G4VRY2_SCHMA Loading...

dolichyl-phosphate-mannose--protein mannosyltransferase

AlphaFold DB , UniProt , Accession G4VRY2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 884 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M72.7Confident87Confident173 Ų17377.5 Ų77.585%0.85237%0.374SS*.  0-78.40-140.8173.78300113.4K3 E4 V5M1-K3 PolarHBondContact O-N 3.24Å; M1-E4 WeakPolarHBondContact CA-OE2 3.41Å; M1-E4 PolarHBondContact N-OE2 2.84Å; M1-E4 WeakPolarHBondContact O-CA 3.3Å; M1-E4 WeakPolarHBondContact O-CB 3.34Å; M1-E4 PolarHBondContact O-N 3.43Å; M1-V5 PolarHBondContact O-N 2.87Å
2W83.2Confident87.6Confident205 Ų20574.5 Ų74.578%0.77737%0.367SS*.Hα-helixtrans-55.7-43.8-172.876.6-44.8000115.3E4 V5 L6W2-E4 VanDerWaalsContact C-N 3.27Å; W2-E4 PolarHBondContact O-N 2.8Å; W2-V5 PolarHBondContact O-N 2.87Å; W2-L6 VanDerWaalsContact O-CB 3.31Å; W2-L6 WeakPolarHBondContact O-CB 3.37Å; W2-L6 PolarHBondContact O-N 3.46Å
3K82.4Confident88.2Confident59 Ų5976.9 Ų76.926%0.25739%0.389SS..Hα-helixtrans-61.3-31.9173.7-73.2-172.6176.8-168.50113.6M1 L7 K112 F116M1-K3 PolarHBondContact O-N 3.24Å; K3-L7 VanDerWaalsContact O-CG 3.31Å; K3-L7 WeakPolarHBondContact O-CG 3.29Å; K3-L7 PolarHBondContact O-N 3.28Å; K3-K112 PolarHBondContact NZ-O 3.32Å; K3-F116 HydrophobicContact CB-CD2 3.91Å; K3-F116 HydrophobicContact CB-CE2 3.91Å; K3-F116 HydrophobicContact CD-CB 4.43Å; K3-F116 HydrophobicContact CD-CD2 3.96Å; K3-F116 HydrophobicContact CD-CE2 4.43Å; K3-F116 HydrophobicContact CD-CG 4.21Å; K3-F116 HydrophobicContact CG-CD2 4.08Å; K3-F116 HydrophobicContact CG-CE2 4.08Å
4E85.8Confident88.9Confident42 Ų4271.6 Ų71.620%0.19636%0.362CS..Hα-helixtrans-74.4-45.2179.7-63.7154164.500109.9M1 W2 L6 L7 C8 F100 F103 K104M1-E4 WeakPolarHBondContact CA-OE2 3.41Å; M1-E4 PolarHBondContact N-OE2 2.84Å; M1-E4 WeakPolarHBondContact O-CA 3.3Å; M1-E4 WeakPolarHBondContact O-CB 3.34Å; M1-E4 PolarHBondContact O-N 3.43Å; W2-E4 VanDerWaalsContact C-N 3.27Å; W2-E4 PolarHBondContact O-N 2.8Å; E4-L6 VanDerWaalsContact C-N 3.31Å; E4-L6 PolarHBondContact O-N 3.29Å; E4-L7 PolarHBondContact O-N 2.79Å; E4-C8 PolarHBondContact O-N 3.42Å; E4-C8 VanDerWaalsContact O-N 3.1Å; E4-C8 PolarHBondContact O-SG 3.28Å; E4-F100 HydrophobicContact CB-CD2 4.16Å; E4-F100 HydrophobicContact CB-CE2 4.03Å; E4-F100 HydrophobicContact CG-CD2 4.3Å; E4-F100 HydrophobicContact CG-CE2 3.94Å; E4-F103 HydrophobicContact CG-CD1 4.06Å; E4-F103 HydrophobicContact CG-CE1 3.84Å; E4-K104 IonicContact OE1-NZ 3.76Å; E4-K104 PolarHBondContact OE1-NZ 3.19Å
5V84.6Confident89.5Confident81 Ų8166.9 Ų66.949%0.49134%0.338SS..Hα-helixtrans-59.6-44.6173.2176.70000110.5M1 W2 L7 C8 L9M1-V5 PolarHBondContact O-N 2.87Å; W2-V5 PolarHBondContact O-N 2.87Å; V5-L7 VanDerWaalsContact C-N 3.34Å; V5-L7 PolarHBondContact O-N 3.34Å; V5-C8 PolarHBondContact O-N 3.36Å; V5-L9 HydrophobicContact CG1-CD1 3.86Å; V5-L9 HydrophobicContact CG1-CG 4.33Å; V5-L9 WeakPolarHBondContact O-CB 3.33Å; V5-L9 WeakPolarHBondContact O-CG 3.37Å; V5-L9 PolarHBondContact O-N 3.07Å
6L89.9Confident90Very high91 Ų9171.8 Ų71.848%0.47636%0.356SS..Hα-helixtrans-61.2-40.3177.8-176.461.9000112.2W2 E4 F10 F116W2-L6 VanDerWaalsContact O-CB 3.31Å; W2-L6 WeakPolarHBondContact O-CB 3.37Å; W2-L6 PolarHBondContact O-N 3.46Å; E4-L6 VanDerWaalsContact C-N 3.31Å; E4-L6 PolarHBondContact O-N 3.29Å; L6-F10 WeakPolarHBondContact O-CB 3.27Å; L6-F10 PolarHBondContact O-N 3.47Å; L6-F116 HydrophobicContact CD2-CE2 4.39Å; L6-F116 HydrophobicContact CD2-CZ 3.78Å; L6-F116 HydrophobicContact CG-CZ 4.4Å
7L91.5Very high90.5Very high1 Ų170.6 Ų70.61%0.00535%0.352CS..Hα-helixtrans-63.2-46.9175.8-79.3169.4000111.9K3 E4 V5 L9 F10 S11 V99 F103 F116 I120K3-L7 VanDerWaalsContact O-CG 3.31Å; K3-L7 WeakPolarHBondContact O-CG 3.29Å; K3-L7 PolarHBondContact O-N 3.28Å; E4-L7 PolarHBondContact O-N 2.79Å; V5-L7 VanDerWaalsContact C-N 3.34Å; V5-L7 PolarHBondContact O-N 3.34Å; L7-L9 PolarHBondContact O-N 3.18Å; L7-F10 PolarHBondContact O-N 3.23Å; L7-S11 WeakPolarHBondContact O-CB 3.4Å; L7-S11 PolarHBondContact O-N 2.95Å; L7-S11 PolarHBondContact O-OG 3.39Å; L7-S11 VanDerWaalsContact O-OG 3.11Å; L7-V99 HydrophobicContact CB-CG1 4.26Å; L7-V99 HydrophobicContact CD2-CG1 4.27Å; L7-F103 HydrophobicContact CD1-CB 3.72Å; L7-F103 HydrophobicContact CD1-CD1 3.85Å; L7-F103 HydrophobicContact CD1-CD2 3.82Å; L7-F103 HydrophobicContact CD1-CE1 4.42Å; L7-F103 HydrophobicContact CD1-CE2 4.4Å; L7-F103 HydrophobicContact CD1-CG 3.51Å; L7-F116 HydrophobicContact CD1-CD2 4.03Å; L7-F116 HydrophobicContact CD1-CE2 4.28Å; L7-F116 HydrophobicContact CD2-CD2 4.18Å; L7-F116 HydrophobicContact CD2-CE2 3.99Å; L7-F116 HydrophobicContact CG-CD2 3.99Å; L7-F116 HydrophobicContact CG-CE2 3.75Å; L7-I120 HydrophobicContact CD2-CG1 3.58Å
8C87.3Confident90.9Very high41 Ų4166.7 Ų66.728%0.27733%0.332SS..Hα-helixtrans-65.1-39179.5-64.80000112.5E4 V5 S11 S12E4-C8 PolarHBondContact O-N 3.42Å; E4-C8 VanDerWaalsContact O-N 3.1Å; E4-C8 PolarHBondContact O-SG 3.28Å; V5-C8 PolarHBondContact O-N 3.36Å; C8-S11 WeakPolarHBondContact CA-OG 3.31Å; C8-S11 PolarHBondContact O-OG 3.47Å; C8-S12 WeakPolarHBondContact O-CB 3.4Å; C8-S12 PolarHBondContact O-N 3.44Å; C8-S12 VanDerWaalsContact O-N 3.14Å; C8-S12 PolarHBondContact O-OG 3.35Å
9L91.4Very high91.2Very high103 Ų10365.8 Ų65.854%0.53933%0.329SS..Hα-helixtrans-66.6-44.5174.4-71.2174000110.7V5 L7 S12 V13V5-L9 HydrophobicContact CG1-CD1 3.86Å; V5-L9 HydrophobicContact CG1-CG 4.33Å; V5-L9 WeakPolarHBondContact O-CB 3.33Å; V5-L9 WeakPolarHBondContact O-CG 3.37Å; V5-L9 PolarHBondContact O-N 3.07Å; L7-L9 PolarHBondContact O-N 3.18Å; L9-S12 PolarHBondContact O-N 3.49Å; L9-V13 VanDerWaalsContact O-CG2 3.26Å; L9-V13 WeakPolarHBondContact O-CG2 3.46Å; L9-V13 PolarHBondContact O-N 2.95Å
10F94.3Very high91.5Very high56 Ų5666.1 Ų66.125%0.24635%0.349CS..Hα-helixtrans-61.2-47.1179.3-178.2-99.3000112.1L6 L7 S12 V13 I14 I120 A124 I462 V466L6-F10 WeakPolarHBondContact O-CB 3.27Å; L6-F10 PolarHBondContact O-N 3.47Å; L7-F10 PolarHBondContact O-N 3.23Å; F10-S12 VanDerWaalsContact C-N 3.28Å; F10-S12 PolarHBondContact O-N 3.34Å; F10-V13 PolarHBondContact O-N 3.16Å; F10-I14 HydrophobicContact CD1-CD1 3.56Å; F10-I14 HydrophobicContact CE1-CD1 3.22Å; F10-I14 HydrophobicContact CE1-CG1 4.33Å; F10-I14 HydrophobicContact CE2-CD1 4.32Å; F10-I14 HydrophobicContact CG-CD1 4.25Å; F10-I14 HydrophobicContact CZ-CD1 3.66Å; F10-I14 HydrophobicContact CZ-CG1 4.39Å; F10-I14 WeakPolarHBondContact O-CD1 3.31Å; F10-I14 WeakPolarHBondContact O-CG1 3.45Å; F10-I14 PolarHBondContact O-N 2.95Å; F10-I14 VanDerWaalsContact O-N 3.17Å; F10-I120 HydrophobicContact CD1-CG1 4.48Å; F10-I120 HydrophobicContact CE1-CB 4.39Å; F10-I120 HydrophobicContact CE1-CG1 4.43Å; F10-I120 HydrophobicContact CE1-CG2 3.68Å; F10-I120 HydrophobicContact CZ-CG2 3.9Å; F10-A124 HydrophobicContact CE1-CB 4.19Å; F10-A124 HydrophobicContact CZ-CB 4.46Å; F10-I462 HydrophobicContact CZ-CG2 4.16Å; F10-V466 HydrophobicContact CE1-CG2 4.42Å; F10-V466 HydrophobicContact CE2-CG2 4.22Å; F10-V466 HydrophobicContact CZ-CG2 3.57Å
11S93.6Very high91.8Very high0 Ų063.3 Ų63.30%034%0.335CS..Hα-helixtrans-60.5-38.8175.657.40000112L7 C8 Y15 S96 S123L7-S11 WeakPolarHBondContact O-CB 3.4Å; L7-S11 PolarHBondContact O-N 2.95Å; L7-S11 PolarHBondContact O-OG 3.39Å; L7-S11 VanDerWaalsContact O-OG 3.11Å; C8-S11 WeakPolarHBondContact CA-OG 3.31Å; C8-S11 PolarHBondContact O-OG 3.47Å; S11-Y15 WeakPolarHBondContact O-CD2 3.27Å; S11-S96 WeakPolarHBondContact OG-CA 3.39Å; S11-S96 VanDerWaalsContact OG-CB 3.27Å; S11-S96 WeakPolarHBondContact OG-CB 3.42Å; S11-S96 PolarHBondContact OG-OG 3.01Å; S11-S123 VanDerWaalsContact CA-OG 3.26Å; S11-S123 WeakPolarHBondContact CA-OG 3.27Å; S11-S123 WeakPolarHBondContact CB-OG 3.28Å
12S94.3Very high93Very high42 Ų4256.1 Ų56.129%0.29431%0.305SS..Hα-helixtrans-68.6-40.7178-57.20000112.6C8 L9 F10 Y15 F16 S96C8-S12 WeakPolarHBondContact O-CB 3.4Å; C8-S12 PolarHBondContact O-N 3.44Å; C8-S12 VanDerWaalsContact O-N 3.14Å; C8-S12 PolarHBondContact O-OG 3.35Å; L9-S12 PolarHBondContact O-N 3.49Å; F10-S12 VanDerWaalsContact C-N 3.28Å; F10-S12 PolarHBondContact O-N 3.34Å; S12-Y15 PolarHBondContact O-N 3.29Å; S12-F16 PolarHBondContact O-N 3.48Å; S12-S96 PolarHBondContact OG-OG 3.47Å
13V96.3Very high93.6Very high106 Ų10647.9 Ų47.964%0.64228%0.275SS*.Hα-helixtrans-66.6-40.9-178.6168.90000111.9L9 F10 Y15 F16L9-V13 VanDerWaalsContact O-CG2 3.26Å; L9-V13 WeakPolarHBondContact O-CG2 3.46Å; L9-V13 PolarHBondContact O-N 2.95Å; F10-V13 PolarHBondContact O-N 3.16Å; V13-Y15 PolarHBondContact O-N 3.21Å; V13-F16 WeakPolarHBondContact O-CB 3.49Å; V13-F16 PolarHBondContact O-N 2.99Å
14I97.5Very high94.2Very high3 Ų345.1 Ų45.12%0.01526%0.263CS..Hα-helixtrans-59.9-37.3-179.9-67.6160.1000111.8F10 A124 V466 T469 V470 N473F10-I14 HydrophobicContact CD1-CD1 3.56Å; F10-I14 HydrophobicContact CE1-CD1 3.22Å; F10-I14 HydrophobicContact CE1-CG1 4.33Å; F10-I14 HydrophobicContact CE2-CD1 4.32Å; F10-I14 HydrophobicContact CG-CD1 4.25Å; F10-I14 HydrophobicContact CZ-CD1 3.66Å; F10-I14 HydrophobicContact CZ-CG1 4.39Å; F10-I14 WeakPolarHBondContact O-CD1 3.31Å; F10-I14 WeakPolarHBondContact O-CG1 3.45Å; F10-I14 PolarHBondContact O-N 2.95Å; F10-I14 VanDerWaalsContact O-N 3.17Å; I14-A124 HydrophobicContact CD1-CB 3.89Å; I14-V466 HydrophobicContact CD1-CG2 4.09Å; I14-V466 HydrophobicContact CG1-CG1 4.23Å; I14-V466 HydrophobicContact CG1-CG2 4.18Å; I14-T469 HydrophobicContact CG2-CG2 3.45Å; I14-T469 VanDerWaalsContact CG2-CG2 3.45Å; I14-V470 HydrophobicContact CG2-CG2 4.34Å; I14-V470 WeakPolarHBondContact O-CG2 3.47Å; I14-N473 PolarHBondContact O-ND2 3.26Å
15Y98.3Very high94.5Very high0 Ų045.1 Ų45.10%026%0.263CS..THydrogen-bonded Turntrans-98.94.9-178.2-68.5-81.3000113.3S11 S12 V13 N17 S18 I92 H95 H128 V132 T469 N473S11-Y15 WeakPolarHBondContact O-CD2 3.27Å; S12-Y15 PolarHBondContact O-N 3.29Å; V13-Y15 PolarHBondContact O-N 3.21Å; Y15-N17 PolarHBondContact O-N 3.4Å; Y15-N17 VanDerWaalsContact O-N 3.17Å; Y15-S18 VanDerWaalsContact O-CB 3.26Å; Y15-S18 WeakPolarHBondContact O-CB 3.36Å; Y15-S18 PolarHBondContact O-N 2.65Å; Y15-S18 PolarHBondContact O-OG 3.44Å; Y15-I92 WeakPolarHBondContact O-CD1 3.4Å; Y15-H95 AromaticContact CE2-CD2 3.85Å; Y15-H95 AromaticContact CE2-NE2 3.72Å; Y15-H128 WeakPolarHBondContact OH-CB 3.41Å; Y15-V132 HydrophobicContact CD1-CB 3.99Å; Y15-V132 HydrophobicContact CD1-CG1 3.57Å; Y15-V132 HydrophobicContact CD2-CG1 3.97Å; Y15-V132 HydrophobicContact CE1-CB 3.66Å; Y15-V132 HydrophobicContact CE1-CG1 3.75Å; Y15-V132 HydrophobicContact CE1-CG2 4.21Å; Y15-V132 HydrophobicContact CE2-CB 4.45Å; Y15-V132 HydrophobicContact CE2-CG1 4.13Å; Y15-V132 HydrophobicContact CE2-CG2 4.32Å; Y15-V132 HydrophobicContact CG-CG1 3.69Å; Y15-T469 HydrophobicContact CD1-CG2 4.42Å; Y15-T469 HydrophobicContact CE1-CG2 3.64Å; Y15-T469 HydrophobicContact CE2-CG2 4.23Å; Y15-T469 WeakPolarHBondContact OH-CG2 3.5Å; Y15-N473 WeakPolarHBondContact CD1-OD1 3.4Å; Y15-N473 WeakPolarHBondContact CE1-OD1 3.47Å
16F97.8Very high95Very high145 Ų14543 Ų4364%0.63625%0.248SC*.G310 helixtrans-57.1-37.6-175.6-176.2-99.1000112.8S12 V13 S18 L19S12-F16 PolarHBondContact O-N 3.48Å; V13-F16 WeakPolarHBondContact O-CB 3.49Å; V13-F16 PolarHBondContact O-N 2.99Å; F16-S18 PolarHBondContact O-N 2.87Å; F16-L19 HydrophobicContact CD2-CD1 3.88Å; F16-L19 HydrophobicContact CE2-CD1 3.86Å; F16-L19 WeakPolarHBondContact O-CB 3.44Å; F16-L19 WeakPolarHBondContact O-CG 3.18Å; F16-L19 PolarHBondContact O-N 3.35Å
17N97.5Very high95.3Very high52 Ų5238.7 Ų38.728%0.27823%0.226SC..G310 helixtrans-70.3-13.6177.670.1-33.5000114.2Y15 L19 G20 V470 N473Y15-N17 PolarHBondContact O-N 3.4Å; Y15-N17 VanDerWaalsContact O-N 3.17Å; N17-L19 PolarHBondContact O-N 2.97Å; N17-G20 PolarHBondContact O-N 3.22Å; N17-V470 PolarHBondContact ND2-O 2.86Å; N17-N473 WeakPolarHBondContact OD1-CB 3.48Å; N17-N473 PolarHBondContact OD1-ND2 3.4Å
18S97.7Very high95.5Very high0 Ų039.1 Ų39.10%023%0.229CC..G310 helixtrans-68.4-20.5172.170.20000112.9Y15 F16 G20 C21 H88Y15-S18 VanDerWaalsContact O-CB 3.26Å; Y15-S18 WeakPolarHBondContact O-CB 3.36Å; Y15-S18 PolarHBondContact O-N 2.65Å; Y15-S18 PolarHBondContact O-OG 3.44Å; F16-S18 PolarHBondContact O-N 2.87Å; S18-G20 PolarHBondContact O-N 3.18Å; S18-G20 VanDerWaalsContact O-N 3.15Å; S18-C21 VanDerWaalsContact O-CB 3.28Å; S18-C21 WeakPolarHBondContact O-CB 3.39Å; S18-C21 PolarHBondContact O-N 3.33Å; S18-H88 PolarHBondContact O-CD2 3.3Å
19L97.7Very high95.8Very high51 Ų5139.9 Ų39.927%0.26723%0.234SC..G310 helixtrans-61.5-23.5177.3-64.6178.5000113.4F16 N17 S85 H88 A89 I92F16-L19 HydrophobicContact CD2-CD1 3.88Å; F16-L19 HydrophobicContact CE2-CD1 3.86Å; F16-L19 WeakPolarHBondContact O-CB 3.44Å; F16-L19 WeakPolarHBondContact O-CG 3.18Å; F16-L19 PolarHBondContact O-N 3.35Å; N17-L19 PolarHBondContact O-N 2.97Å; L19-S85 WeakPolarHBondContact O-CB 3.47Å; L19-H88 HydrophobicContact CD2-CB 4.2Å; L19-A89 HydrophobicContact CD2-CB 3.66Å; L19-I92 HydrophobicContact CD2-CD1 3.69Å; L19-I92 HydrophobicContact CG-CD1 3.92Å
20G96.8Very high96.1Very high71 Ų7135 Ų3573%0.73221%0.209SC*.G310 helixtrans-91.65.7175.500000114.6N17 S18N17-G20 PolarHBondContact O-N 3.22Å; S18-G20 PolarHBondContact O-N 3.18Å; S18-G20 VanDerWaalsContact O-N 3.15Å
21C97.8Very high96.2Very high7 Ų732.3 Ų32.35%0.04720%0.197CC..  trans-80154.4176.3-63.70000111.5S18 P84 H88 N473 W476S18-C21 VanDerWaalsContact O-CB 3.28Å; S18-C21 WeakPolarHBondContact O-CB 3.39Å; S18-C21 PolarHBondContact O-N 3.33Å; C21-P84 WeakPolarHBondContact O-CB 3.33Å; C21-H88 PolarHBondContact O-NE2 2.92Å; C21-N473 PolarHBondContact SG-O 2.98Å; C21-W476 WeakPolarHBondContact CB-O 3.15Å
22G96.7Very high96.2Very high23 Ų2338.1 Ų38.124%0.23722%0.219CC..  trans-91.4177.9172.300000112.8V24 S477G22-V24 PolarHBondContact O-N 2.9Å; G22-S477 PolarHBondContact N-O 3.27Å
23F97.4Very high96.2Very high31 Ų3140 Ų4014%0.13623%0.226CC..  trans-71.9120.4164.1-60.4-52.4000109.3D27 V28 I31 L82 P84 Y87 V135F23-D27 HydrophobicContact CB-CB 3.95Å; F23-D27 HydrophobicContact CD1-CB 4.12Å; F23-D27 HydrophobicContact CG-CB 4.48Å; F23-V28 HydrophobicContact CB-CG2 4.39Å; F23-I31 HydrophobicContact CD1-CB 4.46Å; F23-I31 HydrophobicContact CD1-CG2 4.41Å; F23-I31 HydrophobicContact CE1-CB 4.3Å; F23-I31 HydrophobicContact CE1-CG1 4.39Å; F23-I31 HydrophobicContact CE1-CG2 3.82Å; F23-I31 HydrophobicContact CE2-CG2 4.07Å; F23-I31 HydrophobicContact CZ-CB 4.49Å; F23-I31 HydrophobicContact CZ-CG2 3.63Å; F23-L82 HydrophobicContact CE2-CB 4.33Å; F23-L82 HydrophobicContact CE2-CD2 4.48Å; F23-L82 VanDerWaalsContact CE2-O 3.25Å; F23-L82 WeakPolarHBondContact CE2-O 3.3Å; F23-P84 HydrophobicContact CD1-CB 4.22Å; F23-P84 HydrophobicContact CD1-CG 4.44Å; F23-P84 HydrophobicContact CD2-CG 3.92Å; F23-P84 HydrophobicContact CE1-CB 4.03Å; F23-P84 HydrophobicContact CE1-CG 4.36Å; F23-P84 HydrophobicContact CE2-CB 4.39Å; F23-P84 HydrophobicContact CE2-CG 3.86Å; F23-P84 HydrophobicContact CG-CB 4.47Å; F23-P84 HydrophobicContact CG-CG 4.22Å; F23-P84 HydrophobicContact CZ-CB 4.11Å; F23-P84 HydrophobicContact CZ-CG 4.07Å; F23-Y87 HydrophobicContact CE1-CD1 4.41Å; F23-Y87 AromaticContact CE1-CD2 3.87Å; F23-Y87 HydrophobicContact CE1-CD2 3.87Å; F23-Y87 HydrophobicContact CE1-CE2 4.32Å; F23-Y87 AromaticContact CE1-CG 3.92Å; F23-Y87 HydrophobicContact CE1-CG 3.92Å; F23-Y87 AromaticContact CZ-CD2 3.65Å; F23-Y87 HydrophobicContact CZ-CD2 3.65Å; F23-Y87 AromaticContact CZ-CE2 3.72Å; F23-Y87 HydrophobicContact CZ-CE2 3.72Å; F23-Y87 HydrophobicContact CZ-CG 4.16Å; F23-V135 HydrophobicContact CD1-CG2 4.15Å; F23-V135 HydrophobicContact CE1-CG2 4.19Å
24V94.8Very high96.2Very high2 Ų235 Ų351%0.01220%0.196CC..  trans-127.8146.6-177.4-620000111G22 D26 D27 W476 E479 L482G22-V24 PolarHBondContact O-N 2.9Å; V24-D26 PolarHBondContact O-N 3.44Å; V24-D27 VanDerWaalsContact O-CB 3.32Å; V24-D27 WeakPolarHBondContact O-CB 3.32Å; V24-D27 PolarHBondContact O-N 3.44Å; V24-W476 HydrophobicContact CG2-CB 4.5Å; V24-W476 HydrophobicContact CG2-CD2 4.46Å; V24-W476 HydrophobicContact CG2-CE3 3.54Å; V24-W476 HydrophobicContact CG2-CZ3 4.13Å; V24-E479 HydrophobicContact CB-CG 4.3Å; V24-E479 HydrophobicContact CG1-CG 4.43Å; V24-L482 HydrophobicContact CB-CD2 4.18Å; V24-L482 HydrophobicContact CG2-CD2 3.89Å
25F92.4Very high96.1Very high42 Ų4240 Ų4018%0.18422%0.219CC..THydrogen-bonded Turntrans55.4-123.3173.1-165.4-127.4000111.9D27 V28 D324 L482 F483F25-D27 PolarHBondContact O-N 2.96Å; F25-D27 VanDerWaalsContact O-N 3.13Å; F25-V28 WeakPolarHBondContact O-CB 3.44Å; F25-V28 PolarHBondContact O-N 3.2Å; F25-V28 VanDerWaalsContact O-N 3.11Å; F25-D324 HydrophobicContact CZ-CB 4.36Å; F25-L482 HydrophobicContact CB-CD2 3.67Å; F25-L482 HydrophobicContact CG-CD2 4.31Å; F25-F483 AromaticContact CD2-CE1 3.57Å; F25-F483 HydrophobicContact CD2-CE1 3.57Å; F25-F483 AromaticContact CD2-CZ 3.71Å; F25-F483 HydrophobicContact CD2-CZ 3.71Å; F25-F483 AromaticContact CE2-CE1 3.89Å; F25-F483 HydrophobicContact CE2-CE1 3.89Å; F25-F483 HydrophobicContact CE2-CZ 4.29Å; F25-F483 HydrophobicContact CG-CE1 4.39Å
26D94Very high96Very high36 Ų3640.2 Ų40.219%0.19322%0.22CC..Hα-helixtrans-58.1-25.9179.9-74.2-11.5000113.3V24 V28 S29 A30 W52 V136V24-D26 PolarHBondContact O-N 3.44Å; D26-V28 PolarHBondContact O-N 3.31Å; D26-S29 PolarHBondContact O-N 3.44Å; D26-A30 WeakPolarHBondContact O-CB 3.42Å; D26-A30 PolarHBondContact O-N 3.13Å; D26-W52 HydrophobicContact CB-CH2 3.74Å; D26-W52 HydrophobicContact CB-CZ3 3.86Å; D26-W52 WeakPolarHBondContact O-CZ3 3.41Å; D26-V136 HydrophobicContact CB-CG1 4.09Å; D26-V136 HydrophobicContact CB-CG2 3.87Å
27D96.9Very high96Very high1 Ų133.3 Ų33.31%0.00519%0.189CC..Hα-helixtrans-63.1-33.8178.4-62.6-20.2000111.8F23 V24 F25 I31 V135 V136F23-D27 HydrophobicContact CB-CB 3.95Å; F23-D27 HydrophobicContact CD1-CB 4.12Å; F23-D27 HydrophobicContact CG-CB 4.48Å; V24-D27 VanDerWaalsContact O-CB 3.32Å; V24-D27 WeakPolarHBondContact O-CB 3.32Å; V24-D27 PolarHBondContact O-N 3.44Å; F25-D27 PolarHBondContact O-N 2.96Å; F25-D27 VanDerWaalsContact O-N 3.13Å; D27-I31 WeakPolarHBondContact O-CB 3.43Å; D27-I31 WeakPolarHBondContact O-CG1 3.49Å; D27-I31 PolarHBondContact O-N 3Å; D27-V135 HydrophobicContact CB-CB 4.31Å; D27-V135 WeakPolarHBondContact OD1-CA 3.4Å; D27-V135 WeakPolarHBondContact OD1-CB 3.46Å; D27-V135 PolarHBondContact OD1-N 3.47Å; D27-V135 PolarHBondContact OD2-N 2.9Å; D27-V136 WeakPolarHBondContact OD1-CG1 3.45Å; D27-V136 PolarHBondContact OD1-N 3.27Å
28V95.1Very high95.8Very high10 Ų1032.7 Ų32.76%0.06118%0.183CC..Iπ-helixtrans-61.4-50.5178.3171.80000110.1F23 F25 D26 R32 D33F23-V28 HydrophobicContact CB-CG2 4.39Å; F25-V28 WeakPolarHBondContact O-CB 3.44Å; F25-V28 PolarHBondContact O-N 3.2Å; F25-V28 VanDerWaalsContact O-N 3.11Å; D26-V28 PolarHBondContact O-N 3.31Å; V28-R32 CarbonylContact O-C 3.57Å; V28-R32 WeakPolarHBondContact O-CA 3.37Å; V28-R32 VanDerWaalsContact O-CB 3.32Å; V28-R32 WeakPolarHBondContact O-CB 3.47Å; V28-R32 PolarHBondContact O-N 3.3Å; V28-D33 WeakPolarHBondContact CG1-OD2 3.43Å; V28-D33 PolarHBondContact O-N 3.41Å
29S94Very high95.6Very high57 Ų5737.5 Ų37.540%0.39922%0.215SC..Iπ-helixtrans-69.7-41.1179.9-63.20000112.1D26 N34D26-S29 PolarHBondContact O-N 3.44Å; S29-N34 WeakPolarHBondContact O-CB 3.5Å; S29-N34 PolarHBondContact O-N 2.96Å
30A96.6Very high95.3Very high0 Ų040 Ų400%024%0.236CC..Iπ-helixtrans-75.8-25.5-175.700000114.3D26 N34 F51 W52 V136D26-A30 WeakPolarHBondContact O-CB 3.42Å; D26-A30 PolarHBondContact O-N 3.13Å; A30-N34 WeakPolarHBondContact O-CB 3.48Å; A30-N34 PolarHBondContact O-ND2 3.35Å; A30-N34 VanDerWaalsContact O-ND2 3.09Å; A30-F51 HydrophobicContact CB-CE1 4.09Å; A30-F51 HydrophobicContact CB-CZ 4.47Å; A30-W52 HydrophobicContact CB-CE3 3.84Å; A30-W52 HydrophobicContact CB-CZ3 3.84Å; A30-V136 HydrophobicContact CB-CG1 3.43Å; A30-V136 VanDerWaalsContact CB-CG1 3.43Å
31I97.5Very high95.1Very high0 Ų037.8 Ų37.80%021%0.209CC..Iπ-helixtrans-119.5-59.8-172.7-50.4-61.3000111.5F23 D27 L37 R38 F73 L82 Y87 V135F23-I31 HydrophobicContact CD1-CB 4.46Å; F23-I31 HydrophobicContact CD1-CG2 4.41Å; F23-I31 HydrophobicContact CE1-CB 4.3Å; F23-I31 HydrophobicContact CE1-CG1 4.39Å; F23-I31 HydrophobicContact CE1-CG2 3.82Å; F23-I31 HydrophobicContact CE2-CG2 4.07Å; F23-I31 HydrophobicContact CZ-CB 4.49Å; F23-I31 HydrophobicContact CZ-CG2 3.63Å; D27-I31 WeakPolarHBondContact O-CB 3.43Å; D27-I31 WeakPolarHBondContact O-CG1 3.49Å; D27-I31 PolarHBondContact O-N 3Å; I31-L37 HydrophobicContact CB-CD2 4.17Å; I31-L37 HydrophobicContact CD1-CD2 4.02Å; I31-L37 HydrophobicContact CG2-CD2 3.63Å; I31-R38 PolarHBondContact O-NH1 3.36Å; I31-F73 HydrophobicContact CD1-CB 3.9Å; I31-F73 HydrophobicContact CD1-CD1 3.54Å; I31-F73 HydrophobicContact CD1-CD2 3.53Å; I31-F73 HydrophobicContact CD1-CE1 3.85Å; I31-F73 HydrophobicContact CD1-CE2 3.82Å; I31-F73 HydrophobicContact CD1-CG 3.4Å; I31-F73 VanDerWaalsContact CD1-CG 3.4Å; I31-F73 HydrophobicContact CD1-CZ 3.99Å; I31-L82 HydrophobicContact CG2-CD2 4.34Å; I31-Y87 HydrophobicContact CD1-CD1 4.27Å; I31-Y87 HydrophobicContact CD1-CE1 4.06Å; I31-Y87 HydrophobicContact CG2-CD1 4.39Å; I31-Y87 HydrophobicContact CG2-CE1 3.74Å; I31-Y87 HydrophobicContact CG2-CE2 4.48Å; I31-V135 HydrophobicContact CD1-CG1 4.11Å; I31-V135 HydrophobicContact CG1-CG1 4.09Å
32R94.4Very high95Very high121 Ų12140.2 Ų40.246%0.45723%0.226SC..Iπ-helixtrans-69.9-44.5-173.1-169.4-172.971-1671.3111.3V28 R38 L82V28-R32 CarbonylContact O-C 3.57Å; V28-R32 WeakPolarHBondContact O-CA 3.37Å; V28-R32 VanDerWaalsContact O-CB 3.32Å; V28-R32 WeakPolarHBondContact O-CB 3.47Å; V28-R32 PolarHBondContact O-N 3.3Å; R32-R38 PolarHBondContact O-NH2 2.87Å; R32-L82 HydrophobicContact CG-CD1 4.37Å
33D94.1Very high94.8Very high82 Ų8244.1 Ų44.144%0.43924%0.24SC..SBendtrans-95.2-14.8-173.2-55.4-17.7000111.8V28 Q35V28-D33 WeakPolarHBondContact CG1-OD2 3.43Å; V28-D33 PolarHBondContact O-N 3.41Å; D33-Q35 PolarHBondContact O-N 2.9Å; D33-Q35 PolarHBondContact O-NE2 3.19Å
34N96Very high94.7Very high2 Ų247 Ų471%0.01126%0.261CS..  trans-72.8117.1-179.6-170.6-11000113.2S29 A30 D36 L37 R38 G53S29-N34 WeakPolarHBondContact O-CB 3.5Å; S29-N34 PolarHBondContact O-N 2.96Å; A30-N34 WeakPolarHBondContact O-CB 3.48Å; A30-N34 PolarHBondContact O-ND2 3.35Å; A30-N34 VanDerWaalsContact O-ND2 3.09Å; N34-D36 VanDerWaalsContact C-N 3.3Å; N34-D36 PolarHBondContact O-N 2.88Å; N34-D36 VanDerWaalsContact OD1-CB 3.27Å; N34-D36 WeakPolarHBondContact OD1-CB 3.11Å; N34-D36 PolarHBondContact OD1-N 3.04Å; N34-L37 HydrophobicContact CB-CD1 4.22Å; N34-L37 PolarHBondContact O-N 2.87Å; N34-R38 PolarHBondContact O-NH1 2.84Å; N34-G53 WeakPolarHBondContact OD1-CA 3.41Å
35Q94.5Very high94.7Very high108 Ų10849.5 Ų49.551%0.50527%0.272SS..G310 helixtrans-73.4-17.8179.7-61.2-54.2-52.300113.7D33 L37 R38 T41D33-Q35 PolarHBondContact O-N 2.9Å; D33-Q35 PolarHBondContact O-NE2 3.19Å; Q35-L37 PolarHBondContact O-N 3.26Å; Q35-L37 VanDerWaalsContact O-N 3.12Å; Q35-R38 WeakPolarHBondContact O-CB 3.15Å; Q35-R38 PolarHBondContact O-N 3.45Å; Q35-T41 WeakPolarHBondContact O-CB 3.34Å; Q35-T41 PolarHBondContact O-OG1 2.73Å
36D96.7Very high94.8Very high3 Ų347.6 Ų47.62%0.01626%0.264CS..G310 helixtrans-64.7-17.8177.5-72.7-10000112.9N34 L46 N49 G53 V70 R74N34-D36 VanDerWaalsContact C-N 3.3Å; N34-D36 PolarHBondContact O-N 2.88Å; N34-D36 VanDerWaalsContact OD1-CB 3.27Å; N34-D36 WeakPolarHBondContact OD1-CB 3.11Å; N34-D36 PolarHBondContact OD1-N 3.04Å; D36-L46 HydrophobicContact CB-CD1 3.98Å; D36-L46 HydrophobicContact CB-CG 4.15Å; D36-N49 PolarHBondContact OD1-ND2 3.33Å; D36-N49 WeakPolarHBondContact OD2-CB 3.45Å; D36-N49 PolarHBondContact OD2-ND2 2.77Å; D36-G53 WeakPolarHBondContact OD2-CA 3.34Å; D36-V70 HydrophobicContact CB-CG1 3.84Å; D36-R74 PolarHBondContact O-NH1 2.85Å
37L96.6Very high94.8Very high0 Ų050 Ų500%027%0.273CS..G310 helixtrans-82.1-15.8174.7-81.966.2000112.7I31 N34 Q35 V70 F73 R74 F77 Y87I31-L37 HydrophobicContact CB-CD2 4.17Å; I31-L37 HydrophobicContact CD1-CD2 4.02Å; I31-L37 HydrophobicContact CG2-CD2 3.63Å; N34-L37 HydrophobicContact CB-CD1 4.22Å; N34-L37 PolarHBondContact O-N 2.87Å; Q35-L37 PolarHBondContact O-N 3.26Å; Q35-L37 VanDerWaalsContact O-N 3.12Å; L37-V70 HydrophobicContact CD1-CG1 4.27Å; L37-F73 HydrophobicContact CD1-CB 4.02Å; L37-F73 HydrophobicContact CD2-CB 3.91Å; L37-F73 HydrophobicContact CG-CB 4Å; L37-R74 WeakPolarHBondContact O-CD 3.47Å; L37-R74 PolarHBondContact O-NH1 2.86Å; L37-F77 HydrophobicContact CB-CB 4.25Å; L37-F77 HydrophobicContact CB-CD2 4Å; L37-F77 HydrophobicContact CB-CG 4.17Å; L37-F77 HydrophobicContact CD2-CB 4.48Å; L37-F77 HydrophobicContact CD2-CD2 4.39Å; L37-F77 WeakPolarHBondContact O-CD1 3.06Å; L37-F77 WeakPolarHBondContact O-CG 3.39Å; L37-Y87 HydrophobicContact CD2-CE1 4.47Å
38R95.2Very high94.7Very high40 Ų4055.1 Ų55.115%0.15130%0.295CS..SBendtrans-84.6133-172.2-57.4-53-172.6-88.53.8114I31 R32 N34 Q35 S40 T41 R74I31-R38 PolarHBondContact O-NH1 3.36Å; R32-R38 PolarHBondContact O-NH2 2.87Å; N34-R38 PolarHBondContact O-NH1 2.84Å; Q35-R38 WeakPolarHBondContact O-CB 3.15Å; Q35-R38 PolarHBondContact O-N 3.45Å; R38-S40 PolarHBondContact O-N 2.7Å; R38-T41 PolarHBondContact O-N 3.32Å; R38-R74 VanDerWaalsContact N-NH1 3.15Å; R38-R74 PolarHBondContact O-NH1 3.45Å; R38-R74 PolarHBondContact O-NH2 2.85Å
39P92.1Very high94.7Very high101 Ų10155 Ų5566%0.65629%0.294SS*.THydrogen-bonded Turntrans-42.1-34.4179.4-33.937.3000116.1T41 R74 F77P39-T41 VanDerWaalsContact C-N 3.31Å; P39-T41 PolarHBondContact O-N 3.35Å; P39-R74 PolarHBondContact O-NH2 3.26Å; P39-F77 HydrophobicContact CG-CE1 4.34Å
40S91.6Very high94.7Very high104 Ų10452.4 Ų52.473%0.72728%0.276SS*.THydrogen-bonded Turntrans-61.6-30.6176.447.80000114.7R38R38-S40 PolarHBondContact O-N 2.7Å
41T92.6Very high94.6Very high24 Ų2452.5 Ų52.515%0.14728%0.276CS..SBendtrans-82.4127.1179-52.30000110.4Q35 R38 P39 E45 L46 R74Q35-T41 WeakPolarHBondContact O-CB 3.34Å; Q35-T41 PolarHBondContact O-OG1 2.73Å; R38-T41 PolarHBondContact O-N 3.32Å; P39-T41 VanDerWaalsContact C-N 3.31Å; P39-T41 PolarHBondContact O-N 3.35Å; T41-E45 HydrophobicContact CG2-CB 3.79Å; T41-E45 HydrophobicContact CG2-CG 4.19Å; T41-L46 HydrophobicContact CG2-CD1 4.34Å; T41-R74 PolarHBondContact O-NH2 2.65Å
42S95.2Very high94.5Very high58 Ų5855.1 Ų55.141%0.40629%0.286SS..  trans-68.6149.3179.782.30000112.1T44 E45S42-T44 PolarHBondContact O-N 2.05Å; S42-T44 VanDerWaalsContact O-N 3.16Å; S42-T44 PolarHBondContact OG-OG1 2.7Å; S42-E45 WeakPolarHBondContact O-CB 3.15Å; S42-E45 PolarHBondContact O-N 3.26Å; S42-E45 PolarHBondContact OG-N 2.95Å
43L94.3Very high94.5Very high104 Ų10450.3 Ų50.355%0.54527%0.274SS..THydrogen-bonded Turntrans-60.7-26.2176.8-68.9177.9000113.3E45 L46 F47 L71 R74L43-E45 VanDerWaalsContact C-N 3.26Å; L43-E45 PolarHBondContact O-N 3Å; L43-L46 HydrophobicContact CD2-CD2 4.48Å; L43-F47 WeakPolarHBondContact O-CD2 3.5Å; L43-L71 HydrophobicContact CD2-CD1 3.94Å; L43-R74 HydrophobicContact CD2-CG 4.33Å
44T94.8Very high94.3Very high93 Ų9347.9 Ų47.957%0.57126%0.263SS*.THydrogen-bonded Turntrans-70.4-23.9177.160.40000112.9S42 F47S42-T44 PolarHBondContact O-N 2.05Å; S42-T44 VanDerWaalsContact O-N 3.16Å; S42-T44 PolarHBondContact OG-OG1 2.7Å; T44-F47 PolarHBondContact O-N 3.5Å
45E93.7Very high94Very high54 Ų5449.3 Ų49.325%0.25227%0.272SS..G310 helixtrans-74.6-30.4-178.2-15456.7-148.700112.1T41 S42 L43 F47 K48 N49T41-E45 HydrophobicContact CG2-CB 3.79Å; T41-E45 HydrophobicContact CG2-CG 4.19Å; S42-E45 WeakPolarHBondContact O-CB 3.15Å; S42-E45 PolarHBondContact O-N 3.26Å; S42-E45 PolarHBondContact OG-N 2.95Å; L43-E45 VanDerWaalsContact C-N 3.26Å; L43-E45 PolarHBondContact O-N 3Å; E45-F47 PolarHBondContact O-N 2.9Å; E45-K48 PolarHBondContact O-N 3.19Å; E45-K48 IonicContact OE2-NZ 2.65Å; E45-K48 PolarHBondContact OE2-NZ 2.97Å; E45-N49 PolarHBondContact O-N 3.12Å
46L95Very high93.8Very high2 Ų245 Ų451%0.0125%0.252CS..G310 helixtrans-56.7-25.9173.8-81.561.4000112.7D36 T41 L43 P67 V70 L71 R74D36-L46 HydrophobicContact CB-CD1 3.98Å; D36-L46 HydrophobicContact CB-CG 4.15Å; T41-L46 HydrophobicContact CG2-CD1 4.34Å; L43-L46 HydrophobicContact CD2-CD2 4.48Å; L46-P67 WeakPolarHBondContact O-CB 3.08Å; L46-V70 HydrophobicContact CD2-CG1 4.16Å; L46-V70 HydrophobicContact CG-CG1 4.01Å; L46-L71 HydrophobicContact CD2-CB 4.29Å; L46-L71 HydrophobicContact CD2-CD1 4.17Å; L46-R74 HydrophobicContact CD2-CB 4.22Å; L46-R74 HydrophobicContact CD2-CG 4.49Å
47F95Very high93.3Very high86 Ų8651.6 Ų51.638%0.37729%0.287SS..G310 helixtrans-89.8-1177.9-69.2-91.1000113.5L43 T44 E45 Y65 P67 F68L43-F47 WeakPolarHBondContact O-CD2 3.5Å; T44-F47 PolarHBondContact O-N 3.5Å; E45-F47 PolarHBondContact O-N 2.9Å; F47-Y65 WeakPolarHBondContact O-CE2 3.26Å; F47-Y65 PolarHBondContact O-OH 2.92Å; F47-P67 HydrophobicContact CD1-CB 3.77Å; F47-P67 HydrophobicContact CD1-CG 3.94Å; F47-P67 HydrophobicContact CE1-CB 3.94Å; F47-P67 HydrophobicContact CE1-CG 4.05Å; F47-P67 HydrophobicContact CG-CB 4.21Å; F47-F68 HydrophobicContact CE1-CD2 4.23Å; F47-F68 AromaticContact CE1-CE2 3.95Å; F47-F68 HydrophobicContact CE1-CE2 3.95Å; F47-F68 HydrophobicContact CZ-CD2 4.44Å; F47-F68 HydrophobicContact CZ-CE2 4.09Å
48K94.1Very high92.3Very high109 Ų10954.5 Ų54.547%0.47430%0.301SS..THydrogen-bonded Turntrans-109.3-15.7175.6-57.4-175.8-157.5149.10112.8E45 M56E45-K48 PolarHBondContact O-N 3.19Å; E45-K48 IonicContact OE2-NZ 2.65Å; E45-K48 PolarHBondContact OE2-NZ 2.97Å; K48-M56 WeakPolarHBondContact O-CB 3.49Å; K48-M56 PolarHBondContact O-N 3.08Å
49N94.6Very high91.2Very high8 Ų861.8 Ų61.84%0.04334%0.337CS..BIsolated β-bridgetrans-98.8159.9-177.7-63.8-16.3000111.9D36 E45 T54 P55D36-N49 PolarHBondContact OD1-ND2 3.33Å; D36-N49 WeakPolarHBondContact OD2-CB 3.45Å; D36-N49 PolarHBondContact OD2-ND2 2.77Å; E45-N49 PolarHBondContact O-N 3.12Å; N49-T54 CarbonylContact C-O 3.52Å; N49-T54 WeakPolarHBondContact CA-O 3.47Å; N49-P55 VanDerWaalsContact OD1-CA 3.31Å; N49-P55 WeakPolarHBondContact OD1-CA 3.43Å
50D93.5Very high90.3Very high2 Ų266.1 Ų66.11%0.01134%0.34CS..  trans-77.5179165.769.522.4000111.6W52 G53 T54 M56 S61 H62 S64D50-W52 PolarHBondContact O-N 3.44Å; D50-W52 WeakPolarHBondContact OD1-CA 3.29Å; D50-W52 PolarHBondContact OD1-N 3.36Å; D50-G53 PolarHBondContact O-N 2.91Å; D50-G53 VanDerWaalsContact O-N 3.08Å; D50-G53 PolarHBondContact OD1-N 2.82Å; D50-T54 PolarHBondContact N-O 3.38Å; D50-T54 PolarHBondContact OD1-N 3.44Å; D50-M56 HydrophobicContact CB-CE 3.63Å; D50-S61 WeakPolarHBondContact CB-OG 3.4Å; D50-S61 WeakPolarHBondContact OD2-CA 3.46Å; D50-S61 WeakPolarHBondContact OD2-CB 3.44Å; D50-S61 PolarHBondContact OD2-OG 3.48Å; D50-H62 PolarHBondContact OD2-N 3.36Å; D50-S64 CarbonylContact C-O 3.58Å
51F95.8Very high89.9Confident2 Ų261.6 Ų61.61%0.00931%0.308CS..THydrogen-bonded Turntrans-56.8-22.3-177.6-178.3-112.8000114.1A30 S64 R66 T69 V70 F73 V136A30-F51 HydrophobicContact CB-CE1 4.09Å; A30-F51 HydrophobicContact CB-CZ 4.47Å; F51-S64 VanDerWaalsContact CB-O 3.29Å; F51-S64 WeakPolarHBondContact CB-O 3.43Å; F51-S64 WeakPolarHBondContact CB-OG 3.11Å; F51-S64 PolarHBondContact N-O 3.28Å; F51-R66 HydrophobicContact CB-CB 4.35Å; F51-R66 HydrophobicContact CD2-CB 3.78Å; F51-R66 HydrophobicContact CD2-CG 4.37Å; F51-R66 HydrophobicContact CG-CB 4.45Å; F51-T69 HydrophobicContact CE2-CG2 3.77Å; F51-V70 HydrophobicContact CD2-CG2 4.02Å; F51-F73 AromaticContact CE2-CE2 3.66Å; F51-F73 HydrophobicContact CE2-CE2 3.66Å; F51-F73 HydrophobicContact CE2-CZ 4.4Å; F51-F73 AromaticContact CZ-CE2 3.79Å; F51-F73 HydrophobicContact CZ-CE2 3.79Å; F51-F73 HydrophobicContact CZ-CZ 4.29Å; F51-V136 HydrophobicContact CE1-CB 4.04Å; F51-V136 HydrophobicContact CE1-CG1 3.84Å; F51-V136 HydrophobicContact CZ-CB 3.97Å; F51-V136 HydrophobicContact CZ-CG1 3.97Å
52W94.6Very high89.4Confident55 Ų5566 Ų6621%0.20833%0.327CS..THydrogen-bonded Turntrans-100.81.3-175.8-44.7103.1000112.7D26 A30 D50 H62 S64 V136D26-W52 HydrophobicContact CB-CH2 3.74Å; D26-W52 HydrophobicContact CB-CZ3 3.86Å; D26-W52 WeakPolarHBondContact O-CZ3 3.41Å; A30-W52 HydrophobicContact CB-CE3 3.84Å; A30-W52 HydrophobicContact CB-CZ3 3.84Å; D50-W52 PolarHBondContact O-N 3.44Å; D50-W52 WeakPolarHBondContact OD1-CA 3.29Å; D50-W52 PolarHBondContact OD1-N 3.36Å; W52-H62 AromaticContact NE1-CD2 3.88Å; W52-H62 AromaticContact NE1-CG 3.45Å; W52-H62 AromaticContact NE1-ND1 3.82Å; W52-S64 PolarHBondContact NE1-OG 3.02Å; W52-V136 HydrophobicContact CZ3-CG1 4.49Å
53G93.7Very high89Confident20 Ų2064.2 Ų64.221%0.20631%0.311CS..SBendtrans87.114.2-178.800000114.7N34 D36 D50N34-G53 WeakPolarHBondContact OD1-CA 3.41Å; D36-G53 WeakPolarHBondContact OD2-CA 3.34Å; D50-G53 PolarHBondContact O-N 2.91Å; D50-G53 VanDerWaalsContact O-N 3.08Å; D50-G53 PolarHBondContact OD1-N 2.82Å
54T90.8Very high88.8Confident31 Ų3159.8 Ų59.819%0.1929%0.29CS..  trans-92.9130.7176.9-560000110.3N49 D50 M56 E58 R60N49-T54 CarbonylContact C-O 3.52Å; N49-T54 WeakPolarHBondContact CA-O 3.47Å; D50-T54 PolarHBondContact N-O 3.38Å; D50-T54 PolarHBondContact OD1-N 3.44Å; T54-M56 PolarHBondContact O-N 3.38Å; T54-E58 HydrophobicContact CG2-CB 4.43Å; T54-E58 WeakPolarHBondContact CG2-OE2 3.47Å; T54-R60 HydrophobicContact CG2-CG 3.94Å
55P90.8Very high88.7Confident31 Ų3156.4 Ų56.420%0.20127%0.266CS..BIsolated β-bridgetrans-54.9132.6178.4-27.835.3000113.4N49 N57 E58 S61N49-P55 VanDerWaalsContact OD1-CA 3.31Å; N49-P55 WeakPolarHBondContact OD1-CA 3.43Å; P55-N57 WeakPolarHBondContact CB-OD1 3.12Å; P55-N57 PolarHBondContact O-N 3.29Å; P55-N57 VanDerWaalsContact O-N 3.13Å; P55-E58 HydrophobicContact CB-CG 4.09Å; P55-E58 WeakPolarHBondContact O-CB 3.33Å; P55-E58 PolarHBondContact O-N 3.45Å; P55-S61 WeakPolarHBondContact O-CB 3.25Å
56M89.4Confident88.9Confident19 Ų1955.4 Ų55.49%0.09426%0.26CS..THydrogen-bonded Turntrans-64-22.6-172.5-164.561.756.200113.8K48 D50 T54 K63 Y65 I277K48-M56 WeakPolarHBondContact O-CB 3.49Å; K48-M56 PolarHBondContact O-N 3.08Å; D50-M56 HydrophobicContact CB-CE 3.63Å; T54-M56 PolarHBondContact O-N 3.38Å; M56-K63 PolarHBondContact O-NZ 3.44Å; M56-K63 HydrophobicContact SD-CB 4.24Å; M56-K63 HydrophobicContact SD-CD 3.77Å; M56-Y65 HydrophobicContact CE-CD2 3.77Å; M56-Y65 HydrophobicContact CE-CG 4.32Å; M56-I277 HydrophobicContact CG-CG2 3.97Å; M56-I277 WeakPolarHBondContact CG-O 3.39Å
57N85.3Confident89Confident141 Ų14155.3 Ų55.375%0.75426%0.26SS*.THydrogen-bonded Turntrans-78.5-17.2176.762-20.2000113.2P55P55-N57 WeakPolarHBondContact CB-OD1 3.12Å; P55-N57 PolarHBondContact O-N 3.29Å; P55-N57 VanDerWaalsContact O-N 3.13Å
58E77.1Confident89.1Confident60 Ų6054.2 Ų54.228%0.2826%0.255SS..SBendtrans-77.5142.1179.1-67.7-179.7177.600111.3T54 P55 R60 S61 K63T54-E58 HydrophobicContact CG2-CB 4.43Å; T54-E58 WeakPolarHBondContact CG2-OE2 3.47Å; P55-E58 HydrophobicContact CB-CG 4.09Å; P55-E58 WeakPolarHBondContact O-CB 3.33Å; P55-E58 PolarHBondContact O-N 3.45Å; E58-R60 VanDerWaalsContact C-N 3.26Å; E58-R60 HydrophobicContact CB-CG 4.12Å; E58-R60 PolarHBondContact O-N 3.37Å; E58-R60 IonicContact OE1-NH2 3.99Å; E58-R60 PolarHBondContact OE1-NH2 3.04Å; E58-R60 IonicContact OE2-CZ 2.69Å; E58-R60 IonicContact OE2-NE 3.55Å; E58-R60 PolarHBondContact OE2-NE 2.98Å; E58-R60 IonicContact OE2-NH2 3.55Å; E58-R60 PolarHBondContact OE2-NH2 2.99Å; E58-S61 VanDerWaalsContact O-CB 3.3Å; E58-S61 WeakPolarHBondContact O-CB 3.42Å; E58-S61 PolarHBondContact O-N 2.97Å; E58-S61 VanDerWaalsContact O-N 3.15Å; E58-K63 PolarHBondContact O-NZ 3.14Å
59E71.4Confident89.3Confident194 Ų19449 Ų4991%0.90723%0.233SC*.THydrogen-bonded Turntrans-63-33.3178.4-67.4-175.1167.800112.5S61E59-S61 PolarHBondContact O-N 3.28Å
60R72.9Confident89.5Confident192 Ų19248.8 Ų48.873%0.72523%0.231SC*.THydrogen-bonded Turntrans-72.5-9.1177.462.8168.7-179.7-172.9-3.5114.2T54 E58 H62T54-R60 HydrophobicContact CG2-CG 3.94Å; E58-R60 VanDerWaalsContact C-N 3.26Å; E58-R60 HydrophobicContact CB-CG 4.12Å; E58-R60 PolarHBondContact O-N 3.37Å; E58-R60 IonicContact OE1-NH2 3.99Å; E58-R60 PolarHBondContact OE1-NH2 3.04Å; E58-R60 IonicContact OE2-CZ 2.69Å; E58-R60 IonicContact OE2-NE 3.55Å; E58-R60 PolarHBondContact OE2-NE 2.98Å; E58-R60 IonicContact OE2-NH2 3.55Å; E58-R60 PolarHBondContact OE2-NH2 2.99Å; R60-H62 PolarHBondContact O-N 3.1Å
61S82.9Confident89.7Confident8 Ų851.1 Ų51.16%0.05624%0.243CC..  trans-63.5136.7177.2171.90000110.7D50 P55 E58 E59 K63D50-S61 WeakPolarHBondContact CB-OG 3.4Å; D50-S61 WeakPolarHBondContact OD2-CA 3.46Å; D50-S61 WeakPolarHBondContact OD2-CB 3.44Å; D50-S61 PolarHBondContact OD2-OG 3.48Å; P55-S61 WeakPolarHBondContact O-CB 3.25Å; E58-S61 VanDerWaalsContact O-CB 3.3Å; E58-S61 WeakPolarHBondContact O-CB 3.42Å; E58-S61 PolarHBondContact O-N 2.97Å; E58-S61 VanDerWaalsContact O-N 3.15Å; E59-S61 PolarHBondContact O-N 3.28Å; S61-K63 PolarHBondContact O-N 2.96Å; S61-K63 PolarHBondContact OG-N 3.39Å; S61-K63 VanDerWaalsContact OG-N 3.11Å
62H82.4Confident89.8Confident118 Ų11853.1 Ų53.155%0.54626%0.256SS..  trans-70.6-10175.4-171.2-76.7000112.2D50 W52 R60 S64D50-H62 PolarHBondContact OD2-N 3.36Å; W52-H62 AromaticContact NE1-CD2 3.88Å; W52-H62 AromaticContact NE1-CG 3.45Å; W52-H62 AromaticContact NE1-ND1 3.82Å; R60-H62 PolarHBondContact O-N 3.1Å; H62-S64 PolarHBondContact ND1-OG 3.26Å; H62-S64 PolarHBondContact O-N 3.07Å; H62-S64 VanDerWaalsContact O-N 3.12Å
63K86.7Confident90Very high19 Ų1950.5 Ų50.58%0.08325%0.246CC..  trans61.216.4-178.2-45.6-56.9-176.3-173.30114.8M56 E58 S61 Y65 M278M56-K63 PolarHBondContact O-NZ 3.44Å; M56-K63 HydrophobicContact SD-CB 4.24Å; M56-K63 HydrophobicContact SD-CD 3.77Å; E58-K63 PolarHBondContact O-NZ 3.14Å; S61-K63 PolarHBondContact O-N 2.96Å; S61-K63 PolarHBondContact OG-N 3.39Å; S61-K63 VanDerWaalsContact OG-N 3.11Å; K63-Y65 PolarHBondContact O-N 3.32Å; K63-Y65 VanDerWaalsContact O-N 3.07Å; K63-M278 HydrophobicContact CB-CE 4.3Å
64S90.4Very high90.1Very high12 Ų1251.1 Ų51.18%0.08424%0.242CC..  trans-78.481.5174.641.60000110.6D50 F51 W52 H62 R66D50-S64 CarbonylContact C-O 3.58Å; F51-S64 VanDerWaalsContact CB-O 3.29Å; F51-S64 WeakPolarHBondContact CB-O 3.43Å; F51-S64 WeakPolarHBondContact CB-OG 3.11Å; F51-S64 PolarHBondContact N-O 3.28Å; W52-S64 PolarHBondContact NE1-OG 3.02Å; H62-S64 PolarHBondContact ND1-OG 3.26Å; H62-S64 PolarHBondContact O-N 3.07Å; H62-S64 VanDerWaalsContact O-N 3.12Å; S64-R66 PolarHBondContact O-N 3.3Å
65Y93.7Very high90.5Very high21 Ų2153.1 Ų53.18%0.08225%0.254CS..  trans-77.6104.1-178.4-172.3-114.4000112.8F47 M56 K63 P67 L184 I277F47-Y65 WeakPolarHBondContact O-CE2 3.26Å; F47-Y65 PolarHBondContact O-OH 2.92Å; M56-Y65 HydrophobicContact CE-CD2 3.77Å; M56-Y65 HydrophobicContact CE-CG 4.32Å; K63-Y65 PolarHBondContact O-N 3.32Å; K63-Y65 VanDerWaalsContact O-N 3.07Å; Y65-P67 HydrophobicContact CD1-CG 4.42Å; Y65-P67 HydrophobicContact CE1-CG 3.82Å; Y65-P67 HydrophobicContact CE2-CB 4.4Å; Y65-P67 HydrophobicContact CE2-CG 4Å; Y65-L184 HydrophobicContact CD1-CD2 4.27Å; Y65-L184 HydrophobicContact CE1-CD2 3.68Å; Y65-I277 HydrophobicContact CD1-CD1 3.97Å; Y65-I277 HydrophobicContact CD1-CG2 4.13Å; Y65-I277 HydrophobicContact CD2-CG2 3.84Å; Y65-I277 HydrophobicContact CE1-CD1 3.45Å; Y65-I277 VanDerWaalsContact CE1-CD1 3.45Å; Y65-I277 HydrophobicContact CE1-CG2 4.39Å; Y65-I277 HydrophobicContact CE2-CG2 4.11Å; Y65-I277 HydrophobicContact CG-CG2 3.82Å
66R96.7Very high90.8Very high33 Ų3352 Ų5213%0.12525%0.246CC..  trans-140.252.2-176-61178.8-175.8167-0.2113.3F51 S64 F68 T69 V70 L184 C185 E187F51-R66 HydrophobicContact CB-CB 4.35Å; F51-R66 HydrophobicContact CD2-CB 3.78Å; F51-R66 HydrophobicContact CD2-CG 4.37Å; F51-R66 HydrophobicContact CG-CB 4.45Å; S64-R66 PolarHBondContact O-N 3.3Å; R66-F68 VanDerWaalsContact C-N 3.28Å; R66-F68 PolarHBondContact O-N 3.47Å; R66-T69 PolarHBondContact O-N 3Å; R66-T69 VanDerWaalsContact O-N 3.12Å; R66-V70 PolarHBondContact O-N 3.28Å; R66-L184 CarbonylContact C-O 3.31Å; R66-L184 WeakPolarHBondContact CA-O 3.46Å; R66-C185 WeakPolarHBondContact CD-O 3.44Å; R66-C185 WeakPolarHBondContact CG-O 3.32Å; R66-E187 IonicContact CZ-OE1 3.47Å; R66-E187 IonicContact NE-OE1 3.82Å; R66-E187 IonicContact NE-OE2 2.77Å; R66-E187 IonicContact NH2-OE1 3.72Å; R66-E187 PolarHBondContact NH2-OE1 3.02Å; R66-E187 IonicContact NH2-OE2 3.43Å
67P97Very high91.2Very high1 Ų152 Ų521%0.00625%0.246CC..Hα-helixtrans-61.9-32.5-168.727.9-38.6000113.4L46 F47 Y65 V70 L71 L184L46-P67 WeakPolarHBondContact O-CB 3.08Å; F47-P67 HydrophobicContact CD1-CB 3.77Å; F47-P67 HydrophobicContact CD1-CG 3.94Å; F47-P67 HydrophobicContact CE1-CB 3.94Å; F47-P67 HydrophobicContact CE1-CG 4.05Å; F47-P67 HydrophobicContact CG-CB 4.21Å; Y65-P67 HydrophobicContact CD1-CG 4.42Å; Y65-P67 HydrophobicContact CE1-CG 3.82Å; Y65-P67 HydrophobicContact CE2-CB 4.4Å; Y65-P67 HydrophobicContact CE2-CG 4Å; P67-V70 PolarHBondContact O-N 3.05Å; P67-L71 WeakPolarHBondContact O-CB 3.45Å; P67-L71 PolarHBondContact O-N 3.04Å; P67-L184 HydrophobicContact CG-CB 4.41Å; P67-L184 HydrophobicContact CG-CD2 4.06Å
68F97.5Very high91.8Very high63 Ų6351.7 Ų51.728%0.27624%0.243SC..Hα-helixtrans-70.3-36.6179.1-94-110.7000111.8F47 R66 L71 T72 I181 L184F47-F68 HydrophobicContact CE1-CD2 4.23Å; F47-F68 AromaticContact CE1-CE2 3.95Å; F47-F68 HydrophobicContact CE1-CE2 3.95Å; F47-F68 HydrophobicContact CZ-CD2 4.44Å; F47-F68 HydrophobicContact CZ-CE2 4.09Å; R66-F68 VanDerWaalsContact C-N 3.28Å; R66-F68 PolarHBondContact O-N 3.47Å; F68-L71 WeakPolarHBondContact O-CB 3.39Å; F68-L71 PolarHBondContact O-N 3.27Å; F68-T72 WeakPolarHBondContact O-CG2 3.31Å; F68-T72 PolarHBondContact O-N 3Å; F68-T72 VanDerWaalsContact O-N 3.11Å; F68-I181 HydrophobicContact CD1-CG2 3.74Å; F68-I181 HydrophobicContact CE1-CG1 4.41Å; F68-I181 HydrophobicContact CE1-CG2 3.9Å; F68-I181 HydrophobicContact CG-CG2 4.43Å; F68-L184 HydrophobicContact CB-CB 4.11Å; F68-L184 HydrophobicContact CD2-CB 3.72Å; F68-L184 HydrophobicContact CD2-CD1 3.64Å; F68-L184 HydrophobicContact CD2-CG 4.3Å; F68-L184 HydrophobicContact CE2-CB 4.49Å; F68-L184 HydrophobicContact CE2-CD1 3.56Å; F68-L184 HydrophobicContact CG-CB 4.12Å; F68-L184 HydrophobicContact CZ-CD1 4.47Å; F68-L184 PolarHBondContact N-O 2.87Å
69T98.4Very high92.7Very high0 Ų056 Ų560%026%0.261CS..Hα-helixtrans-64.7-46.5173.2-55.10000110.2F51 R66 L71 T72 F73 R138 A139 L142 C185F51-T69 HydrophobicContact CE2-CG2 3.77Å; R66-T69 PolarHBondContact O-N 3Å; R66-T69 VanDerWaalsContact O-N 3.12Å; T69-L71 VanDerWaalsContact C-N 3.29Å; T69-L71 PolarHBondContact O-N 3.24Å; T69-T72 PolarHBondContact O-N 3.21Å; T69-T72 PolarHBondContact O-OG1 2.95Å; T69-F73 HydrophobicContact CG2-CE2 3.85Å; T69-F73 HydrophobicContact CG2-CZ 3.9Å; T69-F73 PolarHBondContact O-N 3.06Å; T69-F73 VanDerWaalsContact O-N 3.1Å; T69-R138 HydrophobicContact CG2-CB 4.22Å; T69-R138 HydrophobicContact CG2-CG 4.26Å; T69-A139 HydrophobicContact CG2-CB 4.1Å; T69-L142 HydrophobicContact CG2-CD1 4.32Å; T69-C185 VanDerWaalsContact OG1-CA 3.22Å; T69-C185 WeakPolarHBondContact OG1-CA 3.47Å; T69-C185 PolarHBondContact OG1-O 2.87Å
70V98.1Very high93.9Very high2 Ų250.4 Ų50.41%0.01224%0.235CC..Hα-helixtrans-59.8-40.4176.4-179.40000111.2D36 L37 L46 F51 R66 P67 T72 F73 R74D36-V70 HydrophobicContact CB-CG1 3.84Å; L37-V70 HydrophobicContact CD1-CG1 4.27Å; L46-V70 HydrophobicContact CD2-CG1 4.16Å; L46-V70 HydrophobicContact CG-CG1 4.01Å; F51-V70 HydrophobicContact CD2-CG2 4.02Å; R66-V70 PolarHBondContact O-N 3.28Å; P67-V70 PolarHBondContact O-N 3.05Å; V70-T72 VanDerWaalsContact C-N 3.29Å; V70-T72 PolarHBondContact O-N 2.92Å; V70-F73 CarbonylContact O-C 3.54Å; V70-F73 WeakPolarHBondContact O-CA 3.39Å; V70-F73 WeakPolarHBondContact O-CB 3.48Å; V70-F73 PolarHBondContact O-N 2.92Å; V70-R74 PolarHBondContact O-N 2.72Å
71L97.7Very high95.1Very high51 Ų5147.8 Ų47.827%0.26723%0.231SC..Hα-helixtrans-58.6-40174.2-179.163.2000111.9L43 L46 P67 F68 T69 F73 R74 V75L43-L71 HydrophobicContact CD2-CD1 3.94Å; L46-L71 HydrophobicContact CD2-CB 4.29Å; L46-L71 HydrophobicContact CD2-CD1 4.17Å; P67-L71 WeakPolarHBondContact O-CB 3.45Å; P67-L71 PolarHBondContact O-N 3.04Å; F68-L71 WeakPolarHBondContact O-CB 3.39Å; F68-L71 PolarHBondContact O-N 3.27Å; T69-L71 VanDerWaalsContact C-N 3.29Å; T69-L71 PolarHBondContact O-N 3.24Å; L71-F73 VanDerWaalsContact C-N 3.33Å; L71-F73 PolarHBondContact O-N 3.01Å; L71-R74 WeakPolarHBondContact O-CB 3.49Å; L71-R74 PolarHBondContact O-N 2.62Å; L71-V75 WeakPolarHBondContact O-CG2 3.47Å; L71-V75 PolarHBondContact O-N 3.47Å
72T98.1Very high95.7Very high44 Ų4450.7 Ų50.727%0.2725%0.246SC..Hα-helixtrans-67.8-32.6174.569.90000112.9F68 T69 V70 N76 R138 L142F68-T72 WeakPolarHBondContact O-CG2 3.31Å; F68-T72 PolarHBondContact O-N 3Å; F68-T72 VanDerWaalsContact O-N 3.11Å; T69-T72 PolarHBondContact O-N 3.21Å; T69-T72 PolarHBondContact O-OG1 2.95Å; V70-T72 VanDerWaalsContact C-N 3.29Å; V70-T72 PolarHBondContact O-N 2.92Å; T72-N76 WeakPolarHBondContact O-CB 3.35Å; T72-N76 PolarHBondContact O-N 2.98Å; T72-R138 PolarHBondContact O-NH1 3.14Å; T72-R138 WeakPolarHBondContact OG1-CD 3.39Å; T72-L142 HydrophobicContact CG2-CD1 3.73Å; T72-L142 HydrophobicContact CG2-CD2 4.45Å
