-D643 WeakPolarHBondContact CB-OD1 3.45Å; R641-D643 PolarHBondContact O-N 3Å; R641-V644 HydrophobicContact CB-CG2 4.44Å; R641-V644 PolarHBondContact O-N 2.85Å; R641-V645 WeakPolarHBondContact O-CG2 3.29Å; R641-V645 PolarHBondContact O-N 2.72Å
642P96.9Very high96.2Very high66 Ų6654 Ų5443%0.42926%0.261SS..Hα-helixtrans-54.9-39.1-178.2-27.936.2000114.6V645 N646 K678P642-V645 PolarHBondContact O-N 3.15Å; P642-N646 PolarHBondContact O-N 2.99Å; P642-N646 PolarHBondContact O-ND2 3.35Å; P642-K678 HydrophobicContact CG-CD 4.14Å
643D96.4Very high96.3Very high79 Ų7952.7 Ų52.742%0.42226%0.255SS..Hα-helixtrans-58.4-52.217655.7-57.7000111.3R641 V645 N646 E647R641-D643 VanDerWaalsContact C-N 3.29Å; R641-D643 WeakPolarHBondContact CB-OD1 3.45Å; R641-D643 PolarHBondContact O-N 3Å; D643-V645 VanDerWaalsContact C-N 3.31Å; D643-V645 PolarHBondContact O-N 3.29Å; D643-N646 PolarHBondContact O-N 3.06Å; D643-E647 WeakPolarHBondContact O-CB 3.37Å; D643-E647 WeakPolarHBondContact O-CG 3.17Å; D643-E647 PolarHBondContact O-N 2.88Å
644V97.1Very high96.4Very high24 Ų2453.3 Ų53.315%0.14526%0.259CS..Hα-helixtrans-59.6-42.2177.2-179.70000111.3V611 V615 R641 K648 I649V611-V644 HydrophobicContact CG1-CG1 4.19Å; V615-V644 HydrophobicContact CG2-CG1 3.57Å; R641-V644 HydrophobicContact CB-CG2 4.44Å; R641-V644 PolarHBondContact O-N 2.85Å; V644-K648 WeakPolarHBondContact O-CA 3.23Å; V644-K648 WeakPolarHBondContact O-CB 3.12Å; V644-K648 PolarHBondContact O-N 3.5Å; V644-I649 HydrophobicContact CG1-CD1 4.36Å; V644-I649 PolarHBondContact O-N 3.31Å
645V98Very high96.4Very high0 Ų050.7 Ų50.70%025%0.249CC..Iπ-helixtrans-61.8-50.7179174.60000110.7L640 R641 P642 D643 I649 F650 L675 K678 L679L640-V645 HydrophobicContact CB-CG2 3.61Å; L640-V645 HydrophobicContact CD1-CG2 4.27Å; R641-V645 WeakPolarHBondContact O-CG2 3.29Å; R641-V645 PolarHBondContact O-N 2.72Å; P642-V645 PolarHBondContact O-N 3.15Å; D643-V645 VanDerWaalsContact C-N 3.31Å; D643-V645 PolarHBondContact O-N 3.29Å; V645-I649 PolarHBondContact O-N 3Å; V645-F650 VanDerWaalsContact O-CB 3.31Å; V645-F650 WeakPolarHBondContact O-CB 3.37Å; V645-F650 PolarHBondContact O-N 3.21Å; V645-L675 HydrophobicContact CG1-CD2 3.91Å; V645-L675 HydrophobicContact CG1-CG 4.48Å; V645-K678 HydrophobicContact CB-CB 4.32Å; V645-K678 HydrophobicContact CG1-CB 4.23Å; V645-K678 HydrophobicContact CG2-CB 4.12Å; V645-L679 HydrophobicContact CG1-CD2 3.93Å
646N98.1Very high96.6Very high16 Ų1646.2 Ų46.29%0.08623%0.228CC..Iπ-helixtrans-73.5-35.8-173.7-74-77.2000113.3P642 D643 K678 L679 N680 N683P642-N646 PolarHBondContact O-N 2.99Å; P642-N646 PolarHBondContact O-ND2 3.35Å; D643-N646 PolarHBondContact O-N 3.06Å; N646-K678 PolarHBondContact ND2-O 3.09Å; N646-L679 WeakPolarHBondContact OD1-CA 3.49Å; N646-N680 PolarHBondContact ND2-N 2.86Å; N646-N680 VanDerWaalsContact OD1-CG 3.31Å; N646-N680 PolarHBondContact OD1-N 3.16Å; N646-N680 PolarHBondContact OD1-ND2 2.95Å; N646-N683 PolarHBondContact OD1-ND2 3.36Å
647E96.8Very high96.7Very high139 Ų13946.4 Ų46.465%0.6523%0.229SC*.Iπ-helixtrans-87.9-39.3-175.1-65.8177.6-172.200112.7D643D643-E647 WeakPolarHBondContact O-CB 3.37Å; D643-E647 WeakPolarHBondContact O-CG 3.17Å; D643-E647 PolarHBondContact O-N 2.88Å
648K96.4Very high96.6Very high113 Ų11349.1 Ų49.149%0.49125%0.246SC..Iπ-helixtrans-114.3-21-167.7-55.2-170179.4-177.70115V615 V644 H652V615-K648 HydrophobicContact CG1-CB 3.75Å; V615-K648 HydrophobicContact CG1-CD 4.02Å; V644-K648 WeakPolarHBondContact O-CA 3.23Å; V644-K648 WeakPolarHBondContact O-CB 3.12Å; V644-K648 PolarHBondContact O-N 3.5Å; K648-H652 PolarHBondContact O-CD2 2.94Å
649I97.7Very high96.7Very high1 Ų143.6 Ų43.61%0.00522%0.221CC..Iπ-helixtrans-107.2-48.5-177.2-64.2174.7000110.7V615 F618 L640 V644 V645 H652 F653 L675V615-I649 HydrophobicContact CG2-CD1 4.26Å; V615-I649 HydrophobicContact CG2-CG1 4.22Å; F618-I649 HydrophobicContact CD1-CG2 4.1Å; F618-I649 HydrophobicContact CD2-CD1 4.34Å; F618-I649 HydrophobicContact CD2-CG1 4.14Å; F618-I649 HydrophobicContact CD2-CG2 3.87Å; F618-I649 HydrophobicContact CE1-CG2 4.15Å; F618-I649 HydrophobicContact CE2-CD1 4.47Å; F618-I649 HydrophobicContact CE2-CG2 3.92Å; F618-I649 HydrophobicContact CG-CG2 3.97Å; F618-I649 HydrophobicContact CZ-CG2 4.06Å; L640-I649 HydrophobicContact CD1-CD1 3.6Å; L640-I649 HydrophobicContact CD2-CD1 4.05Å; L640-I649 HydrophobicContact CG-CD1 4.37Å; V644-I649 HydrophobicContact CG1-CD1 4.36Å; V644-I649 PolarHBondContact O-N 3.31Å; V645-I649 PolarHBondContact O-N 3Å; I649-H652 PolarHBondContact O-N 3.36Å; I649-H652 VanDerWaalsContact O-N 3.1Å; I649-F653 WeakPolarHBondContact O-CB 3.12Å; I649-F653 PolarHBondContact O-N 3.25Å; I649-L675 HydrophobicContact CG2-CD2 4.45Å
650F98.1Very high96.6Very high7 Ų746.7 Ų46.73%0.03124%0.243CC..Hα-helixtrans-56.9-42.9-173.5-170.8-102.6000113.9V645 H652 F653 V654 L679 N683 E687 L688V645-F650 VanDerWaalsContact O-CB 3.31Å; V645-F650 WeakPolarHBondContact O-CB 3.37Å; V645-F650 PolarHBondContact O-N 3.21Å; F650-H652 PolarHBondContact O-N 3.43Å; F650-F653 HydrophobicContact CD2-CD1 4.27Å; F650-F653 HydrophobicContact CE2-CD1 4.43Å; F650-F653 WeakPolarHBondContact O-CB 3.29Å; F650-F653 PolarHBondContact O-N 3.45Å; F650-F653 VanDerWaalsContact O-N 3.15Å; F650-V654 HydrophobicContact CD1-CG1 4.05Å; F650-V654 HydrophobicContact CD2-CG1 4.17Å; F650-V654 HydrophobicContact CE1-CG1 3.57Å; F650-V654 HydrophobicContact CE2-CG1 3.73Å; F650-V654 HydrophobicContact CG-CG1 4.34Å; F650-V654 HydrophobicContact CZ-CG1 3.41Å; F650-V654 VanDerWaalsContact CZ-CG1 3.41Å; F650-V654 PolarHBondContact O-N 2.9Å; F650-V654 VanDerWaalsContact O-N 3.08Å; F650-L679 HydrophobicContact CB-CD2 4.34Å; F650-L679 HydrophobicContact CD2-CD1 4.12Å; F650-L679 HydrophobicContact CD2-CD2 3.41Å; F650-L679 VanDerWaalsContact CD2-CD2 3.41Å; F650-L679 HydrophobicContact CD2-CG 4.43Å; F650-L679 HydrophobicContact CE2-CD1 3.7Å; F650-L679 HydrophobicContact CE2-CD2 3.86Å; F650-L679 HydrophobicContact CE2-CG 4.46Å; F650-L679 HydrophobicContact CG-CD2 4Å; F650-L679 HydrophobicContact CZ-CD1 4.49Å; F650-N683 HydrophobicContact CD1-CB 3.76Å; F650-N683 WeakPolarHBondContact CD1-ND2 3.41Å; F650-N683 HydrophobicContact CE1-CB 3.53Å; F650-N683 VanDerWaalsContact CE1-CG 3.45Å; F650-N683 HydrophobicContact CE2-CB 4.34Å; F650-N683 HydrophobicContact CG-CB 4.26Å; F650-N683 HydrophobicContact CZ-CB 3.83Å; F650-N683 WeakPolarHBondContact CZ-O 3.29Å; F650-E687 HydrophobicContact CE1-CB 3.78Å; F650-E687 HydrophobicContact CE1-CG 4.32Å; F650-E687 HydrophobicContact CZ-CB 3.91Å; F650-L688 HydrophobicContact CE2-CB 4.35Å; F650-L688 HydrophobicContact CZ-CB 4.21Å
651P96.8Very high96.5Very high62 Ų6249.8 Ų49.840%0.40326%0.26SS..Hα-helixtrans-58.6-34.2177.5-25.736.2000113.7V654P651-V654 WeakPolarHBondContact O-CG2 3.47Å
652H96.8Very high96.5Very high63 Ų6346.5 Ų46.529%0.29225%0.252SS..Hα-helixtrans-86.7-28.9177.2-58.3-69.2000112.7F618 K648 I649 F650F618-H652 HydrophobicContact CB-CB 4.48Å; F618-H652 VanDerWaalsContact O-CB 3.3Å; F618-H652 WeakPolarHBondContact O-CB 3.35Å; K648-H652 PolarHBondContact O-CD2 2.94Å; I649-H652 PolarHBondContact O-N 3.36Å; I649-H652 VanDerWaalsContact O-N 3.1Å; F650-H652 PolarHBondContact O-N 3.43Å
653F97.3Very high96.4Very high3 Ų344.3 Ų44.31%0.01324%0.239CC..Hα-helixtrans-63.4-45.2177.3175.8-92.1000111.9F618 L630 I649 F650 L655 G656 F657 T668 A671 A672 L675F618-F653 HydrophobicContact CE1-CD2 4.45Å; L630-F653 HydrophobicContact CD2-CD2 3.63Å; L630-F653 HydrophobicContact CD2-CE2 3.34Å; L630-F653 HydrophobicContact CD2-CZ 4.38Å; I649-F653 WeakPolarHBondContact O-CB 3.12Å; I649-F653 PolarHBondContact O-N 3.25Å; F650-F653 HydrophobicContact CD2-CD1 4.27Å; F650-F653 HydrophobicContact CE2-CD1 4.43Å; F650-F653 WeakPolarHBondContact O-CB 3.29Å; F650-F653 PolarHBondContact O-N 3.45Å; F650-F653 VanDerWaalsContact O-N 3.15Å; F653-L655 PolarHBondContact O-N 3.08Å; F653-G656 PolarHBondContact O-N 3.31Å; F653-F657 HydrophobicContact CD1-CE2 4.2Å; F653-F657 AromaticContact CE1-CE2 3.75Å; F653-F657 HydrophobicContact CE1-CE2 3.75Å; F653-F657 AromaticContact CE1-CZ 3.75Å; F653-F657 HydrophobicContact CE1-CZ 3.75Å; F653-F657 HydrophobicContact CZ-CZ 4.4Å; F653-T668 HydrophobicContact CD1-CG2 4.47Å; F653-T668 HydrophobicContact CE1-CG2 3.95Å; F653-T668 HydrophobicContact CE2-CG2 4.21Å; F653-T668 HydrophobicContact CZ-CG2 3.79Å; F653-T668 WeakPolarHBondContact CZ-O 2.91Å; F653-A671 HydrophobicContact CE2-CB 3.79Å; F653-A671 HydrophobicContact CZ-CB 4.14Å; F653-A672 HydrophobicContact CE1-CB 4.11Å; F653-A672 HydrophobicContact CZ-CB 3.92Å; F653-L675 HydrophobicContact CD1-CD2 4.25Å; F653-L675 HydrophobicContact CD2-CD1 3.91Å; F653-L675 HydrophobicContact CD2-CD2 4.07Å; F653-L675 HydrophobicContact CE1-CD1 4.4Å; F653-L675 HydrophobicContact CE2-CD1 3.43Å; F653-L675 VanDerWaalsContact CE2-CD1 3.43Å; F653-L675 HydrophobicContact CE2-CD2 4.33Å; F653-L675 HydrophobicContact CG-CD2 4.04Å; F653-L675 HydrophobicContact CZ-CD1 3.73Å
654V96.7Very high96.4Very high15 Ų1540.6 Ų40.69%0.09122%0.22CC..G310 helixtrans-64.4-24.6-175.3-65.40000113.7F650 P651 G656 F657 Y691F650-V654 HydrophobicContact CD1-CG1 4.05Å; F650-V654 HydrophobicContact CD2-CG1 4.17Å; F650-V654 HydrophobicContact CE1-CG1 3.57Å; F650-V654 HydrophobicContact CE2-CG1 3.73Å; F650-V654 HydrophobicContact CG-CG1 4.34Å; F650-V654 HydrophobicContact CZ-CG1 3.41Å; F650-V654 VanDerWaalsContact CZ-CG1 3.41Å; F650-V654 PolarHBondContact O-N 2.9Å; F650-V654 VanDerWaalsContact O-N 3.08Å; P651-V654 WeakPolarHBondContact O-CG2 3.47Å; V654-G656 PolarHBondContact O-N 3.39Å; V654-G656 VanDerWaalsContact O-N 3.11Å; V654-F657 HydrophobicContact CB-CD2 4.18Å; V654-F657 HydrophobicContact CG1-CD2 4.4Å; V654-F657 HydrophobicContact CG1-CE2 4.28Å; V654-F657 WeakPolarHBondContact O-CB 3.42Å; V654-F657 WeakPolarHBondContact O-CD2 3.3Å; V654-F657 PolarHBondContact O-N 3.23Å; V654-Y691 HydrophobicContact CB-CD2 4.28Å; V654-Y691 HydrophobicContact CB-CE2 3.78Å; V654-Y691 HydrophobicContact CG1-CD2 4.26Å; V654-Y691 HydrophobicContact CG1-CE2 4.04Å; V654-Y691 HydrophobicContact CG2-CE2 4.37Å
655L95.1Very high96.3Very high83 Ų8341.2 Ų41.244%0.43522%0.219SC..G310 helixtrans-58-25.7174.4-58.7177.3000112.3F653 F657 T658 D659F653-L655 PolarHBondContact O-N 3.08Å; L655-F657 VanDerWaalsContact C-N 3.28Å; L655-F657 PolarHBondContact O-N 3.31Å; L655-T658 PolarHBondContact O-N 2.88Å; L655-T658 PolarHBondContact O-OG1 3.13Å; L655-D659 PolarHBondContact O-N 3.39Å
656G96.1Very high96.2Very high0 Ų041.5 Ų41.50%022%0.221CC..G310 helixtrans-66.3-25.417600000114F653 V654 T658 D659 R665 T668F653-G656 PolarHBondContact O-N 3.31Å; V654-G656 PolarHBondContact O-N 3.39Å; V654-G656 VanDerWaalsContact O-N 3.11Å; G656-T658 VanDerWaalsContact C-N 3.29Å; G656-T658 PolarHBondContact O-N 3.33Å; G656-D659 PolarHBondContact O-N 3.01Å; G656-R665 VanDerWaalsContact O-CA 3.32Å; G656-R665 WeakPolarHBondContact O-CA 3.42Å; G656-T668 WeakPolarHBondContact CA-OG1 3.46Å; G656-T668 PolarHBondContact O-OG1 3.27Å
657F97.4Very high96.1Very high3 Ų341.8 Ų41.81%0.01322%0.224CC..G310 helixtrans-71.1-24.8179.2-67.6-62.3000113.1F653 V654 L655 R665 T668 V669 A672 L688 Y691 L692 L695F653-F657 HydrophobicContact CD1-CE2 4.2Å; F653-F657 AromaticContact CE1-CE2 3.75Å; F653-F657 HydrophobicContact CE1-CE2 3.75Å; F653-F657 AromaticContact CE1-CZ 3.75Å; F653-F657 HydrophobicContact CE1-CZ 3.75Å; F653-F657 HydrophobicContact CZ-CZ 4.4Å; V654-F657 HydrophobicContact CB-CD2 4.18Å; V654-F657 HydrophobicContact CG1-CD2 4.4Å; V654-F657 HydrophobicContact CG1-CE2 4.28Å; V654-F657 WeakPolarHBondContact O-CB 3.42Å; V654-F657 WeakPolarHBondContact O-CD2 3.3Å; V654-F657 PolarHBondContact O-N 3.23Å; L655-F657 VanDerWaalsContact C-N 3.28Å; L655-F657 PolarHBondContact O-N 3.31Å; F657-R665 WeakPolarHBondContact O-CD 3.35Å; F657-T668 HydrophobicContact CD1-CG2 3.76Å; F657-T668 HydrophobicContact CD2-CG2 4.11Å; F657-T668 HydrophobicContact CE1-CG2 3.72Å; F657-T668 HydrophobicContact CE2-CG2 4.04Å; F657-T668 HydrophobicContact CG-CG2 3.96Å; F657-T668 HydrophobicContact CZ-CG2 3.86Å; F657-V669 HydrophobicContact CD1-CG2 4.05Å; F657-V669 HydrophobicContact CE1-CG2 3.95Å; F657-A672 HydrophobicContact CE1-CB 4.47Å; F657-A672 HydrophobicContact CZ-CB 3.96Å; F657-L688 HydrophobicContact CE1-CD1 4.43Å; F657-L688 HydrophobicContact CE2-CD1 3.78Å; F657-L688 HydrophobicContact CZ-CD1 3.4Å; F657-L688 VanDerWaalsContact CZ-CD1 3.4Å; F657-Y691 HydrophobicContact CB-CD1 3.7Å; F657-Y691 HydrophobicContact CB-CE1 4.4Å; F657-Y691 HydrophobicContact CB-CG 4.05Å; F657-Y691 HydrophobicContact CD2-CD1 4.13Å; F657-Y691 HydrophobicContact CD2-CD2 4Å; F657-Y691 AromaticContact CD2-CG 3.66Å; F657-Y691 HydrophobicContact CD2-CG 3.66Å; F657-Y691 HydrophobicContact CE2-CD2 4.49Å; F657-Y691 HydrophobicContact CE2-CG 4.39Å; F657-Y691 HydrophobicContact CG-CD1 4.22Å; F657-Y691 HydrophobicContact CG-CG 4.05Å; F657-L692 HydrophobicContact CE1-CD2 3.94Å; F657-L692 HydrophobicContact CZ-CD2 4.42Å; F657-L695 HydrophobicContact CB-CD1 4.21Å; F657-L695 HydrophobicContact CD1-CD1 3.59Å; F657-L695 HydrophobicContact CE1-CD1 4.42Å; F657-L695 HydrophobicContact CG-CD1 4.32Å
658T94.7Very high96.2Very high76 Ų7635.1 Ų35.147%0.46619%0.193SC..G310 helixtrans-111.413.4-179.555.20000112.2L655 G656 Y691L655-T658 PolarHBondContact O-N 2.88Å; L655-T658 PolarHBondContact O-OG1 3.13Å; G656-T658 VanDerWaalsContact C-N 3.29Å; G656-T658 PolarHBondContact O-N 3.33Å; T658-Y691 HydrophobicContact CG2-CD1 4.37Å; T658-Y691 HydrophobicContact CG2-CE1 3.95Å
659D95.8Very high96.2Very high12 Ų1229.8 Ų29.86%0.06417%0.169CC..  trans-64.7145.1178.4-159.8-69.2000110.5R623 R626 L655 G656 N661 I664 R665R623-D659 IonicContact CZ-OD1 3.76Å; R623-D659 IonicContact NE-OD1 3.51Å; R623-D659 IonicContact NE-OD2 3.21Å; R626-D659 IonicContact NH1-OD2 3.56Å; R626-D659 PolarHBondContact NH1-OD2 2.85Å; L655-D659 PolarHBondContact O-N 3.39Å; G656-D659 PolarHBondContact O-N 3.01Å; D659-N661 PolarHBondContact O-N 3.3Å; D659-N661 WeakPolarHBondContact OD1-CB 3.32Å; D659-N661 PolarHBondContact OD1-N 3.42Å; D659-I664 HydrophobicContact CB-CB 4.04Å; D659-I664 HydrophobicContact CB-CG2 3.72Å; D659-R665 HydrophobicContact CB-CG 4.35Å; D659-R665 WeakPolarHBondContact O-CD 3.38Å; D659-R665 WeakPolarHBondContact O-CG 3.27Å; D659-R665 PolarHBondContact O-NH1 2.84Å
660T94Very high96.1Very high104 Ų10431.4 Ų31.464%0.63818%0.176SC*.SBendtrans-71.4-23.3178.159.80000112R623 V662R623-T660 PolarHBondContact NH2-OG1 3.44Å; T660-V662 PolarHBondContact O-N 2.94Å
661N94.3Very high96.1Very high66 Ų6631.1 Ų31.135%0.35318%0.176SC..SBendtrans-79.4115.8175.2-171.5-48.3000111.2D659 A663 I664 R665D659-N661 PolarHBondContact O-N 3.3Å; D659-N661 WeakPolarHBondContact OD1-CB 3.32Å; D659-N661 PolarHBondContact OD1-N 3.42Å; N661-A663 VanDerWaalsContact C-N 3.28Å; N661-A663 PolarHBondContact O-N 3.36Å; N661-A663 WeakPolarHBondContact OD1-CB 3.32Å; N661-A663 PolarHBondContact OD1-N 2.82Å; N661-I664 HydrophobicContact CB-CB 4.28Å; N661-I664 HydrophobicContact CB-CD1 3.95Å; N661-I664 HydrophobicContact CB-CG1 4.01Å; N661-I664 PolarHBondContact O-N 3.24Å; N661-I664 PolarHBondContact OD1-N 2.96Å; N661-R665 PolarHBondContact O-N 2.92Å
662V95.5Very high96.1Very high45 Ų4528.2 Ų28.227%0.27316%0.156SC..Hα-helixtrans-53.5-41.8179.7-178.50000112.3T660 I664 R665 E666 H701 I704 I846T660-V662 PolarHBondContact O-N 2.94Å; V662-I664 VanDerWaalsContact C-N 3.3Å; V662-I664 PolarHBondContact O-N 3.06Å; V662-R665 PolarHBondContact O-N 3.08Å; V662-E666 WeakPolarHBondContact O-CB 3.36Å; V662-E666 PolarHBondContact O-N 3.34Å; V662-H701 HydrophobicContact CG1-CB 4.14Å; V662-I704 HydrophobicContact CG1-CD1 3.73Å; V662-I704 HydrophobicContact CG1-CG1 4.48Å; V662-I846 HydrophobicContact CG1-CD1 3.72Å
663A94.8Very high96Very high19 Ų1926.6 Ų26.616%0.15715%0.151CC..Hα-helixtrans-67.3-31.4-179.100000112.2M627 N661 C667M627-A663 HydrophobicContact CE-CB 3.59Å; N661-A663 VanDerWaalsContact C-N 3.28Å; N661-A663 PolarHBondContact O-N 3.36Å; N661-A663 WeakPolarHBondContact OD1-CB 3.32Å; N661-A663 PolarHBondContact OD1-N 2.82Å; A663-C667 WeakPolarHBondContact O-CB 3.13Å; A663-C667 PolarHBondContact O-N 3.13Å; A663-C667 PolarHBondContact O-SG 3.2Å
664I95.8Very high95.9Very high2 Ų229.3 Ų29.31%0.0116%0.164CC..Hα-helixtrans-71.3-47.2177.1-66.3179.7000109.5R623 R626 M627 L630 D659 N661 V662 E666 C667 T668R623-I664 HydrophobicContact CB-CD1 3.74Å; R623-I664 HydrophobicContact CG-CD1 3.93Å; R626-I664 HydrophobicContact CG-CG2 4.49Å; M627-I664 HydrophobicContact CE-CB 4.28Å; M627-I664 HydrophobicContact CE-CD1 4.45Å; M627-I664 HydrophobicContact CE-CG1 3.36Å; M627-I664 HydrophobicContact SD-CG1 4.32Å; L630-I664 HydrophobicContact CD1-CG2 4.41Å; D659-I664 HydrophobicContact CB-CB 4.04Å; D659-I664 HydrophobicContact CB-CG2 3.72Å; N661-I664 HydrophobicContact CB-CB 4.28Å; N661-I664 HydrophobicContact CB-CD1 3.95Å; N661-I664 HydrophobicContact CB-CG1 4.01Å; N661-I664 PolarHBondContact O-N 3.24Å; N661-I664 PolarHBondContact OD1-N 2.96Å; V662-I664 VanDerWaalsContact C-N 3.3Å; V662-I664 PolarHBondContact O-N 3.06Å; I664-E666 VanDerWaalsContact C-N 3.27Å; I664-E666 PolarHBondContact O-N 3.5Å; I664-C667 PolarHBondContact O-N 2.93Å; I664-T668 WeakPolarHBondContact O-CB 3.09Å; I664-T668 PolarHBondContact O-N 3.09Å; I664-T668 PolarHBondContact O-OG1 3.21Å
665R97Very high95.9Very high36 Ų3628.7 Ų28.714%0.13616%0.16CC..Hα-helixtrans-55.1-47.5174.3-63.4-154.8-61.5-99.19.1111G656 F657 D659 N661 V662 T668 V669 D699 I704G656-R665 VanDerWaalsContact O-CA 3.32Å; G656-R665 WeakPolarHBondContact O-CA 3.42Å; F657-R665 WeakPolarHBondContact O-CD 3.35Å; D659-R665 HydrophobicContact CB-CG 4.35Å; D659-R665 WeakPolarHBondContact O-CD 3.38Å; D659-R665 WeakPolarHBondContact O-CG 3.27Å; D659-R665 PolarHBondContact O-NH1 2.84Å; N661-R665 PolarHBondContact O-N 2.92Å; V662-R665 PolarHBondContact O-N 3.08Å; R665-T668 PolarHBondContact O-N 3.45Å; R665-V669 WeakPolarHBondContact O-CG2 3.36Å; R665-V669 PolarHBondContact O-N 3.23Å; R665-V669 VanDerWaalsContact O-N 3.07Å; R665-D699 IonicContact CZ-OD2 2.86Å; R665-D699 IonicContact NE-OD2 3.61Å; R665-D699 PolarHBondContact NE-OD2 3.39Å; R665-D699 IonicContact NH2-OD1 2.68Å; R665-D699 PolarHBondContact NH2-OD1 3.48Å; R665-D699 IonicContact NH2-OD2 3.57Å; R665-D699 PolarHBondContact NH2-OD2 2.97Å; R665-I704 HydrophobicContact CB-CD1 3.8Å
666E95.8Very high95.9Very high6 Ų624.8 Ų24.83%0.02814%0.139CC..Hα-helixtrans-59.6-50.2178.2-166.1-169.8172.200112.4V662 I664 T668 V669 K670 I704 N707V662-E666 WeakPolarHBondContact O-CB 3.36Å; V662-E666 PolarHBondContact O-N 3.34Å; I664-E666 VanDerWaalsContact C-N 3.27Å; I664-E666 PolarHBondContact O-N 3.5Å; E666-T668 VanDerWaalsContact C-N 3.3Å; E666-T668 PolarHBondContact O-N 2.94Å; E666-V669 PolarHBondContact O-N 2.92Å; E666-K670 WeakPolarHBondContact O-CG 3.5Å; E666-K670 PolarHBondContact O-N 3.01Å; E666-K670 VanDerWaalsContact OE1-CE 3.28Å; E666-K670 WeakPolarHBondContact OE1-CE 3.45Å; E666-K670 IonicContact OE1-NZ 2.72Å; E666-K670 PolarHBondContact OE1-NZ 3.16Å; E666-I704 HydrophobicContact CB-CD1 4.48Å; E666-I704 HydrophobicContact CB-CG1 4.13Å; E666-I704 HydrophobicContact CG-CG1 4.46Å; E666-N707 VanDerWaalsContact CG-ND2 3.3Å; E666-N707 WeakPolarHBondContact CG-ND2 3.38Å; E666-N707 PolarHBondContact OE1-ND2 3.2Å
667C95.6Very high95.8Very high22 Ų2228.4 Ų28.415%0.14916%0.163CC..Hα-helixtrans-64.9-34.5178.6-72.20000112.2M627 L630 A663 I664 K670 A671M627-C667 HydrophobicContact SD-CB 3.96Å; L630-C667 HydrophobicContact CB-CB 4.16Å; L630-C667 HydrophobicContact CD1-CB 4.32Å; A663-C667 WeakPolarHBondContact O-CB 3.13Å; A663-C667 PolarHBondContact O-N 3.13Å; A663-C667 PolarHBondContact O-SG 3.2Å; I664-C667 PolarHBondContact O-N 2.93Å; C667-K670 PolarHBondContact O-N 3.32Å; C667-A671 VanDerWaalsContact O-CB 3.29Å; C667-A671 WeakPolarHBondContact O-CB 3.39Å; C667-A671 PolarHBondContact O-N 3.29Å
668T97.9Very high95.8Very high0 Ų030.6 Ų30.60%017%0.173CC..Hα-helixtrans-63.9-43.6177.7-52.60000110.8L630 F653 G656 F657 I664 R665 E666 K670 A671 A672L630-T668 VanDerWaalsContact CD1-OG1 3.24Å; L630-T668 WeakPolarHBondContact CD1-OG1 3.16Å; F653-T668 HydrophobicContact CD1-CG2 4.47Å; F653-T668 HydrophobicContact CE1-CG2 3.95Å; F653-T668 HydrophobicContact CE2-CG2 4.21Å; F653-T668 HydrophobicContact CZ-CG2 3.79Å; F653-T668 WeakPolarHBondContact CZ-O 2.91Å; G656-T668 WeakPolarHBondContact CA-OG1 3.46Å; G656-T668 PolarHBondContact O-OG1 3.27Å; F657-T668 HydrophobicContact CD1-CG2 3.76Å; F657-T668 HydrophobicContact CD2-CG2 4.11Å; F657-T668 HydrophobicContact CE1-CG2 3.72Å; F657-T668 HydrophobicContact CE2-CG2 4.04Å; F657-T668 HydrophobicContact CG-CG2 3.96Å; F657-T668 HydrophobicContact CZ-CG2 3.86Å; I664-T668 WeakPolarHBondContact O-CB 3.09Å; I664-T668 PolarHBondContact O-N 3.09Å; I664-T668 PolarHBondContact O-OG1 3.21Å; R665-T668 PolarHBondContact O-N 3.45Å; E666-T668 VanDerWaalsContact C-N 3.3Å; E666-T668 PolarHBondContact O-N 2.94Å; T668-K670 VanDerWaalsContact C-N 3.34Å; T668-K670 PolarHBondContact O-N 2.91Å; T668-A671 PolarHBondContact O-N 3.43Å; T668-A672 WeakPolarHBondContact O-CB 3.49Å; T668-A672 PolarHBondContact O-N 3.32Å