73F98.4Very high96.5Very high0 Ų047.6 Ų47.60%024%0.237CC..Hα-helixtrans-66.7-39.8170.7-62.1-40.7000111.3I31 L37 F51 T69 V70 L71 V75 N76 F77 Y87 V135 R138I31-F73 HydrophobicContact CD1-CB 3.9Å; I31-F73 HydrophobicContact CD1-CD1 3.54Å; I31-F73 HydrophobicContact CD1-CD2 3.53Å; I31-F73 HydrophobicContact CD1-CE1 3.85Å; I31-F73 HydrophobicContact CD1-CE2 3.82Å; I31-F73 HydrophobicContact CD1-CG 3.4Å; I31-F73 VanDerWaalsContact CD1-CG 3.4Å; I31-F73 HydrophobicContact CD1-CZ 3.99Å; L37-F73 HydrophobicContact CD1-CB 4.02Å; L37-F73 HydrophobicContact CD2-CB 3.91Å; L37-F73 HydrophobicContact CG-CB 4Å; F51-F73 AromaticContact CE2-CE2 3.66Å; F51-F73 HydrophobicContact CE2-CE2 3.66Å; F51-F73 HydrophobicContact CE2-CZ 4.4Å; F51-F73 AromaticContact CZ-CE2 3.79Å; F51-F73 HydrophobicContact CZ-CE2 3.79Å; F51-F73 HydrophobicContact CZ-CZ 4.29Å; T69-F73 HydrophobicContact CG2-CE2 3.85Å; T69-F73 HydrophobicContact CG2-CZ 3.9Å; T69-F73 PolarHBondContact O-N 3.06Å; T69-F73 VanDerWaalsContact O-N 3.1Å; V70-F73 CarbonylContact O-C 3.54Å; V70-F73 WeakPolarHBondContact O-CA 3.39Å; V70-F73 WeakPolarHBondContact O-CB 3.48Å; V70-F73 PolarHBondContact O-N 2.92Å; L71-F73 VanDerWaalsContact C-N 3.33Å; L71-F73 PolarHBondContact O-N 3.01Å; F73-V75 PolarHBondContact O-N 3.42Å; F73-N76 CarbonylContact O-C 3.37Å; F73-N76 WeakPolarHBondContact O-CA 3.19Å; F73-N76 VanDerWaalsContact O-CB 3.3Å; F73-N76 WeakPolarHBondContact O-CB 3.48Å; F73-N76 PolarHBondContact O-N 3.23Å; F73-N76 VanDerWaalsContact O-N 3.08Å; F73-F77 PolarHBondContact O-N 3Å; F73-Y87 HydrophobicContact CB-CE1 4.41Å; F73-Y87 HydrophobicContact CD1-CD1 4.11Å; F73-Y87 HydrophobicContact CD1-CE1 4.28Å; F73-V135 HydrophobicContact CD1-CG1 4.34Å; F73-V135 HydrophobicContact CE1-CG1 3.7Å; F73-V135 HydrophobicContact CZ-CG1 4.32Å; F73-R138 HydrophobicContact CE1-CB 3.76Å; F73-R138 VanDerWaalsContact CE1-CD 3.44Å; F73-R138 HydrophobicContact CE1-CG 4.17Å; F73-R138 HydrophobicContact CZ-CB 3.88Å
74R97.7Very high97Very high34 Ų3448.1 Ų48.113%0.12824%0.243CC..Hα-helixtrans-61.1-42.8174.5177.152.7168.7-112.3-0.7112.4D36 L37 R38 P39 T41 L43 L46 V70 L71 N76 F77 L78D36-R74 PolarHBondContact O-NH1 2.85Å; L37-R74 WeakPolarHBondContact O-CD 3.47Å; L37-R74 PolarHBondContact O-NH1 2.86Å; R38-R74 VanDerWaalsContact N-NH1 3.15Å; R38-R74 PolarHBondContact O-NH1 3.45Å; R38-R74 PolarHBondContact O-NH2 2.85Å; P39-R74 PolarHBondContact O-NH2 3.26Å; T41-R74 PolarHBondContact O-NH2 2.65Å; L43-R74 HydrophobicContact CD2-CG 4.33Å; L46-R74 HydrophobicContact CD2-CB 4.22Å; L46-R74 HydrophobicContact CD2-CG 4.49Å; V70-R74 PolarHBondContact O-N 2.72Å; L71-R74 WeakPolarHBondContact O-CB 3.49Å; L71-R74 PolarHBondContact O-N 2.62Å; R74-N76 VanDerWaalsContact C-N 3.31Å; R74-F77 PolarHBondContact O-N 2.79Å; R74-L78 PolarHBondContact O-N 3.15Å; R74-L78 VanDerWaalsContact O-N 3.11Å
75V97.5Very high97.3Very high73 Ų7350.1 Ų50.144%0.44226%0.257SS..Hα-helixtrans-63.7-39.6172.2173.80000110.7L71 F73 F77 L78 F79L71-V75 WeakPolarHBondContact O-CG2 3.47Å; L71-V75 PolarHBondContact O-N 3.47Å; F73-V75 PolarHBondContact O-N 3.42Å; V75-F77 VanDerWaalsContact C-N 3.35Å; V75-F77 PolarHBondContact O-N 3.37Å; V75-L78 WeakPolarHBondContact O-CB 3.45Å; V75-L78 PolarHBondContact O-N 2.82Å; V75-F79 HydrophobicContact CG1-CD2 4.25Å; V75-F79 HydrophobicContact CG1-CE2 3.87Å; V75-F79 WeakPolarHBondContact O-CD2 3.43Å
76N98Very high97.5Very high6 Ų649.3 Ų49.33%0.03226%0.255CS..Hα-helixtrans-63.8-40.9177-148.8131.5000112.2T72 F73 R74 L78 F79 H80 G86 Y87 T90 R138T72-N76 WeakPolarHBondContact O-CB 3.35Å; T72-N76 PolarHBondContact O-N 2.98Å; F73-N76 CarbonylContact O-C 3.37Å; F73-N76 WeakPolarHBondContact O-CA 3.19Å; F73-N76 VanDerWaalsContact O-CB 3.3Å; F73-N76 WeakPolarHBondContact O-CB 3.48Å; F73-N76 PolarHBondContact O-N 3.23Å; F73-N76 VanDerWaalsContact O-N 3.08Å; R74-N76 VanDerWaalsContact C-N 3.31Å; N76-L78 VanDerWaalsContact C-N 3.3Å; N76-L78 PolarHBondContact O-N 2.96Å; N76-F79 PolarHBondContact O-N 3.35Å; N76-H80 PolarHBondContact ND2-ND1 2.78Å; N76-H80 VanDerWaalsContact ND2-ND1 3.17Å; N76-H80 PolarHBondContact O-N 2.82Å; N76-H80 PolarHBondContact O-ND1 3.32Å; N76-G86 PolarHBondContact OD1-O 3.16Å; N76-Y87 HydrophobicContact CB-CD1 3.93Å; N76-Y87 HydrophobicContact CB-CE1 3.61Å; N76-Y87 HydrophobicContact CB-CE2 4.43Å; N76-Y87 HydrophobicContact CB-CG 4.47Å; N76-Y87 WeakPolarHBondContact ND2-CD2 3.41Å; N76-Y87 WeakPolarHBondContact OD1-CA 3.48Å; N76-T90 PolarHBondContact OD1-OG1 3.22Å; N76-R138 PolarHBondContact OD1-NH1 2.96Å; N76-R138 PolarHBondContact OD1-NH2 3.48Å
77F97.9Very high97.6Very high21 Ų2147.7 Ų47.79%0.09225%0.249CC..Hα-helixtrans-62.7-36.8176.5-171.9-82.1000111.5L37 P39 F73 R74 V75 F79 E81 L82 Y87L37-F77 HydrophobicContact CB-CB 4.25Å; L37-F77 HydrophobicContact CB-CD2 4Å; L37-F77 HydrophobicContact CB-CG 4.17Å; L37-F77 HydrophobicContact CD2-CB 4.48Å; L37-F77 HydrophobicContact CD2-CD2 4.39Å; L37-F77 WeakPolarHBondContact O-CD1 3.06Å; L37-F77 WeakPolarHBondContact O-CG 3.39Å; P39-F77 HydrophobicContact CG-CE1 4.34Å; F73-F77 PolarHBondContact O-N 3Å; R74-F77 PolarHBondContact O-N 2.79Å; V75-F77 VanDerWaalsContact C-N 3.35Å; V75-F77 PolarHBondContact O-N 3.37Å; F77-F79 PolarHBondContact O-N 3.35Å; F77-E81 VanDerWaalsContact CD2-O 3.32Å; F77-E81 WeakPolarHBondContact CD2-O 3.49Å; F77-E81 HydrophobicContact CE2-CB 4.46Å; F77-E81 HydrophobicContact CZ-CB 4.39Å; F77-E81 WeakPolarHBondContact O-CA 3.31Å; F77-E81 PolarHBondContact O-N 3.38Å; F77-L82 HydrophobicContact CD2-CD2 4.15Å; F77-L82 HydrophobicContact CE2-CD2 3.8Å; F77-L82 HydrophobicContact CE2-CG 3.89Å; F77-Y87 WeakPolarHBondContact CA-OH 3.35Å; F77-Y87 WeakPolarHBondContact CB-OH 3.43Å; F77-Y87 PolarHBondContact N-OH 3.17Å
78L96.9Very high97.7Very high133 Ų13347.7 Ų47.770%0.69625%0.249SC*.Hα-helixtrans-57.3-33.9175.8-178.465.2000112.8R74 V75 N76R74-L78 PolarHBondContact O-N 3.15Å; R74-L78 VanDerWaalsContact O-N 3.11Å; V75-L78 WeakPolarHBondContact O-CB 3.45Å; V75-L78 PolarHBondContact O-N 2.82Å; N76-L78 VanDerWaalsContact C-N 3.3Å; N76-L78 PolarHBondContact O-N 2.96Å
79F97.1Very high97.7Very high150 Ų15046.4 Ų46.466%0.65825%0.25SC*.Hα-helixtrans-99.7-28-177-65.2-67.2000114.3V75 N76 F77V75-F79 HydrophobicContact CG1-CD2 4.25Å; V75-F79 HydrophobicContact CG1-CE2 3.87Å; V75-F79 WeakPolarHBondContact O-CD2 3.43Å; N76-F79 PolarHBondContact O-N 3.35Å; F77-F79 PolarHBondContact O-N 3.35Å
80H97Very high97.7Very high78 Ų7848.7 Ų48.736%0.36126%0.264SS..Hα-helixtrans-129.5-2-169.8-56.592.1000113.6N76 L82 S83N76-H80 PolarHBondContact ND2-ND1 2.78Å; N76-H80 VanDerWaalsContact ND2-ND1 3.17Å; N76-H80 PolarHBondContact O-N 2.82Å; N76-H80 PolarHBondContact O-ND1 3.32Å; H80-L82 PolarHBondContact O-N 3.17Å; H80-L82 VanDerWaalsContact O-N 3.13Å; H80-S83 WeakPolarHBondContact O-CB 3.36Å; H80-S83 PolarHBondContact O-N 3.07Å
81E96.4Very high97.7Very high136 Ų13648.6 Ų48.664%0.63626%0.263SS*.THydrogen-bonded Turntrans47.4-117.4-173.2-59.1-176.7168.400111.5F77 Y87F77-E81 VanDerWaalsContact CD2-O 3.32Å; F77-E81 WeakPolarHBondContact CD2-O 3.49Å; F77-E81 HydrophobicContact CE2-CB 4.46Å; F77-E81 HydrophobicContact CZ-CB 4.39Å; F77-E81 WeakPolarHBondContact O-CA 3.31Å; F77-E81 PolarHBondContact O-N 3.38Å; E81-Y87 VanDerWaalsContact O-CE2 3.31Å; E81-Y87 WeakPolarHBondContact O-CE2 3.46Å; E81-Y87 PolarHBondContact O-OH 3.38Å
82L96.9Very high97.8Very high70 Ų7046.7 Ų46.737%0.36625%0.253SS..THydrogen-bonded Turntrans-102.624.5177-63.4177.5000113.1F23 I31 R32 F77 H80 P84F23-L82 HydrophobicContact CE2-CB 4.33Å; F23-L82 HydrophobicContact CE2-CD2 4.48Å; F23-L82 VanDerWaalsContact CE2-O 3.25Å; F23-L82 WeakPolarHBondContact CE2-O 3.3Å; I31-L82 HydrophobicContact CG2-CD2 4.34Å; R32-L82 HydrophobicContact CG-CD1 4.37Å; F77-L82 HydrophobicContact CD2-CD2 4.15Å; F77-L82 HydrophobicContact CE2-CD2 3.8Å; F77-L82 HydrophobicContact CE2-CG 3.89Å; H80-L82 PolarHBondContact O-N 3.17Å; H80-L82 VanDerWaalsContact O-N 3.13Å; L82-P84 VanDerWaalsContact O-CD 3.3Å; L82-P84 WeakPolarHBondContact O-CD 3.33Å
83S97.8Very high97.8Very high52 Ų5249 Ų4936%0.36427%0.266SS..  trans-80.9112.7172-176.90000110.8H80 S85 Y87H80-S83 WeakPolarHBondContact O-CB 3.36Å; H80-S83 PolarHBondContact O-N 3.07Å; S83-S85 VanDerWaalsContact C-N 3.32Å; S83-S85 PolarHBondContact O-N 3.37Å; S83-S85 PolarHBondContact OG-OG 3.17Å; S83-Y87 VanDerWaalsContact O-CD2 3.24Å; S83-Y87 WeakPolarHBondContact O-CD2 3.4Å
84P97.8Very high97.8Very high31 Ų3150.2 Ų50.220%0.20127%0.273CS..Hα-helixtrans-63.8-32.2-172.8-23.534.7000114.3C21 F23 L82 G86 Y87 H88C21-P84 WeakPolarHBondContact O-CB 3.33Å; F23-P84 HydrophobicContact CD1-CB 4.22Å; F23-P84 HydrophobicContact CD1-CG 4.44Å; F23-P84 HydrophobicContact CD2-CG 3.92Å; F23-P84 HydrophobicContact CE1-CB 4.03Å; F23-P84 HydrophobicContact CE1-CG 4.36Å; F23-P84 HydrophobicContact CE2-CB 4.39Å; F23-P84 HydrophobicContact CE2-CG 3.86Å; F23-P84 HydrophobicContact CG-CB 4.47Å; F23-P84 HydrophobicContact CG-CG 4.22Å; F23-P84 HydrophobicContact CZ-CB 4.11Å; F23-P84 HydrophobicContact CZ-CG 4.07Å; L82-P84 VanDerWaalsContact O-CD 3.3Å; L82-P84 WeakPolarHBondContact O-CD 3.33Å; P84-G86 VanDerWaalsContact C-N 3.3Å; P84-G86 PolarHBondContact O-N 3.09Å; P84-Y87 WeakPolarHBondContact O-CA 3.47Å; P84-Y87 WeakPolarHBondContact O-CB 3.33Å; P84-Y87 PolarHBondContact O-N 3.4Å; P84-H88 PolarHBondContact O-CD2 2.61Å; P84-H88 PolarHBondContact O-N 3.34Å; P84-H88 VanDerWaalsContact O-N 3.07Å
85S97.8Very high97.8Very high53 Ų5348.6 Ų48.637%0.37127%0.267SS..Hα-helixtrans-57.3-40.2-173.460.90000113L19 S83 Y87 H88 A89L19-S85 WeakPolarHBondContact O-CB 3.47Å; S83-S85 VanDerWaalsContact C-N 3.32Å; S83-S85 PolarHBondContact O-N 3.37Å; S83-S85 PolarHBondContact OG-OG 3.17Å; S85-Y87 VanDerWaalsContact C-N 3.3Å; S85-Y87 PolarHBondContact O-N 3.43Å; S85-H88 PolarHBondContact O-N 3.46Å; S85-A89 WeakPolarHBondContact O-CB 3.44Å; S85-A89 PolarHBondContact O-N 2.69Å
86G97.8Very high97.8Very high4 Ų445.6 Ų45.64%0.04125%0.249CC..Hα-helixtrans-66-31.2176.300000113.3N76 P84 T90N76-G86 PolarHBondContact OD1-O 3.16Å; P84-G86 VanDerWaalsContact C-N 3.3Å; P84-G86 PolarHBondContact O-N 3.09Å; G86-T90 PolarHBondContact O-N 3.1Å; G86-T90 PolarHBondContact O-OG1 3.28Å
87Y98.6Very high97.8Very high0 Ų048 Ų480%026%0.264CS..Hα-helixtrans-73.1-45.4177.3-68.3-103.8000111.5F23 I31 L37 F73 N76 F77 E81 S83 P84 S85 T90 N91 V135 R138F23-Y87 HydrophobicContact CE1-CD1 4.41Å; F23-Y87 AromaticContact CE1-CD2 3.87Å; F23-Y87 HydrophobicContact CE1-CD2 3.87Å; F23-Y87 HydrophobicContact CE1-CE2 4.32Å; F23-Y87 AromaticContact CE1-CG 3.92Å; F23-Y87 HydrophobicContact CE1-CG 3.92Å; F23-Y87 AromaticContact CZ-CD2 3.65Å; F23-Y87 HydrophobicContact CZ-CD2 3.65Å; F23-Y87 AromaticContact CZ-CE2 3.72Å; F23-Y87 HydrophobicContact CZ-CE2 3.72Å; F23-Y87 HydrophobicContact CZ-CG 4.16Å; I31-Y87 HydrophobicContact CD1-CD1 4.27Å; I31-Y87 HydrophobicContact CD1-CE1 4.06Å; I31-Y87 HydrophobicContact CG2-CD1 4.39Å; I31-Y87 HydrophobicContact CG2-CE1 3.74Å; I31-Y87 HydrophobicContact CG2-CE2 4.48Å; L37-Y87 HydrophobicContact CD2-CE1 4.47Å; F73-Y87 HydrophobicContact CB-CE1 4.41Å; F73-Y87 HydrophobicContact CD1-CD1 4.11Å; F73-Y87 HydrophobicContact CD1-CE1 4.28Å; N76-Y87 HydrophobicContact CB-CD1 3.93Å; N76-Y87 HydrophobicContact CB-CE1 3.61Å; N76-Y87 HydrophobicContact CB-CE2 4.43Å; N76-Y87 HydrophobicContact CB-CG 4.47Å; N76-Y87 WeakPolarHBondContact ND2-CD2 3.41Å; N76-Y87 WeakPolarHBondContact OD1-CA 3.48Å; F77-Y87 WeakPolarHBondContact CA-OH 3.35Å; F77-Y87 WeakPolarHBondContact CB-OH 3.43Å; F77-Y87 PolarHBondContact N-OH 3.17Å; E81-Y87 VanDerWaalsContact O-CE2 3.31Å; E81-Y87 WeakPolarHBondContact O-CE2 3.46Å; E81-Y87 PolarHBondContact O-OH 3.38Å; S83-Y87 VanDerWaalsContact O-CD2 3.24Å; S83-Y87 WeakPolarHBondContact O-CD2 3.4Å; P84-Y87 WeakPolarHBondContact O-CA 3.47Å; P84-Y87 WeakPolarHBondContact O-CB 3.33Å; P84-Y87 PolarHBondContact O-N 3.4Å; S85-Y87 VanDerWaalsContact C-N 3.3Å; S85-Y87 PolarHBondContact O-N 3.43Å; Y87-T90 PolarHBondContact O-N 2.89Å; Y87-N91 PolarHBondContact O-N 3.24Å; Y87-N91 PolarHBondContact O-OD1 3.35Å; Y87-V135 HydrophobicContact CD1-CG1 3.82Å; Y87-V135 HydrophobicContact CG-CG1 4.16Å; Y87-R138 PolarHBondContact O-NH2 3.07Å
88H98.4Very high97.8Very high1 Ų147 Ų471%0.00526%0.259CS..Hα-helixtrans-62.3-43.3174.1-62.8-62.5000111.1S18 L19 C21 P84 S85 T90 N91 I92 T133 V135S18-H88 PolarHBondContact O-CD2 3.3Å; L19-H88 HydrophobicContact CD2-CB 4.2Å; C21-H88 PolarHBondContact O-NE2 2.92Å; P84-H88 PolarHBondContact O-CD2 2.61Å; P84-H88 PolarHBondContact O-N 3.34Å; P84-H88 VanDerWaalsContact O-N 3.07Å; S85-H88 PolarHBondContact O-N 3.46Å; H88-T90 VanDerWaalsContact C-N 3.3Å; H88-T90 PolarHBondContact O-N 2.88Å; H88-N91 WeakPolarHBondContact O-CB 3.41Å; H88-N91 PolarHBondContact O-N 3.05Å; H88-I92 WeakPolarHBondContact O-CG1 3.39Å; H88-I92 PolarHBondContact O-N 3.2Å; H88-T133 PolarHBondContact CE1-O 3.12Å; H88-T133 PolarHBondContact ND1-O 3.39Å; H88-V135 VanDerWaalsContact CE1-CG2 3.44Å; H88-V135 WeakPolarHBondContact CE1-CG2 3.11Å
89A98.1Very high97.9Very high36 Ų3640.7 Ų40.730%0.29823%0.226SC..Hα-helixtrans-56.4-44.2176.900000112.3L19 S85 N91 I92 V93L19-A89 HydrophobicContact CD2-CB 3.66Å; S85-A89 WeakPolarHBondContact O-CB 3.44Å; S85-A89 PolarHBondContact O-N 2.69Å; A89-N91 VanDerWaalsContact C-N 3.33Å; A89-N91 PolarHBondContact O-N 3.31Å; A89-I92 PolarHBondContact O-N 2.93Å; A89-V93 WeakPolarHBondContact O-CG2 3.47Å; A89-V93 PolarHBondContact O-N 3.46Å
90T98.4Very high97.9Very high48 Ų4836.7 Ų36.729%0.29421%0.209SC..Hα-helixtrans-61.6-41.5176.4-59.50000111.5N76 G86 Y87 H88 V93 L94N76-T90 PolarHBondContact OD1-OG1 3.22Å; G86-T90 PolarHBondContact O-N 3.1Å; G86-T90 PolarHBondContact O-OG1 3.28Å; Y87-T90 PolarHBondContact O-N 2.89Å; H88-T90 VanDerWaalsContact C-N 3.3Å; H88-T90 PolarHBondContact O-N 2.88Å; T90-V93 PolarHBondContact O-N 2.99Å; T90-L94 HydrophobicContact CG2-CD1 4.19Å; T90-L94 VanDerWaalsContact O-CG 3.32Å; T90-L94 WeakPolarHBondContact O-CG 3.34Å; T90-L94 PolarHBondContact O-N 2.8Å
91N98.6Very high97.9Very high0 Ų034 Ų340%020%0.197CC..Hα-helixtrans-65.5-39.7176.7-74.716.2000112Y87 H88 A89 V93 L94 H95 V132 G134 V135 R138 L141Y87-N91 PolarHBondContact O-N 3.24Å; Y87-N91 PolarHBondContact O-OD1 3.35Å; H88-N91 WeakPolarHBondContact O-CB 3.41Å; H88-N91 PolarHBondContact O-N 3.05Å; A89-N91 VanDerWaalsContact C-N 3.33Å; A89-N91 PolarHBondContact O-N 3.31Å; N91-V93 VanDerWaalsContact C-N 3.33Å; N91-V93 PolarHBondContact O-N 2.87Å; N91-L94 PolarHBondContact O-N 3.03Å; N91-H95 WeakPolarHBondContact O-CB 3.38Å; N91-H95 PolarHBondContact O-N 3.43Å; N91-V132 WeakPolarHBondContact CB-O 3.47Å; N91-V132 PolarHBondContact ND2-O 3.45Å; N91-G134 PolarHBondContact ND2-O 2.9Å; N91-V135 PolarHBondContact ND2-O 3.2Å; N91-R138 WeakPolarHBondContact OD1-CB 3.36Å; N91-R138 PolarHBondContact OD1-NE 2.97Å; N91-L141 HydrophobicContact CB-CD1 3.64Å; N91-L141 WeakPolarHBondContact O-CD1 3.43Å
92I98.4Very high98Very high11 Ų1127.6 Ų27.66%0.05617%0.167CC..Hα-helixtrans-60.2-43.8174.8-63.9172.1000111.1Y15 L19 H88 A89 H95 S96Y15-I92 WeakPolarHBondContact O-CD1 3.4Å; L19-I92 HydrophobicContact CD2-CD1 3.69Å; L19-I92 HydrophobicContact CG-CD1 3.92Å; H88-I92 WeakPolarHBondContact O-CG1 3.39Å; H88-I92 PolarHBondContact O-N 3.2Å; A89-I92 PolarHBondContact O-N 2.93Å; I92-H95 PolarHBondContact O-N 2.86Å; I92-S96 WeakPolarHBondContact O-CB 3.21Å; I92-S96 PolarHBondContact O-N 3.2Å; I92-S96 PolarHBondContact O-OG 3.45Å
93V97.8Very high98.1Very high91 Ų9124.6 Ų24.655%0.55215%0.151SC*.Hα-helixtrans-62-48.4176.6172.10000110.4A89 T90 N91 H95 S96 V97A89-V93 WeakPolarHBondContact O-CG2 3.47Å; A89-V93 PolarHBondContact O-N 3.46Å; T90-V93 PolarHBondContact O-N 2.99Å; N91-V93 VanDerWaalsContact C-N 3.33Å; N91-V93 PolarHBondContact O-N 2.87Å; V93-H95 PolarHBondContact O-N 2.94Å; V93-S96 WeakPolarHBondContact O-CB 3.48Å; V93-S96 PolarHBondContact O-N 3.12Å; V93-V97 WeakPolarHBondContact O-CG2 3.47Å; V93-V97 PolarHBondContact O-N 3.16Å
94L98.5Very high98.1Very high27 Ų2725.4 Ų25.414%0.14115%0.148CC..Hα-helixtrans-60.7-43.4178.2-70.4171.9000112T90 N91 S96 V97 V98 R138 L141 L142T90-L94 HydrophobicContact CG2-CD1 4.19Å; T90-L94 VanDerWaalsContact O-CG 3.32Å; T90-L94 WeakPolarHBondContact O-CG 3.34Å; T90-L94 PolarHBondContact O-N 2.8Å; N91-L94 PolarHBondContact O-N 3.03Å; L94-S96 VanDerWaalsContact C-N 3.32Å; L94-S96 PolarHBondContact O-N 3.36Å; L94-V97 WeakPolarHBondContact O-CB 3.47Å; L94-V97 PolarHBondContact O-N 3.12Å; L94-V98 WeakPolarHBondContact O-CG2 3.28Å; L94-V98 PolarHBondContact O-N 3.22Å; L94-R138 HydrophobicContact CD1-CG 3.88Å; L94-L141 HydrophobicContact CB-CB 3.88Å; L94-L141 HydrophobicContact CB-CD1 4.09Å; L94-L141 HydrophobicContact CD1-CB 4.33Å; L94-L142 HydrophobicContact CD1-CD2 3.86Å; L94-L142 HydrophobicContact CD1-CG 3.94Å; L94-L142 HydrophobicContact CD2-CD2 3.74Å; L94-L142 HydrophobicContact CG-CD2 4.48Å
95H98.4Very high98.1Very high0 Ų024 Ų240%014%0.139CC..Hα-helixtrans-59.7-43.2175.1-177.976.3000111.4Y15 N91 I92 V93 V97 V98 V99 S123 H128 V132 L141 Y402Y15-H95 AromaticContact CE2-CD2 3.85Å; Y15-H95 AromaticContact CE2-NE2 3.72Å; N91-H95 WeakPolarHBondContact O-CB 3.38Å; N91-H95 PolarHBondContact O-N 3.43Å; I92-H95 PolarHBondContact O-N 2.86Å; V93-H95 PolarHBondContact O-N 2.94Å; H95-V97 VanDerWaalsContact C-N 3.32Å; H95-V97 PolarHBondContact O-N 3.16Å; H95-V98 WeakPolarHBondContact O-CB 3.21Å; H95-V98 PolarHBondContact O-N 2.99Å; H95-V98 VanDerWaalsContact O-N 3.15Å; H95-V99 WeakPolarHBondContact O-CG2 3.21Å; H95-V99 PolarHBondContact O-N 3.13Å; H95-S123 PolarHBondContact NE2-O 2.93Å; H95-H128 AromaticContact CE1-ND1 3.74Å; H95-V132 HydrophobicContact CB-CG1 4.03Å; H95-V132 HydrophobicContact CB-CG2 3.96Å; H95-V132 WeakPolarHBondContact ND1-CG2 2.96Å; H95-L141 HydrophobicContact CB-CD2 4.14Å; H95-Y402 AromaticContact CE1-CE2 3.84Å; H95-Y402 AromaticContact ND1-CE2 3.57Å; H95-Y402 AromaticContact ND1-CZ 3.61Å; H95-Y402 PolarHBondContact ND1-OH 2.93Å
96S97.9Very high98.1Very high9 Ų921.4 Ų21.46%0.06312%0.121CC..Hα-helixtrans-61.9-38.2176.5-57.30000112.3S11 S12 I92 V93 L94 V99 F100S11-S96 WeakPolarHBondContact OG-CA 3.39Å; S11-S96 VanDerWaalsContact OG-CB 3.27Å; S11-S96 WeakPolarHBondContact OG-CB 3.42Å; S11-S96 PolarHBondContact OG-OG 3.01Å; S12-S96 PolarHBondContact OG-OG 3.47Å; I92-S96 WeakPolarHBondContact O-CB 3.21Å; I92-S96 PolarHBondContact O-N 3.2Å; I92-S96 PolarHBondContact O-OG 3.45Å; V93-S96 WeakPolarHBondContact O-CB 3.48Å; V93-S96 PolarHBondContact O-N 3.12Å; L94-S96 VanDerWaalsContact C-N 3.32Å; L94-S96 PolarHBondContact O-N 3.36Å; S96-V99 PolarHBondContact O-N 3.4Å; S96-F100 WeakPolarHBondContact O-CB 3.48Å; S96-F100 PolarHBondContact O-N 3.41Å
97V97.7Very high98Very high57 Ų5724.1 Ų24.135%0.34513%0.134SC..Hα-helixtrans-64.1-44.1172.81750000111.1V93 L94 H95 V99 F100 L101 V145V93-V97 WeakPolarHBondContact O-CG2 3.47Å; V93-V97 PolarHBondContact O-N 3.16Å; L94-V97 WeakPolarHBondContact O-CB 3.47Å; L94-V97 PolarHBondContact O-N 3.12Å; H95-V97 VanDerWaalsContact C-N 3.32Å; H95-V97 PolarHBondContact O-N 3.16Å; V97-V99 PolarHBondContact O-N 3.08Å; V97-F100 PolarHBondContact O-N 2.98Å; V97-L101 HydrophobicContact CG1-CD1 4.05Å; V97-L101 HydrophobicContact CG1-CG 4.4Å; V97-L101 WeakPolarHBondContact O-CG 3.21Å; V97-L101 PolarHBondContact O-N 2.85Å; V97-V145 HydrophobicContact CB-CG2 4.32Å; V97-V145 HydrophobicContact CG1-CG1 4.12Å; V97-V145 HydrophobicContact CG1-CG2 3.92Å
98V98.4Very high97.7Very high0 Ų027.3 Ų27.30%016%0.155CC..Hα-helixtrans-60.1-46.3175.9175.90000110.9L94 H95 F100 L101 F102 F122 V145 L148 Y402L94-V98 WeakPolarHBondContact O-CG2 3.28Å; L94-V98 PolarHBondContact O-N 3.22Å; H95-V98 WeakPolarHBondContact O-CB 3.21Å; H95-V98 PolarHBondContact O-N 2.99Å; H95-V98 VanDerWaalsContact O-N 3.15Å; V98-F100 VanDerWaalsContact C-N 3.32Å; V98-F100 PolarHBondContact O-N 2.9Å; V98-L101 PolarHBondContact O-N 2.98Å; V98-F102 WeakPolarHBondContact O-CB 3.13Å; V98-F102 PolarHBondContact O-N 3.11Å; V98-F122 HydrophobicContact CG1-CE1 3.89Å; V98-F122 HydrophobicContact CG1-CZ 4Å; V98-V145 HydrophobicContact CG2-CG2 3.58Å; V98-L148 HydrophobicContact CG1-CD1 3.78Å; V98-Y402 WeakPolarHBondContact CB-OH 3.34Å; V98-Y402 HydrophobicContact CG1-CE1 4.02Å; V98-Y402 WeakPolarHBondContact CG1-OH 3.31Å; V98-Y402 HydrophobicContact CG2-CE1 4.48Å
99V98.2Very high97.6Very high0 Ų027.6 Ų27.60%016%0.157CC..Hα-helixtrans-57.9-44.5176.71720000110.9L7 H95 S96 V97 F102 F103 F122L7-V99 HydrophobicContact CB-CG1 4.26Å; L7-V99 HydrophobicContact CD2-CG1 4.27Å; H95-V99 WeakPolarHBondContact O-CG2 3.21Å; H95-V99 PolarHBondContact O-N 3.13Å; S96-V99 PolarHBondContact O-N 3.4Å; V97-V99 PolarHBondContact O-N 3.08Å; V99-F102 PolarHBondContact O-N 3.33Å; V99-F103 PolarHBondContact O-N 2.87Å; V99-F122 HydrophobicContact CG2-CD1 3.98Å; V99-F122 HydrophobicContact CG2-CE1 4.17Å
100F97.1Very high97.4Very high67 Ų6726 Ų2629%0.29414%0.143SC..Hα-helixtrans-62.2-47.6177170.9-99000112.3E4 S96 V97 V98 F102 F103 K104E4-F100 HydrophobicContact CB-CD2 4.16Å; E4-F100 HydrophobicContact CB-CE2 4.03Å; E4-F100 HydrophobicContact CG-CD2 4.3Å; E4-F100 HydrophobicContact CG-CE2 3.94Å; S96-F100 WeakPolarHBondContact O-CB 3.48Å; S96-F100 PolarHBondContact O-N 3.41Å; V97-F100 PolarHBondContact O-N 2.98Å; V98-F100 VanDerWaalsContact C-N 3.32Å; V98-F100 PolarHBondContact O-N 2.9Å; F100-F102 VanDerWaalsContact C-N 3.32Å; F100-F102 PolarHBondContact O-N 3.35Å; F100-F103 WeakPolarHBondContact O-CB 3.48Å; F100-F103 PolarHBondContact O-N 3.18Å; F100-K104 HydrophobicContact CE1-CG 4.35Å; F100-K104 HydrophobicContact CZ-CD 4.47Å; F100-K104 HydrophobicContact CZ-CG 4.33Å; F100-K104 PolarHBondContact O-N 3.43Å; F100-K104 VanDerWaalsContact O-N 3.11Å
101L97.9Very high97Very high22 Ų2225.9 Ų25.912%0.11514%0.139CC..Hα-helixtrans-63.8-39.2177.6-67.2173.6000111.3V97 V98 F103 K104 L105 V145 L148 L152V97-L101 HydrophobicContact CG1-CD1 4.05Å; V97-L101 HydrophobicContact CG1-CG 4.4Å; V97-L101 WeakPolarHBondContact O-CG 3.21Å; V97-L101 PolarHBondContact O-N 2.85Å; V98-L101 PolarHBondContact O-N 2.98Å; L101-F103 VanDerWaalsContact C-N 3.34Å; L101-F103 PolarHBondContact O-N 3.47Å; L101-K104 WeakPolarHBondContact O-CB 3.41Å; L101-K104 PolarHBondContact O-N 2.72Å; L101-L105 PolarHBondContact O-N 2.87Å; L101-V145 HydrophobicContact CD1-CG1 4.12Å; L101-L148 HydrophobicContact CB-CB 3.84Å; L101-L148 HydrophobicContact CB-CD1 3.86Å; L101-L148 HydrophobicContact CB-CG 4.48Å; L101-L148 HydrophobicContact CD1-CB 4.12Å; L101-L152 HydrophobicContact CB-CD1 4.25Å; L101-L152 HydrophobicContact CD2-CD1 3.98Å
102F98.3Very high96.8Very high0 Ų033.4 Ų33.40%017%0.172CC..Hα-helixtrans-64.7-38.4175.5-179.9-122.9000112V98 V99 F100 K104 L105 C106 F122 L148 L406 C409 L410V98-F102 WeakPolarHBondContact O-CB 3.13Å; V98-F102 PolarHBondContact O-N 3.11Å; V99-F102 PolarHBondContact O-N 3.33Å; F100-F102 VanDerWaalsContact C-N 3.32Å; F100-F102 PolarHBondContact O-N 3.35Å; F102-K104 VanDerWaalsContact C-N 3.33Å; F102-K104 PolarHBondContact O-N 2.71Å; F102-L105 HydrophobicContact CD2-CD2 4.36Å; F102-L105 WeakPolarHBondContact O-CB 3.45Å; F102-L105 PolarHBondContact O-N 3.32Å; F102-L105 VanDerWaalsContact O-N 3.13Å; F102-C106 VanDerWaalsContact CE2-SG 3.57Å; F102-C106 WeakPolarHBondContact CZ-SG 3.39Å; F102-C106 PolarHBondContact O-N 3.34Å; F102-C106 PolarHBondContact O-SG 2.96Å; F102-F122 HydrophobicContact CD1-CB 3.84Å; F102-F122 HydrophobicContact CD1-CD1 4.14Å; F102-F122 HydrophobicContact CD1-CD2 4.42Å; F102-F122 AromaticContact CD1-CG 3.88Å; F102-F122 HydrophobicContact CD1-CG 3.88Å; F102-F122 HydrophobicContact CE1-CB 3.68Å; F102-F122 HydrophobicContact CE1-CD2 4.37Å; F102-F122 HydrophobicContact CE1-CG 4.03Å; F102-L148 HydrophobicContact CB-CD1 4.19Å; F102-L406 HydrophobicContact CB-CD2 3.84Å; F102-L406 HydrophobicContact CD1-CD2 4.21Å; F102-L406 HydrophobicContact CD2-CB 4.15Å; F102-L406 HydrophobicContact CD2-CD2 3.36Å; F102-L406 HydrophobicContact CD2-CG 4.34Å; F102-L406 HydrophobicContact CE2-CB 3.9Å; F102-L406 HydrophobicContact CE2-CD2 3.9Å; F102-L406 VanDerWaalsContact CE2-O 3.29Å; F102-L406 WeakPolarHBondContact CE2-O 3.42Å; F102-L406 HydrophobicContact CG-CD2 3.53Å; F102-L406 VanDerWaalsContact CZ-O 3.23Å; F102-L406 WeakPolarHBondContact CZ-O 3.42Å; F102-C409 HydrophobicContact CE1-CB 4.02Å; F102-C409 HydrophobicContact CZ-CB 3.98Å; F102-L410 HydrophobicContact CE2-CB 4.47Å; F102-L410 HydrophobicContact CZ-CB 4.32Å
103F97.9Very high96.4Very high7 Ų735.9 Ų35.93%0.03118%0.183CC..Hα-helixtrans-60.8-41.5173177.1-118.2000112.1E4 L7 V99 F100 L101 L105 C106 L107 A115 F116 S119E4-F103 HydrophobicContact CG-CD1 4.06Å; E4-F103 HydrophobicContact CG-CE1 3.84Å; L7-F103 HydrophobicContact CD1-CB 3.72Å; L7-F103 HydrophobicContact CD1-CD1 3.85Å; L7-F103 HydrophobicContact CD1-CD2 3.82Å; L7-F103 HydrophobicContact CD1-CE1 4.42Å; L7-F103 HydrophobicContact CD1-CE2 4.4Å; L7-F103 HydrophobicContact CD1-CG 3.51Å; V99-F103 PolarHBondContact O-N 2.87Å; F100-F103 WeakPolarHBondContact O-CB 3.48Å; F100-F103 PolarHBondContact O-N 3.18Å; L101-F103 VanDerWaalsContact C-N 3.34Å; L101-F103 PolarHBondContact O-N 3.47Å; F103-L105 VanDerWaalsContact C-N 3.31Å; F103-L105 PolarHBondContact O-N 2.97Å; F103-C106 PolarHBondContact O-N 3.1Å; F103-L107 HydrophobicContact CD1-CD1 4.16Å; F103-L107 HydrophobicContact CD2-CG 4.49Å; F103-L107 HydrophobicContact CE1-CD1 3.7Å; F103-L107 HydrophobicContact CE1-CG 4.39Å; F103-L107 HydrophobicContact CE2-CD1 4.3Å; F103-L107 HydrophobicContact CE2-CD2 4.19Å; F103-L107 HydrophobicContact CE2-CG 4.11Å; F103-L107 HydrophobicContact CZ-CD1 3.78Å; F103-L107 HydrophobicContact CZ-CD2 4.11Å; F103-L107 HydrophobicContact CZ-CG 4.06Å; F103-L107 WeakPolarHBondContact O-CG 3.2Å; F103-L107 PolarHBondContact O-N 3.46Å; F103-A115 HydrophobicContact CD2-CB 4.32Å; F103-A115 HydrophobicContact CE2-CB 4.08Å; F103-F116 HydrophobicContact CE2-CB 3.94Å; F103-F116 HydrophobicContact CE2-CD2 4.42Å; F103-S119 WeakPolarHBondContact CA-OG 3.36Å; F103-S119 WeakPolarHBondContact CB-OG 3.39Å; F103-S119 WeakPolarHBondContact CD2-OG 3.28Å
104K97.3Very high96.3Very high70 Ų7031.5 Ų31.530%0.30416%0.157SC..Hα-helixtrans-61.5-39.9173.2-63.7-58-170.7175.50112E4 F100 L101 F102 L107 C108 L152E4-K104 IonicContact OE1-NZ 3.76Å; E4-K104 PolarHBondContact OE1-NZ 3.19Å; F100-K104 HydrophobicContact CE1-CG 4.35Å; F100-K104 HydrophobicContact CZ-CD 4.47Å; F100-K104 HydrophobicContact CZ-CG 4.33Å; F100-K104 PolarHBondContact O-N 3.43Å; F100-K104 VanDerWaalsContact O-N 3.11Å; L101-K104 WeakPolarHBondContact O-CB 3.41Å; L101-K104 PolarHBondContact O-N 2.72Å; F102-K104 VanDerWaalsContact C-N 3.33Å; F102-K104 PolarHBondContact O-N 2.71Å; K104-L107 PolarHBondContact O-N 2.74Å; K104-C108 PolarHBondContact O-SG 3.15Å; K104-L152 HydrophobicContact CB-CD1 4.02Å; K104-L152 HydrophobicContact CB-CD2 4.23Å
105L97.9Very high96.2Very high0 Ų030.2 Ų30.20%015%0.15CC..Hα-helixtrans-64.7-46.6175.5-175.265.2000111L101 F102 F103 L107 C108 Y109 L148 L151 L152 L155 L377L101-L105 PolarHBondContact O-N 2.87Å; F102-L105 HydrophobicContact CD2-CD2 4.36Å; F102-L105 WeakPolarHBondContact O-CB 3.45Å; F102-L105 PolarHBondContact O-N 3.32Å; F102-L105 VanDerWaalsContact O-N 3.13Å; F103-L105 VanDerWaalsContact C-N 3.31Å; F103-L105 PolarHBondContact O-N 2.97Å; L105-L107 VanDerWaalsContact C-N 3.29Å; L105-L107 PolarHBondContact O-N 2.78Å; L105-C108 VanDerWaalsContact O-CB 3.23Å; L105-C108 WeakPolarHBondContact O-CB 3.48Å; L105-C108 PolarHBondContact O-N 2.98Å; L105-Y109 HydrophobicContact CD1-CE2 4.01Å; L105-Y109 WeakPolarHBondContact O-CD2 3.24Å; L105-L148 HydrophobicContact CD2-CD2 3.8Å; L105-L151 HydrophobicContact CD1-CD2 4Å; L105-L151 HydrophobicContact CD1-CG 4.25Å; L105-L151 HydrophobicContact CD2-CD2 3.8Å; L105-L152 HydrophobicContact CB-CD2 4.04Å; L105-L152 HydrophobicContact CD1-CD2 4.09Å; L105-L155 HydrophobicContact CD1-CD1 3.55Å; L105-L377 HydrophobicContact CD2-CD1 3.81Å
106C97.7Very high96Very high0 Ų032 Ų320%016%0.158CC..Hα-helixtrans-58.6-39.8178.1-69.60000112.1F102 F103 C108 Y109 L110 A115F102-C106 VanDerWaalsContact CE2-SG 3.57Å; F102-C106 WeakPolarHBondContact CZ-SG 3.39Å; F102-C106 PolarHBondContact O-N 3.34Å; F102-C106 PolarHBondContact O-SG 2.96Å; F103-C106 PolarHBondContact O-N 3.1Å; C106-C108 PolarHBondContact O-N 3.37Å; C106-C108 VanDerWaalsContact O-N 3.12Å; C106-Y109 CarbonylContact O-C 3.54Å; C106-Y109 PolarHBondContact O-N 3.33Å; C106-L110 WeakPolarHBondContact O-CB 3.3Å; C106-L110 PolarHBondContact O-N 3.42Å; C106-A115 HydrophobicContact CB-CB 3.62Å
107L95.7Very high95.9Very high61 Ų6132.2 Ų32.232%0.31916%0.158SC..THydrogen-bonded Turntrans-61.6-18.4176.1-73.4172.7000114F103 K104 L105 Y109 K112 A115F103-L107 HydrophobicContact CD1-CD1 4.16Å; F103-L107 HydrophobicContact CD2-CG 4.49Å; F103-L107 HydrophobicContact CE1-CD1 3.7Å; F103-L107 HydrophobicContact CE1-CG 4.39Å; F103-L107 HydrophobicContact CE2-CD1 4.3Å; F103-L107 HydrophobicContact CE2-CD2 4.19Å; F103-L107 HydrophobicContact CE2-CG 4.11Å; F103-L107 HydrophobicContact CZ-CD1 3.78Å; F103-L107 HydrophobicContact CZ-CD2 4.11Å; F103-L107 HydrophobicContact CZ-CG 4.06Å; F103-L107 WeakPolarHBondContact O-CG 3.2Å; F103-L107 PolarHBondContact O-N 3.46Å; K104-L107 PolarHBondContact O-N 2.74Å; L105-L107 VanDerWaalsContact C-N 3.29Å; L105-L107 PolarHBondContact O-N 2.78Å; L107-Y109 VanDerWaalsContact C-N 3.31Å; L107-K112 HydrophobicContact CD2-CB 4.42Å; L107-K112 HydrophobicContact CD2-CG 3.98Å; L107-A115 HydrophobicContact CD2-CB 3.9Å; L107-A115 HydrophobicContact CG-CB 4.2Å
108C94.1Very high95.9Very high66 Ų6629.5 Ų29.545%0.44614%0.141SC..THydrogen-bonded Turntrans-77.3-19.1174.3-57.60000112.8K104 L105 C106K104-C108 PolarHBondContact O-SG 3.15Å; L105-C108 VanDerWaalsContact O-CB 3.23Å; L105-C108 WeakPolarHBondContact O-CB 3.48Å; L105-C108 PolarHBondContact O-N 2.98Å; C106-C108 PolarHBondContact O-N 3.37Å; C106-C108 VanDerWaalsContact O-N 3.12Å
109Y94.4Very high95.9Very high8 Ų829.5 Ų29.53%0.03114%0.141CC..THydrogen-bonded Turntrans-132.4-4.9-169.3-64.6-81.2000114.5L105 C106 L107 L155 H366 R369 A370 M373L105-Y109 HydrophobicContact CD1-CE2 4.01Å; L105-Y109 WeakPolarHBondContact O-CD2 3.24Å; C106-Y109 CarbonylContact O-C 3.54Å; C106-Y109 PolarHBondContact O-N 3.33Å; L107-Y109 VanDerWaalsContact C-N 3.31Å; Y109-L155 HydrophobicContact CE2-CD1 4.16Å; Y109-H366 PolarHBondContact O-CE1 3.21Å; Y109-H366 PolarHBondContact O-NE2 3.03Å; Y109-R369 HydrophobicContact CD1-CB 4.31Å; Y109-R369 HydrophobicContact CE1-CB 4.34Å; Y109-A370 HydrophobicContact CD1-CB 4.49Å; Y109-M373 HydrophobicContact CD1-CB 4.28Å; Y109-M373 HydrophobicContact CD2-CB 4.5Å; Y109-M373 HydrophobicContact CD2-CG 4.16Å; Y109-M373 HydrophobicContact CE1-CB 3.88Å; Y109-M373 HydrophobicContact CE1-CG 4.35Å; Y109-M373 HydrophobicContact CE2-CB 4.16Å; Y109-M373 HydrophobicContact CE2-CE 4.21Å; Y109-M373 HydrophobicContact CE2-CG 3.7Å; Y109-M373 WeakPolarHBondContact OH-CE 3.34Å
110L94.4Very high95.8Very high3 Ų330.5 Ų30.52%0.01615%0.146CC..SBendtrans-143157.1-176.1-66.5-178000110.2C106 A115 S118 L410 L414C106-L110 WeakPolarHBondContact O-CB 3.3Å; C106-L110 PolarHBondContact O-N 3.42Å; L110-A115 HydrophobicContact CB-CB 4.08Å; L110-S118 WeakPolarHBondContact CD1-OG 3.44Å; L110-L410 HydrophobicContact CD1-CD1 3.64Å; L110-L410 HydrophobicContact CG-CD1 3.85Å; L110-L414 HydrophobicContact CD2-CB 3.95Å; L110-L414 HydrophobicContact CD2-CD1 3.96Å
111Q91.5Very high95.8Very high45 Ų4527.5 Ų27.521%0.2113%0.133CC..  trans-66.1158.3170.4-65.4-170.726.400112.1E113 S114 A115 E417 L422 K423 F424Q111-E113 PolarHBondContact O-N 3.15Å; Q111-S114 PolarHBondContact O-N 3.42Å; Q111-S114 VanDerWaalsContact O-N 3.13Å; Q111-A115 VanDerWaalsContact O-CB 3.25Å; Q111-A115 WeakPolarHBondContact O-CB 3.46Å; Q111-A115 PolarHBondContact O-N 3.08Å; Q111-E417 VanDerWaalsContact CB-OE2 3.31Å; Q111-E417 WeakPolarHBondContact CB-OE2 3.39Å; Q111-E417 WeakPolarHBondContact CG-OE2 3.21Å; Q111-E417 PolarHBondContact N-OE2 3.27Å; Q111-L422 VanDerWaalsContact NE2-CB 3.29Å; Q111-K423 PolarHBondContact NE2-O 3.47Å; Q111-F424 HydrophobicContact CG-CD2 3.92Å
112K92.4Very high95.8Very high158 Ų15826.5 Ų26.569%0.68713%0.128SC*.Hα-helixtrans-55-29.4-177.4-65-177.8-178.3176.60114.4K3 L107 F116K3-K112 PolarHBondContact NZ-O 3.32Å; L107-K112 HydrophobicContact CD2-CB 4.42Å; L107-K112 HydrophobicContact CD2-CG 3.98Å; K112-F116 WeakPolarHBondContact O-CB 3.26Å; K112-F116 PolarHBondContact O-N 3.23Å
113E91.8Very high95.8Very high62 Ų6226.5 Ų26.529%0.2913%0.128SC..Hα-helixtrans-75.4-54.8176.3-170.5179.3168.700110.5Q111 A115 F116 F117 F416 R455Q111-E113 PolarHBondContact O-N 3.15Å; E113-A115 PolarHBondContact O-N 3.22Å; E113-F116 PolarHBondContact O-N 3.4Å; E113-F117 WeakPolarHBondContact O-CB 3.38Å; E113-F117 PolarHBondContact O-N 2.86Å; E113-F416 HydrophobicContact CG-CE1 4.43Å; E113-R455 IonicContact OE1-CZ 3.28Å; E113-R455 VanDerWaalsContact OE1-CZ 3.28Å; E113-R455 IonicContact OE1-NE 2.7Å; E113-R455 PolarHBondContact OE1-NE 2.92Å; E113-R455 IonicContact OE1-NH2 2.99Å; E113-R455 PolarHBondContact OE1-NH2 3.4Å; E113-R455 IonicContact OE2-CZ 3.99Å; E113-R455 IonicContact OE2-NH2 2.99Å; E113-R455 PolarHBondContact OE2-NH2 3.13Å
114S94.6Very high95.8Very high0 Ų026.1 Ų26.10%013%0.127CC..Hα-helixtrans-63.1-37.7-179.9-35.10000113.2Q111 F117 S118 E417Q111-S114 PolarHBondContact O-N 3.42Å; Q111-S114 VanDerWaalsContact O-N 3.13Å; S114-F117 PolarHBondContact O-N 2.87Å; S114-S118 WeakPolarHBondContact O-CB 3.47Å; S114-S118 PolarHBondContact O-N 2.91Å; S114-S118 PolarHBondContact O-OG 3.14Å; S114-E417 WeakPolarHBondContact CB-OE2 3.38Å; S114-E417 VanDerWaalsContact OG-CB 3.3Å; S114-E417 WeakPolarHBondContact OG-CB 3.39Å; S114-E417 PolarHBondContact OG-OE2 3.42Å
115A96.1Very high95.8Very high0 Ų022.8 Ų22.80%011%0.112CC..Hα-helixtrans-64.2-43.6175.600000111.9F103 C106 L107 L110 Q111 E113 S118 S119F103-A115 HydrophobicContact CD2-CB 4.32Å; F103-A115 HydrophobicContact CE2-CB 4.08Å; C106-A115 HydrophobicContact CB-CB 3.62Å; L107-A115 HydrophobicContact CD2-CB 3.9Å; L107-A115 HydrophobicContact CG-CB 4.2Å; L110-A115 HydrophobicContact CB-CB 4.08Å; Q111-A115 VanDerWaalsContact O-CB 3.25Å; Q111-A115 WeakPolarHBondContact O-CB 3.46Å; Q111-A115 PolarHBondContact O-N 3.08Å; E113-A115 PolarHBondContact O-N 3.22Å; A115-S118 PolarHBondContact O-N 3.02Å; A115-S119 WeakPolarHBondContact O-CB 3.4Å; A115-S119 PolarHBondContact O-N 3.21Å; A115-S119 VanDerWaalsContact O-N 3.1Å; A115-S119 PolarHBondContact O-OG 2.77Å
116F95.6Very high95.8Very high36 Ų3622.8 Ų22.816%0.15811%0.112CC..Hα-helixtrans-65.2-44.8176.8180-102.9000110.6K3 L6 L7 F103 K112 E113 S118 S119 I120K3-F116 HydrophobicContact CB-CD2 3.91Å; K3-F116 HydrophobicContact CB-CE2 3.91Å; K3-F116 HydrophobicContact CD-CB 4.43Å; K3-F116 HydrophobicContact CD-CD2 3.96Å; K3-F116 HydrophobicContact CD-CE2 4.43Å; K3-F116 HydrophobicContact CD-CG 4.21Å; K3-F116 HydrophobicContact CG-CD2 4.08Å; K3-F116 HydrophobicContact CG-CE2 4.08Å; L6-F116 HydrophobicContact CD2-CE2 4.39Å; L6-F116 HydrophobicContact CD2-CZ 3.78Å; L6-F116 HydrophobicContact CG-CZ 4.4Å; L7-F116 HydrophobicContact CD1-CD2 4.03Å; L7-F116 HydrophobicContact CD1-CE2 4.28Å; L7-F116 HydrophobicContact CD2-CD2 4.18Å; L7-F116 HydrophobicContact CD2-CE2 3.99Å; L7-F116 HydrophobicContact CG-CD2 3.99Å; L7-F116 HydrophobicContact CG-CE2 3.75Å; F103-F116 HydrophobicContact CE2-CB 3.94Å; F103-F116 HydrophobicContact CE2-CD2 4.42Å; K112-F116 WeakPolarHBondContact O-CB 3.26Å; K112-F116 PolarHBondContact O-N 3.23Å; E113-F116 PolarHBondContact O-N 3.4Å; F116-S118 PolarHBondContact O-N 3.46Å; F116-S119 PolarHBondContact O-N 3.19Å; F116-I120 HydrophobicContact CD1-CD1 3.9Å; F116-I120 HydrophobicContact CE1-CD1 3.24Å; F116-I120 HydrophobicContact CE1-CG1 4.19Å; F116-I120 HydrophobicContact CE2-CD1 4.25Å; F116-I120 HydrophobicContact CZ-CD1 3.45Å; F116-I120 VanDerWaalsContact CZ-CD1 3.45Å; F116-I120 HydrophobicContact CZ-CG1 4.2Å; F116-I120 PolarHBondContact O-N 3.27Å
117F94.6Very high95.8Very high14 Ų1422.8 Ų22.86%0.06111%0.112CC..Hα-helixtrans-56.5-49174.3168.4-98000112.3E113 S114 S119 I120 L121 I412 F416 M458 I462E113-F117 WeakPolarHBondContact O-CB 3.38Å; E113-F117 PolarHBondContact O-N 2.86Å; S114-F117 PolarHBondContact O-N 2.87Å; F117-S119 PolarHBondContact O-N 3.26Å; F117-I120 PolarHBondContact O-N 2.92Å; F117-L121 HydrophobicContact CE1-CD2 4.33Å; F117-L121 HydrophobicContact CZ-CB 4.17Å; F117-L121 HydrophobicContact CZ-CD2 4.08Å; F117-L121 WeakPolarHBondContact O-CB 3.39Å; F117-L121 PolarHBondContact O-N 3.24Å; F117-I412 HydrophobicContact CE1-CG2 3.97Å; F117-I412 HydrophobicContact CZ-CG2 4.36Å; F117-F416 HydrophobicContact CB-CD1 4.33Å; F117-F416 HydrophobicContact CB-CE1 4.28Å; F117-F416 HydrophobicContact CD1-CB 4.16Å; F117-F416 AromaticContact CD1-CD1 3.98Å; F117-F416 HydrophobicContact CD1-CD1 3.98Å; F117-F416 HydrophobicContact CD1-CG 4.08Å; F117-F416 HydrophobicContact CE1-CB 4.34Å; F117-F416 HydrophobicContact CG-CD1 4.13Å; F117-F416 HydrophobicContact CG-CE1 4.29Å; F117-F416 HydrophobicContact CG-CG 4.49Å; F117-M458 HydrophobicContact CD2-CB 4.47Å; F117-M458 HydrophobicContact CD2-CG 3.81Å; F117-M458 HydrophobicContact CE1-CE 3.62Å; F117-M458 HydrophobicContact CE1-CG 3.98Å; F117-M458 HydrophobicContact CE2-CB 3.96Å; F117-M458 HydrophobicContact CE2-CE 4.08Å; F117-M458 HydrophobicContact CE2-CG 3.02Å; F117-M458 HydrophobicContact CE2-SD 4.37Å; F117-M458 HydrophobicContact CZ-CB 4.48Å; F117-M458 HydrophobicContact CZ-CE 3.16Å; F117-M458 HydrophobicContact CZ-CG 3.16Å; F117-M458 HydrophobicContact CZ-SD 3.97Å; F117-I462 HydrophobicContact CD2-CD1 3.66Å; F117-I462 HydrophobicContact CE2-CD1 3.43Å; F117-I462 VanDerWaalsContact CE2-CD1 3.43Å; F117-I462 HydrophobicContact CE2-CG1 3.96Å
118S97.6Very high96Very high0 Ų019.9 Ų19.90%010%0.097CC..Hα-helixtrans-59-38.2178.4-52.60000112.3L110 S114 A115 F116 L121 F122 G413L110-S118 WeakPolarHBondContact CD1-OG 3.44Å; S114-S118 WeakPolarHBondContact O-CB 3.47Å; S114-S118 PolarHBondContact O-N 2.91Å; S114-S118 PolarHBondContact O-OG 3.14Å; A115-S118 PolarHBondContact O-N 3.02Å; F116-S118 PolarHBondContact O-N 3.46Å; S118-L121 PolarHBondContact O-N 3.46Å; S118-F122 WeakPolarHBondContact O-CB 3.35Å; S118-F122 PolarHBondContact O-N 3.02Å; S118-G413 WeakPolarHBondContact OG-CA 3.43Å
119S98Very high96.1Very high0 Ų016.8 Ų16.80%08%0.076CC..Hα-helixtrans-74.7-36.9-177.9-53.80000112.2F103 A115 F116 F117 S123F103-S119 WeakPolarHBondContact CA-OG 3.36Å; F103-S119 WeakPolarHBondContact CB-OG 3.39Å; F103-S119 WeakPolarHBondContact CD2-OG 3.28Å; A115-S119 WeakPolarHBondContact O-CB 3.4Å; A115-S119 PolarHBondContact O-N 3.21Å; A115-S119 VanDerWaalsContact O-N 3.1Å; A115-S119 PolarHBondContact O-OG 2.77Å; F116-S119 PolarHBondContact O-N 3.19Å; F117-S119 PolarHBondContact O-N 3.26Å; S119-S123 VanDerWaalsContact O-CB 3.27Å; S119-S123 WeakPolarHBondContact O-CB 3.26Å; S119-S123 PolarHBondContact O-N 3.36Å
120I96.9Very high96.3Very high22 Ų2216.7 Ų16.711%0.1138%0.076CC..Hα-helixtrans-63.9-45.1170.6-75.6-174000110.6L7 F10 F116 F117 F122 S123 A124 I462L7-I120 HydrophobicContact CD2-CG1 3.58Å; F10-I120 HydrophobicContact CD1-CG1 4.48Å; F10-I120 HydrophobicContact CE1-CB 4.39Å; F10-I120 HydrophobicContact CE1-CG1 4.43Å; F10-I120 HydrophobicContact CE1-CG2 3.68Å; F10-I120 HydrophobicContact CZ-CG2 3.9Å; F116-I120 HydrophobicContact CD1-CD1 3.9Å; F116-I120 HydrophobicContact CE1-CD1 3.24Å; F116-I120 HydrophobicContact CE1-CG1 4.19Å; F116-I120 HydrophobicContact CE2-CD1 4.25Å; F116-I120 HydrophobicContact CZ-CD1 3.45Å; F116-I120 VanDerWaalsContact CZ-CD1 3.45Å; F116-I120 HydrophobicContact CZ-CG1 4.2Å; F116-I120 PolarHBondContact O-N 3.27Å; F117-I120 PolarHBondContact O-N 2.92Å; I120-F122 VanDerWaalsContact C-N 3.33Å; I120-F122 PolarHBondContact O-N 2.68Å; I120-S123 PolarHBondContact O-N 3.49Å; I120-A124 WeakPolarHBondContact O-CB 3.45Å; I120-A124 PolarHBondContact O-N 3.21Å; I120-I462 HydrophobicContact CB-CD1 4.4Å; I120-I462 HydrophobicContact CG2-CB 4.32Å; I120-I462 HydrophobicContact CG2-CD1 3.56Å; I120-I462 HydrophobicContact CG2-CG1 3.87Å; I120-I462 HydrophobicContact CG2-CG2 3.46Å; I120-I462 VanDerWaalsContact CG2-CG2 3.46Å
121L97.3Very high96.4Very high4 Ų416.6 Ų16.62%0.0218%0.075CC..Hα-helixtrans-59.7-46.2178.6-177.568.3000111F117 S118 A124 H125 I412 I461 F465F117-L121 HydrophobicContact CE1-CD2 4.33Å; F117-L121 HydrophobicContact CZ-CB 4.17Å; F117-L121 HydrophobicContact CZ-CD2 4.08Å; F117-L121 WeakPolarHBondContact O-CB 3.39Å; F117-L121 PolarHBondContact O-N 3.24Å; S118-L121 PolarHBondContact O-N 3.46Å; L121-A124 PolarHBondContact O-N 2.91Å; L121-H125 WeakPolarHBondContact O-CB 3.32Å; L121-H125 PolarHBondContact O-N 3.03Å; L121-I412 HydrophobicContact CD2-CB 3.94Å; L121-I412 HydrophobicContact CD2-CG1 4.26Å; L121-I412 HydrophobicContact CD2-CG2 3.74Å; L121-I461 HydrophobicContact CD1-CG2 4.35Å; L121-F465 HydrophobicContact CD1-CD2 3.64Å; L121-F465 HydrophobicContact CD1-CE2 3.67Å
122F98.4Very high96.7Very high0 Ų014.4 Ų14.40%07%0.065CC..Hα-helixtrans-59.9-50.6173.7179-91.3000110.9V98 V99 F102 S118 I120 A124 H125 H128 Y402 S405 L406 C409V98-F122 HydrophobicContact CG1-CE1 3.89Å; V98-F122 HydrophobicContact CG1-CZ 4Å; V99-F122 HydrophobicContact CG2-CD1 3.98Å; V99-F122 HydrophobicContact CG2-CE1 4.17Å; F102-F122 HydrophobicContact CD1-CB 3.84Å; F102-F122 HydrophobicContact CD1-CD1 4.14Å; F102-F122 HydrophobicContact CD1-CD2 4.42Å; F102-F122 AromaticContact CD1-CG 3.88Å; F102-F122 HydrophobicContact CD1-CG 3.88Å; F102-F122 HydrophobicContact CE1-CB 3.68Å; F102-F122 HydrophobicContact CE1-CD2 4.37Å; F102-F122 HydrophobicContact CE1-CG 4.03Å; S118-F122 WeakPolarHBondContact O-CB 3.35Å; S118-F122 PolarHBondContact O-N 3.02Å; I120-F122 VanDerWaalsContact C-N 3.33Å; I120-F122 PolarHBondContact O-N 2.68Å; F122-A124 PolarHBondContact O-N 2.83Å; F122-H125 WeakPolarHBondContact O-CB 3.49Å; F122-H125 PolarHBondContact O-N 2.88Å; F122-H125 VanDerWaalsContact O-N 3.16Å; F122-H128 AromaticContact CD2-CE1 3.47Å; F122-H128 VanDerWaalsContact CD2-CE1 3.47Å; F122-H128 WeakPolarHBondContact CD2-CE1 3.06Å; F122-H128 AromaticContact CE2-CE1 3.39Å; F122-H128 WeakPolarHBondContact CE2-CE1 3.39Å; F122-H128 AromaticContact CE2-NE2 3.76Å; F122-H128 AromaticContact CG-CE1 3.82Å; F122-H128 AromaticContact CZ-CE1 3.67Å; F122-H128 PolarHBondContact O-CE1 3.48Å; F122-H128 PolarHBondContact O-ND1 3.49Å; F122-Y402 HydrophobicContact CE1-CE2 4.49Å; F122-Y402 HydrophobicContact CZ-CE1 4.24Å; F122-Y402 HydrophobicContact CZ-CE2 4.02Å; F122-Y402 AromaticContact CZ-CZ 3.78Å; F122-S405 VanDerWaalsContact CE2-OG 3.23Å; F122-S405 WeakPolarHBondContact CE2-OG 3.32Å; F122-L406 HydrophobicContact CD2-CD2 3.88Å; F122-L406 HydrophobicContact CD2-CG 4.44Å; F122-L406 HydrophobicContact CE1-CD2 4.16Å; F122-L406 HydrophobicContact CE2-CD2 3.33Å; F122-L406 HydrophobicContact CE2-CG 3.74Å; F122-L406 HydrophobicContact CG-CD2 4.49Å; F122-L406 HydrophobicContact CZ-CD2 3.51Å; F122-L406 HydrophobicContact CZ-CG 4.2Å; F122-C409 HydrophobicContact CB-CB 4.05Å
123S97.7Very high97Very high0 Ų06.9 Ų6.90%03%0.032CC..Hα-helixtrans-57.6-33.1-179.8179.50000114.1S11 H95 S119 I120S11-S123 VanDerWaalsContact CA-OG 3.26Å; S11-S123 WeakPolarHBondContact CA-OG 3.27Å; S11-S123 WeakPolarHBondContact CB-OG 3.28Å; H95-S123 PolarHBondContact NE2-O 2.93Å; S119-S123 VanDerWaalsContact O-CB 3.27Å; S119-S123 WeakPolarHBondContact O-CB 3.26Å; S119-S123 PolarHBondContact O-N 3.36Å; I120-S123 PolarHBondContact O-N 3.49Å
124A97.3Very high97.3Very high0 Ų04 Ų40%02%0.018CC..THydrogen-bonded Turntrans-96.1-0.1-177.100000113.7F10 I14 I120 L121 F122 P126 F465 V466 T469F10-A124 HydrophobicContact CE1-CB 4.19Å; F10-A124 HydrophobicContact CZ-CB 4.46Å; I14-A124 HydrophobicContact CD1-CB 3.89Å; I120-A124 WeakPolarHBondContact O-CB 3.45Å; I120-A124 PolarHBondContact O-N 3.21Å; L121-A124 PolarHBondContact O-N 2.91Å; F122-A124 PolarHBondContact O-N 2.83Å; A124-P126 WeakPolarHBondContact O-CD 3.34Å; A124-F465 HydrophobicContact CB-CB 4.25Å; A124-F465 CarbonylContact O-C 3.56Å; A124-V466 HydrophobicContact CB-CG2 3.68Å; A124-T469 PolarHBondContact O-OG1 3.45Å
125H98.2Very high97.4Very high0 Ų04 Ų40%02%0.018CC..  trans-68.9120.3-167.9-161.7-65.4000112.2L121 F122 V127 H128 L315 F408 F465L121-H125 WeakPolarHBondContact O-CB 3.32Å; L121-H125 PolarHBondContact O-N 3.03Å; F122-H125 WeakPolarHBondContact O-CB 3.49Å; F122-H125 PolarHBondContact O-N 2.88Å; F122-H125 VanDerWaalsContact O-N 3.16Å; H125-V127 VanDerWaalsContact C-N 3.28Å; H125-V127 VanDerWaalsContact CE1-CG1 3.46Å; H125-V127 WeakPolarHBondContact CE1-CG1 3.39Å; H125-V127 WeakPolarHBondContact ND1-CB 3.43Å; H125-V127 WeakPolarHBondContact ND1-CG1 3.43Å; H125-V127 PolarHBondContact ND1-N 3.03Å; H125-V127 PolarHBondContact O-N 2.78Å; H125-V127 VanDerWaalsContact O-N 3.14Å; H125-H128 WeakPolarHBondContact O-CB 3.21Å; H125-H128 PolarHBondContact O-N 3.37Å; H125-L315 PolarHBondContact NE2-O 3.47Å; H125-F408 AromaticContact NE2-CE1 3.88Å; H125-F465 AromaticContact CD2-CE2 3.72Å; H125-F465 AromaticContact NE2-CE2 3.98Å
126P98.1Very high97.5Very high0 Ų04.6 Ų4.60%02%0.022CC..G310 helixtrans-62.5-27-173.2-22.430.2000115.8A124 H128 T129 P318 L321 F465 K468 T469A124-P126 WeakPolarHBondContact O-CD 3.34Å; P126-H128 PolarHBondContact O-N 3.46Å; P126-H128 VanDerWaalsContact O-N 3.1Å; P126-T129 PolarHBondContact O-N 2.69Å; P126-T129 VanDerWaalsContact O-N 3.11Å; P126-T129 PolarHBondContact O-OG1 3.17Å; P126-P318 HydrophobicContact CB-CB 4.03Å; P126-P318 HydrophobicContact CB-CG 4.12Å; P126-P318 HydrophobicContact CG-CB 4.26Å; P126-P318 HydrophobicContact CG-CG 3.77Å; P126-L321 HydrophobicContact CB-CD1 3.9Å; P126-L321 WeakPolarHBondContact O-CD1 3.48Å; P126-F465 HydrophobicContact CG-CB 4.35Å; P126-F465 HydrophobicContact CG-CG 4.31Å; P126-K468 HydrophobicContact CB-CB 4.28Å; P126-K468 HydrophobicContact CB-CG 3.72Å; P126-K468 HydrophobicContact CG-CB 3.71Å; P126-K468 HydrophobicContact CG-CG 3.6Å; P126-T469 WeakPolarHBondContact CA-OG1 3.32Å; P126-T469 WeakPolarHBondContact CG-OG1 3.26Å
127V97.8Very high97.6Very high0 Ų02.9 Ų2.90%02%0.015CC..G310 helixtrans-58.8-18.8173.487.30000113.4H125 T129 L315 L321 E398 L401H125-V127 VanDerWaalsContact C-N 3.28Å; H125-V127 VanDerWaalsContact CE1-CG1 3.46Å; H125-V127 WeakPolarHBondContact CE1-CG1 3.39Å; H125-V127 WeakPolarHBondContact ND1-CB 3.43Å; H125-V127 WeakPolarHBondContact ND1-CG1 3.43Å; H125-V127 PolarHBondContact ND1-N 3.03Å; H125-V127 PolarHBondContact O-N 2.78Å; H125-V127 VanDerWaalsContact O-N 3.14Å; V127-T129 VanDerWaalsContact C-N 3.32Å; V127-L315 HydrophobicContact CG1-CD2 4.16Å; V127-L321 HydrophobicContact CB-CD2 4.48Å; V127-L321 HydrophobicContact CG2-CD2 4.16Å; V127-E398 HydrophobicContact CG2-CB 3.85Å; V127-E398 HydrophobicContact CG2-CG 4.33Å; V127-L401 HydrophobicContact CG2-CB 4.22Å; V127-L401 HydrophobicContact CG2-CD1 4Å
128H98.2Very high97.8Very high0 Ų02.3 Ų2.30%01%0.012CC..G310 helixtrans-81.8-11.3179.4-60.8170.7000113.1Y15 H95 F122 H125 P126 E130 A131 V132 Y402 S405Y15-H128 WeakPolarHBondContact OH-CB 3.41Å; H95-H128 AromaticContact CE1-ND1 3.74Å; F122-H128 AromaticContact CD2-CE1 3.47Å; F122-H128 VanDerWaalsContact CD2-CE1 3.47Å; F122-H128 WeakPolarHBondContact CD2-CE1 3.06Å; F122-H128 AromaticContact CE2-CE1 3.39Å; F122-H128 WeakPolarHBondContact CE2-CE1 3.39Å; F122-H128 AromaticContact CE2-NE2 3.76Å; F122-H128 AromaticContact CG-CE1 3.82Å; F122-H128 AromaticContact CZ-CE1 3.67Å; F122-H128 PolarHBondContact O-CE1 3.48Å; F122-H128 PolarHBondContact O-ND1 3.49Å; H125-H128 WeakPolarHBondContact O-CB 3.21Å; H125-H128 PolarHBondContact O-N 3.37Å; P126-H128 PolarHBondContact O-N 3.46Å; P126-H128 VanDerWaalsContact O-N 3.1Å; H128-E130 PolarHBondContact O-N 3.27Å; H128-A131 CarbonylContact O-C 3.56Å; H128-A131 PolarHBondContact O-N 3.31Å; H128-V132 HydrophobicContact CB-CG2 4.16Å; H128-V132 WeakPolarHBondContact O-CG2 3.29Å; H128-V132 PolarHBondContact O-N 2.96Å; H128-Y402 HydrophobicContact CB-CD2 3.9Å; H128-Y402 HydrophobicContact CB-CE2 3.95Å; H128-Y402 AromaticContact CD2-CD2 3.48Å; H128-Y402 VanDerWaalsContact CD2-CD2 3.48Å; H128-Y402 WeakPolarHBondContact CD2-CD2 3.43Å; H128-Y402 AromaticContact CD2-CE2 3.98Å; H128-Y402 AromaticContact CG-CD2 3.55Å; H128-Y402 AromaticContact CG-CE2 3.63Å; H128-Y402 AromaticContact ND1-CE2 3.71Å; H128-Y402 AromaticContact NE2-CD2 3.97Å; H128-S405 PolarHBondContact NE2-OG 3.34Å
129T97.9Very high97.8Very high0 Ų02.3 Ų2.30%01%0.012CC..Hα-helixtrans-56.9-38.9-176.5-610000112P126 V127 A131 V132 T133 R472 N473P126-T129 PolarHBondContact O-N 2.69Å; P126-T129 VanDerWaalsContact O-N 3.11Å; P126-T129 PolarHBondContact O-OG1 3.17Å; V127-T129 VanDerWaalsContact C-N 3.32Å; T129-A131 PolarHBondContact O-N 3.48Å; T129-V132 PolarHBondContact O-N 2.91Å; T129-T133 WeakPolarHBondContact O-CA 3.31Å; T129-T133 WeakPolarHBondContact O-CB 3.36Å; T129-T133 PolarHBondContact O-N 3.08Å; T129-R472 HydrophobicContact CG2-CB 4.12Å; T129-R472 HydrophobicContact CG2-CG 3.62Å; T129-R472 WeakPolarHBondContact OG1-CG 3.21Å; T129-N473 WeakPolarHBondContact CG2-OD1 3.4Å
130E97.1Very high97.8Very high7 Ų72.4 Ų2.43%0.0331%0.013CC..Hα-helixtrans-62.1-41.6174.2-175.9179.8-17100112.7H128 G134 E398 R399 W476H128-E130 PolarHBondContact O-N 3.27Å; E130-G134 WeakPolarHBondContact O-CA 3.31Å; E130-G134 PolarHBondContact O-N 3.32Å; E130-E398 HydrophobicContact CB-CB 4.23Å; E130-E398 WeakPolarHBondContact OE2-CA 3.49Å; E130-E398 WeakPolarHBondContact OE2-CB 3.32Å; E130-E398 PolarHBondContact OE2-N 3.08Å; E130-R399 HydrophobicContact CB-CB 4.47Å; E130-R399 HydrophobicContact CG-CB 3.97Å; E130-R399 HydrophobicContact CG-CG 4.46Å; E130-R399 IonicContact OE1-CZ 3.83Å; E130-R399 IonicContact OE1-NE 3.97Å; E130-R399 IonicContact OE1-NH1 3.71Å; E130-R399 PolarHBondContact OE1-NH1 3.5Å; E130-R399 PolarHBondContact OE2-N 3.46Å; E130-W476 HydrophobicContact CB-CH2 4.31Å; E130-W476 HydrophobicContact CB-CZ2 3.77Å; E130-W476 HydrophobicContact CG-CH2 3.7Å; E130-W476 HydrophobicContact CG-CZ2 3.65Å
131A97.7Very high97.9Very high0 Ų01.3 Ų1.30%01%0.007CC..Hα-helixtrans-75.2-26.6-179.200000113.5H128 T129 G137 E140 L141 R399 Y402H128-A131 CarbonylContact O-C 3.56Å; H128-A131 PolarHBondContact O-N 3.31Å; T129-A131 PolarHBondContact O-N 3.48Å; A131-G137 CarbonylContact O-C 3.6Å; A131-G137 VanDerWaalsContact O-C 3.22Å; A131-G137 VanDerWaalsContact O-CA 3.3Å; A131-G137 WeakPolarHBondContact O-CA 3.48Å; A131-E140 HydrophobicContact CB-CB 4.16Å; A131-E140 HydrophobicContact CB-CG 4.37Å; A131-L141 WeakPolarHBondContact O-CG 3.11Å; A131-R399 HydrophobicContact CB-CB 4.45Å; A131-Y402 HydrophobicContact CB-CD2 3.68Å; A131-Y402 HydrophobicContact CB-CE2 4.41Å; A131-Y402 HydrophobicContact CB-CG 3.9Å
132V98.3Very high98Very high0 Ų02 Ų20%01%0.011CC..Hα-helixtrans-99.2-52.3-176.1-176.90000111.5Y15 N91 H95 H128 T129 L141 Y402Y15-V132 HydrophobicContact CD1-CB 3.99Å; Y15-V132 HydrophobicContact CD1-CG1 3.57Å; Y15-V132 HydrophobicContact CD2-CG1 3.97Å; Y15-V132 HydrophobicContact CE1-CB 3.66Å; Y15-V132 HydrophobicContact CE1-CG1 3.75Å; Y15-V132 HydrophobicContact CE1-CG2 4.21Å; Y15-V132 HydrophobicContact CE2-CB 4.45Å; Y15-V132 HydrophobicContact CE2-CG1 4.13Å; Y15-V132 HydrophobicContact CE2-CG2 4.32Å; Y15-V132 HydrophobicContact CG-CG1 3.69Å; N91-V132 WeakPolarHBondContact CB-O 3.47Å; N91-V132 PolarHBondContact ND2-O 3.45Å; H95-V132 HydrophobicContact CB-CG1 4.03Å; H95-V132 HydrophobicContact CB-CG2 3.96Å; H95-V132 WeakPolarHBondContact ND1-CG2 2.96Å; H128-V132 HydrophobicContact CB-CG2 4.16Å; H128-V132 WeakPolarHBondContact O-CG2 3.29Å; H128-V132 PolarHBondContact O-N 2.96Å; T129-V132 PolarHBondContact O-N 2.91Å; V132-L141 HydrophobicContact CG2-CD2 4.11Å; V132-Y402 HydrophobicContact CG2-CE2 4.3Å
133T98.2Very high98Very high0 Ų02 Ų20%01%0.011CC..THydrogen-bonded Turntrans-79.6-41.6-175.1-60.30000111.5H88 T129 V135 N473 W476H88-T133 PolarHBondContact CE1-O 3.12Å; H88-T133 PolarHBondContact ND1-O 3.39Å; T129-T133 WeakPolarHBondContact O-CA 3.31Å; T129-T133 WeakPolarHBondContact O-CB 3.36Å; T129-T133 PolarHBondContact O-N 3.08Å; T133-V135 PolarHBondContact O-N 3.41Å; T133-N473 PolarHBondContact OG1-OD1 3.39Å; T133-W476 HydrophobicContact CG2-CB 3.46Å; T133-W476 VanDerWaalsContact CG2-CB 3.46Å; T133-W476 HydrophobicContact CG2-CG 3.85Å
134G96.9Very high98Very high0 Ų02 Ų20%01%0.011CC..SBendtrans-63.3124.6169.600000110.2N91 E130 V136 G137N91-G134 PolarHBondContact ND2-O 2.9Å; E130-G134 WeakPolarHBondContact O-CA 3.31Å; E130-G134 PolarHBondContact O-N 3.32Å; G134-V136 VanDerWaalsContact C-N 3.31Å; G134-V136 PolarHBondContact O-N 3.03Å; G134-G137 WeakPolarHBondContact O-CA 3.35Å; G134-G137 PolarHBondContact O-N 2.56Å
135V98Very high98.1Very high0 Ų03 Ų30%02%0.017CC..G310 helixtrans-63.2-40.6-174175.10000110.8F23 D27 I31 F73 Y87 H88 N91 T133 G137 R138F23-V135 HydrophobicContact CD1-CG2 4.15Å; F23-V135 HydrophobicContact CE1-CG2 4.19Å; D27-V135 HydrophobicContact CB-CB 4.31Å; D27-V135 WeakPolarHBondContact OD1-CA 3.4Å; D27-V135 WeakPolarHBondContact OD1-CB 3.46Å; D27-V135 PolarHBondContact OD1-N 3.47Å; D27-V135 PolarHBondContact OD2-N 2.9Å; I31-V135 HydrophobicContact CD1-CG1 4.11Å; I31-V135 HydrophobicContact CG1-CG1 4.09Å; F73-V135 HydrophobicContact CD1-CG1 4.34Å; F73-V135 HydrophobicContact CE1-CG1 3.7Å; F73-V135 HydrophobicContact CZ-CG1 4.32Å; Y87-V135 HydrophobicContact CD1-CG1 3.82Å; Y87-V135 HydrophobicContact CG-CG1 4.16Å; H88-V135 VanDerWaalsContact CE1-CG2 3.44Å; H88-V135 WeakPolarHBondContact CE1-CG2 3.11Å; N91-V135 PolarHBondContact ND2-O 3.2Å; T133-V135 PolarHBondContact O-N 3.41Å; V135-G137 PolarHBondContact O-N 2.7Å; V135-G137 VanDerWaalsContact O-N 3.13Å; V135-R138 VanDerWaalsContact O-CB 3.23Å; V135-R138 WeakPolarHBondContact O-CB 3.47Å; V135-R138 PolarHBondContact O-N 3.02Å
136V97.5Very high98.1Very high13 Ų135.2 Ų5.28%0.0793%0.027CC..G310 helixtrans-58.9-23.3175-67.70000113.7D26 D27 A30 F51 W52 G134 R138 A139D26-V136 HydrophobicContact CB-CG1 4.09Å; D26-V136 HydrophobicContact CB-CG2 3.87Å; D27-V136 WeakPolarHBondContact OD1-CG1 3.45Å; D27-V136 PolarHBondContact OD1-N 3.27Å; A30-V136 HydrophobicContact CB-CG1 3.43Å; A30-V136 VanDerWaalsContact CB-CG1 3.43Å; F51-V136 HydrophobicContact CE1-CB 4.04Å; F51-V136 HydrophobicContact CE1-CG1 3.84Å; F51-V136 HydrophobicContact CZ-CB 3.97Å; F51-V136 HydrophobicContact CZ-CG1 3.97Å; W52-V136 HydrophobicContact CZ3-CG1 4.49Å; G134-V136 VanDerWaalsContact C-N 3.31Å; G134-V136 PolarHBondContact O-N 3.03Å; V136-R138 PolarHBondContact O-N 3.33Å; V136-A139 PolarHBondContact O-N 3.08Å
137G97.5Very high98.1Very high1 Ų15.2 Ų5.21%0.013%0.027CC..G310 helixtrans-57.3-12.6171.700000114.1A131 G134 V135 A139 E140 L141A131-G137 CarbonylContact O-C 3.6Å; A131-G137 VanDerWaalsContact O-C 3.22Å; A131-G137 VanDerWaalsContact O-CA 3.3Å; A131-G137 WeakPolarHBondContact O-CA 3.48Å; G134-G137 WeakPolarHBondContact O-CA 3.35Å; G134-G137 PolarHBondContact O-N 2.56Å; V135-G137 PolarHBondContact O-N 2.7Å; V135-G137 VanDerWaalsContact O-N 3.13Å; G137-A139 PolarHBondContact O-N 3.01Å; G137-A139 VanDerWaalsContact O-N 3.11Å; G137-E140 VanDerWaalsContact C-OE2 3.28Å; G137-E140 WeakPolarHBondContact CA-OE2 3.4Å; G137-E140 WeakPolarHBondContact O-CB 3.4Å; G137-E140 PolarHBondContact O-N 3.33Å; G137-L141 PolarHBondContact O-N 3.36Å
138R98.5Very high98.2Very high1 Ų15.2 Ų5.20%0.0043%0.027CC..Hα-helixtrans-52.4-32173.1-171.2171.7-63-174.80.5113.1T69 T72 F73 N76 Y87 N91 L94 V135 V136 E140 L141 L142T69-R138 HydrophobicContact CG2-CB 4.22Å; T69-R138 HydrophobicContact CG2-CG 4.26Å; T72-R138 PolarHBondContact O-NH1 3.14Å; T72-R138 WeakPolarHBondContact OG1-CD 3.39Å; F73-R138 HydrophobicContact CE1-CB 3.76Å; F73-R138 VanDerWaalsContact CE1-CD 3.44Å; F73-R138 HydrophobicContact CE1-CG 4.17Å; F73-R138 HydrophobicContact CZ-CB 3.88Å; N76-R138 PolarHBondContact OD1-NH1 2.96Å; N76-R138 PolarHBondContact OD1-NH2 3.48Å; Y87-R138 PolarHBondContact O-NH2 3.07Å; N91-R138 WeakPolarHBondContact OD1-CB 3.36Å; N91-R138 PolarHBondContact OD1-NE 2.97Å; L94-R138 HydrophobicContact CD1-CG 3.88Å; V135-R138 VanDerWaalsContact O-CB 3.23Å; V135-R138 WeakPolarHBondContact O-CB 3.47Å; V135-R138 PolarHBondContact O-N 3.02Å; V136-R138 PolarHBondContact O-N 3.33Å; R138-E140 PolarHBondContact O-N 2.69Å; R138-L141 PolarHBondContact O-N 2.76Å; R138-L142 HydrophobicContact CG-CD1 3.79Å; R138-L142 HydrophobicContact CG-CG 4.06Å; R138-L142 WeakPolarHBondContact O-CB 3.39Å; R138-L142 WeakPolarHBondContact O-CG 3.39Å; R138-L142 PolarHBondContact O-N 3.31Å
139A98.5Very high98.2Very high0 Ų06.7 Ų6.70%04%0.037CC..Hα-helixtrans-60.2-45.4176.500000111.6T69 V136 G137 S143 K186T69-A139 HydrophobicContact CG2-CB 4.1Å; V136-A139 PolarHBondContact O-N 3.08Å; G137-A139 PolarHBondContact O-N 3.01Å; G137-A139 VanDerWaalsContact O-N 3.11Å; A139-S143 WeakPolarHBondContact O-CB 3.29Å; A139-S143 PolarHBondContact O-N 3.41Å; A139-K186 HydrophobicContact CB-CB 4.29Å; A139-K186 HydrophobicContact CB-CD 4.39Å
140E98.2Very high98.2Very high2 Ų26.7 Ų6.71%0.0094%0.037CC..Hα-helixtrans-62.7-44.5176.6-70.266.6-16100111.3A131 G137 R138 S144 K186 R399 Y402A131-E140 HydrophobicContact CB-CB 4.16Å; A131-E140 HydrophobicContact CB-CG 4.37Å; G137-E140 VanDerWaalsContact C-OE2 3.28Å; G137-E140 WeakPolarHBondContact CA-OE2 3.4Å; G137-E140 WeakPolarHBondContact O-CB 3.4Å; G137-E140 PolarHBondContact O-N 3.33Å; R138-E140 PolarHBondContact O-N 2.69Å; E140-S144 WeakPolarHBondContact O-CB 3.24Å; E140-S144 PolarHBondContact O-N 2.96Å; E140-S144 PolarHBondContact O-OG 3.18Å; E140-K186 HydrophobicContact CG-CD 4.16Å; E140-K186 WeakPolarHBondContact OE1-CE 3.48Å; E140-K186 IonicContact OE1-NZ 3.74Å; E140-K186 PolarHBondContact OE1-NZ 3.31Å; E140-R399 HydrophobicContact CG-CB 4.11Å; E140-R399 WeakPolarHBondContact CG-O 3.38Å; E140-Y402 HydrophobicContact CB-CD1 4.27Å; E140-Y402 HydrophobicContact CB-CG 4.5Å
141L98.7Very high98.3Very high0 Ų06.4 Ų6.40%04%0.036CC..Hα-helixtrans-66.3-53.2-178.3-58.2177.7000111.4N91 L94 H95 A131 V132 G137 R138 S143 S144 V145 Y402N91-L141 HydrophobicContact CB-CD1 3.64Å; N91-L141 WeakPolarHBondContact O-CD1 3.43Å; L94-L141 HydrophobicContact CB-CB 3.88Å; L94-L141 HydrophobicContact CB-CD1 4.09Å; L94-L141 HydrophobicContact CD1-CB 4.33Å; H95-L141 HydrophobicContact CB-CD2 4.14Å; A131-L141 WeakPolarHBondContact O-CG 3.11Å; V132-L141 HydrophobicContact CG2-CD2 4.11Å; G137-L141 PolarHBondContact O-N 3.36Å; R138-L141 PolarHBondContact O-N 2.76Å; L141-S143 PolarHBondContact O-N 3.2Å; L141-S144 PolarHBondContact O-N 3Å; L141-S144 VanDerWaalsContact O-N 3.14Å; L141-V145 WeakPolarHBondContact O-CG2 3.09Å; L141-V145 PolarHBondContact O-N 3.4Å; L141-Y402 HydrophobicContact CD2-CE1 3.79Å; L141-Y402 HydrophobicContact CD2-CE2 4.01Å; L141-Y402 VanDerWaalsContact CD2-CZ 3.5Å
142L98.7Very high98.3Very high17 Ų178 Ų89%0.0894%0.044CC..Hα-helixtrans-59.4-48.6178.2-74.6171.7000111.1T69 T72 L94 R138 S144 V145 F146 C185T69-L142 HydrophobicContact CG2-CD1 4.32Å; T72-L142 HydrophobicContact CG2-CD1 3.73Å; T72-L142 HydrophobicContact CG2-CD2 4.45Å; L94-L142 HydrophobicContact CD1-CD2 3.86Å; L94-L142 HydrophobicContact CD1-CG 3.94Å; L94-L142 HydrophobicContact CD2-CD2 3.74Å; L94-L142 HydrophobicContact CG-CD2 4.48Å; R138-L142 HydrophobicContact CG-CD1 3.79Å; R138-L142 HydrophobicContact CG-CG 4.06Å; R138-L142 WeakPolarHBondContact O-CB 3.39Å; R138-L142 WeakPolarHBondContact O-CG 3.39Å; R138-L142 PolarHBondContact O-N 3.31Å; L142-S144 PolarHBondContact O-N 3.3Å; L142-V145 PolarHBondContact O-N 3.25Å; L142-F146 WeakPolarHBondContact O-CD2 3.36Å; L142-F146 PolarHBondContact O-N 3.24Å; L142-F146 VanDerWaalsContact O-N 3.15Å; L142-C185 HydrophobicContact CB-CB 3.81Å
143S98.5Very high98.2Very high0 Ų010.7 Ų10.70%06%0.058CC..Hα-helixtrans-56.3-41176.2173.60000111.5A139 L141 F146 F147 C189A139-S143 WeakPolarHBondContact O-CB 3.29Å; A139-S143 PolarHBondContact O-N 3.41Å; L141-S143 PolarHBondContact O-N 3.2Å; S143-F146 PolarHBondContact O-N 2.9Å; S143-F147 WeakPolarHBondContact O-CB 3.5Å; S143-F147 PolarHBondContact O-N 3.47Å; S143-C189 WeakPolarHBondContact OG-CB 3.45Å; S143-C189 PolarHBondContact OG-N 2.95Å
144S98.7Very high98Very high0 Ų011 Ų110%06%0.059CC..Hα-helixtrans-70.4-34.1179.8-62.40000113.2E140 L141 L142 L148 Y402 T403E140-S144 WeakPolarHBondContact O-CB 3.24Å; E140-S144 PolarHBondContact O-N 2.96Å; E140-S144 PolarHBondContact O-OG 3.18Å; L141-S144 PolarHBondContact O-N 3Å; L141-S144 VanDerWaalsContact O-N 3.14Å; L142-S144 PolarHBondContact O-N 3.3Å; S144-L148 WeakPolarHBondContact O-CB 3.26Å; S144-L148 WeakPolarHBondContact O-CG 3.22Å; S144-L148 PolarHBondContact O-N 3.39Å; S144-Y402 WeakPolarHBondContact OG-CD1 3.26Å; S144-T403 PolarHBondContact OG-OG1 2.97Å; S144-T403 VanDerWaalsContact OG-OG1 3.09Å
145V98.7Very high97.9Very high23 Ų2311.1 Ų11.114%0.1396%0.06CC..Hα-helixtrans-59.3-54.8171.61720000109.7V97 V98 L101 L141 L142 F147 L148 S149V97-V145 HydrophobicContact CB-CG2 4.32Å; V97-V145 HydrophobicContact CG1-CG1 4.12Å; V97-V145 HydrophobicContact CG1-CG2 3.92Å; V98-V145 HydrophobicContact CG2-CG2 3.58Å; L101-V145 HydrophobicContact CD1-CG1 4.12Å; L141-V145 WeakPolarHBondContact O-CG2 3.09Å; L141-V145 PolarHBondContact O-N 3.4Å; L142-V145 PolarHBondContact O-N 3.25Å; V145-F147 VanDerWaalsContact C-N 3.34Å; V145-F147 PolarHBondContact O-N 2.99Å; V145-L148 PolarHBondContact O-N 2.99Å; V145-S149 WeakPolarHBondContact O-CB 3.45Å; V145-S149 PolarHBondContact O-N 3.43Å; V145-S149 PolarHBondContact O-OG 3.33Å; V145-S149 VanDerWaalsContact O-OG 3.08Å
146F98.6Very high97.5Very high45 Ų4518.8 Ų18.820%0.1979%0.093CC..Hα-helixtrans-63.1-40179.6-69.9-67.1000112.6L142 S143 S149 A150 L178 I181L142-F146 WeakPolarHBondContact O-CD2 3.36Å; L142-F146 PolarHBondContact O-N 3.24Å; L142-F146 VanDerWaalsContact O-N 3.15Å; S143-F146 PolarHBondContact O-N 2.9Å; F146-S149 PolarHBondContact O-N 2.91Å; F146-A150 WeakPolarHBondContact O-CB 3.36Å; F146-A150 PolarHBondContact O-N 2.93Å; F146-L178 HydrophobicContact CD1-CD2 3.68Å; F146-L178 HydrophobicContact CE1-CD2 4.09Å; F146-I181 HydrophobicContact CD1-CB 4.4Å; F146-I181 HydrophobicContact CD1-CG2 4.21Å; F146-I181 HydrophobicContact CD2-CG2 4.04Å; F146-I181 HydrophobicContact CE1-CB 4.26Å; F146-I181 HydrophobicContact CE1-CG2 3.74Å; F146-I181 HydrophobicContact CE2-CG2 3.56Å; F146-I181 HydrophobicContact CG-CG2 4.37Å; F146-I181 HydrophobicContact CZ-CB 4.38Å; F146-I181 HydrophobicContact CZ-CG2 3.4Å; F146-I181 VanDerWaalsContact CZ-CG2 3.4Å
147F98.7Very high97.1Very high1 Ų118.5 Ų18.50%0.0049%0.092CC..Hα-helixtrans-58.6-50.3176.5-178.7-79.6000111.9S143 V145 L151 V192 I195 L377 P381 T403S143-F147 WeakPolarHBondContact O-CB 3.5Å; S143-F147 PolarHBondContact O-N 3.47Å; V145-F147 VanDerWaalsContact C-N 3.34Å; V145-F147 PolarHBondContact O-N 2.99Å; F147-L151 HydrophobicContact CE1-CD2 4.49Å; F147-L151 WeakPolarHBondContact O-CB 3.45Å; F147-L151 PolarHBondContact O-N 3.45Å; F147-V192 HydrophobicContact CD1-CG2 4.39Å; F147-V192 HydrophobicContact CD2-CB 3.61Å; F147-V192 HydrophobicContact CD2-CG2 4.09Å; F147-V192 HydrophobicContact CE1-CG2 4.24Å; F147-V192 HydrophobicContact CE2-CB 3.49Å; F147-V192 VanDerWaalsContact CE2-CB 3.49Å; F147-V192 HydrophobicContact CE2-CG2 3.96Å; F147-V192 HydrophobicContact CG-CB 4.28Å; F147-V192 HydrophobicContact CG-CG2 4.32Å; F147-V192 HydrophobicContact CZ-CB 4.06Å; F147-V192 HydrophobicContact CZ-CG2 4.04Å; F147-I195 HydrophobicContact CE1-CD1 4.1Å; F147-I195 HydrophobicContact CE2-CD1 4.42Å; F147-I195 HydrophobicContact CZ-CD1 3.47Å; F147-I195 VanDerWaalsContact CZ-CD1 3.47Å; F147-L377 HydrophobicContact CE1-CD2 3.68Å; F147-L377 HydrophobicContact CZ-CD2 4.18Å; F147-P381 HydrophobicContact CE2-CG 4.06Å; F147-P381 HydrophobicContact CZ-CG 3.77Å; F147-T403 HydrophobicContact CD1-CG2 4.23Å; F147-T403 HydrophobicContact CD2-CG2 4.44Å; F147-T403 HydrophobicContact CE1-CG2 4.04Å; F147-T403 HydrophobicContact CE2-CG2 4.24Å; F147-T403 HydrophobicContact CG-CG2 4.43Å; F147-T403 HydrophobicContact CZ-CG2 4.02Å
148L98.7Very high96.6Very high0 Ų019.7 Ų19.70%010%0.101CC..Hα-helixtrans-71-38.3-179.7-74.6172.2000112.1V98 L101 F102 L105 S144 V145 L151 L152 L406V98-L148 HydrophobicContact CG1-CD1 3.78Å; L101-L148 HydrophobicContact CB-CB 3.84Å; L101-L148 HydrophobicContact CB-CD1 3.86Å; L101-L148 HydrophobicContact CB-CG 4.48Å; L101-L148 HydrophobicContact CD1-CB 4.12Å; F102-L148 HydrophobicContact CB-CD1 4.19Å; L105-L148 HydrophobicContact CD2-CD2 3.8Å; S144-L148 WeakPolarHBondContact O-CB 3.26Å; S144-L148 WeakPolarHBondContact O-CG 3.22Å; S144-L148 PolarHBondContact O-N 3.39Å; V145-L148 PolarHBondContact O-N 2.99Å; L148-L151 PolarHBondContact O-N 3.35Å; L148-L152 WeakPolarHBondContact O-CB 3.3Å; L148-L152 VanDerWaalsContact O-CG 3.29Å; L148-L152 WeakPolarHBondContact O-CG 3.44Å; L148-L152 PolarHBondContact O-N 3.37Å; L148-L406 HydrophobicContact CD1-CD1 4.42Å; L148-L406 HydrophobicContact CD1-CD2 4.28Å; L148-L406 HydrophobicContact CD2-CD1 4.07Å; L148-L406 HydrophobicContact CG-CD1 4.33Å
149S98.6Very high95.9Very high31 Ų3124.1 Ų24.122%0.21713%0.125CC..Hα-helixtrans-61.9-46.5174.4-680000111.5V145 F146 L151 L152 L153V145-S149 WeakPolarHBondContact O-CB 3.45Å; V145-S149 PolarHBondContact O-N 3.43Å; V145-S149 PolarHBondContact O-OG 3.33Å; V145-S149 VanDerWaalsContact O-OG 3.08Å; F146-S149 PolarHBondContact O-N 2.91Å; S149-L151 VanDerWaalsContact C-N 3.33Å; S149-L151 PolarHBondContact O-N 2.98Å; S149-L152 PolarHBondContact O-N 3.07Å; S149-L153 WeakPolarHBondContact O-CB 3.41Å; S149-L153 VanDerWaalsContact O-CG 3.3Å; S149-L153 WeakPolarHBondContact O-CG 3.44Å; S149-L153 PolarHBondContact O-N 3.29Å
150A98.3Very high95Very high0 Ų026.2 Ų26.20%014%0.142CC..Hα-helixtrans-59-45.5174.600000111F146 Y154 V175 L178 I179F146-A150 WeakPolarHBondContact O-CB 3.36Å; F146-A150 PolarHBondContact O-N 2.93Å; A150-Y154 VanDerWaalsContact O-CB 3.31Å; A150-Y154 WeakPolarHBondContact O-CB 3.48Å; A150-Y154 PolarHBondContact O-N 2.97Å; A150-V175 HydrophobicContact CB-CG1 4.19Å; A150-L178 HydrophobicContact CB-CB 4.13Å; A150-L178 HydrophobicContact CB-CD1 4.44Å; A150-I179 HydrophobicContact CB-CG1 4.14Å
151L98.3Very high93.6Very high1 Ų131.9 Ų31.91%0.00518%0.181CC..Hα-helixtrans-63.5-47.6178.8-17959.5000113.1L105 F147 L148 S149 L153 Y154 L155 V192 I195 F196 M373 L377L105-L151 HydrophobicContact CD1-CD2 4Å; L105-L151 HydrophobicContact CD1-CG 4.25Å; L105-L151 HydrophobicContact CD2-CD2 3.8Å; F147-L151 HydrophobicContact CE1-CD2 4.49Å; F147-L151 WeakPolarHBondContact O-CB 3.45Å; F147-L151 PolarHBondContact O-N 3.45Å; L148-L151 PolarHBondContact O-N 3.35Å; S149-L151 VanDerWaalsContact C-N 3.33Å; S149-L151 PolarHBondContact O-N 2.98Å; L151-L153 PolarHBondContact O-N 3.46Å; L151-Y154 PolarHBondContact O-N 3.34Å; L151-L155 HydrophobicContact CD1-CD1 4.13Å; L151-L155 HydrophobicContact CD1-CG 4.14Å; L151-L155 HydrophobicContact CG-CD1 4.11Å; L151-L155 WeakPolarHBondContact O-CB 3.23Å; L151-L155 VanDerWaalsContact O-CG 3.25Å; L151-L155 WeakPolarHBondContact O-CG 3.45Å; L151-L155 PolarHBondContact O-N 2.98Å; L151-V192 HydrophobicContact CB-CG2 4.17Å; L151-I195 HydrophobicContact CD1-CG2 4.02Å; L151-F196 HydrophobicContact CB-CE1 4.48Å; L151-F196 HydrophobicContact CD1-CD1 4.19Å; L151-F196 HydrophobicContact CD1-CE1 3.76Å; L151-M373 HydrophobicContact CD1-CE 4.22Å; L151-M373 HydrophobicContact CD2-SD 4.2Å; L151-L377 HydrophobicContact CD2-CD2 3.96Å
152L97.9Very high92.1Very high33 Ų3338 Ų3817%0.17322%0.219CC..Hα-helixtrans-64.2-41.2179.4-74169.1000112.2L101 K104 L105 L148 S149 L155 K156L101-L152 HydrophobicContact CB-CD1 4.25Å; L101-L152 HydrophobicContact CD2-CD1 3.98Å; K104-L152 HydrophobicContact CB-CD1 4.02Å; K104-L152 HydrophobicContact CB-CD2 4.23Å; L105-L152 HydrophobicContact CB-CD2 4.04Å; L105-L152 HydrophobicContact CD1-CD2 4.09Å; L148-L152 WeakPolarHBondContact O-CB 3.3Å; L148-L152 VanDerWaalsContact O-CG 3.29Å; L148-L152 WeakPolarHBondContact O-CG 3.44Å; L148-L152 PolarHBondContact O-N 3.37Å; S149-L152 PolarHBondContact O-N 3.07Å; L152-L155 PolarHBondContact O-N 3.24Å; L152-K156 WeakPolarHBondContact O-CB 3.45Å; L152-K156 PolarHBondContact O-N 3.07Å
153L95.8Very high90.8Very high57 Ų5739.6 Ų39.630%0.29823%0.228SC..Hα-helixtrans-64.3-43.3175.7-74172.5000111.4S149 L151 K156 A157 T174 V175 L178S149-L153 WeakPolarHBondContact O-CB 3.41Å; S149-L153 VanDerWaalsContact O-CG 3.3Å; S149-L153 WeakPolarHBondContact O-CG 3.44Å; S149-L153 PolarHBondContact O-N 3.29Å; L151-L153 PolarHBondContact O-N 3.46Å; L153-K156 PolarHBondContact O-N 3.07Å; L153-A157 PolarHBondContact O-N 3.39Å; L153-T174 HydrophobicContact CD1-CG2 4.17Å; L153-V175 HydrophobicContact CB-CG2 3.88Å; L153-L178 HydrophobicContact CD1-CD1 3.59Å
154Y95.1Very high90Very high5 Ų542.8 Ų42.82%0.0225%0.25CC..Hα-helixtrans-59.5-48175.6-173.6-87.7000112A150 L151 K156 A157 S158 F196 Y199 E200 L263A150-Y154 VanDerWaalsContact O-CB 3.31Å; A150-Y154 WeakPolarHBondContact O-CB 3.48Å; A150-Y154 PolarHBondContact O-N 2.97Å; L151-Y154 PolarHBondContact O-N 3.34Å; Y154-K156 VanDerWaalsContact C-N 3.35Å; Y154-K156 PolarHBondContact O-N 3.49Å; Y154-A157 PolarHBondContact O-N 2.93Å; Y154-S158 VanDerWaalsContact CE1-OG 3.29Å; Y154-S158 WeakPolarHBondContact CE1-OG 3.35Å; Y154-S158 WeakPolarHBondContact O-CB 3.41Å; Y154-S158 PolarHBondContact O-N 3.46Å; Y154-S158 PolarHBondContact O-OG 3.38Å; Y154-F196 AromaticContact CD1-CD1 3.59Å; Y154-F196 HydrophobicContact CD1-CD1 3.59Å; Y154-F196 AromaticContact CD1-CE1 3.94Å; Y154-F196 HydrophobicContact CD1-CE1 3.94Å; Y154-F196 HydrophobicContact CD1-CG 4.14Å; Y154-F196 HydrophobicContact CD2-CD1 4.05Å; Y154-F196 HydrophobicContact CD2-CD2 4.04Å; Y154-F196 HydrophobicContact CD2-CE1 4.12Å; Y154-F196 HydrophobicContact CD2-CE2 4.08Å; Y154-F196 HydrophobicContact CD2-CG 4.02Å; Y154-F196 HydrophobicContact CD2-CZ 4.13Å; Y154-F196 HydrophobicContact CE1-CB 4.17Å; Y154-F196 HydrophobicContact CE1-CD1 4.04Å; Y154-F196 HydrophobicContact CE1-CG 4.22Å; Y154-F196 HydrophobicContact CE2-CB 4.26Å; Y154-F196 HydrophobicContact CE2-CD1 4.43Å; Y154-F196 HydrophobicContact CE2-CD2 4.2Å; Y154-F196 HydrophobicContact CE2-CG 4.07Å; Y154-F196 AromaticContact CG-CD1 3.61Å; Y154-F196 HydrophobicContact CG-CD1 3.61Å; Y154-F196 HydrophobicContact CG-CD2 4.42Å; Y154-F196 AromaticContact CG-CE1 3.58Å; Y154-F196 HydrophobicContact CG-CE1 3.58Å; Y154-F196 HydrophobicContact CG-CE2 4.35Å; Y154-F196 HydrophobicContact CG-CG 4.06Å; Y154-F196 AromaticContact CG-CZ 3.97Å; Y154-F196 HydrophobicContact CG-CZ 3.97Å; Y154-Y199 AromaticContact CE1-CD1 3.89Å; Y154-Y199 HydrophobicContact CE1-CD1 3.89Å; Y154-Y199 HydrophobicContact CE1-CE1 4.3Å; Y154-E200 VanDerWaalsContact OH-CD 3.3Å; Y154-E200 VanDerWaalsContact OH-CG 3.25Å; Y154-E200 WeakPolarHBondContact OH-CG 3.16Å; Y154-E200 PolarHBondContact OH-OE1 2.89Å; Y154-L263 HydrophobicContact CD2-CD1 3.75Å; Y154-L263 HydrophobicContact CE2-CD1 3.54Å
155L93.5Very high89.2Confident4 Ų448.1 Ų48.12%0.02127%0.273CS..Hα-helixtrans-64.2-39178.6-69.2175.3000111.9L105 Y109 L151 L152 S158 N159 Y199 M373L105-L155 HydrophobicContact CD1-CD1 3.55Å; Y109-L155 HydrophobicContact CE2-CD1 4.16Å; L151-L155 HydrophobicContact CD1-CD1 4.13Å; L151-L155 HydrophobicContact CD1-CG 4.14Å; L151-L155 HydrophobicContact CG-CD1 4.11Å; L151-L155 WeakPolarHBondContact O-CB 3.23Å; L151-L155 VanDerWaalsContact O-CG 3.25Å; L151-L155 WeakPolarHBondContact O-CG 3.45Å; L151-L155 PolarHBondContact O-N 2.98Å; L152-L155 PolarHBondContact O-N 3.24Å; L155-S158 PolarHBondContact O-N 3.06Å; L155-N159 WeakPolarHBondContact O-CB 3.44Å; L155-N159 PolarHBondContact O-N 3.04Å; L155-N159 PolarHBondContact O-ND2 2.87Å; L155-Y199 HydrophobicContact CD2-CD1 4.34Å; L155-Y199 HydrophobicContact CD2-CD2 3.62Å; L155-Y199 HydrophobicContact CD2-CE1 4.12Å; L155-Y199 HydrophobicContact CD2-CE2 3.37Å; L155-Y199 HydrophobicContact CD2-CG 4.1Å; L155-M373 HydrophobicContact CD1-CE 4.21Å; L155-M373 HydrophobicContact CD2-CE 4.13Å
156K91Very high88.6Confident160 Ų16055.4 Ų55.470%0.69630%0.298SS*.Hα-helixtrans-63.5-46.4176.8-175.4-179.6179-175.60111.4L152 L153 Y154 S158 A160L152-K156 WeakPolarHBondContact O-CB 3.45Å; L152-K156 PolarHBondContact O-N 3.07Å; L153-K156 PolarHBondContact O-N 3.07Å; Y154-K156 VanDerWaalsContact C-N 3.35Å; Y154-K156 PolarHBondContact O-N 3.49Å; K156-S158 VanDerWaalsContact C-N 3.34Å; K156-A160 PolarHBondContact O-N 3.47Å
157A88.3Confident88.1Confident7 Ų756.5 Ų56.56%0.05831%0.308CS..Hα-helixtrans-65.5-38177.300000111.9L153 Y154 L163 N171L153-A157 PolarHBondContact O-N 3.39Å; Y154-A157 PolarHBondContact O-N 2.93Å; A157-L163 HydrophobicContact CB-CD2 4.35Å; A157-N171 HydrophobicContact CB-CB 4.28Å
158S86.8Confident87.4Confident26 Ų2656.9 Ų56.918%0.18231%0.31CS..Hα-helixtrans-72.1-32.6-177.9-58.70000113.8Y154 L155 K156 R259Y154-S158 VanDerWaalsContact CE1-OG 3.29Å; Y154-S158 WeakPolarHBondContact CE1-OG 3.35Å; Y154-S158 WeakPolarHBondContact O-CB 3.41Å; Y154-S158 PolarHBondContact O-N 3.46Å; Y154-S158 PolarHBondContact O-OG 3.38Å; L155-S158 PolarHBondContact O-N 3.06Å; K156-S158 VanDerWaalsContact C-N 3.34Å; S158-R259 PolarHBondContact OG-NH2 3.29Å
159N84Confident87Confident95 Ų9558.7 Ų58.751%0.50832%0.32SS..Hα-helixtrans-86.7-6.4179.6-70.4-60.3000114L155 Y199L155-N159 WeakPolarHBondContact O-CB 3.44Å; L155-N159 PolarHBondContact O-N 3.04Å; L155-N159 PolarHBondContact O-ND2 2.87Å; N159-Y199 PolarHBondContact OD1-OH 2.88Å
160A80.7Confident86.6Confident44 Ų4462.1 Ų62.136%0.36434%0.335SS..  trans-85.7128.5-175.800000111.4K156 T162 L163K156-A160 PolarHBondContact O-N 3.47Å; A160-T162 PolarHBondContact O-N 3.02Å; A160-L163 HydrophobicContact CB-CD1 3.12Å
161S67.2Low86.4Confident120 Ų12064 Ų6484%0.83935%0.345SS*.SBendtrans-69.5-30.5-169.648.90000114.4
162T69Low86.1Confident130 Ų13064.1 Ų64.180%0.79835%0.346SS*.  trans-147.580.4-174.532.90000110.4A160A160-T162 PolarHBondContact O-N 3.02Å
163L71.1Confident86Confident50 Ų5066.2 Ų66.226%0.26236%0.357SS..  trans-93.7137.3161.6-93.364.4000108.9A157 A160 V167 N168A157-L163 HydrophobicContact CB-CD2 4.35Å; A160-L163 HydrophobicContact CB-CD1 3.12Å; L163-V167 HydrophobicContact CD2-CB 4.38Å; L163-V167 HydrophobicContact CD2-CG1 3.64Å; L163-V167 HydrophobicContact CG-CB 4.32Å; L163-V167 HydrophobicContact CG-CG1 3.84Å; L163-N168 WeakPolarHBondContact CB-ND2 3.49Å; L163-N168 VanDerWaalsContact CD2-OD1 3.28Å; L163-N168 WeakPolarHBondContact CD2-OD1 3.4Å
164S81.2Confident86.1Confident66 Ų6666.3 Ų66.346%0.46236%0.36SS..  trans-59.6153.7166.471.40000109.9W166 V167 N168S164-W166 PolarHBondContact O-N 2.65Å; S164-V167 PolarHBondContact O-N 2.78Å; S164-V167 VanDerWaalsContact OG-CG2 3.28Å; S164-V167 WeakPolarHBondContact OG-CG2 3.07Å; S164-V167 PolarHBondContact OG-N 2.84Å; S164-N168 PolarHBondContact O-N 3.09Å; S164-N168 VanDerWaalsContact O-N 3.15Å
165F82.8Confident86.2Confident113 Ų11366.1 Ų66.150%0.49636%0.359SS..Hα-helixtrans-50-46.8175.8172.3-100.5000111.7V167 N168 L169 Y258F165-V167 PolarHBondContact O-N 3.32Å; F165-N168 PolarHBondContact O-N 3.3Å; F165-L169 HydrophobicContact CE1-CD2 4.23Å; F165-L169 WeakPolarHBondContact O-CB 3.44Å; F165-L169 PolarHBondContact O-N 3.4Å; F165-Y258 HydrophobicContact CD2-CE1 4.2Å; F165-Y258 HydrophobicContact CE2-CE1 4.41Å
166W85.3Confident86.4Confident176 Ų17666 Ų6667%0.66736%0.358SS*.Hα-helixtrans-61.7-42-179.9-64.9113000113.8S164 N168 L169 I170S164-W166 PolarHBondContact O-N 2.65Å; W166-N168 VanDerWaalsContact C-N 3.34Å; W166-N168 PolarHBondContact O-N 3.2Å; W166-L169 HydrophobicContact CE3-CD2 3.92Å; W166-L169 HydrophobicContact CZ3-CD2 3.91Å; W166-L169 PolarHBondContact O-N 3.45Å; W166-I170 VanDerWaalsContact O-CG1 3.31Å; W166-I170 WeakPolarHBondContact O-CG1 3.39Å; W166-I170 PolarHBondContact O-N 3.19Å
167V87Confident86.7Confident67 Ų6764.3 Ų64.341%0.40635%0.351SS..Hα-helixtrans-66.6-39.4178.5175.80000110.6L163 S164 F165 N171L163-V167 HydrophobicContact CD2-CB 4.38Å; L163-V167 HydrophobicContact CD2-CG1 3.64Å; L163-V167 HydrophobicContact CG-CB 4.32Å; L163-V167 HydrophobicContact CG-CG1 3.84Å; S164-V167 PolarHBondContact O-N 2.78Å; S164-V167 VanDerWaalsContact OG-CG2 3.28Å; S164-V167 WeakPolarHBondContact OG-CG2 3.07Å; S164-V167 PolarHBondContact OG-N 2.84Å; F165-V167 PolarHBondContact O-N 3.32Å; V167-N171 WeakPolarHBondContact O-CB 3.36Å; V167-N171 PolarHBondContact O-N 2.91Å; V167-N171 PolarHBondContact O-ND2 3.24Å
168N85.4Confident87.1Confident9 Ų965.3 Ų65.35%0.04836%0.356CS..Hα-helixtrans-67-39174.3-82.8-49.8000112.9L163 S164 F165 W166 N171 S172 Y258L163-N168 WeakPolarHBondContact CB-ND2 3.49Å; L163-N168 VanDerWaalsContact CD2-OD1 3.28Å; L163-N168 WeakPolarHBondContact CD2-OD1 3.4Å; S164-N168 PolarHBondContact O-N 3.09Å; S164-N168 VanDerWaalsContact O-N 3.15Å; F165-N168 PolarHBondContact O-N 3.3Å; W166-N168 VanDerWaalsContact C-N 3.34Å; W166-N168 PolarHBondContact O-N 3.2Å; N168-N171 PolarHBondContact O-N 3.1Å; N168-S172 WeakPolarHBondContact O-CB 3.36Å; N168-S172 PolarHBondContact O-N 3.31Å; N168-S172 PolarHBondContact O-OG 3.24Å; N168-Y258 HydrophobicContact CB-CE2 3.87Å; N168-Y258 WeakPolarHBondContact CB-OH 3.46Å; N168-Y258 PolarHBondContact ND2-OH 2.81Å
169L89Confident87.6Confident39 Ų3964.4 Ų64.420%0.20435%0.349CS..Hα-helixtrans-59.7-52.5175.5177.759.9000110.1F165 W166 N171 S172 L173 I262F165-L169 HydrophobicContact CE1-CD2 4.23Å; F165-L169 WeakPolarHBondContact O-CB 3.44Å; F165-L169 PolarHBondContact O-N 3.4Å; W166-L169 HydrophobicContact CE3-CD2 3.92Å; W166-L169 HydrophobicContact CZ3-CD2 3.91Å; W166-L169 PolarHBondContact O-N 3.45Å; L169-N171 VanDerWaalsContact C-N 3.33Å; L169-N171 PolarHBondContact O-N 2.95Å; L169-S172 PolarHBondContact O-N 3.21Å; L169-S172 VanDerWaalsContact O-N 3.11Å; L169-L173 HydrophobicContact CD1-CD1 4.25Å; L169-L173 HydrophobicContact CD1-CG 4.24Å; L169-L173 HydrophobicContact CG-CD1 4.19Å; L169-L173 WeakPolarHBondContact O-CG 3.34Å; L169-L173 PolarHBondContact O-N 2.89Å; L169-I262 HydrophobicContact CD1-CD1 3.58Å
170I92Very high88.3Confident103 Ų10361.1 Ų61.153%0.52833%0.333SS..Hα-helixtrans-58.7-43.1177.8-67.5166.1000111.6W166 S172 L173 T174W166-I170 VanDerWaalsContact O-CG1 3.31Å; W166-I170 WeakPolarHBondContact O-CG1 3.39Å; W166-I170 PolarHBondContact O-N 3.19Å; I170-S172 VanDerWaalsContact C-N 3.35Å; I170-S172 PolarHBondContact O-N 3.27Å; I170-L173 PolarHBondContact O-N 3.37Å; I170-T174 WeakPolarHBondContact O-CB 3.3Å; I170-T174 PolarHBondContact O-N 2.97Å; I170-T174 PolarHBondContact O-OG1 3.26Å
171N92.2Very high89.1Confident38 Ų3860 Ų6020%0.20332%0.321CS..Hα-helixtrans-62-42.8176-79.8-40.2000111.7A157 V167 N168 L169 T174 V175A157-N171 HydrophobicContact CB-CB 4.28Å; V167-N171 WeakPolarHBondContact O-CB 3.36Å; V167-N171 PolarHBondContact O-N 2.91Å; V167-N171 PolarHBondContact O-ND2 3.24Å; N168-N171 PolarHBondContact O-N 3.1Å; L169-N171 VanDerWaalsContact C-N 3.33Å; L169-N171 PolarHBondContact O-N 2.95Å; N171-T174 PolarHBondContact O-N 3.35Å; N171-V175 VanDerWaalsContact O-CG2 3.27Å; N171-V175 WeakPolarHBondContact O-CG2 3.36Å; N171-V175 PolarHBondContact O-N 2.85Å
172S93.2Very high90.5Very high5 Ų554.3 Ų54.34%0.03528%0.281CS..Hα-helixtrans-67.4-40.8-179.5-53.60000111.9N168 L169 I170 V175 G176 R259N168-S172 WeakPolarHBondContact O-CB 3.36Å; N168-S172 PolarHBondContact O-N 3.31Å; N168-S172 PolarHBondContact O-OG 3.24Å; L169-S172 PolarHBondContact O-N 3.21Å; L169-S172 VanDerWaalsContact O-N 3.11Å; I170-S172 VanDerWaalsContact C-N 3.35Å; I170-S172 PolarHBondContact O-N 3.27Å; S172-V175 PolarHBondContact O-N 3.37Å; S172-G176 PolarHBondContact O-N 3.23Å; S172-R259 WeakPolarHBondContact OG-CG 3.24Å
173L95.5Very high91.9Very high77 Ų7748.3 Ų48.340%0.40324%0.244SC..Hα-helixtrans-62.9-45173.8-67176.5000111.2L169 I170 V175 G176 F177 I262 F266L169-L173 HydrophobicContact CD1-CD1 4.25Å; L169-L173 HydrophobicContact CD1-CG 4.24Å; L169-L173 HydrophobicContact CG-CD1 4.19Å; L169-L173 WeakPolarHBondContact O-CG 3.34Å; L169-L173 PolarHBondContact O-N 2.89Å; I170-L173 PolarHBondContact O-N 3.37Å; L173-V175 PolarHBondContact O-N 3.41Å; L173-G176 PolarHBondContact O-N 3.05Å; L173-F177 WeakPolarHBondContact O-CB 3.41Å; L173-F177 PolarHBondContact O-N 3.44Å; L173-I262 HydrophobicContact CD2-CG2 4.09Å; L173-F266 HydrophobicContact CD2-CE2 3.84Å; L173-F266 HydrophobicContact CD2-CZ 4.16Å
174T97Very high93.1Very high58 Ų5848.2 Ų48.236%0.35624%0.244SC..Hα-helixtrans-60.1-45.7175.9-57.80000111.3L153 I170 N171 G176 F177 L178L153-T174 HydrophobicContact CD1-CG2 4.17Å; I170-T174 WeakPolarHBondContact O-CB 3.3Å; I170-T174 PolarHBondContact O-N 2.97Å; I170-T174 PolarHBondContact O-OG1 3.26Å; N171-T174 PolarHBondContact O-N 3.35Å; T174-G176 PolarHBondContact O-N 3.24Å; T174-F177 PolarHBondContact O-N 3.14Å; T174-L178 HydrophobicContact CG2-CD1 4.19Å; T174-L178 HydrophobicContact CG2-CG 4.47Å; T174-L178 VanDerWaalsContact O-CG 3.29Å; T174-L178 WeakPolarHBondContact O-CG 3.45Å; T174-L178 PolarHBondContact O-N 3.41Å
175V97.6Very high93.9Very high2 Ų245.2 Ų45.21%0.01222%0.222CC..Hα-helixtrans-60.7-45.4176170.20000110.8A150 L153 N171 S172 L173 F177 L178 I179 F196 L263A150-V175 HydrophobicContact CB-CG1 4.19Å; L153-V175 HydrophobicContact CB-CG2 3.88Å; N171-V175 VanDerWaalsContact O-CG2 3.27Å; N171-V175 WeakPolarHBondContact O-CG2 3.36Å; N171-V175 PolarHBondContact O-N 2.85Å; S172-V175 PolarHBondContact O-N 3.37Å; L173-V175 PolarHBondContact O-N 3.41Å; V175-F177 VanDerWaalsContact C-N 3.33Å; V175-F177 PolarHBondContact O-N 3.17Å; V175-L178 PolarHBondContact O-N 3.47Å; V175-I179 HydrophobicContact CG1-CD1 4.04Å; V175-I179 WeakPolarHBondContact O-CG1 3.25Å; V175-I179 PolarHBondContact O-N 2.97Å; V175-F196 HydrophobicContact CG1-CE2 3.72Å; V175-F196 HydrophobicContact CG1-CZ 3.85Å; V175-L263 HydrophobicContact CB-CD2 4.07Å; V175-L263 HydrophobicContact CG1-CD1 4.3Å; V175-L263 HydrophobicContact CG1-CD2 3.66Å
176G97.4Very high94.5Very high0 Ų040.2 Ų40.20%020%0.2CC..Hα-helixtrans-58-43.8175.500000112.8S172 L173 T174 I179 C180S172-G176 PolarHBondContact O-N 3.23Å; L173-G176 PolarHBondContact O-N 3.05Å; T174-G176 PolarHBondContact O-N 3.24Å; G176-I179 PolarHBondContact O-N 2.96Å; G176-C180 PolarHBondContact O-N 3.47Å; G176-C180 PolarHBondContact O-SG 3.01Å
177F97.2Very high94.9Very high125 Ų12534.3 Ų34.355%0.54818%0.18SC..Hα-helixtrans-66.3-41.5177.8-172.7-110.2000112.9L173 T174 V175 I179 C180 I181L173-F177 WeakPolarHBondContact O-CB 3.41Å; L173-F177 PolarHBondContact O-N 3.44Å; T174-F177 PolarHBondContact O-N 3.14Å; V175-F177 VanDerWaalsContact C-N 3.33Å; V175-F177 PolarHBondContact O-N 3.17Å; F177-I179 VanDerWaalsContact C-N 3.29Å; F177-I179 PolarHBondContact O-N 3.24Å; F177-C180 WeakPolarHBondContact O-CB 3.42Å; F177-C180 PolarHBondContact O-N 3.4Å; F177-C180 VanDerWaalsContact O-N 3.17Å; F177-I181 HydrophobicContact CD1-CD1 3.61Å; F177-I181 HydrophobicContact CD1-CG1 4.44Å; F177-I181 HydrophobicContact CE1-CD1 3.16Å; F177-I181 HydrophobicContact CE1-CG1 4.14Å; F177-I181 HydrophobicContact CE2-CD1 4.37Å; F177-I181 HydrophobicContact CG-CD1 4.4Å; F177-I181 HydrophobicContact CZ-CD1 3.59Å; F177-I181 HydrophobicContact CZ-CG1 4.19Å; F177-I181 PolarHBondContact O-N 3.07Å
178L98.1Very high95.2Very high28 Ų2831.4 Ų31.415%0.14716%0.162CC..Hα-helixtrans-60.6-39.7174.4-69.6170000111.5F146 A150 L153 T174 V175 I181 G182F146-L178 HydrophobicContact CD1-CD2 3.68Å; F146-L178 HydrophobicContact CE1-CD2 4.09Å; A150-L178 HydrophobicContact CB-CB 4.13Å; A150-L178 HydrophobicContact CB-CD1 4.44Å; L153-L178 HydrophobicContact CD1-CD1 3.59Å; T174-L178 HydrophobicContact CG2-CD1 4.19Å; T174-L178 HydrophobicContact CG2-CG 4.47Å; T174-L178 VanDerWaalsContact O-CG 3.29Å; T174-L178 WeakPolarHBondContact O-CG 3.45Å; T174-L178 PolarHBondContact O-N 3.41Å; V175-L178 PolarHBondContact O-N 3.47Å; L178-I181 PolarHBondContact O-N 3.12Å; L178-G182 PolarHBondContact O-N 3.38Å
179I97.8Very high95.7Very high8 Ų831 Ų314%0.04116%0.16CC..Hα-helixtrans-65.1-40.8175.6-66.7167.7000110.9A150 V175 G176 F177 G182 T183 I190 V192 F196A150-I179 HydrophobicContact CB-CG1 4.14Å; V175-I179 HydrophobicContact CG1-CD1 4.04Å; V175-I179 WeakPolarHBondContact O-CG1 3.25Å; V175-I179 PolarHBondContact O-N 2.97Å; G176-I179 PolarHBondContact O-N 2.96Å; F177-I179 VanDerWaalsContact C-N 3.29Å; F177-I179 PolarHBondContact O-N 3.24Å; I179-G182 PolarHBondContact O-N 3.15Å; I179-T183 VanDerWaalsContact O-CB 3.26Å; I179-T183 WeakPolarHBondContact O-CB 3.42Å; I179-T183 PolarHBondContact O-N 2.96Å; I179-T183 PolarHBondContact O-OG1 3.48Å; I179-I190 HydrophobicContact CG2-CG1 4.43Å; I179-V192 HydrophobicContact CD1-CG1 3.54Å; I179-V192 HydrophobicContact CG1-CG1 3.62Å; I179-F196 HydrophobicContact CD1-CE2 3.82Å; I179-F196 HydrophobicContact CD1-CZ 4.46Å
180C97.2Very high96.1Very high26 Ų2630.1 Ų30.118%0.17616%0.155CC..Hα-helixtrans-59.3-52.7175.7-63.90000110.9G176 F177 G182 T183 L184 F266 V270G176-C180 PolarHBondContact O-N 3.47Å; G176-C180 PolarHBondContact O-SG 3.01Å; F177-C180 WeakPolarHBondContact O-CB 3.42Å; F177-C180 PolarHBondContact O-N 3.4Å; F177-C180 VanDerWaalsContact O-N 3.17Å; C180-G182 PolarHBondContact O-N 2.83Å; C180-T183 PolarHBondContact O-N 3.39Å; C180-L184 WeakPolarHBondContact O-CG 3.16Å; C180-L184 PolarHBondContact O-N 3.01Å; C180-F266 VanDerWaalsContact SG-CD1 3.57Å; C180-V270 HydrophobicContact CB-CG2 4.12Å; C180-V270 WeakPolarHBondContact SG-CG2 3.26Å
181I97.2Very high96.3Very high20 Ų2026 Ų2610%0.10314%0.135CC..Hα-helixtrans-61.4-47.8179.1-64.8169.2000110.7F68 F146 F177 L178 T183 L184 C185F68-I181 HydrophobicContact CD1-CG2 3.74Å; F68-I181 HydrophobicContact CE1-CG1 4.41Å; F68-I181 HydrophobicContact CE1-CG2 3.9Å; F68-I181 HydrophobicContact CG-CG2 4.43Å; F146-I181 HydrophobicContact CD1-CB 4.4Å; F146-I181 HydrophobicContact CD1-CG2 4.21Å; F146-I181 HydrophobicContact CD2-CG2 4.04Å; F146-I181 HydrophobicContact CE1-CB 4.26Å; F146-I181 HydrophobicContact CE1-CG2 3.74Å; F146-I181 HydrophobicContact CE2-CG2 3.56Å; F146-I181 HydrophobicContact CG-CG2 4.37Å; F146-I181 HydrophobicContact CZ-CB 4.38Å; F146-I181 HydrophobicContact CZ-CG2 3.4Å; F146-I181 VanDerWaalsContact CZ-CG2 3.4Å; F177-I181 HydrophobicContact CD1-CD1 3.61Å; F177-I181 HydrophobicContact CD1-CG1 4.44Å; F177-I181 HydrophobicContact CE1-CD1 3.16Å; F177-I181 HydrophobicContact CE1-CG1 4.14Å; F177-I181 HydrophobicContact CE2-CD1 4.37Å; F177-I181 HydrophobicContact CG-CD1 4.4Å; F177-I181 HydrophobicContact CZ-CD1 3.59Å; F177-I181 HydrophobicContact CZ-CG1 4.19Å; F177-I181 PolarHBondContact O-N 3.07Å; L178-I181 PolarHBondContact O-N 3.12Å; I181-T183 PolarHBondContact O-N 3.46Å; I181-L184 CarbonylContact O-C 3.52Å; I181-L184 WeakPolarHBondContact O-CA 3.44Å; I181-L184 WeakPolarHBondContact O-CB 3.34Å; I181-L184 PolarHBondContact O-N 2.95Å; I181-C185 PolarHBondContact O-N 3.41Å; I181-C185 PolarHBondContact O-SG 3.07Å; I181-C185 VanDerWaalsContact O-SG 3.38Å
182G98.2Very high96.6Very high0 Ų024.2 Ų24.20%013%0.126CC..Hα-helixtrans-59.5-35.9178.500000112.5L178 I179 C180 L184 C185 K186L178-G182 PolarHBondContact O-N 3.38Å; I179-G182 PolarHBondContact O-N 3.15Å; C180-G182 PolarHBondContact O-N 2.83Å; G182-L184 VanDerWaalsContact C-N 3.34Å; G182-C185 WeakPolarHBondContact O-CB 3.41Å; G182-C185 PolarHBondContact O-N 2.86Å; G182-C185 VanDerWaalsContact O-N 3.11Å; G182-K186 PolarHBondContact O-N 3.37Å; G182-K186 VanDerWaalsContact O-O 3.06Å
183T97Very high96.8Very high5 Ų524.8 Ų24.83%0.03113%0.127CC..Hα-helixtrans-70.1-30.7175.8-55.80000112.6I179 C180 I181 C185 K186 I190 V270I179-T183 VanDerWaalsContact O-CB 3.26Å; I179-T183 WeakPolarHBondContact O-CB 3.42Å; I179-T183 PolarHBondContact O-N 2.96Å; I179-T183 PolarHBondContact O-OG1 3.48Å; C180-T183 PolarHBondContact O-N 3.39Å; I181-T183 PolarHBondContact O-N 3.46Å; T183-C185 VanDerWaalsContact C-N 3.26Å; T183-K186 WeakPolarHBondContact CA-O 3.28Å; T183-K186 CarbonylContact O-C 3.12Å; T183-I190 HydrophobicContact CG2-CB 4.43Å; T183-V270 HydrophobicContact CG2-CG1 3.68Å
184L96.8Very high96.8Very high48 Ų4821.7 Ų21.725%0.25111%0.114SC..Hα-helixtrans-74-16.2170.6-65.1172.9000112.9Y65 R66 P67 F68 C180 I181 G182Y65-L184 HydrophobicContact CD1-CD2 4.27Å; Y65-L184 HydrophobicContact CE1-CD2 3.68Å; R66-L184 CarbonylContact C-O 3.31Å; R66-L184 WeakPolarHBondContact CA-O 3.46Å; P67-L184 HydrophobicContact CG-CB 4.41Å; P67-L184 HydrophobicContact CG-CD2 4.06Å; F68-L184 HydrophobicContact CB-CB 4.11Å; F68-L184 HydrophobicContact CD2-CB 3.72Å; F68-L184 HydrophobicContact CD2-CD1 3.64Å; F68-L184 HydrophobicContact CD2-CG 4.3Å; F68-L184 HydrophobicContact CE2-CB 4.49Å; F68-L184 HydrophobicContact CE2-CD1 3.56Å; F68-L184 HydrophobicContact CG-CB 4.12Å; F68-L184 HydrophobicContact CZ-CD1 4.47Å; F68-L184 PolarHBondContact N-O 2.87Å; C180-L184 WeakPolarHBondContact O-CG 3.16Å; C180-L184 PolarHBondContact O-N 3.01Å; I181-L184 CarbonylContact O-C 3.52Å; I181-L184 WeakPolarHBondContact O-CA 3.44Å; I181-L184 WeakPolarHBondContact O-CB 3.34Å; I181-L184 PolarHBondContact O-N 2.95Å; G182-L184 VanDerWaalsContact C-N 3.34Å
185C98Very high96.9Very high2 Ų219 Ų191%0.01410%0.097CC..Hα-helixtrans-84-47.1167.2-58.50000111R66 T69 L142 I181 G182 T183R66-C185 WeakPolarHBondContact CD-O 3.44Å; R66-C185 WeakPolarHBondContact CG-O 3.32Å; T69-C185 VanDerWaalsContact OG1-CA 3.22Å; T69-C185 WeakPolarHBondContact OG1-CA 3.47Å; T69-C185 PolarHBondContact OG1-O 2.87Å; L142-C185 HydrophobicContact CB-CB 3.81Å; I181-C185 PolarHBondContact O-N 3.41Å; I181-C185 PolarHBondContact O-SG 3.07Å; I181-C185 VanDerWaalsContact O-SG 3.38Å; G182-C185 WeakPolarHBondContact O-CB 3.41Å; G182-C185 PolarHBondContact O-N 2.86Å; G182-C185 VanDerWaalsContact O-N 3.11Å; T183-C185 VanDerWaalsContact C-N 3.26Å
186K96.2Very high96.8Very high8 Ų818.9 Ų18.94%0.03510%0.097CC..  trans-159.6139.3174.1-165.4176176.2-174.20111.8A139 E140 G182 T183 Q188 C189A139-K186 HydrophobicContact CB-CB 4.29Å; A139-K186 HydrophobicContact CB-CD 4.39Å; E140-K186 HydrophobicContact CG-CD 4.16Å; E140-K186 WeakPolarHBondContact OE1-CE 3.48Å; E140-K186 IonicContact OE1-NZ 3.74Å; E140-K186 PolarHBondContact OE1-NZ 3.31Å; G182-K186 PolarHBondContact O-N 3.37Å; G182-K186 VanDerWaalsContact O-O 3.06Å; T183-K186 WeakPolarHBondContact CA-O 3.28Å; T183-K186 CarbonylContact O-C 3.12Å; K186-Q188 HydrophobicContact CD-CB 4.32Å; K186-Q188 HydrophobicContact CG-CB 4.32Å; K186-Q188 PolarHBondContact O-N 3.08Å; K186-C189 PolarHBondContact O-N 3.42Å; K186-C189 VanDerWaalsContact O-N 3.14Å
187E92.3Very high96.7Very high52 Ų5222 Ų2224%0.24311%0.113CC..G310 helixtrans-43.3-39174.940.2-71.6172.600115R66 C189 I190 R274R66-E187 IonicContact CZ-OE1 3.47Å; R66-E187 IonicContact NE-OE1 3.82Å; R66-E187 IonicContact NE-OE2 2.77Å; R66-E187 IonicContact NH2-OE1 3.72Å; R66-E187 PolarHBondContact NH2-OE1 3.02Å; R66-E187 IonicContact NH2-OE2 3.43Å; E187-C189 PolarHBondContact O-N 3.39Å; E187-I190 WeakPolarHBondContact O-CG2 3.42Å; E187-I190 PolarHBondContact O-N 2.7Å; E187-I190 VanDerWaalsContact O-N 3.17Å; E187-R274 VanDerWaalsContact CB-CZ 3.48Å; E187-R274 VanDerWaalsContact CB-NH1 3.34Å; E187-R274 IonicContact OE2-CZ 2.81Å; E187-R274 IonicContact OE2-NH1 2.86Å; E187-R274 IonicContact OE2-NH2 3.9Å; E187-R274 PolarHBondContact OE2-NH2 3.19Å
188Q93.3Very high96.6Very high7 Ų717 Ų173%0.03310%0.095CC..G310 helixtrans-59.4-23.3-172.4-165.217210.800112.4K186 I190 T191 P381 V400K186-Q188 HydrophobicContact CD-CB 4.32Å; K186-Q188 HydrophobicContact CG-CB 4.32Å; K186-Q188 PolarHBondContact O-N 3.08Å; Q188-I190 PolarHBondContact O-N 3.3Å; Q188-T191 WeakPolarHBondContact O-CG2 3.05Å; Q188-T191 PolarHBondContact O-N 3.13Å; Q188-T191 PolarHBondContact O-OG1 3.19Å; Q188-P381 HydrophobicContact CG-CB 4.11Å; Q188-P381 WeakPolarHBondContact CG-O 3.48Å; Q188-P381 PolarHBondContact NE2-O 3.41Å; Q188-V400 PolarHBondContact NE2-O 3.3Å