669V97.6Very high95.9Very high0 Ų027.9 Ų27.90%016%0.155CC..Hα-helixtrans-59.2-43.7174.3172.80000111.8F657 R665 E666 A672 L692 L695 I704 N707 A708 A711F657-V669 HydrophobicContact CD1-CG2 4.05Å; F657-V669 HydrophobicContact CE1-CG2 3.95Å; R665-V669 WeakPolarHBondContact O-CG2 3.36Å; R665-V669 PolarHBondContact O-N 3.23Å; R665-V669 VanDerWaalsContact O-N 3.07Å; E666-V669 PolarHBondContact O-N 2.92Å; V669-A672 WeakPolarHBondContact O-CB 3.42Å; V669-A672 PolarHBondContact O-N 2.9Å; V669-L692 HydrophobicContact CG1-CD2 4.07Å; V669-L692 HydrophobicContact CG2-CD2 4.2Å; V669-L695 HydrophobicContact CG2-CD1 3.48Å; V669-L695 VanDerWaalsContact CG2-CD1 3.48Å; V669-I704 HydrophobicContact CG2-CG2 4.48Å; V669-N707 HydrophobicContact CG1-CB 4Å; V669-N707 WeakPolarHBondContact CG1-O 3.44Å; V669-A708 HydrophobicContact CG1-CB 4.35Å; V669-A711 HydrophobicContact CG1-CB 3.82Å
670K95.5Very high95.9Very high35 Ų3530.7 Ų30.715%0.15217%0.17CC..Hα-helixtrans-65.8-46.4178.4-63.6-178.4-168.41750111.5E666 C667 T668 A672 V673 N707 F842 Q843E666-K670 WeakPolarHBondContact O-CG 3.5Å; E666-K670 PolarHBondContact O-N 3.01Å; E666-K670 VanDerWaalsContact OE1-CE 3.28Å; E666-K670 WeakPolarHBondContact OE1-CE 3.45Å; E666-K670 IonicContact OE1-NZ 2.72Å; E666-K670 PolarHBondContact OE1-NZ 3.16Å; C667-K670 PolarHBondContact O-N 3.32Å; T668-K670 VanDerWaalsContact C-N 3.34Å; T668-K670 PolarHBondContact O-N 2.91Å; K670-A672 VanDerWaalsContact C-N 3.26Å; K670-A672 PolarHBondContact O-N 2.94Å; K670-V673 PolarHBondContact O-N 3.41Å; K670-N707 VanDerWaalsContact CE-ND2 3.31Å; K670-N707 WeakPolarHBondContact CE-ND2 3.29Å; K670-F842 HydrophobicContact CB-CD2 4.22Å; K670-F842 HydrophobicContact CB-CE1 4.42Å; K670-F842 HydrophobicContact CB-CE2 4.02Å; K670-F842 HydrophobicContact CB-CG 4.49Å; K670-F842 HydrophobicContact CB-CZ 4.12Å; K670-F842 HydrophobicContact CD-CB 3.86Å; K670-F842 HydrophobicContact CD-CD1 4.29Å; K670-F842 HydrophobicContact CD-CD2 4.18Å; K670-F842 HydrophobicContact CD-CG 3.88Å; K670-F842 HydrophobicContact CG-CB 4.23Å; K670-F842 HydrophobicContact CG-CD1 3.7Å; K670-F842 HydrophobicContact CG-CD2 3.91Å; K670-F842 HydrophobicContact CG-CE1 3.89Å; K670-F842 HydrophobicContact CG-CE2 4.09Å; K670-F842 HydrophobicContact CG-CG 3.7Å; K670-F842 HydrophobicContact CG-CZ 4.07Å; K670-Q843 PolarHBondContact NZ-O 3.18Å
671A97Very high96Very high2 Ų231.7 Ų31.72%0.01716%0.163CC..Hα-helixtrans-62.7-31.6179.800000112.8L630 I633 F653 C667 T668 V673 H674 L675L630-A671 HydrophobicContact CB-CB 4.21Å; L630-A671 HydrophobicContact CD2-CB 3.72Å; I633-A671 HydrophobicContact CG2-CB 3.96Å; F653-A671 HydrophobicContact CE2-CB 3.79Å; F653-A671 HydrophobicContact CZ-CB 4.14Å; C667-A671 VanDerWaalsContact O-CB 3.29Å; C667-A671 WeakPolarHBondContact O-CB 3.39Å; C667-A671 PolarHBondContact O-N 3.29Å; T668-A671 PolarHBondContact O-N 3.43Å; A671-V673 PolarHBondContact O-N 3.01Å; A671-V673 VanDerWaalsContact O-N 3.14Å; A671-H674 WeakPolarHBondContact O-CB 3.42Å; A671-H674 PolarHBondContact O-N 2.89Å; A671-L675 VanDerWaalsContact O-CD1 3.26Å; A671-L675 WeakPolarHBondContact O-CD1 3.38Å; A671-L675 PolarHBondContact O-N 3.49Å
672A97.4Very high96.1Very high0 Ų036.5 Ų36.50%018%0.176CC..Hα-helixtrans-57.8-31.5-178.500000113.3F653 F657 T668 V669 K670 H674 L675 A676 L688F653-A672 HydrophobicContact CE1-CB 4.11Å; F653-A672 HydrophobicContact CZ-CB 3.92Å; F657-A672 HydrophobicContact CE1-CB 4.47Å; F657-A672 HydrophobicContact CZ-CB 3.96Å; T668-A672 WeakPolarHBondContact O-CB 3.49Å; T668-A672 PolarHBondContact O-N 3.32Å; V669-A672 WeakPolarHBondContact O-CB 3.42Å; V669-A672 PolarHBondContact O-N 2.9Å; K670-A672 VanDerWaalsContact C-N 3.26Å; K670-A672 PolarHBondContact O-N 2.94Å; A672-H674 VanDerWaalsContact C-N 3.28Å; A672-H674 PolarHBondContact O-N 2.9Å; A672-L675 PolarHBondContact O-N 2.88Å; A672-A676 PolarHBondContact O-N 3.46Å; A672-L688 HydrophobicContact CB-CD1 3.8Å; A672-L688 HydrophobicContact CB-CD2 4.39Å
673V95.1Very high96.2Very high29 Ų2935.2 Ų35.218%0.17617%0.168CC..Hα-helixtrans-63-36.1176.7177.40000111.6K670 A671 A711 K714 I715 F842K670-V673 PolarHBondContact O-N 3.41Å; A671-V673 PolarHBondContact O-N 3.01Å; A671-V673 VanDerWaalsContact O-N 3.14Å; V673-A711 HydrophobicContact CG2-CB 3.93Å; V673-K714 HydrophobicContact CG1-CB 3.84Å; V673-K714 HydrophobicContact CG1-CD 3.77Å; V673-K714 HydrophobicContact CG1-CG 4.45Å; V673-K714 HydrophobicContact CG2-CB 4.12Å; V673-K714 HydrophobicContact CG2-CD 4.07Å; V673-I715 HydrophobicContact CG2-CG2 4.26Å; V673-F842 HydrophobicContact CG2-CZ 3.84Å
674H95.2Very high96.3Very high61 Ų6134.6 Ų34.628%0.28216%0.162SC..Hα-helixtrans-74.2-32.9177.5-61.2-86.4000112I633 I637 A671 A672 P677I633-H674 HydrophobicContact CG2-CB 4.02Å; I637-H674 HydrophobicContact CG1-CB 4.46Å; I637-H674 WeakPolarHBondContact CG1-O 3.48Å; A671-H674 WeakPolarHBondContact O-CB 3.42Å; A671-H674 PolarHBondContact O-N 2.89Å; A672-H674 VanDerWaalsContact C-N 3.28Å; A672-H674 PolarHBondContact O-N 2.9Å; H674-P677 WeakPolarHBondContact O-CD 3.46Å
675L96.1Very high96.2Very high1 Ų135 Ų351%0.00516%0.164CC..Hα-helixtrans-74.4-32.5175.8-78.190.5000113.2I633 I637 V645 I649 F653 A671 A672 P677 K678 L679I633-L675 HydrophobicContact CD1-CD1 3.21Å; I633-L675 HydrophobicContact CD1-CG 4.11Å; I633-L675 HydrophobicContact CG1-CD1 4.38Å; I637-L675 HydrophobicContact CD1-CG 4.4Å; V645-L675 HydrophobicContact CG1-CD2 3.91Å; V645-L675 HydrophobicContact CG1-CG 4.48Å; I649-L675 HydrophobicContact CG2-CD2 4.45Å; F653-L675 HydrophobicContact CD1-CD2 4.25Å; F653-L675 HydrophobicContact CD2-CD1 3.91Å; F653-L675 HydrophobicContact CD2-CD2 4.07Å; F653-L675 HydrophobicContact CE1-CD1 4.4Å; F653-L675 HydrophobicContact CE2-CD1 3.43Å; F653-L675 VanDerWaalsContact CE2-CD1 3.43Å; F653-L675 HydrophobicContact CE2-CD2 4.33Å; F653-L675 HydrophobicContact CG-CD2 4.04Å; F653-L675 HydrophobicContact CZ-CD1 3.73Å; A671-L675 VanDerWaalsContact O-CD1 3.26Å; A671-L675 WeakPolarHBondContact O-CD1 3.38Å; A671-L675 PolarHBondContact O-N 3.49Å; A672-L675 PolarHBondContact O-N 2.88Å; L675-P677 VanDerWaalsContact C-N 3.31Å; L675-P677 VanDerWaalsContact O-N 3.09Å; L675-K678 WeakPolarHBondContact O-CA 3.44Å; L675-K678 WeakPolarHBondContact O-CB 3.45Å; L675-K678 PolarHBondContact O-N 3.29Å; L675-L679 HydrophobicContact CB-CD2 4.46Å; L675-L679 HydrophobicContact CB-CG 4.35Å; L675-L679 PolarHBondContact O-N 3.05Å
676A95.8Very high96.2Very high1 Ų136.1 Ų36.11%0.00818%0.175CC..G310 helixtrans-47.9-41.7-169.100000115.2A672 K678 L679 L684 I715A672-A676 PolarHBondContact O-N 3.46Å; A676-K678 PolarHBondContact O-N 3.28Å; A676-L679 PolarHBondContact O-N 3.32Å; A676-L684 HydrophobicContact CB-CD1 4.13Å; A676-I715 HydrophobicContact CB-CB 3.95Å; A676-I715 HydrophobicContact CB-CG2 3.44Å; A676-I715 VanDerWaalsContact CB-CG2 3.44Å
677P94.1Very high96.2Very high77 Ų7737.6 Ų37.650%0.518%0.182SC..G310 helixtrans-65.8-18.1177.4-19.231.8000114.8H674 L675H674-P677 WeakPolarHBondContact O-CD 3.46Å; L675-P677 VanDerWaalsContact C-N 3.31Å; L675-P677 VanDerWaalsContact O-N 3.09Å
678K96.4Very high96.3Very high49 Ų4936.6 Ų36.621%0.21318%0.175CC..G310 helixtrans-102-5.8-177.8-58.8-76-173.3152.70112.4I637 E638 L640 P642 V645 N646 L675 A676I637-K678 HydrophobicContact CD1-CG 4.37Å; E638-K678 PolarHBondContact O-NZ 3.21Å; L640-K678 WeakPolarHBondContact O-CE 3.48Å; L640-K678 PolarHBondContact O-NZ 3.25Å; P642-K678 HydrophobicContact CG-CD 4.14Å; V645-K678 HydrophobicContact CB-CB 4.32Å; V645-K678 HydrophobicContact CG1-CB 4.23Å; V645-K678 HydrophobicContact CG2-CB 4.12Å; N646-K678 PolarHBondContact ND2-O 3.09Å; L675-K678 WeakPolarHBondContact O-CA 3.44Å; L675-K678 WeakPolarHBondContact O-CB 3.45Å; L675-K678 PolarHBondContact O-N 3.29Å; A676-K678 PolarHBondContact O-N 3.28Å
679L97.6Very high96.2Very high18 Ų1837 Ų379%0.09418%0.177CC..  trans-81.5141.8-179.3-65.2-178.6000111.5V645 N646 F650 L675 A676 N683 L684 L688V645-L679 HydrophobicContact CG1-CD2 3.93Å; N646-L679 WeakPolarHBondContact OD1-CA 3.49Å; F650-L679 HydrophobicContact CB-CD2 4.34Å; F650-L679 HydrophobicContact CD2-CD1 4.12Å; F650-L679 HydrophobicContact CD2-CD2 3.41Å; F650-L679 VanDerWaalsContact CD2-CD2 3.41Å; F650-L679 HydrophobicContact CD2-CG 4.43Å; F650-L679 HydrophobicContact CE2-CD1 3.7Å; F650-L679 HydrophobicContact CE2-CD2 3.86Å; F650-L679 HydrophobicContact CE2-CG 4.46Å; F650-L679 HydrophobicContact CG-CD2 4Å; F650-L679 HydrophobicContact CZ-CD1 4.49Å; L675-L679 HydrophobicContact CB-CD2 4.46Å; L675-L679 HydrophobicContact CB-CG 4.35Å; L675-L679 PolarHBondContact O-N 3.05Å; A676-L679 PolarHBondContact O-N 3.32Å; L679-N683 HydrophobicContact CB-CB 4.4Å; L679-N683 HydrophobicContact CD2-CB 4.26Å; L679-L684 HydrophobicContact CB-CB 3.84Å; L679-L684 HydrophobicContact CD1-CB 4.48Å; L679-L684 HydrophobicContact CD1-CD1 4.42Å; L679-L688 HydrophobicContact CD1-CB 4.33Å; L679-L688 HydrophobicContact CD1-CD2 3.64Å
680N96.5Very high96.2Very high71 Ų7140.6 Ų40.638%0.3819%0.191SC..  trans-74.1172.5172.569.931.4000110.9N646 R682 N683 L684N646-N680 PolarHBondContact ND2-N 2.86Å; N646-N680 VanDerWaalsContact OD1-CG 3.31Å; N646-N680 PolarHBondContact OD1-N 3.16Å; N646-N680 PolarHBondContact OD1-ND2 2.95Å; N680-R682 PolarHBondContact O-N 2.79Å; N680-R682 PolarHBondContact OD1-N 2.85Å; N680-N683 PolarHBondContact O-N 3.24Å; N680-N683 WeakPolarHBondContact OD1-CB 3.29Å; N680-N683 PolarHBondContact OD1-N 2.89Å; N680-L684 VanDerWaalsContact O-CB 3.31Å; N680-L684 WeakPolarHBondContact O-CB 3.42Å; N680-L684 PolarHBondContact O-N 2.84Å
681Y94.9Very high96.3Very high125 Ų12541.3 Ų41.349%0.4919%0.193SC..Hα-helixtrans-52.6-50.6-176.8-178.3-86.2000112.8N685 H720Y681-N685 HydrophobicContact CE1-CB 4.4Å; Y681-N685 WeakPolarHBondContact O-CB 3.1Å; Y681-N685 PolarHBondContact O-N 3.29Å; Y681-N685 PolarHBondContact O-ND2 3.12Å; Y681-H720 HydrophobicContact CD2-CB 4.45Å; Y681-H720 HydrophobicContact CE2-CB 3.61Å; Y681-H720 AromaticContact CE2-CD2 3.77Å; Y681-H720 AromaticContact CE2-CG 3.68Å
682R95.9Very high96.3Very high168 Ų16841.2 Ų41.263%0.63419%0.192SC*.Hα-helixtrans-63.1-51.4-177.4176-179172.3153.8-0.7111.7N680 L684 T686 E687N680-R682 PolarHBondContact O-N 2.79Å; N680-R682 PolarHBondContact OD1-N 2.85Å; R682-L684 VanDerWaalsContact C-N 3.31Å; R682-L684 PolarHBondContact O-N 2.94Å; R682-T686 WeakPolarHBondContact O-CA 3.22Å; R682-T686 WeakPolarHBondContact O-CB 3.32Å; R682-T686 PolarHBondContact O-N 3.42Å; R682-E687 PolarHBondContact O-N 3.02Å; R682-E687 VanDerWaalsContact O-N 3.13Å
683N97.8Very high96.3Very high17 Ų1742.2 Ų42.29%0.09120%0.198CC..Iπ-helixtrans-66.4-35.5-175.3-73.9-10.5000111.7N646 F650 L679 N680 L688N646-N683 PolarHBondContact OD1-ND2 3.36Å; F650-N683 HydrophobicContact CD1-CB 3.76Å; F650-N683 WeakPolarHBondContact CD1-ND2 3.41Å; F650-N683 HydrophobicContact CE1-CB 3.53Å; F650-N683 VanDerWaalsContact CE1-CG 3.45Å; F650-N683 HydrophobicContact CE2-CB 4.34Å; F650-N683 HydrophobicContact CG-CB 4.26Å; F650-N683 HydrophobicContact CZ-CB 3.83Å; F650-N683 WeakPolarHBondContact CZ-O 3.29Å; L679-N683 HydrophobicContact CB-CB 4.4Å; L679-N683 HydrophobicContact CD2-CB 4.26Å; N680-N683 PolarHBondContact O-N 3.24Å; N680-N683 WeakPolarHBondContact OD1-CB 3.29Å; N680-N683 PolarHBondContact OD1-N 2.89Å; N683-L688 WeakPolarHBondContact O-CB 3.43Å; N683-L688 PolarHBondContact O-N 3.19Å
684L97Very high96.4Very high7 Ų746.8 Ų46.84%0.03721%0.212CC..Iπ-helixtrans-77.7-54.9177.7179.458.3000112.7A676 L679 N680 R682 L688 L689 I715 H718 L719A676-L684 HydrophobicContact CB-CD1 4.13Å; L679-L684 HydrophobicContact CB-CB 3.84Å; L679-L684 HydrophobicContact CD1-CB 4.48Å; L679-L684 HydrophobicContact CD1-CD1 4.42Å; N680-L684 VanDerWaalsContact O-CB 3.31Å; N680-L684 WeakPolarHBondContact O-CB 3.42Å; N680-L684 PolarHBondContact O-N 2.84Å; R682-L684 VanDerWaalsContact C-N 3.31Å; R682-L684 PolarHBondContact O-N 2.94Å; L684-L688 HydrophobicContact CD1-CD2 3.99Å; L684-L689 PolarHBondContact O-N 2.95Å; L684-I715 HydrophobicContact CD1-CD1 4.29Å; L684-H718 HydrophobicContact CD2-CB 3.63Å; L684-H718 WeakPolarHBondContact CD2-O 3.45Å; L684-L719 HydrophobicContact CD1-CD2 4.03Å; L684-L719 HydrophobicContact CG-CD2 3.95Å
685N95.2Very high96.4Very high10 Ų1044.5 Ų44.55%0.05320%0.202CC..Iπ-helixtrans-87.1-17-166.1-67.9-75000113.8Y681 L719 H720 N723Y681-N685 HydrophobicContact CE1-CB 4.4Å; Y681-N685 WeakPolarHBondContact O-CB 3.1Å; Y681-N685 PolarHBondContact O-N 3.29Å; Y681-N685 PolarHBondContact O-ND2 3.12Å; N685-L719 VanDerWaalsContact OD1-CA 3.28Å; N685-L719 WeakPolarHBondContact OD1-CA 3.49Å; N685-H720 PolarHBondContact OD1-N 2.7Å; N685-N723 WeakPolarHBondContact CB-ND2 3.35Å; N685-N723 PolarHBondContact O-ND2 2.93Å
686T95.3Very high96.4Very high59 Ų5944.7 Ų44.736%0.36220%0.203SC..Iπ-helixtrans-113.4-63-179.8-49.90000110R682 R690R682-T686 WeakPolarHBondContact O-CA 3.22Å; R682-T686 WeakPolarHBondContact O-CB 3.32Å; R682-T686 PolarHBondContact O-N 3.42Å; T686-R690 VanDerWaalsContact O-CB 3.23Å; T686-R690 WeakPolarHBondContact O-CB 3.16Å; T686-R690 PolarHBondContact O-N 3.45Å; T686-R690 VanDerWaalsContact O-N 3.17Å
687E97Very high96.4Very high37 Ų3747.9 Ų47.917%0.17323%0.225CC..Iπ-helixtrans-72.2-61.2-171.2-60.4-59.7122.300112.5F650 R682 L689 R690 Y691F650-E687 HydrophobicContact CE1-CB 3.78Å; F650-E687 HydrophobicContact CE1-CG 4.32Å; F650-E687 HydrophobicContact CZ-CB 3.91Å; R682-E687 PolarHBondContact O-N 3.02Å; R682-E687 VanDerWaalsContact O-N 3.13Å; E687-L689 VanDerWaalsContact C-N 3.3Å; E687-L689 PolarHBondContact O-N 3.06Å; E687-R690 WeakPolarHBondContact O-CB 3.47Å; E687-R690 PolarHBondContact O-N 3.42Å; E687-R690 VanDerWaalsContact O-N 3.14Å; E687-R690 IonicContact OE1-CZ 3.02Å; E687-R690 IonicContact OE1-NH1 3.6Å; E687-R690 PolarHBondContact OE1-NH1 3.48Å; E687-R690 VanDerWaalsContact OE1-NH1 3.09Å; E687-R690 IonicContact OE1-NH2 3.77Å; E687-R690 PolarHBondContact OE1-NH2 3.02Å; E687-R690 IonicContact OE2-CZ 3.17Å; E687-R690 IonicContact OE2-NH1 3.66Å; E687-R690 PolarHBondContact OE2-NH1 2.91Å; E687-R690 IonicContact OE2-NH2 3.82Å; E687-Y691 VanDerWaalsContact O-CD2 3.23Å; E687-Y691 WeakPolarHBondContact O-CD2 3.47Å; E687-Y691 PolarHBondContact O-N 2.93Å; E687-Y691 VanDerWaalsContact O-N 3.13Å
688L97.7Very high96.4Very high1 Ų150.8 Ų50.81%0.00523%0.229CC..Iπ-helixtrans-58.9-44.1-17717559000111.4F650 F657 A672 L679 N683 L684 R690 Y691 L692 I715F650-L688 HydrophobicContact CE2-CB 4.35Å; F650-L688 HydrophobicContact CZ-CB 4.21Å; F657-L688 HydrophobicContact CE1-CD1 4.43Å; F657-L688 HydrophobicContact CE2-CD1 3.78Å; F657-L688 HydrophobicContact CZ-CD1 3.4Å; F657-L688 VanDerWaalsContact CZ-CD1 3.4Å; A672-L688 HydrophobicContact CB-CD1 3.8Å; A672-L688 HydrophobicContact CB-CD2 4.39Å; L679-L688 HydrophobicContact CD1-CB 4.33Å; L679-L688 HydrophobicContact CD1-CD2 3.64Å; N683-L688 WeakPolarHBondContact O-CB 3.43Å; N683-L688 PolarHBondContact O-N 3.19Å; L684-L688 HydrophobicContact CD1-CD2 3.99Å; L688-R690 VanDerWaalsContact C-N 3.32Å; L688-R690 PolarHBondContact O-N 3.49Å; L688-Y691 PolarHBondContact O-N 3.48Å; L688-L692 HydrophobicContact CD1-CD1 3.94Å; L688-L692 HydrophobicContact CD1-CD2 4.47Å; L688-L692 HydrophobicContact CD1-CG 3.92Å; L688-L692 HydrophobicContact CG-CD1 3.97Å; L688-L692 HydrophobicContact CG-CG 4.36Å; L688-L692 WeakPolarHBondContact O-CG 3.37Å; L688-L692 PolarHBondContact O-N 3.44Å; L688-I715 HydrophobicContact CD2-CD1 4.01Å; L688-I715 HydrophobicContact CG-CD1 4.37Å
689L95.7Very high96.4Very high9 Ų949.1 Ų49.15%0.04722%0.223CC..Hα-helixtrans-61.7-40.9179.1-167.260.6000111.7L684 E687 Y691 L692 V693 L719 V727L684-L689 PolarHBondContact O-N 2.95Å; E687-L689 VanDerWaalsContact C-N 3.3Å; E687-L689 PolarHBondContact O-N 3.06Å; L689-Y691 PolarHBondContact O-N 3.36Å; L689-L692 PolarHBondContact O-N 3.15Å; L689-V693 HydrophobicContact CD1-CG2 4.34Å; L689-V693 HydrophobicContact CG-CG2 4.46Å; L689-V693 WeakPolarHBondContact O-CB 3.26Å; L689-V693 VanDerWaalsContact O-CG2 3.29Å; L689-V693 WeakPolarHBondContact O-CG2 3.22Å; L689-V693 PolarHBondContact O-N 2.92Å; L689-L719 HydrophobicContact CD1-CD1 4.14Å; L689-L719 HydrophobicContact CD2-CD1 4.47Å; L689-V727 HydrophobicContact CD1-CG1 4.15Å; L689-V727 HydrophobicContact CD2-CB 4.19Å; L689-V727 HydrophobicContact CD2-CG1 4.07Å; L689-V727 HydrophobicContact CD2-CG2 3.92Å; L689-V727 HydrophobicContact CG-CG1 4.21Å
690R96.7Very high96.3Very high76 Ų7656.7 Ų56.729%0.28726%0.258SS..Hα-helixtrans-58.6-48.1175-170.6-166-52.5113.4-4.2111.5T686 E687 L688 R694 W911T686-R690 VanDerWaalsContact O-CB 3.23Å; T686-R690 WeakPolarHBondContact O-CB 3.16Å; T686-R690 PolarHBondContact O-N 3.45Å; T686-R690 VanDerWaalsContact O-N 3.17Å; E687-R690 WeakPolarHBondContact O-CB 3.47Å; E687-R690 PolarHBondContact O-N 3.42Å; E687-R690 VanDerWaalsContact O-N 3.14Å; E687-R690 IonicContact OE1-CZ 3.02Å; E687-R690 IonicContact OE1-NH1 3.6Å; E687-R690 PolarHBondContact OE1-NH1 3.48Å; E687-R690 VanDerWaalsContact OE1-NH1 3.09Å; E687-R690 IonicContact OE1-NH2 3.77Å; E687-R690 PolarHBondContact OE1-NH2 3.02Å; E687-R690 IonicContact OE2-CZ 3.17Å; E687-R690 IonicContact OE2-NH1 3.66Å; E687-R690 PolarHBondContact OE2-NH1 2.91Å; E687-R690 IonicContact OE2-NH2 3.82Å; L688-R690 VanDerWaalsContact C-N 3.32Å; L688-R690 PolarHBondContact O-N 3.49Å; R690-R694 WeakPolarHBondContact O-CB 3.44Å; R690-R694 PolarHBondContact O-N 3.32Å; R690-W911 HydrophobicContact CG-CZ3 4.35Å
691Y98.2Very high96.3Very high50 Ų5056.4 Ų56.420%0.19625%0.254CS..Hα-helixtrans-63.6-45.5179.4-76.6-70.2000112.5V654 F657 T658 E687 L688 L689 R694 L695V654-Y691 HydrophobicContact CB-CD2 4.28Å; V654-Y691 HydrophobicContact CB-CE2 3.78Å; V654-Y691 HydrophobicContact CG1-CD2 4.26Å; V654-Y691 HydrophobicContact CG1-CE2 4.04Å; V654-Y691 HydrophobicContact CG2-CE2 4.37Å; F657-Y691 HydrophobicContact CB-CD1 3.7Å; F657-Y691 HydrophobicContact CB-CE1 4.4Å; F657-Y691 HydrophobicContact CB-CG 4.05Å; F657-Y691 HydrophobicContact CD2-CD1 4.13Å; F657-Y691 HydrophobicContact CD2-CD2 4Å; F657-Y691 AromaticContact CD2-CG 3.66Å; F657-Y691 HydrophobicContact CD2-CG 3.66Å; F657-Y691 HydrophobicContact CE2-CD2 4.49Å; F657-Y691 HydrophobicContact CE2-CG 4.39Å; F657-Y691 HydrophobicContact CG-CD1 4.22Å; F657-Y691 HydrophobicContact CG-CG 4.05Å; T658-Y691 HydrophobicContact CG2-CD1 4.37Å; T658-Y691 HydrophobicContact CG2-CE1 3.95Å; E687-Y691 VanDerWaalsContact O-CD2 3.23Å; E687-Y691 WeakPolarHBondContact O-CD2 3.47Å; E687-Y691 PolarHBondContact O-N 2.93Å; E687-Y691 VanDerWaalsContact O-N 3.13Å; L688-Y691 PolarHBondContact O-N 3.48Å; L689-Y691 PolarHBondContact O-N 3.36Å; Y691-R694 PolarHBondContact O-N 3.16Å; Y691-L695 WeakPolarHBondContact O-CG 3.37Å; Y691-L695 PolarHBondContact O-N 3.24Å
692L97.8Very high96.3Very high0 Ų052.3 Ų52.30%024%0.243CC..Hα-helixtrans-65.1-41.9-179.6-68.1177.1000112.3F657 V669 L688 L689 L695 L696 A711 I712 I715F657-L692 HydrophobicContact CE1-CD2 3.94Å; F657-L692 HydrophobicContact CZ-CD2 4.42Å; V669-L692 HydrophobicContact CG1-CD2 4.07Å; V669-L692 HydrophobicContact CG2-CD2 4.2Å; L688-L692 HydrophobicContact CD1-CD1 3.94Å; L688-L692 HydrophobicContact CD1-CD2 4.47Å; L688-L692 HydrophobicContact CD1-CG 3.92Å; L688-L692 HydrophobicContact CG-CD1 3.97Å; L688-L692 HydrophobicContact CG-CG 4.36Å; L688-L692 WeakPolarHBondContact O-CG 3.37Å; L688-L692 PolarHBondContact O-N 3.44Å; L689-L692 PolarHBondContact O-N 3.15Å; L692-L695 PolarHBondContact O-N 3.42Å; L692-L696 PolarHBondContact O-N 2.87Å; L692-A711 HydrophobicContact CD1-CB 4.29Å; L692-A711 HydrophobicContact CD2-CB 4.14Å; L692-I712 HydrophobicContact CB-CD1 3.9Å; L692-I712 HydrophobicContact CB-CG1 3.7Å; L692-I712 HydrophobicContact CD1-CG1 3.95Å; L692-I712 HydrophobicContact CG-CG1 4.45Å; L692-I715 HydrophobicContact CD1-CD1 3.6Å
693V96.5Very high96.1Very high21 Ų2144.5 Ų44.513%0.12721%0.214CC..Hα-helixtrans-66.7-42.9177173.40000110.8L689 L695 L696 C697 I712 V727 T731L689-V693 HydrophobicContact CD1-CG2 4.34Å; L689-V693 HydrophobicContact CG-CG2 4.46Å; L689-V693 WeakPolarHBondContact O-CB 3.26Å; L689-V693 VanDerWaalsContact O-CG2 3.29Å; L689-V693 WeakPolarHBondContact O-CG2 3.22Å; L689-V693 PolarHBondContact O-N 2.92Å; V693-L695 VanDerWaalsContact C-N 3.31Å; V693-L695 PolarHBondContact O-N 3.19Å; V693-L696 PolarHBondContact O-N 3.4Å; V693-C697 PolarHBondContact O-N 3.49Å; V693-C697 PolarHBondContact O-SG 3.19Å; V693-C697 VanDerWaalsContact O-SG 3.36Å; V693-I712 HydrophobicContact CG2-CD1 3.99Å; V693-V727 HydrophobicContact CG2-CG1 3.99Å; V693-T731 HydrophobicContact CG2-CG2 4.25Å