189C97.6Very high96.4Very high0 Ų016.9 Ų16.90%09%0.093CC..G310 helixtrans-58.5-36.6178.5-162.40000113S143 K186 E187 T191 V192S143-C189 WeakPolarHBondContact OG-CB 3.45Å; S143-C189 PolarHBondContact OG-N 2.95Å; K186-C189 PolarHBondContact O-N 3.42Å; K186-C189 VanDerWaalsContact O-N 3.14Å; E187-C189 PolarHBondContact O-N 3.39Å; C189-T191 PolarHBondContact O-N 3.18Å; C189-V192 WeakPolarHBondContact O-CG1 3.47Å; C189-V192 PolarHBondContact O-N 3.49Å; C189-V192 VanDerWaalsContact O-N 3.14Å
190I96.4Very high96.1Very high21 Ų2117.6 Ų17.611%0.10810%0.096CC..G310 helixtrans-61.4-22.3-175.2-155.1175.3000112.9I179 T183 E187 Q188 V192 F193 F267 V270 L271I179-I190 HydrophobicContact CG2-CG1 4.43Å; T183-I190 HydrophobicContact CG2-CB 4.43Å; E187-I190 WeakPolarHBondContact O-CG2 3.42Å; E187-I190 PolarHBondContact O-N 2.7Å; E187-I190 VanDerWaalsContact O-N 3.17Å; Q188-I190 PolarHBondContact O-N 3.3Å; I190-V192 PolarHBondContact O-N 3Å; I190-F193 WeakPolarHBondContact O-CB 3.46Å; I190-F193 PolarHBondContact O-N 3.23Å; I190-F267 HydrophobicContact CD1-CD2 3.79Å; I190-F267 HydrophobicContact CD1-CE2 3.84Å; I190-F267 HydrophobicContact CG1-CD2 3.64Å; I190-F267 HydrophobicContact CG1-CE2 3.79Å; I190-V270 HydrophobicContact CD1-CB 4.48Å; I190-V270 HydrophobicContact CD1-CG1 4.1Å; I190-L271 HydrophobicContact CD1-CD2 3.64Å; I190-L271 HydrophobicContact CD1-CG 3.76Å
191T96.9Very high95.7Very high17 Ų1721.8 Ų21.810%0.10412%0.116CC..G310 helixtrans-68.7-14.2-178.772.20000112.9Q188 C189 F193 G194 F380 P381 P384Q188-T191 WeakPolarHBondContact O-CG2 3.05Å; Q188-T191 PolarHBondContact O-N 3.13Å; Q188-T191 PolarHBondContact O-OG1 3.19Å; C189-T191 PolarHBondContact O-N 3.18Å; T191-F193 PolarHBondContact O-N 3.15Å; T191-G194 PolarHBondContact O-N 3.04Å; T191-F380 WeakPolarHBondContact CB-O 3.4Å; T191-F380 WeakPolarHBondContact CG2-O 3.4Å; T191-P381 VanDerWaalsContact OG1-CA 3.27Å; T191-P381 WeakPolarHBondContact OG1-CA 3.22Å; T191-P384 HydrophobicContact CG2-CG 3.61Å
192V98.1Very high95.4Very high0 Ų021.9 Ų21.90%012%0.115CC..Hα-helixtrans-58.4-28.4174.376.70000111.8F147 L151 I179 C189 I190 G194 I195 F196F147-V192 HydrophobicContact CD1-CG2 4.39Å; F147-V192 HydrophobicContact CD2-CB 3.61Å; F147-V192 HydrophobicContact CD2-CG2 4.09Å; F147-V192 HydrophobicContact CE1-CG2 4.24Å; F147-V192 HydrophobicContact CE2-CB 3.49Å; F147-V192 VanDerWaalsContact CE2-CB 3.49Å; F147-V192 HydrophobicContact CE2-CG2 3.96Å; F147-V192 HydrophobicContact CG-CB 4.28Å; F147-V192 HydrophobicContact CG-CG2 4.32Å; F147-V192 HydrophobicContact CZ-CB 4.06Å; F147-V192 HydrophobicContact CZ-CG2 4.04Å; L151-V192 HydrophobicContact CB-CG2 4.17Å; I179-V192 HydrophobicContact CD1-CG1 3.54Å; I179-V192 HydrophobicContact CG1-CG1 3.62Å; C189-V192 WeakPolarHBondContact O-CG1 3.47Å; C189-V192 PolarHBondContact O-N 3.49Å; C189-V192 VanDerWaalsContact O-N 3.14Å; I190-V192 PolarHBondContact O-N 3Å; V192-G194 VanDerWaalsContact C-N 3.26Å; V192-G194 PolarHBondContact O-N 2.99Å; V192-I195 WeakPolarHBondContact O-CA 3.38Å; V192-I195 VanDerWaalsContact O-CB 3.29Å; V192-I195 WeakPolarHBondContact O-CB 3.39Å; V192-I195 PolarHBondContact O-N 3.35Å; V192-F196 HydrophobicContact CG1-CE2 4.14Å; V192-F196 HydrophobicContact CG1-CZ 4.08Å; V192-F196 HydrophobicContact CG2-CE1 3.78Å; V192-F196 HydrophobicContact CG2-CZ 3.78Å; V192-F196 PolarHBondContact O-N 2.94Å; V192-F196 VanDerWaalsContact O-N 3.07Å
193F97Very high94.8Very high16 Ų1623.9 Ų23.97%0.0713%0.131CC..Hα-helixtrans-58.9-38.4175.5-175.3-110.6000112.1I190 T191 I195 F196 I197 M260 L263 L264 F267I190-F193 WeakPolarHBondContact O-CB 3.46Å; I190-F193 PolarHBondContact O-N 3.23Å; T191-F193 PolarHBondContact O-N 3.15Å; F193-I195 VanDerWaalsContact C-N 3.28Å; F193-I195 PolarHBondContact O-N 3.25Å; F193-F196 HydrophobicContact CD2-CD2 4.38Å; F193-F196 WeakPolarHBondContact O-CB 3.5Å; F193-F196 PolarHBondContact O-N 3.18Å; F193-I197 HydrophobicContact CD1-CD1 3.98Å; F193-I197 HydrophobicContact CE1-CD1 3.65Å; F193-I197 HydrophobicContact CE1-CG1 4.35Å; F193-I197 HydrophobicContact CZ-CD1 4.24Å; F193-I197 PolarHBondContact O-N 3.27Å; F193-I197 VanDerWaalsContact O-N 3.09Å; F193-M260 HydrophobicContact CD2-CE 4.49Å; F193-M260 HydrophobicContact CE2-CE 3.69Å; F193-M260 HydrophobicContact CZ-CE 3.83Å; F193-L263 HydrophobicContact CD2-CB 4.03Å; F193-L263 HydrophobicContact CE2-CB 3.73Å; F193-L264 HydrophobicContact CE1-CD1 4.03Å; F193-L264 HydrophobicContact CE2-CB 4.49Å; F193-L264 HydrophobicContact CZ-CB 3.98Å; F193-L264 HydrophobicContact CZ-CD1 3.87Å; F193-F267 HydrophobicContact CB-CD2 3.95Å; F193-F267 HydrophobicContact CB-CE2 4.4Å; F193-F267 HydrophobicContact CD1-CB 4.36Å; F193-F267 HydrophobicContact CD1-CD1 4.39Å; F193-F267 AromaticContact CD1-CD2 3.7Å; F193-F267 HydrophobicContact CD1-CD2 3.7Å; F193-F267 HydrophobicContact CD1-CE2 4.03Å; F193-F267 AromaticContact CD1-CG 3.91Å; F193-F267 HydrophobicContact CD1-CG 3.91Å; F193-F267 HydrophobicContact CD1-CZ 4.49Å; F193-F267 HydrophobicContact CE1-CB 4.48Å; F193-F267 HydrophobicContact CE1-CD1 4.38Å; F193-F267 HydrophobicContact CE1-CD2 4.44Å; F193-F267 HydrophobicContact CE1-CG 4.2Å; F193-F267 HydrophobicContact CG-CB 4.4Å; F193-F267 AromaticContact CG-CD2 3.92Å; F193-F267 HydrophobicContact CG-CD2 3.92Å; F193-F267 HydrophobicContact CG-CG 4.28Å
194G96.6Very high94.3Very high12 Ų1227.4 Ų27.412%0.12415%0.153CC..Hα-helixtrans-63-34.1173.500000112.9T191 V192 I197 A198 F380T191-G194 PolarHBondContact O-N 3.04Å; V192-G194 VanDerWaalsContact C-N 3.26Å; V192-G194 PolarHBondContact O-N 2.99Å; G194-I197 PolarHBondContact O-N 3.09Å; G194-A198 WeakPolarHBondContact O-CB 3.48Å; G194-A198 PolarHBondContact O-N 3.5Å; G194-F380 WeakPolarHBondContact O-CE2 3.4Å; G194-F380 WeakPolarHBondContact O-CZ 3.4Å
195I98Very high93.7Very high1 Ų128.4 Ų28.41%0.00515%0.154CC..Hα-helixtrans-67.7-38.1175-54.7-170.7000110.9F147 L151 V192 F193 A198 Y199 M373 L377 F380F147-I195 HydrophobicContact CE1-CD1 4.1Å; F147-I195 HydrophobicContact CE2-CD1 4.42Å; F147-I195 HydrophobicContact CZ-CD1 3.47Å; F147-I195 VanDerWaalsContact CZ-CD1 3.47Å; L151-I195 HydrophobicContact CD1-CG2 4.02Å; V192-I195 WeakPolarHBondContact O-CA 3.38Å; V192-I195 VanDerWaalsContact O-CB 3.29Å; V192-I195 WeakPolarHBondContact O-CB 3.39Å; V192-I195 PolarHBondContact O-N 3.35Å; F193-I195 VanDerWaalsContact C-N 3.28Å; F193-I195 PolarHBondContact O-N 3.25Å; I195-A198 PolarHBondContact O-N 2.9Å; I195-Y199 VanDerWaalsContact O-CB 3.29Å; I195-Y199 WeakPolarHBondContact O-CB 3.34Å; I195-Y199 PolarHBondContact O-N 3.28Å; I195-M373 HydrophobicContact CG2-CE 4.1Å; I195-M373 HydrophobicContact CG2-SD 3.88Å; I195-L377 HydrophobicContact CD1-CD2 3.71Å; I195-L377 HydrophobicContact CD1-CG 4.19Å; I195-F380 HydrophobicContact CG1-CB 4.08Å; I195-F380 HydrophobicContact CG1-CD2 3.86Å; I195-F380 HydrophobicContact CG1-CG 4.28Å
196F96.4Very high92.9Very high0 Ų030.3 Ų30.30%016%0.163CC..Hα-helixtrans-63.2-45174.5-57.7-25000111.8L151 Y154 V175 I179 V192 F193 A198 Y199 E200 M260 L263L151-F196 HydrophobicContact CB-CE1 4.48Å; L151-F196 HydrophobicContact CD1-CD1 4.19Å; L151-F196 HydrophobicContact CD1-CE1 3.76Å; Y154-F196 AromaticContact CD1-CD1 3.59Å; Y154-F196 HydrophobicContact CD1-CD1 3.59Å; Y154-F196 AromaticContact CD1-CE1 3.94Å; Y154-F196 HydrophobicContact CD1-CE1 3.94Å; Y154-F196 HydrophobicContact CD1-CG 4.14Å; Y154-F196 HydrophobicContact CD2-CD1 4.05Å; Y154-F196 HydrophobicContact CD2-CD2 4.04Å; Y154-F196 HydrophobicContact CD2-CE1 4.12Å; Y154-F196 HydrophobicContact CD2-CE2 4.08Å; Y154-F196 HydrophobicContact CD2-CG 4.02Å; Y154-F196 HydrophobicContact CD2-CZ 4.13Å; Y154-F196 HydrophobicContact CE1-CB 4.17Å; Y154-F196 HydrophobicContact CE1-CD1 4.04Å; Y154-F196 HydrophobicContact CE1-CG 4.22Å; Y154-F196 HydrophobicContact CE2-CB 4.26Å; Y154-F196 HydrophobicContact CE2-CD1 4.43Å; Y154-F196 HydrophobicContact CE2-CD2 4.2Å; Y154-F196 HydrophobicContact CE2-CG 4.07Å; Y154-F196 AromaticContact CG-CD1 3.61Å; Y154-F196 HydrophobicContact CG-CD1 3.61Å; Y154-F196 HydrophobicContact CG-CD2 4.42Å; Y154-F196 AromaticContact CG-CE1 3.58Å; Y154-F196 HydrophobicContact CG-CE1 3.58Å; Y154-F196 HydrophobicContact CG-CE2 4.35Å; Y154-F196 HydrophobicContact CG-CG 4.06Å; Y154-F196 AromaticContact CG-CZ 3.97Å; Y154-F196 HydrophobicContact CG-CZ 3.97Å; V175-F196 HydrophobicContact CG1-CE2 3.72Å; V175-F196 HydrophobicContact CG1-CZ 3.85Å; I179-F196 HydrophobicContact CD1-CE2 3.82Å; I179-F196 HydrophobicContact CD1-CZ 4.46Å; V192-F196 HydrophobicContact CG1-CE2 4.14Å; V192-F196 HydrophobicContact CG1-CZ 4.08Å; V192-F196 HydrophobicContact CG2-CE1 3.78Å; V192-F196 HydrophobicContact CG2-CZ 3.78Å; V192-F196 PolarHBondContact O-N 2.94Å; V192-F196 VanDerWaalsContact O-N 3.07Å; F193-F196 HydrophobicContact CD2-CD2 4.38Å; F193-F196 WeakPolarHBondContact O-CB 3.5Å; F193-F196 PolarHBondContact O-N 3.18Å; F196-A198 PolarHBondContact O-N 3.45Å; F196-Y199 PolarHBondContact O-N 3.41Å; F196-E200 WeakPolarHBondContact O-CG 3.38Å; F196-E200 PolarHBondContact O-N 3.42Å; F196-M260 HydrophobicContact CB-SD 4.14Å; F196-L263 HydrophobicContact CD2-CD1 3.71Å; F196-L263 HydrophobicContact CE2-CD1 3.92Å
197I94.5Very high92.1Very high67 Ų6736.5 Ų36.534%0.34419%0.189SC..Hα-helixtrans-57.8-50.1174.9-65170.6000110.2F193 G194 Y199 E200 L201 M260F193-I197 HydrophobicContact CD1-CD1 3.98Å; F193-I197 HydrophobicContact CE1-CD1 3.65Å; F193-I197 HydrophobicContact CE1-CG1 4.35Å; F193-I197 HydrophobicContact CZ-CD1 4.24Å; F193-I197 PolarHBondContact O-N 3.27Å; F193-I197 VanDerWaalsContact O-N 3.09Å; G194-I197 PolarHBondContact O-N 3.09Å; I197-Y199 VanDerWaalsContact C-N 3.3Å; I197-Y199 PolarHBondContact O-N 3.02Å; I197-E200 PolarHBondContact O-N 3.33Å; I197-L201 HydrophobicContact CG2-CD1 3.73Å; I197-L201 HydrophobicContact CG2-CG 4.16Å; I197-L201 WeakPolarHBondContact O-CB 3.48Å; I197-L201 VanDerWaalsContact O-CG 3.27Å; I197-L201 WeakPolarHBondContact O-CG 3.47Å; I197-L201 PolarHBondContact O-N 3.04Å; I197-M260 HydrophobicContact CD1-CE 4.47Å; I197-M260 HydrophobicContact CG1-CE 3.47Å; I197-M260 VanDerWaalsContact CG1-CE 3.47Å
198A94.7Very high91.5Very high20 Ų2035.7 Ų35.717%0.16519%0.186CC..Hα-helixtrans-60.3-40.9179.700000112.2G194 I195 F196 Y202 F380G194-A198 WeakPolarHBondContact O-CB 3.48Å; G194-A198 PolarHBondContact O-N 3.5Å; I195-A198 PolarHBondContact O-N 2.9Å; F196-A198 PolarHBondContact O-N 3.45Å; A198-Y202 VanDerWaalsContact O-CB 3.3Å; A198-Y202 WeakPolarHBondContact O-CB 3.24Å; A198-Y202 PolarHBondContact O-N 3.14Å; A198-F380 HydrophobicContact CB-CE2 3.88Å; A198-F380 HydrophobicContact CB-CZ 4.37Å
199Y93.7Very high90.7Very high25 Ų2536.9 Ų36.910%0.09819%0.193CC..Hα-helixtrans-63.4-45.9176.6176.3-94.2000112.5Y154 L155 N159 I195 F196 I197 Y202 A203 M373Y154-Y199 AromaticContact CE1-CD1 3.89Å; Y154-Y199 HydrophobicContact CE1-CD1 3.89Å; Y154-Y199 HydrophobicContact CE1-CE1 4.3Å; L155-Y199 HydrophobicContact CD2-CD1 4.34Å; L155-Y199 HydrophobicContact CD2-CD2 3.62Å; L155-Y199 HydrophobicContact CD2-CE1 4.12Å; L155-Y199 HydrophobicContact CD2-CE2 3.37Å; L155-Y199 HydrophobicContact CD2-CG 4.1Å; N159-Y199 PolarHBondContact OD1-OH 2.88Å; I195-Y199 VanDerWaalsContact O-CB 3.29Å; I195-Y199 WeakPolarHBondContact O-CB 3.34Å; I195-Y199 PolarHBondContact O-N 3.28Å; F196-Y199 PolarHBondContact O-N 3.41Å; I197-Y199 VanDerWaalsContact C-N 3.3Å; I197-Y199 PolarHBondContact O-N 3.02Å; Y199-Y202 PolarHBondContact O-N 3.13Å; Y199-A203 PolarHBondContact O-N 3.44Å; Y199-M373 HydrophobicContact CD2-CE 4.29Å
200E91.4Very high89.4Confident23 Ų2339.7 Ų39.711%0.10721%0.212CC..Hα-helixtrans-68.2-42.3178.7-68.8-62.7165.400112.1Y154 F196 I197 Y202 A203 V204 R259 M260Y154-E200 VanDerWaalsContact OH-CD 3.3Å; Y154-E200 VanDerWaalsContact OH-CG 3.25Å; Y154-E200 WeakPolarHBondContact OH-CG 3.16Å; Y154-E200 PolarHBondContact OH-OE1 2.89Å; F196-E200 WeakPolarHBondContact O-CG 3.38Å; F196-E200 PolarHBondContact O-N 3.42Å; I197-E200 PolarHBondContact O-N 3.33Å; E200-Y202 VanDerWaalsContact C-N 3.29Å; E200-Y202 PolarHBondContact O-N 3.33Å; E200-A203 PolarHBondContact O-N 3.19Å; E200-A203 VanDerWaalsContact O-N 3.14Å; E200-V204 WeakPolarHBondContact O-CG2 3.3Å; E200-V204 PolarHBondContact O-N 3.37Å; E200-R259 IonicContact OE1-CZ 3.8Å; E200-R259 IonicContact OE1-NH2 3.59Å; E200-R259 PolarHBondContact OE1-NH2 2.79Å; E200-R259 IonicContact OE2-NH2 2.65Å; E200-M260 HydrophobicContact CG-CG 4.28Å; E200-M260 HydrophobicContact CG-SD 4.19Å
201L90.5Very high88.1Confident114 Ų11441 Ų4160%0.59722%0.221SC*.Hα-helixtrans-59.6-42.4174.8-72.3177000111.3I197 V204 Y205I197-L201 HydrophobicContact CG2-CD1 3.73Å; I197-L201 HydrophobicContact CG2-CG 4.16Å; I197-L201 WeakPolarHBondContact O-CB 3.48Å; I197-L201 VanDerWaalsContact O-CG 3.27Å; I197-L201 WeakPolarHBondContact O-CG 3.47Å; I197-L201 PolarHBondContact O-N 3.04Å; L201-V204 PolarHBondContact O-N 3.11Å; L201-Y205 WeakPolarHBondContact O-CB 3.35Å; L201-Y205 PolarHBondContact O-N 3.17Å
202Y90.1Very high86.3Confident21 Ų2143.3 Ų43.38%0.08223%0.231CC..Hα-helixtrans-63.6-42.3174.4178.1-88.4000111.9A198 Y199 E200 V204 Y205 Q206 T358 S368 R369 C372A198-Y202 VanDerWaalsContact O-CB 3.3Å; A198-Y202 WeakPolarHBondContact O-CB 3.24Å; A198-Y202 PolarHBondContact O-N 3.14Å; Y199-Y202 PolarHBondContact O-N 3.13Å; E200-Y202 VanDerWaalsContact C-N 3.29Å; E200-Y202 PolarHBondContact O-N 3.33Å; Y202-V204 PolarHBondContact O-N 2.74Å; Y202-Y205 WeakPolarHBondContact O-CB 3.32Å; Y202-Y205 PolarHBondContact O-N 3.49Å; Y202-Q206 HydrophobicContact CD1-CG 3.99Å; Y202-Q206 HydrophobicContact CE1-CG 3.37Å; Y202-Q206 HydrophobicContact CE2-CG 4.19Å; Y202-Q206 VanDerWaalsContact CZ-NE2 3.34Å; Y202-Q206 WeakPolarHBondContact O-CG 3.1Å; Y202-Q206 PolarHBondContact O-N 2.91Å; Y202-Q206 PolarHBondContact OH-NE2 3.01Å; Y202-Q206 VanDerWaalsContact OH-NE2 3.13Å; Y202-T358 HydrophobicContact CD2-CG2 3.86Å; Y202-T358 HydrophobicContact CE2-CG2 4.01Å; Y202-S368 PolarHBondContact OH-OG 2.86Å; Y202-R369 HydrophobicContact CD1-CG 4.42Å; Y202-R369 HydrophobicContact CE1-CB 4.38Å; Y202-R369 HydrophobicContact CE1-CG 3.36Å; Y202-R369 VanDerWaalsContact OH-CG 3.27Å; Y202-R369 WeakPolarHBondContact OH-CG 3.3Å; Y202-R369 PolarHBondContact OH-N 3.13Å; Y202-C372 HydrophobicContact CD2-CB 4.11Å; Y202-C372 HydrophobicContact CE2-CB 4.46Å; Y202-C372 HydrophobicContact CG-CB 4.4Å
203A86.1Confident84.3Confident42 Ų4249.2 Ų49.235%0.34726%0.258SS..Hα-helixtrans-62.3-40.9177.300000112.4Y199 E200 Q206 K207Y199-A203 PolarHBondContact O-N 3.44Å; E200-A203 PolarHBondContact O-N 3.19Å; E200-A203 VanDerWaalsContact O-N 3.14Å; A203-Q206 PolarHBondContact O-N 3.21Å; A203-K207 PolarHBondContact O-N 3.31Å; A203-K207 VanDerWaalsContact O-N 3.14Å
204V85.3Confident82.1Confident80 Ų8053.3 Ų53.349%0.48528%0.281SS..Hα-helixtrans-62.4-47173.3172.10000110.7E200 L201 Y202 Q206 K207 I208E200-V204 WeakPolarHBondContact O-CG2 3.3Å; E200-V204 PolarHBondContact O-N 3.37Å; L201-V204 PolarHBondContact O-N 3.11Å; Y202-V204 PolarHBondContact O-N 2.74Å; V204-Q206 VanDerWaalsContact C-N 3.34Å; V204-Q206 PolarHBondContact O-N 3.18Å; V204-K207 WeakPolarHBondContact O-CB 3.45Å; V204-K207 PolarHBondContact O-N 2.92Å; V204-K207 VanDerWaalsContact O-N 3.15Å; V204-I208 HydrophobicContact CG1-CD1 4.08Å; V204-I208 WeakPolarHBondContact O-CG1 2.91Å; V204-I208 PolarHBondContact O-N 3.42Å; V204-I208 VanDerWaalsContact O-N 3.07Å
205Y85Confident79.9Confident69 Ų6959.4 Ų59.427%0.27131%0.305SS..Hα-helixtrans-57.8-44.6177.8177.1-117.1000112.4L201 Y202 K207 I208 L209 V359L201-Y205 WeakPolarHBondContact O-CB 3.35Å; L201-Y205 PolarHBondContact O-N 3.17Å; Y202-Y205 WeakPolarHBondContact O-CB 3.32Å; Y202-Y205 PolarHBondContact O-N 3.49Å; Y205-K207 VanDerWaalsContact C-N 3.31Å; Y205-K207 PolarHBondContact O-N 3.06Å; Y205-I208 WeakPolarHBondContact O-CB 3.41Å; Y205-I208 PolarHBondContact O-N 3.37Å; Y205-L209 HydrophobicContact CD1-CD1 3.98Å; Y205-L209 HydrophobicContact CE1-CD1 3.4Å; Y205-L209 VanDerWaalsContact CE1-CD1 3.4Å; Y205-L209 HydrophobicContact CE1-CG 4.21Å; Y205-L209 HydrophobicContact CE2-CD1 4.17Å; Y205-L209 HydrophobicContact CE2-CD2 4.34Å; Y205-L209 HydrophobicContact CE2-CG 4.07Å; Y205-L209 PolarHBondContact O-N 3.28Å; Y205-V359 HydrophobicContact CE1-CG1 4.29Å; Y205-V359 WeakPolarHBondContact CE1-O 3.12Å; Y205-V359 PolarHBondContact OH-O 3.1Å
206Q81.7Confident77.5Confident42 Ų4262.1 Ų62.120%0.19632%0.324CS..Hα-helixtrans-63-36.7176.8-71.1-57-42.800112.9Y202 A203 V204 I208 L209 S210 L365Y202-Q206 HydrophobicContact CD1-CG 3.99Å; Y202-Q206 HydrophobicContact CE1-CG 3.37Å; Y202-Q206 HydrophobicContact CE2-CG 4.19Å; Y202-Q206 VanDerWaalsContact CZ-NE2 3.34Å; Y202-Q206 WeakPolarHBondContact O-CG 3.1Å; Y202-Q206 PolarHBondContact O-N 2.91Å; Y202-Q206 PolarHBondContact OH-NE2 3.01Å; Y202-Q206 VanDerWaalsContact OH-NE2 3.13Å; A203-Q206 PolarHBondContact O-N 3.21Å; V204-Q206 VanDerWaalsContact C-N 3.34Å; V204-Q206 PolarHBondContact O-N 3.18Å; Q206-I208 VanDerWaalsContact C-N 3.32Å; Q206-I208 PolarHBondContact O-N 3.09Å; Q206-L209 PolarHBondContact O-N 2.89Å; Q206-S210 PolarHBondContact O-N 3.39Å; Q206-S210 PolarHBondContact O-OG 2.87Å; Q206-L365 HydrophobicContact CG-CD1 3.98Å
207K78.8Confident75.1Confident138 Ų13865.2 Ų65.260%0.635%0.345SS*.Hα-helixtrans-66.6-34.8175.9-167.5175.3-175.5172.50112.2A203 V204 Y205 S210 T211A203-K207 PolarHBondContact O-N 3.31Å; A203-K207 VanDerWaalsContact O-N 3.14Å; V204-K207 WeakPolarHBondContact O-CB 3.45Å; V204-K207 PolarHBondContact O-N 2.92Å; V204-K207 VanDerWaalsContact O-N 3.15Å; Y205-K207 VanDerWaalsContact C-N 3.31Å; Y205-K207 PolarHBondContact O-N 3.06Å; K207-S210 PolarHBondContact O-OG 3.29Å; K207-T211 WeakPolarHBondContact O-CB 3.36Å; K207-T211 PolarHBondContact O-N 3.4Å; K207-T211 PolarHBondContact O-OG1 3.21Å
208I79.1Confident72.4Confident35 Ų3567.5 Ų67.518%0.17936%0.358CS..Hα-helixtrans-65.5-50.1174.3-65.7166.7000109.4V204 Y205 Q206 S210 T211 E212 A238 I242V204-I208 HydrophobicContact CG1-CD1 4.08Å; V204-I208 WeakPolarHBondContact O-CG1 2.91Å; V204-I208 PolarHBondContact O-N 3.42Å; V204-I208 VanDerWaalsContact O-N 3.07Å; Y205-I208 WeakPolarHBondContact O-CB 3.41Å; Y205-I208 PolarHBondContact O-N 3.37Å; Q206-I208 VanDerWaalsContact C-N 3.32Å; Q206-I208 PolarHBondContact O-N 3.09Å; I208-S210 VanDerWaalsContact C-N 3.35Å; I208-S210 PolarHBondContact O-N 3.42Å; I208-T211 PolarHBondContact O-N 3.39Å; I208-E212 PolarHBondContact O-N 3.07Å; I208-A238 HydrophobicContact CG2-CB 4.41Å; I208-I242 HydrophobicContact CD1-CD1 4.21Å
209L77.7Confident69.7Low31 Ų3169.3 Ų69.316%0.16237%0.37CS..Hα-helixtrans-58.5-41.4177.9-73.4175.1000113.2Y205 Q206 E212 H213 W361Y205-L209 HydrophobicContact CD1-CD1 3.98Å; Y205-L209 HydrophobicContact CE1-CD1 3.4Å; Y205-L209 VanDerWaalsContact CE1-CD1 3.4Å; Y205-L209 HydrophobicContact CE1-CG 4.21Å; Y205-L209 HydrophobicContact CE2-CD1 4.17Å; Y205-L209 HydrophobicContact CE2-CD2 4.34Å; Y205-L209 HydrophobicContact CE2-CG 4.07Å; Y205-L209 PolarHBondContact O-N 3.28Å; Q206-L209 PolarHBondContact O-N 2.89Å; L209-E212 PolarHBondContact O-N 3.01Å; L209-H213 PolarHBondContact O-N 3.42Å; L209-W361 HydrophobicContact CD2-CB 4.02Å
210S70.5Confident67.1Low59 Ų5975.7 Ų75.741%0.41340%0.398SS..Hα-helixtrans-67.4-37.5178.667.60000112.5Q206 K207 I208 E212 H213 D214Q206-S210 PolarHBondContact O-N 3.39Å; Q206-S210 PolarHBondContact O-OG 2.87Å; K207-S210 PolarHBondContact O-OG 3.29Å; I208-S210 VanDerWaalsContact C-N 3.35Å; I208-S210 PolarHBondContact O-N 3.42Å; S210-E212 VanDerWaalsContact C-N 3.31Å; S210-E212 PolarHBondContact O-N 3.49Å; S210-H213 PolarHBondContact O-N 3.43Å; S210-D214 PolarHBondContact O-N 2.79Å; S210-D214 VanDerWaalsContact O-N 3.14Å
211T67.4Low64.6Low49 Ų4982.9 Ų82.930%0.30143%0.429SS..Hα-helixtrans-65.1-35.8179.7-52.60000111.4K207 I208 F215K207-T211 WeakPolarHBondContact O-CB 3.36Å; K207-T211 PolarHBondContact O-N 3.4Å; K207-T211 PolarHBondContact O-OG1 3.21Å; I208-T211 PolarHBondContact O-N 3.39Å; T211-F215 PolarHBondContact O-N 2.69Å; T211-F215 VanDerWaalsContact O-N 3.13Å
212E60.7Low61.8Low66 Ų6683.4 Ų83.431%0.30843%0.433SS..Hα-helixtrans-68.4-37.2174.6-69.9-168.6149.600112.8I208 L209 S210 F215 S216I208-E212 PolarHBondContact O-N 3.07Å; L209-E212 PolarHBondContact O-N 3.01Å; S210-E212 VanDerWaalsContact C-N 3.31Å; S210-E212 PolarHBondContact O-N 3.49Å; E212-F215 PolarHBondContact O-N 2.96Å; E212-S216 WeakPolarHBondContact O-CB 3.46Å; E212-S216 PolarHBondContact O-N 3.45Å
213H55.2Low59.2Low123 Ų12387.1 Ų87.157%0.56947%0.467SS*.Hα-helixtrans-66.5-37.8177.1-110.6-67000112.6L209 S210 S217L209-H213 PolarHBondContact O-N 3.42Å; S210-H213 PolarHBondContact O-N 3.43Å; H213-S217 WeakPolarHBondContact O-CB 3.38Å; H213-S217 PolarHBondContact O-N 3.18Å; H213-S217 PolarHBondContact O-OG 3.24Å
214D51.5Low56.7Low103 Ų10393.2 Ų93.255%0.55149%0.494SS*.Hα-helixtrans-67.8-36.6173.3-72.9-20.8000111.6S210 S217 N218S210-D214 PolarHBondContact O-N 2.79Å; S210-D214 VanDerWaalsContact O-N 3.14Å; D214-S217 PolarHBondContact O-OG 3.01Å; D214-N218 WeakPolarHBondContact O-CB 3.41Å; D214-N218 PolarHBondContact O-N 3Å
215F48.9Very low54.3Low140 Ų14099.6 Ų99.661%0.61451%0.511SS*.Hα-helixtrans-70.2-40.1175.7-158.7-90.7000112.1T211 E212 S219T211-F215 PolarHBondContact O-N 2.69Å; T211-F215 VanDerWaalsContact O-N 3.13Å; E212-F215 PolarHBondContact O-N 2.96Å; F215-S219 WeakPolarHBondContact O-CB 3.34Å; F215-S219 PolarHBondContact O-N 3.41Å
216S48.4Very low51.8Low58 Ų58104 Ų10441%0.40653%0.534SS..Hα-helixtrans-65-44.3175.1171.50000111.7E212 S219 F220E212-S216 WeakPolarHBondContact O-CB 3.46Å; E212-S216 PolarHBondContact O-N 3.45Å; S216-S219 PolarHBondContact O-N 3.35Å; S216-F220 WeakPolarHBondContact O-CD2 3.36Å; S216-F220 PolarHBondContact O-N 2.97Å
217S46.1Very low49.7Very low64 Ų64110.4 Ų110.445%0.44856%0.561SS.*Hα-helixtrans-70.6-34.1-179.760.60000113.5H213 D214H213-S217 WeakPolarHBondContact O-CB 3.38Å; H213-S217 PolarHBondContact O-N 3.18Å; H213-S217 PolarHBondContact O-OG 3.24Å; D214-S217 PolarHBondContact O-OG 3.01Å
218N38.2Very low48Very low115 Ų115110.3 Ų110.362%0.61557%0.567SS**Hα-helixtrans-77.9-30.4172.8-79.2-28.9000113.1D214 K221D214-N218 WeakPolarHBondContact O-CB 3.41Å; D214-N218 PolarHBondContact O-N 3Å; N218-K221 PolarHBondContact O-N 2.84Å
219S37.5Very low46.4Very low59 Ų59115.6 Ų115.641%0.41359%0.589SS.*Hα-helixtrans-74.7-25.8173.7-171.50000112.6F215 S216 K221 N222F215-S219 WeakPolarHBondContact O-CB 3.34Å; F215-S219 PolarHBondContact O-N 3.41Å; S216-S219 PolarHBondContact O-N 3.35Å; S219-K221 PolarHBondContact O-N 2.86Å; S219-K221 VanDerWaalsContact O-N 3.14Å; S219-N222 CarbonylContact O-C 3.34Å; S219-N222 PolarHBondContact O-N 2.95Å
220F38.8Very low44.8Very low158 Ų158118 Ų11869%0.69361%0.605SS**THydrogen-bonded Turntrans-66.4-10.8173.2-105-81.6000113.6S216S216-F220 WeakPolarHBondContact O-CD2 3.36Å; S216-F220 PolarHBondContact O-N 2.97Å
221K38.5Very low43.8Very low174 Ų174121.4 Ų121.476%0.75762%0.617SS**THydrogen-bonded Turntrans-84.8-18.5168.1-75-174.2175.2179.90113.7N218 S219N218-K221 PolarHBondContact O-N 2.84Å; S219-K221 PolarHBondContact O-N 2.86Å; S219-K221 VanDerWaalsContact O-N 3.14Å
222N33Very low42.9Very low126 Ų126127.1 Ų127.167%0.67464%0.638SS**SBendtrans-133.7112.5-177.1-80.6-16.1000112S219S219-N222 CarbonylContact O-C 3.34Å; S219-N222 PolarHBondContact O-N 2.95Å
223A35.1Very low42.5Very low98 Ų98127.3 Ų127.381%0.8164%0.641SS**  trans82110.516000000118.6Y225A223-Y225 PolarHBondContact O-N 3.5Å; A223-Y225 VanDerWaalsContact O-N 3.08Å
224N33.8Very low42.4Very low171 Ų171124.4 Ų124.491%0.91463%0.629SS**  trans-4997.9153.9-71.9-31.7000111.5
225Y33.5Very low42.4Very low213 Ų213124.7 Ų124.784%0.83563%0.63SS**  trans-170.594.1146.4-157.7-106.3000109.5A223 K227A223-Y225 PolarHBondContact O-N 3.5Å; A223-Y225 VanDerWaalsContact O-N 3.08Å; Y225-K227 PolarHBondContact O-N 3.36Å
226Q34.2Very low42.8Very low163 Ų163120.6 Ų120.676%0.76262%0.618SS**  trans-90.9100.9-176-164.5159.7-23.800109.5
227K37.3Very low43.1Very low175 Ų175120.1 Ų120.176%0.76162%0.615SS**  trans-105.4117.8161.4-155.8175.5-172.6177.90107Y225 K229Y225-K227 PolarHBondContact O-N 3.36Å; K227-K229 PolarHBondContact O-N 3.08Å
228D42Very low43.4Very low137 Ų137117.8 Ų117.873%0.73360%0.599SS**  trans-53.1109.8178.4-73.9-35000109.6T230D228-T230 PolarHBondContact O-N 2.93Å
229K45.2Very low44.3Very low146 Ų146118.6 Ų118.664%0.63560%0.595SS**  trans-63.2122171.2-80.3-177.1178.4176.20107.9K227 D233K227-K229 PolarHBondContact O-N 3.08Å; K229-D233 HydrophobicContact CB-CB 4.09Å; K229-D233 HydrophobicContact CG-CB 4.22Å
230T44.8Very low45Very low81 Ų81122.8 Ų122.850%0.49761%0.606SS.*  trans-75.4162.1176.450.60000110.7D228 K232 D233 I234D228-T230 PolarHBondContact O-N 2.93Å; T230-K232 PolarHBondContact O-N 2.81Å; T230-D233 PolarHBondContact N-OD2 2.98Å; T230-D233 WeakPolarHBondContact O-CB 3.43Å; T230-D233 PolarHBondContact O-N 3.1Å; T230-D233 PolarHBondContact OG1-OD2 2.89Å; T230-I234 PolarHBondContact O-N 2.9Å
231I49.7Very low45.6Very low130 Ų130119.5 Ų119.567%0.66759%0.592SS**Hα-helixtrans-49.8-33.3174.5-67.9172000111.7I234 I235I231-I234 PolarHBondContact O-N 3.44Å; I231-I235 HydrophobicContact CG2-CD1 3.64Å; I231-I235 HydrophobicContact CG2-CG1 4.2Å; I231-I235 WeakPolarHBondContact O-CB 2.85Å; I231-I235 VanDerWaalsContact O-CG1 3.26Å; I231-I235 WeakPolarHBondContact O-CG1 3Å; I231-I235 PolarHBondContact O-N 3.47Å
232K49Very low46.3Very low170 Ų170114.5 Ų114.574%0.73957%0.573SS**Hα-helixtrans-62.7-39.5175-82.5-175.9174.6179.20113T230 I235 S236T230-K232 PolarHBondContact O-N 2.81Å; K232-I235 PolarHBondContact O-N 3.34Å; K232-S236 WeakPolarHBondContact O-CB 3.29Å; K232-S236 PolarHBondContact O-N 3.18Å
233D51.1Low47Very low69 Ų69112.2 Ų112.237%0.36956%0.559SS.*Hα-helixtrans-68.2-40179.3-58.8-48.2000110.8K229 T230 S236 S237K229-D233 HydrophobicContact CB-CB 4.09Å; K229-D233 HydrophobicContact CG-CB 4.22Å; T230-D233 PolarHBondContact N-OD2 2.98Å; T230-D233 WeakPolarHBondContact O-CB 3.43Å; T230-D233 PolarHBondContact O-N 3.1Å; T230-D233 PolarHBondContact OG1-OD2 2.89Å; D233-S236 PolarHBondContact O-N 2.98Å; D233-S236 PolarHBondContact O-OG 3.27Å; D233-S237 WeakPolarHBondContact O-CB 3.48Å; D233-S237 PolarHBondContact O-N 3.36Å; D233-S237 PolarHBondContact O-OG 2.87Å
234I53.3Low47.6Very low63 Ų63115.9 Ų115.932%0.32356%0.556SS.*Hα-helixtrans-61.5-49173-63.4171.9000110.8T230 I231 S236 S237 A238T230-I234 PolarHBondContact O-N 2.9Å; I231-I234 PolarHBondContact O-N 3.44Å; I234-S236 VanDerWaalsContact C-N 3.29Å; I234-S236 PolarHBondContact O-N 3.21Å; I234-S237 PolarHBondContact O-N 2.76Å; I234-S237 PolarHBondContact O-OG 3.38Å; I234-A238 WeakPolarHBondContact O-CB 3.44Å; I234-A238 PolarHBondContact O-N 3.47Å
235I52.7Low48.2Very low109 Ų109113 Ų11356%0.55954%0.536SS*.Hα-helixtrans-62.6-39.5177.2-68.8169.1000110.2I231 K232 Y239I231-I235 HydrophobicContact CG2-CD1 3.64Å; I231-I235 HydrophobicContact CG2-CG1 4.2Å; I231-I235 WeakPolarHBondContact O-CB 2.85Å; I231-I235 VanDerWaalsContact O-CG1 3.26Å; I231-I235 WeakPolarHBondContact O-CG1 3Å; I231-I235 PolarHBondContact O-N 3.47Å; K232-I235 PolarHBondContact O-N 3.34Å; I235-Y239 WeakPolarHBondContact O-CA 3.24Å; I235-Y239 WeakPolarHBondContact O-CB 3.44Å; I235-Y239 PolarHBondContact O-N 2.83Å
236S57.5Low48.7Very low54 Ų54106.8 Ų106.838%0.37852%0.516SS..Hα-helixtrans-70.9-37.4-179.584.50000113.1K232 D233 I234 Y239 K240K232-S236 WeakPolarHBondContact O-CB 3.29Å; K232-S236 PolarHBondContact O-N 3.18Å; D233-S236 PolarHBondContact O-N 2.98Å; D233-S236 PolarHBondContact O-OG 3.27Å; I234-S236 VanDerWaalsContact C-N 3.29Å; I234-S236 PolarHBondContact O-N 3.21Å; S236-Y239 PolarHBondContact O-N 3.18Å; S236-K240 WeakPolarHBondContact O-CB 3.49Å; S236-K240 WeakPolarHBondContact O-CG 3.14Å; S236-K240 PolarHBondContact O-N 3.34Å
237S53Low49.2Very low47 Ų47107 Ų10733%0.32952%0.515SS..Hα-helixtrans-72.5-43.5177.766.80000110.5D233 I234 K240 Q241D233-S237 WeakPolarHBondContact O-CB 3.48Å; D233-S237 PolarHBondContact O-N 3.36Å; D233-S237 PolarHBondContact O-OG 2.87Å; I234-S237 PolarHBondContact O-N 2.76Å; I234-S237 PolarHBondContact O-OG 3.38Å; S237-K240 PolarHBondContact O-N 3.16Å; S237-Q241 WeakPolarHBondContact O-CB 3.33Å; S237-Q241 PolarHBondContact O-N 2.89Å
238A53.9Low49.5Very low15 Ų15101 Ų10112%0.12450%0.496CS..Hα-helixtrans-59-47.9170.500000109.8I208 I234 K240 Q241 I242I208-A238 HydrophobicContact CG2-CB 4.41Å; I234-A238 WeakPolarHBondContact O-CB 3.44Å; I234-A238 PolarHBondContact O-N 3.47Å; A238-K240 PolarHBondContact O-N 3.43Å; A238-Q241 PolarHBondContact O-N 2.99Å; A238-I242 HydrophobicContact CB-CD1 4.29Å; A238-I242 WeakPolarHBondContact O-CA 3.27Å; A238-I242 WeakPolarHBondContact O-CB 3.4Å; A238-I242 WeakPolarHBondContact O-CD1 3.42Å; A238-I242 WeakPolarHBondContact O-CG1 3.45Å; A238-I242 PolarHBondContact O-N 3.32Å
239Y55.7Low49.5Very low132 Ų13299.8 Ų99.852%0.51850%0.495SS..Hα-helixtrans-60.1-43.1177.2-177.4-95.3000112.3I235 S236 I242 Q243I235-Y239 WeakPolarHBondContact O-CA 3.24Å; I235-Y239 WeakPolarHBondContact O-CB 3.44Å; I235-Y239 PolarHBondContact O-N 2.83Å; S236-Y239 PolarHBondContact O-N 3.18Å; Y239-I242 PolarHBondContact O-N 3.08Å; Y239-Q243 HydrophobicContact CD1-CG 4.16Å; Y239-Q243 HydrophobicContact CE1-CG 3.7Å; Y239-Q243 HydrophobicContact CE2-CG 4.36Å; Y239-Q243 VanDerWaalsContact O-CB 3.32Å; Y239-Q243 WeakPolarHBondContact O-CB 3.29Å; Y239-Q243 PolarHBondContact O-N 3.48Å; Y239-Q243 PolarHBondContact OH-NE2 2.63Å
240K52.3Low49.6Very low148 Ų14895.7 Ų95.764%0.64349%0.488SS*.Hα-helixtrans-66.9-40176-79.4-179.4179-179.80112.4S236 S237 A238 F244S236-K240 WeakPolarHBondContact O-CB 3.49Å; S236-K240 WeakPolarHBondContact O-CG 3.14Å; S236-K240 PolarHBondContact O-N 3.34Å; S237-K240 PolarHBondContact O-N 3.16Å; A238-K240 PolarHBondContact O-N 3.43Å; K240-F244 WeakPolarHBondContact O-CB 3.32Å; K240-F244 PolarHBondContact O-N 2.95Å
241Q52.9Low49.2Very low88 Ų8896.8 Ų96.841%0.41148%0.483SS..Hα-helixtrans-69.1-39.2174-99.5-173.8-5.100112.4S237 A238 K245S237-Q241 WeakPolarHBondContact O-CB 3.33Å; S237-Q241 PolarHBondContact O-N 2.89Å; A238-Q241 PolarHBondContact O-N 2.99Å; Q241-K245 VanDerWaalsContact O-CB 3.28Å; Q241-K245 WeakPolarHBondContact O-CB 3.32Å; Q241-K245 WeakPolarHBondContact O-CG 3.12Å; Q241-K245 PolarHBondContact O-N 3.36Å
242I51.6Low49Very low69 Ų6998.7 Ų98.735%0.35449%0.487SS..Hα-helixtrans-63.1-50.4174.9-75.1168.9000108.2I208 A238 Y239 K245 L246I208-I242 HydrophobicContact CD1-CD1 4.21Å; A238-I242 HydrophobicContact CB-CD1 4.29Å; A238-I242 WeakPolarHBondContact O-CA 3.27Å; A238-I242 WeakPolarHBondContact O-CB 3.4Å; A238-I242 WeakPolarHBondContact O-CD1 3.42Å; A238-I242 WeakPolarHBondContact O-CG1 3.45Å; A238-I242 PolarHBondContact O-N 3.32Å; Y239-I242 PolarHBondContact O-N 3.08Å; I242-K245 PolarHBondContact O-N 3.39Å; I242-L246 HydrophobicContact CB-CD1 4.3Å; I242-L246 HydrophobicContact CG2-CD1 3.18Å; I242-L246 WeakPolarHBondContact O-CA 3.43Å; I242-L246 WeakPolarHBondContact O-CB 3.22Å; I242-L246 WeakPolarHBondContact O-CD1 3.3Å; I242-L246 PolarHBondContact O-N 3.39Å
243Q48.8Very low49.1Very low79 Ų7995.4 Ų95.437%0.36949%0.486SS..Hα-helixtrans-59.3-50.6173.9-85.9-155.5-46.600112.2Y239 K245 L246 F247Y239-Q243 HydrophobicContact CD1-CG 4.16Å; Y239-Q243 HydrophobicContact CE1-CG 3.7Å; Y239-Q243 HydrophobicContact CE2-CG 4.36Å; Y239-Q243 VanDerWaalsContact O-CB 3.32Å; Y239-Q243 WeakPolarHBondContact O-CB 3.29Å; Y239-Q243 PolarHBondContact O-N 3.48Å; Y239-Q243 PolarHBondContact OH-NE2 2.63Å; Q243-K245 PolarHBondContact O-N 2.89Å; Q243-L246 PolarHBondContact O-N 2.96Å; Q243-F247 HydrophobicContact CG-CE2 4.45Å; Q243-F247 WeakPolarHBondContact O-CD2 3.5Å; Q243-F247 PolarHBondContact O-N 3.24Å; Q243-F247 VanDerWaalsContact O-N 3.13Å
244F46.7Very low50.1Low174 Ų17494.6 Ų94.676%0.76349%0.485SS*.Hα-helixtrans-62-30.4-178.7-169.3-96.8000112.4K240K240-F244 WeakPolarHBondContact O-CB 3.32Å; K240-F244 PolarHBondContact O-N 2.95Å
245K47.6Very low51.1Low111 Ų11193.1 Ų93.148%0.48348%0.482SS..Hα-helixtrans-90-31.7175.5-74.2-179.5177.1170.10114.7Q241 I242 Q243Q241-K245 VanDerWaalsContact O-CB 3.28Å; Q241-K245 WeakPolarHBondContact O-CB 3.32Å; Q241-K245 WeakPolarHBondContact O-CG 3.12Å; Q241-K245 PolarHBondContact O-N 3.36Å; I242-K245 PolarHBondContact O-N 3.39Å; Q243-K245 PolarHBondContact O-N 2.89Å
246L43.2Very low52.5Low82 Ų8290.3 Ų90.343%0.42947%0.471SS..Hα-helixtrans-70-34.8178.7-106120.9000112I242 Q243 W251I242-L246 HydrophobicContact CB-CD1 4.3Å; I242-L246 HydrophobicContact CG2-CD1 3.18Å; I242-L246 WeakPolarHBondContact O-CA 3.43Å; I242-L246 WeakPolarHBondContact O-CB 3.22Å; I242-L246 WeakPolarHBondContact O-CD1 3.3Å; I242-L246 PolarHBondContact O-N 3.39Å; Q243-L246 PolarHBondContact O-N 2.96Å; L246-W251 HydrophobicContact CD2-CH2 4.19Å; L246-W251 HydrophobicContact CD2-CZ3 4.23Å; L246-W251 HydrophobicContact CG-CH2 4.49Å; L246-W251 HydrophobicContact CG-CZ2 4.48Å
247F45.3Very low53.7Low167 Ų16789.2 Ų89.273%0.73246%0.462SS*.THydrogen-bonded Turntrans-91.83.3-179.4-72.2-77.3000113.7Q243Q243-F247 HydrophobicContact CG-CE2 4.45Å; Q243-F247 WeakPolarHBondContact O-CD2 3.5Å; Q243-F247 PolarHBondContact O-N 3.24Å; Q243-F247 VanDerWaalsContact O-N 3.13Å
248S42.5Very low55.2Low51 Ų5188.5 Ų88.536%0.35745%0.452SS..SBendtrans-81.3128171.4-176.10000110.1A250 W251S248-A250 PolarHBondContact O-N 3.07Å; S248-W251 WeakPolarHBondContact O-CB 3.37Å; S248-W251 PolarHBondContact O-N 3.46Å
249P43.4Very low56.9Low110 Ų11088.3 Ų88.371%0.71445%0.448SS*.G310 helixtrans-57.8-16.9175.511-18.5000113.8W251 F252P249-W251 PolarHBondContact O-N 3.25Å; P249-F252 PolarHBondContact O-N 3.38Å
250A46.6Very low58.5Low60 Ų6083.8 Ų83.850%0.49643%0.432SS..G310 helixtrans-63.2-13.8171.900000114.2S248 S253S248-A250 PolarHBondContact O-N 3.07Å; A250-S253 PolarHBondContact O-N 2.98Å
251W37.2Very low60.4Low104 Ų10483.3 Ų83.339%0.39443%0.431SS..G310 helixtrans-71.7-33.2178.9-154.458.6000113.1L246 S248 P249 S253 C254 V257L246-W251 HydrophobicContact CD2-CH2 4.19Å; L246-W251 HydrophobicContact CD2-CZ3 4.23Å; L246-W251 HydrophobicContact CG-CH2 4.49Å; L246-W251 HydrophobicContact CG-CZ2 4.48Å; S248-W251 WeakPolarHBondContact O-CB 3.37Å; S248-W251 PolarHBondContact O-N 3.46Å; P249-W251 PolarHBondContact O-N 3.25Å; W251-S253 PolarHBondContact O-N 3.19Å; W251-C254 VanDerWaalsContact O-CB 3.28Å; W251-C254 WeakPolarHBondContact O-CB 3.29Å; W251-C254 PolarHBondContact O-N 3.32Å; W251-V257 HydrophobicContact CD2-CG1 4.47Å; W251-V257 HydrophobicContact CD2-CG2 3.69Å; W251-V257 VanDerWaalsContact CE2-CG2 3.45Å; W251-V257 HydrophobicContact CE3-CG1 4.08Å; W251-V257 HydrophobicContact CE3-CG2 4.1Å; W251-V257 HydrophobicContact CG-CG2 4.2Å; W251-V257 HydrophobicContact CH2-CG1 4.47Å; W251-V257 HydrophobicContact CH2-CG2 4.09Å; W251-V257 HydrophobicContact CZ2-CG2 3.68Å; W251-V257 HydrophobicContact CZ3-CG1 4.08Å; W251-V257 HydrophobicContact CZ3-CG2 4.28Å
252F45.3Very low62.3Low170 Ų17080.3 Ų80.375%0.74642%0.417SS*.THydrogen-bonded Turntrans-63.6-22.9172.8-77.5-77000112.4P249P249-F252 PolarHBondContact O-N 3.38Å
253S51.2Low64.3Low102 Ų10277.2 Ų77.271%0.71340%0.401SS*.THydrogen-bonded Turntrans-86-2.5174.2-53.40000113.6A250 W251A250-S253 PolarHBondContact O-N 2.98Å; W251-S253 PolarHBondContact O-N 3.19Å
254C71.1Confident66.6Low52 Ų5276.7 Ų76.735%0.35140%0.401SS..SBendtrans-81.5124-180-72.90000111.4W251 P256 V257W251-C254 VanDerWaalsContact O-CB 3.28Å; W251-C254 WeakPolarHBondContact O-CB 3.29Å; W251-C254 PolarHBondContact O-N 3.32Å; C254-P256 VanDerWaalsContact C-CD 3.45Å; C254-P256 VanDerWaalsContact O-N 3.16Å; C254-V257 HydrophobicContact CB-CG2 4.15Å; C254-V257 PolarHBondContact O-N 3.02Å
255A74.7Confident68.9Low32 Ų3272.1 Ų72.126%0.26439%0.387SS..Hα-helixtrans-46.1-47.3-175.800000116.4V257 Y258 R259A255-V257 VanDerWaalsContact C-N 3.33Å; A255-V257 PolarHBondContact O-N 2.96Å; A255-Y258 HydrophobicContact CB-CE1 4.01Å; A255-R259 VanDerWaalsContact O-CG 3.29Å; A255-R259 WeakPolarHBondContact O-CG 3.38Å; A255-R259 PolarHBondContact O-N 3.18Å
256P81.9Confident71.1Confident49 Ų4969.3 Ų69.332%0.31838%0.375SS..Hα-helixtrans-62-35.7179.6-23.535000114.6C254 R259 M260C254-P256 VanDerWaalsContact C-CD 3.45Å; C254-P256 VanDerWaalsContact O-N 3.16Å; P256-R259 PolarHBondContact O-N 3.12Å; P256-M260 WeakPolarHBondContact O-CB 3.19Å; P256-M260 VanDerWaalsContact O-CG 3.31Å; P256-M260 WeakPolarHBondContact O-CG 3.34Å; P256-M260 PolarHBondContact O-N 3.14Å
257V82.9Confident73.6Confident31 Ų3168.2 Ų68.219%0.18837%0.366CS..Hα-helixtrans-68.5-50.2-173.3179.50000110.4W251 C254 A255 R259 M260 F261W251-V257 HydrophobicContact CD2-CG1 4.47Å; W251-V257 HydrophobicContact CD2-CG2 3.69Å; W251-V257 VanDerWaalsContact CE2-CG2 3.45Å; W251-V257 HydrophobicContact CE3-CG1 4.08Å; W251-V257 HydrophobicContact CE3-CG2 4.1Å; W251-V257 HydrophobicContact CG-CG2 4.2Å; W251-V257 HydrophobicContact CH2-CG1 4.47Å; W251-V257 HydrophobicContact CH2-CG2 4.09Å; W251-V257 HydrophobicContact CZ2-CG2 3.68Å; W251-V257 HydrophobicContact CZ3-CG1 4.08Å; W251-V257 HydrophobicContact CZ3-CG2 4.28Å; C254-V257 HydrophobicContact CB-CG2 4.15Å; C254-V257 PolarHBondContact O-N 3.02Å; A255-V257 VanDerWaalsContact C-N 3.33Å; A255-V257 PolarHBondContact O-N 2.96Å; V257-R259 VanDerWaalsContact C-N 3.34Å; V257-R259 PolarHBondContact O-N 3.37Å; V257-M260 PolarHBondContact O-N 3.41Å; V257-F261 WeakPolarHBondContact O-CB 3.34Å; V257-F261 PolarHBondContact O-N 3.17Å
258Y84Confident76.1Confident33 Ų3364.1 Ų64.113%0.12935%0.351CS..Hα-helixtrans-68.5-33.6178.172.6-110.7000112F165 N168 A255 M260 F261 I262F165-Y258 HydrophobicContact CD2-CE1 4.2Å; F165-Y258 HydrophobicContact CE2-CE1 4.41Å; N168-Y258 HydrophobicContact CB-CE2 3.87Å; N168-Y258 WeakPolarHBondContact CB-OH 3.46Å; N168-Y258 PolarHBondContact ND2-OH 2.81Å; A255-Y258 HydrophobicContact CB-CE1 4.01Å; Y258-M260 VanDerWaalsContact C-N 3.34Å; Y258-M260 PolarHBondContact O-N 3.43Å; Y258-F261 PolarHBondContact O-N 2.77Å; Y258-I262 HydrophobicContact CD2-CD1 4Å; Y258-I262 WeakPolarHBondContact O-CD1 3.3Å; Y258-I262 VanDerWaalsContact O-CG1 3.25Å; Y258-I262 WeakPolarHBondContact O-CG1 3.48Å; Y258-I262 PolarHBondContact O-N 3.03Å
259R89.2Confident78.6Confident11 Ų1164.2 Ų64.24%0.04236%0.355CS..Hα-helixtrans-58-49.8173.6-73.3-164.1-52.7-104.61.2110.3S158 S172 E200 A255 P256 V257 F261 I262 L263S158-R259 PolarHBondContact OG-NH2 3.29Å; S172-R259 WeakPolarHBondContact OG-CG 3.24Å; E200-R259 IonicContact OE1-CZ 3.8Å; E200-R259 IonicContact OE1-NH2 3.59Å; E200-R259 PolarHBondContact OE1-NH2 2.79Å; E200-R259 IonicContact OE2-NH2 2.65Å; A255-R259 VanDerWaalsContact O-CG 3.29Å; A255-R259 WeakPolarHBondContact O-CG 3.38Å; A255-R259 PolarHBondContact O-N 3.18Å; P256-R259 PolarHBondContact O-N 3.12Å; V257-R259 VanDerWaalsContact C-N 3.34Å; V257-R259 PolarHBondContact O-N 3.37Å; R259-F261 VanDerWaalsContact C-N 3.34Å; R259-F261 PolarHBondContact O-N 3.18Å; R259-I262 PolarHBondContact O-N 3.08Å; R259-L263 VanDerWaalsContact O-CG 3.28Å; R259-L263 WeakPolarHBondContact O-CG 3.44Å; R259-L263 PolarHBondContact O-N 3.5Å
260M91Very high81Confident36 Ų3660.1 Ų60.118%0.17733%0.328CS..Hα-helixtrans-64.6-38.3179.4-72.8-54.5-58.300112.2F193 F196 I197 E200 P256 V257 Y258 L263 L264F193-M260 HydrophobicContact CD2-CE 4.49Å; F193-M260 HydrophobicContact CE2-CE 3.69Å; F193-M260 HydrophobicContact CZ-CE 3.83Å; F196-M260 HydrophobicContact CB-SD 4.14Å; I197-M260 HydrophobicContact CD1-CE 4.47Å; I197-M260 HydrophobicContact CG1-CE 3.47Å; I197-M260 VanDerWaalsContact CG1-CE 3.47Å; E200-M260 HydrophobicContact CG-CG 4.28Å; E200-M260 HydrophobicContact CG-SD 4.19Å; P256-M260 WeakPolarHBondContact O-CB 3.19Å; P256-M260 VanDerWaalsContact O-CG 3.31Å; P256-M260 WeakPolarHBondContact O-CG 3.34Å; P256-M260 PolarHBondContact O-N 3.14Å; V257-M260 PolarHBondContact O-N 3.41Å; Y258-M260 VanDerWaalsContact C-N 3.34Å; Y258-M260 PolarHBondContact O-N 3.43Å; M260-L263 PolarHBondContact O-N 3.31Å; M260-L264 VanDerWaalsContact O-CB 3.23Å; M260-L264 WeakPolarHBondContact O-CB 3.42Å; M260-L264 PolarHBondContact O-N 3.38Å
261F91.6Very high83.2Confident139 Ų13960 Ų6061%0.6132%0.319SS*.Hα-helixtrans-62.2-48.5175-178.7-99.6000111.9V257 Y258 R259 L263 L264 V265V257-F261 WeakPolarHBondContact O-CB 3.34Å; V257-F261 PolarHBondContact O-N 3.17Å; Y258-F261 PolarHBondContact O-N 2.77Å; R259-F261 VanDerWaalsContact C-N 3.34Å; R259-F261 PolarHBondContact O-N 3.18Å; F261-L263 VanDerWaalsContact C-N 3.34Å; F261-L263 PolarHBondContact O-N 3.31Å; F261-L264 WeakPolarHBondContact O-CB 3.35Å; F261-L264 PolarHBondContact O-N 3.39Å; F261-V265 HydrophobicContact CE1-CG2 4.17Å; F261-V265 HydrophobicContact CZ-CG2 4.29Å; F261-V265 WeakPolarHBondContact O-CG2 3.48Å; F261-V265 PolarHBondContact O-N 2.86Å
262I92.1Very high85.9Confident25 Ų2560.1 Ų60.113%0.12833%0.326CS..Hα-helixtrans-58.6-48.1177.3-67.6162.2000110.3L169 L173 Y258 R259 L264 V265 F266L169-I262 HydrophobicContact CD1-CD1 3.58Å; L173-I262 HydrophobicContact CD2-CG2 4.09Å; Y258-I262 HydrophobicContact CD2-CD1 4Å; Y258-I262 WeakPolarHBondContact O-CD1 3.3Å; Y258-I262 VanDerWaalsContact O-CG1 3.25Å; Y258-I262 WeakPolarHBondContact O-CG1 3.48Å; Y258-I262 PolarHBondContact O-N 3.03Å; R259-I262 PolarHBondContact O-N 3.08Å; I262-L264 VanDerWaalsContact C-N 3.3Å; I262-L264 PolarHBondContact O-N 3.25Å; I262-V265 WeakPolarHBondContact O-CB 3.36Å; I262-V265 PolarHBondContact O-N 3.28Å; I262-F266 HydrophobicContact CG2-CD2 4.06Å; I262-F266 HydrophobicContact CG2-CE2 3.98Å; I262-F266 WeakPolarHBondContact O-CD2 3.39Å; I262-F266 PolarHBondContact O-N 3.24Å; I262-F266 VanDerWaalsContact O-N 3.15Å
263L94.9Very high88.2Confident3 Ų354.3 Ų54.32%0.01631%0.309CS..Hα-helixtrans-66.8-32-179.6-66.3175.3000112.5Y154 V175 F193 F196 R259 M260 F261 F266 F267Y154-L263 HydrophobicContact CD2-CD1 3.75Å; Y154-L263 HydrophobicContact CE2-CD1 3.54Å; V175-L263 HydrophobicContact CB-CD2 4.07Å; V175-L263 HydrophobicContact CG1-CD1 4.3Å; V175-L263 HydrophobicContact CG1-CD2 3.66Å; F193-L263 HydrophobicContact CD2-CB 4.03Å; F193-L263 HydrophobicContact CE2-CB 3.73Å; F196-L263 HydrophobicContact CD2-CD1 3.71Å; F196-L263 HydrophobicContact CE2-CD1 3.92Å; R259-L263 VanDerWaalsContact O-CG 3.28Å; R259-L263 WeakPolarHBondContact O-CG 3.44Å; R259-L263 PolarHBondContact O-N 3.5Å; M260-L263 PolarHBondContact O-N 3.31Å; F261-L263 VanDerWaalsContact C-N 3.34Å; F261-L263 PolarHBondContact O-N 3.31Å; L263-F266 PolarHBondContact O-N 2.99Å; L263-F267 VanDerWaalsContact O-CB 3.32Å; L263-F267 WeakPolarHBondContact O-CB 3.44Å; L263-F267 PolarHBondContact O-N 3.07Å
264L95.7Very high90Very high69 Ų6951.4 Ų51.436%0.36128%0.283SS..Hα-helixtrans-65.1-39.3172.9-178.264.2000111.4F193 M260 F261 I262 F267 I268F193-L264 HydrophobicContact CE1-CD1 4.03Å; F193-L264 HydrophobicContact CE2-CB 4.49Å; F193-L264 HydrophobicContact CZ-CB 3.98Å; F193-L264 HydrophobicContact CZ-CD1 3.87Å; M260-L264 VanDerWaalsContact O-CB 3.23Å; M260-L264 WeakPolarHBondContact O-CB 3.42Å; M260-L264 PolarHBondContact O-N 3.38Å; F261-L264 WeakPolarHBondContact O-CB 3.35Å; F261-L264 PolarHBondContact O-N 3.39Å; I262-L264 VanDerWaalsContact C-N 3.3Å; I262-L264 PolarHBondContact O-N 3.25Å; L264-F267 HydrophobicContact CD1-CD1 4.33Å; L264-F267 WeakPolarHBondContact O-CB 3.45Å; L264-F267 PolarHBondContact O-N 3.48Å; L264-I268 HydrophobicContact CD1-CD1 4.02Å; L264-I268 HydrophobicContact CD1-CG1 4.21Å; L264-I268 HydrophobicContact CG-CD1 3.89Å; L264-I268 HydrophobicContact CG-CG1 4.44Å; L264-I268 WeakPolarHBondContact O-CB 3.44Å; L264-I268 VanDerWaalsContact O-CG1 3.3Å; L264-I268 WeakPolarHBondContact O-CG1 3.28Å; L264-I268 PolarHBondContact O-N 3.29Å
265V95.4Very high90.8Very high78 Ų7853.9 Ų53.947%0.47329%0.291SS..Hα-helixtrans-61-47.5174.21730000110.6F261 I262 F267 I268 A269F261-V265 HydrophobicContact CE1-CG2 4.17Å; F261-V265 HydrophobicContact CZ-CG2 4.29Å; F261-V265 WeakPolarHBondContact O-CG2 3.48Å; F261-V265 PolarHBondContact O-N 2.86Å; I262-V265 WeakPolarHBondContact O-CB 3.36Å; I262-V265 PolarHBondContact O-N 3.28Å; V265-F267 PolarHBondContact O-N 3.49Å; V265-I268 PolarHBondContact O-N 3.47Å; V265-A269 VanDerWaalsContact O-CB 3.24Å; V265-A269 WeakPolarHBondContact O-CB 3.5Å; V265-A269 PolarHBondContact O-N 3.3Å
266F94.7Very high91.6Very high52 Ų5260.7 Ų60.723%0.22832%0.315CS..Hα-helixtrans-60.1-45.3174.5-84-80.3000112.3L173 C180 I262 L263 I268 A269 V270L173-F266 HydrophobicContact CD2-CE2 3.84Å; L173-F266 HydrophobicContact CD2-CZ 4.16Å; C180-F266 VanDerWaalsContact SG-CD1 3.57Å; I262-F266 HydrophobicContact CG2-CD2 4.06Å; I262-F266 HydrophobicContact CG2-CE2 3.98Å; I262-F266 WeakPolarHBondContact O-CD2 3.39Å; I262-F266 PolarHBondContact O-N 3.24Å; I262-F266 VanDerWaalsContact O-N 3.15Å; L263-F266 PolarHBondContact O-N 2.99Å; F266-I268 PolarHBondContact O-N 3.44Å; F266-A269 PolarHBondContact O-N 3.29Å; F266-V270 WeakPolarHBondContact O-CB 3.46Å; F266-V270 VanDerWaalsContact O-CG2 3.32Å; F266-V270 WeakPolarHBondContact O-CG2 3.38Å; F266-V270 PolarHBondContact O-N 3.5Å