694R96.6Very high96.1Very high124 Ų12443.7 Ų43.747%0.46821%0.21SC..Hα-helixtrans-56.8-45.5174.6179.1178.1175.5164.71.4111.3R690 Y691 C697 K698R690-R694 WeakPolarHBondContact O-CB 3.44Å; R690-R694 PolarHBondContact O-N 3.32Å; Y691-R694 PolarHBondContact O-N 3.16Å; R694-C697 PolarHBondContact O-N 3Å; R694-K698 WeakPolarHBondContact O-CB 3.47Å; R694-K698 PolarHBondContact O-N 2.83Å
695L96.7Very high96.1Very high13 Ų1344.9 Ų44.97%0.06821%0.214CC..Hα-helixtrans-65.1-44.3178.6-72.6176.4000112.2F657 V669 Y691 L692 V693 C697 D699 I704 R705 A708F657-L695 HydrophobicContact CB-CD1 4.21Å; F657-L695 HydrophobicContact CD1-CD1 3.59Å; F657-L695 HydrophobicContact CE1-CD1 4.42Å; F657-L695 HydrophobicContact CG-CD1 4.32Å; V669-L695 HydrophobicContact CG2-CD1 3.48Å; V669-L695 VanDerWaalsContact CG2-CD1 3.48Å; Y691-L695 WeakPolarHBondContact O-CG 3.37Å; Y691-L695 PolarHBondContact O-N 3.24Å; L692-L695 PolarHBondContact O-N 3.42Å; V693-L695 VanDerWaalsContact C-N 3.31Å; V693-L695 PolarHBondContact O-N 3.19Å; L695-C697 VanDerWaalsContact C-N 3.3Å; L695-C697 PolarHBondContact O-N 3.36Å; L695-D699 HydrophobicContact CD2-CB 4.04Å; L695-D699 VanDerWaalsContact CD2-OD2 3.23Å; L695-D699 WeakPolarHBondContact CD2-OD2 3.43Å; L695-D699 WeakPolarHBondContact O-CB 3.14Å; L695-D699 PolarHBondContact O-N 2.87Å; L695-D699 VanDerWaalsContact O-N 3.08Å; L695-I704 HydrophobicContact CB-CG2 4.28Å; L695-I704 HydrophobicContact CD1-CG2 4.37Å; L695-I704 HydrophobicContact CD2-CG2 4.27Å; L695-R705 WeakPolarHBondContact O-CG 3.23Å; L695-A708 HydrophobicContact CB-CB 4.2Å
696L96.2Very high96.1Very high5 Ų544.6 Ų44.63%0.02621%0.213CC..Hα-helixtrans-58.9-40.8174.4170.954.5000112.3L692 V693 R705 A708 T709 I712 T731 A735 T743L692-L696 PolarHBondContact O-N 2.87Å; V693-L696 PolarHBondContact O-N 3.4Å; L696-R705 HydrophobicContact CD1-CB 4.18Å; L696-R705 WeakPolarHBondContact O-CD 3.33Å; L696-A708 HydrophobicContact CB-CB 4.13Å; L696-T709 WeakPolarHBondContact CD1-OG1 3.49Å; L696-I712 HydrophobicContact CD2-CD1 4.33Å; L696-T731 HydrophobicContact CD2-CG2 3.29Å; L696-A735 HydrophobicContact CD1-CB 4.09Å; L696-A735 HydrophobicContact CD2-CB 4.28Å; L696-T743 HydrophobicContact CD1-CG2 4.02Å
697C94.7Very high96.1Very high69 Ų6941.9 Ų41.947%0.46620%0.196SC..Hα-helixtrans-86.5-34.8-174.2-63.60000113.9V693 R694 L695V693-C697 PolarHBondContact O-N 3.49Å; V693-C697 PolarHBondContact O-SG 3.19Å; V693-C697 VanDerWaalsContact O-SG 3.36Å; R694-C697 PolarHBondContact O-N 3Å; L695-C697 VanDerWaalsContact C-N 3.3Å; L695-C697 PolarHBondContact O-N 3.36Å
698K94.2Very high96.1Very high137 Ų13740.1 Ų40.160%0.59619%0.188SC*.Hα-helixtrans-121.6-9.2-166.2-60.7-171.3177.7-174.80114.5R694 E700 D912R694-K698 WeakPolarHBondContact O-CB 3.47Å; R694-K698 PolarHBondContact O-N 2.83Å; K698-E700 PolarHBondContact O-N 3.41Å; K698-D912 IonicContact NZ-OD1 3.15Å; K698-D912 PolarHBondContact NZ-OD1 3.35Å; K698-D912 VanDerWaalsContact NZ-OD1 3.13Å
699D96.8Very high96.1Very high14 Ų1440 Ų408%0.07519%0.187CC..  trans-71.1130.1-179.9-160.5-64.2000111.1R665 L695 H701 I704 R705R665-D699 IonicContact CZ-OD2 2.86Å; R665-D699 IonicContact NE-OD2 3.61Å; R665-D699 PolarHBondContact NE-OD2 3.39Å; R665-D699 IonicContact NH2-OD1 2.68Å; R665-D699 PolarHBondContact NH2-OD1 3.48Å; R665-D699 IonicContact NH2-OD2 3.57Å; R665-D699 PolarHBondContact NH2-OD2 2.97Å; L695-D699 HydrophobicContact CD2-CB 4.04Å; L695-D699 VanDerWaalsContact CD2-OD2 3.23Å; L695-D699 WeakPolarHBondContact CD2-OD2 3.43Å; L695-D699 WeakPolarHBondContact O-CB 3.14Å; L695-D699 PolarHBondContact O-N 2.87Å; L695-D699 VanDerWaalsContact O-N 3.08Å; D699-H701 PolarHBondContact O-N 3.23Å; D699-H701 WeakPolarHBondContact OD1-CB 3.32Å; D699-H701 PolarHBondContact OD1-N 2.9Å; D699-I704 HydrophobicContact CB-CB 4.5Å; D699-I704 HydrophobicContact CB-CG2 4.21Å; D699-R705 HydrophobicContact CB-CG 4.28Å; D699-R705 VanDerWaalsContact O-CD 3.28Å; D699-R705 WeakPolarHBondContact O-CD 3.42Å; D699-R705 WeakPolarHBondContact O-CG 3.22Å; D699-R705 PolarHBondContact O-NH1 3.44Å
700E94.7Very high96.1Very high178 Ų17840 Ų4083%0.83219%0.188SC*.SBendtrans-61.7-32.5179.9-61.6176.3172.800112K698 P702 R705K698-E700 PolarHBondContact O-N 3.41Å; E700-P702 VanDerWaalsContact O-CD 3.31Å; E700-P702 WeakPolarHBondContact O-CD 3.38Å; E700-R705 PolarHBondContact O-NH1 2.68Å
701H96.6Very high96Very high65 Ų6536.4 Ų36.430%0.30117%0.174SC..  trans-87.2113.5-174.2-157.9-75.3000111.7V662 D699 G703 I704 R705 I846V662-H701 HydrophobicContact CG1-CB 4.14Å; D699-H701 PolarHBondContact O-N 3.23Å; D699-H701 WeakPolarHBondContact OD1-CB 3.32Å; D699-H701 PolarHBondContact OD1-N 2.9Å; H701-G703 VanDerWaalsContact C-N 3.29Å; H701-G703 PolarHBondContact ND1-N 3.45Å; H701-G703 PolarHBondContact O-N 3.18Å; H701-G703 VanDerWaalsContact O-N 3.15Å; H701-I704 HydrophobicContact CB-CD1 4.1Å; H701-I704 HydrophobicContact CB-CG1 4.22Å; H701-I704 PolarHBondContact O-N 2.83Å; H701-R705 PolarHBondContact O-N 3.05Å; H701-I846 WeakPolarHBondContact CE1-CD1 3.43Å; H701-I846 WeakPolarHBondContact NE2-CD1 3.36Å
702P94.3Very high96Very high39 Ų3934 Ų3425%0.25317%0.165SC..Hα-helixtrans-60.1-35.3-171.9-24.233.9000114.4E700 I704 R705 T706 F740E700-P702 VanDerWaalsContact O-CD 3.31Å; E700-P702 WeakPolarHBondContact O-CD 3.38Å; P702-I704 VanDerWaalsContact C-N 3.28Å; P702-I704 PolarHBondContact O-N 3.29Å; P702-R705 WeakPolarHBondContact O-CB 3.47Å; P702-R705 PolarHBondContact O-N 3.37Å; P702-R705 VanDerWaalsContact O-N 3.17Å; P702-T706 PolarHBondContact O-N 3.1Å; P702-T706 PolarHBondContact O-OG1 3.34Å; P702-T706 VanDerWaalsContact O-OG1 3.13Å; P702-F740 HydrophobicContact CB-CB 3.72Å; P702-F740 HydrophobicContact CB-CD1 3.36Å; P702-F740 HydrophobicContact CB-CD2 3.94Å; P702-F740 HydrophobicContact CB-CE1 3.86Å; P702-F740 HydrophobicContact CB-CE2 4.39Å; P702-F740 HydrophobicContact CB-CG 3.4Å; P702-F740 VanDerWaalsContact CB-CG 3.4Å; P702-F740 HydrophobicContact CB-CZ 4.34Å; P702-F740 HydrophobicContact CG-CG 4.38Å
703G93.6Very high95.8Very high4 Ų434.1 Ų34.14%0.04117%0.166CC..Hα-helixtrans-66.2-27.2177.800000114.2H701 N707H701-G703 VanDerWaalsContact C-N 3.29Å; H701-G703 PolarHBondContact ND1-N 3.45Å; H701-G703 PolarHBondContact O-N 3.18Å; H701-G703 VanDerWaalsContact O-N 3.15Å; G703-N707 WeakPolarHBondContact O-CB 3.37Å; G703-N707 VanDerWaalsContact O-CG 3.26Å; G703-N707 PolarHBondContact O-N 3.33Å; G703-N707 PolarHBondContact O-ND2 3.06Å
704I96.1Very high95.6Very high0 Ų034.9 Ų34.90%017%0.167CC..Hα-helixtrans-71.5-42.3172.8-65.4178.8000109.5V662 R665 E666 V669 L695 D699 H701 P702 T706 N707 A708V662-I704 HydrophobicContact CG1-CD1 3.73Å; V662-I704 HydrophobicContact CG1-CG1 4.48Å; R665-I704 HydrophobicContact CB-CD1 3.8Å; E666-I704 HydrophobicContact CB-CD1 4.48Å; E666-I704 HydrophobicContact CB-CG1 4.13Å; E666-I704 HydrophobicContact CG-CG1 4.46Å; V669-I704 HydrophobicContact CG2-CG2 4.48Å; L695-I704 HydrophobicContact CB-CG2 4.28Å; L695-I704 HydrophobicContact CD1-CG2 4.37Å; L695-I704 HydrophobicContact CD2-CG2 4.27Å; D699-I704 HydrophobicContact CB-CB 4.5Å; D699-I704 HydrophobicContact CB-CG2 4.21Å; H701-I704 HydrophobicContact CB-CD1 4.1Å; H701-I704 HydrophobicContact CB-CG1 4.22Å; H701-I704 PolarHBondContact O-N 2.83Å; P702-I704 VanDerWaalsContact C-N 3.28Å; P702-I704 PolarHBondContact O-N 3.29Å; I704-T706 VanDerWaalsContact C-N 3.32Å; I704-T706 PolarHBondContact O-N 2.71Å; I704-N707 PolarHBondContact O-N 2.9Å; I704-A708 WeakPolarHBondContact O-CB 3.2Å; I704-A708 PolarHBondContact O-N 3.2Å
705R97.2Very high95.4Very high31 Ų3129 Ų2912%0.11715%0.145CC..Hα-helixtrans-58.7-44.1174.4-55-162.7-62-90.94.4111.6L695 L696 D699 E700 H701 P702 A708 T709 D738 T743L695-R705 WeakPolarHBondContact O-CG 3.23Å; L696-R705 HydrophobicContact CD1-CB 4.18Å; L696-R705 WeakPolarHBondContact O-CD 3.33Å; D699-R705 HydrophobicContact CB-CG 4.28Å; D699-R705 VanDerWaalsContact O-CD 3.28Å; D699-R705 WeakPolarHBondContact O-CD 3.42Å; D699-R705 WeakPolarHBondContact O-CG 3.22Å; D699-R705 PolarHBondContact O-NH1 3.44Å; E700-R705 PolarHBondContact O-NH1 2.68Å; H701-R705 PolarHBondContact O-N 3.05Å; P702-R705 WeakPolarHBondContact O-CB 3.47Å; P702-R705 PolarHBondContact O-N 3.37Å; P702-R705 VanDerWaalsContact O-N 3.17Å; R705-A708 PolarHBondContact O-N 2.91Å; R705-T709 PolarHBondContact O-N 2.68Å; R705-T709 PolarHBondContact O-OG1 3.49Å; R705-D738 IonicContact CZ-OD1 3.27Å; R705-D738 IonicContact CZ-OD2 3.87Å; R705-D738 IonicContact NE-OD1 2.63Å; R705-D738 IonicContact NE-OD2 3.61Å; R705-D738 PolarHBondContact NE-OD2 2.81Å; R705-D738 IonicContact NH2-OD1 3.7Å; R705-D738 PolarHBondContact NH2-OD1 3.28Å; R705-D738 IonicContact NH2-OD2 3.61Å; R705-T743 HydrophobicContact CB-CG2 4.38Å
706T96.1Very high95.2Very high5 Ų528.4 Ų28.43%0.03114%0.142CC..Hα-helixtrans-58.3-52.2173.2-53.30000111.4P702 I704 A708 T709 V710 P742 T743 A746P702-T706 PolarHBondContact O-N 3.1Å; P702-T706 PolarHBondContact O-OG1 3.34Å; P702-T706 VanDerWaalsContact O-OG1 3.13Å; I704-T706 VanDerWaalsContact C-N 3.32Å; I704-T706 PolarHBondContact O-N 2.71Å; T706-A708 VanDerWaalsContact C-N 3.33Å; T706-A708 PolarHBondContact O-N 2.95Å; T706-T709 WeakPolarHBondContact O-CB 3.21Å; T706-T709 PolarHBondContact O-N 2.85Å; T706-V710 WeakPolarHBondContact O-CG2 3.47Å; T706-V710 PolarHBondContact O-N 3.36Å; T706-P742 HydrophobicContact CG2-CB 4.17Å; T706-T743 PolarHBondContact N-OG1 3.27Å; T706-T743 PolarHBondContact OG1-N 3.46Å; T706-T743 PolarHBondContact OG1-OG1 3.5Å; T706-A746 HydrophobicContact CG2-CB 3.93Å
707N95.7Very high95Very high1 Ų128.5 Ų28.51%0.00514%0.143CC..Hα-helixtrans-63.6-35.9-179.5-73-28.9000112.7E666 V669 K670 G703 I704 V710 A711 F842 Q843E666-N707 VanDerWaalsContact CG-ND2 3.3Å; E666-N707 WeakPolarHBondContact CG-ND2 3.38Å; E666-N707 PolarHBondContact OE1-ND2 3.2Å; V669-N707 HydrophobicContact CG1-CB 4Å; V669-N707 WeakPolarHBondContact CG1-O 3.44Å; K670-N707 VanDerWaalsContact CE-ND2 3.31Å; K670-N707 WeakPolarHBondContact CE-ND2 3.29Å; G703-N707 WeakPolarHBondContact O-CB 3.37Å; G703-N707 VanDerWaalsContact O-CG 3.26Å; G703-N707 PolarHBondContact O-N 3.33Å; G703-N707 PolarHBondContact O-ND2 3.06Å; I704-N707 PolarHBondContact O-N 2.9Å; N707-V710 PolarHBondContact O-N 2.96Å; N707-A711 WeakPolarHBondContact O-CB 3.47Å; N707-A711 PolarHBondContact O-N 3.03Å; N707-F842 HydrophobicContact CB-CD1 4.2Å; N707-Q843 PolarHBondContact OD1-N 3.43Å
708A97.3Very high94.8Very high0 Ų027.3 Ų27.30%013%0.131CC..Hα-helixtrans-64.7-43.217600000111V669 L695 L696 I704 R705 T706 V710 A711 I712V669-A708 HydrophobicContact CG1-CB 4.35Å; L695-A708 HydrophobicContact CB-CB 4.2Å; L696-A708 HydrophobicContact CB-CB 4.13Å; I704-A708 WeakPolarHBondContact O-CB 3.2Å; I704-A708 PolarHBondContact O-N 3.2Å; R705-A708 PolarHBondContact O-N 2.91Å; T706-A708 VanDerWaalsContact C-N 3.33Å; T706-A708 PolarHBondContact O-N 2.95Å; A708-V710 VanDerWaalsContact C-N 3.35Å; A708-V710 PolarHBondContact O-N 2.78Å; A708-A711 PolarHBondContact O-N 2.94Å; A708-I712 VanDerWaalsContact O-CG1 3.29Å; A708-I712 WeakPolarHBondContact O-CG1 3.4Å; A708-I712 PolarHBondContact O-N 2.86Å
709T96.9Very high94.7Very high0 Ų020.8 Ų20.80%010%0.102CC..Hα-helixtrans-56.6-48.9172.8-52.80000111.3L696 R705 T706 A711 I712 G713 F732 A735 A746 A750L696-T709 WeakPolarHBondContact CD1-OG1 3.49Å; R705-T709 PolarHBondContact O-N 2.68Å; R705-T709 PolarHBondContact O-OG1 3.49Å; T706-T709 WeakPolarHBondContact O-CB 3.21Å; T706-T709 PolarHBondContact O-N 2.85Å; T709-A711 PolarHBondContact O-N 2.78Å; T709-I712 PolarHBondContact O-N 3.11Å; T709-G713 PolarHBondContact O-N 2.83Å; T709-F732 HydrophobicContact CG2-CD1 4.04Å; T709-F732 HydrophobicContact CG2-CE1 4.36Å; T709-A735 HydrophobicContact CG2-CB 3.68Å; T709-A746 HydrophobicContact CG2-CB 4.01Å; T709-A750 HydrophobicContact CG2-CB 4.35Å
710V95.2Very high94.6Very high9 Ų923.2 Ų23.26%0.05511%0.113CC..Hα-helixtrans-61.9-43.2177.9172.90000111.1T706 N707 A708 G713 K714 A746 L838 F842T706-V710 WeakPolarHBondContact O-CG2 3.47Å; T706-V710 PolarHBondContact O-N 3.36Å; N707-V710 PolarHBondContact O-N 2.96Å; A708-V710 VanDerWaalsContact C-N 3.35Å; A708-V710 PolarHBondContact O-N 2.78Å; V710-G713 PolarHBondContact O-N 2.77Å; V710-K714 HydrophobicContact CG1-CD 4.26Å; V710-K714 HydrophobicContact CG1-CG 4.42Å; V710-K714 WeakPolarHBondContact O-CG 3.25Å; V710-K714 PolarHBondContact O-N 2.99Å; V710-A746 HydrophobicContact CG2-CB 3.93Å; V710-L838 HydrophobicContact CB-CD2 4.3Å; V710-L838 HydrophobicContact CG1-CD2 4.03Å; V710-L838 HydrophobicContact CG2-CD2 4.02Å; V710-F842 HydrophobicContact CB-CE1 4.35Å; V710-F842 HydrophobicContact CG1-CD1 4.17Å; V710-F842 HydrophobicContact CG1-CE1 3.96Å
711A95.9Very high94.3Very high0 Ų015 Ų150%08%0.075CC..Hα-helixtrans-61.3-46.4178.900000111.4V669 V673 L692 N707 A708 T709 G713 K714 I715V669-A711 HydrophobicContact CG1-CB 3.82Å; V673-A711 HydrophobicContact CG2-CB 3.93Å; L692-A711 HydrophobicContact CD1-CB 4.29Å; L692-A711 HydrophobicContact CD2-CB 4.14Å; N707-A711 WeakPolarHBondContact O-CB 3.47Å; N707-A711 PolarHBondContact O-N 3.03Å; A708-A711 PolarHBondContact O-N 2.94Å; T709-A711 PolarHBondContact O-N 2.78Å; A711-G713 VanDerWaalsContact C-N 3.31Å; A711-G713 PolarHBondContact O-N 3.29Å; A711-K714 PolarHBondContact O-N 2.99Å; A711-K714 VanDerWaalsContact O-N 3.14Å; A711-I715 WeakPolarHBondContact O-CG1 3.49Å; A711-I715 WeakPolarHBondContact O-CG2 3.41Å; A711-I715 PolarHBondContact O-N 3.23Å
712I96.6Very high94Very high0 Ų015.3 Ų15.30%08%0.079CC..Hα-helixtrans-58.5-43.9175.9-64.7170.9000110.5L692 V693 L696 A708 T709 K714 I715 A716 L728 T731 F732L692-I712 HydrophobicContact CB-CD1 3.9Å; L692-I712 HydrophobicContact CB-CG1 3.7Å; L692-I712 HydrophobicContact CD1-CG1 3.95Å; L692-I712 HydrophobicContact CG-CG1 4.45Å; V693-I712 HydrophobicContact CG2-CD1 3.99Å; L696-I712 HydrophobicContact CD2-CD1 4.33Å; A708-I712 VanDerWaalsContact O-CG1 3.29Å; A708-I712 WeakPolarHBondContact O-CG1 3.4Å; A708-I712 PolarHBondContact O-N 2.86Å; T709-I712 PolarHBondContact O-N 3.11Å; I712-K714 PolarHBondContact O-N 2.84Å; I712-I715 PolarHBondContact O-N 3.32Å; I712-A716 PolarHBondContact O-N 3.32Å; I712-L728 HydrophobicContact CG2-CD2 3.65Å; I712-T731 HydrophobicContact CD1-CG2 3.74Å; I712-F732 HydrophobicContact CB-CE1 3.97Å; I712-F732 HydrophobicContact CB-CZ 4.36Å; I712-F732 HydrophobicContact CG2-CE1 3.65Å; I712-F732 HydrophobicContact CG2-CZ 3.75Å
713G93.5Very high93.9Very high2 Ų214.9 Ų14.92%0.0217%0.074CC..Hα-helixtrans-59.3-44.4174.600000113.2T709 V710 A711 A716T709-G713 PolarHBondContact O-N 2.83Å; V710-G713 PolarHBondContact O-N 2.77Å; A711-G713 VanDerWaalsContact C-N 3.31Å; A711-G713 PolarHBondContact O-N 3.29Å; G713-A716 WeakPolarHBondContact O-CB 3.44Å; G713-A716 PolarHBondContact O-N 3.42Å
714K92.1Very high93.8Very high37 Ų3714.8 Ų14.816%0.1617%0.073CC..Hα-helixtrans-67.8-37.2179.9-73-175.3-177.5-174.90113.4V673 V710 A711 I712 A716 L838 T839 F842V673-K714 HydrophobicContact CG1-CB 3.84Å; V673-K714 HydrophobicContact CG1-CD 3.77Å; V673-K714 HydrophobicContact CG1-CG 4.45Å; V673-K714 HydrophobicContact CG2-CB 4.12Å; V673-K714 HydrophobicContact CG2-CD 4.07Å; V710-K714 HydrophobicContact CG1-CD 4.26Å; V710-K714 HydrophobicContact CG1-CG 4.42Å; V710-K714 WeakPolarHBondContact O-CG 3.25Å; V710-K714 PolarHBondContact O-N 2.99Å; A711-K714 PolarHBondContact O-N 2.99Å; A711-K714 VanDerWaalsContact O-N 3.14Å; I712-K714 PolarHBondContact O-N 2.84Å; K714-A716 VanDerWaalsContact C-N 3.35Å; K714-L838 WeakPolarHBondContact CE-O 3.38Å; K714-L838 PolarHBondContact NZ-O 3.06Å; K714-T839 PolarHBondContact NZ-O 3.44Å; K714-F842 HydrophobicContact CD-CZ 4.3Å
715I93.9Very high93.5Very high1 Ų116.1 Ų16.11%0.0058%0.079CC..Hα-helixtrans-86.6-7.6-178.772.5174.6000113V673 A676 L684 L688 L692 A711 I712 C717 H718 L719V673-I715 HydrophobicContact CG2-CG2 4.26Å; A676-I715 HydrophobicContact CB-CB 3.95Å; A676-I715 HydrophobicContact CB-CG2 3.44Å; A676-I715 VanDerWaalsContact CB-CG2 3.44Å; L684-I715 HydrophobicContact CD1-CD1 4.29Å; L688-I715 HydrophobicContact CD2-CD1 4.01Å; L688-I715 HydrophobicContact CG-CD1 4.37Å; L692-I715 HydrophobicContact CD1-CD1 3.6Å; A711-I715 WeakPolarHBondContact O-CG1 3.49Å; A711-I715 WeakPolarHBondContact O-CG2 3.41Å; A711-I715 PolarHBondContact O-N 3.23Å; I712-I715 PolarHBondContact O-N 3.32Å; I715-C717 PolarHBondContact O-N 2.87Å; I715-C717 VanDerWaalsContact O-N 3.1Å; I715-H718 WeakPolarHBondContact O-CB 3.34Å; I715-H718 PolarHBondContact O-N 3.15Å; I715-L719 HydrophobicContact CD1-CD2 4.38Å; I715-L719 PolarHBondContact O-N 2.93Å
716A93.1Very high93.1Very high0 Ų021.4 Ų21.40%010%0.103CC..G310 helixtrans-51.1-39.7-173.900000112.9I712 G713 K714 H718 L719 R724 L728 T754 F757I712-A716 PolarHBondContact O-N 3.32Å; G713-A716 WeakPolarHBondContact O-CB 3.44Å; G713-A716 PolarHBondContact O-N 3.42Å; K714-A716 VanDerWaalsContact C-N 3.35Å; A716-H718 PolarHBondContact O-N 2.86Å; A716-L719 WeakPolarHBondContact O-CB 3.39Å; A716-L719 PolarHBondContact O-N 3.18Å; A716-L719 VanDerWaalsContact O-N 3.14Å; A716-R724 PolarHBondContact O-NE 2.83Å; A716-L728 HydrophobicContact CB-CD1 3.89Å; A716-L728 HydrophobicContact CB-CD2 4.17Å; A716-T754 HydrophobicContact CB-CG2 3.61Å; A716-F757 HydrophobicContact CB-CD2 4.36Å; A716-F757 HydrophobicContact CB-CE2 4.03Å
717C90Very high92.9Very high6 Ų622.4 Ų22.44%0.04111%0.109CC..G310 helixtrans-68.6-11.4179.266.30000115.2I715 R724 F757 S818 L823I715-C717 PolarHBondContact O-N 2.87Å; I715-C717 VanDerWaalsContact O-N 3.1Å; C717-R724 VanDerWaalsContact C-NH2 3.25Å; C717-R724 PolarHBondContact O-NH2 2.92Å; C717-F757 HydrophobicContact CB-CZ 4.35Å; C717-S818 VanDerWaalsContact O-CB 3.24Å; C717-S818 WeakPolarHBondContact O-CB 3.49Å; C717-S818 PolarHBondContact O-OG 3.25Å; C717-L823 HydrophobicContact CB-CD1 3.61Å; C717-L823 HydrophobicContact CB-CG 3.77Å
718H91.3Very high92.8Very high45 Ų4522.4 Ų22.421%0.20811%0.109CC..G310 helixtrans-95.7-21.6174.5-58.1-62.7000112.1L684 I715 A716 S818L684-H718 HydrophobicContact CD2-CB 3.63Å; L684-H718 WeakPolarHBondContact CD2-O 3.45Å; I715-H718 WeakPolarHBondContact O-CB 3.34Å; I715-H718 PolarHBondContact O-N 3.15Å; A716-H718 PolarHBondContact O-N 2.86Å; H718-S818 PolarHBondContact O-OG 3.36Å
719L93.3Very high92.7Very high0 Ų023.4 Ų23.40%011%0.114CC..SBendtrans-65.8151.2-179.3-59.2-179000111.7L684 N685 L689 I715 A716 R724 L728 S818L684-L719 HydrophobicContact CD1-CD2 4.03Å; L684-L719 HydrophobicContact CG-CD2 3.95Å; N685-L719 VanDerWaalsContact OD1-CA 3.28Å; N685-L719 WeakPolarHBondContact OD1-CA 3.49Å; L689-L719 HydrophobicContact CD1-CD1 4.14Å; L689-L719 HydrophobicContact CD2-CD1 4.47Å; I715-L719 HydrophobicContact CD1-CD2 4.38Å; I715-L719 PolarHBondContact O-N 2.93Å; A716-L719 WeakPolarHBondContact O-CB 3.39Å; A716-L719 PolarHBondContact O-N 3.18Å; A716-L719 VanDerWaalsContact O-N 3.14Å; L719-R724 HydrophobicContact CB-CG 3.71Å; L719-R724 PolarHBondContact O-NE 2.66Å; L719-R724 PolarHBondContact O-NH2 3.37Å; L719-L728 HydrophobicContact CD1-CD2 4.07Å; L719-S818 PolarHBondContact O-OG 3.38Å
720H92.9Very high92.5Very high64 Ų6427.2 Ų27.230%0.29614%0.138SC..  trans-66.3140.6172.3-170.5-98.1000110.6Y681 N685 D722 N723 R724Y681-H720 HydrophobicContact CD2-CB 4.45Å; Y681-H720 HydrophobicContact CE2-CB 3.61Å; Y681-H720 AromaticContact CE2-CD2 3.77Å; Y681-H720 AromaticContact CE2-CG 3.68Å; N685-H720 PolarHBondContact OD1-N 2.7Å; H720-D722 VanDerWaalsContact C-N 3.28Å; H720-D722 IonicContact CE1-OD2 3.54Å; H720-D722 PolarHBondContact CE1-OD2 3.45Å; H720-D722 PolarHBondContact ND1-N 3.31Å; H720-D722 IonicContact ND1-OD2 2.77Å; H720-D722 PolarHBondContact ND1-OD2 3.36Å; H720-D722 PolarHBondContact O-N 2.98Å; H720-N723 PolarHBondContact O-N 2.93Å; H720-R724 PolarHBondContact O-N 3.15Å
721P90.1Very high92.5Very high7 Ų727.2 Ų27.25%0.04514%0.138CC..Hα-helixtrans-51.9-41.7-177.6-29.636.3000114.6N723 R724 Q725 M815P721-N723 VanDerWaalsContact C-N 3.31Å; P721-N723 PolarHBondContact O-N 2.88Å; P721-R724 WeakPolarHBondContact O-CB 3.46Å; P721-R724 PolarHBondContact O-N 3.15Å; P721-R724 VanDerWaalsContact O-N 3.15Å; P721-Q725 PolarHBondContact O-N 3.4Å; P721-M815 HydrophobicContact CB-CE 4.26Å; P721-M815 HydrophobicContact CB-SD 4.26Å
722D90Very high92.6Very high71 Ų7127.2 Ų27.238%0.3814%0.138SC..Hα-helixtrans-61.3-39.6178.3-62.1-20.9000112.5H720 K726H720-D722 VanDerWaalsContact C-N 3.28Å; H720-D722 IonicContact CE1-OD2 3.54Å; H720-D722 PolarHBondContact CE1-OD2 3.45Å; H720-D722 PolarHBondContact ND1-N 3.31Å; H720-D722 IonicContact ND1-OD2 2.77Å; H720-D722 PolarHBondContact ND1-OD2 3.36Å; H720-D722 PolarHBondContact O-N 2.98Å; D722-K726 VanDerWaalsContact O-CG 3.26Å; D722-K726 WeakPolarHBondContact O-CG 3.22Å; D722-K726 PolarHBondContact O-N 3.3Å
723N91Very high92.5Very high29 Ų2928 Ų2816%0.15514%0.143CC..Hα-helixtrans-76.2-32.2177.7-74.79.9000111.1N685 H720 P721 K726 V727N685-N723 WeakPolarHBondContact CB-ND2 3.35Å; N685-N723 PolarHBondContact O-ND2 2.93Å; H720-N723 PolarHBondContact O-N 2.93Å; P721-N723 VanDerWaalsContact C-N 3.31Å; P721-N723 PolarHBondContact O-N 2.88Å; N723-K726 PolarHBondContact O-N 3.35Å; N723-V727 VanDerWaalsContact O-CB 3.27Å; N723-V727 WeakPolarHBondContact O-CB 3.49Å; N723-V727 WeakPolarHBondContact O-CG2 3.26Å; N723-V727 PolarHBondContact O-N 3.02Å
724R91.9Very high92.6Very high2 Ų232.4 Ų32.41%0.00816%0.163CC..Iπ-helixtrans-58.1-50.1171.7-67.7-177.5-167.3152.310.9111.1A716 C717 L719 H720 P721 K726 L728 S816 S818A716-R724 PolarHBondContact O-NE 2.83Å; C717-R724 VanDerWaalsContact C-NH2 3.25Å; C717-R724 PolarHBondContact O-NH2 2.92Å; L719-R724 HydrophobicContact CB-CG 3.71Å; L719-R724 PolarHBondContact O-NE 2.66Å; L719-R724 PolarHBondContact O-NH2 3.37Å; H720-R724 PolarHBondContact O-N 3.15Å; P721-R724 WeakPolarHBondContact O-CB 3.46Å; P721-R724 PolarHBondContact O-N 3.15Å; P721-R724 VanDerWaalsContact O-N 3.15Å; R724-K726 PolarHBondContact O-N 3.21Å; R724-L728 HydrophobicContact CB-CD1 3.78Å; R724-L728 HydrophobicContact CB-CG 4.3Å; R724-L728 HydrophobicContact CG-CD1 3.94Å; R724-L728 WeakPolarHBondContact O-CB 3.47Å; R724-L728 WeakPolarHBondContact O-CG 3.33Å; R724-L728 PolarHBondContact O-N 2.9Å; R724-S816 PolarHBondContact NH1-O 3.46Å; R724-S818 PolarHBondContact NH2-OG 2.91Å
725Q90.3Very high92.8Very high28 Ų2830.7 Ų30.713%0.13116%0.156CC..Iπ-helixtrans-59.7-44.8179.9-74-53.3-55.500112.4P721 F757 Q762 M815P721-Q725 PolarHBondContact O-N 3.4Å; Q725-F757 PolarHBondContact NE2-O 2.82Å; Q725-Q762 VanDerWaalsContact OE1-NE2 3.12Å; Q725-M815 HydrophobicContact CG-SD 4.12Å
726K88.1Confident93Very high142 Ų14230.9 Ų30.962%0.61716%0.157SC*.Iπ-helixtrans-73.1-36.7-176.1-70.8172.7-177178.10113.1D722 N723 R724D722-K726 VanDerWaalsContact O-CG 3.26Å; D722-K726 WeakPolarHBondContact O-CG 3.22Å; D722-K726 PolarHBondContact O-N 3.3Å; N723-K726 PolarHBondContact O-N 3.35Å; R724-K726 PolarHBondContact O-N 3.21Å
727V92Very high93.1Very high27 Ų2736.6 Ų36.616%0.16418%0.181CC..Iπ-helixtrans-104-49.7-166.1-1770000112.3L689 V693 N723 L729 T730 T731L689-V727 HydrophobicContact CD1-CG1 4.15Å; L689-V727 HydrophobicContact CD2-CB 4.19Å; L689-V727 HydrophobicContact CD2-CG1 4.07Å; L689-V727 HydrophobicContact CD2-CG2 3.92Å; L689-V727 HydrophobicContact CG-CG1 4.21Å; V693-V727 HydrophobicContact CG2-CG1 3.99Å; N723-V727 VanDerWaalsContact O-CB 3.27Å; N723-V727 WeakPolarHBondContact O-CB 3.49Å; N723-V727 WeakPolarHBondContact O-CG2 3.26Å; N723-V727 PolarHBondContact O-N 3.02Å; V727-L729 PolarHBondContact O-N 3.45Å; V727-T730 PolarHBondContact O-N 3.35Å; V727-T731 VanDerWaalsContact CG1-OG1 3.3Å; V727-T731 WeakPolarHBondContact CG1-OG1 3.21Å; V727-T731 VanDerWaalsContact O-CB 3.23Å; V727-T731 WeakPolarHBondContact O-CB 3.46Å; V727-T731 PolarHBondContact O-N 3.46Å; V727-T731 PolarHBondContact O-OG1 3.42Å
728L94.8Very high93.5Very high0 Ų037 Ų370%018%0.183CC..Iπ-helixtrans-60.4-45.5-166.3-64.2-180000113.3I712 A716 L719 R724 F732 F757 Y758I712-L728 HydrophobicContact CG2-CD2 3.65Å; A716-L728 HydrophobicContact CB-CD1 3.89Å; A716-L728 HydrophobicContact CB-CD2 4.17Å; L719-L728 HydrophobicContact CD1-CD2 4.07Å; R724-L728 HydrophobicContact CB-CD1 3.78Å; R724-L728 HydrophobicContact CB-CG 4.3Å; R724-L728 HydrophobicContact CG-CD1 3.94Å; R724-L728 WeakPolarHBondContact O-CB 3.47Å; R724-L728 WeakPolarHBondContact O-CG 3.33Å; R724-L728 PolarHBondContact O-N 2.9Å; L728-F732 HydrophobicContact CB-CD2 4.37Å; L728-F732 HydrophobicContact CB-CE2 4.02Å; L728-F732 HydrophobicContact CD2-CE2 3.98Å; L728-F732 HydrophobicContact CD2-CZ 3.83Å; L728-F732 HydrophobicContact CG-CE2 4.46Å; L728-F732 WeakPolarHBondContact O-CB 3.21Å; L728-F732 VanDerWaalsContact O-CD2 3.23Å; L728-F732 WeakPolarHBondContact O-CD2 3.46Å; L728-F732 VanDerWaalsContact O-CG 3.31Å; L728-F732 WeakPolarHBondContact O-CG 3.48Å; L728-F732 PolarHBondContact O-N 2.91Å; L728-F757 HydrophobicContact CD1-CB 4.48Å; L728-F757 HydrophobicContact CD1-CD2 4.02Å; L728-Y758 HydrophobicContact CB-CE1 4.13Å
729L93.6Very high93.7Very high22 Ų2240.2 Ų40.212%0.11521%0.208CC..Hα-helixtrans-60.6-54.6-179177.262.9000110.6V727 T731 C733 Y758 Q762 A766 I767V727-L729 PolarHBondContact O-N 3.45Å; L729-T731 PolarHBondContact O-N 3.34Å; L729-C733 VanDerWaalsContact O-CB 3.24Å; L729-C733 WeakPolarHBondContact O-CB 3.42Å; L729-C733 PolarHBondContact O-N 3.13Å; L729-C733 PolarHBondContact O-SG 3.41Å; L729-Y758 HydrophobicContact CB-CD1 4.32Å; L729-Y758 HydrophobicContact CB-CE1 4.01Å; L729-Q762 HydrophobicContact CD2-CB 3.93Å; L729-Q762 HydrophobicContact CD2-CG 3.91Å; L729-A766 HydrophobicContact CD1-CB 4.15Å; L729-A766 HydrophobicContact CD2-CB 4.09Å; L729-A766 HydrophobicContact CG-CB 4.49Å; L729-I767 HydrophobicContact CD1-CD1 4Å; L729-I767 HydrophobicContact CD1-CG1 3.48Å; L729-I767 VanDerWaalsContact CD1-CG1 3.48Å
730T93.7Very high93.8Very high80 Ų8042.4 Ų42.449%0.49122%0.218SC..Hα-helixtrans-59.8-47-179-52.10000111V727 C733 Q734V727-T730 PolarHBondContact O-N 3.35Å; T730-C733 PolarHBondContact O-N 3.03Å; T730-Q734 WeakPolarHBondContact O-CB 3.48Å; T730-Q734 PolarHBondContact O-N 2.97Å
731T95.6Very high94Very high9 Ų941.1 Ų41.16%0.05522%0.215CC..Hα-helixtrans-64.8-45.3-177.4-61.60000112.5V693 L696 I712 V727 L729 Q734 A735V693-T731 HydrophobicContact CG2-CG2 4.25Å; L696-T731 HydrophobicContact CD2-CG2 3.29Å; I712-T731 HydrophobicContact CD1-CG2 3.74Å; V727-T731 VanDerWaalsContact CG1-OG1 3.3Å; V727-T731 WeakPolarHBondContact CG1-OG1 3.21Å; V727-T731 VanDerWaalsContact O-CB 3.23Å; V727-T731 WeakPolarHBondContact O-CB 3.46Å; V727-T731 PolarHBondContact O-N 3.46Å; V727-T731 PolarHBondContact O-OG1 3.42Å; L729-T731 PolarHBondContact O-N 3.34Å; T731-Q734 WeakPolarHBondContact O-CB 3.41Å; T731-Q734 PolarHBondContact O-N 3Å; T731-A735 PolarHBondContact O-N 3.47Å
732F96.9Very high94.2Very high0 Ų041.9 Ų41.90%022%0.22CC..Hα-helixtrans-77-30.9179.7-57.1-35.6000113.1T709 I712 L728 Q734 A735 M736 A750 V751 T754 Y758T709-F732 HydrophobicContact CG2-CD1 4.04Å; T709-F732 HydrophobicContact CG2-CE1 4.36Å; I712-F732 HydrophobicContact CB-CE1 3.97Å; I712-F732 HydrophobicContact CB-CZ 4.36Å; I712-F732 HydrophobicContact CG2-CE1 3.65Å; I712-F732 HydrophobicContact CG2-CZ 3.75Å; L728-F732 HydrophobicContact CB-CD2 4.37Å; L728-F732 HydrophobicContact CB-CE2 4.02Å; L728-F732 HydrophobicContact CD2-CE2 3.98Å; L728-F732 HydrophobicContact CD2-CZ 3.83Å; L728-F732 HydrophobicContact CG-CE2 4.46Å; L728-F732 WeakPolarHBondContact O-CB 3.21Å; L728-F732 VanDerWaalsContact O-CD2 3.23Å; L728-F732 WeakPolarHBondContact O-CD2 3.46Å; L728-F732 VanDerWaalsContact O-CG 3.31Å; L728-F732 WeakPolarHBondContact O-CG 3.48Å; L728-F732 PolarHBondContact O-N 2.91Å; F732-Q734 PolarHBondContact O-N 3.36Å; F732-A735 PolarHBondContact O-N 3.01Å; F732-M736 WeakPolarHBondContact O-CG 3.2Å; F732-M736 PolarHBondContact O-N 3.01Å; F732-A750 HydrophobicContact CD1-CB 3.63Å; F732-A750 HydrophobicContact CD2-CB 3.89Å; F732-A750 HydrophobicContact CE1-CB 3.49Å; F732-A750 VanDerWaalsContact CE1-CB 3.49Å; F732-A750 HydrophobicContact CE2-CB 3.78Å; F732-A750 HydrophobicContact CG-CB 3.85Å; F732-A750 HydrophobicContact CZ-CB 3.59Å; F732-V751 HydrophobicContact CB-CG2 3.29Å; F732-V751 HydrophobicContact CD2-CG2 3.74Å; F732-V751 HydrophobicContact CG-CG2 3.94Å; F732-T754 HydrophobicContact CE2-CG2 4.29Å; F732-Y758 VanDerWaalsContact CD2-OH 3.22Å; F732-Y758 WeakPolarHBondContact CD2-OH 3.17Å; F732-Y758 WeakPolarHBondContact CE2-OH 3.15Å
733C95.4Very high94.5Very high15 Ų1538.5 Ų38.510%0.10120%0.202CC..Hα-helixtrans-62.1-33.7168.3-74.70000112L729 T730 M736L729-C733 VanDerWaalsContact O-CB 3.24Å; L729-C733 WeakPolarHBondContact O-CB 3.42Å; L729-C733 PolarHBondContact O-N 3.13Å; L729-C733 PolarHBondContact O-SG 3.41Å; T730-C733 PolarHBondContact O-N 3.03Å; C733-M736 HydrophobicContact CB-CE 4.27Å
734Q94.9Very high94.9Very high96 Ų9638.5 Ų38.545%0.44920%0.199SC..Hα-helixtrans-68.9-44.6171.8-171.658.926.900111.7T730 T731 F732 M736 K737 D738T730-Q734 WeakPolarHBondContact O-CB 3.48Å; T730-Q734 PolarHBondContact O-N 2.97Å; T731-Q734 WeakPolarHBondContact O-CB 3.41Å; T731-Q734 PolarHBondContact O-N 3Å; F732-Q734 PolarHBondContact O-N 3.36Å; Q734-M736 PolarHBondContact O-N 3.32Å; Q734-K737 WeakPolarHBondContact O-CB 3.42Å; Q734-K737 PolarHBondContact O-N 3.44Å; Q734-D738 PolarHBondContact O-N 3.18Å
735A96.9Very high95Very high1 Ų138.9 Ų38.91%0.00820%0.202CC..Hα-helixtrans-58.4-35.9175.300000112.6L696 T709 T731 F732 K737 D738 T743 R744L696-A735 HydrophobicContact CD1-CB 4.09Å; L696-A735 HydrophobicContact CD2-CB 4.28Å; T709-A735 HydrophobicContact CG2-CB 3.68Å; T731-A735 PolarHBondContact O-N 3.47Å; F732-A735 PolarHBondContact O-N 3.01Å; A735-K737 PolarHBondContact O-N 3.5Å; A735-D738 VanDerWaalsContact O-CB 3.32Å; A735-D738 WeakPolarHBondContact O-CB 3.46Å; A735-D738 PolarHBondContact O-N 3.05Å; A735-D738 VanDerWaalsContact O-N 3.13Å; A735-T743 HydrophobicContact CB-CG2 4.2Å; A735-R744 WeakPolarHBondContact O-CA 3.49Å
736M97.6Very high95.3Very high5 Ų537.8 Ų37.83%0.02520%0.198CC..THydrogen-bonded Turntrans-63-18.4173.9-81.2-170.1-75.300113.8F732 C733 Q734 R744 I748 V751 L771 L774F732-M736 WeakPolarHBondContact O-CG 3.2Å; F732-M736 PolarHBondContact O-N 3.01Å; C733-M736 HydrophobicContact CB-CE 4.27Å; Q734-M736 PolarHBondContact O-N 3.32Å; M736-R744 VanDerWaalsContact O-CD 3.23Å; M736-R744 WeakPolarHBondContact O-CD 3.25Å; M736-R744 WeakPolarHBondContact O-CG 3.49Å; M736-I748 HydrophobicContact CG-CG1 4.1Å; M736-I748 HydrophobicContact SD-CG1 4.05Å; M736-V751 HydrophobicContact CE-CG2 3.89Å; M736-L771 HydrophobicContact SD-CD2 3.86Å; M736-L771 HydrophobicContact SD-CG 4.45Å; M736-L774 HydrophobicContact CB-CD1 3.81Å; M736-L774 HydrophobicContact CG-CD1 3.79Å; M736-L774 WeakPolarHBondContact O-CD2 3.37Å; M736-L774 HydrophobicContact SD-CD1 4.06Å
737K96Very high95.7Very high119 Ų11931 Ų3152%0.51717%0.168SC..THydrogen-bonded Turntrans-99-0.3176.3-60.4172.3-172.6175.30113.3Q734 A735Q734-K737 WeakPolarHBondContact O-CB 3.42Å; Q734-K737 PolarHBondContact O-N 3.44Å; A735-K737 PolarHBondContact O-N 3.5Å
738D97.3Very high95.9Very high15 Ų1529.7 Ų29.78%0.0816%0.16CC..  trans-61.3141.4-175.3-166-76.2000111.2R705 Q734 A735 F740 T743 R744R705-D738 IonicContact CZ-OD1 3.27Å; R705-D738 IonicContact CZ-OD2 3.87Å; R705-D738 IonicContact NE-OD1 2.63Å; R705-D738 IonicContact NE-OD2 3.61Å; R705-D738 PolarHBondContact NE-OD2 2.81Å; R705-D738 IonicContact NH2-OD1 3.7Å; R705-D738 PolarHBondContact NH2-OD1 3.28Å; R705-D738 IonicContact NH2-OD2 3.61Å; Q734-D738 PolarHBondContact O-N 3.18Å; A735-D738 VanDerWaalsContact O-CB 3.32Å; A735-D738 WeakPolarHBondContact O-CB 3.46Å; A735-D738 PolarHBondContact O-N 3.05Å; A735-D738 VanDerWaalsContact O-N 3.13Å; D738-F740 PolarHBondContact O-N 3.14Å; D738-F740 WeakPolarHBondContact OD1-CA 3.27Å; D738-F740 WeakPolarHBondContact OD1-CB 3.35Å; D738-F740 PolarHBondContact OD1-N 3.13Å; D738-T743 HydrophobicContact CB-CG2 3.53Å; D738-R744 HydrophobicContact CB-CG 4.39Å; D738-R744 WeakPolarHBondContact O-CD 3.2Å; D738-R744 WeakPolarHBondContact O-CG 3.5Å; D738-R744 PolarHBondContact O-NH1 2.93Å
739P95.9Very high95.9Very high112 Ų11230.2 Ų30.273%0.72716%0.163SC*.SBendtrans-58.7-28.1175.8-25.634.6000113.6P741 R744P739-P741 WeakPolarHBondContact O-CD 3.46Å; P739-R744 VanDerWaalsContact C-NH1 3.27Å; P739-R744 PolarHBondContact O-NH1 3.17Å
740F95.9Very high95.9Very high47 Ų4729.1 Ų29.121%0.20616%0.157CC..SBendtrans-87.9116.8-176.5-168.3-127.5000111.6P702 D738 P742 T743 R744 W965P702-F740 HydrophobicContact CB-CB 3.72Å; P702-F740 HydrophobicContact CB-CD1 3.36Å; P702-F740 HydrophobicContact CB-CD2 3.94Å; P702-F740 HydrophobicContact CB-CE1 3.86Å; P702-F740 HydrophobicContact CB-CE2 4.39Å; P702-F740 HydrophobicContact CB-CG 3.4Å; P702-F740 VanDerWaalsContact CB-CG 3.4Å; P702-F740 HydrophobicContact CB-CZ 4.34Å; P702-F740 HydrophobicContact CG-CG 4.38Å; D738-F740 PolarHBondContact O-N 3.14Å; D738-F740 WeakPolarHBondContact OD1-CA 3.27Å; D738-F740 WeakPolarHBondContact OD1-CB 3.35Å; D738-F740 PolarHBondContact OD1-N 3.13Å; F740-P742 HydrophobicContact CD1-CB 3.95Å; F740-P742 HydrophobicContact CD1-CG 3.96Å; F740-P742 HydrophobicContact CE1-CB 3.64Å; F740-P742 HydrophobicContact CE1-CG 3.48Å; F740-P742 VanDerWaalsContact CE1-CG 3.48Å; F740-P742 HydrophobicContact CE2-CG 4.15Å; F740-P742 HydrophobicContact CG-CG 4.48Å; F740-P742 HydrophobicContact CZ-CB 4.27Å; F740-P742 HydrophobicContact CZ-CG 3.59Å; F740-T743 WeakPolarHBondContact O-CB 3.25Å; F740-T743 PolarHBondContact O-N 2.93Å; F740-R744 PolarHBondContact O-N 3.23Å; F740-W965 AromaticContact CZ-CH2 3.89Å; F740-W965 HydrophobicContact CZ-CH2 3.89Å
741P96.3Very high96Very high37 Ų3725.4 Ų25.424%0.2413%0.134CC..Hα-helixtrans-55.5-40.7-174.6-21.829.4000114.9P739 T743 R744 V745 E779 V782P739-P741 WeakPolarHBondContact O-CD 3.46Å; P741-T743 VanDerWaalsContact C-N 3.28Å; P741-T743 PolarHBondContact O-N 2.95Å; P741-R744 WeakPolarHBondContact O-CB 3.24Å; P741-R744 PolarHBondContact O-N 3.23Å; P741-R744 VanDerWaalsContact O-N 3.07Å; P741-V745 WeakPolarHBondContact O-CG2 3.32Å; P741-V745 PolarHBondContact O-N 3Å; P741-E779 HydrophobicContact CB-CB 4.05Å; P741-E779 HydrophobicContact CB-CG 3.93Å; P741-E779 HydrophobicContact CG-CB 4.36Å; P741-E779 HydrophobicContact CG-CG 4.48Å; P741-V782 HydrophobicContact CB-CG2 3.99Å
742P95.2Very high95.9Very high22 Ų2225 Ų2514%0.14313%0.132CC..Hα-helixtrans-58.7-34.7175.3-28.637.8000114.2T706 F740 V745 A746 W965T706-P742 HydrophobicContact CG2-CB 4.17Å; F740-P742 HydrophobicContact CD1-CB 3.95Å; F740-P742 HydrophobicContact CD1-CG 3.96Å; F740-P742 HydrophobicContact CE1-CB 3.64Å; F740-P742 HydrophobicContact CE1-CG 3.48Å; F740-P742 VanDerWaalsContact CE1-CG 3.48Å; F740-P742 HydrophobicContact CE2-CG 4.15Å; F740-P742 HydrophobicContact CG-CG 4.48Å; F740-P742 HydrophobicContact CZ-CB 4.27Å; F740-P742 HydrophobicContact CZ-CG 3.59Å; P742-V745 PolarHBondContact O-N 3.02Å; P742-A746 WeakPolarHBondContact O-CB 3.26Å; P742-A746 PolarHBondContact O-N 3.49Å; P742-W965 HydrophobicContact CG-CH2 4.25Å; P742-W965 HydrophobicContact CG-CZ3 3.78Å
743T96.3Very high95.6Very high0 Ų025 Ų250%013%0.132CC..Hα-helixtrans-67.8-40.8174.2-54.90000110.9L696 R705 T706 A735 D738 F740 P741 A746 G747L696-T743 HydrophobicContact CD1-CG2 4.02Å; R705-T743 HydrophobicContact CB-CG2 4.38Å; T706-T743 PolarHBondContact N-OG1 3.27Å; T706-T743 PolarHBondContact OG1-N 3.46Å; T706-T743 PolarHBondContact OG1-OG1 3.5Å; A735-T743 HydrophobicContact CB-CG2 4.2Å; D738-T743 HydrophobicContact CB-CG2 3.53Å; F740-T743 WeakPolarHBondContact O-CB 3.25Å; F740-T743 PolarHBondContact O-N 2.93Å; P741-T743 VanDerWaalsContact C-N 3.28Å; P741-T743 PolarHBondContact O-N 2.95Å; T743-A746 WeakPolarHBondContact O-CB 3.24Å; T743-A746 PolarHBondContact O-N 2.98Å; T743-G747 PolarHBondContact O-N 2.75Å
744R97.5Very high95.5Very high29 Ų2924.3 Ų24.311%0.10913%0.127CC..Hα-helixtrans-61.2-46.5174.5-60-161.4-68.9-89.86.5111.8A735 M736 D738 P739 F740 P741 A746 G747 I748 D777 V782A735-R744 WeakPolarHBondContact O-CA 3.49Å; M736-R744 VanDerWaalsContact O-CD 3.23Å; M736-R744 WeakPolarHBondContact O-CD 3.25Å; M736-R744 WeakPolarHBondContact O-CG 3.49Å; D738-R744 HydrophobicContact CB-CG 4.39Å; D738-R744 WeakPolarHBondContact O-CD 3.2Å; D738-R744 WeakPolarHBondContact O-CG 3.5Å; D738-R744 PolarHBondContact O-NH1 2.93Å; P739-R744 VanDerWaalsContact C-NH1 3.27Å; P739-R744 PolarHBondContact O-NH1 3.17Å; F740-R744 PolarHBondContact O-N 3.23Å; P741-R744 WeakPolarHBondContact O-CB 3.24Å; P741-R744 PolarHBondContact O-N 3.23Å; P741-R744 VanDerWaalsContact O-N 3.07Å; R744-A746 VanDerWaalsContact C-N 3.35Å; R744-A746 PolarHBondContact O-N 2.86Å; R744-G747 PolarHBondContact O-N 2.92Å; R744-I748 WeakPolarHBondContact O-CG1 3.48Å; R744-I748 PolarHBondContact O-N 3.18Å; R744-D777 IonicContact CZ-OD1 3.76Å; R744-D777 IonicContact CZ-OD2 3.2Å; R744-D777 IonicContact NE-OD1 2.74Å; R744-D777 IonicContact NE-OD2 2.67Å; R744-D777 PolarHBondContact NE-OD2 2.96Å; R744-D777 IonicContact NH2-OD1 3.77Å; R744-D777 PolarHBondContact NH2-OD1 3.35Å; R744-D777 IonicContact NH2-OD2 2.73Å; R744-D777 PolarHBondContact NH2-OD2 3.3Å; R744-V782 HydrophobicContact CB-CG1 4.3Å; R744-V782 HydrophobicContact CB-CG2 4.29Å
745V95.8Very high95.3Very high11 Ų1120 Ų207%0.06711%0.107CC..Hα-helixtrans-57.3-49.4173.5176.30000110P741 P742 G747 I748 L749 V782P741-V745 WeakPolarHBondContact O-CG2 3.32Å; P741-V745 PolarHBondContact O-N 3Å; P742-V745 PolarHBondContact O-N 3.02Å; V745-G747 VanDerWaalsContact C-N 3.27Å; V745-G747 PolarHBondContact O-N 3.04Å; V745-I748 WeakPolarHBondContact O-CB 3.47Å; V745-I748 PolarHBondContact O-N 3.28Å; V745-I748 VanDerWaalsContact O-N 3.12Å; V745-L749 HydrophobicContact CG1-CD1 4.07Å; V745-L749 HydrophobicContact CG1-CG 4.14Å; V745-L749 VanDerWaalsContact O-CG 3.28Å; V745-L749 WeakPolarHBondContact O-CG 3.31Å; V745-L749 PolarHBondContact O-N 2.87Å; V745-V782 HydrophobicContact CG2-CB 4.44Å; V745-V782 HydrophobicContact CG2-CG2 3.69Å
746A95.1Very high95Very high4 Ų420.1 Ų20.13%0.03311%0.107CC..Hα-helixtrans-57.7-38.817800000112.5T706 T709 V710 P742 T743 R744 L749 A750T706-A746 HydrophobicContact CG2-CB 3.93Å; T709-A746 HydrophobicContact CG2-CB 4.01Å; V710-A746 HydrophobicContact CG2-CB 3.93Å; P742-A746 WeakPolarHBondContact O-CB 3.26Å; P742-A746 PolarHBondContact O-N 3.49Å; T743-A746 WeakPolarHBondContact O-CB 3.24Å; T743-A746 PolarHBondContact O-N 2.98Å; R744-A746 VanDerWaalsContact C-N 3.35Å; R744-A746 PolarHBondContact O-N 2.86Å; A746-L749 PolarHBondContact O-N 3.3Å; A746-A750 WeakPolarHBondContact O-CB 3.38Å; A746-A750 PolarHBondContact O-N 3.38Å
747G96.9Very high94.7Very high0 Ų019.9 Ų19.90%011%0.106CC..Hα-helixtrans-60.5-47.9173.700000112.6T743 R744 V745 L749 A750 V751T743-G747 PolarHBondContact O-N 2.75Å; R744-G747 PolarHBondContact O-N 2.92Å; V745-G747 VanDerWaalsContact C-N 3.27Å; V745-G747 PolarHBondContact O-N 3.04Å; G747-L749 VanDerWaalsContact C-N 3.35Å; G747-L749 PolarHBondContact O-N 3.22Å; G747-A750 PolarHBondContact O-N 2.77Å; G747-V751 WeakPolarHBondContact O-CG2 3.47Å; G747-V751 PolarHBondContact O-N 3.14Å
748I96.7Very high94.5Very high0 Ų014.3 Ų14.30%08%0.082CC..Hα-helixtrans-59.4-46.1176-62.7166.1000110.9M736 R744 V745 S752 L771 L774 V782 Q785 A786 S789M736-I748 HydrophobicContact CG-CG1 4.1Å; M736-I748 HydrophobicContact SD-CG1 4.05Å; R744-I748 WeakPolarHBondContact O-CG1 3.48Å; R744-I748 PolarHBondContact O-N 3.18Å; V745-I748 WeakPolarHBondContact O-CB 3.47Å; V745-I748 PolarHBondContact O-N 3.28Å; V745-I748 VanDerWaalsContact O-N 3.12Å; I748-S752 WeakPolarHBondContact O-CB 3.24Å; I748-S752 PolarHBondContact O-N 2.82Å; I748-S752 PolarHBondContact O-OG 2.84Å; I748-L771 HydrophobicContact CG1-CD2 4.01Å; I748-L771 HydrophobicContact CG2-CD2 4.04Å; I748-L774 HydrophobicContact CD1-CD1 3.71Å; I748-L774 HydrophobicContact CG1-CD1 3.78Å; I748-V782 HydrophobicContact CD1-CG1 4.02Å; I748-Q785 HydrophobicContact CB-CG 4.43Å; I748-Q785 HydrophobicContact CD1-CB 4.14Å; I748-Q785 HydrophobicContact CG2-CB 4Å; I748-Q785 HydrophobicContact CG2-CG 3.74Å; I748-A786 HydrophobicContact CD1-CB 4.12Å; I748-S789 WeakPolarHBondContact CG2-OG 3.24Å
749L94.2Very high94.3Very high10 Ų1019.1 Ų19.15%0.05210%0.099CC..Hα-helixtrans-62.9-44.9179.1-64.6-175000111.9V745 A746 G747 S752 A753 Q785 W833 A834 A837 L838V745-L749 HydrophobicContact CG1-CD1 4.07Å; V745-L749 HydrophobicContact CG1-CG 4.14Å; V745-L749 VanDerWaalsContact O-CG 3.28Å; V745-L749 WeakPolarHBondContact O-CG 3.31Å; V745-L749 PolarHBondContact O-N 2.87Å; A746-L749 PolarHBondContact O-N 3.3Å; G747-L749 VanDerWaalsContact C-N 3.35Å; G747-L749 PolarHBondContact O-N 3.22Å; L749-S752 PolarHBondContact O-N 3.34Å; L749-A753 VanDerWaalsContact O-CB 3.31Å; L749-A753 WeakPolarHBondContact O-CB 3.25Å; L749-A753 PolarHBondContact O-N 3.39Å; L749-Q785 HydrophobicContact CD2-CG 3.79Å; L749-W833 HydrophobicContact CD2-CE3 4.31Å; L749-W833 HydrophobicContact CD2-CH2 3.34Å; L749-W833 HydrophobicContact CD2-CZ3 3.13Å; L749-A834 HydrophobicContact CD2-CB 4.17Å; L749-A837 HydrophobicContact CD1-CB 3.94Å; L749-A837 HydrophobicContact CD2-CB 4.47Å; L749-L838 HydrophobicContact CB-CD2 4Å; L749-L838 HydrophobicContact CB-CG 4.15Å