267F95.4Very high91.8Very high58 Ų5861.1 Ų61.125%0.25431%0.314SS..Hα-helixtrans-57.2-50.7178.4176.5-94.6000111.6I190 F193 L263 L264 V265 L271I190-F267 HydrophobicContact CD1-CD2 3.79Å; I190-F267 HydrophobicContact CD1-CE2 3.84Å; I190-F267 HydrophobicContact CG1-CD2 3.64Å; I190-F267 HydrophobicContact CG1-CE2 3.79Å; F193-F267 HydrophobicContact CB-CD2 3.95Å; F193-F267 HydrophobicContact CB-CE2 4.4Å; F193-F267 HydrophobicContact CD1-CB 4.36Å; F193-F267 HydrophobicContact CD1-CD1 4.39Å; F193-F267 AromaticContact CD1-CD2 3.7Å; F193-F267 HydrophobicContact CD1-CD2 3.7Å; F193-F267 HydrophobicContact CD1-CE2 4.03Å; F193-F267 AromaticContact CD1-CG 3.91Å; F193-F267 HydrophobicContact CD1-CG 3.91Å; F193-F267 HydrophobicContact CD1-CZ 4.49Å; F193-F267 HydrophobicContact CE1-CB 4.48Å; F193-F267 HydrophobicContact CE1-CD1 4.38Å; F193-F267 HydrophobicContact CE1-CD2 4.44Å; F193-F267 HydrophobicContact CE1-CG 4.2Å; F193-F267 HydrophobicContact CG-CB 4.4Å; F193-F267 AromaticContact CG-CD2 3.92Å; F193-F267 HydrophobicContact CG-CD2 3.92Å; F193-F267 HydrophobicContact CG-CG 4.28Å; L263-F267 VanDerWaalsContact O-CB 3.32Å; L263-F267 WeakPolarHBondContact O-CB 3.44Å; L263-F267 PolarHBondContact O-N 3.07Å; L264-F267 HydrophobicContact CD1-CD1 4.33Å; L264-F267 WeakPolarHBondContact O-CB 3.45Å; L264-F267 PolarHBondContact O-N 3.48Å; V265-F267 PolarHBondContact O-N 3.49Å; F267-L271 HydrophobicContact CD1-CD1 3.89Å; F267-L271 HydrophobicContact CE1-CD1 3.3Å; F267-L271 HydrophobicContact CE1-CG 4.37Å; F267-L271 HydrophobicContact CE2-CD1 4.19Å; F267-L271 HydrophobicContact CZ-CD1 3.48Å; F267-L271 VanDerWaalsContact CZ-CD1 3.48Å; F267-L271 HydrophobicContact CZ-CG 4.39Å; F267-L271 WeakPolarHBondContact O-CB 3.39Å; F267-L271 WeakPolarHBondContact O-CG 3.49Å; F267-L271 PolarHBondContact O-N 2.92Å
268I96.5Very high91.7Very high82 Ų8261.5 Ų61.542%0.42131%0.314SS..Hα-helixtrans-64-44.7178.4-67.3170.5000110.6L264 V265 F266 V270 L271 I272L264-I268 HydrophobicContact CD1-CD1 4.02Å; L264-I268 HydrophobicContact CD1-CG1 4.21Å; L264-I268 HydrophobicContact CG-CD1 3.89Å; L264-I268 HydrophobicContact CG-CG1 4.44Å; L264-I268 WeakPolarHBondContact O-CB 3.44Å; L264-I268 VanDerWaalsContact O-CG1 3.3Å; L264-I268 WeakPolarHBondContact O-CG1 3.28Å; L264-I268 PolarHBondContact O-N 3.29Å; V265-I268 PolarHBondContact O-N 3.47Å; F266-I268 PolarHBondContact O-N 3.44Å; I268-V270 PolarHBondContact O-N 3.28Å; I268-L271 PolarHBondContact O-N 3.36Å; I268-I272 HydrophobicContact CG2-CD1 3.6Å; I268-I272 HydrophobicContact CG2-CG1 4.22Å; I268-I272 VanDerWaalsContact O-CG1 3.31Å; I268-I272 WeakPolarHBondContact O-CG1 3.49Å; I268-I272 PolarHBondContact O-N 3.03Å
269A95.9Very high91.6Very high53 Ų5363.4 Ų63.444%0.43834%0.337SS..Hα-helixtrans-60.7-45.8-179.800000112.2V265 F266 I272 A273V265-A269 VanDerWaalsContact O-CB 3.24Å; V265-A269 WeakPolarHBondContact O-CB 3.5Å; V265-A269 PolarHBondContact O-N 3.3Å; F266-A269 PolarHBondContact O-N 3.29Å; A269-I272 PolarHBondContact O-N 3.49Å; A269-A273 WeakPolarHBondContact O-CB 3.28Å; A269-A273 PolarHBondContact O-N 2.91Å
270V94.3Very high91Very high23 Ų2365.6 Ų65.614%0.13936%0.363CS..Hα-helixtrans-64.5-40.6177172.30000111.2C180 T183 I190 F266 I268 A273 R274C180-V270 HydrophobicContact CB-CG2 4.12Å; C180-V270 WeakPolarHBondContact SG-CG2 3.26Å; T183-V270 HydrophobicContact CG2-CG1 3.68Å; I190-V270 HydrophobicContact CD1-CB 4.48Å; I190-V270 HydrophobicContact CD1-CG1 4.1Å; F266-V270 WeakPolarHBondContact O-CB 3.46Å; F266-V270 VanDerWaalsContact O-CG2 3.32Å; F266-V270 WeakPolarHBondContact O-CG2 3.38Å; F266-V270 PolarHBondContact O-N 3.5Å; I268-V270 PolarHBondContact O-N 3.28Å; V270-A273 PolarHBondContact O-N 3.23Å; V270-R274 VanDerWaalsContact O-CB 3.25Å; V270-R274 WeakPolarHBondContact O-CB 3.45Å; V270-R274 PolarHBondContact O-N 3.28Å
271L92.3Very high90.1Very high59 Ų5969.5 Ų69.531%0.30938%0.381SS..Hα-helixtrans-64.4-45.8176-76.2-178.2000112.3I190 F267 I268 A273 R274 I275I190-L271 HydrophobicContact CD1-CD2 3.64Å; I190-L271 HydrophobicContact CD1-CG 3.76Å; F267-L271 HydrophobicContact CD1-CD1 3.89Å; F267-L271 HydrophobicContact CE1-CD1 3.3Å; F267-L271 HydrophobicContact CE1-CG 4.37Å; F267-L271 HydrophobicContact CE2-CD1 4.19Å; F267-L271 HydrophobicContact CZ-CD1 3.48Å; F267-L271 VanDerWaalsContact CZ-CD1 3.48Å; F267-L271 HydrophobicContact CZ-CG 4.39Å; F267-L271 WeakPolarHBondContact O-CB 3.39Å; F267-L271 WeakPolarHBondContact O-CG 3.49Å; F267-L271 PolarHBondContact O-N 2.92Å; I268-L271 PolarHBondContact O-N 3.36Å; L271-A273 VanDerWaalsContact C-N 3.35Å; L271-A273 PolarHBondContact O-N 3.45Å; L271-R274 PolarHBondContact O-N 3.11Å; L271-I275 WeakPolarHBondContact O-CB 3.5Å; L271-I275 VanDerWaalsContact O-CG1 3.27Å; L271-I275 WeakPolarHBondContact O-CG1 3.49Å; L271-I275 PolarHBondContact O-N 3.25Å
272I94.4Very high89.1Confident106 Ų10669.4 Ų69.454%0.54439%0.386SS..Hα-helixtrans-60.8-46.8176.7-69.4171.2000110.2I268 A269 R274 I275 K276I268-I272 HydrophobicContact CG2-CD1 3.6Å; I268-I272 HydrophobicContact CG2-CG1 4.22Å; I268-I272 VanDerWaalsContact O-CG1 3.31Å; I268-I272 WeakPolarHBondContact O-CG1 3.49Å; I268-I272 PolarHBondContact O-N 3.03Å; A269-I272 PolarHBondContact O-N 3.49Å; I272-R274 VanDerWaalsContact C-N 3.3Å; I272-R274 PolarHBondContact O-N 3.18Å; I272-I275 PolarHBondContact O-N 2.98Å; I272-K276 WeakPolarHBondContact O-CB 3.27Å; I272-K276 PolarHBondContact O-N 3.47Å
273A92.2Very high87.9Confident47 Ų4771.2 Ų71.239%0.38840%0.399SS..Hα-helixtrans-58.5-44.3176.900000111.2A269 V270 L271 K276 I277A269-A273 WeakPolarHBondContact O-CB 3.28Å; A269-A273 PolarHBondContact O-N 2.91Å; V270-A273 PolarHBondContact O-N 3.23Å; L271-A273 VanDerWaalsContact C-N 3.35Å; L271-A273 PolarHBondContact O-N 3.45Å; A273-K276 PolarHBondContact O-N 2.72Å; A273-I277 VanDerWaalsContact O-CG1 3.25Å; A273-I277 WeakPolarHBondContact O-CG1 3.49Å; A273-I277 PolarHBondContact O-N 3.02Å
274R89.3Confident86.6Confident42 Ų4279.5 Ų79.516%0.15844%0.438CS..Hα-helixtrans-65.2-45.3179.3-170.2171-171.7123.27112.6E187 V270 L271 I272 K276 I277 M278E187-R274 VanDerWaalsContact CB-CZ 3.48Å; E187-R274 VanDerWaalsContact CB-NH1 3.34Å; E187-R274 IonicContact OE2-CZ 2.81Å; E187-R274 IonicContact OE2-NH1 2.86Å; E187-R274 IonicContact OE2-NH2 3.9Å; E187-R274 PolarHBondContact OE2-NH2 3.19Å; V270-R274 VanDerWaalsContact O-CB 3.25Å; V270-R274 WeakPolarHBondContact O-CB 3.45Å; V270-R274 PolarHBondContact O-N 3.28Å; L271-R274 PolarHBondContact O-N 3.11Å; I272-R274 VanDerWaalsContact C-N 3.3Å; I272-R274 PolarHBondContact O-N 3.18Å; R274-K276 VanDerWaalsContact C-N 3.3Å; R274-K276 PolarHBondContact O-N 3.22Å; R274-I277 PolarHBondContact O-N 3.07Å; R274-M278 HydrophobicContact CG-SD 3.98Å; R274-M278 WeakPolarHBondContact O-CB 3.18Å; R274-M278 WeakPolarHBondContact O-CG 3.29Å; R274-M278 PolarHBondContact O-N 3.44Å
275I88.6Confident85.6Confident103 Ų10378.2 Ų78.253%0.52843%0.429SS..Hα-helixtrans-60.9-42.8176.7-69.7166000110.4L271 I272 M278 A279 G280L271-I275 WeakPolarHBondContact O-CB 3.5Å; L271-I275 VanDerWaalsContact O-CG1 3.27Å; L271-I275 WeakPolarHBondContact O-CG1 3.49Å; L271-I275 PolarHBondContact O-N 3.25Å; I272-I275 PolarHBondContact O-N 2.98Å; I275-M278 CarbonylContact O-C 3.21Å; I275-M278 PolarHBondContact O-N 3.37Å; I275-A279 PolarHBondContact O-N 2.89Å; I275-G280 PolarHBondContact O-N 3.18Å
276K90.4Very high84.5Confident175 Ų17577.3 Ų77.376%0.76142%0.424SS*.Hα-helixtrans-62-44.5177.7-173.7178.8179.6-179.10111.9I272 A273 R274 M278 A279I272-K276 WeakPolarHBondContact O-CB 3.27Å; I272-K276 PolarHBondContact O-N 3.47Å; A273-K276 PolarHBondContact O-N 2.72Å; R274-K276 VanDerWaalsContact C-N 3.3Å; R274-K276 PolarHBondContact O-N 3.22Å; K276-M278 VanDerWaalsContact C-N 3.35Å; K276-A279 PolarHBondContact O-N 2.77Å
277I88Confident83.5Confident59 Ų5980.6 Ų80.630%0.30344%0.44SS..Hα-helixtrans-65.8-39.3178.8-68.6167.1000111.1M56 Y65 A273 R274 A279M56-I277 HydrophobicContact CG-CG2 3.97Å; M56-I277 WeakPolarHBondContact CG-O 3.39Å; Y65-I277 HydrophobicContact CD1-CD1 3.97Å; Y65-I277 HydrophobicContact CD1-CG2 4.13Å; Y65-I277 HydrophobicContact CD2-CG2 3.84Å; Y65-I277 HydrophobicContact CE1-CD1 3.45Å; Y65-I277 VanDerWaalsContact CE1-CD1 3.45Å; Y65-I277 HydrophobicContact CE1-CG2 4.39Å; Y65-I277 HydrophobicContact CE2-CG2 4.11Å; Y65-I277 HydrophobicContact CG-CG2 3.82Å; A273-I277 VanDerWaalsContact O-CG1 3.25Å; A273-I277 WeakPolarHBondContact O-CG1 3.49Å; A273-I277 PolarHBondContact O-N 3.02Å; R274-I277 PolarHBondContact O-N 3.07Å; I277-A279 PolarHBondContact O-N 3.23Å
278M80.4Confident82.5Confident38 Ų3884.4 Ų84.419%0.18746%0.457CS..THydrogen-bonded Turntrans-78.96.1177.1-64.6178.366.200113.7K63 R274 I275 K276 G280 Q281K63-M278 HydrophobicContact CB-CE 4.3Å; R274-M278 HydrophobicContact CG-SD 3.98Å; R274-M278 WeakPolarHBondContact O-CB 3.18Å; R274-M278 WeakPolarHBondContact O-CG 3.29Å; R274-M278 PolarHBondContact O-N 3.44Å; I275-M278 CarbonylContact O-C 3.21Å; I275-M278 PolarHBondContact O-N 3.37Å; K276-M278 VanDerWaalsContact C-N 3.35Å; M278-G280 PolarHBondContact O-N 3.03Å; M278-Q281 PolarHBondContact O-N 2.64Å; M278-Q281 VanDerWaalsContact O-N 3.09Å
279A80.6Confident81.7Confident73 Ų7383.1 Ų83.160%0.60345%0.451SS*.THydrogen-bonded Turntrans5225.4-175.300000114.3I275 K276 I277 Q281I275-A279 PolarHBondContact O-N 2.89Å; K276-A279 PolarHBondContact O-N 2.77Å; I277-A279 PolarHBondContact O-N 3.23Å; A279-Q281 PolarHBondContact O-N 2.92Å; A279-Q281 VanDerWaalsContact O-N 3.14Å
280G78.4Confident81.3Confident58 Ų5880.6 Ų80.660%0.59843%0.43SS*.THydrogen-bonded Turntrans63.511-176.400000115.6I275 M278I275-G280 PolarHBondContact O-N 3.18Å; M278-G280 PolarHBondContact O-N 3.03Å
281Q71.5Confident81Confident117 Ų11780.4 Ų80.455%0.54743%0.429SS..PPolyproline II helixtrans-91.4139-179.8-67.8-178.8-1200111.2M278 A279M278-Q281 PolarHBondContact O-N 2.64Å; M278-Q281 VanDerWaalsContact O-N 3.09Å; A279-Q281 PolarHBondContact O-N 2.92Å; A279-Q281 VanDerWaalsContact O-N 3.14Å
282L70.6Confident81Confident137 Ų13777.7 Ų77.772%0.71742%0.415SS*.PPolyproline II helixtrans-79.7144.4167.5-68.9173.2000109.3H284L282-H284 PolarHBondContact O-N 2.65Å
283P67.5Low80.7Confident63 Ų6373.1 Ų73.141%0.40939%0.393SS..PPolyproline II helixtrans-61.3134.8174.225.8-33000110.2F285P283-F285 WeakPolarHBondContact O-CD1 3.39Å
284H67.4Low80.6Confident178 Ų17875.5 Ų75.582%0.82440%0.395SS*.PPolyproline II helixtrans-83.6120.8173.6-175.9-68.2000109.3L282L282-H284 PolarHBondContact O-N 2.65Å
285F73.6Confident80.7Confident42 Ų4274.1 Ų74.118%0.18439%0.393CS..  trans-122.2152.8174.747.6-96000110.1P283 D289 S293 H294 P391P283-F285 WeakPolarHBondContact O-CD1 3.39Å; F285-D289 HydrophobicContact CB-CB 4.14Å; F285-S293 WeakPolarHBondContact CE2-OG 3.38Å; F285-H294 PolarHBondContact O-CE1 3.45Å; F285-P391 HydrophobicContact CE2-CB 4.32Å; F285-P391 HydrophobicContact CZ-CB 3.78Å; F285-P391 HydrophobicContact CZ-CG 4.47Å
286T71.8Confident80.9Confident59 Ų5973.3 Ų73.336%0.36239%0.394SS..  trans-91.3169-177.667.60000111.7F288 D289 N290T286-F288 PolarHBondContact O-N 2.99Å; T286-F288 PolarHBondContact OG1-N 2.95Å; T286-D289 WeakPolarHBondContact CB-OD2 3.44Å; T286-D289 PolarHBondContact N-OD2 3.45Å; T286-D289 PolarHBondContact O-N 3.14Å; T286-D289 VanDerWaalsContact O-N 3.17Å; T286-D289 PolarHBondContact OG1-OD2 3.3Å; T286-N290 PolarHBondContact O-N 3.23Å
287E75.3Confident81.1Confident121 Ų12169.4 Ų69.457%0.56539%0.387SS*.THydrogen-bonded Turntrans-58.5-28.1171.4-175.3175.6-178.700112N290 P291 H294E287-N290 CarbonylContact O-C 3.58Å; E287-P291 WeakPolarHBondContact O-CA 3.36Å; E287-P291 VanDerWaalsContact O-CD 3.24Å; E287-P291 WeakPolarHBondContact O-CD 3.48Å; E287-P291 VanDerWaalsContact O-CG 3.23Å; E287-P291 WeakPolarHBondContact O-CG 3.34Å; E287-H294 WeakPolarHBondContact CA-ND1 3.27Å; E287-H294 HydrophobicContact CB-CB 4.21Å; E287-H294 HydrophobicContact CG-CB 4.02Å; E287-H294 PolarHBondContact N-CE1 3.3Å
288F74.4Confident81.4Confident138 Ų13870.2 Ų70.261%0.60539%0.392SS*.THydrogen-bonded Turntrans-69.2-32.9178-62.5-60.8000113.3T286 L327T286-F288 PolarHBondContact O-N 2.99Å; T286-F288 PolarHBondContact OG1-N 2.95Å; F288-L327 HydrophobicContact CB-CD2 4.1Å; F288-L327 HydrophobicContact CB-CG 4.35Å; F288-L327 HydrophobicContact CD1-CD2 3.29Å; F288-L327 HydrophobicContact CD1-CG 4.37Å; F288-L327 HydrophobicContact CE1-CD2 3.96Å; F288-L327 HydrophobicContact CG-CD2 4.04Å; F288-L327 PolarHBondContact O-N 2.86Å
289D78.1Confident82.2Confident55 Ų5569 Ų6929%0.29439%0.386SS..THydrogen-bonded Turntrans-74.4-49.2-179.7-55.5-54.7000110.1F285 T286 G393F285-D289 HydrophobicContact CB-CB 4.14Å; T286-D289 WeakPolarHBondContact CB-OD2 3.44Å; T286-D289 PolarHBondContact N-OD2 3.45Å; T286-D289 PolarHBondContact O-N 3.14Å; T286-D289 VanDerWaalsContact O-N 3.17Å; T286-D289 PolarHBondContact OG1-OD2 3.3Å; D289-G393 CarbonylContact C-O 3.39Å; D289-G393 WeakPolarHBondContact CB-O 3.2Å; D289-G393 VanDerWaalsContact O-O 3.07Å
290N88.4Confident82.8Confident0 Ų070 Ų700%037%0.374CS..  trans-138.389.7177.9-173.9-17.1000111.5T286 E287 A292 S293 H294 N387 V392 V395T286-N290 PolarHBondContact O-N 3.23Å; E287-N290 CarbonylContact O-C 3.58Å; N290-A292 PolarHBondContact O-N 3.01Å; N290-A292 WeakPolarHBondContact OD1-CB 3.45Å; N290-A292 PolarHBondContact OD1-N 2.95Å; N290-S293 PolarHBondContact O-N 3.4Å; N290-S293 PolarHBondContact O-OG 2.87Å; N290-S293 PolarHBondContact OD1-N 3.4Å; N290-S293 VanDerWaalsContact OD1-N 3.11Å; N290-H294 PolarHBondContact O-ND1 3.33Å; N290-N387 PolarHBondContact ND2-OD1 2.79Å; N290-N387 VanDerWaalsContact ND2-OD1 3.17Å; N290-V392 PolarHBondContact ND2-O 3.44Å; N290-V395 HydrophobicContact CB-CG2 4.42Å
291P88.7Confident83.6Confident19 Ų1976 Ų7612%0.12338%0.379CS..Hα-helixtrans-61.5-30.9179.9-21.829.6000113.2E287 S293 H294 A295 L332E287-P291 WeakPolarHBondContact O-CA 3.36Å; E287-P291 VanDerWaalsContact O-CD 3.24Å; E287-P291 WeakPolarHBondContact O-CD 3.48Å; E287-P291 VanDerWaalsContact O-CG 3.23Å; E287-P291 WeakPolarHBondContact O-CG 3.34Å; P291-S293 VanDerWaalsContact C-N 3.33Å; P291-S293 PolarHBondContact O-N 3.17Å; P291-H294 PolarHBondContact O-N 2.78Å; P291-A295 PolarHBondContact O-N 2.88Å; P291-L332 HydrophobicContact CB-CD2 4.28Å
292A91Very high84.7Confident1 Ų170.7 Ų70.71%0.00835%0.354CS..Hα-helixtrans-66.4-36.9-178.900000111.7N290 H294 A295 R300 T303 L332N290-A292 PolarHBondContact O-N 3.01Å; N290-A292 WeakPolarHBondContact OD1-CB 3.45Å; N290-A292 PolarHBondContact OD1-N 2.95Å; A292-H294 VanDerWaalsContact C-N 3.25Å; A292-H294 PolarHBondContact O-N 2.85Å; A292-A295 WeakPolarHBondContact O-CB 3.25Å; A292-A295 PolarHBondContact O-N 3.49Å; A292-R300 WeakPolarHBondContact O-CB 3.39Å; A292-R300 WeakPolarHBondContact O-CD 3.08Å; A292-R300 WeakPolarHBondContact O-CG 3.45Å; A292-T303 HydrophobicContact CB-CG2 3.74Å; A292-L332 HydrophobicContact CB-CD2 3.82Å
293S89.6Confident85.9Confident11 Ų1164.2 Ų64.28%0.07732%0.321CS..Hα-helixtrans-62.5-31.2-179.9680000113.7F285 N290 P291 R300F285-S293 WeakPolarHBondContact CE2-OG 3.38Å; N290-S293 PolarHBondContact O-N 3.4Å; N290-S293 PolarHBondContact O-OG 2.87Å; N290-S293 PolarHBondContact OD1-N 3.4Å; N290-S293 VanDerWaalsContact OD1-N 3.11Å; P291-S293 VanDerWaalsContact C-N 3.33Å; P291-S293 PolarHBondContact O-N 3.17Å; S293-R300 WeakPolarHBondContact O-CD 3.4Å; S293-R300 PolarHBondContact O-NH1 3.17Å; S293-R300 VanDerWaalsContact O-NH1 3.13Å
294H88.2Confident87.2Confident96 Ų9662.2 Ų62.244%0.44431%0.306SS..Hα-helixtrans-92-10.1179.4-67.378.7000113.4F285 E287 N290 P291 A292F285-H294 PolarHBondContact O-CE1 3.45Å; E287-H294 WeakPolarHBondContact CA-ND1 3.27Å; E287-H294 HydrophobicContact CB-CB 4.21Å; E287-H294 HydrophobicContact CG-CB 4.02Å; E287-H294 PolarHBondContact N-CE1 3.3Å; N290-H294 PolarHBondContact O-ND1 3.33Å; P291-H294 PolarHBondContact O-N 2.78Å; A292-H294 VanDerWaalsContact C-N 3.25Å; A292-H294 PolarHBondContact O-N 2.85Å
295A91.4Very high88.6Confident13 Ų1356.5 Ų56.511%0.10728%0.281CS..SBendtrans-72.4162.8179.800000112.7P291 A292 T299 R300 L332P291-A295 PolarHBondContact O-N 2.88Å; A292-A295 WeakPolarHBondContact O-CB 3.25Å; A292-A295 PolarHBondContact O-N 3.49Å; A295-T299 HydrophobicContact CB-CG2 3.87Å; A295-R300 HydrophobicContact CB-CB 4.44Å; A295-L332 HydrophobicContact CB-CD1 3.9Å
296P94.6Very high89.6Confident86 Ų8656 Ų5656%0.55828%0.278SS*.  trans-53.6150.8173.3-26.635.2000112.4L298 T299 R300P296-L298 VanDerWaalsContact C-N 3.27Å; P296-L298 PolarHBondContact O-N 3.43Å; P296-T299 PolarHBondContact O-N 2.96Å; P296-T299 VanDerWaalsContact O-N 3.13Å; P296-R300 WeakPolarHBondContact O-CB 3.23Å; P296-R300 PolarHBondContact O-N 3.25Å
297P93.9Very high90.7Very high93 Ų9353.3 Ų53.360%0.60426%0.262SS*.Hα-helixtrans-52.1-39-169.1-29.935.1000115.4R301P297-R301 WeakPolarHBondContact O-CB 3.31Å; P297-R301 PolarHBondContact O-N 2.91Å
298L95.3Very high91.7Very high77 Ų7748.7 Ų48.740%0.40324%0.242SC..Hα-helixtrans-68.1-55.7178.6179.862.3000111.7P296 R300 R301 L302 W336P296-L298 VanDerWaalsContact C-N 3.27Å; P296-L298 PolarHBondContact O-N 3.43Å; L298-R300 VanDerWaalsContact C-N 3.27Å; L298-R300 PolarHBondContact O-N 2.92Å; L298-R301 PolarHBondContact O-N 3Å; L298-R301 VanDerWaalsContact O-N 3.17Å; L298-L302 HydrophobicContact CD1-CD1 3.83Å; L298-L302 HydrophobicContact CD1-CG 4.02Å; L298-L302 HydrophobicContact CG-CD1 3.96Å; L298-L302 HydrophobicContact CG-CG 4.47Å; L298-L302 WeakPolarHBondContact O-CG 3.41Å; L298-L302 PolarHBondContact O-N 3.28Å; L298-W336 HydrophobicContact CD1-CZ2 3.74Å
299T95.9Very high92.8Very high13 Ų1343 Ų438%0.0822%0.218CC..Hα-helixtrans-54.7-45.1177.5-58.50000111.1A295 P296 T303 L332 I333A295-T299 HydrophobicContact CB-CG2 3.87Å; P296-T299 PolarHBondContact O-N 2.96Å; P296-T299 VanDerWaalsContact O-N 3.13Å; T299-T303 VanDerWaalsContact O-CB 3.22Å; T299-T303 WeakPolarHBondContact O-CB 3.15Å; T299-T303 PolarHBondContact O-N 2.96Å; T299-T303 PolarHBondContact O-OG1 3.14Å; T299-L332 HydrophobicContact CG2-CB 3.77Å; T299-L332 HydrophobicContact CG2-CD1 4.04Å; T299-L332 HydrophobicContact CG2-CG 4.47Å; T299-I333 WeakPolarHBondContact CG2-O 3.47Å
300R93.7Very high93.6Very high93 Ų9341.3 Ų41.335%0.35121%0.21SC..Hα-helixtrans-56.7-53.7175.2176.6166.668.2-164.50.9111.9A292 S293 A295 P296 L298 T303 H304A292-R300 WeakPolarHBondContact O-CB 3.39Å; A292-R300 WeakPolarHBondContact O-CD 3.08Å; A292-R300 WeakPolarHBondContact O-CG 3.45Å; S293-R300 WeakPolarHBondContact O-CD 3.4Å; S293-R300 PolarHBondContact O-NH1 3.17Å; S293-R300 VanDerWaalsContact O-NH1 3.13Å; A295-R300 HydrophobicContact CB-CB 4.44Å; P296-R300 WeakPolarHBondContact O-CB 3.23Å; P296-R300 PolarHBondContact O-N 3.25Å; L298-R300 VanDerWaalsContact C-N 3.27Å; L298-R300 PolarHBondContact O-N 2.92Å; R300-T303 PolarHBondContact O-N 3.15Å; R300-H304 WeakPolarHBondContact O-CB 3.45Å; R300-H304 PolarHBondContact O-CD2 2.79Å; R300-H304 VanDerWaalsContact O-CG 3.3Å; R300-H304 PolarHBondContact O-N 3.23Å
301R94Very high94Very high183 Ų18341.7 Ų41.769%0.69121%0.212SC*.Hα-helixtrans-66.4-44.5-175.4-175.6160.8-74.6179.7-2.7112.2P297 L298 T303 H304 L305P297-R301 WeakPolarHBondContact O-CB 3.31Å; P297-R301 PolarHBondContact O-N 2.91Å; L298-R301 PolarHBondContact O-N 3Å; L298-R301 VanDerWaalsContact O-N 3.17Å; R301-T303 VanDerWaalsContact C-N 3.32Å; R301-T303 PolarHBondContact O-N 2.97Å; R301-H304 PolarHBondContact O-N 2.89Å; R301-L305 HydrophobicContact CG-CD1 4.22Å; R301-L305 VanDerWaalsContact O-CG 3.27Å; R301-L305 WeakPolarHBondContact O-CG 3.44Å; R301-L305 PolarHBondContact O-N 3.46Å
302L96.3Very high94.4Very high6 Ų642 Ų423%0.03121%0.212CC..Hα-helixtrans-62-42.5176.2-67177.1000111.3L298 L305 Y306 I333 G335 W336L298-L302 HydrophobicContact CD1-CD1 3.83Å; L298-L302 HydrophobicContact CD1-CG 4.02Å; L298-L302 HydrophobicContact CG-CD1 3.96Å; L298-L302 HydrophobicContact CG-CG 4.47Å; L298-L302 WeakPolarHBondContact O-CG 3.41Å; L298-L302 PolarHBondContact O-N 3.28Å; L302-L305 PolarHBondContact O-N 3.45Å; L302-Y306 WeakPolarHBondContact O-CB 3.2Å; L302-Y306 PolarHBondContact O-N 2.91Å; L302-I333 HydrophobicContact CB-CB 4.01Å; L302-I333 HydrophobicContact CB-CG2 3.67Å; L302-I333 HydrophobicContact CD1-CG2 3.93Å; L302-I333 HydrophobicContact CG-CG2 4.43Å; L302-G335 WeakPolarHBondContact CD1-O 3.5Å; L302-W336 HydrophobicContact CD1-CD2 4.44Å; L302-W336 HydrophobicContact CD2-CD2 4.31Å; L302-W336 HydrophobicContact CD2-CE3 3.82Å; L302-W336 HydrophobicContact CD2-CH2 4.05Å; L302-W336 HydrophobicContact CD2-CZ3 3.68Å
303T95.6Very high94.6Very high2 Ų243.5 Ų43.51%0.01223%0.228CC..Hα-helixtrans-65.3-46.5177.9-54.70000111.6A292 T299 R300 R301 L305 Y306 L307 L332 I333A292-T303 HydrophobicContact CB-CG2 3.74Å; T299-T303 VanDerWaalsContact O-CB 3.22Å; T299-T303 WeakPolarHBondContact O-CB 3.15Å; T299-T303 PolarHBondContact O-N 2.96Å; T299-T303 PolarHBondContact O-OG1 3.14Å; R300-T303 PolarHBondContact O-N 3.15Å; R301-T303 VanDerWaalsContact C-N 3.32Å; R301-T303 PolarHBondContact O-N 2.97Å; T303-L305 VanDerWaalsContact C-N 3.32Å; T303-L305 PolarHBondContact O-N 2.99Å; T303-Y306 WeakPolarHBondContact O-CB 3.31Å; T303-Y306 PolarHBondContact O-N 3.45Å; T303-Y306 VanDerWaalsContact O-N 3.1Å; T303-L307 WeakPolarHBondContact O-CG 3.36Å; T303-L307 PolarHBondContact O-N 2.78Å; T303-L307 VanDerWaalsContact O-N 3.16Å; T303-L332 HydrophobicContact CG2-CD2 3.84Å; T303-I333 PolarHBondContact OG1-N 2.81Å
304H94.7Very high94.9Very high21 Ų2143.5 Ų43.510%0.09723%0.227CC..Hα-helixtrans-59.2-41.8177.1-71.9-172.5000111.9R300 R301 Y306 L307 N387R300-H304 WeakPolarHBondContact O-CB 3.45Å; R300-H304 PolarHBondContact O-CD2 2.79Å; R300-H304 VanDerWaalsContact O-CG 3.3Å; R300-H304 PolarHBondContact O-N 3.23Å; R301-H304 PolarHBondContact O-N 2.89Å; H304-Y306 VanDerWaalsContact C-N 3.31Å; H304-Y306 PolarHBondContact O-N 3.31Å; H304-L307 WeakPolarHBondContact O-CB 3.42Å; H304-L307 PolarHBondContact O-N 3.44Å; H304-N387 HydrophobicContact CB-CB 4.32Å; H304-N387 PolarHBondContact ND1-O 3.47Å
305L95.3Very high95.3Very high58 Ų5839 Ų3930%0.30421%0.207SC..Hα-helixtrans-64.5-36.9175.8-69171.2000112R301 L302 T303 L307 V308 P309 T344 F348R301-L305 HydrophobicContact CG-CD1 4.22Å; R301-L305 VanDerWaalsContact O-CG 3.27Å; R301-L305 WeakPolarHBondContact O-CG 3.44Å; R301-L305 PolarHBondContact O-N 3.46Å; L302-L305 PolarHBondContact O-N 3.45Å; T303-L305 VanDerWaalsContact C-N 3.32Å; T303-L305 PolarHBondContact O-N 2.99Å; L305-L307 PolarHBondContact O-N 3.48Å; L305-V308 WeakPolarHBondContact O-CB 3.49Å; L305-V308 PolarHBondContact O-N 2.83Å; L305-P309 WeakPolarHBondContact O-CD 3.49Å; L305-T344 HydrophobicContact CB-CG2 3.71Å; L305-F348 HydrophobicContact CB-CE2 4.26Å; L305-F348 HydrophobicContact CD2-CE2 3.85Å; L305-F348 HydrophobicContact CD2-CZ 3.66Å
306Y96.3Very high95.6Very high31 Ų3144 Ų4412%0.12223%0.23CC..Hα-helixtrans-67.8-17175.2175.6-110.3000114.1L302 T303 H304 V308 P309 V310 I333 R340 L343 T344L302-Y306 WeakPolarHBondContact O-CB 3.2Å; L302-Y306 PolarHBondContact O-N 2.91Å; T303-Y306 WeakPolarHBondContact O-CB 3.31Å; T303-Y306 PolarHBondContact O-N 3.45Å; T303-Y306 VanDerWaalsContact O-N 3.1Å; H304-Y306 VanDerWaalsContact C-N 3.31Å; H304-Y306 PolarHBondContact O-N 3.31Å; Y306-V308 PolarHBondContact O-N 3.39Å; Y306-P309 HydrophobicContact CD2-CG 3.8Å; Y306-P309 HydrophobicContact CE2-CG 4.27Å; Y306-P309 WeakPolarHBondContact O-CD 3.2Å; Y306-P309 WeakPolarHBondContact O-CG 3.4Å; Y306-V310 HydrophobicContact CD1-CG2 3.94Å; Y306-V310 HydrophobicContact CE1-CG2 3.47Å; Y306-V310 VanDerWaalsContact CE1-CG2 3.47Å; Y306-V310 HydrophobicContact CE2-CG2 4.14Å; Y306-V310 HydrophobicContact CG-CG2 4.47Å; Y306-V310 WeakPolarHBondContact O-CG2 3.44Å; Y306-V310 PolarHBondContact O-N 3.35Å; Y306-I333 HydrophobicContact CD1-CD1 4.05Å; Y306-I333 HydrophobicContact CD1-CG1 4.46Å; Y306-I333 HydrophobicContact CD2-CD1 4.06Å; Y306-I333 HydrophobicContact CG-CD1 3.55Å; Y306-I333 HydrophobicContact CG-CG1 4.43Å; Y306-R340 HydrophobicContact CD2-CB 4.01Å; Y306-R340 HydrophobicContact CE2-CB 3.71Å; Y306-R340 HydrophobicContact CE2-CG 4.24Å; Y306-L343 HydrophobicContact CE2-CB 4.38Å; Y306-L343 HydrophobicContact CE2-CD1 4.11Å; Y306-T344 WeakPolarHBondContact CA-OG1 3.49Å
307L95.1Very high95.6Very high3 Ų346.8 Ų46.82%0.01623%0.234CC..Hα-helixtrans-65.2-26.1172.9-57.1-179.1000112T303 H304 L305 V310 N311 L330 V395 V396T303-L307 WeakPolarHBondContact O-CG 3.36Å; T303-L307 PolarHBondContact O-N 2.78Å; T303-L307 VanDerWaalsContact O-N 3.16Å; H304-L307 WeakPolarHBondContact O-CB 3.42Å; H304-L307 PolarHBondContact O-N 3.44Å; L305-L307 PolarHBondContact O-N 3.48Å; L307-V310 PolarHBondContact O-N 2.93Å; L307-N311 WeakPolarHBondContact O-CB 3.34Å; L307-N311 PolarHBondContact O-N 3.41Å; L307-N311 PolarHBondContact O-ND2 3.27Å; L307-L330 HydrophobicContact CD2-CD1 3.74Å; L307-V395 HydrophobicContact CD1-CG1 3.95Å; L307-V395 HydrophobicContact CD2-CG1 3.39Å; L307-V395 HydrophobicContact CG-CG1 4.31Å; L307-V396 HydrophobicContact CD2-CG2 4.38Å
308V95.7Very high95.7Very high24 Ų2442.6 Ų42.615%0.14521%0.207CC..Hα-helixtrans-62.1-57.3177.2-179.20000112.1L305 Y306 V310 N311 L312 A347 F348 I351L305-V308 WeakPolarHBondContact O-CB 3.49Å; L305-V308 PolarHBondContact O-N 2.83Å; Y306-V308 PolarHBondContact O-N 3.39Å; V308-V310 VanDerWaalsContact C-N 3.27Å; V308-V310 PolarHBondContact O-N 3.43Å; V308-N311 PolarHBondContact O-N 3.16Å; V308-L312 HydrophobicContact CG1-CD1 4.16Å; V308-L312 WeakPolarHBondContact O-CG 3.36Å; V308-L312 PolarHBondContact O-N 3.46Å; V308-A347 HydrophobicContact CG1-CB 4.36Å; V308-F348 HydrophobicContact CG2-CE2 4.42Å; V308-F348 HydrophobicContact CG2-CZ 4.07Å; V308-I351 HydrophobicContact CG1-CD1 4.16Å
309P96.5Very high95.4Very high18 Ų1840.5 Ų40.512%0.11720%0.198CC..Hα-helixtrans-62.7-30.317624.1-35.1000113.3L305 Y306 G313 L343 A347L305-P309 WeakPolarHBondContact O-CD 3.49Å; Y306-P309 HydrophobicContact CD2-CG 3.8Å; Y306-P309 HydrophobicContact CE2-CG 4.27Å; Y306-P309 WeakPolarHBondContact O-CD 3.2Å; Y306-P309 WeakPolarHBondContact O-CG 3.4Å; P309-G313 PolarHBondContact O-N 3.26Å; P309-L343 HydrophobicContact CB-CB 4.03Å; P309-L343 HydrophobicContact CG-CB 4.23Å; P309-A347 HydrophobicContact CB-CB 3.88Å; P309-A347 HydrophobicContact CG-CB 4.42Å
310V95.6Very high95.1Very high19 Ų1944.6 Ų44.612%0.11522%0.22CC..Hα-helixtrans-62.1-49.5174.5172.80000110.7Y306 L307 V308 G313 L314 L330 V396Y306-V310 HydrophobicContact CD1-CG2 3.94Å; Y306-V310 HydrophobicContact CE1-CG2 3.47Å; Y306-V310 VanDerWaalsContact CE1-CG2 3.47Å; Y306-V310 HydrophobicContact CE2-CG2 4.14Å; Y306-V310 HydrophobicContact CG-CG2 4.47Å; Y306-V310 WeakPolarHBondContact O-CG2 3.44Å; Y306-V310 PolarHBondContact O-N 3.35Å; L307-V310 PolarHBondContact O-N 2.93Å; V308-V310 VanDerWaalsContact C-N 3.27Å; V308-V310 PolarHBondContact O-N 3.43Å; V310-G313 WeakPolarHBondContact O-CA 3.26Å; V310-G313 PolarHBondContact O-N 2.87Å; V310-G313 VanDerWaalsContact O-N 3.16Å; V310-L314 PolarHBondContact O-N 3.01Å; V310-L330 HydrophobicContact CG1-CD1 4.17Å; V310-L330 HydrophobicContact CG2-CD1 4.35Å; V310-V396 HydrophobicContact CG1-CG2 3.97Å
311N96.3Very high95.1Very high9 Ų940.4 Ų40.45%0.04820%0.204CC..Hα-helixtrans-65.7-39.7178.7-80.4-80000112.4L307 V308 G313 L314 L315 F382 L401L307-N311 WeakPolarHBondContact O-CB 3.34Å; L307-N311 PolarHBondContact O-N 3.41Å; L307-N311 PolarHBondContact O-ND2 3.27Å; V308-N311 PolarHBondContact O-N 3.16Å; N311-G313 VanDerWaalsContact C-N 3.3Å; N311-G313 PolarHBondContact O-N 2.98Å; N311-L314 PolarHBondContact O-N 3.16Å; N311-L315 PolarHBondContact O-N 3.24Å; N311-F382 HydrophobicContact CB-CE2 4.24Å; N311-F382 HydrophobicContact CB-CZ 4.07Å; N311-L401 HydrophobicContact CB-CD1 4.26Å; N311-L401 HydrophobicContact CB-CD2 3.89Å; N311-L401 WeakPolarHBondContact OD1-CD2 3.24Å
312L96.6Very high95.1Very high24 Ų2431.7 Ų31.713%0.12617%0.171CC..Hα-helixtrans-63.2-37.7171.8-71.8173.5000111.8V308 L314 L315 I316 A347 L378V308-L312 HydrophobicContact CG1-CD1 4.16Å; V308-L312 WeakPolarHBondContact O-CG 3.36Å; V308-L312 PolarHBondContact O-N 3.46Å; L312-L314 VanDerWaalsContact C-N 3.32Å; L312-L314 PolarHBondContact O-N 3.42Å; L312-L315 HydrophobicContact CD2-CD1 4.48Å; L312-L315 WeakPolarHBondContact O-CB 3.43Å; L312-L315 PolarHBondContact O-N 3.47Å; L312-L315 VanDerWaalsContact O-N 3.16Å; L312-I316 VanDerWaalsContact O-CG1 3.32Å; L312-I316 WeakPolarHBondContact O-CG1 3.47Å; L312-I316 PolarHBondContact O-N 3.11Å; L312-A347 HydrophobicContact CD1-CB 3.86Å; L312-L378 HydrophobicContact CD2-CD2 4.42Å
313G96.1Very high94.7Very high33 Ų3331.8 Ų31.834%0.3417%0.173SC..Hα-helixtrans-60.1-40.5174.400000112.5P309 V310 N311 L315 I316 F317P309-G313 PolarHBondContact O-N 3.26Å; V310-G313 WeakPolarHBondContact O-CA 3.26Å; V310-G313 PolarHBondContact O-N 2.87Å; V310-G313 VanDerWaalsContact O-N 3.16Å; N311-G313 VanDerWaalsContact C-N 3.3Å; N311-G313 PolarHBondContact O-N 2.98Å; G313-L315 VanDerWaalsContact C-N 3.31Å; G313-L315 PolarHBondContact O-N 3.5Å; G313-I316 PolarHBondContact O-N 3.36Å; G313-F317 PolarHBondContact O-N 3.21Å
314L96.2Very high94.3Very high12 Ų1232.5 Ų32.56%0.06318%0.177CC..Hα-helixtrans-65.4-31.6174.6-66.3179.4000113V310 N311 L312 P318 L321 W325 V396 L401V310-L314 PolarHBondContact O-N 3.01Å; N311-L314 PolarHBondContact O-N 3.16Å; L312-L314 VanDerWaalsContact C-N 3.32Å; L312-L314 PolarHBondContact O-N 3.42Å; L314-P318 WeakPolarHBondContact O-CA 3.46Å; L314-P318 VanDerWaalsContact O-CB 3.31Å; L314-P318 WeakPolarHBondContact O-CB 3.19Å; L314-L321 HydrophobicContact CD2-CD2 4.27Å; L314-W325 HydrophobicContact CD1-CZ2 4.32Å; L314-W325 HydrophobicContact CD2-CZ2 4.3Å; L314-V396 HydrophobicContact CD1-CG1 3.66Å; L314-L401 HydrophobicContact CB-CD1 4Å; L314-L401 HydrophobicContact CD1-CD1 4.18Å
315L97.2Very high94.1Very high2 Ų232.5 Ų32.51%0.0118%0.176CC..Hα-helixtrans-73.6-40.4173.2-66.9173.6000112H125 V127 N311 L312 G313 L378 L401 F408H125-L315 PolarHBondContact NE2-O 3.47Å; V127-L315 HydrophobicContact CG1-CD2 4.16Å; N311-L315 PolarHBondContact O-N 3.24Å; L312-L315 HydrophobicContact CD2-CD1 4.48Å; L312-L315 WeakPolarHBondContact O-CB 3.43Å; L312-L315 PolarHBondContact O-N 3.47Å; L312-L315 VanDerWaalsContact O-N 3.16Å; G313-L315 VanDerWaalsContact C-N 3.31Å; G313-L315 PolarHBondContact O-N 3.5Å; L315-L378 HydrophobicContact CD1-CD1 4.11Å; L315-L401 HydrophobicContact CD2-CB 4.25Å; L315-L401 HydrophobicContact CG-CD1 4.44Å; L315-F408 HydrophobicContact CB-CD1 4.09Å; L315-F408 HydrophobicContact CB-CD2 4.07Å; L315-F408 HydrophobicContact CB-CE1 4.1Å; L315-F408 HydrophobicContact CB-CE2 4.08Å; L315-F408 HydrophobicContact CB-CG 4.07Å; L315-F408 HydrophobicContact CB-CZ 4.1Å; L315-F408 HydrophobicContact CD1-CB 4.05Å; L315-F408 HydrophobicContact CD1-CD2 4.37Å; L315-F408 HydrophobicContact CD1-CG 4.16Å; L315-F408 HydrophobicContact CD2-CD1 4.48Å; L315-F408 WeakPolarHBondContact O-CE1 3.27Å; L315-F408 WeakPolarHBondContact O-CZ 3.37Å
316I95.9Very high93.5Very high116 Ų11630.4 Ų30.460%0.59517%0.165SC*.Hα-helixtrans-74.3-42.3-177.7-66.1165.2000111.4L312 G313 F408L312-I316 VanDerWaalsContact O-CG1 3.32Å; L312-I316 WeakPolarHBondContact O-CG1 3.47Å; L312-I316 PolarHBondContact O-N 3.11Å; G313-I316 PolarHBondContact O-N 3.36Å; I316-F408 HydrophobicContact CG1-CE2 3.97Å; I316-F408 HydrophobicContact CG1-CZ 4.27Å
317F95.5Very high92.6Very high145 Ų14531.8 Ų31.864%0.63618%0.175SC*.  trans-139.480.6-175.1-170.6-117.7000111.6G313 S319G313-F317 PolarHBondContact O-N 3.21Å; F317-S319 WeakPolarHBondContact CD1-OG 3.42Å; F317-S319 VanDerWaalsContact CE1-CB 3.47Å; F317-S319 WeakPolarHBondContact CE1-OG 3.41Å; F317-S319 PolarHBondContact O-N 3.38Å
318P95.6Very high91.5Very high6 Ų633.5 Ų33.54%0.03919%0.193CC..THydrogen-bonded Turntrans-77.561-174.631.2-35.7000112.9P126 L314 L321 F465 K468P126-P318 HydrophobicContact CB-CB 4.03Å; P126-P318 HydrophobicContact CB-CG 4.12Å; P126-P318 HydrophobicContact CG-CB 4.26Å; P126-P318 HydrophobicContact CG-CG 3.77Å; L314-P318 WeakPolarHBondContact O-CA 3.46Å; L314-P318 VanDerWaalsContact O-CB 3.31Å; L314-P318 WeakPolarHBondContact O-CB 3.19Å; P318-L321 HydrophobicContact CB-CD1 4.31Å; P318-L321 HydrophobicContact CB-CD2 4.23Å; P318-L321 HydrophobicContact CB-CG 4.45Å; P318-F465 HydrophobicContact CG-CE1 4.04Å; P318-F465 HydrophobicContact CG-CZ 4.01Å; P318-K468 WeakPolarHBondContact O-CE 3.39Å
319S88.7Confident91Very high32 Ų3233.5 Ų33.522%0.22419%0.194CC..THydrogen-bonded Turntrans-98.1-40.9-17859.80000113.5F317 L321 K468F317-S319 WeakPolarHBondContact CD1-OG 3.42Å; F317-S319 VanDerWaalsContact CE1-CB 3.47Å; F317-S319 WeakPolarHBondContact CE1-OG 3.41Å; F317-S319 PolarHBondContact O-N 3.38Å; S319-L321 PolarHBondContact O-N 2.87Å; S319-K468 PolarHBondContact O-NZ 3.5Å
320N89.6Confident90.7Very high99 Ų9934 Ų3453%0.52920%0.196SC..SBendtrans-10155.9-176.6-68.4-15.4000111.7W325 V489N320-W325 WeakPolarHBondContact O-CZ2 3.49Å; N320-V489 HydrophobicContact CB-CG1 4.04Å; N320-V489 HydrophobicContact CB-CG2 4.42Å
321L94.6Very high90.4Very high6 Ų640.6 Ų40.63%0.03122%0.223CC..  trans-78.3132.8176.6-64.7-179.1000109.8P126 V127 L314 P318 S319 E398 R472 V489P126-L321 HydrophobicContact CB-CD1 3.9Å; P126-L321 WeakPolarHBondContact O-CD1 3.48Å; V127-L321 HydrophobicContact CB-CD2 4.48Å; V127-L321 HydrophobicContact CG2-CD2 4.16Å; L314-L321 HydrophobicContact CD2-CD2 4.27Å; P318-L321 HydrophobicContact CB-CD1 4.31Å; P318-L321 HydrophobicContact CB-CD2 4.23Å; P318-L321 HydrophobicContact CB-CG 4.45Å; S319-L321 PolarHBondContact O-N 2.87Å; L321-E398 WeakPolarHBondContact CA-OE1 3.27Å; L321-E398 WeakPolarHBondContact CB-OE1 3.36Å; L321-E398 HydrophobicContact CD2-CG 4.02Å; L321-R472 HydrophobicContact CD1-CG 4.29Å; L321-V489 WeakPolarHBondContact O-CG2 2.93Å
322C93.1Very high90.3Very high0 Ų042.1 Ų42.10%023%0.231CC..  trans-138.7132.4-178.5-172.40000110.6D324 W325 E398 V489 N490 M496C322-D324 VanDerWaalsContact C-N 3.25Å; C322-D324 PolarHBondContact O-N 3.03Å; C322-D324 PolarHBondContact SG-O 3.38Å; C322-W325 HydrophobicContact CB-CD2 4.44Å; C322-W325 HydrophobicContact CB-CZ2 3.96Å; C322-W325 PolarHBondContact O-NE1 3.44Å; C322-E398 VanDerWaalsContact C-OE1 3.27Å; C322-E398 WeakPolarHBondContact CA-OE1 3.23Å; C322-E398 PolarHBondContact N-OE1 3.31Å; C322-V489 HydrophobicContact CB-CB 4.1Å; C322-V489 HydrophobicContact CB-CG1 4.04Å; C322-V489 HydrophobicContact CB-CG2 4.44Å; C322-N490 PolarHBondContact SG-ND2 3.15Å; C322-M496 WeakPolarHBondContact SG-CE 3.37Å
323A89Confident90.2Very high8 Ų841 Ų417%0.06623%0.225CC..SBendtrans-70.5-19-179.400000113.7W476 L482A323-W476 HydrophobicContact CB-CH2 4.45Å; A323-W476 HydrophobicContact CB-CZ2 4.26Å; A323-L482 HydrophobicContact CB-CD1 3.83Å; A323-L482 HydrophobicContact CB-CD2 4.41Å; A323-L482 HydrophobicContact CB-CG 4.16Å
324D87.6Confident90.1Very high16 Ų1645.8 Ų45.89%0.08624%0.238CC..  trans-141.9124.2179.8-173.4-7.9000111F25 C322 T326 K495 M496F25-D324 HydrophobicContact CZ-CB 4.36Å; C322-D324 VanDerWaalsContact C-N 3.25Å; C322-D324 PolarHBondContact O-N 3.03Å; C322-D324 PolarHBondContact SG-O 3.38Å; D324-T326 VanDerWaalsContact OD1-CB 3.26Å; D324-T326 WeakPolarHBondContact OD1-CB 3.28Å; D324-T326 WeakPolarHBondContact OD1-CG2 3.28Å; D324-T326 PolarHBondContact OD1-N 3.49Å; D324-T326 PolarHBondContact OD1-OG1 2.9Å; D324-T326 PolarHBondContact OD2-OG1 3.03Å; D324-T326 VanDerWaalsContact OD2-OG1 3.12Å; D324-K495 WeakPolarHBondContact OD2-CE 3.35Å; D324-K495 IonicContact OD2-NZ 2.76Å; D324-K495 PolarHBondContact OD2-NZ 3.27Å; D324-M496 HydrophobicContact CB-CE 3.91Å; D324-M496 WeakPolarHBondContact O-CE 3.2Å
325W89.2Confident90Very high21 Ų2146 Ų468%0.0824%0.243CC..  trans-110.820.2-179.6-67.381.9000113.4L314 N320 C322 L330 V396 V489L314-W325 HydrophobicContact CD1-CZ2 4.32Å; L314-W325 HydrophobicContact CD2-CZ2 4.3Å; N320-W325 WeakPolarHBondContact O-CZ2 3.49Å; C322-W325 HydrophobicContact CB-CD2 4.44Å; C322-W325 HydrophobicContact CB-CZ2 3.96Å; C322-W325 PolarHBondContact O-NE1 3.44Å; W325-L330 HydrophobicContact CE3-CD2 4.33Å; W325-L330 HydrophobicContact CE3-CG 4.31Å; W325-L330 HydrophobicContact CZ3-CD2 4.04Å; W325-V396 HydrophobicContact CB-CB 3.99Å; W325-V396 WeakPolarHBondContact CB-O 3.25Å; W325-V396 VanDerWaalsContact CD1-O 3.32Å; W325-V396 HydrophobicContact CD2-CB 3.88Å; W325-V396 HydrophobicContact CD2-CG1 4.05Å; W325-V396 HydrophobicContact CE3-CB 4.38Å; W325-V396 HydrophobicContact CG-CB 3.7Å; W325-V396 HydrophobicContact CG-CG1 4.12Å; W325-V489 HydrophobicContact CH2-CG1 4.29Å
326T84.1Confident89.9Confident14 Ų1454.9 Ų54.99%0.08628%0.277CS..  trans-71.3-178.7178.6540000113D324 G328 S329 N493 K495D324-T326 VanDerWaalsContact OD1-CB 3.26Å; D324-T326 WeakPolarHBondContact OD1-CB 3.28Å; D324-T326 WeakPolarHBondContact OD1-CG2 3.28Å; D324-T326 PolarHBondContact OD1-N 3.49Å; D324-T326 PolarHBondContact OD1-OG1 2.9Å; D324-T326 PolarHBondContact OD2-OG1 3.03Å; D324-T326 VanDerWaalsContact OD2-OG1 3.12Å; T326-G328 PolarHBondContact O-N 3.47Å; T326-S329 WeakPolarHBondContact O-CB 3.4Å; T326-S329 PolarHBondContact O-N 2.97Å; T326-S329 PolarHBondContact O-OG 3.42Å; T326-N493 PolarHBondContact O-ND2 2.89Å; T326-K495 PolarHBondContact OG1-NZ 3.04Å
327L75.8Confident89.9Confident61 Ų6154.3 Ų54.332%0.31929%0.289SS..THydrogen-bonded Turntrans56.143168.1-81.3160000115.2F288 S329 N493 K495F288-L327 HydrophobicContact CB-CD2 4.1Å; F288-L327 HydrophobicContact CB-CG 4.35Å; F288-L327 HydrophobicContact CD1-CD2 3.29Å; F288-L327 HydrophobicContact CD1-CG 4.37Å; F288-L327 HydrophobicContact CE1-CD2 3.96Å; F288-L327 HydrophobicContact CG-CD2 4.04Å; F288-L327 PolarHBondContact O-N 2.86Å; L327-S329 PolarHBondContact O-N 3.22Å; L327-N493 WeakPolarHBondContact CB-OD1 3.37Å; L327-N493 WeakPolarHBondContact CD1-OD1 3.24Å; L327-K495 HydrophobicContact CD1-CB 3.24Å; L327-K495 HydrophobicContact CD1-CD 3.65Å; L327-K495 HydrophobicContact CD1-CG 4.05Å
328G73.3Confident89.9Confident39 Ų3948.5 Ų48.540%0.40227%0.265SS..THydrogen-bonded Turntrans68.623.3174.700000113.9T326 L330T326-G328 PolarHBondContact O-N 3.47Å; G328-L330 CarbonylContact O-C 3.39Å; G328-L330 PolarHBondContact O-N 2.94Å
329S85.2Confident90Very high23 Ų2352.8 Ų52.816%0.16129%0.292CS..SBendtrans-48.2-30.5169.6-64.70000111.9T326 L327 N490T326-S329 WeakPolarHBondContact O-CB 3.4Å; T326-S329 PolarHBondContact O-N 2.97Å; T326-S329 PolarHBondContact O-OG 3.42Å; L327-S329 PolarHBondContact O-N 3.22Å; S329-N490 PolarHBondContact OG-ND2 2.88Å
330L89Confident90.4Very high30 Ų3054 Ų5416%0.15729%0.292CS..SBendtrans-108.4122.8164.2-60.5177.2000110.3L307 V310 W325 G328 L332 V395 V396L307-L330 HydrophobicContact CD2-CD1 3.74Å; V310-L330 HydrophobicContact CG1-CD1 4.17Å; V310-L330 HydrophobicContact CG2-CD1 4.35Å; W325-L330 HydrophobicContact CE3-CD2 4.33Å; W325-L330 HydrophobicContact CE3-CG 4.31Å; W325-L330 HydrophobicContact CZ3-CD2 4.04Å; G328-L330 CarbonylContact O-C 3.39Å; G328-L330 PolarHBondContact O-N 2.94Å; L330-L332 PolarHBondContact O-N 3.48Å; L330-V395 HydrophobicContact CD1-CG1 3.91Å; L330-V396 HydrophobicContact CD1-CG2 3.82Å
331K90.4Very high90.8Very high156 Ų15650 Ų5068%0.67827%0.271SS*.  trans-62.2134171.4-68.7-176.3178-1790109.8R340K331-R340 PolarHBondContact O-NH1 3.39Å
332L93.3Very high90.9Very high41 Ų4154.6 Ų54.622%0.21529%0.294CS..  trans-61.5150175.4-57.3-177.3000111.4P291 A292 A295 T299 T303 L330 Q334 R340P291-L332 HydrophobicContact CB-CD2 4.28Å; A292-L332 HydrophobicContact CB-CD2 3.82Å; A295-L332 HydrophobicContact CB-CD1 3.9Å; T299-L332 HydrophobicContact CG2-CB 3.77Å; T299-L332 HydrophobicContact CG2-CD1 4.04Å; T299-L332 HydrophobicContact CG2-CG 4.47Å; T303-L332 HydrophobicContact CG2-CD2 3.84Å; L330-L332 PolarHBondContact O-N 3.48Å; L332-Q334 PolarHBondContact O-N 2.77Å; L332-R340 PolarHBondContact O-NH2 3.37Å
333I95.7Very high91.1Very high0 Ų058.5 Ų58.50%032%0.315CS..  trans-82.5113.6174.8-69.5-171.3000109.8T299 L302 T303 Y306 G335 D338 R340T299-I333 WeakPolarHBondContact CG2-O 3.47Å; L302-I333 HydrophobicContact CB-CB 4.01Å; L302-I333 HydrophobicContact CB-CG2 3.67Å; L302-I333 HydrophobicContact CD1-CG2 3.93Å; L302-I333 HydrophobicContact CG-CG2 4.43Å; T303-I333 PolarHBondContact OG1-N 2.81Å; Y306-I333 HydrophobicContact CD1-CD1 4.05Å; Y306-I333 HydrophobicContact CD1-CG1 4.46Å; Y306-I333 HydrophobicContact CD2-CD1 4.06Å; Y306-I333 HydrophobicContact CG-CD1 3.55Å; Y306-I333 HydrophobicContact CG-CG1 4.43Å; I333-G335 WeakPolarHBondContact CG2-O 3.37Å; I333-G335 PolarHBondContact O-N 3.17Å; I333-G335 VanDerWaalsContact O-N 3.16Å; I333-D338 HydrophobicContact CG2-CB 3.68Å; I333-R340 HydrophobicContact CD1-CB 4.04Å
334Q92.9Very high91.5Very high135 Ų13558.7 Ų58.763%0.63132%0.315SS*.  trans-90.473.3-177.9-56.6-61.3-14.800109.9L332L332-Q334 PolarHBondContact O-N 2.77Å
335G94.5Very high91.9Very high15 Ų1563.5 Ų63.516%0.15534%0.34CS..SBendtrans85.3-176.1174.700000115.6L302 I333 N341L302-G335 WeakPolarHBondContact CD1-O 3.5Å; I333-G335 WeakPolarHBondContact CG2-O 3.37Å; I333-G335 PolarHBondContact O-N 3.17Å; I333-G335 VanDerWaalsContact O-N 3.16Å; G335-N341 PolarHBondContact O-ND2 3.46Å
336W94.9Very high92.3Very high190 Ų19068.3 Ų68.372%0.7237%0.365SS*.THydrogen-bonded Turntrans-70.8-32.5-168.5-63.6102.6000114.4L298 L302 D338 N341L298-W336 HydrophobicContact CD1-CZ2 3.74Å; L302-W336 HydrophobicContact CD1-CD2 4.44Å; L302-W336 HydrophobicContact CD2-CD2 4.31Å; L302-W336 HydrophobicContact CD2-CE3 3.82Å; L302-W336 HydrophobicContact CD2-CH2 4.05Å; L302-W336 HydrophobicContact CD2-CZ3 3.68Å; W336-D338 PolarHBondContact O-N 2.98Å; W336-N341 PolarHBondContact O-ND2 3.33Å
337A95.5Very high92.9Very high103 Ų10368 Ų6885%0.85136%0.364SS*.THydrogen-bonded Turntrans-74.5-5.4-17700000113.8
338D96.5Very high93.9Very high24 Ų2468.7 Ų68.713%0.12837%0.365CS..  trans-62.5122.8175.6-165.3-51.2000110.3I333 W336 R340 N341I333-D338 HydrophobicContact CG2-CB 3.68Å; W336-D338 PolarHBondContact O-N 2.98Å; D338-R340 PolarHBondContact O-N 3.09Å; D338-R340 VanDerWaalsContact OD1-CB 3.27Å; D338-R340 WeakPolarHBondContact OD1-CB 3.25Å; D338-R340 WeakPolarHBondContact OD1-CG 3.38Å; D338-R340 IonicContact OD1-CZ 2.87Å; D338-R340 PolarHBondContact OD1-N 2.99Å; D338-R340 IonicContact OD1-NE 3.35Å; D338-R340 PolarHBondContact OD1-NE 2.78Å; D338-R340 IonicContact OD1-NH2 3.83Å; D338-R340 IonicContact OD2-CZ 2.64Å; D338-R340 IonicContact OD2-NE 3.76Å; D338-R340 PolarHBondContact OD2-NE 3.01Å; D338-R340 IonicContact OD2-NH2 3.96Å; D338-R340 PolarHBondContact OD2-NH2 3.35Å; D338-N341 WeakPolarHBondContact O-CB 3.19Å; D338-N341 PolarHBondContact O-N 3.14Å; D338-N341 PolarHBondContact O-ND2 3.18Å
339P96.6Very high95.1Very high96 Ų9670.2 Ų70.262%0.62337%0.369SS*.THydrogen-bonded Turntrans-61.8-20.6-175.425-35.3000112.9N341 I342P339-N341 PolarHBondContact O-N 3.33Å; P339-I342 VanDerWaalsContact O-CB 3.27Å; P339-I342 WeakPolarHBondContact O-CB 3.42Å; P339-I342 WeakPolarHBondContact O-CG1 3.18Å; P339-I342 PolarHBondContact O-N 3.01Å
340R97.3Very high95.6Very high56 Ų5673.4 Ų73.421%0.21138%0.38CS..Hα-helixtrans-64.9-21.9176.4-65.7174.8-70.9169.30.4112.9Y306 K331 L332 I333 D338 I342 L343 T344Y306-R340 HydrophobicContact CD2-CB 4.01Å; Y306-R340 HydrophobicContact CE2-CB 3.71Å; Y306-R340 HydrophobicContact CE2-CG 4.24Å; K331-R340 PolarHBondContact O-NH1 3.39Å; L332-R340 PolarHBondContact O-NH2 3.37Å; I333-R340 HydrophobicContact CD1-CB 4.04Å; D338-R340 PolarHBondContact O-N 3.09Å; D338-R340 VanDerWaalsContact OD1-CB 3.27Å; D338-R340 WeakPolarHBondContact OD1-CB 3.25Å; D338-R340 WeakPolarHBondContact OD1-CG 3.38Å; D338-R340 IonicContact OD1-CZ 2.87Å; D338-R340 PolarHBondContact OD1-N 2.99Å; D338-R340 IonicContact OD1-NE 3.35Å; D338-R340 PolarHBondContact OD1-NE 2.78Å; D338-R340 IonicContact OD1-NH2 3.83Å; D338-R340 IonicContact OD2-CZ 2.64Å; D338-R340 IonicContact OD2-NE 3.76Å; D338-R340 PolarHBondContact OD2-NE 3.01Å; D338-R340 IonicContact OD2-NH2 3.96Å; D338-R340 PolarHBondContact OD2-NH2 3.35Å; R340-I342 PolarHBondContact O-N 3.22Å; R340-L343 WeakPolarHBondContact O-CB 3.38Å; R340-L343 PolarHBondContact O-N 3.38Å; R340-L343 VanDerWaalsContact O-N 3.08Å; R340-T344 PolarHBondContact O-N 3.23Å
341N97.6Very high96Very high17 Ų1773.7 Ų73.79%0.09138%0.381CS..Hα-helixtrans-62.2-24.2172-70.2-40.9000112.5G335 W336 D338 P339 L343 T344 L345G335-N341 PolarHBondContact O-ND2 3.46Å; W336-N341 PolarHBondContact O-ND2 3.33Å; D338-N341 WeakPolarHBondContact O-CB 3.19Å; D338-N341 PolarHBondContact O-N 3.14Å; D338-N341 PolarHBondContact O-ND2 3.18Å; P339-N341 PolarHBondContact O-N 3.33Å; N341-L343 VanDerWaalsContact C-N 3.32Å; N341-L343 PolarHBondContact O-N 3.47Å; N341-T344 WeakPolarHBondContact O-CB 3.42Å; N341-T344 PolarHBondContact O-N 2.89Å; N341-L345 WeakPolarHBondContact O-CG 3.42Å; N341-L345 PolarHBondContact O-N 3.43Å
342I97.4Very high96.3Very high102 Ų10271.7 Ų71.752%0.52338%0.378SS..Hα-helixtrans-62.5-41.9173.4-61.2171.2000110.1P339 R340 T344 L345 M346P339-I342 VanDerWaalsContact O-CB 3.27Å; P339-I342 WeakPolarHBondContact O-CB 3.42Å; P339-I342 WeakPolarHBondContact O-CG1 3.18Å; P339-I342 PolarHBondContact O-N 3.01Å; R340-I342 PolarHBondContact O-N 3.22Å; I342-T344 VanDerWaalsContact C-N 3.3Å; I342-T344 PolarHBondContact O-N 3.47Å; I342-L345 PolarHBondContact O-N 3.06Å; I342-M346 HydrophobicContact CG2-CG 4.41Å; I342-M346 HydrophobicContact CG2-SD 4.13Å; I342-M346 VanDerWaalsContact O-CG 3.3Å; I342-M346 WeakPolarHBondContact O-CG 3.13Å; I342-M346 PolarHBondContact O-N 3.4Å
343L96.8Very high96.5Very high82 Ų8274 Ų7443%0.42939%0.39SS..Hα-helixtrans-63.4-38.7175.9-65.3172.8000111.4Y306 P309 R340 N341 M346 A347Y306-L343 HydrophobicContact CE2-CB 4.38Å; Y306-L343 HydrophobicContact CE2-CD1 4.11Å; P309-L343 HydrophobicContact CB-CB 4.03Å; P309-L343 HydrophobicContact CG-CB 4.23Å; R340-L343 WeakPolarHBondContact O-CB 3.38Å; R340-L343 PolarHBondContact O-N 3.38Å; R340-L343 VanDerWaalsContact O-N 3.08Å; N341-L343 VanDerWaalsContact C-N 3.32Å; N341-L343 PolarHBondContact O-N 3.47Å; L343-M346 HydrophobicContact CD2-SD 4.42Å; L343-M346 PolarHBondContact O-N 3.21Å; L343-A347 WeakPolarHBondContact O-CB 3.38Å; L343-A347 PolarHBondContact O-N 2.92Å