750A94.7Very high94Very high0 Ų014.2 Ų14.20%07%0.067CC..Hα-helixtrans-60.4-52.3-179.700000110.6T709 F732 A746 G747 S752 A753 T754T709-A750 HydrophobicContact CG2-CB 4.35Å; F732-A750 HydrophobicContact CD1-CB 3.63Å; F732-A750 HydrophobicContact CD2-CB 3.89Å; F732-A750 HydrophobicContact CE1-CB 3.49Å; F732-A750 VanDerWaalsContact CE1-CB 3.49Å; F732-A750 HydrophobicContact CE2-CB 3.78Å; F732-A750 HydrophobicContact CG-CB 3.85Å; F732-A750 HydrophobicContact CZ-CB 3.59Å; A746-A750 WeakPolarHBondContact O-CB 3.38Å; A746-A750 PolarHBondContact O-N 3.38Å; G747-A750 PolarHBondContact O-N 2.77Å; A750-S752 VanDerWaalsContact C-N 3.29Å; A750-S752 PolarHBondContact O-N 2.93Å; A750-A753 PolarHBondContact O-N 3.4Å; A750-T754 PolarHBondContact O-N 2.89Å; A750-T754 PolarHBondContact O-OG1 2.9Å
751V95.4Very high93.9Very high1 Ų119.1 Ų19.11%0.0069%0.09CC..Hα-helixtrans-56.9-42.6176.3174.10000111.9F732 M736 G747 T754 Q755 Y758 I767 F793F732-V751 HydrophobicContact CB-CG2 3.29Å; F732-V751 HydrophobicContact CD2-CG2 3.74Å; F732-V751 HydrophobicContact CG-CG2 3.94Å; M736-V751 HydrophobicContact CE-CG2 3.89Å; G747-V751 WeakPolarHBondContact O-CG2 3.47Å; G747-V751 PolarHBondContact O-N 3.14Å; V751-T754 CarbonylContact O-C 3.53Å; V751-T754 PolarHBondContact O-N 2.89Å; V751-Q755 PolarHBondContact O-N 2.99Å; V751-Q755 VanDerWaalsContact O-N 3.16Å; V751-Y758 HydrophobicContact CG1-CE2 3.95Å; V751-Y758 WeakPolarHBondContact O-CE2 3.24Å; V751-I767 HydrophobicContact CG1-CD1 3.82Å; V751-I767 HydrophobicContact CG1-CG1 4.13Å; V751-I767 HydrophobicContact CG1-CG2 3.69Å; V751-F793 HydrophobicContact CG1-CE2 3.8Å; V751-F793 HydrophobicContact CG1-CZ 3.67Å
752S93.8Very high93.8Very high0 Ų019.2 Ų19.20%09%0.088CC..Hα-helixtrans-67.8-42.5-179.3-58.20000112.1I748 L749 A750 T754 Q755 S789I748-S752 WeakPolarHBondContact O-CB 3.24Å; I748-S752 PolarHBondContact O-N 2.82Å; I748-S752 PolarHBondContact O-OG 2.84Å; L749-S752 PolarHBondContact O-N 3.34Å; A750-S752 VanDerWaalsContact C-N 3.29Å; A750-S752 PolarHBondContact O-N 2.93Å; S752-T754 VanDerWaalsContact C-N 3.29Å; S752-T754 PolarHBondContact O-N 2.99Å; S752-Q755 WeakPolarHBondContact O-CB 3.48Å; S752-Q755 WeakPolarHBondContact O-CG 3.21Å; S752-Q755 PolarHBondContact O-N 3.23Å; S752-S789 VanDerWaalsContact OG-CB 3.26Å; S752-S789 WeakPolarHBondContact OG-CB 3.34Å; S752-S789 PolarHBondContact OG-OG 3.48Å
753A90.3Very high93.8Very high1 Ų118.2 Ų18.21%0.0088%0.081CC..Hα-helixtrans-70.1-26.6178.700000112.8L749 A750 L823 A834 L835 L838L749-A753 VanDerWaalsContact O-CB 3.31Å; L749-A753 WeakPolarHBondContact O-CB 3.25Å; L749-A753 PolarHBondContact O-N 3.39Å; A750-A753 PolarHBondContact O-N 3.4Å; A753-L823 WeakPolarHBondContact O-CD2 3.47Å; A753-A834 HydrophobicContact CB-CB 4.43Å; A753-L835 HydrophobicContact CB-CB 4.36Å; A753-L835 HydrophobicContact CB-CD1 4.35Å; A753-L838 HydrophobicContact CB-CD1 3.29Å; A753-L838 HydrophobicContact CB-CG 4.47Å
754T91.9Very high93.7Very high0 Ų020.2 Ų20.20%010%0.098CC..THydrogen-bonded Turntrans-10018177.858.90000113.1A716 F732 A750 V751 S752 Q756 F757 Y758A716-T754 HydrophobicContact CB-CG2 3.61Å; F732-T754 HydrophobicContact CE2-CG2 4.29Å; A750-T754 PolarHBondContact O-N 2.89Å; A750-T754 PolarHBondContact O-OG1 2.9Å; V751-T754 CarbonylContact O-C 3.53Å; V751-T754 PolarHBondContact O-N 2.89Å; S752-T754 VanDerWaalsContact C-N 3.29Å; S752-T754 PolarHBondContact O-N 2.99Å; T754-Q756 PolarHBondContact O-N 2.85Å; T754-F757 HydrophobicContact CG2-CD2 4.2Å; T754-F757 HydrophobicContact CG2-CE2 4.35Å; T754-F757 WeakPolarHBondContact O-CB 3.44Å; T754-F757 PolarHBondContact O-N 3.04Å; T754-Y758 WeakPolarHBondContact O-CE2 3.47Å; T754-Y758 WeakPolarHBondContact OG1-CE2 3.43Å; T754-Y758 PolarHBondContact OG1-OH 3.46Å
755Q92.1Very high93.7Very high7 Ų723.3 Ų23.33%0.03312%0.123CC..G310 helixtrans-53.2-30.4-171.664.476.225.500114.9V751 S752 F757 Y758 F793 K796 W830 A831V751-Q755 PolarHBondContact O-N 2.99Å; V751-Q755 VanDerWaalsContact O-N 3.16Å; S752-Q755 WeakPolarHBondContact O-CB 3.48Å; S752-Q755 WeakPolarHBondContact O-CG 3.21Å; S752-Q755 PolarHBondContact O-N 3.23Å; Q755-F757 PolarHBondContact O-N 3.09Å; Q755-Y758 PolarHBondContact O-N 3.32Å; Q755-F793 HydrophobicContact CB-CE1 3.72Å; Q755-F793 HydrophobicContact CB-CZ 3.84Å; Q755-K796 PolarHBondContact O-NZ 3.13Å; Q755-W830 HydrophobicContact CB-CH2 4.26Å; Q755-W830 HydrophobicContact CB-CZ2 4.33Å; Q755-W830 HydrophobicContact CG-CH2 4.48Å; Q755-W830 HydrophobicContact CG-CZ2 4.23Å; Q755-A831 HydrophobicContact CG-CB 4.28Å
756Q89.3Confident93.7Very high2 Ų224.1 Ų24.11%0.00913%0.131CC..G310 helixtrans-70-14.9-179.861.7-124.353.900113.5T754 Y758 E813 L822T754-Q756 PolarHBondContact O-N 2.85Å; Q756-Y758 VanDerWaalsContact C-N 3.35Å; Q756-E813 HydrophobicContact CB-CB 4.2Å; Q756-E813 VanDerWaalsContact CB-OE2 3.25Å; Q756-E813 WeakPolarHBondContact CB-OE2 3.23Å; Q756-L822 HydrophobicContact CG-CD2 4.03Å; Q756-L822 VanDerWaalsContact NE2-CD2 3.35Å; Q756-L822 PolarHBondContact NE2-O 2.89Å
757F91.5Very high93.7Very high1 Ų124 Ų240%0.00413%0.129CC..G310 helixtrans-91.58.4-179.9-55.4-38.6000113.2A716 C717 Q725 L728 T754 Q755 L822 L823A716-F757 HydrophobicContact CB-CD2 4.36Å; A716-F757 HydrophobicContact CB-CE2 4.03Å; C717-F757 HydrophobicContact CB-CZ 4.35Å; Q725-F757 PolarHBondContact NE2-O 2.82Å; L728-F757 HydrophobicContact CD1-CB 4.48Å; L728-F757 HydrophobicContact CD1-CD2 4.02Å; T754-F757 HydrophobicContact CG2-CD2 4.2Å; T754-F757 HydrophobicContact CG2-CE2 4.35Å; T754-F757 WeakPolarHBondContact O-CB 3.44Å; T754-F757 PolarHBondContact O-N 3.04Å; Q755-F757 PolarHBondContact O-N 3.09Å; F757-L822 HydrophobicContact CD1-CD2 4.45Å; F757-L822 HydrophobicContact CE1-CD2 3.36Å; F757-L822 HydrophobicContact CZ-CD2 3.78Å; F757-L823 HydrophobicContact CE2-CD2 4.45Å
758Y92.5Very high93.7Very high1 Ų125.2 Ų25.20%0.00414%0.136CC..SBendtrans-116.3135.3179-52.3-62.4000111L728 L729 F732 V751 T754 Q755 Q756 I767L728-Y758 HydrophobicContact CB-CE1 4.13Å; L729-Y758 HydrophobicContact CB-CD1 4.32Å; L729-Y758 HydrophobicContact CB-CE1 4.01Å; F732-Y758 VanDerWaalsContact CD2-OH 3.22Å; F732-Y758 WeakPolarHBondContact CD2-OH 3.17Å; F732-Y758 WeakPolarHBondContact CE2-OH 3.15Å; V751-Y758 HydrophobicContact CG1-CE2 3.95Å; V751-Y758 WeakPolarHBondContact O-CE2 3.24Å; T754-Y758 WeakPolarHBondContact O-CE2 3.47Å; T754-Y758 WeakPolarHBondContact OG1-CE2 3.43Å; T754-Y758 PolarHBondContact OG1-OH 3.46Å; Q755-Y758 PolarHBondContact O-N 3.32Å; Q756-Y758 VanDerWaalsContact C-N 3.35Å; Y758-I767 HydrophobicContact CD1-CD1 4.23Å; Y758-I767 HydrophobicContact CD2-CD1 3.56Å; Y758-I767 HydrophobicContact CE2-CD1 4.09Å; Y758-I767 HydrophobicContact CG-CD1 3.65Å
759R92.9Very high93.8Very high116 Ų11627.8 Ų27.844%0.43815%0.153SC..  trans-64.3148.4166.9-65.2-172.9-176.8155.11.5109.7Q761 Q762 V763 E811 V814R759-Q761 PolarHBondContact O-N 3.11Å; R759-Q762 HydrophobicContact CB-CG 4.33Å; R759-Q762 WeakPolarHBondContact O-CA 3.46Å; R759-Q762 WeakPolarHBondContact O-CB 3.26Å; R759-Q762 PolarHBondContact O-N 3.38Å; R759-V763 PolarHBondContact O-N 3.09Å; R759-E811 VanDerWaalsContact CA-OE1 3.28Å; R759-E811 WeakPolarHBondContact CA-OE1 3.34Å; R759-E811 WeakPolarHBondContact CB-OE1 3.49Å; R759-V814 HydrophobicContact CG-CG1 3.95Å
760L90.9Very high93.9Very high10 Ų1027.9 Ų27.95%0.05215%0.154CC..Hα-helixtrans-62.9-30.6-179.5-82.2153.7000112.2Q762 V763 A764 K796 L797 V800 L807 M810 E811L760-Q762 VanDerWaalsContact C-N 3.34Å; L760-Q762 PolarHBondContact O-N 3.19Å; L760-V763 WeakPolarHBondContact O-CB 3.32Å; L760-V763 PolarHBondContact O-N 3.24Å; L760-A764 PolarHBondContact O-N 2.68Å; L760-K796 HydrophobicContact CD2-CB 4.41Å; L760-K796 HydrophobicContact CD2-CD 4.17Å; L760-K796 HydrophobicContact CD2-CG 4.01Å; L760-L797 HydrophobicContact CB-CD2 4.19Å; L760-L797 HydrophobicContact CD2-CD2 3.57Å; L760-L797 HydrophobicContact CD2-CG 4.04Å; L760-V800 HydrophobicContact CD1-CB 4.33Å; L760-V800 HydrophobicContact CD1-CG1 4.46Å; L760-V800 HydrophobicContact CD1-CG2 3.63Å; L760-L807 HydrophobicContact CB-CD1 4.27Å; L760-L807 HydrophobicContact CD1-CD1 3.4Å; L760-L807 VanDerWaalsContact CD1-CD1 3.4Å; L760-L807 HydrophobicContact CG-CD1 4.42Å; L760-M810 HydrophobicContact CD1-CB 4.32Å; L760-M810 HydrophobicContact CD1-SD 4.44Å; L760-E811 HydrophobicContact CD1-CG 4.45Å; L760-E811 PolarHBondContact N-OE1 3.5Å
761Q93Very high94Very high149 Ų14927.9 Ų27.970%0.69615%0.154SC*.Hα-helixtrans-61.4-41171.2-169.417512.800112.2R759 V763 A764 C765R759-Q761 PolarHBondContact O-N 3.11Å; Q761-V763 VanDerWaalsContact C-N 3.32Å; Q761-A764 PolarHBondContact O-N 3.3Å; Q761-C765 VanDerWaalsContact O-CB 3.27Å; Q761-C765 WeakPolarHBondContact O-CB 3.49Å; Q761-C765 PolarHBondContact O-N 2.92Å; Q761-C765 PolarHBondContact O-SG 2.93Å; Q761-C765 VanDerWaalsContact O-SG 3.4Å
762Q94.6Very high94.1Very high40 Ų4030.7 Ų30.719%0.18717%0.174CC..Hα-helixtrans-67.6-35.3175.3-66166.5-37.100111.3Q725 L729 R759 L760 A766 I767Q725-Q762 VanDerWaalsContact OE1-NE2 3.12Å; L729-Q762 HydrophobicContact CD2-CB 3.93Å; L729-Q762 HydrophobicContact CD2-CG 3.91Å; R759-Q762 HydrophobicContact CB-CG 4.33Å; R759-Q762 WeakPolarHBondContact O-CA 3.46Å; R759-Q762 WeakPolarHBondContact O-CB 3.26Å; R759-Q762 PolarHBondContact O-N 3.38Å; L760-Q762 VanDerWaalsContact C-N 3.34Å; L760-Q762 PolarHBondContact O-N 3.19Å; Q762-A766 WeakPolarHBondContact O-CA 3.3Å; Q762-A766 WeakPolarHBondContact O-CB 3.35Å; Q762-A766 PolarHBondContact O-N 3.13Å; Q762-I767 PolarHBondContact O-N 3.29Å
763V94.7Very high94.2Very high0 Ų037.3 Ų37.30%020%0.199CC..Iπ-helixtrans-59.4-51.5174.7176.50000110.5R759 L760 Q761 I767 L768 F793 L797R759-V763 PolarHBondContact O-N 3.09Å; L760-V763 WeakPolarHBondContact O-CB 3.32Å; L760-V763 PolarHBondContact O-N 3.24Å; Q761-V763 VanDerWaalsContact C-N 3.32Å; V763-I767 HydrophobicContact CG2-CD1 4.13Å; V763-I767 PolarHBondContact O-N 2.8Å; V763-L768 HydrophobicContact CG1-CD1 4.43Å; V763-L768 HydrophobicContact CG1-CG 4.37Å; V763-L768 WeakPolarHBondContact O-CB 3.46Å; V763-L768 PolarHBondContact O-N 3.47Å; V763-F793 HydrophobicContact CB-CD1 4.36Å; V763-F793 HydrophobicContact CG1-CB 3.69Å; V763-F793 HydrophobicContact CG1-CD1 3.49Å; V763-F793 VanDerWaalsContact CG1-CD1 3.49Å; V763-F793 HydrophobicContact CG1-CE1 4.4Å; V763-F793 HydrophobicContact CG1-CG 3.85Å; V763-F793 HydrophobicContact CG2-CD1 3.89Å; V763-F793 HydrophobicContact CG2-CE1 4.08Å; V763-L797 HydrophobicContact CG1-CD1 4.16Å; V763-L797 HydrophobicContact CG1-CG 4.37Å
764A95Very high94.6Very high43 Ų4337.9 Ų37.936%0.35520%0.201SC..Iπ-helixtrans-70.2-42.2-177.800000113.2L760 Q761 P769 L797L760-A764 PolarHBondContact O-N 2.68Å; Q761-A764 PolarHBondContact O-N 3.3Å; A764-P769 WeakPolarHBondContact O-CD 3.5Å; A764-P769 WeakPolarHBondContact O-CG 3.47Å; A764-L797 HydrophobicContact CB-CD1 4.15Å; A764-L797 HydrophobicContact CB-CD2 4.24Å
765C96.2Very high94.8Very high93 Ų9340 Ų4063%0.62821%0.212SC*.Iπ-helixtrans-93.4-19.1-169.9-60.80000114.5Q761Q761-C765 VanDerWaalsContact O-CB 3.27Å; Q761-C765 WeakPolarHBondContact O-CB 3.49Å; Q761-C765 PolarHBondContact O-N 2.92Å; Q761-C765 PolarHBondContact O-SG 2.93Å; Q761-C765 VanDerWaalsContact O-SG 3.4Å
766A95.4Very high95Very high29 Ų2945.6 Ų45.624%0.2425%0.246CC..Iπ-helixtrans-127.5-49.1-176.200000113.4L729 Q762 S770L729-A766 HydrophobicContact CD1-CB 4.15Å; L729-A766 HydrophobicContact CD2-CB 4.09Å; L729-A766 HydrophobicContact CG-CB 4.49Å; Q762-A766 WeakPolarHBondContact O-CA 3.3Å; Q762-A766 WeakPolarHBondContact O-CB 3.35Å; Q762-A766 PolarHBondContact O-N 3.13Å; A766-S770 WeakPolarHBondContact O-CB 3.37Å; A766-S770 PolarHBondContact O-N 3.41Å; A766-S770 VanDerWaalsContact O-N 3.13Å; A766-S770 PolarHBondContact O-OG 3.01Å
767I96.6Very high95.4Very high0 Ų046.1 Ų46.10%025%0.249CC..Iπ-helixtrans-70.8-55.7-175.1-63.1173.4000111L729 V751 Y758 Q762 V763 S770 L771 F793L729-I767 HydrophobicContact CD1-CD1 4Å; L729-I767 HydrophobicContact CD1-CG1 3.48Å; L729-I767 VanDerWaalsContact CD1-CG1 3.48Å; V751-I767 HydrophobicContact CG1-CD1 3.82Å; V751-I767 HydrophobicContact CG1-CG1 4.13Å; V751-I767 HydrophobicContact CG1-CG2 3.69Å; Y758-I767 HydrophobicContact CD1-CD1 4.23Å; Y758-I767 HydrophobicContact CD2-CD1 3.56Å; Y758-I767 HydrophobicContact CE2-CD1 4.09Å; Y758-I767 HydrophobicContact CG-CD1 3.65Å; Q762-I767 PolarHBondContact O-N 3.29Å; V763-I767 HydrophobicContact CG2-CD1 4.13Å; V763-I767 PolarHBondContact O-N 2.8Å; I767-S770 WeakPolarHBondContact O-CB 3.25Å; I767-S770 PolarHBondContact O-N 2.95Å; I767-L771 HydrophobicContact CG2-CD1 3.74Å; I767-L771 HydrophobicContact CG2-CG 4.25Å; I767-L771 WeakPolarHBondContact O-CG 3.35Å; I767-L771 PolarHBondContact O-N 3.27Å; I767-F793 HydrophobicContact CD1-CE1 4.38Å; I767-F793 HydrophobicContact CD1-CZ 4.4Å; I767-F793 HydrophobicContact CG2-CD2 3.89Å; I767-F793 HydrophobicContact CG2-CE2 3.79Å; I767-F793 HydrophobicContact CG2-CG 4.38Å; I767-F793 HydrophobicContact CG2-CZ 4.18Å
768L97.2Very high95.7Very high27 Ų2751.9 Ų51.914%0.14129%0.286CS..Hα-helixtrans-60.6-43-179.5-76.7175.8000112.8V763 S770 L771 S772 A790 F793 L794 L797V763-L768 HydrophobicContact CG1-CD1 4.43Å; V763-L768 HydrophobicContact CG1-CG 4.37Å; V763-L768 WeakPolarHBondContact O-CB 3.46Å; V763-L768 PolarHBondContact O-N 3.47Å; L768-S770 VanDerWaalsContact C-N 3.26Å; L768-S770 PolarHBondContact O-N 3.38Å; L768-L771 HydrophobicContact CD2-CD1 4.49Å; L768-L771 PolarHBondContact O-N 3.45Å; L768-S772 WeakPolarHBondContact O-CB 3.49Å; L768-S772 PolarHBondContact O-N 3.2Å; L768-S772 PolarHBondContact O-OG 2.88Å; L768-A790 HydrophobicContact CD2-CB 3.97Å; L768-F793 HydrophobicContact CD2-CB 3.93Å; L768-F793 HydrophobicContact CG-CB 4.32Å; L768-L794 HydrophobicContact CD1-CD2 3.77Å; L768-L794 HydrophobicContact CD1-CG 4.18Å; L768-L794 HydrophobicContact CD2-CG 4.16Å; L768-L797 HydrophobicContact CD1-CD1 3.47Å; L768-L797 VanDerWaalsContact CD1-CD1 3.47Å
769P97.2Very high95.8Very high54 Ų5455.6 Ų55.635%0.35130%0.304SS..Hα-helixtrans-62.2-30.4172.4-28.538.3000113.9A764 S772A764-P769 WeakPolarHBondContact O-CD 3.5Å; A764-P769 WeakPolarHBondContact O-CG 3.47Å; P769-S772 PolarHBondContact O-OG 2.81Å
770S96.7Very high96Very high11 Ų1155.8 Ų55.88%0.07731%0.308CS..Hα-helixtrans-74.2-41174.3-62.70000111.8A766 I767 L768 R773A766-S770 WeakPolarHBondContact O-CB 3.37Å; A766-S770 PolarHBondContact O-N 3.41Å; A766-S770 VanDerWaalsContact O-N 3.13Å; A766-S770 PolarHBondContact O-OG 3.01Å; I767-S770 WeakPolarHBondContact O-CB 3.25Å; I767-S770 PolarHBondContact O-N 2.95Å; L768-S770 VanDerWaalsContact C-N 3.26Å; L768-S770 PolarHBondContact O-N 3.38Å; S770-R773 PolarHBondContact OG-NH2 2.97Å
771L97.6Very high96Very high1 Ų158.2 Ų58.21%0.00532%0.319CS..Hα-helixtrans-67.5-37.6176.5-69.9172.6000112.6M736 I748 I767 L768 R773 L774 M775 A790 F793M736-L771 HydrophobicContact SD-CD2 3.86Å; M736-L771 HydrophobicContact SD-CG 4.45Å; I748-L771 HydrophobicContact CG1-CD2 4.01Å; I748-L771 HydrophobicContact CG2-CD2 4.04Å; I767-L771 HydrophobicContact CG2-CD1 3.74Å; I767-L771 HydrophobicContact CG2-CG 4.25Å; I767-L771 WeakPolarHBondContact O-CG 3.35Å; I767-L771 PolarHBondContact O-N 3.27Å; L768-L771 HydrophobicContact CD2-CD1 4.49Å; L768-L771 PolarHBondContact O-N 3.45Å; L771-R773 VanDerWaalsContact C-N 3.28Å; L771-R773 PolarHBondContact O-N 2.98Å; L771-L774 WeakPolarHBondContact O-CA 3.42Å; L771-L774 PolarHBondContact O-N 2.71Å; L771-M775 PolarHBondContact O-N 2.79Å; L771-A790 HydrophobicContact CB-CB 4.34Å; L771-A790 HydrophobicContact CD1-CB 4.19Å; L771-F793 HydrophobicContact CD1-CD2 3.87Å; L771-F793 HydrophobicContact CD1-CE2 4.33Å
772S97.1Very high96.2Very high60 Ų6051.1 Ų51.142%0.4229%0.286SS..Hα-helixtrans-60.7-38-179.4660000112L768 P769 L774 M775L768-S772 WeakPolarHBondContact O-CB 3.49Å; L768-S772 PolarHBondContact O-N 3.2Å; L768-S772 PolarHBondContact O-OG 2.88Å; P769-S772 PolarHBondContact O-OG 2.81Å; S772-L774 VanDerWaalsContact C-N 3.26Å; S772-L774 PolarHBondContact O-N 2.83Å; S772-M775 WeakPolarHBondContact O-CB 3.27Å; S772-M775 PolarHBondContact O-N 2.98Å
773R96.3Very high96.4Very high139 Ų13953 Ų5353%0.52529%0.291SS..Hα-helixtrans-60.8-35.2172.8-67.9-174.6-69.2-148.8-5.7112.6S770 L771 M775 V776S770-R773 PolarHBondContact OG-NH2 2.97Å; L771-R773 VanDerWaalsContact C-N 3.28Å; L771-R773 PolarHBondContact O-N 2.98Å; R773-M775 VanDerWaalsContact C-N 3.32Å; R773-V776 VanDerWaalsContact O-CG2 3.25Å; R773-V776 WeakPolarHBondContact O-CG2 3.38Å
774L97.3Very high96.4Very high12 Ų1257.1 Ų57.16%0.06331%0.311CS..Hα-helixtrans-80.2-11.1-180-63.3-175.5000113.8M736 I748 L771 S772 V776 D777 V782 A786M736-L774 HydrophobicContact CB-CD1 3.81Å; M736-L774 HydrophobicContact CG-CD1 3.79Å; M736-L774 WeakPolarHBondContact O-CD2 3.37Å; M736-L774 HydrophobicContact SD-CD1 4.06Å; I748-L774 HydrophobicContact CD1-CD1 3.71Å; I748-L774 HydrophobicContact CG1-CD1 3.78Å; L771-L774 WeakPolarHBondContact O-CA 3.42Å; L771-L774 PolarHBondContact O-N 2.71Å; S772-L774 VanDerWaalsContact C-N 3.26Å; S772-L774 PolarHBondContact O-N 2.83Å; L774-V776 PolarHBondContact O-N 3.37Å; L774-D777 VanDerWaalsContact O-CB 3.24Å; L774-D777 WeakPolarHBondContact O-CB 3.32Å; L774-D777 PolarHBondContact O-N 3.06Å; L774-V782 HydrophobicContact CB-CG1 4.06Å; L774-V782 HydrophobicContact CD1-CG1 4.28Å; L774-V782 HydrophobicContact CD2-CG1 4.12Å; L774-V782 HydrophobicContact CG-CG1 4.39Å; L774-A786 HydrophobicContact CB-CB 3.71Å
775M97.4Very high96.4Very high46 Ų4656.4 Ų56.423%0.22730%0.3CS..THydrogen-bonded Turntrans-68.1-17.9173.7-66.8178.8-179.900113.1L771 S772 R773 R783 A786 F787 A790L771-M775 PolarHBondContact O-N 2.79Å; S772-M775 WeakPolarHBondContact O-CB 3.27Å; S772-M775 PolarHBondContact O-N 2.98Å; R773-M775 VanDerWaalsContact C-N 3.32Å; M775-R783 WeakPolarHBondContact O-CD 3.5Å; M775-R783 WeakPolarHBondContact O-CG 3.2Å; M775-A786 HydrophobicContact CG-CB 4.25Å; M775-F787 HydrophobicContact CB-CE1 4.04Å; M775-F787 HydrophobicContact CB-CE2 3.9Å; M775-F787 HydrophobicContact CB-CZ 3.65Å; M775-F787 HydrophobicContact CE-CD1 4.01Å; M775-F787 HydrophobicContact CE-CE1 4.31Å; M775-F787 HydrophobicContact CG-CD1 3.98Å; M775-F787 HydrophobicContact CG-CD2 4.36Å; M775-F787 HydrophobicContact CG-CE1 3.81Å; M775-F787 HydrophobicContact CG-CE2 4.18Å; M775-F787 HydrophobicContact CG-CG 4.26Å; M775-F787 HydrophobicContact CG-CZ 3.91Å; M775-F787 HydrophobicContact SD-CD1 3.81Å; M775-F787 HydrophobicContact SD-CE1 3.51Å; M775-F787 VanDerWaalsContact SD-CE1 3.51Å; M775-F787 HydrophobicContact SD-CZ 4.12Å; M775-A790 HydrophobicContact CE-CB 3.15Å
776V96.6Very high96.4Very high123 Ų12352 Ų5275%0.74527%0.27SS*.THydrogen-bonded Turntrans-111.315.3174.8-63.10000112.1R773 L774R773-V776 VanDerWaalsContact O-CG2 3.25Å; R773-V776 WeakPolarHBondContact O-CG2 3.38Å; L774-V776 PolarHBondContact O-N 3.37Å
777D97.8Very high96.5Very high13 Ų1355.1 Ų55.17%0.0728%0.278CS..  trans-57.8144.1177.3-166.1-82.6000111.2R744 L774 E779 V782 R783R744-D777 IonicContact CZ-OD1 3.76Å; R744-D777 IonicContact CZ-OD2 3.2Å; R744-D777 IonicContact NE-OD1 2.74Å; R744-D777 IonicContact NE-OD2 2.67Å; R744-D777 PolarHBondContact NE-OD2 2.96Å; R744-D777 IonicContact NH2-OD1 3.77Å; R744-D777 PolarHBondContact NH2-OD1 3.35Å; R744-D777 IonicContact NH2-OD2 2.73Å; R744-D777 PolarHBondContact NH2-OD2 3.3Å; L774-D777 VanDerWaalsContact O-CB 3.24Å; L774-D777 WeakPolarHBondContact O-CB 3.32Å; L774-D777 PolarHBondContact O-N 3.06Å; D777-E779 PolarHBondContact O-N 2.83Å; D777-E779 WeakPolarHBondContact OD1-CB 3.33Å; D777-E779 PolarHBondContact OD1-N 2.94Å; D777-V782 HydrophobicContact CB-CB 3.94Å; D777-V782 HydrophobicContact CB-CG1 3.65Å; D777-V782 VanDerWaalsContact CG-CG1 3.5Å; D777-R783 HydrophobicContact CB-CG 4.02Å; D777-R783 WeakPolarHBondContact O-CD 3.47Å; D777-R783 WeakPolarHBondContact O-CG 3.38Å; D777-R783 PolarHBondContact O-NH1 3.31Å
778P96.1Very high96.4Very high122 Ų12260.2 Ų60.279%0.79230%0.298SS*.SBendtrans-58.1-33.1176.8-2634.8000113.7R783P778-R783 PolarHBondContact O-NH1 3.24Å
779E96Very high96.3Very high79 Ų7958.9 Ų58.937%0.36929%0.291SS..SBendtrans-86.4127.4-175.4-174.549.8-114.300111.9P741 D777 Q781 V782 R783P741-E779 HydrophobicContact CB-CB 4.05Å; P741-E779 HydrophobicContact CB-CG 3.93Å; P741-E779 HydrophobicContact CG-CB 4.36Å; P741-E779 HydrophobicContact CG-CG 4.48Å; D777-E779 PolarHBondContact O-N 2.83Å; D777-E779 WeakPolarHBondContact OD1-CB 3.33Å; D777-E779 PolarHBondContact OD1-N 2.94Å; E779-Q781 VanDerWaalsContact C-N 3.32Å; E779-Q781 HydrophobicContact CG-CB 4.43Å; E779-Q781 PolarHBondContact O-N 3.45Å; E779-V782 HydrophobicContact CB-CB 4.31Å; E779-V782 HydrophobicContact CB-CG2 3.87Å; E779-V782 HydrophobicContact CG-CG2 4.11Å; E779-V782 PolarHBondContact O-N 3.04Å; E779-R783 PolarHBondContact O-N 2.84Å