344T97.3Very high96.5Very high11 Ų1174.6 Ų74.67%0.06739%0.393CS..Hα-helixtrans-58.6-51172.8-55.20000110.5L305 Y306 R340 N341 I342 M346 A347 F348L305-T344 HydrophobicContact CB-CG2 3.71Å; Y306-T344 WeakPolarHBondContact CA-OG1 3.49Å; R340-T344 PolarHBondContact O-N 3.23Å; N341-T344 WeakPolarHBondContact O-CB 3.42Å; N341-T344 PolarHBondContact O-N 2.89Å; I342-T344 VanDerWaalsContact C-N 3.3Å; I342-T344 PolarHBondContact O-N 3.47Å; T344-M346 VanDerWaalsContact C-N 3.34Å; T344-M346 PolarHBondContact O-N 3.11Å; T344-A347 PolarHBondContact O-N 3.32Å; T344-F348 HydrophobicContact CG2-CD2 3.78Å; T344-F348 HydrophobicContact CG2-CE2 3.75Å; T344-F348 VanDerWaalsContact O-CD2 3.28Å; T344-F348 WeakPolarHBondContact O-CD2 3.34Å; T344-F348 PolarHBondContact O-N 2.89Å
345L97.3Very high96.7Very high117 Ų11771.2 Ų71.261%0.61338%0.381SS*.Hα-helixtrans-60.2-41.4178.1-68.3174.1000112.4N341 I342 S349N341-L345 WeakPolarHBondContact O-CG 3.42Å; N341-L345 PolarHBondContact O-N 3.43Å; I342-L345 PolarHBondContact O-N 3.06Å; L345-S349 VanDerWaalsContact O-CB 3.24Å; L345-S349 WeakPolarHBondContact O-CB 3.49Å; L345-S349 PolarHBondContact O-N 3.19Å; L345-S349 PolarHBondContact O-OG 3.34Å
346M97.6Very high96.7Very high122 Ų12276.5 Ų76.560%0.60140%0.4SS*.Hα-helixtrans-62.2-45176.4-71.317571.900111.7I342 L343 T344 S349 F350I342-M346 HydrophobicContact CG2-CG 4.41Å; I342-M346 HydrophobicContact CG2-SD 4.13Å; I342-M346 VanDerWaalsContact O-CG 3.3Å; I342-M346 WeakPolarHBondContact O-CG 3.13Å; I342-M346 PolarHBondContact O-N 3.4Å; L343-M346 HydrophobicContact CD2-SD 4.42Å; L343-M346 PolarHBondContact O-N 3.21Å; T344-M346 VanDerWaalsContact C-N 3.34Å; T344-M346 PolarHBondContact O-N 3.11Å; M346-S349 PolarHBondContact O-N 2.91Å; M346-F350 WeakPolarHBondContact O-CB 3.48Å; M346-F350 PolarHBondContact O-N 3.41Å
347A96.9Very high96.6Very high9 Ų969.7 Ų69.77%0.07438%0.377CS..Hα-helixtrans-63.2-46.3178.800000112.4V308 P309 L312 L343 T344 F350 I351V308-A347 HydrophobicContact CG1-CB 4.36Å; P309-A347 HydrophobicContact CB-CB 3.88Å; P309-A347 HydrophobicContact CG-CB 4.42Å; L312-A347 HydrophobicContact CD1-CB 3.86Å; L343-A347 WeakPolarHBondContact O-CB 3.38Å; L343-A347 PolarHBondContact O-N 2.92Å; T344-A347 PolarHBondContact O-N 3.32Å; A347-F350 WeakPolarHBondContact O-CB 3.44Å; A347-F350 PolarHBondContact O-N 3.43Å; A347-I351 WeakPolarHBondContact O-CG1 3.41Å; A347-I351 PolarHBondContact O-N 3.42Å
348F96.7Very high96.5Very high74 Ų7465.4 Ų65.433%0.32534%0.341SS..Hα-helixtrans-68.1-36.2177.1-79.2-76.3000112.1L305 V308 T344 F350 I351 L352L305-F348 HydrophobicContact CB-CE2 4.26Å; L305-F348 HydrophobicContact CD2-CE2 3.85Å; L305-F348 HydrophobicContact CD2-CZ 3.66Å; V308-F348 HydrophobicContact CG2-CE2 4.42Å; V308-F348 HydrophobicContact CG2-CZ 4.07Å; T344-F348 HydrophobicContact CG2-CD2 3.78Å; T344-F348 HydrophobicContact CG2-CE2 3.75Å; T344-F348 VanDerWaalsContact O-CD2 3.28Å; T344-F348 WeakPolarHBondContact O-CD2 3.34Å; T344-F348 PolarHBondContact O-N 2.89Å; F348-F350 VanDerWaalsContact C-N 3.32Å; F348-F350 PolarHBondContact O-N 3.5Å; F348-I351 PolarHBondContact O-N 2.95Å; F348-L352 WeakPolarHBondContact O-CB 3.39Å; F348-L352 VanDerWaalsContact O-CG 3.27Å; F348-L352 WeakPolarHBondContact O-CG 3.49Å; F348-L352 PolarHBondContact O-N 3.18Å
349S97.8Very high96.2Very high71 Ų7168 Ų6850%0.49736%0.357SS..Hα-helixtrans-62.5-39.8173.3-60.60000111.8L345 M346 L352 L353L345-S349 VanDerWaalsContact O-CB 3.24Å; L345-S349 WeakPolarHBondContact O-CB 3.49Å; L345-S349 PolarHBondContact O-N 3.19Å; L345-S349 PolarHBondContact O-OG 3.34Å; M346-S349 PolarHBondContact O-N 2.91Å; S349-L352 PolarHBondContact O-N 3.37Å; S349-L353 WeakPolarHBondContact O-CB 3.19Å; S349-L353 PolarHBondContact O-N 3.12Å
350F96.4Very high95.9Very high91 Ų9165.3 Ų65.340%0.39934%0.338SS..Hα-helixtrans-63.3-45.9174173.5-105.4000111.9M346 A347 F348 L352 L353 L354M346-F350 WeakPolarHBondContact O-CB 3.48Å; M346-F350 PolarHBondContact O-N 3.41Å; A347-F350 WeakPolarHBondContact O-CB 3.44Å; A347-F350 PolarHBondContact O-N 3.43Å; F348-F350 VanDerWaalsContact C-N 3.32Å; F348-F350 PolarHBondContact O-N 3.5Å; F350-L352 PolarHBondContact O-N 3.37Å; F350-L353 WeakPolarHBondContact O-CB 3.24Å; F350-L353 PolarHBondContact O-N 3.31Å; F350-L354 HydrophobicContact CD1-CD1 4.32Å; F350-L354 HydrophobicContact CE1-CD1 3.72Å; F350-L354 HydrophobicContact CE1-CG 4.46Å; F350-L354 HydrophobicContact CE2-CD2 4.46Å; F350-L354 HydrophobicContact CZ-CD1 3.84Å; F350-L354 HydrophobicContact CZ-CD2 4.38Å; F350-L354 HydrophobicContact CZ-CG 4.29Å; F350-L354 WeakPolarHBondContact O-CG 3.23Å; F350-L354 PolarHBondContact O-N 2.88Å; F350-L354 VanDerWaalsContact O-N 3.09Å
351I96.4Very high95.2Very high35 Ų3570.9 Ų70.918%0.17936%0.359CS..Hα-helixtrans-61.7-45176.4-68.4168.8000110.9V308 A347 F348 L353 L354 V355 L375V308-I351 HydrophobicContact CG1-CD1 4.16Å; A347-I351 WeakPolarHBondContact O-CG1 3.41Å; A347-I351 PolarHBondContact O-N 3.42Å; F348-I351 PolarHBondContact O-N 2.95Å; I351-L353 VanDerWaalsContact C-N 3.31Å; I351-L353 PolarHBondContact O-N 2.67Å; I351-L354 WeakPolarHBondContact O-CB 3.48Å; I351-L354 PolarHBondContact O-N 2.86Å; I351-L354 VanDerWaalsContact O-N 3.15Å; I351-V355 WeakPolarHBondContact O-CG2 3.29Å; I351-V355 PolarHBondContact O-N 3.41Å; I351-L375 HydrophobicContact CG2-CD1 4.24Å
352L97.2Very high94.5Very high114 Ų11477 Ų7760%0.59739%0.385SS*.Hα-helixtrans-62.6-37177-73.8170000112.1F348 S349 F350 L354 V355 F356F348-L352 WeakPolarHBondContact O-CB 3.39Å; F348-L352 VanDerWaalsContact O-CG 3.27Å; F348-L352 WeakPolarHBondContact O-CG 3.49Å; F348-L352 PolarHBondContact O-N 3.18Å; S349-L352 PolarHBondContact O-N 3.37Å; F350-L352 PolarHBondContact O-N 3.37Å; L352-L354 VanDerWaalsContact C-N 3.35Å; L352-V355 PolarHBondContact O-N 3.35Å; L352-F356 WeakPolarHBondContact O-CB 3.4Å; L352-F356 PolarHBondContact O-N 3.42Å
353L96.8Very high94Very high91 Ų9173.1 Ų73.148%0.47637%0.366SS..Hα-helixtrans-62-41.6173.5177.764.3000111.5S349 F350 I351 F356 I357S349-L353 WeakPolarHBondContact O-CB 3.19Å; S349-L353 PolarHBondContact O-N 3.12Å; F350-L353 WeakPolarHBondContact O-CB 3.24Å; F350-L353 PolarHBondContact O-N 3.31Å; I351-L353 VanDerWaalsContact C-N 3.31Å; I351-L353 PolarHBondContact O-N 2.67Å; L353-F356 PolarHBondContact O-N 3.05Å; L353-I357 HydrophobicContact CD1-CD1 4.31Å; L353-I357 HydrophobicContact CD1-CG1 4.44Å; L353-I357 HydrophobicContact CG-CD1 4.04Å; L353-I357 VanDerWaalsContact O-CG1 3.26Å; L353-I357 WeakPolarHBondContact O-CG1 3.35Å; L353-I357 PolarHBondContact O-N 3.2Å
354L96.6Very high93.5Very high12 Ų1271.4 Ų71.46%0.06336%0.36CS..Hα-helixtrans-64.8-39175.5-63.6177.7000112.2F350 I351 L352 I357 T358 V371 L375 L411F350-L354 HydrophobicContact CD1-CD1 4.32Å; F350-L354 HydrophobicContact CE1-CD1 3.72Å; F350-L354 HydrophobicContact CE1-CG 4.46Å; F350-L354 HydrophobicContact CE2-CD2 4.46Å; F350-L354 HydrophobicContact CZ-CD1 3.84Å; F350-L354 HydrophobicContact CZ-CD2 4.38Å; F350-L354 HydrophobicContact CZ-CG 4.29Å; F350-L354 WeakPolarHBondContact O-CG 3.23Å; F350-L354 PolarHBondContact O-N 2.88Å; F350-L354 VanDerWaalsContact O-N 3.09Å; I351-L354 WeakPolarHBondContact O-CB 3.48Å; I351-L354 PolarHBondContact O-N 2.86Å; I351-L354 VanDerWaalsContact O-N 3.15Å; L352-L354 VanDerWaalsContact C-N 3.35Å; L354-I357 PolarHBondContact O-N 3.04Å; L354-T358 PolarHBondContact O-N 3.05Å; L354-T358 PolarHBondContact O-OG1 3.5Å; L354-V371 HydrophobicContact CB-CG1 3.9Å; L354-V371 HydrophobicContact CD2-CG1 4.01Å; L354-V371 WeakPolarHBondContact O-CG1 3.38Å; L354-L375 HydrophobicContact CB-CD1 4.33Å; L354-L375 HydrophobicContact CB-CD2 4.3Å; L354-L375 HydrophobicContact CD1-CD1 4.14Å; L354-L411 HydrophobicContact CD1-CD1 3.66Å; L354-L411 HydrophobicContact CD1-CD2 4.39Å; L354-L411 HydrophobicContact CD2-CD2 4.09Å
355V96.2Very high93.1Very high63 Ų6374.2 Ų74.238%0.38237%0.374SS..Hα-helixtrans-61.5-46.8172.4175.30000110.3I351 L352 I357 T358 V359 L375I351-V355 WeakPolarHBondContact O-CG2 3.29Å; I351-V355 PolarHBondContact O-N 3.41Å; L352-V355 PolarHBondContact O-N 3.35Å; V355-I357 PolarHBondContact O-N 3Å; V355-T358 WeakPolarHBondContact O-CB 3.49Å; V355-T358 PolarHBondContact O-N 3.37Å; V355-T358 VanDerWaalsContact O-N 3.13Å; V355-V359 PolarHBondContact O-N 3.25Å; V355-L375 HydrophobicContact CG2-CD2 3.59Å
356F95.6Very high92.6Very high126 Ų12670 Ų7055%0.55335%0.351SS*.Hα-helixtrans-59.7-45.4177.4177.6-100000111.9L352 L353 T358 V359 N360L352-F356 WeakPolarHBondContact O-CB 3.4Å; L352-F356 PolarHBondContact O-N 3.42Å; L353-F356 PolarHBondContact O-N 3.05Å; F356-T358 PolarHBondContact O-N 2.93Å; F356-V359 PolarHBondContact O-N 2.93Å; F356-N360 HydrophobicContact CE1-CB 4.3Å; F356-N360 HydrophobicContact CZ-CB 4.33Å; F356-N360 WeakPolarHBondContact O-CB 3.4Å; F356-N360 PolarHBondContact O-N 3.47Å
357I92.9Very high92.3Very high47 Ų4766.7 Ų66.724%0.24133%0.334CS..Hα-helixtrans-59-38.5176.2-69.9165.1000111.1L353 L354 V355 T363 V371L353-I357 HydrophobicContact CD1-CD1 4.31Å; L353-I357 HydrophobicContact CD1-CG1 4.44Å; L353-I357 HydrophobicContact CG-CD1 4.04Å; L353-I357 VanDerWaalsContact O-CG1 3.26Å; L353-I357 WeakPolarHBondContact O-CG1 3.35Å; L353-I357 PolarHBondContact O-N 3.2Å; L354-I357 PolarHBondContact O-N 3.04Å; V355-I357 PolarHBondContact O-N 3Å; I357-T363 HydrophobicContact CG2-CG2 3.83Å; I357-T363 WeakPolarHBondContact O-CB 3.38Å; I357-T363 WeakPolarHBondContact O-CG2 3.31Å; I357-T363 PolarHBondContact O-OG1 3.01Å; I357-V371 HydrophobicContact CG2-CB 4.43Å; I357-V371 HydrophobicContact CG2-CG1 4.48Å; I357-V371 HydrophobicContact CG2-CG2 3.98Å
358T92.7Very high92.1Very high13 Ų1366.3 Ų66.38%0.0833%0.331CS..Hα-helixtrans-66.5-41.3179.4-58.90000112.5Y202 L354 V355 F356 V371 C372Y202-T358 HydrophobicContact CD2-CG2 3.86Å; Y202-T358 HydrophobicContact CE2-CG2 4.01Å; L354-T358 PolarHBondContact O-N 3.05Å; L354-T358 PolarHBondContact O-OG1 3.5Å; V355-T358 WeakPolarHBondContact O-CB 3.49Å; V355-T358 PolarHBondContact O-N 3.37Å; V355-T358 VanDerWaalsContact O-N 3.13Å; F356-T358 PolarHBondContact O-N 2.93Å; T358-V371 WeakPolarHBondContact OG1-CG1 3.48Å; T358-C372 HydrophobicContact CG2-CB 3.61Å
359V91.2Very high92Very high78 Ų7866 Ų6647%0.47333%0.327SS..Hα-helixtrans-88.5-24.6-175.9-179.10000112.1Y205 V355 F356 W361Y205-V359 HydrophobicContact CE1-CG1 4.29Å; Y205-V359 WeakPolarHBondContact CE1-O 3.12Å; Y205-V359 PolarHBondContact OH-O 3.1Å; V355-V359 PolarHBondContact O-N 3.25Å; F356-V359 PolarHBondContact O-N 2.93Å; V359-W361 PolarHBondContact O-N 3.44Å; V359-W361 VanDerWaalsContact O-N 3.09Å
360N88.7Confident91.9Very high41 Ų4162.6 Ų62.622%0.21930%0.304CS..  trans-62.9115.3-176.9-178.47.1000111.9F356 K362 T363F356-N360 HydrophobicContact CE1-CB 4.3Å; F356-N360 HydrophobicContact CZ-CB 4.33Å; F356-N360 WeakPolarHBondContact O-CB 3.4Å; F356-N360 PolarHBondContact O-N 3.47Å; N360-K362 PolarHBondContact O-N 3.48Å; N360-K362 VanDerWaalsContact O-N 3.12Å; N360-K362 PolarHBondContact OD1-N 3.5Å; N360-T363 VanDerWaalsContact O-CB 3.29Å; N360-T363 WeakPolarHBondContact O-CB 3.49Å; N360-T363 PolarHBondContact O-N 3.06Å; N360-T363 PolarHBondContact O-OG1 3.34Å
361W82.4Confident91.9Very high172 Ų17258.6 Ų58.665%0.65229%0.287SS*.THydrogen-bonded Turntrans-57.2-23.6177.868.7-65000114.3L209 V359 T363L209-W361 HydrophobicContact CD2-CB 4.02Å; V359-W361 PolarHBondContact O-N 3.44Å; V359-W361 VanDerWaalsContact O-N 3.09Å; W361-T363 VanDerWaalsContact C-N 3.35Å
362K84.7Confident92Very high146 Ų14657.7 Ų57.764%0.63528%0.284SS*.THydrogen-bonded Turntrans-79.3-16.4175.9-62.9-175.5179.3179.60113.4N360N360-K362 PolarHBondContact O-N 3.48Å; N360-K362 VanDerWaalsContact O-N 3.12Å; N360-K362 PolarHBondContact OD1-N 3.5Å
363T86.1Confident92Very high21 Ų2152.5 Ų52.513%0.12926%0.256CS..SBendtrans-70.3132.2179.6-56.90000109.7I357 N360 W361 L365 Q367I357-T363 HydrophobicContact CG2-CG2 3.83Å; I357-T363 WeakPolarHBondContact O-CB 3.38Å; I357-T363 WeakPolarHBondContact O-CG2 3.31Å; I357-T363 PolarHBondContact O-OG1 3.01Å; N360-T363 VanDerWaalsContact O-CB 3.29Å; N360-T363 WeakPolarHBondContact O-CB 3.49Å; N360-T363 PolarHBondContact O-N 3.06Å; N360-T363 PolarHBondContact O-OG1 3.34Å; W361-T363 VanDerWaalsContact C-N 3.35Å; T363-L365 PolarHBondContact O-N 3.31Å; T363-Q367 HydrophobicContact CG2-CB 3.96Å
364P87Confident92.1Very high46 Ų4648.2 Ų48.230%0.29923%0.234SC..  trans-51.7133.2173.1-26.433.9000112H366 Q367 S368 F441P364-H366 PolarHBondContact O-N 3.5Å; P364-H366 VanDerWaalsContact O-N 3.09Å; P364-Q367 HydrophobicContact CB-CB 4.45Å; P364-Q367 HydrophobicContact CB-CG 4.32Å; P364-Q367 PolarHBondContact O-N 3.46Å; P364-S368 PolarHBondContact O-N 3.05Å; P364-S368 PolarHBondContact O-OG 3.23Å; P364-F441 HydrophobicContact CG-CE1 4.39Å; P364-F441 HydrophobicContact CG-CZ 4.23Å
365L88.1Confident92.2Very high69 Ų6948.7 Ų48.736%0.36124%0.236SC..Hα-helixtrans-49-42.7-177.5178.967.3000112.9Q206 T363 Q367 S368 R369Q206-L365 HydrophobicContact CG-CD1 3.98Å; T363-L365 PolarHBondContact O-N 3.31Å; L365-Q367 PolarHBondContact O-N 3.17Å; L365-S368 PolarHBondContact O-OG 3.13Å; L365-R369 HydrophobicContact CD1-CG 4.24Å; L365-R369 HydrophobicContact CG-CG 4.48Å; L365-R369 WeakPolarHBondContact O-CB 3.47Å; L365-R369 WeakPolarHBondContact O-CG 3.2Å; L365-R369 PolarHBondContact O-N 3.05Å
366H87.1Confident92.3Very high30 Ų3046.1 Ų46.114%0.13922%0.222CC..Hα-helixtrans-57.6-48.3177.1174.6-105.3000112.3Y109 P364 A370 E417 F424Y109-H366 PolarHBondContact O-CE1 3.21Å; Y109-H366 PolarHBondContact O-NE2 3.03Å; P364-H366 PolarHBondContact O-N 3.5Å; P364-H366 VanDerWaalsContact O-N 3.09Å; H366-A370 WeakPolarHBondContact O-CB 3.36Å; H366-A370 PolarHBondContact O-N 2.85Å; H366-E417 IonicContact CE1-OE1 3.08Å; H366-E417 PolarHBondContact CE1-OE1 3.42Å; H366-E417 IonicContact ND1-OE1 3.38Å; H366-E417 IonicContact NE2-OE1 3.9Å; H366-F424 HydrophobicContact CB-CB 4.4Å; H366-F424 HydrophobicContact CB-CD1 3.96Å; H366-F424 HydrophobicContact CB-CG 4.23Å; H366-F424 AromaticContact CD2-CD1 3.28Å; H366-F424 WeakPolarHBondContact CD2-CD1 3.41Å; H366-F424 AromaticContact CD2-CD2 3.32Å; H366-F424 WeakPolarHBondContact CD2-CD2 3.43Å; H366-F424 AromaticContact CD2-CE1 3.32Å; H366-F424 WeakPolarHBondContact CD2-CE1 3.34Å; H366-F424 AromaticContact CD2-CE2 3.37Å; H366-F424 WeakPolarHBondContact CD2-CE2 3.45Å; H366-F424 AromaticContact CD2-CG 3.27Å; H366-F424 WeakPolarHBondContact CD2-CG 3.3Å; H366-F424 AromaticContact CD2-CZ 3.36Å; H366-F424 WeakPolarHBondContact CD2-CZ 3.45Å; H366-F424 AromaticContact CE1-CD2 3.5Å; H366-F424 AromaticContact CE1-CG 3.8Å; H366-F424 AromaticContact CG-CD1 3.6Å; H366-F424 AromaticContact CG-CD2 3.92Å; H366-F424 AromaticContact CG-CG 3.5Å; H366-F424 AromaticContact ND1-CG 3.84Å; H366-F424 AromaticContact NE2-CD1 3.94Å; H366-F424 AromaticContact NE2-CD2 3Å; H366-F424 WeakPolarHBondContact NE2-CD2 3.43Å; H366-F424 AromaticContact NE2-CE1 3.99Å; H366-F424 AromaticContact NE2-CE2 3.08Å; H366-F424 WeakPolarHBondContact NE2-CE2 3.4Å; H366-F424 AromaticContact NE2-CG 3.46Å; H366-F424 WeakPolarHBondContact NE2-CG 3.41Å; H366-F424 AromaticContact NE2-CZ 3.59Å
367Q90.6Very high92.4Very high51 Ų5140.1 Ų40.124%0.23820%0.195CC..Hα-helixtrans-68.9-45.5-178.4-68.5178-7.600111.2T363 P364 L365 R369 A370 V371 L414 N418T363-Q367 HydrophobicContact CG2-CB 3.96Å; P364-Q367 HydrophobicContact CB-CB 4.45Å; P364-Q367 HydrophobicContact CB-CG 4.32Å; P364-Q367 PolarHBondContact O-N 3.46Å; L365-Q367 PolarHBondContact O-N 3.17Å; Q367-R369 VanDerWaalsContact C-N 3.32Å; Q367-R369 PolarHBondContact O-N 3.04Å; Q367-A370 PolarHBondContact O-N 3.24Å; Q367-V371 VanDerWaalsContact O-CG2 3.32Å; Q367-V371 WeakPolarHBondContact O-CG2 3.41Å; Q367-V371 PolarHBondContact O-N 3.41Å; Q367-L414 HydrophobicContact CG-CD1 4.35Å; Q367-N418 PolarHBondContact NE2-OD1 3.37Å
368S93.4Very high92.7Very high2 Ų238.5 Ų38.51%0.01419%0.187CC..Hα-helixtrans-64-37.2179.657.80000112.1Y202 P364 L365 C372Y202-S368 PolarHBondContact OH-OG 2.86Å; P364-S368 PolarHBondContact O-N 3.05Å; P364-S368 PolarHBondContact O-OG 3.23Å; L365-S368 PolarHBondContact O-OG 3.13Å; S368-C372 VanDerWaalsContact O-CB 3.31Å; S368-C372 WeakPolarHBondContact O-CB 3.48Å; S368-C372 PolarHBondContact O-N 3.3Å
369R93.9Very high92.9Very high66 Ų6640.4 Ų40.425%0.24920%0.198CC..Hα-helixtrans-61-49.1171.6-77.3176.371.9142.42.4112.6Y109 Y202 L365 Q367 C372 M373Y109-R369 HydrophobicContact CD1-CB 4.31Å; Y109-R369 HydrophobicContact CE1-CB 4.34Å; Y202-R369 HydrophobicContact CD1-CG 4.42Å; Y202-R369 HydrophobicContact CE1-CB 4.38Å; Y202-R369 HydrophobicContact CE1-CG 3.36Å; Y202-R369 VanDerWaalsContact OH-CG 3.27Å; Y202-R369 WeakPolarHBondContact OH-CG 3.3Å; Y202-R369 PolarHBondContact OH-N 3.13Å; L365-R369 HydrophobicContact CD1-CG 4.24Å; L365-R369 HydrophobicContact CG-CG 4.48Å; L365-R369 WeakPolarHBondContact O-CB 3.47Å; L365-R369 WeakPolarHBondContact O-CG 3.2Å; L365-R369 PolarHBondContact O-N 3.05Å; Q367-R369 VanDerWaalsContact C-N 3.32Å; Q367-R369 PolarHBondContact O-N 3.04Å; R369-C372 PolarHBondContact O-N 2.92Å; R369-M373 PolarHBondContact O-N 3.47Å; R369-M373 VanDerWaalsContact O-N 3.09Å
370A95.7Very high93.2Very high1 Ų139.5 Ų39.51%0.00819%0.188CC..Hα-helixtrans-63.9-44.2-178.900000111.3Y109 H366 Q367 M373 A374 L414Y109-A370 HydrophobicContact CD1-CB 4.49Å; H366-A370 WeakPolarHBondContact O-CB 3.36Å; H366-A370 PolarHBondContact O-N 2.85Å; Q367-A370 PolarHBondContact O-N 3.24Å; A370-M373 PolarHBondContact O-N 3.41Å; A370-A374 VanDerWaalsContact O-CB 3.23Å; A370-A374 WeakPolarHBondContact O-CB 3.39Å; A370-A374 PolarHBondContact O-N 3.23Å; A370-L414 HydrophobicContact CB-CD1 3.92Å; A370-L414 HydrophobicContact CB-CD2 3.85Å; A370-L414 HydrophobicContact CB-CG 4.4Å
371V97.3Very high93.6Very high6 Ų637.6 Ų37.64%0.03618%0.178CC..Hα-helixtrans-63.7-42.7175.9177.70000111.4L354 I357 T358 Q367 M373 A374 L375 L411 L414L354-V371 HydrophobicContact CB-CG1 3.9Å; L354-V371 HydrophobicContact CD2-CG1 4.01Å; L354-V371 WeakPolarHBondContact O-CG1 3.38Å; I357-V371 HydrophobicContact CG2-CB 4.43Å; I357-V371 HydrophobicContact CG2-CG1 4.48Å; I357-V371 HydrophobicContact CG2-CG2 3.98Å; T358-V371 WeakPolarHBondContact OG1-CG1 3.48Å; Q367-V371 VanDerWaalsContact O-CG2 3.32Å; Q367-V371 WeakPolarHBondContact O-CG2 3.41Å; Q367-V371 PolarHBondContact O-N 3.41Å; V371-M373 VanDerWaalsContact C-N 3.34Å; V371-M373 PolarHBondContact O-N 2.93Å; V371-A374 PolarHBondContact O-N 3.21Å; V371-L375 WeakPolarHBondContact O-CB 3.21Å; V371-L375 PolarHBondContact O-N 3.12Å; V371-L411 HydrophobicContact CG1-CD2 4.48Å; V371-L411 HydrophobicContact CG2-CD2 4.4Å; V371-L414 HydrophobicContact CG2-CD2 3.47Å; V371-L414 VanDerWaalsContact CG2-CD2 3.47Å
372C97.4Very high94.3Very high17 Ų1730.7 Ų30.712%0.11515%0.153CC..Hα-helixtrans-56.2-48.8176.5-171.90000111.7Y202 T358 S368 R369 S376Y202-C372 HydrophobicContact CD2-CB 4.11Å; Y202-C372 HydrophobicContact CE2-CB 4.46Å; Y202-C372 HydrophobicContact CG-CB 4.4Å; T358-C372 HydrophobicContact CG2-CB 3.61Å; S368-C372 VanDerWaalsContact O-CB 3.31Å; S368-C372 WeakPolarHBondContact O-CB 3.48Å; S368-C372 PolarHBondContact O-N 3.3Å; R369-C372 PolarHBondContact O-N 2.92Å; C372-S376 WeakPolarHBondContact O-CB 3.39Å; C372-S376 PolarHBondContact O-N 3.4Å; C372-S376 PolarHBondContact O-OG 3.18Å
373M98.2Very high94.7Very high5 Ų526.2 Ų26.23%0.02514%0.135CC..Hα-helixtrans-65.8-46.1179.2-179.752.966.700111.4Y109 L151 L155 I195 Y199 R369 A370 V371 L375 S376 L377 L410Y109-M373 HydrophobicContact CD1-CB 4.28Å; Y109-M373 HydrophobicContact CD2-CB 4.5Å; Y109-M373 HydrophobicContact CD2-CG 4.16Å; Y109-M373 HydrophobicContact CE1-CB 3.88Å; Y109-M373 HydrophobicContact CE1-CG 4.35Å; Y109-M373 HydrophobicContact CE2-CB 4.16Å; Y109-M373 HydrophobicContact CE2-CE 4.21Å; Y109-M373 HydrophobicContact CE2-CG 3.7Å; Y109-M373 WeakPolarHBondContact OH-CE 3.34Å; L151-M373 HydrophobicContact CD1-CE 4.22Å; L151-M373 HydrophobicContact CD2-SD 4.2Å; L155-M373 HydrophobicContact CD1-CE 4.21Å; L155-M373 HydrophobicContact CD2-CE 4.13Å; I195-M373 HydrophobicContact CG2-CE 4.1Å; I195-M373 HydrophobicContact CG2-SD 3.88Å; Y199-M373 HydrophobicContact CD2-CE 4.29Å; R369-M373 PolarHBondContact O-N 3.47Å; R369-M373 VanDerWaalsContact O-N 3.09Å; A370-M373 PolarHBondContact O-N 3.41Å; V371-M373 VanDerWaalsContact C-N 3.34Å; V371-M373 PolarHBondContact O-N 2.93Å; M373-L375 PolarHBondContact O-N 3.16Å; M373-S376 PolarHBondContact O-N 3.14Å; M373-L377 HydrophobicContact CG-CD1 3.95Å; M373-L377 WeakPolarHBondContact O-CG 3.16Å; M373-L377 PolarHBondContact O-N 3.07Å; M373-L377 HydrophobicContact SD-CD1 4.02Å; M373-L377 HydrophobicContact SD-CG 4.04Å; M373-L410 HydrophobicContact CB-CD2 4.3Å; M373-L410 HydrophobicContact CG-CD2 3.97Å
374A98.5Very high95Very high1 Ų128.1 Ų28.11%0.00815%0.148CC..Hα-helixtrans-65.5-41.1-177.700000112.3A370 V371 L377 L378 G407 L410 L411A370-A374 VanDerWaalsContact O-CB 3.23Å; A370-A374 WeakPolarHBondContact O-CB 3.39Å; A370-A374 PolarHBondContact O-N 3.23Å; V371-A374 PolarHBondContact O-N 3.21Å; A374-L377 PolarHBondContact O-N 3.29Å; A374-L378 WeakPolarHBondContact O-CB 3.4Å; A374-L378 PolarHBondContact O-N 3.31Å; A374-G407 WeakPolarHBondContact O-CA 3.38Å; A374-L410 HydrophobicContact CB-CB 3.95Å; A374-L410 HydrophobicContact CB-CD2 3.75Å; A374-L410 HydrophobicContact CB-CG 3.8Å; A374-L411 HydrophobicContact CB-CD2 3.64Å; A374-L411 HydrophobicContact CB-CG 3.58Å
375L98.2Very high95.3Very high21 Ų2126.5 Ų26.511%0.1114%0.138CC..Hα-helixtrans-64-41173.3-178.164.2000111.5I351 L354 V355 V371 M373 L378 V379I351-L375 HydrophobicContact CG2-CD1 4.24Å; L354-L375 HydrophobicContact CB-CD1 4.33Å; L354-L375 HydrophobicContact CB-CD2 4.3Å; L354-L375 HydrophobicContact CD1-CD1 4.14Å; V355-L375 HydrophobicContact CG2-CD2 3.59Å; V371-L375 WeakPolarHBondContact O-CB 3.21Å; V371-L375 PolarHBondContact O-N 3.12Å; M373-L375 PolarHBondContact O-N 3.16Å; L375-L378 PolarHBondContact O-N 2.87Å; L375-V379 HydrophobicContact CD1-CG2 3.71Å; L375-V379 HydrophobicContact CG-CG2 4.27Å; L375-V379 WeakPolarHBondContact O-CB 3.11Å; L375-V379 WeakPolarHBondContact O-CG2 3.26Å; L375-V379 PolarHBondContact O-N 3.45Å
376S98.4Very high95.5Very high10 Ų1024 Ų247%0.0713%0.126CC..Hα-helixtrans-63.5-44.1177.8-59.90000111.9C372 M373 L378 F380 P381C372-S376 WeakPolarHBondContact O-CB 3.39Å; C372-S376 PolarHBondContact O-N 3.4Å; C372-S376 PolarHBondContact O-OG 3.18Å; M373-S376 PolarHBondContact O-N 3.14Å; S376-L378 VanDerWaalsContact C-N 3.31Å; S376-L378 PolarHBondContact O-N 3.44Å; S376-F380 WeakPolarHBondContact O-CB 3.41Å; S376-F380 WeakPolarHBondContact O-CD2 3.34Å; S376-F380 PolarHBondContact O-N 3.41Å; S376-P381 WeakPolarHBondContact O-CD 3.09Å
377L98.5Very high95.7Very high0 Ų022.8 Ų22.80%012%0.121CC..Hα-helixtrans-65.4-32.6175.3-72.4166.1000112.8L105 F147 L151 I195 M373 A374 P381 P404 L406 L410L105-L377 HydrophobicContact CD2-CD1 3.81Å; F147-L377 HydrophobicContact CE1-CD2 3.68Å; F147-L377 HydrophobicContact CZ-CD2 4.18Å; L151-L377 HydrophobicContact CD2-CD2 3.96Å; I195-L377 HydrophobicContact CD1-CD2 3.71Å; I195-L377 HydrophobicContact CD1-CG 4.19Å; M373-L377 HydrophobicContact CG-CD1 3.95Å; M373-L377 WeakPolarHBondContact O-CG 3.16Å; M373-L377 PolarHBondContact O-N 3.07Å; M373-L377 HydrophobicContact SD-CD1 4.02Å; M373-L377 HydrophobicContact SD-CG 4.04Å; A374-L377 PolarHBondContact O-N 3.29Å; L377-P381 WeakPolarHBondContact O-CD 3.3Å; L377-P381 VanDerWaalsContact O-CG 3.29Å; L377-P381 WeakPolarHBondContact O-CG 3.47Å; L377-P404 WeakPolarHBondContact O-CA 3.09Å; L377-L406 HydrophobicContact CD1-CB 4.42Å; L377-L410 HydrophobicContact CD1-CD2 4.14Å
378L98Very high95.5Very high13 Ų1325.8 Ų25.87%0.06814%0.138CC..Hα-helixtrans-74.8-43.2178.2-17763.5000111.8L312 L315 A374 L375 S376 P404 F408 L411L312-L378 HydrophobicContact CD2-CD2 4.42Å; L315-L378 HydrophobicContact CD1-CD1 4.11Å; A374-L378 WeakPolarHBondContact O-CB 3.4Å; A374-L378 PolarHBondContact O-N 3.31Å; L375-L378 PolarHBondContact O-N 2.87Å; S376-L378 VanDerWaalsContact C-N 3.31Å; S376-L378 PolarHBondContact O-N 3.44Å; L378-P404 HydrophobicContact CD1-CB 4.32Å; L378-P404 WeakPolarHBondContact CD1-O 3.47Å; L378-F408 HydrophobicContact CD1-CB 4.28Å; L378-L411 HydrophobicContact CD2-CD1 4.38Å
379V97.2Very high95.2Very high52 Ų5232.4 Ų32.432%0.31517%0.167SC..Hα-helixtrans-88.4-55.2-169.8175.70000112.2L375 F382 I383L375-V379 HydrophobicContact CD1-CG2 3.71Å; L375-V379 HydrophobicContact CG-CG2 4.27Å; L375-V379 WeakPolarHBondContact O-CB 3.11Å; L375-V379 WeakPolarHBondContact O-CG2 3.26Å; L375-V379 PolarHBondContact O-N 3.45Å; V379-F382 PolarHBondContact O-N 3.21Å; V379-I383 HydrophobicContact CG1-CD1 4.27Å; V379-I383 HydrophobicContact CG1-CG1 4.28Å; V379-I383 WeakPolarHBondContact O-CG1 3.32Å; V379-I383 PolarHBondContact O-N 2.64Å; V379-I383 VanDerWaalsContact O-N 3.12Å
380F97.6Very high94.7Very high59 Ų5935.8 Ų35.826%0.25918%0.184SC..G310 helixtrans-60.1-47.1-170.1-75.4-73.3000113.5T191 G194 I195 A198 S376 F382 I383T191-F380 WeakPolarHBondContact CB-O 3.4Å; T191-F380 WeakPolarHBondContact CG2-O 3.4Å; G194-F380 WeakPolarHBondContact O-CE2 3.4Å; G194-F380 WeakPolarHBondContact O-CZ 3.4Å; I195-F380 HydrophobicContact CG1-CB 4.08Å; I195-F380 HydrophobicContact CG1-CD2 3.86Å; I195-F380 HydrophobicContact CG1-CG 4.28Å; A198-F380 HydrophobicContact CB-CE2 3.88Å; A198-F380 HydrophobicContact CB-CZ 4.37Å; S376-F380 WeakPolarHBondContact O-CB 3.41Å; S376-F380 WeakPolarHBondContact O-CD2 3.34Å; S376-F380 PolarHBondContact O-N 3.41Å; F380-F382 PolarHBondContact O-N 3.3Å; F380-I383 HydrophobicContact CD1-CD1 3.89Å; F380-I383 HydrophobicContact CE1-CD1 4.44Å; F380-I383 PolarHBondContact O-N 3.08Å
381P97.4Very high94.2Very high1 Ų138.4 Ų38.41%0.00620%0.201CC..G310 helixtrans-64.8-21176-2235.9000114F147 Q188 T191 S376 L377 T403 P404F147-P381 HydrophobicContact CE2-CG 4.06Å; F147-P381 HydrophobicContact CZ-CG 3.77Å; Q188-P381 HydrophobicContact CG-CB 4.11Å; Q188-P381 WeakPolarHBondContact CG-O 3.48Å; Q188-P381 PolarHBondContact NE2-O 3.41Å; T191-P381 VanDerWaalsContact OG1-CA 3.27Å; T191-P381 WeakPolarHBondContact OG1-CA 3.22Å; S376-P381 WeakPolarHBondContact O-CD 3.09Å; L377-P381 WeakPolarHBondContact O-CD 3.3Å; L377-P381 VanDerWaalsContact O-CG 3.29Å; L377-P381 WeakPolarHBondContact O-CG 3.47Å; P381-T403 HydrophobicContact CB-CG2 3.78Å; P381-T403 HydrophobicContact CG-CG2 3.81Å; P381-P404 HydrophobicContact CB-CG 4.19Å
382F96.3Very high93.8Very high27 Ų2739.5 Ų39.512%0.11821%0.207CC..G310 helixtrans-86.7-23.5178.9-173-110.2000113N311 V379 F380 A385 S386 V400 L401 P404N311-F382 HydrophobicContact CB-CE2 4.24Å; N311-F382 HydrophobicContact CB-CZ 4.07Å; V379-F382 PolarHBondContact O-N 3.21Å; F380-F382 PolarHBondContact O-N 3.3Å; F382-A385 CarbonylContact O-C 3.22Å; F382-A385 PolarHBondContact O-N 3.28Å; F382-S386 PolarHBondContact O-N 2.7Å; F382-V400 HydrophobicContact CD2-CG1 4.01Å; F382-V400 HydrophobicContact CE2-CG1 4.21Å; F382-L401 HydrophobicContact CD2-CD2 4.02Å; F382-L401 HydrophobicContact CE2-CD2 3.93Å; F382-P404 HydrophobicContact CB-CB 4.45Å; F382-P404 HydrophobicContact CB-CG 3.91Å; F382-P404 HydrophobicContact CD2-CG 4.39Å
383I94.7Very high93Very high52 Ų5240 Ų4027%0.26722%0.215SC..G310 helixtrans-49.4-49-177.2-73170.6000113.2V379 F380 A385 S386 F389V379-I383 HydrophobicContact CG1-CD1 4.27Å; V379-I383 HydrophobicContact CG1-CG1 4.28Å; V379-I383 WeakPolarHBondContact O-CG1 3.32Å; V379-I383 PolarHBondContact O-N 2.64Å; V379-I383 VanDerWaalsContact O-N 3.12Å; F380-I383 HydrophobicContact CD1-CD1 3.89Å; F380-I383 HydrophobicContact CE1-CD1 4.44Å; F380-I383 PolarHBondContact O-N 3.08Å; I383-A385 PolarHBondContact O-N 3.37Å; I383-A385 VanDerWaalsContact O-N 3.12Å; I383-S386 WeakPolarHBondContact O-CB 3.39Å; I383-S386 PolarHBondContact O-N 3.21Å; I383-S386 PolarHBondContact O-OG 3.33Å; I383-F389 HydrophobicContact CG2-CD2 3.75Å; I383-F389 HydrophobicContact CG2-CE2 3.66Å
384P91.7Very high92.5Very high62 Ų6242.7 Ų42.740%0.40323%0.227SC..G310 helixtrans-59.5-27.4-178.1-25.535.7000114T191 V392T191-P384 HydrophobicContact CG2-CG 3.61Å; P384-V392 WeakPolarHBondContact O-CG1 3.4Å
385A92.4Very high91.9Very high11 Ų1143.2 Ų43.29%0.09123%0.23CC..G310 helixtrans-100.4-2.3-179.600000113.7F382 I383 N387 F394 V400F382-A385 CarbonylContact O-C 3.22Å; F382-A385 PolarHBondContact O-N 3.28Å; I383-A385 PolarHBondContact O-N 3.37Å; I383-A385 VanDerWaalsContact O-N 3.12Å; A385-N387 PolarHBondContact O-N 3.16Å; A385-N387 PolarHBondContact O-ND2 2.9Å; A385-F394 HydrophobicContact CB-CE2 4Å; A385-F394 HydrophobicContact CB-CZ 3.85Å; A385-V400 HydrophobicContact CB-CB 4.37Å; A385-V400 HydrophobicContact CB-CG1 3.29Å; A385-V400 HydrophobicContact CB-CG2 4.2Å
386S92.8Very high91.6Very high16 Ų1642.4 Ų42.411%0.11223%0.226CC..SBendtrans-74.4-7.3-172.667.60000114.9F382 I383 L388F382-S386 PolarHBondContact O-N 2.7Å; I383-S386 WeakPolarHBondContact O-CB 3.39Å; I383-S386 PolarHBondContact O-N 3.21Å; I383-S386 PolarHBondContact O-OG 3.33Å; S386-L388 PolarHBondContact O-N 3.03Å; S386-L388 VanDerWaalsContact O-N 3.13Å; S386-L388 VanDerWaalsContact OG-CB 3.23Å; S386-L388 WeakPolarHBondContact OG-CB 3.48Å; S386-L388 PolarHBondContact OG-N 3.26Å
387N91.1Very high91.4Very high6 Ų642.1 Ų42.13%0.03223%0.225CC..SBendtrans57.916-170.4-67.4-87.9000114.4N290 H304 A385 F390 P391 V392N290-N387 PolarHBondContact ND2-OD1 2.79Å; N290-N387 VanDerWaalsContact ND2-OD1 3.17Å; H304-N387 HydrophobicContact CB-CB 4.32Å; H304-N387 PolarHBondContact ND1-O 3.47Å; A385-N387 PolarHBondContact O-N 3.16Å; A385-N387 PolarHBondContact O-ND2 2.9Å; N387-F390 WeakPolarHBondContact CA-O 3.05Å; N387-P391 WeakPolarHBondContact OD1-CA 3.38Å; N387-V392 PolarHBondContact OD1-N 2.92Å
388L87.4Confident91.2Very high114 Ų11442.1 Ų42.160%0.59723%0.225SC*.SBendtrans-76.3-50.8-176.2-178.963.8000112.9S386S386-L388 PolarHBondContact O-N 3.03Å; S386-L388 VanDerWaalsContact O-N 3.13Å; S386-L388 VanDerWaalsContact OG-CB 3.23Å; S386-L388 WeakPolarHBondContact OG-CB 3.48Å; S386-L388 PolarHBondContact OG-N 3.26Å
389F85.7Confident91.1Very high140 Ų14044.2 Ų44.261%0.61423%0.231SC*.SBendtrans-93.3-41-177.9-64.5-68.9000112.3I383I383-F389 HydrophobicContact CG2-CD2 3.75Å; I383-F389 HydrophobicContact CG2-CE2 3.66Å
390F83.6Confident90.9Very high137 Ų13742.2 Ų42.260%0.60122%0.219SC*.SBendtrans-138.1138.4178.9-51.4-79.5000108.5N387N387-F390 WeakPolarHBondContact CA-O 3.05Å
391P86.5Confident90.9Very high57 Ų5739.5 Ų39.537%0.3721%0.208SC..  trans-65.6142.8170.4-10.324.5000110.1F285 N387F285-P391 HydrophobicContact CE2-CB 4.32Å; F285-P391 HydrophobicContact CZ-CB 3.78Å; F285-P391 HydrophobicContact CZ-CG 4.47Å; N387-P391 WeakPolarHBondContact OD1-CA 3.38Å
392V87.3Confident91Very high28 Ų2839.5 Ų39.517%0.1721%0.207CC..  trans-114.4159.4175-59.40000110.1N290 P384 N387 F394N290-V392 PolarHBondContact ND2-O 3.44Å; P384-V392 WeakPolarHBondContact O-CG1 3.4Å; N387-V392 PolarHBondContact OD1-N 2.92Å; V392-F394 VanDerWaalsContact C-N 3.26Å; V392-F394 HydrophobicContact CG2-CD1 4.47Å; V392-F394 HydrophobicContact CG2-CD2 4.35Å; V392-F394 HydrophobicContact CG2-CE1 4.24Å; V392-F394 HydrophobicContact CG2-CE2 4.11Å; V392-F394 HydrophobicContact CG2-CZ 4.04Å; V392-F394 WeakPolarHBondContact CG2-O 3.35Å; V392-F394 PolarHBondContact O-N 3.32Å
393G82.4Confident91.1Very high28 Ų2838.2 Ų38.229%0.28920%0.202SC..SBendtrans-63.8-24.6-17400000114.8D289D289-G393 CarbonylContact C-O 3.39Å; D289-G393 WeakPolarHBondContact CB-O 3.2Å; D289-G393 VanDerWaalsContact O-O 3.07Å
394F86.4Confident91.3Very high61 Ų6135.9 Ų35.927%0.26819%0.19SC..  trans-107.4151.6178.759.3-93.9000112.1A385 V392 A397 V400A385-F394 HydrophobicContact CB-CE2 4Å; A385-F394 HydrophobicContact CB-CZ 3.85Å; V392-F394 VanDerWaalsContact C-N 3.26Å; V392-F394 HydrophobicContact CG2-CD1 4.47Å; V392-F394 HydrophobicContact CG2-CD2 4.35Å; V392-F394 HydrophobicContact CG2-CE1 4.24Å; V392-F394 HydrophobicContact CG2-CE2 4.11Å; V392-F394 HydrophobicContact CG2-CZ 4.04Å; V392-F394 WeakPolarHBondContact CG2-O 3.35Å; V392-F394 PolarHBondContact O-N 3.32Å; F394-A397 HydrophobicContact CD2-CB 3.84Å; F394-A397 HydrophobicContact CE2-CB 4.06Å; F394-A397 HydrophobicContact CG-CB 4.29Å; F394-V400 HydrophobicContact CE2-CG2 3.87Å; F394-V400 HydrophobicContact CZ-CG2 3.67Å
395V86.6Confident91.6Very high12 Ų1232.9 Ų32.97%0.07317%0.171CC..SBendtrans-86.2-47.1176.4-174.40000111.1N290 L307 L330N290-V395 HydrophobicContact CB-CG2 4.42Å; L307-V395 HydrophobicContact CD1-CG1 3.95Å; L307-V395 HydrophobicContact CD2-CG1 3.39Å; L307-V395 HydrophobicContact CG-CG1 4.31Å; L330-V395 HydrophobicContact CD1-CG1 3.91Å
396V92.2Very high91.9Very high4 Ų432.4 Ų32.42%0.02417%0.167CC..  trans-141142.9176.3176.30000108.4L307 V310 L314 W325 L330L307-V396 HydrophobicContact CD2-CG2 4.38Å; V310-V396 HydrophobicContact CG1-CG2 3.97Å; L314-V396 HydrophobicContact CD1-CG1 3.66Å; W325-V396 HydrophobicContact CB-CB 3.99Å; W325-V396 WeakPolarHBondContact CB-O 3.25Å; W325-V396 VanDerWaalsContact CD1-O 3.32Å; W325-V396 HydrophobicContact CD2-CB 3.88Å; W325-V396 HydrophobicContact CD2-CG1 4.05Å; W325-V396 HydrophobicContact CE3-CB 4.38Å; W325-V396 HydrophobicContact CG-CB 3.7Å; W325-V396 HydrophobicContact CG-CG1 4.12Å; L330-V396 HydrophobicContact CD1-CG2 3.82Å
397A92.7Very high92.1Very high5 Ų531.7 Ų31.74%0.04116%0.161CC..  trans-147.7127.8172.800000109.2F394 R399 V400F394-A397 HydrophobicContact CD2-CB 3.84Å; F394-A397 HydrophobicContact CE2-CB 4.06Å; F394-A397 HydrophobicContact CG-CB 4.29Å; A397-R399 VanDerWaalsContact C-N 3.34Å; A397-R399 HydrophobicContact CB-CG 4.27Å; A397-R399 PolarHBondContact O-N 3.05Å; A397-V400 HydrophobicContact CB-CG2 4Å; A397-V400 WeakPolarHBondContact O-CB 3.37Å; A397-V400 PolarHBondContact O-N 2.91Å
398E95.2Very high92.5Very high0 Ų032.5 Ų32.50%017%0.165CC..G310 helixtrans-66.8-40-174.3-54.1169-159.500110.6V127 E130 L321 C322 V400 L401 R472V127-E398 HydrophobicContact CG2-CB 3.85Å; V127-E398 HydrophobicContact CG2-CG 4.33Å; E130-E398 HydrophobicContact CB-CB 4.23Å; E130-E398 WeakPolarHBondContact OE2-CA 3.49Å; E130-E398 WeakPolarHBondContact OE2-CB 3.32Å; E130-E398 PolarHBondContact OE2-N 3.08Å; L321-E398 WeakPolarHBondContact CA-OE1 3.27Å; L321-E398 WeakPolarHBondContact CB-OE1 3.36Å; L321-E398 HydrophobicContact CD2-CG 4.02Å; C322-E398 VanDerWaalsContact C-OE1 3.27Å; C322-E398 WeakPolarHBondContact CA-OE1 3.23Å; C322-E398 PolarHBondContact N-OE1 3.31Å; E398-V400 PolarHBondContact O-N 2.97Å; E398-V400 VanDerWaalsContact O-N 3.11Å; E398-L401 WeakPolarHBondContact O-CA 3.31Å; E398-L401 WeakPolarHBondContact O-CB 3.38Å; E398-L401 PolarHBondContact O-N 2.88Å; E398-R472 IonicContact OE1-NH2 2.65Å
399R95.3Very high93Very high56 Ų5627.1 Ų27.121%0.21114%0.136CC..G310 helixtrans-54.7-29.6176.563.3-175.9-176.4-96.811.1114.3E130 A131 E140 A397 L401 Y402E130-R399 HydrophobicContact CB-CB 4.47Å; E130-R399 HydrophobicContact CG-CB 3.97Å; E130-R399 HydrophobicContact CG-CG 4.46Å; E130-R399 IonicContact OE1-CZ 3.83Å; E130-R399 IonicContact OE1-NE 3.97Å; E130-R399 IonicContact OE1-NH1 3.71Å; E130-R399 PolarHBondContact OE1-NH1 3.5Å; E130-R399 PolarHBondContact OE2-N 3.46Å; A131-R399 HydrophobicContact CB-CB 4.45Å; E140-R399 HydrophobicContact CG-CB 4.11Å; E140-R399 WeakPolarHBondContact CG-O 3.38Å; A397-R399 VanDerWaalsContact C-N 3.34Å; A397-R399 HydrophobicContact CB-CG 4.27Å; A397-R399 PolarHBondContact O-N 3.05Å; R399-L401 VanDerWaalsContact C-N 3.25Å; R399-L401 PolarHBondContact O-N 3.42Å; R399-Y402 WeakPolarHBondContact O-CB 3.2Å; R399-Y402 PolarHBondContact O-N 2.91Å
400V94.6Very high93.6Very high10 Ų1020.5 Ų20.56%0.06111%0.108CC..G310 helixtrans-68.6-27.7176.7168.30000111.9Q188 F382 A385 F394 A397 E398 Y402 P404Q188-V400 PolarHBondContact NE2-O 3.3Å; F382-V400 HydrophobicContact CD2-CG1 4.01Å; F382-V400 HydrophobicContact CE2-CG1 4.21Å; A385-V400 HydrophobicContact CB-CB 4.37Å; A385-V400 HydrophobicContact CB-CG1 3.29Å; A385-V400 HydrophobicContact CB-CG2 4.2Å; F394-V400 HydrophobicContact CE2-CG2 3.87Å; F394-V400 HydrophobicContact CZ-CG2 3.67Å; A397-V400 HydrophobicContact CB-CG2 4Å; A397-V400 WeakPolarHBondContact O-CB 3.37Å; A397-V400 PolarHBondContact O-N 2.91Å; E398-V400 PolarHBondContact O-N 2.97Å; E398-V400 VanDerWaalsContact O-N 3.11Å; V400-Y402 VanDerWaalsContact C-N 3.27Å; V400-Y402 PolarHBondContact O-N 3.11Å; V400-P404 WeakPolarHBondContact O-CD 3.21Å; V400-P404 WeakPolarHBondContact O-CG 3.49Å
401L97.5Very high94.3Very high3 Ų315.1 Ų15.12%0.0169%0.085CC..G310 helixtrans-79.8-5178.8-59.9177.7000113.5V127 N311 L314 L315 F382 E398 R399 S405V127-L401 HydrophobicContact CG2-CB 4.22Å; V127-L401 HydrophobicContact CG2-CD1 4Å; N311-L401 HydrophobicContact CB-CD1 4.26Å; N311-L401 HydrophobicContact CB-CD2 3.89Å; N311-L401 WeakPolarHBondContact OD1-CD2 3.24Å; L314-L401 HydrophobicContact CB-CD1 4Å; L314-L401 HydrophobicContact CD1-CD1 4.18Å; L315-L401 HydrophobicContact CD2-CB 4.25Å; L315-L401 HydrophobicContact CG-CD1 4.44Å; F382-L401 HydrophobicContact CD2-CD2 4.02Å; F382-L401 HydrophobicContact CE2-CD2 3.93Å; E398-L401 WeakPolarHBondContact O-CA 3.31Å; E398-L401 WeakPolarHBondContact O-CB 3.38Å; E398-L401 PolarHBondContact O-N 2.88Å; R399-L401 VanDerWaalsContact C-N 3.25Å; R399-L401 PolarHBondContact O-N 3.42Å; L401-S405 WeakPolarHBondContact O-CB 3.49Å; L401-S405 PolarHBondContact O-N 3.16Å; L401-S405 PolarHBondContact O-OG 3.16Å
402Y98.5Very high94.8Very high0 Ų015 Ų150%08%0.081CC..THydrogen-bonded Turntrans-56-59.9178.4-170.9-101000112.2H95 V98 F122 H128 A131 V132 E140 L141 S144 R399 V400 S405H95-Y402 AromaticContact CE1-CE2 3.84Å; H95-Y402 AromaticContact ND1-CE2 3.57Å; H95-Y402 AromaticContact ND1-CZ 3.61Å; H95-Y402 PolarHBondContact ND1-OH 2.93Å; V98-Y402 WeakPolarHBondContact CB-OH 3.34Å; V98-Y402 HydrophobicContact CG1-CE1 4.02Å; V98-Y402 WeakPolarHBondContact CG1-OH 3.31Å; V98-Y402 HydrophobicContact CG2-CE1 4.48Å; F122-Y402 HydrophobicContact CE1-CE2 4.49Å; F122-Y402 HydrophobicContact CZ-CE1 4.24Å; F122-Y402 HydrophobicContact CZ-CE2 4.02Å; F122-Y402 AromaticContact CZ-CZ 3.78Å; H128-Y402 HydrophobicContact CB-CD2 3.9Å; H128-Y402 HydrophobicContact CB-CE2 3.95Å; H128-Y402 AromaticContact CD2-CD2 3.48Å; H128-Y402 VanDerWaalsContact CD2-CD2 3.48Å; H128-Y402 WeakPolarHBondContact CD2-CD2 3.43Å; H128-Y402 AromaticContact CD2-CE2 3.98Å; H128-Y402 AromaticContact CG-CD2 3.55Å; H128-Y402 AromaticContact CG-CE2 3.63Å; H128-Y402 AromaticContact ND1-CE2 3.71Å; H128-Y402 AromaticContact NE2-CD2 3.97Å; A131-Y402 HydrophobicContact CB-CD2 3.68Å; A131-Y402 HydrophobicContact CB-CE2 4.41Å; A131-Y402 HydrophobicContact CB-CG 3.9Å; V132-Y402 HydrophobicContact CG2-CE2 4.3Å; E140-Y402 HydrophobicContact CB-CD1 4.27Å; E140-Y402 HydrophobicContact CB-CG 4.5Å; L141-Y402 HydrophobicContact CD2-CE1 3.79Å; L141-Y402 HydrophobicContact CD2-CE2 4.01Å; L141-Y402 VanDerWaalsContact CD2-CZ 3.5Å; S144-Y402 WeakPolarHBondContact OG-CD1 3.26Å; R399-Y402 WeakPolarHBondContact O-CB 3.2Å; R399-Y402 PolarHBondContact O-N 2.91Å; V400-Y402 VanDerWaalsContact C-N 3.27Å; V400-Y402 PolarHBondContact O-N 3.11Å; Y402-S405 PolarHBondContact O-N 3.16Å; Y402-S405 PolarHBondContact O-OG 3.46Å
403T98.2Very high95.3Very high1 Ų113.7 Ų13.71%0.0067%0.073CC..THydrogen-bonded Turntrans-67.7-44.8177.6-45.60000113S144 F147 P381 S405 L406S144-T403 PolarHBondContact OG-OG1 2.97Å; S144-T403 VanDerWaalsContact OG-OG1 3.09Å; F147-T403 HydrophobicContact CD1-CG2 4.23Å; F147-T403 HydrophobicContact CD2-CG2 4.44Å; F147-T403 HydrophobicContact CE1-CG2 4.04Å; F147-T403 HydrophobicContact CE2-CG2 4.24Å; F147-T403 HydrophobicContact CG-CG2 4.43Å; F147-T403 HydrophobicContact CZ-CG2 4.02Å; P381-T403 HydrophobicContact CB-CG2 3.78Å; P381-T403 HydrophobicContact CG-CG2 3.81Å; T403-S405 PolarHBondContact O-N 3.48Å; T403-L406 HydrophobicContact CG2-CD1 3.79Å; T403-L406 WeakPolarHBondContact O-CB 3.45Å; T403-L406 WeakPolarHBondContact O-CD1 3.49Å; T403-L406 VanDerWaalsContact O-CG 3.23Å; T403-L406 WeakPolarHBondContact O-CG 3.49Å; T403-L406 PolarHBondContact O-N 3.35Å
404P98.4Very high95.9Very high2 Ų212.7 Ų12.71%0.0136%0.061CC..Hα-helixtrans-54.1-33.9174.1-29.936.8000114.9L377 L378 P381 F382 V400 L406 G407 F408L377-P404 WeakPolarHBondContact O-CA 3.09Å; L378-P404 HydrophobicContact CD1-CB 4.32Å; L378-P404 WeakPolarHBondContact CD1-O 3.47Å; P381-P404 HydrophobicContact CB-CG 4.19Å; F382-P404 HydrophobicContact CB-CB 4.45Å; F382-P404 HydrophobicContact CB-CG 3.91Å; F382-P404 HydrophobicContact CD2-CG 4.39Å; V400-P404 WeakPolarHBondContact O-CD 3.21Å; V400-P404 WeakPolarHBondContact O-CG 3.49Å; P404-L406 PolarHBondContact O-N 3.28Å; P404-G407 PolarHBondContact O-N 3.15Å; P404-F408 PolarHBondContact O-N 3.32Å
405S98.5Very high96.3Very high0 Ų011.1 Ų11.10%06%0.062CC..Hα-helixtrans-65.9-18.3179.473.70000113.6F122 H128 L401 Y402 T403 G407 F408 C409F122-S405 VanDerWaalsContact CE2-OG 3.23Å; F122-S405 WeakPolarHBondContact CE2-OG 3.32Å; H128-S405 PolarHBondContact NE2-OG 3.34Å; L401-S405 WeakPolarHBondContact O-CB 3.49Å; L401-S405 PolarHBondContact O-N 3.16Å; L401-S405 PolarHBondContact O-OG 3.16Å; Y402-S405 PolarHBondContact O-N 3.16Å; Y402-S405 PolarHBondContact O-OG 3.46Å; T403-S405 PolarHBondContact O-N 3.48Å; S405-G407 VanDerWaalsContact C-N 3.27Å; S405-G407 PolarHBondContact O-N 3.37Å; S405-F408 PolarHBondContact O-N 3.49Å; S405-C409 WeakPolarHBondContact O-CB 3.34Å; S405-C409 PolarHBondContact O-N 3.44Å; S405-C409 PolarHBondContact O-SG 3.28Å; S405-C409 VanDerWaalsContact O-SG 3.36Å
406L98.7Very high96.6Very high1 Ų111.1 Ų11.11%0.0056%0.061CC..Hα-helixtrans-57.2-45.1169.6-63166.2000110.4F102 F122 L148 L377 T403 P404 L410F102-L406 HydrophobicContact CB-CD2 3.84Å; F102-L406 HydrophobicContact CD1-CD2 4.21Å; F102-L406 HydrophobicContact CD2-CB 4.15Å; F102-L406 HydrophobicContact CD2-CD2 3.36Å; F102-L406 HydrophobicContact CD2-CG 4.34Å; F102-L406 HydrophobicContact CE2-CB 3.9Å; F102-L406 HydrophobicContact CE2-CD2 3.9Å; F102-L406 VanDerWaalsContact CE2-O 3.29Å; F102-L406 WeakPolarHBondContact CE2-O 3.42Å; F102-L406 HydrophobicContact CG-CD2 3.53Å; F102-L406 VanDerWaalsContact CZ-O 3.23Å; F102-L406 WeakPolarHBondContact CZ-O 3.42Å; F122-L406 HydrophobicContact CD2-CD2 3.88Å; F122-L406 HydrophobicContact CD2-CG 4.44Å; F122-L406 HydrophobicContact CE1-CD2 4.16Å; F122-L406 HydrophobicContact CE2-CD2 3.33Å; F122-L406 HydrophobicContact CE2-CG 3.74Å; F122-L406 HydrophobicContact CG-CD2 4.49Å; F122-L406 HydrophobicContact CZ-CD2 3.51Å; F122-L406 HydrophobicContact CZ-CG 4.2Å; L148-L406 HydrophobicContact CD1-CD1 4.42Å; L148-L406 HydrophobicContact CD1-CD2 4.28Å; L148-L406 HydrophobicContact CD2-CD1 4.07Å; L148-L406 HydrophobicContact CG-CD1 4.33Å; L377-L406 HydrophobicContact CD1-CB 4.42Å; T403-L406 HydrophobicContact CG2-CD1 3.79Å; T403-L406 WeakPolarHBondContact O-CB 3.45Å; T403-L406 WeakPolarHBondContact O-CD1 3.49Å; T403-L406 VanDerWaalsContact O-CG 3.23Å; T403-L406 WeakPolarHBondContact O-CG 3.49Å; T403-L406 PolarHBondContact O-N 3.35Å; P404-L406 PolarHBondContact O-N 3.28Å; L406-L410 WeakPolarHBondContact O-CB 3.42Å; L406-L410 PolarHBondContact O-N 3.02Å; L406-L410 VanDerWaalsContact O-N 3.08Å
407G98.5Very high96.6Very high0 Ų011 Ų110%06%0.06CC..Hα-helixtrans-67.9-43177.300000112.1A374 P404 S405 L410 L411A374-G407 WeakPolarHBondContact O-CA 3.38Å; P404-G407 PolarHBondContact O-N 3.15Å; S405-G407 VanDerWaalsContact C-N 3.27Å; S405-G407 PolarHBondContact O-N 3.37Å; G407-L410 PolarHBondContact O-N 2.65Å; G407-L411 WeakPolarHBondContact O-CG 3.39Å; G407-L411 PolarHBondContact O-N 3.4Å
408F98.5Very high96.5Very high24 Ų2413.9 Ų13.911%0.1058%0.075CC..Hα-helixtrans-58-53.3175174.7-104.4000112.2H125 L315 I316 L378 P404 S405 L410 L411 I412H125-F408 AromaticContact NE2-CE1 3.88Å; L315-F408 HydrophobicContact CB-CD1 4.09Å; L315-F408 HydrophobicContact CB-CD2 4.07Å; L315-F408 HydrophobicContact CB-CE1 4.1Å; L315-F408 HydrophobicContact CB-CE2 4.08Å; L315-F408 HydrophobicContact CB-CG 4.07Å; L315-F408 HydrophobicContact CB-CZ 4.1Å; L315-F408 HydrophobicContact CD1-CB 4.05Å; L315-F408 HydrophobicContact CD1-CD2 4.37Å; L315-F408 HydrophobicContact CD1-CG 4.16Å; L315-F408 HydrophobicContact CD2-CD1 4.48Å; L315-F408 WeakPolarHBondContact O-CE1 3.27Å; L315-F408 WeakPolarHBondContact O-CZ 3.37Å; I316-F408 HydrophobicContact CG1-CE2 3.97Å; I316-F408 HydrophobicContact CG1-CZ 4.27Å; L378-F408 HydrophobicContact CD1-CB 4.28Å; P404-F408 PolarHBondContact O-N 3.32Å; S405-F408 PolarHBondContact O-N 3.49Å; F408-L410 VanDerWaalsContact C-N 3.28Å; F408-L410 PolarHBondContact O-N 3.39Å; F408-L411 WeakPolarHBondContact O-CB 3.42Å; F408-L411 PolarHBondContact O-N 2.7Å; F408-L411 VanDerWaalsContact O-N 3.11Å; F408-I412 HydrophobicContact CE1-CG1 4.17Å; F408-I412 HydrophobicContact CE2-CD1 4.14Å; F408-I412 HydrophobicContact CE2-CG1 4.23Å; F408-I412 HydrophobicContact CZ-CD1 4.13Å; F408-I412 HydrophobicContact CZ-CG1 4.01Å; F408-I412 WeakPolarHBondContact O-CG1 3.36Å; F408-I412 PolarHBondContact O-N 2.82Å
409C98.5Very high96.2Very high0 Ų018.3 Ų18.30%010%0.098CC..Hα-helixtrans-63-34.8-179.9-67.80000112.2F102 F122 S405 I412 G413F102-C409 HydrophobicContact CE1-CB 4.02Å; F102-C409 HydrophobicContact CZ-CB 3.98Å; F122-C409 HydrophobicContact CB-CB 4.05Å; S405-C409 WeakPolarHBondContact O-CB 3.34Å; S405-C409 PolarHBondContact O-N 3.44Å; S405-C409 PolarHBondContact O-SG 3.28Å; S405-C409 VanDerWaalsContact O-SG 3.36Å; C409-I412 PolarHBondContact O-N 3.13Å; C409-G413 PolarHBondContact O-N 3.19Å