780K95.5Very high96.3Very high121 Ų12156.4 Ų56.453%0.52628%0.275SS..Hα-helixtrans-60.9-42.7-175.7178.7175-178.8-89.40111.5V782 R783 E784K780-V782 VanDerWaalsContact C-N 3.28Å; K780-V782 PolarHBondContact O-N 3.19Å; K780-R783 PolarHBondContact O-N 2.72Å; K780-E784 WeakPolarHBondContact CE-OE1 3.23Å; K780-E784 HydrophobicContact CG-CG 4.32Å; K780-E784 IonicContact NZ-OE1 3.32Å; K780-E784 PolarHBondContact NZ-OE1 3.15Å; K780-E784 WeakPolarHBondContact O-CG 3.24Å; K780-E784 PolarHBondContact O-N 3.45Å
781Q92.2Very high96.2Very high61 Ų6162.1 Ų62.129%0.28530%0.298SS..Hα-helixtrans-63.9-34.4-178.8-64.1-174.24.100112.4E779 Q785E779-Q781 VanDerWaalsContact C-N 3.32Å; E779-Q781 HydrophobicContact CG-CB 4.43Å; E779-Q781 PolarHBondContact O-N 3.45Å; Q781-Q785 PolarHBondContact O-N 3.26Å
782V96.9Very high96Very high0 Ų062.1 Ų62.10%030%0.299CS..Hα-helixtrans-67-49.2175.8178.70000109.7P741 R744 V745 I748 L774 D777 E779 K780 E784 Q785 A786P741-V782 HydrophobicContact CB-CG2 3.99Å; R744-V782 HydrophobicContact CB-CG1 4.3Å; R744-V782 HydrophobicContact CB-CG2 4.29Å; V745-V782 HydrophobicContact CG2-CB 4.44Å; V745-V782 HydrophobicContact CG2-CG2 3.69Å; I748-V782 HydrophobicContact CD1-CG1 4.02Å; L774-V782 HydrophobicContact CB-CG1 4.06Å; L774-V782 HydrophobicContact CD1-CG1 4.28Å; L774-V782 HydrophobicContact CD2-CG1 4.12Å; L774-V782 HydrophobicContact CG-CG1 4.39Å; D777-V782 HydrophobicContact CB-CB 3.94Å; D777-V782 HydrophobicContact CB-CG1 3.65Å; D777-V782 VanDerWaalsContact CG-CG1 3.5Å; E779-V782 HydrophobicContact CB-CB 4.31Å; E779-V782 HydrophobicContact CB-CG2 3.87Å; E779-V782 HydrophobicContact CG-CG2 4.11Å; E779-V782 PolarHBondContact O-N 3.04Å; K780-V782 VanDerWaalsContact C-N 3.28Å; K780-V782 PolarHBondContact O-N 3.19Å; V782-E784 PolarHBondContact O-N 2.94Å; V782-Q785 PolarHBondContact O-N 2.87Å; V782-A786 WeakPolarHBondContact O-CB 3.4Å; V782-A786 PolarHBondContact O-N 2.95Å
783R97.9Very high96Very high78 Ų7859.3 Ų59.329%0.29428%0.279SS..Hα-helixtrans-58.2-49.2177.9-63.7-165.8-60.1-82.44.6112M775 D777 P778 E779 K780 Q785 A786 F787M775-R783 WeakPolarHBondContact O-CD 3.5Å; M775-R783 WeakPolarHBondContact O-CG 3.2Å; D777-R783 HydrophobicContact CB-CG 4.02Å; D777-R783 WeakPolarHBondContact O-CD 3.47Å; D777-R783 WeakPolarHBondContact O-CG 3.38Å; D777-R783 PolarHBondContact O-NH1 3.31Å; P778-R783 PolarHBondContact O-NH1 3.24Å; E779-R783 PolarHBondContact O-N 2.84Å; K780-R783 PolarHBondContact O-N 2.72Å; R783-Q785 PolarHBondContact O-N 3.08Å; R783-A786 PolarHBondContact O-N 3.27Å; R783-F787 WeakPolarHBondContact O-CD2 3.4Å; R783-F787 PolarHBondContact O-N 3.13Å
784E95.7Very high95.9Very high88 Ų8856.3 Ų56.341%0.41127%0.273SS..Hα-helixtrans-54.3-44.9178.9-78.3175.7173.500111.2K780 V782 R788K780-E784 WeakPolarHBondContact CE-OE1 3.23Å; K780-E784 HydrophobicContact CG-CG 4.32Å; K780-E784 IonicContact NZ-OE1 3.32Å; K780-E784 PolarHBondContact NZ-OE1 3.15Å; K780-E784 WeakPolarHBondContact O-CG 3.24Å; K780-E784 PolarHBondContact O-N 3.45Å; V782-E784 PolarHBondContact O-N 2.94Å; E784-R788 VanDerWaalsContact O-CG 3.27Å; E784-R788 WeakPolarHBondContact O-CG 3.3Å; E784-R788 PolarHBondContact O-N 3.48Å; E784-R788 VanDerWaalsContact O-N 3.09Å
785Q94.5Very high95.7Very high28 Ų2859.9 Ų59.913%0.13129%0.289CS..Hα-helixtrans-73.4-35.5180-144.571.2-76.800113.8I748 L749 Q781 V782 R783 R788 S789 W833I748-Q785 HydrophobicContact CB-CG 4.43Å; I748-Q785 HydrophobicContact CD1-CB 4.14Å; I748-Q785 HydrophobicContact CG2-CB 4Å; I748-Q785 HydrophobicContact CG2-CG 3.74Å; L749-Q785 HydrophobicContact CD2-CG 3.79Å; Q781-Q785 PolarHBondContact O-N 3.26Å; V782-Q785 PolarHBondContact O-N 2.87Å; R783-Q785 PolarHBondContact O-N 3.08Å; Q785-R788 PolarHBondContact O-N 3.01Å; Q785-S789 WeakPolarHBondContact O-CB 3.3Å; Q785-S789 PolarHBondContact O-N 2.8Å; Q785-S789 PolarHBondContact O-OG 3.06Å; Q785-W833 HydrophobicContact CG-CH2 3.49Å; Q785-W833 VanDerWaalsContact CG-CH2 3.49Å; Q785-W833 HydrophobicContact CG-CZ2 4.41Å; Q785-W833 HydrophobicContact CG-CZ3 4.08Å; Q785-W833 VanDerWaalsContact NE2-CH2 3.33Å; Q785-W833 VanDerWaalsContact OE1-CZ3 3.31Å
786A97.1Very high95.3Very high0 Ų058.6 Ų58.60%028%0.282CS..Hα-helixtrans-61.6-48175.100000110.7I748 L774 M775 V782 R783 R788 S789 A790I748-A786 HydrophobicContact CD1-CB 4.12Å; L774-A786 HydrophobicContact CB-CB 3.71Å; M775-A786 HydrophobicContact CG-CB 4.25Å; V782-A786 WeakPolarHBondContact O-CB 3.4Å; V782-A786 PolarHBondContact O-N 2.95Å; R783-A786 PolarHBondContact O-N 3.27Å; A786-R788 PolarHBondContact O-N 3.27Å; A786-S789 PolarHBondContact O-N 3.44Å; A786-A790 VanDerWaalsContact O-CB 3.23Å; A786-A790 WeakPolarHBondContact O-CB 3.33Å; A786-A790 PolarHBondContact O-N 2.91Å
787F97.4Very high95.1Very high95 Ų9554.9 Ų54.942%0.41726%0.258SS..Hα-helixtrans-60.7-45.9176.3-82-66.2000112.6M775 R783 S789 K791M775-F787 HydrophobicContact CB-CE1 4.04Å; M775-F787 HydrophobicContact CB-CE2 3.9Å; M775-F787 HydrophobicContact CB-CZ 3.65Å; M775-F787 HydrophobicContact CE-CD1 4.01Å; M775-F787 HydrophobicContact CE-CE1 4.31Å; M775-F787 HydrophobicContact CG-CD1 3.98Å; M775-F787 HydrophobicContact CG-CD2 4.36Å; M775-F787 HydrophobicContact CG-CE1 3.81Å; M775-F787 HydrophobicContact CG-CE2 4.18Å; M775-F787 HydrophobicContact CG-CG 4.26Å; M775-F787 HydrophobicContact CG-CZ 3.91Å; M775-F787 HydrophobicContact SD-CD1 3.81Å; M775-F787 HydrophobicContact SD-CE1 3.51Å; M775-F787 VanDerWaalsContact SD-CE1 3.51Å; M775-F787 HydrophobicContact SD-CZ 4.12Å; R783-F787 WeakPolarHBondContact O-CD2 3.4Å; R783-F787 PolarHBondContact O-N 3.13Å; F787-S789 VanDerWaalsContact C-N 3.35Å; F787-S789 PolarHBondContact O-N 3.41Å; F787-K791 WeakPolarHBondContact O-CG 3.1Å; F787-K791 PolarHBondContact O-N 2.9Å; F787-K791 VanDerWaalsContact O-N 3.07Å
788R94.1Very high94.9Very high106 Ų10659.6 Ų59.640%0.428%0.279SS..Hα-helixtrans-62.6-42.9179.7-72.2177.176.8-136.13.9111.9E784 Q785 A786 G792 W833E784-R788 VanDerWaalsContact O-CG 3.27Å; E784-R788 WeakPolarHBondContact O-CG 3.3Å; E784-R788 PolarHBondContact O-N 3.48Å; E784-R788 VanDerWaalsContact O-N 3.09Å; Q785-R788 PolarHBondContact O-N 3.01Å; A786-R788 PolarHBondContact O-N 3.27Å; R788-G792 PolarHBondContact O-N 3.46Å; R788-W833 HydrophobicContact CB-CZ2 4.4Å; R788-W833 VanDerWaalsContact CZ-CE2 3.5Å; R788-W833 VanDerWaalsContact NH2-CG 3.31Å
789S95.5Very high94.6Very high0 Ų059.3 Ų59.30%027%0.266CS..Hα-helixtrans-71.3-42.4-179.2-51.20000111.7I748 S752 Q785 A786 F787 K791 G792 F793I748-S789 WeakPolarHBondContact CG2-OG 3.24Å; S752-S789 VanDerWaalsContact OG-CB 3.26Å; S752-S789 WeakPolarHBondContact OG-CB 3.34Å; S752-S789 PolarHBondContact OG-OG 3.48Å; Q785-S789 WeakPolarHBondContact O-CB 3.3Å; Q785-S789 PolarHBondContact O-N 2.8Å; Q785-S789 PolarHBondContact O-OG 3.06Å; A786-S789 PolarHBondContact O-N 3.44Å; F787-S789 VanDerWaalsContact C-N 3.35Å; F787-S789 PolarHBondContact O-N 3.41Å; S789-K791 PolarHBondContact O-N 2.83Å; S789-G792 PolarHBondContact O-N 3.27Å; S789-F793 WeakPolarHBondContact O-CD2 3.3Å; S789-F793 PolarHBondContact O-N 3.44Å
790A96.4Very high94.3Very high2 Ų256.6 Ų56.62%0.01725%0.254CS..Hα-helixtrans-62.6-41178.400000112.2L768 L771 M775 A786 G792 F793 L794L768-A790 HydrophobicContact CD2-CB 3.97Å; L771-A790 HydrophobicContact CB-CB 4.34Å; L771-A790 HydrophobicContact CD1-CB 4.19Å; M775-A790 HydrophobicContact CE-CB 3.15Å; A786-A790 VanDerWaalsContact O-CB 3.23Å; A786-A790 WeakPolarHBondContact O-CB 3.33Å; A786-A790 PolarHBondContact O-N 2.91Å; A790-G792 VanDerWaalsContact C-N 3.35Å; A790-G792 PolarHBondContact O-N 2.83Å; A790-F793 PolarHBondContact O-N 3.19Å; A790-L794 WeakPolarHBondContact O-CB 3.23Å; A790-L794 VanDerWaalsContact O-CG 3.3Å; A790-L794 WeakPolarHBondContact O-CG 3.42Å; A790-L794 PolarHBondContact O-N 2.73Å
791K95.7Very high94.1Very high131 Ų13155.6 Ų55.657%0.5726%0.263SS*.Hα-helixtrans-57.2-48.1173.4-75.5178.1179.3-173.40111.6F787 S789 F793 L794 E795F787-K791 WeakPolarHBondContact O-CG 3.1Å; F787-K791 PolarHBondContact O-N 2.9Å; F787-K791 VanDerWaalsContact O-N 3.07Å; S789-K791 PolarHBondContact O-N 2.83Å; K791-F793 VanDerWaalsContact C-N 3.34Å; K791-F793 PolarHBondContact O-N 3.07Å; K791-L794 PolarHBondContact O-N 3.04Å; K791-E795 WeakPolarHBondContact O-CG 3.43Å; K791-E795 PolarHBondContact O-N 3.33Å
792G93.2Very high94.1Very high1 Ų160.6 Ų60.61%0.0129%0.286CS..Hα-helixtrans-62.6-37.4178.500000114.4R788 S789 A790 K796 W830R788-G792 PolarHBondContact O-N 3.46Å; S789-G792 PolarHBondContact O-N 3.27Å; A790-G792 VanDerWaalsContact C-N 3.35Å; A790-G792 PolarHBondContact O-N 2.83Å; G792-K796 PolarHBondContact O-N 2.93Å; G792-W830 VanDerWaalsContact C-CZ2 3.49Å; G792-W830 VanDerWaalsContact CA-CE2 3.45Å; G792-W830 PolarHBondContact O-NE1 3.26Å
793F96.1Very high93.8Very high0 Ų064.2 Ų64.20%031%0.305CS..Hα-helixtrans-71.8-36.5174.3-79.9-62.7000113V751 Q755 V763 I767 L768 L771 S789 A790 K791 K796 L797 W830V751-F793 HydrophobicContact CG1-CE2 3.8Å; V751-F793 HydrophobicContact CG1-CZ 3.67Å; Q755-F793 HydrophobicContact CB-CE1 3.72Å; Q755-F793 HydrophobicContact CB-CZ 3.84Å; V763-F793 HydrophobicContact CB-CD1 4.36Å; V763-F793 HydrophobicContact CG1-CB 3.69Å; V763-F793 HydrophobicContact CG1-CD1 3.49Å; V763-F793 VanDerWaalsContact CG1-CD1 3.49Å; V763-F793 HydrophobicContact CG1-CE1 4.4Å; V763-F793 HydrophobicContact CG1-CG 3.85Å; V763-F793 HydrophobicContact CG2-CD1 3.89Å; V763-F793 HydrophobicContact CG2-CE1 4.08Å; I767-F793 HydrophobicContact CD1-CE1 4.38Å; I767-F793 HydrophobicContact CD1-CZ 4.4Å; I767-F793 HydrophobicContact CG2-CD2 3.89Å; I767-F793 HydrophobicContact CG2-CE2 3.79Å; I767-F793 HydrophobicContact CG2-CG 4.38Å; I767-F793 HydrophobicContact CG2-CZ 4.18Å; L768-F793 HydrophobicContact CD2-CB 3.93Å; L768-F793 HydrophobicContact CG-CB 4.32Å; L771-F793 HydrophobicContact CD1-CD2 3.87Å; L771-F793 HydrophobicContact CD1-CE2 4.33Å; S789-F793 WeakPolarHBondContact O-CD2 3.3Å; S789-F793 PolarHBondContact O-N 3.44Å; A790-F793 PolarHBondContact O-N 3.19Å; K791-F793 VanDerWaalsContact C-N 3.34Å; K791-F793 PolarHBondContact O-N 3.07Å; F793-K796 WeakPolarHBondContact O-CB 3.36Å; F793-K796 PolarHBondContact O-N 3.13Å; F793-L797 PolarHBondContact O-N 2.68Å; F793-W830 HydrophobicContact CD1-CH2 4.23Å; F793-W830 HydrophobicContact CD1-CZ2 4.48Å; F793-W830 AromaticContact CD2-CH2 3.97Å; F793-W830 HydrophobicContact CD2-CH2 3.97Å; F793-W830 HydrophobicContact CE1-CH2 4.16Å; F793-W830 AromaticContact CE2-CH2 3.86Å; F793-W830 HydrophobicContact CE2-CH2 3.86Å; F793-W830 HydrophobicContact CE2-CZ3 4.44Å; F793-W830 HydrophobicContact CG-CH2 4.14Å; F793-W830 AromaticContact CZ-CH2 3.96Å; F793-W830 HydrophobicContact CZ-CH2 3.96Å
794L95.1Very high93.3Very high76 Ų7664.7 Ų64.740%0.39832%0.319SS..Hα-helixtrans-64-46.4173.4-76.2167.7000111.3L768 A790 K791 K796 L797 E798L768-L794 HydrophobicContact CD1-CD2 3.77Å; L768-L794 HydrophobicContact CD1-CG 4.18Å; L768-L794 HydrophobicContact CD2-CG 4.16Å; A790-L794 WeakPolarHBondContact O-CB 3.23Å; A790-L794 VanDerWaalsContact O-CG 3.3Å; A790-L794 WeakPolarHBondContact O-CG 3.42Å; A790-L794 PolarHBondContact O-N 2.73Å; K791-L794 PolarHBondContact O-N 3.04Å; L794-K796 PolarHBondContact O-N 3.37Å; L794-K796 VanDerWaalsContact O-N 3.14Å; L794-L797 WeakPolarHBondContact O-CB 3.43Å; L794-L797 PolarHBondContact O-N 3.24Å; L794-E798 WeakPolarHBondContact O-CG 3.4Å; L794-E798 PolarHBondContact O-N 2.82Å
795E92.3Very high92.8Very high88 Ų8867.3 Ų67.341%0.41134%0.336SS..Hα-helixtrans-55-34.1174.6-74.8173.4-163.300112K791 K799K791-E795 WeakPolarHBondContact O-CG 3.43Å; K791-E795 PolarHBondContact O-N 3.33Å; E795-K799 VanDerWaalsContact O-CG 3.29Å; E795-K799 WeakPolarHBondContact O-CG 3.22Å; E795-K799 PolarHBondContact O-N 3.4Å; E795-K799 VanDerWaalsContact O-N 3.12Å
796K88.9Confident92.3Very high19 Ų1966.5 Ų66.58%0.08333%0.334CS..Hα-helixtrans-69.5-41.7176.7-159.1-178.2178.4174.80111.8Q755 L760 G792 F793 L794 V800 M810Q755-K796 PolarHBondContact O-NZ 3.13Å; L760-K796 HydrophobicContact CD2-CB 4.41Å; L760-K796 HydrophobicContact CD2-CD 4.17Å; L760-K796 HydrophobicContact CD2-CG 4.01Å; G792-K796 PolarHBondContact O-N 2.93Å; F793-K796 WeakPolarHBondContact O-CB 3.36Å; F793-K796 PolarHBondContact O-N 3.13Å; L794-K796 PolarHBondContact O-N 3.37Å; L794-K796 VanDerWaalsContact O-N 3.14Å; K796-V800 PolarHBondContact O-N 3.49Å; K796-M810 HydrophobicContact CD-SD 4.4Å; K796-M810 HydrophobicContact CG-CE 4.47Å; K796-M810 HydrophobicContact CG-SD 3.58Å; K796-M810 VanDerWaalsContact CG-SD 3.58Å
797L92.8Very high91.8Very high45 Ų4569.9 Ų69.924%0.23635%0.351CS..Hα-helixtrans-68.5-41.2175.8-71.6166.1000111.7L760 V763 A764 L768 F793 L794 V800 S801L760-L797 HydrophobicContact CB-CD2 4.19Å; L760-L797 HydrophobicContact CD2-CD2 3.57Å; L760-L797 HydrophobicContact CD2-CG 4.04Å; V763-L797 HydrophobicContact CG1-CD1 4.16Å; V763-L797 HydrophobicContact CG1-CG 4.37Å; A764-L797 HydrophobicContact CB-CD1 4.15Å; A764-L797 HydrophobicContact CB-CD2 4.24Å; L768-L797 HydrophobicContact CD1-CD1 3.47Å; L768-L797 VanDerWaalsContact CD1-CD1 3.47Å; F793-L797 PolarHBondContact O-N 2.68Å; L794-L797 WeakPolarHBondContact O-CB 3.43Å; L794-L797 PolarHBondContact O-N 3.24Å; L797-V800 PolarHBondContact O-N 3.3Å; L797-S801 PolarHBondContact O-N 3.23Å
798E93.6Very high91.1Very high111 Ų11169 Ų6952%0.51936%0.361SS..Hα-helixtrans-60-46.2177.5-74.3173.1176.400111.3L794 V800 S801 E802L794-E798 WeakPolarHBondContact O-CG 3.4Å; L794-E798 PolarHBondContact O-N 2.82Å; E798-V800 VanDerWaalsContact C-N 3.28Å; E798-V800 PolarHBondContact O-N 3.21Å; E798-S801 CarbonylContact O-C 3.53Å; E798-S801 WeakPolarHBondContact O-CA 3.41Å; E798-S801 WeakPolarHBondContact O-CB 3.28Å; E798-S801 PolarHBondContact O-N 2.6Å; E798-E802 WeakPolarHBondContact O-CG 3.4Å; E798-E802 PolarHBondContact O-N 3.47Å
799K89.1Confident90.6Very high117 Ų11771.3 Ų71.351%0.50938%0.377SS..Hα-helixtrans-56.7-39.4176.3-78.3175.5-177-178.50113.5E795 N803 M810E795-K799 VanDerWaalsContact O-CG 3.29Å; E795-K799 WeakPolarHBondContact O-CG 3.22Å; E795-K799 PolarHBondContact O-N 3.4Å; E795-K799 VanDerWaalsContact O-N 3.12Å; K799-N803 PolarHBondContact O-N 2.69Å; K799-M810 HydrophobicContact CB-CE 3.58Å; K799-M810 HydrophobicContact CD-CE 3.87Å; K799-M810 HydrophobicContact CG-CE 4.38Å
800V89.8Confident89.8Confident21 Ų2173.5 Ų73.513%0.12739%0.388CS..Hα-helixtrans-77.6-29.8176.8176.30000111.6L760 K796 L797 E798 E802 N803 P804 L807 M810L760-V800 HydrophobicContact CD1-CB 4.33Å; L760-V800 HydrophobicContact CD1-CG1 4.46Å; L760-V800 HydrophobicContact CD1-CG2 3.63Å; K796-V800 PolarHBondContact O-N 3.49Å; L797-V800 PolarHBondContact O-N 3.3Å; E798-V800 VanDerWaalsContact C-N 3.28Å; E798-V800 PolarHBondContact O-N 3.21Å; V800-E802 VanDerWaalsContact C-N 3.33Å; V800-N803 CarbonylContact O-C 3.58Å; V800-N803 PolarHBondContact O-N 2.73Å; V800-P804 VanDerWaalsContact O-CA 3.3Å; V800-P804 WeakPolarHBondContact O-CA 3.49Å; V800-P804 VanDerWaalsContact O-N 3.09Å; V800-L807 HydrophobicContact CG1-CB 3.83Å; V800-L807 HydrophobicContact CG1-CD1 4.26Å; V800-M810 HydrophobicContact CG2-CE 4.08Å; V800-M810 HydrophobicContact CG2-CG 4.31Å; V800-M810 HydrophobicContact CG2-SD 3.56Å; V800-M810 VanDerWaalsContact CG2-SD 3.56Å
801S91.1Very high89.4Confident101 Ų10175.9 Ų75.971%0.70640%0.399SS*.Hα-helixtrans-65.8-36.8171.2-1720000112.3L797 E798L797-S801 PolarHBondContact O-N 3.23Å; E798-S801 CarbonylContact O-C 3.53Å; E798-S801 WeakPolarHBondContact O-CA 3.41Å; E798-S801 WeakPolarHBondContact O-CB 3.28Å; E798-S801 PolarHBondContact O-N 2.6Å
802E92.3Very high88.8Confident165 Ų16573 Ų7377%0.77140%0.399SS*.Hα-helixtrans-73.5-36.1175.3-70.9179.2171.500111.9E798 V800E798-E802 WeakPolarHBondContact O-CG 3.4Å; E798-E802 PolarHBondContact O-N 3.47Å; V800-E802 VanDerWaalsContact C-N 3.33Å
803N90.2Very high88.2Confident76 Ų7675 Ų7541%0.40641%0.408SS..  trans-135.792.3178.3-177.49.1000111.4K799 V800 D805 A806K799-N803 PolarHBondContact O-N 2.69Å; V800-N803 CarbonylContact O-C 3.58Å; V800-N803 PolarHBondContact O-N 2.73Å; N803-D805 PolarHBondContact O-N 2.95Å; N803-D805 WeakPolarHBondContact OD1-CB 3.37Å; N803-D805 PolarHBondContact OD1-N 2.9Å; N803-A806 HydrophobicContact CB-CB 4.29Å; N803-A806 VanDerWaalsContact O-CB 3.23Å; N803-A806 WeakPolarHBondContact O-CB 3.42Å; N803-A806 PolarHBondContact O-N 3.49Å
804P87.3Confident87.7Confident89 Ų8975.1 Ų75.158%0.57841%0.409SS*.THydrogen-bonded Turntrans-58.3-29.1179.7-27.736.3000114.2V800 A806 L807V800-P804 VanDerWaalsContact O-CA 3.3Å; V800-P804 WeakPolarHBondContact O-CA 3.49Å; V800-P804 VanDerWaalsContact O-N 3.09Å; P804-A806 PolarHBondContact O-N 3.4Å; P804-L807 VanDerWaalsContact O-CB 3.25Å; P804-L807 WeakPolarHBondContact O-CB 3.48Å; P804-L807 PolarHBondContact O-N 3.28Å; P804-L807 VanDerWaalsContact O-N 3.11Å
805D85.5Confident87.2Confident143 Ų14375.7 Ų75.777%0.76541%0.411SS*.THydrogen-bonded Turntrans-67.1-21.4178.6-63-33.7000112.1N803 L807N803-D805 PolarHBondContact O-N 2.95Å; N803-D805 WeakPolarHBondContact OD1-CB 3.37Å; N803-D805 PolarHBondContact OD1-N 2.9Å; D805-L807 PolarHBondContact O-N 2.84Å
806A84.2Confident86.6Confident11 Ų1172.8 Ų72.89%0.09140%0.4CS..Hα-helixtrans-69.8-13.8174.900000113.2N803 P804 A808 E809 M810N803-A806 HydrophobicContact CB-CB 4.29Å; N803-A806 VanDerWaalsContact O-CB 3.23Å; N803-A806 WeakPolarHBondContact O-CB 3.42Å; N803-A806 PolarHBondContact O-N 3.49Å; P804-A806 PolarHBondContact O-N 3.4Å; A806-A808 PolarHBondContact O-N 3.32Å; A806-E809 PolarHBondContact O-N 3.05Å; A806-M810 WeakPolarHBondContact O-CB 3.48Å; A806-M810 WeakPolarHBondContact O-CG 3.38Å; A806-M810 PolarHBondContact O-N 2.84Å
807L86.6Confident85.5Confident70 Ų7076.6 Ų76.637%0.36643%0.429SS..Hα-helixtrans-57.3-48.5179.2177.759.3000111.6L760 V800 P804 D805 E809 M810 E811L760-L807 HydrophobicContact CB-CD1 4.27Å; L760-L807 HydrophobicContact CD1-CD1 3.4Å; L760-L807 VanDerWaalsContact CD1-CD1 3.4Å; L760-L807 HydrophobicContact CG-CD1 4.42Å; V800-L807 HydrophobicContact CG1-CB 3.83Å; V800-L807 HydrophobicContact CG1-CD1 4.26Å; P804-L807 VanDerWaalsContact O-CB 3.25Å; P804-L807 WeakPolarHBondContact O-CB 3.48Å; P804-L807 PolarHBondContact O-N 3.28Å; P804-L807 VanDerWaalsContact O-N 3.11Å; D805-L807 PolarHBondContact O-N 2.84Å; L807-E809 VanDerWaalsContact C-N 3.31Å; L807-E809 PolarHBondContact O-N 3.38Å; L807-M810 PolarHBondContact O-N 3.2Å; L807-E811 HydrophobicContact CD1-CG 3.95Å; L807-E811 WeakPolarHBondContact O-CB 3.43Å; L807-E811 PolarHBondContact O-N 2.93Å
808A84.2Confident83.8Confident76 Ų7676.8 Ų76.863%0.62843%0.434SS*.Hα-helixtrans-63.9-38.7-178.600000111.7A806 A812A806-A808 PolarHBondContact O-N 3.32Å; A808-A812 WeakPolarHBondContact O-CB 3.23Å; A808-A812 PolarHBondContact O-N 3.46Å
809E82.2Confident81.9Confident156 Ų15677.1 Ų77.173%0.72944%0.439SS*.Hα-helixtrans-66.1-46.2175.6-173.9-177.3176.600111.4A806 L807 E811 A812A806-E809 PolarHBondContact O-N 3.05Å; L807-E809 VanDerWaalsContact C-N 3.31Å; L807-E809 PolarHBondContact O-N 3.38Å; E809-E811 VanDerWaalsContact C-N 3.34Å; E809-E811 PolarHBondContact O-N 3.12Å; E809-A812 WeakPolarHBondContact O-CB 3.4Å; E809-A812 PolarHBondContact O-N 3.45Å
810M79.8Confident80.2Confident46 Ų4674.4 Ų74.423%0.22744%0.439CS..Hα-helixtrans-67.9-31.5-179.8-73.7-156.6-174.800113.5L760 K796 K799 V800 A806 L807L760-M810 HydrophobicContact CD1-CB 4.32Å; L760-M810 HydrophobicContact CD1-SD 4.44Å; K796-M810 HydrophobicContact CD-SD 4.4Å; K796-M810 HydrophobicContact CG-CE 4.47Å; K796-M810 HydrophobicContact CG-SD 3.58Å; K796-M810 VanDerWaalsContact CG-SD 3.58Å; K799-M810 HydrophobicContact CB-CE 3.58Å; K799-M810 HydrophobicContact CD-CE 3.87Å; K799-M810 HydrophobicContact CG-CE 4.38Å; V800-M810 HydrophobicContact CG2-CE 4.08Å; V800-M810 HydrophobicContact CG2-CG 4.31Å; V800-M810 HydrophobicContact CG2-SD 3.56Å; V800-M810 VanDerWaalsContact CG2-SD 3.56Å; A806-M810 WeakPolarHBondContact O-CB 3.48Å; A806-M810 WeakPolarHBondContact O-CG 3.38Å; A806-M810 PolarHBondContact O-N 2.84Å; L807-M810 PolarHBondContact O-N 3.2Å
811E87.1Confident78.5Confident52 Ų5275.6 Ų75.624%0.24346%0.455CS..Hα-helixtrans-91-6.5178.5-67-164.3162.900113.7R759 L760 L807 E809 E813 V814R759-E811 VanDerWaalsContact CA-OE1 3.28Å; R759-E811 WeakPolarHBondContact CA-OE1 3.34Å; R759-E811 WeakPolarHBondContact CB-OE1 3.49Å; L760-E811 HydrophobicContact CD1-CG 4.45Å; L760-E811 PolarHBondContact N-OE1 3.5Å; L807-E811 HydrophobicContact CD1-CG 3.95Å; L807-E811 WeakPolarHBondContact O-CB 3.43Å; L807-E811 PolarHBondContact O-N 2.93Å; E809-E811 VanDerWaalsContact C-N 3.34Å; E809-E811 PolarHBondContact O-N 3.12Å; E811-E813 PolarHBondContact O-N 2.87Å; E811-E813 VanDerWaalsContact O-N 3.13Å; E811-V814 HydrophobicContact CB-CG2 4.07Å; E811-V814 HydrophobicContact CG-CG2 4.3Å; E811-V814 VanDerWaalsContact O-CB 3.26Å; E811-V814 WeakPolarHBondContact O-CB 3.46Å; E811-V814 WeakPolarHBondContact O-CG2 3.47Å; E811-V814 PolarHBondContact O-N 3.31Å