410L98.6Very high95.9Very high1 Ų115.7 Ų15.71%0.0059%0.088CC..Hα-helixtrans-65-40.1174-177.760.6000112.1F102 L110 M373 A374 L377 L406 G407 F408 G413 L414F102-L410 HydrophobicContact CE2-CB 4.47Å; F102-L410 HydrophobicContact CZ-CB 4.32Å; L110-L410 HydrophobicContact CD1-CD1 3.64Å; L110-L410 HydrophobicContact CG-CD1 3.85Å; M373-L410 HydrophobicContact CB-CD2 4.3Å; M373-L410 HydrophobicContact CG-CD2 3.97Å; A374-L410 HydrophobicContact CB-CB 3.95Å; A374-L410 HydrophobicContact CB-CD2 3.75Å; A374-L410 HydrophobicContact CB-CG 3.8Å; L377-L410 HydrophobicContact CD1-CD2 4.14Å; L406-L410 WeakPolarHBondContact O-CB 3.42Å; L406-L410 PolarHBondContact O-N 3.02Å; L406-L410 VanDerWaalsContact O-N 3.08Å; G407-L410 PolarHBondContact O-N 2.65Å; F408-L410 VanDerWaalsContact C-N 3.28Å; F408-L410 PolarHBondContact O-N 3.39Å; L410-G413 PolarHBondContact O-N 3.34Å; L410-L414 PolarHBondContact O-N 3.23Å
411L97.9Very high95Very high24 Ų2415.9 Ų15.913%0.1269%0.092CC..Hα-helixtrans-62.9-44.1173.6-74.6173000111.9L354 V371 A374 L378 G407 F408 G413 L414 G415L354-L411 HydrophobicContact CD1-CD1 3.66Å; L354-L411 HydrophobicContact CD1-CD2 4.39Å; L354-L411 HydrophobicContact CD2-CD2 4.09Å; V371-L411 HydrophobicContact CG1-CD2 4.48Å; V371-L411 HydrophobicContact CG2-CD2 4.4Å; A374-L411 HydrophobicContact CB-CD2 3.64Å; A374-L411 HydrophobicContact CB-CG 3.58Å; L378-L411 HydrophobicContact CD2-CD1 4.38Å; G407-L411 WeakPolarHBondContact O-CG 3.39Å; G407-L411 PolarHBondContact O-N 3.4Å; F408-L411 WeakPolarHBondContact O-CB 3.42Å; F408-L411 PolarHBondContact O-N 2.7Å; F408-L411 VanDerWaalsContact O-N 3.11Å; L411-G413 VanDerWaalsContact C-N 3.3Å; L411-G413 PolarHBondContact O-N 3.17Å; L411-L414 PolarHBondContact O-N 3.41Å; L411-G415 PolarHBondContact O-N 3.23Å
412I97Very high93.6Very high56 Ų5617.9 Ų17.929%0.28710%0.102SC..Hα-helixtrans-63.1-40.8177.1-58.2-60.2000110.4F117 L121 F408 C409 L414 G415 F416 M458F117-I412 HydrophobicContact CE1-CG2 3.97Å; F117-I412 HydrophobicContact CZ-CG2 4.36Å; L121-I412 HydrophobicContact CD2-CB 3.94Å; L121-I412 HydrophobicContact CD2-CG1 4.26Å; L121-I412 HydrophobicContact CD2-CG2 3.74Å; F408-I412 HydrophobicContact CE1-CG1 4.17Å; F408-I412 HydrophobicContact CE2-CD1 4.14Å; F408-I412 HydrophobicContact CE2-CG1 4.23Å; F408-I412 HydrophobicContact CZ-CD1 4.13Å; F408-I412 HydrophobicContact CZ-CG1 4.01Å; F408-I412 WeakPolarHBondContact O-CG1 3.36Å; F408-I412 PolarHBondContact O-N 2.82Å; C409-I412 PolarHBondContact O-N 3.13Å; I412-L414 PolarHBondContact O-N 3.39Å; I412-G415 PolarHBondContact O-N 2.63Å; I412-F416 WeakPolarHBondContact O-CB 3.42Å; I412-F416 PolarHBondContact O-N 3.29Å; I412-M458 HydrophobicContact CG2-CE 3.33Å
413G96.7Very high91.9Very high0 Ų025.9 Ų25.90%014%0.137CC..Hα-helixtrans-56.6-45.6172.400000114.4S118 C409 L410 L411 F416 E417S118-G413 WeakPolarHBondContact OG-CA 3.43Å; C409-G413 PolarHBondContact O-N 3.19Å; L410-G413 PolarHBondContact O-N 3.34Å; L411-G413 VanDerWaalsContact C-N 3.3Å; L411-G413 PolarHBondContact O-N 3.17Å; G413-F416 PolarHBondContact O-N 3.32Å; G413-E417 PolarHBondContact O-N 2.96Å
414L95.7Very high89.6Confident7 Ų729 Ų294%0.03715%0.151CC..Hα-helixtrans-64.2-42.4176-176.764.9000111.7L110 Q367 A370 V371 L410 L411 I412 E417 N418L110-L414 HydrophobicContact CD2-CB 3.95Å; L110-L414 HydrophobicContact CD2-CD1 3.96Å; Q367-L414 HydrophobicContact CG-CD1 4.35Å; A370-L414 HydrophobicContact CB-CD1 3.92Å; A370-L414 HydrophobicContact CB-CD2 3.85Å; A370-L414 HydrophobicContact CB-CG 4.4Å; V371-L414 HydrophobicContact CG2-CD2 3.47Å; V371-L414 VanDerWaalsContact CG2-CD2 3.47Å; L410-L414 PolarHBondContact O-N 3.23Å; L411-L414 PolarHBondContact O-N 3.41Å; I412-L414 PolarHBondContact O-N 3.39Å; L414-E417 PolarHBondContact O-N 3.31Å; L414-N418 WeakPolarHBondContact O-CB 3.32Å; L414-N418 PolarHBondContact O-N 3.35Å; L414-N418 PolarHBondContact O-ND2 3.05Å
415G94Very high87.2Confident28 Ų2834.8 Ų34.829%0.28919%0.186SC..Hα-helixtrans-58.9-46.2174.400000112.1L411 I412 E417 N418 L419L411-G415 PolarHBondContact O-N 3.23Å; I412-G415 PolarHBondContact O-N 2.63Å; G415-E417 PolarHBondContact O-N 3.22Å; G415-N418 PolarHBondContact O-N 3.23Å; G415-L419 WeakPolarHBondContact O-CB 3.44Å; G415-L419 VanDerWaalsContact O-CG 3.32Å; G415-L419 WeakPolarHBondContact O-CG 3.39Å; G415-L419 PolarHBondContact O-N 2.88Å
416F94.2Very high84.4Confident11 Ų1140.2 Ų40.25%0.04821%0.211CC..Hα-helixtrans-59.8-44.4175.9179.3-108.4000112.2E113 F117 I412 G413 N418 L419 L420 L454 R455 M458E113-F416 HydrophobicContact CG-CE1 4.43Å; F117-F416 HydrophobicContact CB-CD1 4.33Å; F117-F416 HydrophobicContact CB-CE1 4.28Å; F117-F416 HydrophobicContact CD1-CB 4.16Å; F117-F416 AromaticContact CD1-CD1 3.98Å; F117-F416 HydrophobicContact CD1-CD1 3.98Å; F117-F416 HydrophobicContact CD1-CG 4.08Å; F117-F416 HydrophobicContact CE1-CB 4.34Å; F117-F416 HydrophobicContact CG-CD1 4.13Å; F117-F416 HydrophobicContact CG-CE1 4.29Å; F117-F416 HydrophobicContact CG-CG 4.49Å; I412-F416 WeakPolarHBondContact O-CB 3.42Å; I412-F416 PolarHBondContact O-N 3.29Å; G413-F416 PolarHBondContact O-N 3.32Å; F416-N418 PolarHBondContact O-N 3.18Å; F416-L419 PolarHBondContact O-N 3.01Å; F416-L420 HydrophobicContact CD1-CD1 3.95Å; F416-L420 HydrophobicContact CE1-CD1 3.43Å; F416-L420 VanDerWaalsContact CE1-CD1 3.43Å; F416-L420 HydrophobicContact CE1-CG 4.37Å; F416-L420 HydrophobicContact CE2-CD1 4.2Å; F416-L420 HydrophobicContact CE2-CG 4.37Å; F416-L420 HydrophobicContact CZ-CD1 3.58Å; F416-L420 HydrophobicContact CZ-CG 4.22Å; F416-L420 WeakPolarHBondContact O-CG 3.04Å; F416-L420 PolarHBondContact O-N 3.32Å; F416-L454 HydrophobicContact CD2-CD2 3.95Å; F416-L454 HydrophobicContact CD2-CG 4Å; F416-L454 HydrophobicContact CE2-CD2 4.03Å; F416-L454 HydrophobicContact CE2-CG 3.89Å; F416-R455 HydrophobicContact CZ-CG 4.13Å; F416-M458 HydrophobicContact CD2-CB 4.46Å; F416-M458 HydrophobicContact CD2-CG 4.2Å; F416-M458 HydrophobicContact CE2-CB 4.16Å; F416-M458 HydrophobicContact CE2-CG 4.34Å
417E92.3Very high81.3Confident2 Ų246.7 Ų46.71%0.00925%0.251CS..Hα-helixtrans-60.3-46.5176.1-172.1162.912600112.7Q111 S114 H366 G413 L414 G415 L419 L420 G421 L422Q111-E417 VanDerWaalsContact CB-OE2 3.31Å; Q111-E417 WeakPolarHBondContact CB-OE2 3.39Å; Q111-E417 WeakPolarHBondContact CG-OE2 3.21Å; Q111-E417 PolarHBondContact N-OE2 3.27Å; S114-E417 WeakPolarHBondContact CB-OE2 3.38Å; S114-E417 VanDerWaalsContact OG-CB 3.3Å; S114-E417 WeakPolarHBondContact OG-CB 3.39Å; S114-E417 PolarHBondContact OG-OE2 3.42Å; H366-E417 IonicContact CE1-OE1 3.08Å; H366-E417 PolarHBondContact CE1-OE1 3.42Å; H366-E417 IonicContact ND1-OE1 3.38Å; H366-E417 IonicContact NE2-OE1 3.9Å; G413-E417 PolarHBondContact O-N 2.96Å; L414-E417 PolarHBondContact O-N 3.31Å; G415-E417 PolarHBondContact O-N 3.22Å; E417-L419 PolarHBondContact O-N 3.46Å; E417-L420 PolarHBondContact O-N 2.9Å; E417-G421 PolarHBondContact O-N 3.29Å; E417-L422 HydrophobicContact CG-CB 4.18Å; E417-L422 HydrophobicContact CG-CD1 4.37Å; E417-L422 PolarHBondContact O-N 3.3Å
418N90.1Very high78.1Confident66 Ų6655.4 Ų55.435%0.35329%0.289SS..Hα-helixtrans-62.9-42.7-180-71.2-20.6000111.2Q367 L414 G415 F416 G421Q367-N418 PolarHBondContact NE2-OD1 3.37Å; L414-N418 WeakPolarHBondContact O-CB 3.32Å; L414-N418 PolarHBondContact O-N 3.35Å; L414-N418 PolarHBondContact O-ND2 3.05Å; G415-N418 PolarHBondContact O-N 3.23Å; F416-N418 PolarHBondContact O-N 3.18Å; N418-G421 PolarHBondContact O-N 3.13Å; N418-G421 VanDerWaalsContact O-N 3.07Å
419L89.3Confident74.6Confident93 Ų9360 Ų6049%0.48732%0.319SS..Hα-helixtrans-68.1-32.8177.5-71.6172.7000112.6G415 F416 E417 G421 N446 L454G415-L419 WeakPolarHBondContact O-CB 3.44Å; G415-L419 VanDerWaalsContact O-CG 3.32Å; G415-L419 WeakPolarHBondContact O-CG 3.39Å; G415-L419 PolarHBondContact O-N 2.88Å; F416-L419 PolarHBondContact O-N 3.01Å; E417-L419 PolarHBondContact O-N 3.46Å; L419-G421 PolarHBondContact O-N 2.88Å; L419-N446 PolarHBondContact O-ND2 3.28Å; L419-L454 HydrophobicContact CB-CD2 3.55Å; L419-L454 HydrophobicContact CD1-CD1 4.07Å
420L87.6Confident71Confident0 Ų068.9 Ų68.90%036%0.363CS..Hα-helixtrans-69.4-19.4171.7-73.4176.4000112.4F416 E417 L422 R451 L454F416-L420 HydrophobicContact CD1-CD1 3.95Å; F416-L420 HydrophobicContact CE1-CD1 3.43Å; F416-L420 VanDerWaalsContact CE1-CD1 3.43Å; F416-L420 HydrophobicContact CE1-CG 4.37Å; F416-L420 HydrophobicContact CE2-CD1 4.2Å; F416-L420 HydrophobicContact CE2-CG 4.37Å; F416-L420 HydrophobicContact CZ-CD1 3.58Å; F416-L420 HydrophobicContact CZ-CG 4.22Å; F416-L420 WeakPolarHBondContact O-CG 3.04Å; F416-L420 PolarHBondContact O-N 3.32Å; E417-L420 PolarHBondContact O-N 2.9Å; L420-L422 VanDerWaalsContact C-N 3.26Å; L420-L422 HydrophobicContact CB-CD1 4.11Å; L420-L422 HydrophobicContact CB-CD2 4.37Å; L420-L422 HydrophobicContact CB-CG 3.7Å; L420-L422 HydrophobicContact CD1-CD1 3.74Å; L420-L422 HydrophobicContact CD1-CG 4.22Å; L420-L422 PolarHBondContact O-N 3.03Å; L420-R451 HydrophobicContact CD2-CB 3.93Å; L420-R451 HydrophobicContact CD2-CG 4.02Å; L420-R451 PolarHBondContact O-NE 3.27Å; L420-R451 PolarHBondContact O-NH2 3.34Å; L420-L454 HydrophobicContact CD2-CD2 3.82Å; L420-L454 HydrophobicContact CG-CD2 3.88Å
421G77.5Confident67.5Low14 Ų1474.5 Ų74.514%0.14440%0.397CS..THydrogen-bonded Turntrans63.734.7-174.200000111.8E417 N418 L419 R451E417-G421 PolarHBondContact O-N 3.29Å; N418-G421 PolarHBondContact O-N 3.13Å; N418-G421 VanDerWaalsContact O-N 3.07Å; L419-G421 PolarHBondContact O-N 2.88Å; G421-R451 PolarHBondContact O-NH2 3.03Å
422L67.9Low64Low45 Ų4581.5 Ų81.524%0.23644%0.435CS..  trans-73.2127.2175.4-60.6173.1000108.8Q111 E417 L420 F424Q111-L422 VanDerWaalsContact NE2-CB 3.29Å; E417-L422 HydrophobicContact CG-CB 4.18Å; E417-L422 HydrophobicContact CG-CD1 4.37Å; E417-L422 PolarHBondContact O-N 3.3Å; L420-L422 VanDerWaalsContact C-N 3.26Å; L420-L422 HydrophobicContact CB-CD1 4.11Å; L420-L422 HydrophobicContact CB-CD2 4.37Å; L420-L422 HydrophobicContact CB-CG 3.7Å; L420-L422 HydrophobicContact CD1-CD1 3.74Å; L420-L422 HydrophobicContact CD1-CG 4.22Å; L420-L422 PolarHBondContact O-N 3.03Å; L422-F424 PolarHBondContact O-N 3.22Å
423K61.7Low60.7Low168 Ų16883.9 Ų83.973%0.7346%0.457SS*.  trans-73.8115.8172.9-74-174.4177.7-177.90109Q111 V425Q111-K423 PolarHBondContact NE2-O 3.47Å; K423-V425 PolarHBondContact O-N 3.2Å; K423-V425 VanDerWaalsContact O-N 3.1Å
424F50.4Low57.3Low68 Ų6894 Ų9430%0.29850%0.5SS..  trans-66.2109.5171.7-171.5-99.4000109.7Q111 H366 L422 Q426Q111-F424 HydrophobicContact CG-CD2 3.92Å; H366-F424 HydrophobicContact CB-CB 4.4Å; H366-F424 HydrophobicContact CB-CD1 3.96Å; H366-F424 HydrophobicContact CB-CG 4.23Å; H366-F424 AromaticContact CD2-CD1 3.28Å; H366-F424 WeakPolarHBondContact CD2-CD1 3.41Å; H366-F424 AromaticContact CD2-CD2 3.32Å; H366-F424 WeakPolarHBondContact CD2-CD2 3.43Å; H366-F424 AromaticContact CD2-CE1 3.32Å; H366-F424 WeakPolarHBondContact CD2-CE1 3.34Å; H366-F424 AromaticContact CD2-CE2 3.37Å; H366-F424 WeakPolarHBondContact CD2-CE2 3.45Å; H366-F424 AromaticContact CD2-CG 3.27Å; H366-F424 WeakPolarHBondContact CD2-CG 3.3Å; H366-F424 AromaticContact CD2-CZ 3.36Å; H366-F424 WeakPolarHBondContact CD2-CZ 3.45Å; H366-F424 AromaticContact CE1-CD2 3.5Å; H366-F424 AromaticContact CE1-CG 3.8Å; H366-F424 AromaticContact CG-CD1 3.6Å; H366-F424 AromaticContact CG-CD2 3.92Å; H366-F424 AromaticContact CG-CG 3.5Å; H366-F424 AromaticContact ND1-CG 3.84Å; H366-F424 AromaticContact NE2-CD1 3.94Å; H366-F424 AromaticContact NE2-CD2 3Å; H366-F424 WeakPolarHBondContact NE2-CD2 3.43Å; H366-F424 AromaticContact NE2-CE1 3.99Å; H366-F424 AromaticContact NE2-CE2 3.08Å; H366-F424 WeakPolarHBondContact NE2-CE2 3.4Å; H366-F424 AromaticContact NE2-CG 3.46Å; H366-F424 WeakPolarHBondContact NE2-CG 3.41Å; H366-F424 AromaticContact NE2-CZ 3.59Å; L422-F424 PolarHBondContact O-N 3.22Å; F424-Q426 HydrophobicContact CD1-CB 4.22Å; F424-Q426 HydrophobicContact CE1-CB 3.93Å; F424-Q426 HydrophobicContact CE1-CG 4.2Å; F424-Q426 PolarHBondContact O-N 2.94Å
425V47.9Very low54Low123 Ų12398.8 Ų98.875%0.74554%0.535SS*.  trans-88.198.7170.4-179.50000106.8K423 T427K423-V425 PolarHBondContact O-N 3.2Å; K423-V425 VanDerWaalsContact O-N 3.1Å; V425-T427 PolarHBondContact O-N 3.44Å
426Q40.4Very low50.8Low114 Ų114103.2 Ų103.253%0.53356%0.561SS.*  trans-62.8122.5167.7-1621708.500107.5F424 K428F424-Q426 HydrophobicContact CD1-CB 4.22Å; F424-Q426 HydrophobicContact CE1-CB 3.93Å; F424-Q426 HydrophobicContact CE1-CG 4.2Å; F424-Q426 PolarHBondContact O-N 2.94Å; Q426-K428 PolarHBondContact O-N 2.83Å
427T32.2Very low47.5Very low136 Ų136110.5 Ų110.583%0.83460%0.595SS**  trans-58.9102.9169.4320000107.7V425 T429V425-T427 PolarHBondContact O-N 3.44Å; T427-T429 PolarHBondContact O-N 3.39Å
428K31.3Very low44.5Very low184 Ų184116.3 Ų116.380%0.863%0.631SS**  trans-55.9119.7-179.9-93.4179.9170.9-178.60109.8Q426Q426-K428 PolarHBondContact O-N 2.83Å
429T26.3Very low41.4Very low121 Ų121121.7 Ų121.774%0.74265%0.651SS**  trans-56.9128.9143.941.70000107.9T427 T431T427-T429 PolarHBondContact O-N 3.39Å; T429-T431 PolarHBondContact O-N 3.01Å
430M22.5Very low38.3Very low185 Ų185127 Ų12791%0.91167%0.67SS**  trans-58.297.6178.6-76.7-74.3-177.300110.8
431T25.5Very low35.8Very low119 Ų119134.2 Ų134.273%0.7370%0.702SS**  trans-132111.5156.654.70000108.2T429 S433T429-T431 PolarHBondContact O-N 3.01Å; T431-S433 PolarHBondContact O-N 3.44Å
432N23.7Very low33.6Very low172 Ų172139.5 Ų139.592%0.9274%0.735SS**  trans-51.4117.8170.3-85.3-26.1000110.2
433S27.6Very low32.3Very low106 Ų106140 Ų14074%0.74174%0.742SS**  trans-163.1132.4141.8-166.50000110.5T431 S435T431-S433 PolarHBondContact O-N 3.44Å; S433-S435 PolarHBondContact O-N 3.12Å
434K24.5Very low31.5Very low211 Ų211139.2 Ų139.292%0.91774%0.739SS**  trans-74.7109.8174.2-70.2170.3173175.60108.2
435S27.8Very low31.4Very low108 Ų108145.4 Ų145.476%0.75577%0.766SS**  trans-152.295155.765.50000109.4S433 E437S433-S435 PolarHBondContact O-N 3.12Å; S435-E437 VanDerWaalsContact C-N 3.33Å; S435-E437 PolarHBondContact O-N 3.48Å; S435-E437 VanDerWaalsContact O-N 3.11Å
436S25.4Very low31.9Very low122 Ų122141.1 Ų141.185%0.85374%0.739SS**  trans-73.88117148.20000110.2
437E25.5Very low33.3Very low163 Ų163137.8 Ų137.876%0.76274%0.735SS**  trans-140.881.1157-83.8-159.7158.800108.8S435 K439S435-E437 VanDerWaalsContact C-N 3.33Å; S435-E437 PolarHBondContact O-N 3.48Å; S435-E437 VanDerWaalsContact O-N 3.11Å; E437-K439 PolarHBondContact O-N 3.31Å
438V29.3Very low35.3Very low124 Ų124137.9 Ų137.975%0.75273%0.73SS**  trans-70.687.4164.6179.80000106.5K440V438-K440 PolarHBondContact O-N 2.83Å
439K25.5Very low37.5Very low179 Ų179135.6 Ų135.678%0.77872%0.722SS**  trans-48.7115.1164.3-82.9-179.8176.8175.20107.4E437 F441E437-K439 PolarHBondContact O-N 3.31Å; K439-F441 PolarHBondContact O-N 2.88Å
440K24.4Very low40.2Very low204 Ų204131.6 Ų131.689%0.88770%0.699SS**  trans-61.582170.4-80.9173.2175.2168.60107.7V438 C442V438-K440 PolarHBondContact O-N 2.83Å; K440-C442 PolarHBondContact O-N 3.23Å
441F34Very low43.2Very low153 Ų153126.2 Ų126.267%0.67167%0.668SS**  trans-60.2129.6164.2-158.1-98.8000106.5P364 K439 S443P364-F441 HydrophobicContact CG-CE1 4.39Å; P364-F441 HydrophobicContact CG-CZ 4.23Å; K439-F441 PolarHBondContact O-N 2.88Å; F441-S443 PolarHBondContact O-N 3.15Å
442C31.3Very low46.3Very low125 Ų125126.9 Ų126.985%0.84566%0.661SS**  trans-60.576.7178.2-72.30000110.4K440 F444K440-C442 PolarHBondContact O-N 3.23Å; C442-F444 PolarHBondContact O-N 3.47Å
443S40.2Very low49.5Very low54 Ų54125.9 Ų125.938%0.37865%0.645SS.*  trans-61.6117.2158.9172.70000105.3F441 K445F441-S443 PolarHBondContact O-N 3.15Å; S443-K445 VanDerWaalsContact C-N 3.33Å; S443-K445 PolarHBondContact O-N 3.06Å
444F44.9Very low52.5Low153 Ų153122.1 Ų122.167%0.67162%0.617SS**  trans-46.4104.3160.9-156.1-106.5000106.5C442 N446C442-F444 PolarHBondContact O-N 3.47Å; F444-N446 HydrophobicContact CD1-CB 4.26Å; F444-N446 VanDerWaalsContact CD1-CG 3.47Å; F444-N446 WeakPolarHBondContact CD1-OD1 3.39Å; F444-N446 WeakPolarHBondContact CE1-OD1 3.41Å; F444-N446 PolarHBondContact O-N 2.99Å
445K49.2Very low55.8Low197 Ų197116.7 Ų116.786%0.85759%0.591SS**  trans-76.675.6175.4-91.4-170177.7-177.90105.9S443 G447S443-K445 VanDerWaalsContact C-N 3.33Å; S443-K445 PolarHBondContact O-N 3.06Å; K445-G447 PolarHBondContact O-N 3.48Å
446N57.6Low59Low33 Ų33115.5 Ų115.518%0.17658%0.575CS.*  trans-56.5115.4166.7-107.7-10.8000107.1L419 F444 S450 R451L419-N446 PolarHBondContact O-ND2 3.28Å; F444-N446 HydrophobicContact CD1-CB 4.26Å; F444-N446 VanDerWaalsContact CD1-CG 3.47Å; F444-N446 WeakPolarHBondContact CD1-OD1 3.39Å; F444-N446 WeakPolarHBondContact CE1-OD1 3.41Å; F444-N446 PolarHBondContact O-N 2.99Å; N446-S450 WeakPolarHBondContact CA-OG 3.29Å; N446-S450 WeakPolarHBondContact CB-OG 3.42Å; N446-S450 PolarHBondContact OD1-OG 3.38Å; N446-R451 HydrophobicContact CB-CG 4.25Å
447G70.4Confident62.2Low45 Ų45112.1 Ų112.146%0.46455%0.551SS.*  trans-56.8156.8177.500000110.6K445 H449 S450 R451K445-G447 PolarHBondContact O-N 3.48Å; G447-H449 PolarHBondContact O-N 2.91Å; G447-S450 PolarHBondContact N-OG 3.45Å; G447-S450 VanDerWaalsContact N-OG 3.14Å; G447-S450 PolarHBondContact O-N 3.16Å; G447-S450 PolarHBondContact O-OG 3.01Å; G447-R451 PolarHBondContact O-N 3.16Å
448L74Confident65.4Low138 Ų138105.6 Ų105.672%0.72352%0.521SS*.Hα-helixtrans-48.4-39.2-177.1-174.266.3000112.8R451 K452L448-R451 PolarHBondContact O-N 2.78Å; L448-K452 PolarHBondContact O-N 2.71Å; L448-K452 VanDerWaalsContact O-N 3.11Å
449H77.9Confident68.6Low136 Ų136100.9 Ų100.963%0.6350%0.498SS*.Hα-helixtrans-57.5-52.1174.3-66.395.1000112.9G447 R451 K452 Y453G447-H449 PolarHBondContact O-N 2.91Å; H449-R451 VanDerWaalsContact C-N 3.29Å; H449-R451 PolarHBondContact O-N 3.36Å; H449-K452 WeakPolarHBondContact O-CA 3.27Å; H449-K452 WeakPolarHBondContact O-CB 3.36Å; H449-K452 PolarHBondContact O-N 2.78Å; H449-Y453 HydrophobicContact CB-CD2 4.36Å; H449-Y453 HydrophobicContact CB-CE2 4.06Å; H449-Y453 WeakPolarHBondContact O-CD2 3.39Å; H449-Y453 PolarHBondContact O-N 3.15Å
450S82.8Confident71.9Confident36 Ų3697.6 Ų97.625%0.25249%0.488SS..Hα-helixtrans-58.9-38.2179.866.50000112.9N446 G447 Y453 L454N446-S450 WeakPolarHBondContact CA-OG 3.29Å; N446-S450 WeakPolarHBondContact CB-OG 3.42Å; N446-S450 PolarHBondContact OD1-OG 3.38Å; G447-S450 PolarHBondContact N-OG 3.45Å; G447-S450 VanDerWaalsContact N-OG 3.14Å; G447-S450 PolarHBondContact O-N 3.16Å; G447-S450 PolarHBondContact O-OG 3.01Å; S450-Y453 PolarHBondContact O-N 3.48Å; S450-L454 WeakPolarHBondContact O-CB 3.45Å; S450-L454 PolarHBondContact O-N 2.87Å
451R86.4Confident75.3Confident73 Ų7391.2 Ų91.228%0.27546%0.463SS..Hα-helixtrans-66.4-38.4175.4-66.3178.6168.6175-5112L420 G421 N446 G447 L448 H449 R455L420-R451 HydrophobicContact CD2-CB 3.93Å; L420-R451 HydrophobicContact CD2-CG 4.02Å; L420-R451 PolarHBondContact O-NE 3.27Å; L420-R451 PolarHBondContact O-NH2 3.34Å; G421-R451 PolarHBondContact O-NH2 3.03Å; N446-R451 HydrophobicContact CB-CG 4.25Å; G447-R451 PolarHBondContact O-N 3.16Å; L448-R451 PolarHBondContact O-N 2.78Å; H449-R451 VanDerWaalsContact C-N 3.29Å; H449-R451 PolarHBondContact O-N 3.36Å; R451-R455 WeakPolarHBondContact O-CG 3.27Å; R451-R455 PolarHBondContact O-N 2.84Å; R451-R455 VanDerWaalsContact O-N 3.14Å
452K89.2Confident78.3Confident133 Ų13385 Ų8558%0.57844%0.437SS*.Hα-helixtrans-63.9-48.8174.5-174.9-176.9177.8-177.20110.5L448 H449 L454 R455 I456L448-K452 PolarHBondContact O-N 2.71Å; L448-K452 VanDerWaalsContact O-N 3.11Å; H449-K452 WeakPolarHBondContact O-CA 3.27Å; H449-K452 WeakPolarHBondContact O-CB 3.36Å; H449-K452 PolarHBondContact O-N 2.78Å; K452-L454 VanDerWaalsContact C-N 3.34Å; K452-L454 PolarHBondContact O-N 3Å; K452-R455 PolarHBondContact O-N 3.21Å; K452-I456 HydrophobicContact CG-CD1 4.03Å; K452-I456 WeakPolarHBondContact O-CG1 3.41Å; K452-I456 PolarHBondContact O-N 3.11Å
453Y91Very high81.4Confident150 Ų15083.9 Ų83.959%0.58842%0.421SS*.Hα-helixtrans-62.9-38.8177.7-68.9-64.6000112.6H449 S450 R455 I456 S457H449-Y453 HydrophobicContact CB-CD2 4.36Å; H449-Y453 HydrophobicContact CB-CE2 4.06Å; H449-Y453 WeakPolarHBondContact O-CD2 3.39Å; H449-Y453 PolarHBondContact O-N 3.15Å; S450-Y453 PolarHBondContact O-N 3.48Å; Y453-R455 PolarHBondContact O-N 3.31Å; Y453-I456 PolarHBondContact O-N 3.44Å; Y453-S457 WeakPolarHBondContact O-CB 3.35Å; Y453-S457 PolarHBondContact O-N 3.19Å; Y453-S457 PolarHBondContact O-OG 2.66Å
454L91.4Very high84.1Confident28 Ų2883.9 Ų83.915%0.14743%0.425CS..Hα-helixtrans-60-47.3174.9-175.166.9000111.3F416 L419 L420 S450 K452 I456 S457 M458F416-L454 HydrophobicContact CD2-CD2 3.95Å; F416-L454 HydrophobicContact CD2-CG 4Å; F416-L454 HydrophobicContact CE2-CD2 4.03Å; F416-L454 HydrophobicContact CE2-CG 3.89Å; L419-L454 HydrophobicContact CB-CD2 3.55Å; L419-L454 HydrophobicContact CD1-CD1 4.07Å; L420-L454 HydrophobicContact CD2-CD2 3.82Å; L420-L454 HydrophobicContact CG-CD2 3.88Å; S450-L454 WeakPolarHBondContact O-CB 3.45Å; S450-L454 PolarHBondContact O-N 2.87Å; K452-L454 VanDerWaalsContact C-N 3.34Å; K452-L454 PolarHBondContact O-N 3Å; L454-I456 VanDerWaalsContact C-N 3.34Å; L454-I456 PolarHBondContact O-N 2.79Å; L454-S457 WeakPolarHBondContact CA-OG 3.25Å; L454-S457 PolarHBondContact O-N 3.42Å; L454-S457 PolarHBondContact O-OG 3.49Å; L454-M458 WeakPolarHBondContact O-CB 3.33Å; L454-M458 PolarHBondContact O-N 3.48Å
455R93.5Very high86.6Confident97 Ų9778 Ų7837%0.36640%0.399SS..Hα-helixtrans-60.3-42.3175.4-72.7178178.9111.4-0.6112.7E113 F416 R451 K452 Y453 M458 G459E113-R455 IonicContact OE1-CZ 3.28Å; E113-R455 VanDerWaalsContact OE1-CZ 3.28Å; E113-R455 IonicContact OE1-NE 2.7Å; E113-R455 PolarHBondContact OE1-NE 2.92Å; E113-R455 IonicContact OE1-NH2 2.99Å; E113-R455 PolarHBondContact OE1-NH2 3.4Å; E113-R455 IonicContact OE2-CZ 3.99Å; E113-R455 IonicContact OE2-NH2 2.99Å; E113-R455 PolarHBondContact OE2-NH2 3.13Å; F416-R455 HydrophobicContact CZ-CG 4.13Å; R451-R455 WeakPolarHBondContact O-CG 3.27Å; R451-R455 PolarHBondContact O-N 2.84Å; R451-R455 VanDerWaalsContact O-N 3.14Å; K452-R455 PolarHBondContact O-N 3.21Å; Y453-R455 PolarHBondContact O-N 3.31Å; R455-M458 PolarHBondContact O-N 3.12Å; R455-G459 PolarHBondContact O-N 2.72Å
456I94.5Very high88.9Confident83 Ų8370.1 Ų70.143%0.42637%0.367SS..Hα-helixtrans-61.9-49.9176.7-68.3166.9000110K452 Y453 L454 M458 G459 L460K452-I456 HydrophobicContact CG-CD1 4.03Å; K452-I456 WeakPolarHBondContact O-CG1 3.41Å; K452-I456 PolarHBondContact O-N 3.11Å; Y453-I456 PolarHBondContact O-N 3.44Å; L454-I456 VanDerWaalsContact C-N 3.34Å; L454-I456 PolarHBondContact O-N 2.79Å; I456-M458 VanDerWaalsContact C-N 3.29Å; I456-M458 PolarHBondContact O-N 2.92Å; I456-G459 PolarHBondContact O-N 3.21Å; I456-G459 VanDerWaalsContact O-N 3.16Å; I456-L460 HydrophobicContact CG2-CD1 4.32Å; I456-L460 WeakPolarHBondContact O-CG 3.48Å; I456-L460 PolarHBondContact O-N 2.93Å
457S93.7Very high90.8Very high51 Ų5172.2 Ų72.236%0.35738%0.384SS..Hα-helixtrans-59-41179.669.10000112.1Y453 L454 L460 I461Y453-S457 WeakPolarHBondContact O-CB 3.35Å; Y453-S457 PolarHBondContact O-N 3.19Å; Y453-S457 PolarHBondContact O-OG 2.66Å; L454-S457 WeakPolarHBondContact CA-OG 3.25Å; L454-S457 PolarHBondContact O-N 3.42Å; L454-S457 PolarHBondContact O-OG 3.49Å; S457-L460 PolarHBondContact O-N 3.17Å; S457-I461 WeakPolarHBondContact O-CG1 3.27Å; S457-I461 PolarHBondContact O-N 3.17Å; S457-I461 VanDerWaalsContact O-N 3.1Å
458M92.9Very high92.1Very high25 Ų2572.8 Ų72.812%0.12337%0.373CS..Hα-helixtrans-71.4-35.7178.4-13870.1-171.900112.5F117 I412 F416 L454 R455 I456 L460 I461 I462F117-M458 HydrophobicContact CD2-CB 4.47Å; F117-M458 HydrophobicContact CD2-CG 3.81Å; F117-M458 HydrophobicContact CE1-CE 3.62Å; F117-M458 HydrophobicContact CE1-CG 3.98Å; F117-M458 HydrophobicContact CE2-CB 3.96Å; F117-M458 HydrophobicContact CE2-CE 4.08Å; F117-M458 HydrophobicContact CE2-CG 3.02Å; F117-M458 HydrophobicContact CE2-SD 4.37Å; F117-M458 HydrophobicContact CZ-CB 4.48Å; F117-M458 HydrophobicContact CZ-CE 3.16Å; F117-M458 HydrophobicContact CZ-CG 3.16Å; F117-M458 HydrophobicContact CZ-SD 3.97Å; I412-M458 HydrophobicContact CG2-CE 3.33Å; F416-M458 HydrophobicContact CD2-CB 4.46Å; F416-M458 HydrophobicContact CD2-CG 4.2Å; F416-M458 HydrophobicContact CE2-CB 4.16Å; F416-M458 HydrophobicContact CE2-CG 4.34Å; L454-M458 WeakPolarHBondContact O-CB 3.33Å; L454-M458 PolarHBondContact O-N 3.48Å; R455-M458 PolarHBondContact O-N 3.12Å; I456-M458 VanDerWaalsContact C-N 3.29Å; I456-M458 PolarHBondContact O-N 2.92Å; M458-L460 VanDerWaalsContact C-N 3.34Å; M458-I461 HydrophobicContact CE-CD1 4.43Å; M458-I461 PolarHBondContact O-N 3.05Å; M458-I461 HydrophobicContact SD-CD1 3.99Å; M458-I462 WeakPolarHBondContact O-CG1 3.38Å; M458-I462 PolarHBondContact O-N 3.35Å
459G94.9Very high93.2Very high26 Ų2666.2 Ų66.227%0.26834%0.339SS..Hα-helixtrans-60.8-41.9171.100000112.2R455 I456 I461 I462 I463R455-G459 PolarHBondContact O-N 2.72Å; I456-G459 PolarHBondContact O-N 3.21Å; I456-G459 VanDerWaalsContact O-N 3.16Å; G459-I461 PolarHBondContact O-N 3.35Å; G459-I462 PolarHBondContact O-N 2.68Å; G459-I463 VanDerWaalsContact O-CG1 3.27Å; G459-I463 WeakPolarHBondContact O-CG1 3.4Å; G459-I463 PolarHBondContact O-N 2.67Å
460L96.5Very high94.2Very high109 Ų10962.2 Ų62.257%0.57132%0.324SS*.Hα-helixtrans-63.4-40175.3-68.3174000112.3I456 S457 M458 I463 A464I456-L460 HydrophobicContact CG2-CD1 4.32Å; I456-L460 WeakPolarHBondContact O-CG 3.48Å; I456-L460 PolarHBondContact O-N 2.93Å; S457-L460 PolarHBondContact O-N 3.17Å; M458-L460 VanDerWaalsContact C-N 3.34Å; L460-I463 PolarHBondContact O-N 3.33Å; L460-A464 WeakPolarHBondContact O-CB 3.29Å; L460-A464 PolarHBondContact O-N 3.22Å
461I95.3Very high94.9Very high70 Ų7065.5 Ų65.536%0.35933%0.331SS..Hα-helixtrans-62.1-46.4174.8-68.1166.9000110.8L121 S457 M458 G459 I463 A464 F465L121-I461 HydrophobicContact CD1-CG2 4.35Å; S457-I461 WeakPolarHBondContact O-CG1 3.27Å; S457-I461 PolarHBondContact O-N 3.17Å; S457-I461 VanDerWaalsContact O-N 3.1Å; M458-I461 HydrophobicContact CE-CD1 4.43Å; M458-I461 PolarHBondContact O-N 3.05Å; M458-I461 HydrophobicContact SD-CD1 3.99Å; G459-I461 PolarHBondContact O-N 3.35Å; I461-I463 VanDerWaalsContact C-N 3.35Å; I461-I463 PolarHBondContact O-N 3.38Å; I461-A464 PolarHBondContact O-N 2.87Å; I461-F465 HydrophobicContact CG2-CD1 4.4Å; I461-F465 HydrophobicContact CG2-CE1 4.25Å; I461-F465 HydrophobicContact CG2-CZ 4.39Å; I461-F465 WeakPolarHBondContact O-CB 3.13Å; I461-F465 PolarHBondContact O-N 2.71Å
462I96Very high95.4Very high24 Ų2462.2 Ų62.212%0.12332%0.318CS..Hα-helixtrans-59.2-47.1176.1-70.7163.4000110.5F10 F117 I120 M458 G459 A464 F465 V466F10-I462 HydrophobicContact CZ-CG2 4.16Å; F117-I462 HydrophobicContact CD2-CD1 3.66Å; F117-I462 HydrophobicContact CE2-CD1 3.43Å; F117-I462 VanDerWaalsContact CE2-CD1 3.43Å; F117-I462 HydrophobicContact CE2-CG1 3.96Å; I120-I462 HydrophobicContact CB-CD1 4.4Å; I120-I462 HydrophobicContact CG2-CB 4.32Å; I120-I462 HydrophobicContact CG2-CD1 3.56Å; I120-I462 HydrophobicContact CG2-CG1 3.87Å; I120-I462 HydrophobicContact CG2-CG2 3.46Å; I120-I462 VanDerWaalsContact CG2-CG2 3.46Å; M458-I462 WeakPolarHBondContact O-CG1 3.38Å; M458-I462 PolarHBondContact O-N 3.35Å; G459-I462 PolarHBondContact O-N 2.68Å; I462-A464 VanDerWaalsContact C-N 3.33Å; I462-A464 PolarHBondContact O-N 2.95Å; I462-F465 PolarHBondContact O-N 2.99Å; I462-F465 VanDerWaalsContact O-N 3.17Å; I462-V466 HydrophobicContact CG2-CG2 4.23Å; I462-V466 WeakPolarHBondContact O-CG2 3.21Å; I462-V466 PolarHBondContact O-N 3.2Å
463I97.1Very high95.8Very high101 Ų10155.9 Ų55.952%0.51829%0.291SS..Hα-helixtrans-60.5-44.4179.2-69.4164.4000110.5G459 L460 I461 F465 V466 C467G459-I463 VanDerWaalsContact O-CG1 3.27Å; G459-I463 WeakPolarHBondContact O-CG1 3.4Å; G459-I463 PolarHBondContact O-N 2.67Å; L460-I463 PolarHBondContact O-N 3.33Å; I461-I463 VanDerWaalsContact C-N 3.35Å; I461-I463 PolarHBondContact O-N 3.38Å; I463-F465 VanDerWaalsContact C-N 3.3Å; I463-F465 PolarHBondContact O-N 2.73Å; I463-V466 PolarHBondContact O-N 2.83Å; I463-C467 WeakPolarHBondContact O-CB 3.25Å; I463-C467 PolarHBondContact O-N 2.97Å; I463-C467 PolarHBondContact O-SG 3.03Å
464A96.9Very high96.1Very high54 Ų5451.9 Ų51.945%0.44628%0.282SS..Hα-helixtrans-60.1-41.1176.400000111.9L460 I461 I462 K468L460-A464 WeakPolarHBondContact O-CB 3.29Å; L460-A464 PolarHBondContact O-N 3.22Å; I461-A464 PolarHBondContact O-N 2.87Å; I462-A464 VanDerWaalsContact C-N 3.33Å; I462-A464 PolarHBondContact O-N 2.95Å; A464-K468 VanDerWaalsContact O-CB 3.24Å; A464-K468 WeakPolarHBondContact O-CB 3.3Å; A464-K468 PolarHBondContact O-N 3.32Å
465F97.6Very high96.4Very high28 Ų2851.6 Ų51.612%0.12328%0.281CS..Hα-helixtrans-66.4-45.9176.4-82.823.3000111.4L121 A124 H125 P126 P318 I461 I462 I463 C467 K468 T469L121-F465 HydrophobicContact CD1-CD2 3.64Å; L121-F465 HydrophobicContact CD1-CE2 3.67Å; A124-F465 HydrophobicContact CB-CB 4.25Å; A124-F465 CarbonylContact O-C 3.56Å; H125-F465 AromaticContact CD2-CE2 3.72Å; H125-F465 AromaticContact NE2-CE2 3.98Å; P126-F465 HydrophobicContact CG-CB 4.35Å; P126-F465 HydrophobicContact CG-CG 4.31Å; P318-F465 HydrophobicContact CG-CE1 4.04Å; P318-F465 HydrophobicContact CG-CZ 4.01Å; I461-F465 HydrophobicContact CG2-CD1 4.4Å; I461-F465 HydrophobicContact CG2-CE1 4.25Å; I461-F465 HydrophobicContact CG2-CZ 4.39Å; I461-F465 WeakPolarHBondContact O-CB 3.13Å; I461-F465 PolarHBondContact O-N 2.71Å; I462-F465 PolarHBondContact O-N 2.99Å; I462-F465 VanDerWaalsContact O-N 3.17Å; I463-F465 VanDerWaalsContact C-N 3.3Å; I463-F465 PolarHBondContact O-N 2.73Å; F465-C467 PolarHBondContact O-N 3.22Å; F465-K468 PolarHBondContact O-N 3Å; F465-T469 WeakPolarHBondContact O-CB 3.42Å; F465-T469 PolarHBondContact O-N 3.25Å; F465-T469 PolarHBondContact O-OG1 3.31Å
466V97.9Very high96.5Very high32 Ų3247.2 Ų47.219%0.19426%0.264CS..Hα-helixtrans-55.6-52.7173.7170.10000110.8F10 I14 A124 I462 I463 K468 T469 V470F10-V466 HydrophobicContact CE1-CG2 4.42Å; F10-V466 HydrophobicContact CE2-CG2 4.22Å; F10-V466 HydrophobicContact CZ-CG2 3.57Å; I14-V466 HydrophobicContact CD1-CG2 4.09Å; I14-V466 HydrophobicContact CG1-CG1 4.23Å; I14-V466 HydrophobicContact CG1-CG2 4.18Å; A124-V466 HydrophobicContact CB-CG2 3.68Å; I462-V466 HydrophobicContact CG2-CG2 4.23Å; I462-V466 WeakPolarHBondContact O-CG2 3.21Å; I462-V466 PolarHBondContact O-N 3.2Å; I463-V466 PolarHBondContact O-N 2.83Å; V466-K468 VanDerWaalsContact C-N 3.31Å; V466-K468 PolarHBondContact O-N 3.28Å; V466-T469 PolarHBondContact O-N 2.65Å; V466-V470 HydrophobicContact CG1-CG2 4.24Å; V466-V470 WeakPolarHBondContact O-CB 3.43Å; V466-V470 VanDerWaalsContact O-CG2 3.29Å; V466-V470 WeakPolarHBondContact O-CG2 3.38Å; V466-V470 PolarHBondContact O-N 3.04Å
467C97.5Very high96.6Very high78 Ų7844.8 Ų44.853%0.52726%0.255SS..Hα-helixtrans-59.3-42.6179.1-68.90000111.7I463 F465 R471I463-C467 WeakPolarHBondContact O-CB 3.25Å; I463-C467 PolarHBondContact O-N 2.97Å; I463-C467 PolarHBondContact O-SG 3.03Å; F465-C467 PolarHBondContact O-N 3.22Å; C467-R471 VanDerWaalsContact O-CB 3.32Å; C467-R471 WeakPolarHBondContact O-CB 3.39Å; C467-R471 PolarHBondContact O-N 3.01Å; C467-R471 VanDerWaalsContact O-N 3.07Å
468K97.1Very high96.7Very high56 Ų5645.4 Ų45.424%0.24325%0.254CS..Hα-helixtrans-66-40.3178.8-177.270.6179-177.70111.6P126 P318 S319 A464 F465 V466 R471 R472P126-K468 HydrophobicContact CB-CB 4.28Å; P126-K468 HydrophobicContact CB-CG 3.72Å; P126-K468 HydrophobicContact CG-CB 3.71Å; P126-K468 HydrophobicContact CG-CG 3.6Å; P318-K468 WeakPolarHBondContact O-CE 3.39Å; S319-K468 PolarHBondContact O-NZ 3.5Å; A464-K468 VanDerWaalsContact O-CB 3.24Å; A464-K468 WeakPolarHBondContact O-CB 3.3Å; A464-K468 PolarHBondContact O-N 3.32Å; F465-K468 PolarHBondContact O-N 3Å; V466-K468 VanDerWaalsContact C-N 3.31Å; V466-K468 PolarHBondContact O-N 3.28Å; K468-R471 VanDerWaalsContact CE-NH2 3.25Å; K468-R471 VanDerWaalsContact NZ-NH2 3.12Å; K468-R472 WeakPolarHBondContact O-CB 3.32Å; K468-R472 PolarHBondContact O-N 3.29Å
469T98Very high96.8Very high0 Ų047.4 Ų47.40%026%0.263CS..Hα-helixtrans-68.8-49.3178.4-600000111.6I14 Y15 A124 P126 F465 V466 R471 R472 N473I14-T469 HydrophobicContact CG2-CG2 3.45Å; I14-T469 VanDerWaalsContact CG2-CG2 3.45Å; Y15-T469 HydrophobicContact CD1-CG2 4.42Å; Y15-T469 HydrophobicContact CE1-CG2 3.64Å; Y15-T469 HydrophobicContact CE2-CG2 4.23Å; Y15-T469 WeakPolarHBondContact OH-CG2 3.5Å; A124-T469 PolarHBondContact O-OG1 3.45Å; P126-T469 WeakPolarHBondContact CA-OG1 3.32Å; P126-T469 WeakPolarHBondContact CG-OG1 3.26Å; F465-T469 WeakPolarHBondContact O-CB 3.42Å; F465-T469 PolarHBondContact O-N 3.25Å; F465-T469 PolarHBondContact O-OG1 3.31Å; V466-T469 PolarHBondContact O-N 2.65Å; T469-R471 VanDerWaalsContact C-N 3.29Å; T469-R471 PolarHBondContact O-N 3.05Å; T469-R472 CarbonylContact O-C 3.55Å; T469-R472 WeakPolarHBondContact O-CA 3.41Å; T469-R472 PolarHBondContact O-N 3.13Å; T469-N473 PolarHBondContact O-N 3.09Å; T469-N473 PolarHBondContact O-ND2 2.82Å; T469-N473 PolarHBondContact O-OD1 2.99Å
470V98Very high96.9Very high53 Ų5349.2 Ų49.232%0.32126%0.262SS..Hα-helixtrans-56.2-45.6176.3172.40000110.4I14 N17 V466 N473I14-V470 HydrophobicContact CG2-CG2 4.34Å; I14-V470 WeakPolarHBondContact O-CG2 3.47Å; N17-V470 PolarHBondContact ND2-O 2.86Å; V466-V470 HydrophobicContact CG1-CG2 4.24Å; V466-V470 WeakPolarHBondContact O-CB 3.43Å; V466-V470 VanDerWaalsContact O-CG2 3.29Å; V466-V470 WeakPolarHBondContact O-CG2 3.38Å; V466-V470 PolarHBondContact O-N 3.04Å; V470-N473 WeakPolarHBondContact O-CB 3.2Å; V470-N473 PolarHBondContact O-N 3.03Å
471R97.1Very high96.9Very high105 Ų10546.7 Ų46.740%0.39625%0.25SC..Hα-helixtrans-68.4-34.1174.7-170.7-155.358.464.214112.5C467 K468 T469 N473 T474 D475C467-R471 VanDerWaalsContact O-CB 3.32Å; C467-R471 WeakPolarHBondContact O-CB 3.39Å; C467-R471 PolarHBondContact O-N 3.01Å; C467-R471 VanDerWaalsContact O-N 3.07Å; K468-R471 VanDerWaalsContact CE-NH2 3.25Å; K468-R471 VanDerWaalsContact NZ-NH2 3.12Å; T469-R471 VanDerWaalsContact C-N 3.29Å; T469-R471 PolarHBondContact O-N 3.05Å; R471-N473 VanDerWaalsContact C-N 3.31Å; R471-T474 PolarHBondContact O-N 3.26Å; R471-T474 PolarHBondContact O-OG1 3.26Å; R471-D475 IonicContact NH1-OD1 2.6Å; R471-D475 PolarHBondContact NH1-OD1 3.39Å; R471-D475 IonicContact NH1-OD2 3.81Å; R471-D475 PolarHBondContact NH1-OD2 3.33Å
472R97.2Very high96.9Very high3 Ų343.4 Ų43.41%0.01123%0.232CC..Hα-helixtrans-69.4-31.3178-175.155178.6143.25.2111T129 L321 E398 K468 T469 T474 D475 S485T129-R472 HydrophobicContact CG2-CB 4.12Å; T129-R472 HydrophobicContact CG2-CG 3.62Å; T129-R472 WeakPolarHBondContact OG1-CG 3.21Å; L321-R472 HydrophobicContact CD1-CG 4.29Å; E398-R472 IonicContact OE1-NH2 2.65Å; K468-R472 WeakPolarHBondContact O-CB 3.32Å; K468-R472 PolarHBondContact O-N 3.29Å; T469-R472 CarbonylContact O-C 3.55Å; T469-R472 WeakPolarHBondContact O-CA 3.41Å; T469-R472 PolarHBondContact O-N 3.13Å; R472-T474 VanDerWaalsContact C-N 3.27Å; R472-T474 PolarHBondContact O-N 2.91Å; R472-D475 WeakPolarHBondContact CD-OD2 3.49Å; R472-D475 IonicContact CZ-OD2 3.82Å; R472-D475 IonicContact NE-OD2 2.74Å; R472-D475 IonicContact NH1-OD2 3.92Å; R472-D475 PolarHBondContact NH1-OD2 3.32Å; R472-D475 VanDerWaalsContact O-CB 3.28Å; R472-D475 WeakPolarHBondContact O-CB 3.23Å; R472-D475 PolarHBondContact O-N 3.14Å; R472-D475 VanDerWaalsContact O-N 3.1Å; R472-S485 PolarHBondContact NH1-OG 3.18Å
473N98Very high96.9Very high0 Ų043 Ų430%023%0.23CC..Hα-helixtrans-59.9-38.2175.1-62.8-21.9000111.8I14 Y15 N17 C21 T129 T133 T469 V470 R471 D475 W476I14-N473 PolarHBondContact O-ND2 3.26Å; Y15-N473 WeakPolarHBondContact CD1-OD1 3.4Å; Y15-N473 WeakPolarHBondContact CE1-OD1 3.47Å; N17-N473 WeakPolarHBondContact OD1-CB 3.48Å; N17-N473 PolarHBondContact OD1-ND2 3.4Å; C21-N473 PolarHBondContact SG-O 2.98Å; T129-N473 WeakPolarHBondContact CG2-OD1 3.4Å; T133-N473 PolarHBondContact OG1-OD1 3.39Å; T469-N473 PolarHBondContact O-N 3.09Å; T469-N473 PolarHBondContact O-ND2 2.82Å; T469-N473 PolarHBondContact O-OD1 2.99Å; V470-N473 WeakPolarHBondContact O-CB 3.2Å; V470-N473 PolarHBondContact O-N 3.03Å; R471-N473 VanDerWaalsContact C-N 3.31Å; N473-D475 PolarHBondContact O-N 3.18Å; N473-W476 WeakPolarHBondContact O-CB 3.16Å; N473-W476 PolarHBondContact O-N 3.12Å
474T97.3Very high96.8Very high67 Ų6739.1 Ų39.141%0.41121%0.211SC..Hα-helixtrans-67-24178.560.40000112.9R471 R472 W476 S477R471-T474 PolarHBondContact O-N 3.26Å; R471-T474 PolarHBondContact O-OG1 3.26Å; R472-T474 VanDerWaalsContact C-N 3.27Å; R472-T474 PolarHBondContact O-N 2.91Å; T474-W476 PolarHBondContact O-N 3.11Å; T474-S477 VanDerWaalsContact O-CB 3.31Å; T474-S477 WeakPolarHBondContact O-CB 3.47Å; T474-S477 PolarHBondContact O-N 2.65Å; T474-S477 PolarHBondContact O-OG 2.78Å
475D96.7Very high96.7Very high21 Ų2137 Ų3711%0.11219%0.193CC..Hα-helixtrans-63.5-23.4174-58.9-22.5000111.1R471 R472 N473 N481 L482R471-D475 IonicContact NH1-OD1 2.6Å; R471-D475 PolarHBondContact NH1-OD1 3.39Å; R471-D475 IonicContact NH1-OD2 3.81Å; R471-D475 PolarHBondContact NH1-OD2 3.33Å; R472-D475 WeakPolarHBondContact CD-OD2 3.49Å; R472-D475 IonicContact CZ-OD2 3.82Å; R472-D475 IonicContact NE-OD2 2.74Å; R472-D475 IonicContact NH1-OD2 3.92Å; R472-D475 PolarHBondContact NH1-OD2 3.32Å; R472-D475 VanDerWaalsContact O-CB 3.28Å; R472-D475 WeakPolarHBondContact O-CB 3.23Å; R472-D475 PolarHBondContact O-N 3.14Å; R472-D475 VanDerWaalsContact O-N 3.1Å; N473-D475 PolarHBondContact O-N 3.18Å; D475-N481 CarbonylContact O-C 3.57Å; D475-N481 VanDerWaalsContact O-C 3.25Å; D475-L482 WeakPolarHBondContact O-CA 3.32Å; D475-L482 WeakPolarHBondContact O-CB 3.48Å; D475-L482 PolarHBondContact O-N 2.99Å
476W97.2Very high96.5Very high5 Ų535.7 Ų35.72%0.01919%0.187CC..THydrogen-bonded Turntrans-92.69.6178.5-70.976.4000113.8C21 V24 E130 T133 A323 N473 T474 L482C21-W476 WeakPolarHBondContact CB-O 3.15Å; V24-W476 HydrophobicContact CG2-CB 4.5Å; V24-W476 HydrophobicContact CG2-CD2 4.46Å; V24-W476 HydrophobicContact CG2-CE3 3.54Å; V24-W476 HydrophobicContact CG2-CZ3 4.13Å; E130-W476 HydrophobicContact CB-CH2 4.31Å; E130-W476 HydrophobicContact CB-CZ2 3.77Å; E130-W476 HydrophobicContact CG-CH2 3.7Å; E130-W476 HydrophobicContact CG-CZ2 3.65Å; T133-W476 HydrophobicContact CG2-CB 3.46Å; T133-W476 VanDerWaalsContact CG2-CB 3.46Å; T133-W476 HydrophobicContact CG2-CG 3.85Å; A323-W476 HydrophobicContact CB-CH2 4.45Å; A323-W476 HydrophobicContact CB-CZ2 4.26Å; N473-W476 WeakPolarHBondContact O-CB 3.16Å; N473-W476 PolarHBondContact O-N 3.12Å; T474-W476 PolarHBondContact O-N 3.11Å; W476-L482 HydrophobicContact CD2-CD1 3.8Å; W476-L482 HydrophobicContact CE3-CD1 4.26Å; W476-L482 HydrophobicContact CE3-CD2 4.26Å; W476-L482 HydrophobicContact CG-CD1 4.11Å; W476-L482 HydrophobicContact CH2-CD1 4.41Å; W476-L482 HydrophobicContact CZ2-CD1 4.01Å; W476-L482 HydrophobicContact CZ3-CD2 4.21Å
477S96.7Very high96.2Very high33 Ų3334.9 Ų34.923%0.23118%0.182CC..SBendtrans-66.2-39.6-176.850.80000114G22 T474 N481G22-S477 PolarHBondContact N-O 3.27Å; T474-S477 VanDerWaalsContact O-CB 3.31Å; T474-S477 WeakPolarHBondContact O-CB 3.47Å; T474-S477 PolarHBondContact O-N 2.65Å; T474-S477 PolarHBondContact O-OG 2.78Å; S477-N481 PolarHBondContact OG-ND2 3.32Å
478N95.7Very high96Very high63 Ų6339.2 Ų39.234%0.33719%0.192SC..SBendtrans-152.6166.4175.958.748000110Y480 N481 L482N478-Y480 VanDerWaalsContact C-N 3.29Å; N478-Y480 PolarHBondContact O-N 3.03Å; N478-Y480 PolarHBondContact OD1-N 3.37Å; N478-N481 PolarHBondContact ND2-ND2 3.08Å; N478-N481 PolarHBondContact O-N 2.93Å; N478-N481 WeakPolarHBondContact OD1-CB 3.28Å; N478-N481 PolarHBondContact OD1-N 3.3Å; N478-N481 PolarHBondContact OD1-ND2 2.96Å; N478-L482 PolarHBondContact O-N 2.82Å
479E94.9Very high95.7Very high68 Ų6838.2 Ų38.232%0.31819%0.19SC..Hα-helixtrans-59.5-38.6-177.3-67.9-172.3150.400112.8V24 L482 F483 S503V24-E479 HydrophobicContact CB-CG 4.3Å; V24-E479 HydrophobicContact CG1-CG 4.43Å; E479-L482 PolarHBondContact O-N 3.23Å; E479-F483 HydrophobicContact CB-CD2 4.1Å; E479-F483 HydrophobicContact CB-CE2 3.77Å; E479-F483 HydrophobicContact CG-CE2 4.33Å; E479-F483 WeakPolarHBondContact O-CB 3.36Å; E479-F483 WeakPolarHBondContact O-CD2 3.15Å; E479-F483 VanDerWaalsContact O-CG 3.32Å; E479-F483 WeakPolarHBondContact O-CG 3.13Å; E479-F483 PolarHBondContact O-N 3.21Å; E479-S503 WeakPolarHBondContact CB-OG 3.42Å
480Y95.9Very high95.3Very high64 Ų6438.9 Ų38.925%0.25119%0.193SC..Hα-helixtrans-59.2-50.3177.1174.1-97.5000112N478 L482 T484 V500 L504N478-Y480 VanDerWaalsContact C-N 3.29Å; N478-Y480 PolarHBondContact O-N 3.03Å; N478-Y480 PolarHBondContact OD1-N 3.37Å; Y480-L482 VanDerWaalsContact C-N 3.3Å; Y480-L482 PolarHBondContact O-N 2.9Å; Y480-T484 HydrophobicContact CD1-CG2 4.4Å; Y480-T484 HydrophobicContact CD2-CG2 4.05Å; Y480-T484 HydrophobicContact CE1-CG2 4.07Å; Y480-T484 HydrophobicContact CE2-CG2 3.67Å; Y480-T484 HydrophobicContact CG-CG2 4.4Å; Y480-T484 VanDerWaalsContact O-CB 3.32Å; Y480-T484 WeakPolarHBondContact O-CB 3.49Å; Y480-T484 WeakPolarHBondContact O-CG2 3.49Å; Y480-T484 PolarHBondContact O-N 2.88Å; Y480-T484 PolarHBondContact O-OG1 2.63Å; Y480-V500 HydrophobicContact CD2-CG1 3.99Å; Y480-V500 HydrophobicContact CE2-CG1 3.83Å; Y480-L504 HydrophobicContact CD2-CD2 3.92Å; Y480-L504 HydrophobicContact CD2-CG 3.99Å; Y480-L504 HydrophobicContact CE2-CD1 4.19Å; Y480-L504 HydrophobicContact CE2-CD2 3.75Å; Y480-L504 HydrophobicContact CE2-CG 3.96Å
481N96.3Very high94.9Very high56 Ų5639 Ų3930%0.29920%0.196SC..Hα-helixtrans-63.8-37.8178.1-74.9-23.9000111.6D475 S477 N478 T484 S485D475-N481 CarbonylContact O-C 3.57Å; D475-N481 VanDerWaalsContact O-C 3.25Å; S477-N481 PolarHBondContact OG-ND2 3.32Å; N478-N481 PolarHBondContact ND2-ND2 3.08Å; N478-N481 PolarHBondContact O-N 2.93Å; N478-N481 WeakPolarHBondContact OD1-CB 3.28Å; N478-N481 PolarHBondContact OD1-N 3.3Å; N478-N481 PolarHBondContact OD1-ND2 2.96Å; N481-T484 WeakPolarHBondContact CA-OG1 3.31Å; N481-T484 PolarHBondContact O-OG1 3.03Å; N481-T484 VanDerWaalsContact O-OG1 3.11Å; N481-S485 VanDerWaalsContact O-CB 3.29Å; N481-S485 WeakPolarHBondContact O-CB 3.06Å; N481-S485 PolarHBondContact O-N 3.42Å; N481-S485 PolarHBondContact O-OG 3.43Å
482L96.1Very high94.3Very high0 Ų040.1 Ų40.10%021%0.209CC..Hα-helixtrans-66.1-51.2179.7-174.462.8000110.8V24 F25 A323 D475 W476 N478 E479 Y480 S485 A486V24-L482 HydrophobicContact CB-CD2 4.18Å; V24-L482 HydrophobicContact CG2-CD2 3.89Å; F25-L482 HydrophobicContact CB-CD2 3.67Å; F25-L482 HydrophobicContact CG-CD2 4.31Å; A323-L482 HydrophobicContact CB-CD1 3.83Å; A323-L482 HydrophobicContact CB-CD2 4.41Å; A323-L482 HydrophobicContact CB-CG 4.16Å; D475-L482 WeakPolarHBondContact O-CA 3.32Å; D475-L482 WeakPolarHBondContact O-CB 3.48Å; D475-L482 PolarHBondContact O-N 2.99Å; W476-L482 HydrophobicContact CD2-CD1 3.8Å; W476-L482 HydrophobicContact CE3-CD1 4.26Å; W476-L482 HydrophobicContact CE3-CD2 4.26Å; W476-L482 HydrophobicContact CG-CD1 4.11Å; W476-L482 HydrophobicContact CH2-CD1 4.41Å; W476-L482 HydrophobicContact CZ2-CD1 4.01Å; W476-L482 HydrophobicContact CZ3-CD2 4.21Å; N478-L482 PolarHBondContact O-N 2.82Å; E479-L482 PolarHBondContact O-N 3.23Å; Y480-L482 VanDerWaalsContact C-N 3.3Å; Y480-L482 PolarHBondContact O-N 2.9Å; L482-S485 PolarHBondContact O-N 3.24Å; L482-S485 PolarHBondContact O-OG 3.13Å; L482-A486 WeakPolarHBondContact O-CB 3.41Å; L482-A486 PolarHBondContact O-N 3.11Å
483F95.1Very high93.8Very high16 Ų1640.1 Ų40.17%0.0721%0.21CC..Hα-helixtrans-71-35.3-178.9-60.5-45000112.8F25 E479 S485 A486 L487 N499 V500 S503F25-F483 AromaticContact CD2-CE1 3.57Å; F25-F483 HydrophobicContact CD2-CE1 3.57Å; F25-F483 AromaticContact CD2-CZ 3.71Å; F25-F483 HydrophobicContact CD2-CZ 3.71Å; F25-F483 AromaticContact CE2-CE1 3.89Å; F25-F483 HydrophobicContact CE2-CE1 3.89Å; F25-F483 HydrophobicContact CE2-CZ 4.29Å; F25-F483 HydrophobicContact CG-CE1 4.39Å; E479-F483 HydrophobicContact CB-CD2 4.1Å; E479-F483 HydrophobicContact CB-CE2 3.77Å; E479-F483 HydrophobicContact CG-CE2 4.33Å; E479-F483 WeakPolarHBondContact O-CB 3.36Å; E479-F483 WeakPolarHBondContact O-CD2 3.15Å; E479-F483 VanDerWaalsContact O-CG 3.32Å; E479-F483 WeakPolarHBondContact O-CG 3.13Å; E479-F483 PolarHBondContact O-N 3.21Å; F483-S485 VanDerWaalsContact C-N 3.34Å; F483-A486 PolarHBondContact O-N 3.4Å; F483-L487 VanDerWaalsContact O-CB 3.25Å; F483-L487 WeakPolarHBondContact O-CB 3.3Å; F483-L487 PolarHBondContact O-N 3.48Å; F483-N499 HydrophobicContact CB-CB 4.17Å; F483-N499 HydrophobicContact CD1-CB 3.82Å; F483-N499 HydrophobicContact CD2-CB 3.64Å; F483-N499 HydrophobicContact CE1-CB 4.05Å; F483-N499 HydrophobicContact CE2-CB 3.86Å; F483-N499 HydrophobicContact CG-CB 3.61Å; F483-N499 HydrophobicContact CZ-CB 4.06Å; F483-V500 HydrophobicContact CB-CG2 3.56Å; F483-S503 WeakPolarHBondContact CD2-OG 3.39Å
484T95.3Very high93.3Very high20 Ų2040.4 Ų40.412%0.12321%0.212CC..Hα-helixtrans-67.3-35.3173.754.50000112.2Y480 N481 K488 V500Y480-T484 HydrophobicContact CD1-CG2 4.4Å; Y480-T484 HydrophobicContact CD2-CG2 4.05Å; Y480-T484 HydrophobicContact CE1-CG2 4.07Å; Y480-T484 HydrophobicContact CE2-CG2 3.67Å; Y480-T484 HydrophobicContact CG-CG2 4.4Å; Y480-T484 VanDerWaalsContact O-CB 3.32Å; Y480-T484 WeakPolarHBondContact O-CB 3.49Å; Y480-T484 WeakPolarHBondContact O-CG2 3.49Å; Y480-T484 PolarHBondContact O-N 2.88Å; Y480-T484 PolarHBondContact O-OG1 2.63Å; N481-T484 WeakPolarHBondContact CA-OG1 3.31Å; N481-T484 PolarHBondContact O-OG1 3.03Å; N481-T484 VanDerWaalsContact O-OG1 3.11Å; T484-K488 WeakPolarHBondContact O-CG 3.49Å; T484-K488 PolarHBondContact O-N 3.39Å; T484-V500 HydrophobicContact CG2-CG1 3.76Å; T484-V500 HydrophobicContact CG2-CG2 3.86Å