812A83.3Confident76.6Confident69 Ų6972.2 Ų72.257%0.5743%0.429SS*.THydrogen-bonded Turntrans-56.8-30.9177.100000112.6A808 E809A808-A812 WeakPolarHBondContact O-CB 3.23Å; A808-A812 PolarHBondContact O-N 3.46Å; E809-A812 WeakPolarHBondContact O-CB 3.4Å; E809-A812 PolarHBondContact O-N 3.45Å
813E80Confident74.8Confident44 Ų4465 Ų6521%0.20640%0.396CS..THydrogen-bonded Turntrans-80.4-17.3179.6-63.2-168.8172.700113.9Q756 E811 M815 S816 N826Q756-E813 HydrophobicContact CB-CB 4.2Å; Q756-E813 VanDerWaalsContact CB-OE2 3.25Å; Q756-E813 WeakPolarHBondContact CB-OE2 3.23Å; E811-E813 PolarHBondContact O-N 2.87Å; E811-E813 VanDerWaalsContact O-N 3.13Å; E813-M815 VanDerWaalsContact C-N 3.29Å; E813-M815 PolarHBondContact O-N 3.46Å; E813-S816 WeakPolarHBondContact O-CB 3.36Å; E813-S816 PolarHBondContact O-N 3.08Å; E813-S816 VanDerWaalsContact O-N 3.11Å; E813-S816 PolarHBondContact O-OG 3.03Å; E813-N826 PolarHBondContact OE1-ND2 2.83Å
814V86.4Confident73.1Confident2 Ų270.4 Ų70.41%0.01242%0.416CS..THydrogen-bonded Turntrans-60.8-40.2-174.1175.10000111.3R759 E811R759-V814 HydrophobicContact CG-CG1 3.95Å; E811-V814 HydrophobicContact CB-CG2 4.07Å; E811-V814 HydrophobicContact CG-CG2 4.3Å; E811-V814 VanDerWaalsContact O-CB 3.26Å; E811-V814 WeakPolarHBondContact O-CB 3.46Å; E811-V814 WeakPolarHBondContact O-CG2 3.47Å; E811-V814 PolarHBondContact O-N 3.31Å
815M84.3Confident71.5Confident89 Ų8969 Ų6944%0.43842%0.417SS..THydrogen-bonded Turntrans-103.711.1179-59.2-59.6-75.300113.1P721 Q725 E813 S817P721-M815 HydrophobicContact CB-CE 4.26Å; P721-M815 HydrophobicContact CB-SD 4.26Å; Q725-M815 HydrophobicContact CG-SD 4.12Å; E813-M815 VanDerWaalsContact C-N 3.29Å; E813-M815 PolarHBondContact O-N 3.46Å; M815-S817 PolarHBondContact O-N 3.22Å
816S79.1Confident70.3Confident27 Ų2766.7 Ų66.719%0.18940%0.404CS..PPolyproline II helixtrans-65.3133.5-177.765.50000112.5R724 E813R724-S816 PolarHBondContact NH1-O 3.46Å; E813-S816 WeakPolarHBondContact O-CB 3.36Å; E813-S816 PolarHBondContact O-N 3.08Å; E813-S816 VanDerWaalsContact O-N 3.11Å; E813-S816 PolarHBondContact O-OG 3.03Å
817S66.2Low69.5Low99 Ų9967.3 Ų67.369%0.69241%0.407SS*.PPolyproline II helixtrans-67.1141.4174.8-53.80000111.3M815 N819M815-S817 PolarHBondContact O-N 3.22Å; S817-N819 PolarHBondContact O-N 3.35Å
818S56.8Low69Low49 Ų4966 Ų6634%0.34340%0.402SS..PPolyproline II helixtrans-46.6116.1-173-53.60000114.5C717 H718 L719 R724C717-S818 VanDerWaalsContact O-CB 3.24Å; C717-S818 WeakPolarHBondContact O-CB 3.49Å; C717-S818 PolarHBondContact O-OG 3.25Å; H718-S818 PolarHBondContact O-OG 3.36Å; L719-S818 PolarHBondContact O-OG 3.38Å; R724-S818 PolarHBondContact NH2-OG 2.91Å
819N54.7Low68.7Low117 Ų11771.3 Ų71.363%0.62641%0.414SS*.  trans-127.6126.7158.5-88.1-26000108S817 G821 L822S817-N819 PolarHBondContact O-N 3.35Å; N819-G821 PolarHBondContact O-N 3.37Å; N819-L822 VanDerWaalsContact O-CB 3.29Å; N819-L822 WeakPolarHBondContact O-CB 3.48Å; N819-L822 PolarHBondContact O-N 3.02Å
820A53.4Low68.6Low61 Ų6166 Ų6650%0.50439%0.388SS..THydrogen-bonded Turntrans-55.9-21.3177.200000113L822A820-L822 VanDerWaalsContact C-N 3.29Å; A820-L822 PolarHBondContact O-N 2.98Å
821G54.8Low68.6Low45 Ų4563.8 Ų63.846%0.46438%0.377SS..THydrogen-bonded Turntrans-68.7-19.1173.300000114.8N819 L823 K824 G825N819-G821 PolarHBondContact O-N 3.37Å; G821-L823 VanDerWaalsContact C-N 3.34Å; G821-L823 PolarHBondContact O-N 3.2Å; G821-K824 CarbonylContact O-C 3.54Å; G821-K824 WeakPolarHBondContact O-CA 3.19Å; G821-K824 PolarHBondContact O-N 2.85Å; G821-G825 PolarHBondContact O-N 3.42Å
822L49.3Very low68.1Low30 Ų3063.9 Ų63.916%0.15738%0.383CS..Hα-helixtrans-65.2-37.5-173.3-152.291.7000112.3Q756 F757 N819 A820 K824Q756-L822 HydrophobicContact CG-CD2 4.03Å; Q756-L822 VanDerWaalsContact NE2-CD2 3.35Å; Q756-L822 PolarHBondContact NE2-O 2.89Å; F757-L822 HydrophobicContact CD1-CD2 4.45Å; F757-L822 HydrophobicContact CE1-CD2 3.36Å; F757-L822 HydrophobicContact CZ-CD2 3.78Å; N819-L822 VanDerWaalsContact O-CB 3.29Å; N819-L822 WeakPolarHBondContact O-CB 3.48Å; N819-L822 PolarHBondContact O-N 3.02Å; A820-L822 VanDerWaalsContact C-N 3.29Å; A820-L822 PolarHBondContact O-N 2.98Å; L822-K824 VanDerWaalsContact C-N 3.33Å
823L54.5Low67.9Low15 Ų1562.9 Ų62.98%0.07937%0.365CS..Hα-helixtrans-79.1-15.2172.5-68.1179.9000112.6C717 A753 F757 G821 V827 L835C717-L823 HydrophobicContact CB-CD1 3.61Å; C717-L823 HydrophobicContact CB-CG 3.77Å; A753-L823 WeakPolarHBondContact O-CD2 3.47Å; F757-L823 HydrophobicContact CE2-CD2 4.45Å; G821-L823 VanDerWaalsContact C-N 3.34Å; G821-L823 PolarHBondContact O-N 3.2Å; L823-V827 WeakPolarHBondContact O-CG2 3.47Å; L823-L835 HydrophobicContact CB-CD1 3.85Å; L823-L835 HydrophobicContact CD1-CD1 4.31Å; L823-L835 HydrophobicContact CD2-CD1 4.25Å; L823-L835 HydrophobicContact CG-CD1 4.35Å; L823-L835 WeakPolarHBondContact O-CD2 3.34Å
824K55Low67.7Low189 Ų18960.8 Ų60.882%0.82236%0.355SS*.Hα-helixtrans-94.6-25.3179.3-70.3-174.2177.4-178.60113.9G821 L822G821-K824 CarbonylContact O-C 3.54Å; G821-K824 WeakPolarHBondContact O-CA 3.19Å; G821-K824 PolarHBondContact O-N 2.85Å; L822-K824 VanDerWaalsContact C-N 3.33Å
825G53.7Low67Low58 Ų5861.9 Ų61.960%0.59836%0.361SS*.Hα-helixtrans-108.3-42.4-167.600000116.4G821G821-G825 PolarHBondContact O-N 3.42Å
826N61.5Low66.6Low95 Ų9560.5 Ų60.551%0.50836%0.36SS..SBendtrans-109.721.3-168.3-76.56.5000114E813 P828E813-N826 PolarHBondContact OE1-ND2 2.83Å; N826-P828 WeakPolarHBondContact O-CD 3.47Å
827V67.5Low66.1Low24 Ų2460.1 Ų60.115%0.14536%0.358CS..  trans-80.7121.7-179.6-175.30000109.4L823 A831 L835L823-V827 WeakPolarHBondContact O-CG2 3.47Å; V827-A831 HydrophobicContact CG1-CB 3.57Å; V827-L835 HydrophobicContact CG2-CD2 4.31Å
828P75.5Confident66.3Low42 Ų4255.6 Ų55.627%0.27333%0.326SS..  trans-52.8148.9175.6-26.734000111.7N826 W830 A831 S832N826-P828 WeakPolarHBondContact O-CD 3.47Å; P828-W830 HydrophobicContact CB-CG 4.27Å; P828-W830 PolarHBondContact O-N 3.24Å; P828-W830 VanDerWaalsContact O-N 3.09Å; P828-A831 WeakPolarHBondContact O-CA 3.37Å; P828-A831 PolarHBondContact O-N 2.89Å; P828-S832 PolarHBondContact O-N 2.94Å
829Q76.8Confident66.7Low188 Ų18857.5 Ų57.588%0.87934%0.336SS*.Hα-helixtrans-53-37.3-179.7-173.5177.2-1.800112.2A831Q829-A831 VanDerWaalsContact C-N 3.28Å; Q829-A831 PolarHBondContact O-N 3Å
830W80.1Confident66.8Low45 Ų4556 Ų5617%0.1734%0.335CS..Hα-helixtrans-69.6-19.2176.577.3-106000113.8Q755 G792 F793 P828 W833Q755-W830 HydrophobicContact CB-CH2 4.26Å; Q755-W830 HydrophobicContact CB-CZ2 4.33Å; Q755-W830 HydrophobicContact CG-CH2 4.48Å; Q755-W830 HydrophobicContact CG-CZ2 4.23Å; G792-W830 VanDerWaalsContact C-CZ2 3.49Å; G792-W830 VanDerWaalsContact CA-CE2 3.45Å; G792-W830 PolarHBondContact O-NE1 3.26Å; F793-W830 HydrophobicContact CD1-CH2 4.23Å; F793-W830 HydrophobicContact CD1-CZ2 4.48Å; F793-W830 AromaticContact CD2-CH2 3.97Å; F793-W830 HydrophobicContact CD2-CH2 3.97Å; F793-W830 HydrophobicContact CE1-CH2 4.16Å; F793-W830 AromaticContact CE2-CH2 3.86Å; F793-W830 HydrophobicContact CE2-CH2 3.86Å; F793-W830 HydrophobicContact CE2-CZ3 4.44Å; F793-W830 HydrophobicContact CG-CH2 4.14Å; F793-W830 AromaticContact CZ-CH2 3.96Å; F793-W830 HydrophobicContact CZ-CH2 3.96Å; P828-W830 HydrophobicContact CB-CG 4.27Å; P828-W830 PolarHBondContact O-N 3.24Å; P828-W830 VanDerWaalsContact O-N 3.09Å; W830-W833 PolarHBondContact O-NE1 3.04Å
831A80.7Confident67.2Low0 Ų056 Ų560%032%0.323CS..Hα-helixtrans-103.9-18.3178.800000112.5Q755 V827 P828 Q829 W833 A834 L835Q755-A831 HydrophobicContact CG-CB 4.28Å; V827-A831 HydrophobicContact CG1-CB 3.57Å; P828-A831 WeakPolarHBondContact O-CA 3.37Å; P828-A831 PolarHBondContact O-N 2.89Å; Q829-A831 VanDerWaalsContact C-N 3.28Å; Q829-A831 PolarHBondContact O-N 3Å; A831-W833 PolarHBondContact O-N 3Å; A831-W833 VanDerWaalsContact O-N 3.14Å; A831-A834 WeakPolarHBondContact O-CB 3.5Å; A831-A834 PolarHBondContact O-N 2.85Å; A831-L835 PolarHBondContact O-N 2.9Å
832S77.1Confident67.8Low53 Ų5356.4 Ų56.437%0.37131%0.312SS..Hα-helixtrans-57-32.6-177.7-175.30000113.3P828 S836P828-S832 PolarHBondContact O-N 2.94Å; S832-S836 WeakPolarHBondContact O-CB 3.3Å; S832-S836 PolarHBondContact O-N 3.03Å; S832-S836 PolarHBondContact O-OG 3Å
833W78.9Confident67.7Low48 Ų4856.6 Ų56.618%0.18231%0.312CS..Hα-helixtrans-71.7-31.5176.869-94.8000111.8L749 Q785 R788 W830 A831 S836 A837L749-W833 HydrophobicContact CD2-CE3 4.31Å; L749-W833 HydrophobicContact CD2-CH2 3.34Å; L749-W833 HydrophobicContact CD2-CZ3 3.13Å; Q785-W833 HydrophobicContact CG-CH2 3.49Å; Q785-W833 VanDerWaalsContact CG-CH2 3.49Å; Q785-W833 HydrophobicContact CG-CZ2 4.41Å; Q785-W833 HydrophobicContact CG-CZ3 4.08Å; Q785-W833 VanDerWaalsContact NE2-CH2 3.33Å; Q785-W833 VanDerWaalsContact OE1-CZ3 3.31Å; R788-W833 HydrophobicContact CB-CZ2 4.4Å; R788-W833 VanDerWaalsContact CZ-CE2 3.5Å; R788-W833 VanDerWaalsContact NH2-CG 3.31Å; W830-W833 PolarHBondContact O-NE1 3.04Å; A831-W833 PolarHBondContact O-N 3Å; A831-W833 VanDerWaalsContact O-N 3.14Å; W833-S836 PolarHBondContact O-N 3.21Å; W833-A837 WeakPolarHBondContact O-CB 3.21Å; W833-A837 PolarHBondContact O-N 3.31Å
834A75.2Confident67.4Low0 Ų063.5 Ų63.50%034%0.342CS..Hα-helixtrans-71-42.1178.100000110.4L749 A753 A831 S836 A837 L838L749-A834 HydrophobicContact CD2-CB 4.17Å; A753-A834 HydrophobicContact CB-CB 4.43Å; A831-A834 WeakPolarHBondContact O-CB 3.5Å; A831-A834 PolarHBondContact O-N 2.85Å; A834-S836 VanDerWaalsContact C-N 3.34Å; A834-S836 PolarHBondContact O-N 3.01Å; A834-A837 PolarHBondContact O-N 2.91Å; A834-L838 WeakPolarHBondContact O-CG 3.44Å; A834-L838 PolarHBondContact O-N 2.68Å
835L72.6Confident66.9Low26 Ų2659.1 Ų59.114%0.13633%0.332CS..Hα-helixtrans-59.2-46.6170.3-174.983.4000111.4A753 L823 V827 A831 A837 L838 T839A753-L835 HydrophobicContact CB-CB 4.36Å; A753-L835 HydrophobicContact CB-CD1 4.35Å; L823-L835 HydrophobicContact CB-CD1 3.85Å; L823-L835 HydrophobicContact CD1-CD1 4.31Å; L823-L835 HydrophobicContact CD2-CD1 4.25Å; L823-L835 HydrophobicContact CG-CD1 4.35Å; L823-L835 WeakPolarHBondContact O-CD2 3.34Å; V827-L835 HydrophobicContact CG2-CD2 4.31Å; A831-L835 PolarHBondContact O-N 2.9Å; L835-A837 VanDerWaalsContact C-N 3.29Å; L835-A837 PolarHBondContact O-N 3.36Å; L835-L838 PolarHBondContact O-N 2.88Å; L835-T839 HydrophobicContact CG-CG2 4.35Å; L835-T839 WeakPolarHBondContact O-CB 3.4Å; L835-T839 VanDerWaalsContact O-CG2 3.31Å; L835-T839 WeakPolarHBondContact O-CG2 3.04Å; L835-T839 PolarHBondContact O-N 2.89Å; L835-T839 PolarHBondContact O-OG1 2.77Å
836S74.8Confident66.1Low60 Ų6059.8 Ų59.842%0.4232%0.322SS..Hα-helixtrans-60.1-40.6176.7-580000111.5S832 W833 A834 T839 S840S832-S836 WeakPolarHBondContact O-CB 3.3Å; S832-S836 PolarHBondContact O-N 3.03Å; S832-S836 PolarHBondContact O-OG 3Å; W833-S836 PolarHBondContact O-N 3.21Å; A834-S836 VanDerWaalsContact C-N 3.34Å; A834-S836 PolarHBondContact O-N 3.01Å; S836-T839 WeakPolarHBondContact CA-OG1 3.4Å; S836-T839 PolarHBondContact O-OG1 3.23Å; S836-S840 WeakPolarHBondContact O-CB 3.02Å; S836-S840 PolarHBondContact O-N 2.75Å; S836-S840 PolarHBondContact O-OG 3.2Å
837A69.8Low64.5Low19 Ų1963.7 Ų63.716%0.15734%0.337CS..Hα-helixtrans-65.6-42.7176.200000112.4L749 W833 A834 L835 S840 K841L749-A837 HydrophobicContact CD1-CB 3.94Å; L749-A837 HydrophobicContact CD2-CB 4.47Å; W833-A837 WeakPolarHBondContact O-CB 3.21Å; W833-A837 PolarHBondContact O-N 3.31Å; A834-A837 PolarHBondContact O-N 2.91Å; L835-A837 VanDerWaalsContact C-N 3.29Å; L835-A837 PolarHBondContact O-N 3.36Å; A837-S840 PolarHBondContact O-OG 2.78Å; A837-K841 WeakPolarHBondContact O-CB 3.46Å; A837-K841 PolarHBondContact O-N 3.02Å; A837-K841 VanDerWaalsContact O-N 3.11Å
838L68.9Low62.7Low4 Ų467.9 Ų67.92%0.02136%0.362CS..Hα-helixtrans-63.6-54.4174.8-71.3172.7000110.6V710 K714 L749 A753 A834 L835 S840 K841V710-L838 HydrophobicContact CB-CD2 4.3Å; V710-L838 HydrophobicContact CG1-CD2 4.03Å; V710-L838 HydrophobicContact CG2-CD2 4.02Å; K714-L838 WeakPolarHBondContact CE-O 3.38Å; K714-L838 PolarHBondContact NZ-O 3.06Å; L749-L838 HydrophobicContact CB-CD2 4Å; L749-L838 HydrophobicContact CB-CG 4.15Å; A753-L838 HydrophobicContact CB-CD1 3.29Å; A753-L838 HydrophobicContact CB-CG 4.47Å; A834-L838 WeakPolarHBondContact O-CG 3.44Å; A834-L838 PolarHBondContact O-N 2.68Å; L835-L838 PolarHBondContact O-N 2.88Å; L838-S840 PolarHBondContact O-N 2.91Å; L838-K841 PolarHBondContact O-N 3.34Å
839T66.2Low60.2Low89 Ų8974.4 Ų74.455%0.54639%0.389SS..Hα-helixtrans-54.4-40.7-17853.40000112.3K714 L835 S836K714-T839 PolarHBondContact NZ-O 3.44Å; L835-T839 HydrophobicContact CG-CG2 4.35Å; L835-T839 WeakPolarHBondContact O-CB 3.4Å; L835-T839 VanDerWaalsContact O-CG2 3.31Å; L835-T839 WeakPolarHBondContact O-CG2 3.04Å; L835-T839 PolarHBondContact O-N 2.89Å; L835-T839 PolarHBondContact O-OG1 2.77Å; S836-T839 WeakPolarHBondContact CA-OG1 3.4Å; S836-T839 PolarHBondContact O-OG1 3.23Å
840S57.5Low57.6Low85 Ų8573.7 Ų73.759%0.59439%0.386SS*.Hα-helixtrans-83.7-24.2-177580000116.2S836 A837 L838S836-S840 WeakPolarHBondContact O-CB 3.02Å; S836-S840 PolarHBondContact O-N 2.75Å; S836-S840 PolarHBondContact O-OG 3.2Å; A837-S840 PolarHBondContact O-OG 2.78Å; L838-S840 PolarHBondContact O-N 2.91Å
841K61.6Low55Low62 Ų6277 Ų7727%0.2742%0.416SS..  trans-121.4107.8-166.1-58.7-169.9179.7-171.40113.8A837 L838 W968A837-K841 WeakPolarHBondContact O-CB 3.46Å; A837-K841 PolarHBondContact O-N 3.02Å; A837-K841 VanDerWaalsContact O-N 3.11Å; L838-K841 PolarHBondContact O-N 3.34Å; K841-W968 HydrophobicContact CB-CH2 4.24Å; K841-W968 HydrophobicContact CB-CZ3 4.48Å; K841-W968 HydrophobicContact CD-CE3 3.98Å; K841-W968 HydrophobicContact CD-CH2 4.09Å; K841-W968 HydrophobicContact CD-CZ3 3.69Å
842F66.9Low52.3Low52 Ų5281.7 Ų81.723%0.22845%0.449CS..PPolyproline II helixtrans-98.7154.8148-78.3-67000108.8K670 V673 N707 V710 K714K670-F842 HydrophobicContact CB-CD2 4.22Å; K670-F842 HydrophobicContact CB-CE1 4.42Å; K670-F842 HydrophobicContact CB-CE2 4.02Å; K670-F842 HydrophobicContact CB-CG 4.49Å; K670-F842 HydrophobicContact CB-CZ 4.12Å; K670-F842 HydrophobicContact CD-CB 3.86Å; K670-F842 HydrophobicContact CD-CD1 4.29Å; K670-F842 HydrophobicContact CD-CD2 4.18Å; K670-F842 HydrophobicContact CD-CG 3.88Å; K670-F842 HydrophobicContact CG-CB 4.23Å; K670-F842 HydrophobicContact CG-CD1 3.7Å; K670-F842 HydrophobicContact CG-CD2 3.91Å; K670-F842 HydrophobicContact CG-CE1 3.89Å; K670-F842 HydrophobicContact CG-CE2 4.09Å; K670-F842 HydrophobicContact CG-CG 3.7Å; K670-F842 HydrophobicContact CG-CZ 4.07Å; V673-F842 HydrophobicContact CG2-CZ 3.84Å; N707-F842 HydrophobicContact CB-CD1 4.2Å; V710-F842 HydrophobicContact CB-CE1 4.35Å; V710-F842 HydrophobicContact CG1-CD1 4.17Å; V710-F842 HydrophobicContact CG1-CE1 3.96Å; K714-F842 HydrophobicContact CD-CZ 4.3Å
843Q48.1Very low49.8Very low35 Ų3588.9 Ų88.916%0.16447%0.473CS..PPolyproline II helixtrans-62.3143.6176.6-158.2168.1-17.900110.4K670 N707K670-Q843 PolarHBondContact NZ-O 3.18Å; N707-Q843 PolarHBondContact OD1-N 3.43Å
844K48.1Very low47.3Very low159 Ų15992.3 Ų92.369%0.69150%0.499SS*.PPolyproline II helixtrans-61.4141.9179.5-74.8-177.6-179.1174.70110
845P43.1Very low44.9Very low97 Ų9796 Ų9663%0.6354%0.538SS*.PPolyproline II helixtrans-58.9142-176.3-18.829.3000112.4Q847P845-Q847 PolarHBondContact O-N 3Å
846I36.7Very low42.6Very low72 Ų72100.3 Ų100.337%0.36957%0.565SS.*  trans-65.8112.4168.7-57.6160.4000107.5V662 H701 V848V662-I846 HydrophobicContact CG1-CD1 3.72Å; H701-I846 WeakPolarHBondContact CE1-CD1 3.43Å; H701-I846 WeakPolarHBondContact NE2-CD1 3.36Å; I846-V848 PolarHBondContact O-N 3.42Å
847Q29.2Very low40.3Very low178 Ų178103.8 Ų103.883%0.83258%0.584SS**  trans-70.2114.8172.6-73.3-171.7-12.400109P845 Q849P845-Q847 PolarHBondContact O-N 3Å; Q847-Q849 PolarHBondContact O-N 3.02Å; Q847-Q849 VanDerWaalsContact O-N 3.07Å
848V28.1Very low38.2Very low112 Ų112110.1 Ų110.168%0.67962%0.615SS**  trans-67.2103.6168.8-179.10000106.8I846 E850I846-V848 PolarHBondContact O-N 3.42Å; V848-E850 PolarHBondContact O-N 3.49Å
849Q23Very low36Very low179 Ų179114.9 Ų114.984%0.83665%0.648SS**  trans-67.197.6167.8-85.3-175.7-17.900108.2Q847 S851Q847-Q849 PolarHBondContact O-N 3.02Å; Q847-Q849 VanDerWaalsContact O-N 3.07Å; Q849-S851 PolarHBondContact O-N 3.49Å; Q849-S851 VanDerWaalsContact O-N 3.11Å
850E24Very low34Very low173 Ų173117 Ų11781%0.80866%0.662SS**  trans-58115.4164.1-81-179.2160.800108.2V848 S852V848-E850 PolarHBondContact O-N 3.49Å; E850-S852 PolarHBondContact O-N 3.15Å
851S23.8Very low32.4Very low114 Ų114118.6 Ų118.680%0.79767%0.672SS**  trans-7664.3-177-400000110.5Q849 K853Q849-S851 PolarHBondContact O-N 3.49Å; Q849-S851 VanDerWaalsContact O-N 3.11Å; S851-K853 PolarHBondContact O-N 2.83Å
852S25Very low30.6Very low99 Ų99126.2 Ų126.269%0.69270%0.699SS**  trans-77.989.5169.454.90000108.9E850 T854E850-S852 PolarHBondContact O-N 3.15Å; S852-T854 VanDerWaalsContact C-N 3.35Å; S852-T854 PolarHBondContact O-N 2.89Å
853K24.8Very low28.6Very low204 Ų204129.2 Ų129.289%0.88773%0.727SS**  trans-62.792167.3-73.4179.7176.5178.20109.5S851S851-K853 PolarHBondContact O-N 2.83Å
854T25.2Very low27.4Very low119 Ų119132.5 Ų132.573%0.7375%0.75SS**  trans-115.991.9156.842.80000107.4S852 V856S852-T854 VanDerWaalsContact C-N 3.35Å; S852-T854 PolarHBondContact O-N 2.89Å; T854-V856 PolarHBondContact O-N 3.37Å
855G24.9Very low26.4Very low79 Ų79131 Ų13181%0.81476%0.759SS**  trans-64.2101.9172.800000109.4
856V25.8Very low25.4Very low116 Ų116133.3 Ų133.370%0.70376%0.761SS**  trans-97.9101.3160.6-178.40000106.2T854 N858T854-V856 PolarHBondContact O-N 3.37Å; V856-N858 PolarHBondContact O-N 3.1Å
857V24.8Very low24.8Very low133 Ų133138 Ų13881%0.80678%0.779SS**  trans-63.299.8170.7-179.20000107
858N26.4Very low24.7Very low151 Ų151136 Ų13681%0.80778%0.779SS**  trans-105.1109.8169-108.70.9000109.6V856V856-N858 PolarHBondContact O-N 3.1Å
859S24Very low24.5Very low104 Ų104135.2 Ų135.273%0.72779%0.785SS**  trans-58.3132.5-177.1-47.10000112.4S861S859-S861 PolarHBondContact O-N 2.95Å
860T22.9Very low24.8Very low135 Ų135131.8 Ų131.883%0.82879%0.787SS**  trans-42.5116.9169.8-32.40000113.3
861S24.7Very low24.8Very low117 Ų117131.4 Ų131.482%0.81879%0.79SS**  trans-105.697156.651.80000108.9S859 S863S859-S861 PolarHBondContact O-N 2.95Å; S861-S863 PolarHBondContact O-N 3.38Å
862R22.9Very low25.1Very low222 Ų222129.1 Ų129.184%0.83879%0.785SS**  trans-68.4111.2177.6-175.3171.6-175.3164.5-0.5109.3T864R862-T864 HydrophobicContact CG-CG2 4.46Å
863S25.1Very low25.3Very low116 Ų116130.7 Ų130.781%0.81179%0.791SS**  trans-101.7103.3160.244.20000108.6S861S861-S863 PolarHBondContact O-N 3.38Å
864T22.7Very low25.2Very low104 Ų104128.4 Ų128.464%0.63879%0.788SS**  trans-63.3127.3167.534.80000110.3R862R862-T864 HydrophobicContact CG-CG2 4.46Å
865S27.4Very low25.4Very low128 Ų128132.1 Ų132.190%0.89580%0.797SS**  trans-134.3107.2151.5-76.90000107.7
866E22.4Very low25.4Very low144 Ų144135.4 Ų135.467%0.67380%0.796SS**  trans-77.6152.8178.5-86.1-174.4158.500111.8
867K23.7Very low25.3Very low171 Ų171134.1 Ų134.174%0.74379%0.792SS**  trans72.8136151-67.9157.9-178.61500114.9
868T27.5Very low25.4Very low135 Ų135133.5 Ų133.583%0.82879%0.794SS**  cis-150.113439.6350000111.5
869A22.8Very low25.2Very low97 Ų97135.3 Ų135.380%0.80280%0.797SS**  trans-75.2145.716000000110.6
870A29.3Very low25.6Very low106 Ų106136.4 Ų136.488%0.87680%0.802SS**  trans-141.6120.415700000108.9
871N25Very low25.6Very low165 Ų165133.9 Ų133.988%0.88280%0.795SS**  trans-71.2157.3-178-77.7-23.1000113.6
872G29.5Very low25.5Very low66 Ų66134.6 Ų134.668%0.6880%0.795SS**  trans176.770.8157.400000108.9
873T28.9Very low25.7Very low133 Ų133129.7 Ų129.782%0.81679%0.794SS**  61114.110453.10000115.1
874D23.3Very low25.6Very low155 Ų155131.9 Ų131.983%0.82980%0.797SS**  trans-41.6146.6165.2-58.3-70.2000115.2
875E29.5Very low25.8Very low198 Ų198131.4 Ų131.493%0.92580%0.804SS**  trans-158.8103.6135.4-111.4174.4-164.500112.4
876N24.6Very low25.6Very low148 Ų148131 Ų13179%0.79180%0.801SS**  trans-0.3129.8148-118.43.2000122.4
877S23.3Very low25.9Very low89 Ų89130.3 Ų130.362%0.62281%0.807SS**  53.4123.3125.460.10000122.2
878S27.9Very low26Very low119 Ų119131 Ų13183%0.83281%0.812SS**  -170.5121.7121.616.70000112.5
879E21.8Very low25.9Very low189 Ų189130.8 Ų130.888%0.88382%0.815SS**  trans-64.9152.1161.3-66.1172.5134.400111.3
880P31.5Very low26.1Very low128 Ų128131.1 Ų131.183%0.83182%0.817SS**  trans-114.4118.4150.929-14.3000110.3
881A23.6Very low25.9Very low82 Ų82129.5 Ų129.568%0.67881%0.811SS**  trans-82.4146.8175.400000112.5
882T22.8Very low25.9Very low132 Ų132132.9 Ų132.981%0.8181%0.812SS**  trans63.6119.5149.953.20000120.1
883S26.6Very low25.6Very low119 Ų119141.3 Ų141.383%0.83282%0.823SS**  178.1140.1102.342.80000112.7
884N23.1Very low25.5Very low161 Ų161143.5 Ų143.586%0.86182%0.823SS**  trans-66.5142178.7-66.1-36.1000112.4
885A27.9Very low25.5Very low95 Ų95141.3 Ų141.379%0.78582%0.82SS**  trans-145.997.1154.100000109.6
886S23.5Very low25.5Very low119 Ų119137.8 Ų137.883%0.83281%0.814SS**  trans-56.6127.2168.8-43.40000110.2
887T28.8Very low25.6Very low130 Ų130137.1 Ų137.180%0.79882%0.816SS**  trans-125.5108.4164.2-45.10000108.2
888E23.9Very low25.7Very low185 Ų185138.3 Ų138.386%0.86482%0.821SS**  trans-59128.1174.7-66.6171.7137.400110.4
889C26.4Very low25.5Very low131 Ų131138.3 Ų138.389%0.88582%0.821SS**  trans-119.994.6162.3-90.60000108.1
890A26.3Very low25.6Very low103 Ų103134.5 Ų134.585%0.85182%0.816SS**  trans-71.5126175.900000111.6
891G24.8Very low25.3Very low72 Ų72136.9 Ų136.974%0.74282%0.816SS**  68.391.8129.800000118.8
892R25.8Very low25.3Very low237 Ų237136.8 Ų136.889%0.89482%0.823SS**  trans-115.4112143.7-88.2-169.4-179-1521.7110.1H894R892-H894 PolarHBondContact O-N 3.04Å
893R23.1Very low25.5Very low242 Ų242136.7 Ų136.791%0.91382%0.817SS**  trans-67.9118.2173.4-64.5174.4-178.9177.1-0.7109.1
894H26.6Very low25.4Very low179 Ų179134.4 Ų134.483%0.82981%0.813SS**  trans-117.6123155.7-85.6-72.2000108.5R892R892-H894 PolarHBondContact O-N 3.04Å
895S24.6Very low25.8Very low109 Ų109137 Ų13776%0.76281%0.81SS**PPolyproline II helixtrans-65.6157.1-174.2-43.10000112.5
896P29.8Very low26Very low124 Ų124141.3 Ų141.381%0.80581%0.814SS**PPolyproline II helixtrans-87.4137.4-156.134.3-33.3000112.8
897V25Very low26.3Very low135 Ų135142.2 Ų142.282%0.81881%0.81SS**PPolyproline II helixtrans-93.8136.1163.2177.90000107.4
898P25.4Very low26.3Very low114 Ų114142.2 Ų142.274%0.7480%0.802SS**PPolyproline II helixtrans-70.8138.8-163.2-10.126.2000111.7S900P898-S900 PolarHBondContact O-N 3.27Å
899S23.6Very low26.8Very low118 Ų118139.1 Ų139.183%0.82579%0.786SS**  trans-5696.9172.550.70000111.5Q901S899-Q901 PolarHBondContact O-N 2.96Å
900S24.6Very low27Very low110 Ų110136.9 Ų136.977%0.76977%0.769SS**  trans-74.6111.7156.9590000107.3P898 G902P898-S900 PolarHBondContact O-N 3.27Å; S900-G902 PolarHBondContact O-N 3.06Å
901Q24.8Very low27.9Very low178 Ų178139.9 Ų139.983%0.83276%0.758SS**  trans-46.8113.6168.7-78.6163.8-45.600108.8S899 D903S899-Q901 PolarHBondContact O-N 2.96Å; Q901-D903 PolarHBondContact O-N 3.42Å; Q901-D903 VanDerWaalsContact O-N 3.09Å
902G25.2Very low28.3Very low80 Ų80142 Ų14283%0.82575%0.752SS**  trans-73.699.2174.800000108.4S900S900-G902 PolarHBondContact O-N 3.06Å
903D26.8Very low28.4Very low129 Ų129137.6 Ų137.669%0.6975%0.747SS**  trans-46.7138.8178.1-64.8-52.1000113.1Q901 W905Q901-D903 PolarHBondContact O-N 3.42Å; Q901-D903 VanDerWaalsContact O-N 3.09Å; D903-W905 PolarHBondContact O-N 2.87Å; D903-W905 PolarHBondContact O-NE1 3.06Å
904G23.4Very low28.6Very low72 Ų72133.6 Ų133.674%0.74274%0.74SS**  trans-65.7116.1178.700000112.3
905W32.8Very low28.7Very low215 Ų215131.8 Ų131.881%0.81474%0.736SS**SBendtrans-95.5-4.8177.7-69.389.5000113.8D903D903-W905 PolarHBondContact O-N 2.87Å; D903-W905 PolarHBondContact O-NE1 3.06Å
906E30.2Very low28.9Very low186 Ų186133 Ų13387%0.86974%0.735SS**SBendtrans-85-27.7-178.2-76-178.4161.500113.1
907D30.8Very low28.7Very low138 Ų138131 Ų13174%0.73872%0.724SS**SBendtrans-90.7-12.9-176.9-80.7-26.5000115.4F909D907-F909 VanDerWaalsContact C-N 3.26Å; D907-F909 PolarHBondContact O-N 3.18Å; D907-F909 VanDerWaalsContact O-N 3.16Å
908M29.2Very low29Very low130 Ų130129.9 Ų129.964%0.6472%0.719SS**THydrogen-bonded Turntrans-75.9-6.2-168.6-164.2165.8-179.700114.8
909F35Very low29.1Very low120 Ų120132.7 Ų132.753%0.52673%0.727SS.*THydrogen-bonded Turntrans-145.356.2178.1-58.7-74.9000113.5D907 W911D907-F909 VanDerWaalsContact C-N 3.26Å; D907-F909 PolarHBondContact O-N 3.18Å; D907-F909 VanDerWaalsContact O-N 3.16Å; F909-W911 VanDerWaalsContact O-CD1 3.32Å; F909-W911 PolarHBondContact O-N 3.31Å
910T28.7Very low29.3Very low84 Ų84134.1 Ų134.152%0.51573%0.725SS.*  trans-69.690.6165.144.30000110D912T910-D912 PolarHBondContact O-N 3.44Å; T910-D912 VanDerWaalsContact O-N 3.13Å
911W45.3Very low29.4Very low165 Ų165137.4 Ų137.463%0.62573%0.728SS**G310 helixtrans-67.6-2173.8-75.389.4000113.6R690 F909 N913R690-W911 HydrophobicContact CG-CZ3 4.35Å; F909-W911 VanDerWaalsContact O-CD1 3.32Å; F909-W911 PolarHBondContact O-N 3.31Å; W911-N913 VanDerWaalsContact C-N 3.3Å; W911-N913 PolarHBondContact O-N 3.27Å
912D33.2Very low29.6Very low116 Ų116135.1 Ų135.162%0.6272%0.718SS**G310 helixtrans-77.6-8.5-171.6-64-34.7000114K698 T910K698-D912 IonicContact NZ-OD1 3.15Å; K698-D912 PolarHBondContact NZ-OD1 3.35Å; K698-D912 VanDerWaalsContact NZ-OD1 3.13Å; T910-D912 PolarHBondContact O-N 3.44Å; T910-D912 VanDerWaalsContact O-N 3.13Å
913N29.2Very low29.6Very low146 Ų146138.4 Ų138.478%0.78172%0.722SS**G310 helixtrans-93.811.9-176.3-79.4-20.3000116.4W911W911-N913 VanDerWaalsContact C-N 3.3Å; W911-N913 PolarHBondContact O-N 3.27Å
914M26.6Very low29.7Very low157 Ų157139.7 Ų139.777%0.77372%0.721SS**SBendtrans-103.688.7164.8-92.4-175.116000109.5D916M914-D916 PolarHBondContact O-N 3.11Å
915N29.8Very low29.8Very low141 Ų141141.4 Ų141.475%0.75472%0.722SS**  trans-30.8121.1172-128.411.2000111.9S917N915-S917 PolarHBondContact O-N 3.43Å
916D28.4Very low29.4Very low135 Ų135136 Ų13672%0.72272%0.717SS**  trans-6674162-82.2-36000107.4M914 P918M914-D916 PolarHBondContact O-N 3.11Å; D916-P918 VanDerWaalsContact O-CD 3.31Å; D916-P918 WeakPolarHBondContact O-CD 3.48Å
917S26Very low29.2Very low82 Ų82137.2 Ų137.257%0.57372%0.719SS**  trans-76.3116.4171.2-71.20000108.2N915 L919N915-S917 PolarHBondContact O-N 3.43Å; S917-L919 PolarHBondContact O-N 2.86Å
918P30.5Very low28.9Very low112 Ų112139.6 Ų139.673%0.72772%0.723SS**  trans-59.9129.4173.7-15.329.4000108.3D916 D920D916-P918 VanDerWaalsContact O-CD 3.31Å; D916-P918 WeakPolarHBondContact O-CD 3.48Å; P918-D920 PolarHBondContact O-N 3.06Å
919L26.8Very low28.8Very low173 Ų173139.5 Ų139.591%0.90673%0.732SS**SBendtrans-70.976.3174.5-73.3167.7000109.1S917S917-L919 PolarHBondContact O-N 2.86Å
920D27.7Very low28.3Very low147 Ų147140.4 Ų140.479%0.78674%0.743SS**  trans-150.4127.5160.8-81.5-44.5000109.9P918P918-D920 PolarHBondContact O-N 3.06Å
921E27.2Very low28.2Very low179 Ų179145.9 Ų145.984%0.83676%0.762SS**  trans89.8128.8158.2-61.8-145.4140.900122.6
922E28.9Very low27.3Very low130 Ų130144.1 Ų144.161%0.60777%0.769SS**  trans85.284.9154.6-62.3-156.7158.300121.2K924E922-K924 PolarHBondContact O-N 3.24Å; E922-K924 VanDerWaalsContact O-N 3.12Å; E922-K924 IonicContact OE1-NZ 2.7Å; E922-K924 PolarHBondContact OE1-NZ 3.42Å; E922-K924 IonicContact OE2-NZ 3.07Å; E922-K924 PolarHBondContact OE2-NZ 3.15Å
923V25.8Very low26.8Very low150 Ų150145.9 Ų145.991%0.90978%0.777SS**  trans-56.798.2137.9177.90000109.3
924K28.8Very low26.6Very low155 Ų155148.9 Ų148.967%0.67478%0.783SS**  trans-132.5135156.8-78.2-173.9-171.3135.50111.8E922E922-K924 PolarHBondContact O-N 3.24Å; E922-K924 VanDerWaalsContact O-N 3.12Å; E922-K924 IonicContact OE1-NZ 2.7Å; E922-K924 PolarHBondContact OE1-NZ 3.42Å; E922-K924 IonicContact OE2-NZ 3.07Å; E922-K924 PolarHBondContact OE2-NZ 3.15Å
925S25.5Very low26.4Very low108 Ų108144.9 Ų144.976%0.75578%0.783SS**  trans-69.7133.9-163.8630000114.6
926S23.7Very low26.2Very low103 Ų103143.5 Ų143.572%0.7278%0.784SS**  trans18.5119.3136.760.40000119.3
927K26.2Very low25.9Very low211 Ų211143.6 Ų143.692%0.91778%0.784SS**  trans-162.4118.1130.4-104.3168.2-172.1-177.40110.3
928K23.9Very low26.1Very low187 Ų187146.6 Ų146.681%0.81379%0.794SS**  trans-72154.4161.5-72.9-176.9173.6-176.30109.2
929P27.6Very low25.7Very low129 Ų129151.5 Ų151.584%0.83880%0.798SS**  -139.115599.229.2-11.3000114.5
930N23.8Very low25.7Very low139 Ų139151.2 Ų151.274%0.74380%0.797SS**  trans-65.7142.2177.2-66-30.4000112.5
931E27.5Very low25.7Very low199 Ų199151.6 Ų151.693%0.9380%0.799SS**  trans-143.7142146-110.3178.5-177.700110.6
932V26Very low25.9Very low127 Ų127148.7 Ų148.777%0.7780%0.795SS**  trans-101125.3-162.5168.70000110.9
933I22.1Very low25.8Very low153 Ų153151.8 Ų151.879%0.78581%0.807SS**  trans19.9112.8141.7-50.5173.5000118.3
934K26.2Very low25.9Very low209 Ų209151.3 Ų151.391%0.90980%0.8SS**  trans-147126.9137.4-67.7-175.3179.6174.60104.9
935G20.8Very low25.7Very low74 Ų74148.5 Ų148.576%0.76380%0.799SS**  cis104.177.733.900000108.8
936S26Very low25.6Very low112 Ų112154.3 Ų154.378%0.78381%0.805SS**  trans-161.9123.9155.853.50000110.9
937D23.1Very low25.6Very low136 Ų136156.8 Ų156.873%0.72781%0.81SS**  trans-68.3111.1178.1-175.422.2000110.2
938D28.9Very low25.6Very low146 Ų146152.7 Ų152.778%0.78180%0.803SS**  trans-121.3100.7166.6-88.5-31.5000108.9L940D938-L940 PolarHBondContact O-N 2.85Å
939R23.6Very low25.7Very low215 Ų215150.9 Ų150.981%0.81180%0.801SS**  trans-58.7117.5167.5-69.6173.4171.6174.1-5.6109.5
940L27.2Very low25.7Very low167 Ų167153.5 Ų153.587%0.87480%0.803SS**  trans-121.1109.8163-73.2170.1000107.8D938D938-L940 PolarHBondContact O-N 2.85Å
941D26.9Very low25.7Very low154 Ų154157.9 Ų157.982%0.82481%0.809SS**PPolyproline II helixtrans-62.6154.8176.9-82.8-44.2000112.2
942P31.1Very low25.6Very low118 Ų118156.6 Ų156.677%0.76680%0.803SS**PPolyproline II helixtrans-80.9133.2-163.6-6.425.9000112.2
943F26.2Very low25.6Very low196 Ų196159 Ų15986%0.8681%0.805SS**PPolyproline II helixtrans-79.1123.7179.7-174-102.7000111
944D27.7Very low25.7Very low140 Ų140161 Ų16175%0.74981%0.808SS**PPolyproline II helixtrans-55.6142.1-173.7-89.8-42.7000115.2
945S25.5Very low25.7Very low95 Ų95157 Ų15766%0.66480%0.802SS**PPolyproline II helixtrans-62.1130.2175.557.50000112.9
946W24Very low25.8Very low230 Ų230161.2 Ų161.287%0.87181%0.807SS**  trans-86.9104.5162.6-81.5-1.3000110.2V948W946-V948 PolarHBondContact O-N 3.05Å
947D23.6Very low26Very low155 Ų155160 Ų16083%0.82980%0.803SS**  trans-60.7107161.9-87.1-42.6000109.5D949D947-D949 PolarHBondContact O-N 2.98Å
948V26.3Very low26.2Very low126 Ų126161 Ų16176%0.76481%0.808SS**  trans-91.398.4169.4177.90000107.7W946 Q950W946-V948 PolarHBondContact O-N 3.05Å; V948-Q950 PolarHBondContact O-N 3.28Å
949D25.6Very low26Very low148 Ų148164.1 Ų164.179%0.79182%0.815SS**  trans-52.9115.8169.8-97.7-32.4000110.8D947 R951D947-D949 PolarHBondContact O-N 2.98Å; D949-R951 PolarHBondContact O-N 3.35Å; D949-R951 VanDerWaalsContact O-N 3.08Å
950Q26.6Very low26.2Very low185 Ų185161 Ų16186%0.86481%0.813SS**  trans-71.196.6176-63.9179.325.800109.8V948V948-Q950 PolarHBondContact O-N 3.28Å
951R25.3Very low26.3Very low230 Ų230157.9 Ų157.987%0.86881%0.805SS**  trans-90108.9162.8-73.9-172.6-178.8-172.21.6109.6D949 E953D949-R951 PolarHBondContact O-N 3.35Å; D949-R951 VanDerWaalsContact O-N 3.08Å; R951-E953 PolarHBondContact O-N 3.09Å; R951-E953 VanDerWaalsContact O-N 3.11Å
952E25.7Very low26.5Very low172 Ų172156.2 Ų156.280%0.80480%0.796SS**  trans-60.2100.3174.3-64.6-178.415300111.6K954E952-K954 PolarHBondContact O-N 3.16Å
953E24.8Very low26.4Very low177 Ų177159.2 Ų159.283%0.82780%0.797SS**  trans-84.5104.4164.3-81.1-170.2158.200110.3R951 V955R951-E953 PolarHBondContact O-N 3.09Å; R951-E953 VanDerWaalsContact O-N 3.11Å; E953-V955 PolarHBondContact O-N 2.84Å
954K24.5Very low26.5Very low195 Ų195156.7 Ų156.785%0.84879%0.793SS**  trans-67.687.7172.2-73.8177.4178.3170.20110.6E952 N956E952-K954 PolarHBondContact O-N 3.16Å; K954-N956 PolarHBondContact O-N 3.3Å
955V26.4Very low27.1Very low127 Ų127153.9 Ų153.977%0.7777%0.772SS**  trans-77.8114168-179.40000109.2E953 A957E953-V955 PolarHBondContact O-N 2.84Å; V955-A957 PolarHBondContact O-N 3.14Å
956N23.8Very low27.5Very low162 Ų162156.2 Ų156.287%0.86678%0.777SS**  trans-73.483.2-175.7-148.21.4000110.3K954 N958K954-N956 PolarHBondContact O-N 3.3Å; N956-N958 PolarHBondContact O-N 3.07Å
957A28.6Very low28.2Very low85 Ų85149.2 Ų149.270%0.70276%0.763SS**  trans-74.1118.5176.300000110.5V955 K959V955-A957 PolarHBondContact O-N 3.14Å; A957-K959 PolarHBondContact O-N 3.03Å
958N27Very low28.7Very low158 Ų158145.3 Ų145.385%0.84574%0.737SS**  trans-42.8123.6176.9-86.2-31000112.6N956 I960N956-N958 PolarHBondContact O-N 3.07Å; N958-I960 PolarHBondContact O-N 2.87Å
959K26.1Very low28.8Very low211 Ų211141.7 Ų141.792%0.91773%0.725SS**  trans-57.792.3175.3-79.1175173.6172.60111.3A957 S961A957-K959 PolarHBondContact O-N 3.03Å; K959-S961 PolarHBondContact O-N 3.33Å
960I28.1Very low29Very low151 Ų151141.8 Ų141.877%0.77472%0.724SS**  trans-68.8113.5153.8-66.1171000105.8N958 N962N958-I960 PolarHBondContact O-N 2.87Å; I960-N962 PolarHBondContact O-N 2.99Å
961S27.8Very low29.1Very low101 Ų101138.3 Ų138.371%0.70672%0.721SS**  trans-69.7104.2-173.793.20000110.3K959 K963K959-S961 PolarHBondContact O-N 3.33Å; S961-K963 PolarHBondContact O-N 2.96Å
962N31.5Very low29.1Very low119 Ų119134.5 Ų134.564%0.63672%0.718SS**  trans-72.474.2179.6-95.2-27.1000112.3I960 W965I960-N962 PolarHBondContact O-N 2.99Å; N962-W965 PolarHBondContact OD1-NE1 3.09Å
963K28.9Very low29.2Very low180 Ų180132.3 Ų132.378%0.78372%0.721SS**  trans-101.55.9177-89.5-169.8175.8-177.50116.5S961S961-K963 PolarHBondContact O-N 2.96Å
964D28Very low29.4Very low144 Ų144127.9 Ų127.977%0.7772%0.715SS**  trans-102.114.7-176.3-93.1-9.3000115.7
965W42Very low29.5Very low80 Ų80124.4 Ų124.430%0.30371%0.71SS.*  trans-89-12.5-172.4-62.394.3000115.6F740 P742 N962 S967 W968F740-W965 AromaticContact CZ-CH2 3.89Å; F740-W965 HydrophobicContact CZ-CH2 3.89Å; P742-W965 HydrophobicContact CG-CH2 4.25Å; P742-W965 HydrophobicContact CG-CZ3 3.78Å; N962-W965 PolarHBondContact OD1-NE1 3.09Å; W965-S967 PolarHBondContact O-N 3.17Å; W965-S967 VanDerWaalsContact O-N 3.09Å; W965-W968 PolarHBondContact O-N 2.97Å
966D33.5Very low29.5Very low145 Ų145123.1 Ų123.178%0.77571%0.713SS**G310 helixtrans-65.3-17.5-176.1-71.4-29.3000113.7W968 G969D966-W968 PolarHBondContact O-N 2.8Å; D966-G969 PolarHBondContact O-N 2.81Å; D966-G969 VanDerWaalsContact O-N 3.08Å
967S37.3Very low29.6Very low83 Ų83124.8 Ų124.858%0.5871%0.712SS**G310 helixtrans-65.2-6.6176.4178.50000114.5W965W965-S967 PolarHBondContact O-N 3.17Å; W965-S967 VanDerWaalsContact O-N 3.09Å
968W34.6Very low29.5Very low73 Ų73129.4 Ų129.428%0.27772%0.719SS.*G310 helixtrans-88.3-15.3174.2-69.982.1000113.5K841 W965 D966 L970K841-W968 HydrophobicContact CB-CH2 4.24Å; K841-W968 HydrophobicContact CB-CZ3 4.48Å; K841-W968 HydrophobicContact CD-CE3 3.98Å; K841-W968 HydrophobicContact CD-CH2 4.09Å; K841-W968 HydrophobicContact CD-CZ3 3.69Å; W965-W968 PolarHBondContact O-N 2.97Å; D966-W968 PolarHBondContact O-N 2.8Å; W968-L970 PolarHBondContact O-N 3.09Å
969G29.4Very low29.5Very low50 Ų50129.7 Ų129.752%0.51572%0.721SS.*SBendtrans-77.6116.8172.600000111.2D966 S971D966-G969 PolarHBondContact O-N 2.81Å; D966-G969 VanDerWaalsContact O-N 3.08Å; G969-S971 PolarHBondContact O-N 3.46Å; G969-S971 VanDerWaalsContact O-N 3.14Å
970L29.8Very low29.5Very low149 Ų149131.2 Ų131.278%0.7872%0.721SS**  trans-65.9108.2162.1-70.4163.4000106.3W968 D972W968-L970 PolarHBondContact O-N 3.09Å; L970-D972 PolarHBondContact O-N 3.43Å
971S27.2Very low29.4Very low113 Ų113133 Ų13379%0.7973%0.726SS**  trans-62.7122.9166.251.60000107.7G969 S973G969-S971 PolarHBondContact O-N 3.46Å; G969-S971 VanDerWaalsContact O-N 3.14Å; S971-S973 PolarHBondContact O-N 2.75Å
972D27Very low29.5Very low150 Ų150134.1 Ų134.180%0.80273%0.731SS**  trans-5596.6-179.3-73.9-46.1000110.7L970 A974L970-D972 PolarHBondContact O-N 3.43Å; D972-A974 PolarHBondContact O-N 2.91Å
973S26.8Very low29.3Very low126 Ų126136.9 Ų136.988%0.88175%0.745SS**THydrogen-bonded Turntrans-78.460.216851.90000109.6S971S971-S973 PolarHBondContact O-N 2.75Å
974A29Very low29.2Very low83 Ų83133.1 Ų133.169%0.68674%0.741SS**THydrogen-bonded Turntrans-158.117.4-178.900000117.7D972D972-A974 PolarHBondContact O-N 2.91Å
975T25.9Very low29.1Very low122 Ų122133 Ų13375%0.74874%0.74SS**  trans-14864.9172.654.70000113.7
976A27.3Very low28.4Very low100 Ų100138.1 Ų138.183%0.82677%0.765SS**  trans-101.476.5153.800000108Q978A976-Q978 PolarHBondContact O-N 3.04Å; A976-Q978 VanDerWaalsContact O-N 3.09Å
977K25.8Very low28.1Very low198 Ų198140.5 Ų140.586%0.86177%0.774SS**  trans-67.597.4163.4-75.8-179.3176.31790106.9
978Q27.3Very low27.8Very low182 Ų182145.9 Ų145.985%0.8579%0.787SS**  trans-113.6115161-87.9-172.1-1700108.5A976 R980A976-Q978 PolarHBondContact O-N 3.04Å; A976-Q978 VanDerWaalsContact O-N 3.09Å; Q978-R980 PolarHBondContact O-N 3.28Å
979D26.2Very low27.5Very low163 Ų163147.4 Ų147.487%0.87281%0.808SS**  trans-46.1117.6175.5-66.5-55.6000111.9
980R26.8Very low27.5Very low244 Ų244154.3 Ų154.392%0.92183%0.827SS**  trans-132.7116.6155.9-75.6-166.7178-160.1-0.2109.3Q978Q978-R980 PolarHBondContact O-N 3.28Å
981Q24.9Very low27.5Very low187 Ų187152.3 Ų152.387%0.87483%0.832SS**PPolyproline II helixtrans-54.3153.2178.8-82.7168.4-44.900113.2
982P31Very low27.7Very low126 Ų126151.6 Ų151.682%0.81883%0.833SS**PPolyproline II helixtrans-81.7125.6-16532.3-32.3000111.3
983L26.5Very low28Very low177 Ų177148.1 Ų148.193%0.92783%0.832SS**PPolyproline II helixtrans-102.3116.9163.4-81.9165.2000109
984S27.2Very low28.3Very low101 Ų101152.2 Ų152.271%0.70683%0.834SS**PPolyproline II helixtrans-65.3144.5177.351.30000113.6
985D26Very low28.3Very low141 Ų141158.2 Ų158.275%0.75485%0.845SS**  trans73.6125.6140-79.4-8.8000122.7
986K26.6Very low28.6Very low188 Ų188155.3 Ų155.382%0.81784%0.839SS**  trans76.4108.3150.7-66.8170.7-179172.10117.5
987M28.2Very low28.8Very low195 Ų195156.8 Ų156.896%0.96184%0.84SS**  -169.5124114.9-102.9165.8152.500114
988K29.9Very low28.9Very low196 Ų196156.5 Ų156.585%0.85284%0.844SS**  trans-26.7125.6169.9-68.2170.2175.4179.50118.8
989S27.8Very low29.1Very low105 Ų105157.2 Ų157.273%0.73484%0.844SS**  22.4110.6128.663.90000119.8
990H30.1Very low29.2Very low194 Ų194158 Ų15890%0.89885%0.848SS**  trans-125.6106.1145.8-98.6-70.6000109.1A992H990-A992 PolarHBondContact O-N 2.89Å
991A30.6Very low29.6Very low108 Ų108152.2 Ų152.289%0.89384%0.84SS**  trans-79.3109.517700000109.8
992A31.3Very low29.9Very low97 Ų97148.3 Ų148.380%0.80284%0.84SS**  trans-94.7118.3169.300000109.4H990H990-A992 PolarHBondContact O-N 2.89Å
993G33.6Very low30.3Very low77 Ų77148.4 Ų148.479%0.79484%0.837SS**  trans-63.3131.8-172.200000114.2K995G993-K995 PolarHBondContact O-N 2.7Å
994K31.2Very low30.6Very low212 Ų212151.2 Ų151.292%0.92284%0.836SS**  trans-67.3112.6169-72.3177.7174.8178.30109.5G996K994-G996 PolarHBondContact O-N 2.79Å
995K30Very low30.9Very low210 Ų210153.9 Ų153.991%0.91384%0.841SS**  trans-74.5109.2167.1-73.4-175.8176.5-179.30108.7G993G993-K995 PolarHBondContact O-N 2.7Å
996G31.2Very low31.4Very low61 Ų61152.6 Ų152.663%0.62984%0.84SS**PPolyproline II helixtrans-74.1163.4174.400000112.9K994K994-G996 PolarHBondContact O-N 2.79Å
997P32.7Very low32Very low131 Ų131155.2 Ų155.285%0.85186%0.863SS**PPolyproline II helixtrans-75.5136.9-169.95.58.8000112.3K999P997-K999 PolarHBondContact O-N 3.14Å
998M26.9Very low32.2Very low192 Ų192153.3 Ų153.395%0.94686%0.858SS**PPolyproline II helixtrans-58.3120176.1-88.6171.7146.300111.7
999K31.9Very low32.3Very low196 Ų196151 Ų15185%0.85286%0.858SS**  trans-81.3113.5167.4-79.7-178.9173.4-1800109.3P997 T1001P997-K999 PolarHBondContact O-N 3.14Å; K999-T1001 PolarHBondContact O-N 3.07Å
1000L28.5Very low32.5Very low181 Ų181153.6 Ų153.695%0.94887%0.865SS**  trans-73.3101.2167.6-80.5153.2000109
1001T34.6Very low32.7Very low121 Ų121151.2 Ų151.274%0.74286%0.863SS**  trans-85.1113.217242.20000109.8K999 V1003K999-T1001 PolarHBondContact O-N 3.07Å; T1001-V1003 PolarHBondContact O-N 2.86Å
1002A32.7Very low32.8Very low106 Ų106153.9 Ų153.988%0.87686%0.861SS**PPolyproline II helixtrans-69.5120.8168.900000109.7
1003V39.4Very low32.9Very low127 Ų127157.7 Ų157.777%0.7787%0.865SS**PPolyproline II helixtrans-90.5122.7176.5178.30000108.2T1001T1001-V1003 PolarHBondContact O-N 2.86Å
1004R33Very low32.8Very low237 Ų237163.4 Ų163.489%0.89487%0.871SS**PPolyproline II helixtrans-79.6118176.4-154.5178.4-170.4-178.11.5108.1
1005I33.7Very low33Very low157 Ų157159.7 Ų159.781%0.80587%0.867SS**PPolyproline II helixtrans-75.5122.7177.8-57.6172.7000107.4
1006P36.4Very low33.2Very low114 Ų114155.5 Ų155.574%0.7486%0.863SS**PPolyproline II helixtrans-75.4151.8177.732.2-32.7000110.9
1007D37.7Very low33.4Very low243 Ų243164.1 Ų164.1100%1.29988%0.884SS**  trans-38.90-173.1-64.7-45.2000117

Retrieved 1,007 of 1,007 residues in 475.7 ms (Link to these results)

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