485S95.1Very high92.8Very high8 Ų840.4 Ų40.46%0.05621%0.206CC..Hα-helixtrans-64.1-41.8172.379.30000111.7R472 N481 L482 F483 K488R472-S485 PolarHBondContact NH1-OG 3.18Å; N481-S485 VanDerWaalsContact O-CB 3.29Å; N481-S485 WeakPolarHBondContact O-CB 3.06Å; N481-S485 PolarHBondContact O-N 3.42Å; N481-S485 PolarHBondContact O-OG 3.43Å; L482-S485 PolarHBondContact O-N 3.24Å; L482-S485 PolarHBondContact O-OG 3.13Å; F483-S485 VanDerWaalsContact C-N 3.34Å; S485-K488 PolarHBondContact O-N 3.46Å
486A93.1Very high92.5Very high1 Ų139.4 Ų39.41%0.00820%0.201CC..Hα-helixtrans-68-38.5179.300000111.9L482 F483 K488 V489 N490 M496L482-A486 WeakPolarHBondContact O-CB 3.41Å; L482-A486 PolarHBondContact O-N 3.11Å; F483-A486 PolarHBondContact O-N 3.4Å; A486-K488 VanDerWaalsContact C-N 3.3Å; A486-K488 PolarHBondContact O-N 3.1Å; A486-V489 PolarHBondContact O-N 3.16Å; A486-N490 PolarHBondContact O-N 3.02Å; A486-M496 HydrophobicContact CB-CE 3.49Å; A486-M496 VanDerWaalsContact CB-CE 3.49Å; A486-M496 HydrophobicContact CB-SD 3.83Å
487L92.7Very high92.4Very high15 Ų1540.8 Ų40.88%0.07921%0.206CC..Hα-helixtrans-62.9-32.9177.2-179.362.8000113.1F483 V489 N490 P491 M496 W497 V500 Y516F483-L487 VanDerWaalsContact O-CB 3.25Å; F483-L487 WeakPolarHBondContact O-CB 3.3Å; F483-L487 PolarHBondContact O-N 3.48Å; L487-V489 PolarHBondContact O-N 2.94Å; L487-N490 CarbonylContact O-C 3.34Å; L487-P491 WeakPolarHBondContact O-CA 3.1Å; L487-M496 HydrophobicContact CB-CB 4.19Å; L487-M496 HydrophobicContact CD1-CB 3.68Å; L487-W497 HydrophobicContact CD1-CD2 3.68Å; L487-W497 VanDerWaalsContact CD1-CE2 3.44Å; L487-W497 HydrophobicContact CD1-CE3 4.32Å; L487-W497 HydrophobicContact CD1-CG 3.88Å; L487-W497 HydrophobicContact CD1-CH2 4.4Å; L487-W497 HydrophobicContact CD1-CZ2 3.85Å; L487-W497 HydrophobicContact CD2-CD2 3.96Å; L487-W497 HydrophobicContact CD2-CE3 3.72Å; L487-W497 HydrophobicContact CD2-CH2 3.89Å; L487-W497 HydrophobicContact CD2-CZ2 4.2Å; L487-W497 HydrophobicContact CD2-CZ3 3.65Å; L487-W497 HydrophobicContact CG-CD2 4.44Å; L487-W497 HydrophobicContact CG-CH2 4.43Å; L487-W497 HydrophobicContact CG-CZ2 4.32Å; L487-V500 HydrophobicContact CD2-CG2 4.26Å; L487-Y516 HydrophobicContact CD2-CD1 4.35Å; L487-Y516 HydrophobicContact CD2-CE1 4.03Å
488K92.6Very high92.3Very high170 Ų17039.8 Ų39.874%0.73920%0.198SC*.Hα-helixtrans-62.5-27.2174.2-68.6167.9-172.1173.30112.4T484 S485 A486T484-K488 WeakPolarHBondContact O-CG 3.49Å; T484-K488 PolarHBondContact O-N 3.39Å; S485-K488 PolarHBondContact O-N 3.46Å; A486-K488 VanDerWaalsContact C-N 3.3Å; A486-K488 PolarHBondContact O-N 3.1Å
489V91.2Very high92.2Very high35 Ų3538.1 Ų38.121%0.21219%0.189CC..Hα-helixtrans-89.5-44.7179.9-178.70000111N320 L321 C322 W325 A486 L487 P491N320-V489 HydrophobicContact CB-CG1 4.04Å; N320-V489 HydrophobicContact CB-CG2 4.42Å; L321-V489 WeakPolarHBondContact O-CG2 2.93Å; C322-V489 HydrophobicContact CB-CB 4.1Å; C322-V489 HydrophobicContact CB-CG1 4.04Å; C322-V489 HydrophobicContact CB-CG2 4.44Å; W325-V489 HydrophobicContact CH2-CG1 4.29Å; A486-V489 PolarHBondContact O-N 3.16Å; L487-V489 PolarHBondContact O-N 2.94Å; V489-P491 VanDerWaalsContact O-CD 3.23Å; V489-P491 WeakPolarHBondContact O-CD 3.48Å
490N88.6Confident92.2Very high13 Ų1334.9 Ų34.97%0.0717%0.174CC..  trans-119.765.4-175-66.4-36.6000112.2C322 S329 A486 L487 N492 N493C322-N490 PolarHBondContact SG-ND2 3.15Å; S329-N490 PolarHBondContact OG-ND2 2.88Å; A486-N490 PolarHBondContact O-N 3.02Å; L487-N490 CarbonylContact O-C 3.34Å; N490-N492 PolarHBondContact O-N 3.34Å; N490-N493 HydrophobicContact CB-CB 4.19Å; N490-N493 WeakPolarHBondContact O-CB 3.31Å; N490-N493 PolarHBondContact O-N 3.28Å; N490-N493 VanDerWaalsContact O-N 3.16Å
491P89.7Confident92.3Very high57 Ų5731.8 Ų31.837%0.3716%0.162SC..THydrogen-bonded Turntrans-69-17.3-177.728.9-36.5000113.6L487 V489 N493 W497L487-P491 WeakPolarHBondContact O-CA 3.1Å; V489-P491 VanDerWaalsContact O-CD 3.23Å; V489-P491 WeakPolarHBondContact O-CD 3.48Å; P491-N493 VanDerWaalsContact C-N 3.28Å; P491-W497 PolarHBondContact O-NE1 2.88Å
492N85.7Confident92.3Very high127 Ų12732 Ų3268%0.67916%0.161SC*.THydrogen-bonded Turntrans-85.51.1177.1-62.8-30.1000113N490 V523N490-N492 PolarHBondContact O-N 3.34Å; N492-V523 VanDerWaalsContact C-CG1 3.45Å; N492-V523 WeakPolarHBondContact O-CG1 3.47Å
493N85.1Confident92.2Very high4 Ų432.4 Ų32.42%0.02116%0.164CC..  trans-97.2107.2177.6-177.3-12.2000109.7T326 L327 N490 P491 K495 M496T326-N493 PolarHBondContact O-ND2 2.89Å; L327-N493 WeakPolarHBondContact CB-OD1 3.37Å; L327-N493 WeakPolarHBondContact CD1-OD1 3.24Å; N490-N493 HydrophobicContact CB-CB 4.19Å; N490-N493 WeakPolarHBondContact O-CB 3.31Å; N490-N493 PolarHBondContact O-N 3.28Å; N490-N493 VanDerWaalsContact O-N 3.16Å; P491-N493 VanDerWaalsContact C-N 3.28Å; N493-K495 PolarHBondContact O-N 3.34Å; N493-K495 VanDerWaalsContact OD1-CB 3.29Å; N493-K495 WeakPolarHBondContact OD1-CB 3.33Å; N493-K495 PolarHBondContact OD1-N 3.42Å; N493-M496 HydrophobicContact CB-CG 3.93Å; N493-M496 WeakPolarHBondContact O-CB 3.41Å; N493-M496 PolarHBondContact O-N 3.06Å
494A87.1Confident92.3Very high6 Ų631.7 Ų31.75%0.0516%0.161CC..Hα-helixtrans-59.7-29-179.500000113.6M496 W497 N498 A520 V523 Q524A494-M496 VanDerWaalsContact C-N 3.25Å; A494-M496 PolarHBondContact O-N 2.91Å; A494-W497 PolarHBondContact O-N 3.04Å; A494-N498 PolarHBondContact O-N 2.68Å; A494-N498 PolarHBondContact O-ND2 3.36Å; A494-A520 HydrophobicContact CB-CB 4.38Å; A494-V523 HydrophobicContact CB-CB 4.47Å; A494-V523 HydrophobicContact CB-CG1 4.24Å; A494-Q524 HydrophobicContact CB-CB 3.46Å; A494-Q524 VanDerWaalsContact CB-CB 3.46Å; A494-Q524 HydrophobicContact CB-CG 4.48Å
495K88.4Confident92.3Very high66 Ų6631.6 Ų31.629%0.28716%0.159SC..Hα-helixtrans-61.8-34.1174.7-179.3-174.7-178.4-1650111.9D324 T326 L327 N493 N498 N499D324-K495 WeakPolarHBondContact OD2-CE 3.35Å; D324-K495 IonicContact OD2-NZ 2.76Å; D324-K495 PolarHBondContact OD2-NZ 3.27Å; T326-K495 PolarHBondContact OG1-NZ 3.04Å; L327-K495 HydrophobicContact CD1-CB 3.24Å; L327-K495 HydrophobicContact CD1-CD 3.65Å; L327-K495 HydrophobicContact CD1-CG 4.05Å; N493-K495 PolarHBondContact O-N 3.34Å; N493-K495 VanDerWaalsContact OD1-CB 3.29Å; N493-K495 WeakPolarHBondContact OD1-CB 3.33Å; N493-K495 PolarHBondContact OD1-N 3.42Å; K495-N498 PolarHBondContact O-N 3.33Å; K495-N499 VanDerWaalsContact O-CB 3.31Å; K495-N499 WeakPolarHBondContact O-CB 3.25Å; K495-N499 PolarHBondContact O-N 3.46Å; K495-N499 PolarHBondContact O-OD1 3Å
496M90Very high92.1Very high1 Ų135.4 Ų35.41%0.00519%0.191CC..Hα-helixtrans-65.2-43.4176.1-63.1-56.8-155.500111.8C322 D324 A486 L487 N493 A494 N499 V500C322-M496 WeakPolarHBondContact SG-CE 3.37Å; D324-M496 HydrophobicContact CB-CE 3.91Å; D324-M496 WeakPolarHBondContact O-CE 3.2Å; A486-M496 HydrophobicContact CB-CE 3.49Å; A486-M496 VanDerWaalsContact CB-CE 3.49Å; A486-M496 HydrophobicContact CB-SD 3.83Å; L487-M496 HydrophobicContact CB-CB 4.19Å; L487-M496 HydrophobicContact CD1-CB 3.68Å; N493-M496 HydrophobicContact CB-CG 3.93Å; N493-M496 WeakPolarHBondContact O-CB 3.41Å; N493-M496 PolarHBondContact O-N 3.06Å; A494-M496 VanDerWaalsContact C-N 3.25Å; A494-M496 PolarHBondContact O-N 2.91Å; M496-N499 PolarHBondContact O-N 3.44Å; M496-V500 WeakPolarHBondContact O-CG2 3.16Å; M496-V500 PolarHBondContact O-N 3.29Å; M496-V500 VanDerWaalsContact O-N 3.12Å
497W94.4Very high92.1Very high34 Ų3440 Ų4013%0.12921%0.212CC..Hα-helixtrans-63-45.6174.9-68.198.4000111.7L487 P491 A494 V500 G501 Y516 K519 A520L487-W497 HydrophobicContact CD1-CD2 3.68Å; L487-W497 VanDerWaalsContact CD1-CE2 3.44Å; L487-W497 HydrophobicContact CD1-CE3 4.32Å; L487-W497 HydrophobicContact CD1-CG 3.88Å; L487-W497 HydrophobicContact CD1-CH2 4.4Å; L487-W497 HydrophobicContact CD1-CZ2 3.85Å; L487-W497 HydrophobicContact CD2-CD2 3.96Å; L487-W497 HydrophobicContact CD2-CE3 3.72Å; L487-W497 HydrophobicContact CD2-CH2 3.89Å; L487-W497 HydrophobicContact CD2-CZ2 4.2Å; L487-W497 HydrophobicContact CD2-CZ3 3.65Å; L487-W497 HydrophobicContact CG-CD2 4.44Å; L487-W497 HydrophobicContact CG-CH2 4.43Å; L487-W497 HydrophobicContact CG-CZ2 4.32Å; P491-W497 PolarHBondContact O-NE1 2.88Å; A494-W497 PolarHBondContact O-N 3.04Å; W497-V500 PolarHBondContact O-N 2.85Å; W497-G501 PolarHBondContact O-N 2.77Å; W497-Y516 AromaticContact CE3-CD1 3.55Å; W497-Y516 HydrophobicContact CE3-CD1 3.55Å; W497-Y516 HydrophobicContact CE3-CE1 4.13Å; W497-Y516 HydrophobicContact CE3-CG 4.44Å; W497-Y516 AromaticContact CZ3-CD1 3.82Å; W497-Y516 HydrophobicContact CZ3-CD1 3.82Å; W497-Y516 AromaticContact CZ3-CE1 3.95Å; W497-Y516 HydrophobicContact CZ3-CE1 3.95Å; W497-K519 HydrophobicContact CD2-CB 3.75Å; W497-K519 HydrophobicContact CD2-CD 4.46Å; W497-K519 HydrophobicContact CE3-CB 3.52Å; W497-K519 HydrophobicContact CE3-CD 3.67Å; W497-K519 HydrophobicContact CE3-CG 4.26Å; W497-K519 HydrophobicContact CG-CB 4.36Å; W497-K519 HydrophobicContact CH2-CB 4.44Å; W497-K519 HydrophobicContact CH2-CD 3.47Å; W497-K519 VanDerWaalsContact CH2-CD 3.47Å; W497-K519 HydrophobicContact CZ2-CD 4.21Å; W497-K519 HydrophobicContact CZ3-CB 3.94Å; W497-K519 HydrophobicContact CZ3-CD 3.14Å; W497-K519 HydrophobicContact CZ3-CG 4.18Å; W497-A520 HydrophobicContact CB-CB 3.57Å
498N94.2Very high92.1Very high12 Ų1241.1 Ų41.16%0.06423%0.227CC..Hα-helixtrans-60.6-44.6176.2-80.3-37.9000112.1A494 K495 V500 G501 H502 F517 A520 D527 N533A494-N498 PolarHBondContact O-N 2.68Å; A494-N498 PolarHBondContact O-ND2 3.36Å; K495-N498 PolarHBondContact O-N 3.33Å; N498-V500 PolarHBondContact O-N 3.33Å; N498-G501 CarbonylContact O-C 3.59Å; N498-G501 WeakPolarHBondContact O-CA 3.21Å; N498-G501 PolarHBondContact O-N 3.36Å; N498-G501 VanDerWaalsContact O-N 3.15Å; N498-H502 PolarHBondContact O-CD2 3.25Å; N498-H502 PolarHBondContact O-N 2.97Å; N498-F517 WeakPolarHBondContact O-CE1 3.16Å; N498-F517 WeakPolarHBondContact OD1-CD1 3.37Å; N498-A520 WeakPolarHBondContact OD1-CB 3.35Å; N498-D527 PolarHBondContact ND2-OD2 3.33Å; N498-D527 VanDerWaalsContact ND2-OD2 3.16Å; N498-N533 PolarHBondContact OD1-ND2 3.34Å
499N93.8Very high92.3Very high27 Ų2737 Ų3714%0.14421%0.21CC..Hα-helixtrans-63.3-42.6-179.4-73.6-1.2000111.7F483 K495 M496 G501 H502 S503F483-N499 HydrophobicContact CB-CB 4.17Å; F483-N499 HydrophobicContact CD1-CB 3.82Å; F483-N499 HydrophobicContact CD2-CB 3.64Å; F483-N499 HydrophobicContact CE1-CB 4.05Å; F483-N499 HydrophobicContact CE2-CB 3.86Å; F483-N499 HydrophobicContact CG-CB 3.61Å; F483-N499 HydrophobicContact CZ-CB 4.06Å; K495-N499 VanDerWaalsContact O-CB 3.31Å; K495-N499 WeakPolarHBondContact O-CB 3.25Å; K495-N499 PolarHBondContact O-N 3.46Å; K495-N499 PolarHBondContact O-OD1 3Å; M496-N499 PolarHBondContact O-N 3.44Å; N499-G501 VanDerWaalsContact C-N 3.32Å; N499-G501 PolarHBondContact O-N 2.88Å; N499-H502 PolarHBondContact O-N 3.33Å; N499-S503 PolarHBondContact O-N 3.35Å; N499-S503 PolarHBondContact O-OG 2.79Å
500V96.1Very high92.6Very high0 Ų039 Ų390%021%0.214CC..Hα-helixtrans-61.7-42.7172.7179.10000111.1Y480 F483 T484 L487 M496 W497 N498 H502 S503 L504 Y516Y480-V500 HydrophobicContact CD2-CG1 3.99Å; Y480-V500 HydrophobicContact CE2-CG1 3.83Å; F483-V500 HydrophobicContact CB-CG2 3.56Å; T484-V500 HydrophobicContact CG2-CG1 3.76Å; T484-V500 HydrophobicContact CG2-CG2 3.86Å; L487-V500 HydrophobicContact CD2-CG2 4.26Å; M496-V500 WeakPolarHBondContact O-CG2 3.16Å; M496-V500 PolarHBondContact O-N 3.29Å; M496-V500 VanDerWaalsContact O-N 3.12Å; W497-V500 PolarHBondContact O-N 2.85Å; N498-V500 PolarHBondContact O-N 3.33Å; V500-H502 PolarHBondContact O-N 3.11Å; V500-S503 PolarHBondContact O-N 3.08Å; V500-L504 HydrophobicContact CG1-CD1 4.22Å; V500-L504 WeakPolarHBondContact O-CG 3.49Å; V500-L504 PolarHBondContact O-N 3.05Å; V500-Y516 HydrophobicContact CB-CD1 3.76Å; V500-Y516 HydrophobicContact CB-CE1 4.04Å; V500-Y516 HydrophobicContact CB-CG 4.31Å; V500-Y516 HydrophobicContact CG1-CD1 3.5Å; V500-Y516 VanDerWaalsContact CG1-CD1 3.5Å; V500-Y516 HydrophobicContact CG1-CD2 4.18Å; V500-Y516 HydrophobicContact CG1-CE1 3.4Å; V500-Y516 HydrophobicContact CG1-CE2 4.09Å; V500-Y516 HydrophobicContact CG1-CG 3.92Å
501G96.9Very high93.1Very high0 Ų042.3 Ų42.30%024%0.238CC..Hα-helixtrans-59.4-43.7175.800000112.7W497 N498 N499 L504 E505 A513W497-G501 PolarHBondContact O-N 2.77Å; N498-G501 CarbonylContact O-C 3.59Å; N498-G501 WeakPolarHBondContact O-CA 3.21Å; N498-G501 PolarHBondContact O-N 3.36Å; N498-G501 VanDerWaalsContact O-N 3.15Å; N499-G501 VanDerWaalsContact C-N 3.32Å; N499-G501 PolarHBondContact O-N 2.88Å; G501-L504 PolarHBondContact O-N 3.42Å; G501-E505 PolarHBondContact O-N 3.39Å; G501-A513 WeakPolarHBondContact O-CB 3.2Å
502H95.9Very high93.4Very high61 Ų6144.1 Ų44.128%0.28224%0.241SC..Hα-helixtrans-64.9-40.1176.6-74.6-43.9000112.8N498 N499 V500 L504 E505 A506 F517 N533 R536N498-H502 PolarHBondContact O-CD2 3.25Å; N498-H502 PolarHBondContact O-N 2.97Å; N499-H502 PolarHBondContact O-N 3.33Å; V500-H502 PolarHBondContact O-N 3.11Å; H502-L504 VanDerWaalsContact C-N 3.29Å; H502-L504 PolarHBondContact O-N 3.25Å; H502-E505 IonicContact ND1-OE2 3.67Å; H502-E505 PolarHBondContact ND1-OE2 3.3Å; H502-E505 PolarHBondContact O-N 3.03Å; H502-A506 PolarHBondContact O-N 3.05Å; H502-F517 AromaticContact CE1-CE1 3.95Å; H502-F517 AromaticContact CE1-CZ 3.96Å; H502-F517 AromaticContact ND1-CE1 3.93Å; H502-F517 AromaticContact ND1-CZ 3.63Å; H502-N533 VanDerWaalsContact CE1-CG 3.43Å; H502-N533 PolarHBondContact CE1-ND2 3.34Å; H502-N533 PolarHBondContact CE1-OD1 3.27Å; H502-N533 VanDerWaalsContact CE1-OD1 3.28Å; H502-N533 PolarHBondContact NE2-ND2 2.81Å; H502-R536 PolarHBondContact CE1-NH2 3.22Å; H502-R536 PolarHBondContact ND1-NH2 3.21Å
503S94.8Very high94Very high7 Ų738.1 Ų38.15%0.04921%0.209CC..Hα-helixtrans-61.2-38.9173.4-59.60000111.9E479 F483 N499 V500 A506 E507E479-S503 WeakPolarHBondContact CB-OG 3.42Å; F483-S503 WeakPolarHBondContact CD2-OG 3.39Å; N499-S503 PolarHBondContact O-N 3.35Å; N499-S503 PolarHBondContact O-OG 2.79Å; V500-S503 PolarHBondContact O-N 3.08Å; S503-A506 PolarHBondContact O-N 3.2Å; S503-E507 PolarHBondContact O-N 3.44Å
504L96.9Very high94.6Very high1 Ų138.7 Ų38.71%0.00521%0.212CC..Hα-helixtrans-70-38.3175.4-71.9168.8000112.9Y480 V500 G501 H502 A506 E507 G508 K509 E512 A513 Y516Y480-L504 HydrophobicContact CD2-CD2 3.92Å; Y480-L504 HydrophobicContact CD2-CG 3.99Å; Y480-L504 HydrophobicContact CE2-CD1 4.19Å; Y480-L504 HydrophobicContact CE2-CD2 3.75Å; Y480-L504 HydrophobicContact CE2-CG 3.96Å; V500-L504 HydrophobicContact CG1-CD1 4.22Å; V500-L504 WeakPolarHBondContact O-CG 3.49Å; V500-L504 PolarHBondContact O-N 3.05Å; G501-L504 PolarHBondContact O-N 3.42Å; H502-L504 VanDerWaalsContact C-N 3.29Å; H502-L504 PolarHBondContact O-N 3.25Å; L504-A506 VanDerWaalsContact C-N 3.32Å; L504-E507 CarbonylContact O-C 3.58Å; L504-E507 PolarHBondContact O-N 3.02Å; L504-G508 PolarHBondContact O-N 2.76Å; L504-K509 HydrophobicContact CB-CB 4.32Å; L504-K509 HydrophobicContact CD2-CB 4.26Å; L504-K509 HydrophobicContact CD2-CD 3.85Å; L504-K509 PolarHBondContact O-N 2.92Å; L504-E512 HydrophobicContact CD1-CB 4Å; L504-A513 HydrophobicContact CB-CB 3.84Å; L504-Y516 HydrophobicContact CD1-CD2 3.43Å; L504-Y516 VanDerWaalsContact CD1-CD2 3.43Å; L504-Y516 HydrophobicContact CD1-CE2 3.51Å; L504-Y516 HydrophobicContact CD1-CG 4.37Å
505E95.2Very high95.1Very high19 Ų1940 Ų409%0.08923%0.226CC..Hα-helixtrans-62.7-39.1173.3-76.1-170.3138.400112G501 H502 E507 G508 Y510 A513 F517 R536 T537G501-E505 PolarHBondContact O-N 3.39Å; H502-E505 IonicContact ND1-OE2 3.67Å; H502-E505 PolarHBondContact ND1-OE2 3.3Å; H502-E505 PolarHBondContact O-N 3.03Å; E505-E507 PolarHBondContact O-N 3.44Å; E505-G508 WeakPolarHBondContact O-CA 3.46Å; E505-G508 PolarHBondContact O-N 3.21Å; E505-Y510 HydrophobicContact CB-CD1 4.5Å; E505-Y510 HydrophobicContact CB-CE1 4.32Å; E505-Y510 HydrophobicContact CG-CD1 4Å; E505-Y510 HydrophobicContact CG-CE1 4.23Å; E505-A513 HydrophobicContact CG-CB 3.68Å; E505-F517 HydrophobicContact CG-CE2 3.75Å; E505-F517 HydrophobicContact CG-CZ 4.07Å; E505-F517 WeakPolarHBondContact OE1-CE2 3.47Å; E505-F517 WeakPolarHBondContact OE2-CZ 3.36Å; E505-R536 IonicContact OE1-NE 3.78Å; E505-R536 IonicContact OE1-NH2 2.7Å; E505-R536 IonicContact OE2-CZ 2.68Å; E505-R536 IonicContact OE2-NE 3.88Å; E505-R536 IonicContact OE2-NH2 2.83Å; E505-R536 PolarHBondContact OE2-NH2 3.48Å; E505-T537 PolarHBondContact OE1-OG1 2.85Å
506A91.9Very high95.5Very high87 Ų8739.4 Ų39.472%0.71922%0.223SC*.Hα-helixtrans-62.8-26.6175.600000112.5H502 S503 L504 G508H502-A506 PolarHBondContact O-N 3.05Å; S503-A506 PolarHBondContact O-N 3.2Å; L504-A506 VanDerWaalsContact C-N 3.32Å; A506-G508 VanDerWaalsContact C-N 3.34Å
507E92.7Very high95.9Very high98 Ų9839.3 Ų39.346%0.45822%0.222SC..THydrogen-bonded Turntrans-86.61.4171.5-66.5-178.5-163.500113.6S503 L504 E505 K509S503-E507 PolarHBondContact O-N 3.44Å; L504-E507 CarbonylContact O-C 3.58Å; L504-E507 PolarHBondContact O-N 3.02Å; E505-E507 PolarHBondContact O-N 3.44Å; E507-K509 VanDerWaalsContact C-N 3.28Å; E507-K509 HydrophobicContact CB-CD 4.35Å; E507-K509 HydrophobicContact CB-CG 4.35Å; E507-K509 PolarHBondContact O-N 3.38Å; E507-K509 WeakPolarHBondContact OE2-CE 3.3Å; E507-K509 IonicContact OE2-NZ 3.02Å; E507-K509 PolarHBondContact OE2-NZ 3.41Å
508G93.9Very high96Very high39 Ų3943.4 Ų43.440%0.40224%0.238SC..THydrogen-bonded Turntrans75.88.3-176.800000115L504 E505 A506 Y510L504-G508 PolarHBondContact O-N 2.76Å; E505-G508 WeakPolarHBondContact O-CA 3.46Å; E505-G508 PolarHBondContact O-N 3.21Å; A506-G508 VanDerWaalsContact C-N 3.34Å; G508-Y510 VanDerWaalsContact C-N 3.29Å; G508-Y510 VanDerWaalsContact O-CD2 3.28Å; G508-Y510 WeakPolarHBondContact O-CD2 3.32Å; G508-Y510 PolarHBondContact O-N 2.89Å
509K96.6Very high96.1Very high84 Ų8448 Ų4837%0.36526%0.257SS..  trans-86.262.3-178.1-65.6174.7-179.8161.50112L504 E507 S511 E512 A513L504-K509 HydrophobicContact CB-CB 4.32Å; L504-K509 HydrophobicContact CD2-CB 4.26Å; L504-K509 HydrophobicContact CD2-CD 3.85Å; L504-K509 PolarHBondContact O-N 2.92Å; E507-K509 VanDerWaalsContact C-N 3.28Å; E507-K509 HydrophobicContact CB-CD 4.35Å; E507-K509 HydrophobicContact CB-CG 4.35Å; E507-K509 PolarHBondContact O-N 3.38Å; E507-K509 WeakPolarHBondContact OE2-CE 3.3Å; E507-K509 IonicContact OE2-NZ 3.02Å; E507-K509 PolarHBondContact OE2-NZ 3.41Å; K509-S511 VanDerWaalsContact C-N 3.34Å; K509-S511 PolarHBondContact O-N 3.31Å; K509-E512 HydrophobicContact CB-CB 4.48Å; K509-E512 PolarHBondContact O-N 2.96Å; K509-A513 WeakPolarHBondContact O-CB 3.21Å; K509-A513 PolarHBondContact O-N 2.82Å
510Y97.5Very high96.1Very high76 Ų7646.7 Ų46.730%0.29825%0.25SS..Hα-helixtrans-61.5-35.8-173.9-61.2-68000114.2E505 G508 A513 L514 T537 N540E505-Y510 HydrophobicContact CB-CD1 4.5Å; E505-Y510 HydrophobicContact CB-CE1 4.32Å; E505-Y510 HydrophobicContact CG-CD1 4Å; E505-Y510 HydrophobicContact CG-CE1 4.23Å; G508-Y510 VanDerWaalsContact C-N 3.29Å; G508-Y510 VanDerWaalsContact O-CD2 3.28Å; G508-Y510 WeakPolarHBondContact O-CD2 3.32Å; G508-Y510 PolarHBondContact O-N 2.89Å; Y510-A513 PolarHBondContact O-N 2.99Å; Y510-L514 WeakPolarHBondContact O-CB 3.46Å; Y510-L514 PolarHBondContact O-N 2.61Å; Y510-T537 HydrophobicContact CD1-CG2 4.32Å; Y510-T537 WeakPolarHBondContact O-CG2 3.28Å; Y510-N540 HydrophobicContact CD1-CB 3.69Å; Y510-N540 HydrophobicContact CD2-CB 4.1Å; Y510-N540 HydrophobicContact CE1-CB 3.79Å; Y510-N540 VanDerWaalsContact CE1-ND2 3.27Å; Y510-N540 WeakPolarHBondContact CE1-ND2 3.41Å; Y510-N540 HydrophobicContact CE2-CB 4.18Å; Y510-N540 HydrophobicContact CG-CB 3.86Å
511S97.5Very high96Very high82 Ų8247.7 Ų47.757%0.57326%0.256SS*.Hα-helixtrans-66-43.1-179.352.30000112.2K509K509-S511 VanDerWaalsContact C-N 3.34Å; K509-S511 PolarHBondContact O-N 3.31Å
512E97Very high95.8Very high96 Ų9653.5 Ų53.545%0.44929%0.287SS..Hα-helixtrans-68.6-46.3174.6-65.4-177.9-121.200110.6L504 K509 L514 G515 Y516L504-E512 HydrophobicContact CD1-CB 4Å; K509-E512 HydrophobicContact CB-CB 4.48Å; K509-E512 PolarHBondContact O-N 2.96Å; E512-L514 VanDerWaalsContact C-N 3.27Å; E512-L514 PolarHBondContact O-N 2.94Å; E512-G515 WeakPolarHBondContact O-CA 3.43Å; E512-G515 PolarHBondContact O-N 3.36Å; E512-Y516 WeakPolarHBondContact O-CD2 3.31Å; E512-Y516 PolarHBondContact O-N 3.38Å
513A97.9Very high95.6Very high0 Ų052.8 Ų52.80%029%0.287CS..Hα-helixtrans-55.3-42.1178.200000112.3G501 L504 E505 K509 Y510 G515 Y516 F517G501-A513 WeakPolarHBondContact O-CB 3.2Å; L504-A513 HydrophobicContact CB-CB 3.84Å; E505-A513 HydrophobicContact CG-CB 3.68Å; K509-A513 WeakPolarHBondContact O-CB 3.21Å; K509-A513 PolarHBondContact O-N 2.82Å; Y510-A513 PolarHBondContact O-N 2.99Å; A513-G515 PolarHBondContact O-N 2.99Å; A513-Y516 PolarHBondContact O-N 3.45Å; A513-F517 HydrophobicContact CB-CD2 4.31Å; A513-F517 HydrophobicContact CB-CE2 3.87Å; A513-F517 WeakPolarHBondContact O-CD2 3.24Å; A513-F517 PolarHBondContact O-N 3.38Å
514L98.2Very high95.2Very high16 Ų1656.3 Ų56.38%0.08430%0.303CS..Hα-helixtrans-56.1-39.3176179.466.4000112.1Y510 E512 Y516 F517 R518 V534 T537 Y538 L541Y510-L514 WeakPolarHBondContact O-CB 3.46Å; Y510-L514 PolarHBondContact O-N 2.61Å; E512-L514 VanDerWaalsContact C-N 3.27Å; E512-L514 PolarHBondContact O-N 2.94Å; L514-Y516 VanDerWaalsContact C-N 3.34Å; L514-F517 PolarHBondContact O-N 2.98Å; L514-R518 HydrophobicContact CD1-CG 4.34Å; L514-R518 WeakPolarHBondContact O-CB 3.4Å; L514-R518 VanDerWaalsContact O-CG 3.31Å; L514-R518 WeakPolarHBondContact O-CG 3.4Å; L514-R518 PolarHBondContact O-N 2.71Å; L514-V534 HydrophobicContact CD1-CG1 3.92Å; L514-T537 HydrophobicContact CB-CG2 3.84Å; L514-T537 HydrophobicContact CD1-CG2 4.48Å; L514-Y538 HydrophobicContact CD1-CD1 4.23Å; L514-Y538 HydrophobicContact CD1-CD2 4.35Å; L514-Y538 HydrophobicContact CD1-CE1 3.9Å; L514-Y538 HydrophobicContact CD1-CE2 4.06Å; L514-Y538 HydrophobicContact CD1-CG 4.42Å; L514-Y538 HydrophobicContact CD2-CD1 3.97Å; L514-Y538 HydrophobicContact CD2-CE1 3.41Å; L514-Y538 VanDerWaalsContact CD2-CE1 3.41Å; L514-Y538 HydrophobicContact CG-CE1 4.29Å; L514-L541 HydrophobicContact CB-CD1 4.25Å; L514-L541 HydrophobicContact CD2-CD1 3.81Å
515G97.2Very high94.7Very high34 Ų3459.2 Ų59.235%0.35132%0.322SS..Hα-helixtrans-61.6-41.3175.700000112.5E512 A513 K519E512-G515 WeakPolarHBondContact O-CA 3.43Å; E512-G515 PolarHBondContact O-N 3.36Å; A513-G515 PolarHBondContact O-N 2.99Å; G515-K519 WeakPolarHBondContact O-CG 3.49Å; G515-K519 PolarHBondContact O-N 2.96Å; G515-K519 VanDerWaalsContact O-N 3.16Å
516Y97.3Very high94.1Very high53 Ų5362.8 Ų62.821%0.20834%0.341CS..Hα-helixtrans-69.5-45.1176.1-76.2-89.9000112.2L487 W497 V500 L504 E512 A513 L514 R518 K519 A520L487-Y516 HydrophobicContact CD2-CD1 4.35Å; L487-Y516 HydrophobicContact CD2-CE1 4.03Å; W497-Y516 AromaticContact CE3-CD1 3.55Å; W497-Y516 HydrophobicContact CE3-CD1 3.55Å; W497-Y516 HydrophobicContact CE3-CE1 4.13Å; W497-Y516 HydrophobicContact CE3-CG 4.44Å; W497-Y516 AromaticContact CZ3-CD1 3.82Å; W497-Y516 HydrophobicContact CZ3-CD1 3.82Å; W497-Y516 AromaticContact CZ3-CE1 3.95Å; W497-Y516 HydrophobicContact CZ3-CE1 3.95Å; V500-Y516 HydrophobicContact CB-CD1 3.76Å; V500-Y516 HydrophobicContact CB-CE1 4.04Å; V500-Y516 HydrophobicContact CB-CG 4.31Å; V500-Y516 HydrophobicContact CG1-CD1 3.5Å; V500-Y516 VanDerWaalsContact CG1-CD1 3.5Å; V500-Y516 HydrophobicContact CG1-CD2 4.18Å; V500-Y516 HydrophobicContact CG1-CE1 3.4Å; V500-Y516 HydrophobicContact CG1-CE2 4.09Å; V500-Y516 HydrophobicContact CG1-CG 3.92Å; L504-Y516 HydrophobicContact CD1-CD2 3.43Å; L504-Y516 VanDerWaalsContact CD1-CD2 3.43Å; L504-Y516 HydrophobicContact CD1-CE2 3.51Å; L504-Y516 HydrophobicContact CD1-CG 4.37Å; E512-Y516 WeakPolarHBondContact O-CD2 3.31Å; E512-Y516 PolarHBondContact O-N 3.38Å; A513-Y516 PolarHBondContact O-N 3.45Å; L514-Y516 VanDerWaalsContact C-N 3.34Å; Y516-R518 PolarHBondContact O-N 2.86Å; Y516-K519 WeakPolarHBondContact O-CB 3.2Å; Y516-K519 PolarHBondContact O-N 3.12Å; Y516-K519 VanDerWaalsContact O-N 3.16Å; Y516-A520 PolarHBondContact O-N 2.8Å
517F97.4Very high93.8Very high0 Ų060.7 Ų60.70%032%0.318CS..Hα-helixtrans-63.9-39.8177.4-63.4-49.8000112.7N498 H502 E505 A513 L514 K519 A520 V521 N533 V534 T537N498-F517 WeakPolarHBondContact O-CE1 3.16Å; N498-F517 WeakPolarHBondContact OD1-CD1 3.37Å; H502-F517 AromaticContact CE1-CE1 3.95Å; H502-F517 AromaticContact CE1-CZ 3.96Å; H502-F517 AromaticContact ND1-CE1 3.93Å; H502-F517 AromaticContact ND1-CZ 3.63Å; E505-F517 HydrophobicContact CG-CE2 3.75Å; E505-F517 HydrophobicContact CG-CZ 4.07Å; E505-F517 WeakPolarHBondContact OE1-CE2 3.47Å; E505-F517 WeakPolarHBondContact OE2-CZ 3.36Å; A513-F517 HydrophobicContact CB-CD2 4.31Å; A513-F517 HydrophobicContact CB-CE2 3.87Å; A513-F517 WeakPolarHBondContact O-CD2 3.24Å; A513-F517 PolarHBondContact O-N 3.38Å; L514-F517 PolarHBondContact O-N 2.98Å; F517-K519 VanDerWaalsContact C-N 3.31Å; F517-K519 PolarHBondContact O-N 3.5Å; F517-A520 VanDerWaalsContact O-CB 3.28Å; F517-A520 WeakPolarHBondContact O-CB 3.3Å; F517-A520 PolarHBondContact O-N 3.07Å; F517-A520 VanDerWaalsContact O-N 3.11Å; F517-V521 WeakPolarHBondContact O-CG2 3.44Å; F517-V521 PolarHBondContact O-N 3.18Å; F517-N533 HydrophobicContact CB-CB 4.4Å; F517-N533 HydrophobicContact CD1-CB 3.61Å; F517-N533 HydrophobicContact CD2-CB 4.1Å; F517-N533 HydrophobicContact CE1-CB 3.74Å; F517-N533 HydrophobicContact CE2-CB 4.23Å; F517-N533 HydrophobicContact CG-CB 3.8Å; F517-N533 HydrophobicContact CZ-CB 4.06Å; F517-V534 HydrophobicContact CB-CG2 3.55Å; F517-T537 VanDerWaalsContact CD2-OG1 3.25Å; F517-T537 WeakPolarHBondContact CD2-OG1 3.4Å; F517-T537 VanDerWaalsContact CE2-OG1 3.24Å; F517-T537 WeakPolarHBondContact CE2-OG1 3.41Å
518R97Very high93.5Very high120 Ų12057.1 Ų57.145%0.45330%0.302SS..Hα-helixtrans-60.4-41172.7-78.7171.5156.9-166.1-17.4111.9L514 Y516 A520 V521 N522 V534 Y538L514-R518 HydrophobicContact CD1-CG 4.34Å; L514-R518 WeakPolarHBondContact O-CB 3.4Å; L514-R518 VanDerWaalsContact O-CG 3.31Å; L514-R518 WeakPolarHBondContact O-CG 3.4Å; L514-R518 PolarHBondContact O-N 2.71Å; Y516-R518 PolarHBondContact O-N 2.86Å; R518-A520 VanDerWaalsContact C-N 3.34Å; R518-V521 PolarHBondContact O-N 2.89Å; R518-N522 VanDerWaalsContact O-CG 3.23Å; R518-N522 PolarHBondContact O-N 3.24Å; R518-N522 PolarHBondContact O-OD1 3.41Å; R518-V534 HydrophobicContact CG-CG1 4.48Å; R518-V534 HydrophobicContact CG-CG2 4.24Å; R518-Y538 PolarHBondContact NE-OH 2.88Å; R518-Y538 PolarHBondContact NH2-OH 2.89Å
519K95.7Very high93.2Very high108 Ų10855.7 Ų55.747%0.4729%0.287SS..Hα-helixtrans-65.1-37.1173.5-74.7-177.6179.41800112.1W497 G515 Y516 F517 V521 N522 V523W497-K519 HydrophobicContact CD2-CB 3.75Å; W497-K519 HydrophobicContact CD2-CD 4.46Å; W497-K519 HydrophobicContact CE3-CB 3.52Å; W497-K519 HydrophobicContact CE3-CD 3.67Å; W497-K519 HydrophobicContact CE3-CG 4.26Å; W497-K519 HydrophobicContact CG-CB 4.36Å; W497-K519 HydrophobicContact CH2-CB 4.44Å; W497-K519 HydrophobicContact CH2-CD 3.47Å; W497-K519 VanDerWaalsContact CH2-CD 3.47Å; W497-K519 HydrophobicContact CZ2-CD 4.21Å; W497-K519 HydrophobicContact CZ3-CB 3.94Å; W497-K519 HydrophobicContact CZ3-CD 3.14Å; W497-K519 HydrophobicContact CZ3-CG 4.18Å; G515-K519 WeakPolarHBondContact O-CG 3.49Å; G515-K519 PolarHBondContact O-N 2.96Å; G515-K519 VanDerWaalsContact O-N 3.16Å; Y516-K519 WeakPolarHBondContact O-CB 3.2Å; Y516-K519 PolarHBondContact O-N 3.12Å; Y516-K519 VanDerWaalsContact O-N 3.16Å; F517-K519 VanDerWaalsContact C-N 3.31Å; F517-K519 PolarHBondContact O-N 3.5Å; K519-V521 PolarHBondContact O-N 2.78Å; K519-N522 PolarHBondContact O-N 2.81Å; K519-V523 WeakPolarHBondContact O-CB 3.44Å; K519-V523 WeakPolarHBondContact O-CG2 3.32Å; K519-V523 PolarHBondContact O-N 3.12Å
520A94.3Very high92.9Very high0 Ų051.7 Ų51.70%027%0.27CS..Hα-helixtrans-58.4-4717300000111.4A494 W497 N498 Y516 F517 R518 N522 V523 Q524 A530A494-A520 HydrophobicContact CB-CB 4.38Å; W497-A520 HydrophobicContact CB-CB 3.57Å; N498-A520 WeakPolarHBondContact OD1-CB 3.35Å; Y516-A520 PolarHBondContact O-N 2.8Å; F517-A520 VanDerWaalsContact O-CB 3.28Å; F517-A520 WeakPolarHBondContact O-CB 3.3Å; F517-A520 PolarHBondContact O-N 3.07Å; F517-A520 VanDerWaalsContact O-N 3.11Å; R518-A520 VanDerWaalsContact C-N 3.34Å; A520-N522 PolarHBondContact O-N 2.92Å; A520-V523 PolarHBondContact O-N 3Å; A520-Q524 PolarHBondContact O-N 3.07Å; A520-A530 HydrophobicContact CB-CB 3.98Å
521V93.5Very high92.7Very high20 Ų2049.5 Ų49.512%0.12126%0.261CS..Hα-helixtrans-62.5-41.6175.5176.60000111.6F517 R518 K519 V523 Q524 P525 A530 R531 V534F517-V521 WeakPolarHBondContact O-CG2 3.44Å; F517-V521 PolarHBondContact O-N 3.18Å; R518-V521 PolarHBondContact O-N 2.89Å; K519-V521 PolarHBondContact O-N 2.78Å; V521-V523 VanDerWaalsContact C-N 3.33Å; V521-V523 PolarHBondContact O-N 3.09Å; V521-Q524 CarbonylContact O-C 3.25Å; V521-Q524 PolarHBondContact O-N 3.05Å; V521-P525 WeakPolarHBondContact O-CA 3.47Å; V521-P525 WeakPolarHBondContact O-CG 3.03Å; V521-A530 HydrophobicContact CG2-CB 3.66Å; V521-R531 HydrophobicContact CB-CG 4.49Å; V521-R531 HydrophobicContact CG1-CG 3.9Å; V521-R531 HydrophobicContact CG2-CB 4.42Å; V521-R531 HydrophobicContact CG2-CG 3.68Å; V521-V534 HydrophobicContact CG2-CG2 3.91Å
522N93.9Very high92.6Very high123 Ų12346.1 Ų46.166%0.65824%0.236SC*.Hα-helixtrans-65.3-37.7177.9-70-14.5000112.5R518 K519 A520R518-N522 VanDerWaalsContact O-CG 3.23Å; R518-N522 PolarHBondContact O-N 3.24Å; R518-N522 PolarHBondContact O-OD1 3.41Å; K519-N522 PolarHBondContact O-N 2.81Å; A520-N522 PolarHBondContact O-N 2.92Å
523V90.2Very high92.5Very high46 Ų4642.1 Ų42.128%0.27922%0.218SC..Hα-helixtrans-70.6-41.7178.31700000110.6N492 A494 K519 A520 V521N492-V523 VanDerWaalsContact C-CG1 3.45Å; N492-V523 WeakPolarHBondContact O-CG1 3.47Å; A494-V523 HydrophobicContact CB-CB 4.47Å; A494-V523 HydrophobicContact CB-CG1 4.24Å; K519-V523 WeakPolarHBondContact O-CB 3.44Å; K519-V523 WeakPolarHBondContact O-CG2 3.32Å; K519-V523 PolarHBondContact O-N 3.12Å; A520-V523 PolarHBondContact O-N 3Å; V521-V523 VanDerWaalsContact C-N 3.33Å; V521-V523 PolarHBondContact O-N 3.09Å
524Q86.6Confident92.5Very high81 Ų8142.7 Ų42.738%0.37922%0.221SC..  trans-132.485.9178.7-166.967.329.200111A494 A520 V521 N526 D527A494-Q524 HydrophobicContact CB-CB 3.46Å; A494-Q524 VanDerWaalsContact CB-CB 3.46Å; A494-Q524 HydrophobicContact CB-CG 4.48Å; A520-Q524 PolarHBondContact O-N 3.07Å; V521-Q524 CarbonylContact O-C 3.25Å; V521-Q524 PolarHBondContact O-N 3.05Å; Q524-N526 VanDerWaalsContact CG-OD1 3.23Å; Q524-N526 WeakPolarHBondContact CG-OD1 3.34Å; Q524-N526 PolarHBondContact NE2-OD1 2.96Å; Q524-N526 PolarHBondContact O-N 2.83Å; Q524-D527 HydrophobicContact CB-CB 4.17Å; Q524-D527 HydrophobicContact CG-CB 4Å; Q524-D527 WeakPolarHBondContact O-CB 3.34Å; Q524-D527 PolarHBondContact O-N 3.05Å
525P87.9Confident92.4Very high62 Ų6241.9 Ų41.940%0.40322%0.217SC..THydrogen-bonded Turntrans-66.3-10.2-175.3-2535000115.5V521 R531 Y557V521-P525 WeakPolarHBondContact O-CA 3.47Å; V521-P525 WeakPolarHBondContact O-CG 3.03Å; P525-R531 PolarHBondContact O-NH1 2.61Å; P525-R531 PolarHBondContact O-NH2 2.65Å; P525-Y557 VanDerWaalsContact O-CE1 3.29Å; P525-Y557 WeakPolarHBondContact O-CE1 3.43Å; P525-Y557 PolarHBondContact O-OH 3.04Å
526N82.9Confident92.3Very high93 Ų9344.5 Ų44.550%0.49722%0.216SC..THydrogen-bonded Turntrans-99.31.8175.170-6.3000113.3Q524 M528 Y557Q524-N526 VanDerWaalsContact CG-OD1 3.23Å; Q524-N526 WeakPolarHBondContact CG-OD1 3.34Å; Q524-N526 PolarHBondContact NE2-OD1 2.96Å; Q524-N526 PolarHBondContact O-N 2.83Å; N526-M528 PolarHBondContact O-N 3.13Å; N526-M528 VanDerWaalsContact O-N 3.11Å; N526-Y557 VanDerWaalsContact CA-CD1 3.49Å; N526-Y557 HydrophobicContact CB-CD1 3.57Å; N526-Y557 HydrophobicContact CB-CE1 3.76Å
527D84.4Confident92.3Very high44 Ų4442 Ų4224%0.23521%0.207CC..  trans-74.499.7174.9-177.1-6.1000109.7N498 Q524 G529 A530 R531N498-D527 PolarHBondContact ND2-OD2 3.33Å; N498-D527 VanDerWaalsContact ND2-OD2 3.16Å; Q524-D527 HydrophobicContact CB-CB 4.17Å; Q524-D527 HydrophobicContact CG-CB 4Å; Q524-D527 WeakPolarHBondContact O-CB 3.34Å; Q524-D527 PolarHBondContact O-N 3.05Å; D527-G529 VanDerWaalsContact C-N 3.29Å; D527-G529 PolarHBondContact O-N 3.06Å; D527-G529 WeakPolarHBondContact OD1-CA 3.49Å; D527-G529 PolarHBondContact OD1-N 2.64Å; D527-A530 HydrophobicContact CB-CB 3.93Å; D527-A530 PolarHBondContact O-N 2.95Å; D527-A530 PolarHBondContact OD1-N 3.27Å; D527-R531 PolarHBondContact O-N 3.39Å
528M85.7Confident92.3Very high22 Ų2242.6 Ų42.611%0.10821%0.209CC..Hα-helixtrans-61.7-38.3175.9-71-173.8-73.400111.7N526 A530 R531 I532 F558 D575N526-M528 PolarHBondContact O-N 3.13Å; N526-M528 VanDerWaalsContact O-N 3.11Å; M528-A530 VanDerWaalsContact C-N 3.34Å; M528-A530 PolarHBondContact O-N 3.23Å; M528-R531 PolarHBondContact O-N 3.25Å; M528-I532 VanDerWaalsContact O-CG1 3.25Å; M528-I532 WeakPolarHBondContact O-CG1 3.28Å; M528-I532 PolarHBondContact O-N 3.17Å; M528-F558 HydrophobicContact SD-CD2 3.75Å; M528-F558 HydrophobicContact SD-CE2 3.9Å; M528-F558 HydrophobicContact SD-CG 4.31Å; M528-D575 HydrophobicContact CE-CB 3.99Å; M528-D575 WeakPolarHBondContact CE-OD2 3.48Å; M528-D575 HydrophobicContact SD-CB 4.44Å
529G88.2Confident92.3Very high10 Ų1040 Ų4010%0.10321%0.206CC..Hα-helixtrans-60.4-43.7178.800000112D527 R531 I532 N533D527-G529 VanDerWaalsContact C-N 3.29Å; D527-G529 PolarHBondContact O-N 3.06Å; D527-G529 WeakPolarHBondContact OD1-CA 3.49Å; D527-G529 PolarHBondContact OD1-N 2.64Å; G529-R531 VanDerWaalsContact C-N 3.34Å; G529-R531 PolarHBondContact O-N 3.26Å; G529-I532 PolarHBondContact O-N 3.25Å; G529-N533 PolarHBondContact O-N 3.45Å; G529-N533 PolarHBondContact O-ND2 2.88Å; G529-N533 PolarHBondContact O-OD1 3.04Å
530A90.4Very high92.3Very high0 Ų038.7 Ų38.70%020%0.204CC..Hα-helixtrans-59.4-42.3175.100000112.4A520 V521 D527 M528 N533 V534A520-A530 HydrophobicContact CB-CB 3.98Å; V521-A530 HydrophobicContact CG2-CB 3.66Å; D527-A530 HydrophobicContact CB-CB 3.93Å; D527-A530 PolarHBondContact O-N 2.95Å; D527-A530 PolarHBondContact OD1-N 3.27Å; M528-A530 VanDerWaalsContact C-N 3.34Å; M528-A530 PolarHBondContact O-N 3.23Å; A530-N533 WeakPolarHBondContact O-CB 3.34Å; A530-N533 PolarHBondContact O-N 2.66Å; A530-V534 WeakPolarHBondContact O-CG2 3.2Å; A530-V534 PolarHBondContact O-N 3.42Å
531R93.8Very high92.4Very high30 Ų3041.2 Ų41.211%0.11322%0.218CC..Hα-helixtrans-70.1-38.7177.3-72.5-158.6-179.395.4-3.6113.3V521 P525 D527 M528 G529 N533 V534 G535 G553 A554 Y557V521-R531 HydrophobicContact CB-CG 4.49Å; V521-R531 HydrophobicContact CG1-CG 3.9Å; V521-R531 HydrophobicContact CG2-CB 4.42Å; V521-R531 HydrophobicContact CG2-CG 3.68Å; P525-R531 PolarHBondContact O-NH1 2.61Å; P525-R531 PolarHBondContact O-NH2 2.65Å; D527-R531 PolarHBondContact O-N 3.39Å; M528-R531 PolarHBondContact O-N 3.25Å; G529-R531 VanDerWaalsContact C-N 3.34Å; G529-R531 PolarHBondContact O-N 3.26Å; R531-N533 PolarHBondContact O-N 2.85Å; R531-V534 WeakPolarHBondContact O-CB 3.41Å; R531-V534 PolarHBondContact O-N 2.99Å; R531-G535 PolarHBondContact O-N 2.77Å; R531-G553 VanDerWaalsContact CD-O 3.32Å; R531-G553 WeakPolarHBondContact CD-O 3.44Å; R531-G553 PolarHBondContact NE-O 3.04Å; R531-G553 PolarHBondContact NH1-O 3.4Å; R531-A554 HydrophobicContact CB-CB 3.69Å; R531-Y557 VanDerWaalsContact NH2-CZ 3.27Å; R531-Y557 PolarHBondContact NH2-OH 2.99Å
532I94.5Very high92.4Very high11 Ų1143.2 Ų43.26%0.05624%0.243CC..Hα-helixtrans-59.3-41.5173.7-68.5166.1000109.8M528 G529 G535 R536 A554 V578M528-I532 VanDerWaalsContact O-CG1 3.25Å; M528-I532 WeakPolarHBondContact O-CG1 3.28Å; M528-I532 PolarHBondContact O-N 3.17Å; G529-I532 PolarHBondContact O-N 3.25Å; I532-G535 PolarHBondContact O-N 3.03Å; I532-R536 WeakPolarHBondContact O-CB 3.44Å; I532-R536 PolarHBondContact O-N 2.87Å; I532-A554 HydrophobicContact CG1-CB 4.19Å; I532-V578 HydrophobicContact CD1-CB 3.94Å; I532-V578 HydrophobicContact CG1-CB 3.86Å; I532-V578 HydrophobicContact CG1-CG2 4.13Å
533N95.7Very high92.5Very high11 Ų1141 Ų416%0.05923%0.229CC..Hα-helixtrans-60.5-49.7174.3-68-19000111.2N498 H502 F517 G529 A530 R531 G535 R536 T537N498-N533 PolarHBondContact OD1-ND2 3.34Å; H502-N533 VanDerWaalsContact CE1-CG 3.43Å; H502-N533 PolarHBondContact CE1-ND2 3.34Å; H502-N533 PolarHBondContact CE1-OD1 3.27Å; H502-N533 VanDerWaalsContact CE1-OD1 3.28Å; H502-N533 PolarHBondContact NE2-ND2 2.81Å; F517-N533 HydrophobicContact CB-CB 4.4Å; F517-N533 HydrophobicContact CD1-CB 3.61Å; F517-N533 HydrophobicContact CD2-CB 4.1Å; F517-N533 HydrophobicContact CE1-CB 3.74Å; F517-N533 HydrophobicContact CE2-CB 4.23Å; F517-N533 HydrophobicContact CG-CB 3.8Å; F517-N533 HydrophobicContact CZ-CB 4.06Å; G529-N533 PolarHBondContact O-N 3.45Å; G529-N533 PolarHBondContact O-ND2 2.88Å; G529-N533 PolarHBondContact O-OD1 3.04Å; A530-N533 WeakPolarHBondContact O-CB 3.34Å; A530-N533 PolarHBondContact O-N 2.66Å; R531-N533 PolarHBondContact O-N 2.85Å; N533-G535 VanDerWaalsContact C-N 3.33Å; N533-G535 PolarHBondContact O-N 3.03Å; N533-R536 PolarHBondContact O-N 3.35Å; N533-T537 PolarHBondContact O-N 3.24Å; N533-T537 PolarHBondContact O-OG1 3.39Å
534V97Very high92.7Very high12 Ų1241.5 Ų41.57%0.07323%0.233CC..Hα-helixtrans-52.7-49.8175.11710000111.6L514 F517 R518 V521 A530 R531 T537 Y538 A550L514-V534 HydrophobicContact CD1-CG1 3.92Å; F517-V534 HydrophobicContact CB-CG2 3.55Å; R518-V534 HydrophobicContact CG-CG1 4.48Å; R518-V534 HydrophobicContact CG-CG2 4.24Å; V521-V534 HydrophobicContact CG2-CG2 3.91Å; A530-V534 WeakPolarHBondContact O-CG2 3.2Å; A530-V534 PolarHBondContact O-N 3.42Å; R531-V534 WeakPolarHBondContact O-CB 3.41Å; R531-V534 PolarHBondContact O-N 2.99Å; V534-T537 PolarHBondContact O-N 3.43Å; V534-Y538 HydrophobicContact CG1-CD2 3.78Å; V534-Y538 HydrophobicContact CG1-CE2 3.35Å; V534-Y538 WeakPolarHBondContact O-CD2 3.49Å; V534-Y538 PolarHBondContact O-N 3.03Å; V534-A550 HydrophobicContact CB-CB 4.45Å; V534-A550 HydrophobicContact CG1-CB 3.9Å
535G96.5Very high93.1Very high0 Ų043.1 Ų43.10%024%0.244CC..Hα-helixtrans-61.1-45.8179.100000112.4R531 I532 N533 T537 Y538 V539 A547 Y551R531-G535 PolarHBondContact O-N 2.77Å; I532-G535 PolarHBondContact O-N 3.03Å; N533-G535 VanDerWaalsContact C-N 3.33Å; N533-G535 PolarHBondContact O-N 3.03Å; G535-T537 PolarHBondContact O-N 3.16Å; G535-Y538 WeakPolarHBondContact O-CB 3.48Å; G535-Y538 PolarHBondContact O-N 3.46Å; G535-V539 PolarHBondContact O-N 3.16Å; G535-V539 VanDerWaalsContact O-N 3.11Å; G535-A547 VanDerWaalsContact O-CB 3.27Å; G535-A547 WeakPolarHBondContact O-CB 3.27Å; G535-Y551 VanDerWaalsContact C-CZ 3.45Å; G535-Y551 VanDerWaalsContact C-OH 3.24Å; G535-Y551 PolarHBondContact O-OH 3.03Å
536R95.9Very high93.5Very high88 Ų8844.9 Ų44.933%0.33225%0.246SC..Hα-helixtrans-61-43.7177.1-177.3-178.167.8-1692.5111.8H502 E505 I532 N533 Y538 V539 N540 Y551H502-R536 PolarHBondContact CE1-NH2 3.22Å; H502-R536 PolarHBondContact ND1-NH2 3.21Å; E505-R536 IonicContact OE1-NE 3.78Å; E505-R536 IonicContact OE1-NH2 2.7Å; E505-R536 IonicContact OE2-CZ 2.68Å; E505-R536 IonicContact OE2-NE 3.88Å; E505-R536 IonicContact OE2-NH2 2.83Å; E505-R536 PolarHBondContact OE2-NH2 3.48Å; I532-R536 WeakPolarHBondContact O-CB 3.44Å; I532-R536 PolarHBondContact O-N 2.87Å; N533-R536 PolarHBondContact O-N 3.35Å; R536-Y538 VanDerWaalsContact C-N 3.29Å; R536-Y538 PolarHBondContact O-N 3.47Å; R536-V539 WeakPolarHBondContact O-CB 3.18Å; R536-V539 PolarHBondContact O-N 3.24Å; R536-N540 PolarHBondContact O-N 2.93Å; R536-N540 VanDerWaalsContact O-N 3.12Å; R536-Y551 WeakPolarHBondContact CA-OH 3.32Å; R536-Y551 PolarHBondContact N-OH 3.1Å
537T97.2Very high94.2Very high0 Ų040.4 Ų40.40%022%0.222CC..Hα-helixtrans-64.6-35.8178.1-47.80000111.2E505 Y510 L514 F517 N533 V534 G535 N540 L541E505-T537 PolarHBondContact OE1-OG1 2.85Å; Y510-T537 HydrophobicContact CD1-CG2 4.32Å; Y510-T537 WeakPolarHBondContact O-CG2 3.28Å; L514-T537 HydrophobicContact CB-CG2 3.84Å; L514-T537 HydrophobicContact CD1-CG2 4.48Å; F517-T537 VanDerWaalsContact CD2-OG1 3.25Å; F517-T537 WeakPolarHBondContact CD2-OG1 3.4Å; F517-T537 VanDerWaalsContact CE2-OG1 3.24Å; F517-T537 WeakPolarHBondContact CE2-OG1 3.41Å; N533-T537 PolarHBondContact O-N 3.24Å; N533-T537 PolarHBondContact O-OG1 3.39Å; V534-T537 PolarHBondContact O-N 3.43Å; G535-T537 PolarHBondContact O-N 3.16Å; T537-N540 PolarHBondContact O-N 3.41Å; T537-L541 HydrophobicContact CG2-CD1 4.19Å; T537-L541 VanDerWaalsContact O-CG 3.31Å; T537-L541 WeakPolarHBondContact O-CG 3.34Å; T537-L541 PolarHBondContact O-N 2.96Å
538Y98Very high94.7Very high14 Ų1439.9 Ų39.96%0.05522%0.218CC..Hα-helixtrans-62.7-39.3172.1-79.4-52.6000113.6L514 R518 V534 G535 R536 N540 L541 G542 M543 K546 A550L514-Y538 HydrophobicContact CD1-CD1 4.23Å; L514-Y538 HydrophobicContact CD1-CD2 4.35Å; L514-Y538 HydrophobicContact CD1-CE1 3.9Å; L514-Y538 HydrophobicContact CD1-CE2 4.06Å; L514-Y538 HydrophobicContact CD1-CG 4.42Å; L514-Y538 HydrophobicContact CD2-CD1 3.97Å; L514-Y538 HydrophobicContact CD2-CE1 3.41Å; L514-Y538 VanDerWaalsContact CD2-CE1 3.41Å; L514-Y538 HydrophobicContact CG-CE1 4.29Å; R518-Y538 PolarHBondContact NE-OH 2.88Å; R518-Y538 PolarHBondContact NH2-OH 2.89Å; V534-Y538 HydrophobicContact CG1-CD2 3.78Å; V534-Y538 HydrophobicContact CG1-CE2 3.35Å; V534-Y538 WeakPolarHBondContact O-CD2 3.49Å; V534-Y538 PolarHBondContact O-N 3.03Å; G535-Y538 WeakPolarHBondContact O-CB 3.48Å; G535-Y538 PolarHBondContact O-N 3.46Å; R536-Y538 VanDerWaalsContact C-N 3.29Å; R536-Y538 PolarHBondContact O-N 3.47Å; Y538-N540 VanDerWaalsContact C-N 3.34Å; Y538-L541 CarbonylContact O-C 3.05Å; Y538-L541 PolarHBondContact O-N 3.38Å; Y538-G542 PolarHBondContact O-N 3.25Å; Y538-M543 HydrophobicContact CD1-CB 4.08Å; Y538-M543 HydrophobicContact CD1-SD 4.11Å; Y538-M543 HydrophobicContact CE1-SD 4.33Å; Y538-M543 PolarHBondContact O-N 2.88Å; Y538-K546 HydrophobicContact CD1-CB 3.86Å; Y538-K546 HydrophobicContact CD1-CD 4.24Å; Y538-K546 HydrophobicContact CD2-CB 3.89Å; Y538-K546 HydrophobicContact CE1-CB 3.95Å; Y538-K546 HydrophobicContact CE1-CD 3.79Å; Y538-K546 HydrophobicContact CE2-CB 3.96Å; Y538-K546 HydrophobicContact CG-CB 3.85Å; Y538-A550 HydrophobicContact CD2-CB 4.24Å; Y538-A550 HydrophobicContact CE2-CB 4.36Å
539V95.8Very high95.2Very high65 Ų6545.7 Ų45.739%0.39425%0.245SC..Hα-helixtrans-59.5-47.7174.2176.90000110.1G535 R536 L541 G542 A547 Y551 L585G535-V539 PolarHBondContact O-N 3.16Å; G535-V539 VanDerWaalsContact O-N 3.11Å; R536-V539 WeakPolarHBondContact O-CB 3.18Å; R536-V539 PolarHBondContact O-N 3.24Å; V539-L541 PolarHBondContact O-N 2.87Å; V539-G542 PolarHBondContact O-N 3.42Å; V539-A547 HydrophobicContact CG2-CB 3.52Å; V539-Y551 HydrophobicContact CG2-CE2 4.28Å; V539-L585 HydrophobicContact CG2-CD1 4.19Å
540N95.1Very high95.5Very high80 Ų8046 Ų4643%0.42825%0.246SC..Hα-helixtrans-63-26.5177.2-73.1-34.8000113.4Y510 R536 T537 Y538 G542Y510-N540 HydrophobicContact CD1-CB 3.69Å; Y510-N540 HydrophobicContact CD2-CB 4.1Å; Y510-N540 HydrophobicContact CE1-CB 3.79Å; Y510-N540 VanDerWaalsContact CE1-ND2 3.27Å; Y510-N540 WeakPolarHBondContact CE1-ND2 3.41Å; Y510-N540 HydrophobicContact CE2-CB 4.18Å; Y510-N540 HydrophobicContact CG-CB 3.86Å; R536-N540 PolarHBondContact O-N 2.93Å; R536-N540 VanDerWaalsContact O-N 3.12Å; T537-N540 PolarHBondContact O-N 3.41Å; Y538-N540 VanDerWaalsContact C-N 3.34Å; N540-G542 VanDerWaalsContact C-N 3.31Å
541L96.3Very high95.8Very high54 Ų5446.1 Ų46.128%0.28325%0.247SC..THydrogen-bonded Turntrans-86.44.6174.7-70.2169.8000113.7L514 T537 Y538 V539 M543L514-L541 HydrophobicContact CB-CD1 4.25Å; L514-L541 HydrophobicContact CD2-CD1 3.81Å; T537-L541 HydrophobicContact CG2-CD1 4.19Å; T537-L541 VanDerWaalsContact O-CG 3.31Å; T537-L541 WeakPolarHBondContact O-CG 3.34Å; T537-L541 PolarHBondContact O-N 2.96Å; Y538-L541 CarbonylContact O-C 3.05Å; Y538-L541 PolarHBondContact O-N 3.38Å; V539-L541 PolarHBondContact O-N 2.87Å; L541-M543 HydrophobicContact CB-CG 4.46Å
542G94.8Very high95.8Very high62 Ų6249.4 Ų49.464%0.63926%0.26SS*.THydrogen-bonded Turntrans71.127.4-179.600000114.1Y538 V539 N540 P544Y538-G542 PolarHBondContact O-N 3.25Å; V539-G542 PolarHBondContact O-N 3.42Å; N540-G542 VanDerWaalsContact C-N 3.31Å; G542-P544 VanDerWaalsContact C-CD 3.41Å; G542-P544 VanDerWaalsContact O-CD 3.23Å; G542-P544 WeakPolarHBondContact O-CD 3.5Å
543M95.9Very high95.6Very high77 Ų7749.6 Ų49.638%0.37927%0.265SS..  trans-116.168.4-178.4-59-173.9-17000111.8Y538 L541 D545 K546 A547Y538-M543 HydrophobicContact CD1-CB 4.08Å; Y538-M543 HydrophobicContact CD1-SD 4.11Å; Y538-M543 HydrophobicContact CE1-SD 4.33Å; Y538-M543 PolarHBondContact O-N 2.88Å; L541-M543 HydrophobicContact CB-CG 4.46Å; M543-D545 PolarHBondContact O-N 3.48Å; M543-K546 HydrophobicContact CB-CB 4.34Å; M543-K546 HydrophobicContact CB-CD 4.43Å; M543-K546 PolarHBondContact O-N 2.91Å; M543-K546 HydrophobicContact SD-CD 3.98Å; M543-A547 PolarHBondContact O-N 3.03Å
544P94.7Very high95.4Very high56 Ų5649.1 Ų49.136%0.36426%0.262SS..Hα-helixtrans-62.6-35.8-17325.5-34.7000113.6G542 K546 A547 E548 L585G542-P544 VanDerWaalsContact C-CD 3.41Å; G542-P544 VanDerWaalsContact O-CD 3.23Å; G542-P544 WeakPolarHBondContact O-CD 3.5Å; P544-K546 VanDerWaalsContact C-N 3.35Å; P544-K546 PolarHBondContact O-N 3.27Å; P544-A547 WeakPolarHBondContact O-CB 3.39Å; P544-A547 PolarHBondContact O-N 3.5Å; P544-E548 WeakPolarHBondContact O-CB 3.4Å; P544-E548 PolarHBondContact O-N 2.83Å; P544-L585 HydrophobicContact CB-CD1 4.35Å; P544-L585 HydrophobicContact CB-CD2 4.29Å; P544-L585 HydrophobicContact CB-CG 4.23Å; P544-L585 WeakPolarHBondContact O-CD1 3.22Å
545D94.3Very high95.1Very high114 Ų11449.3 Ų49.361%0.6126%0.262SS*.Hα-helixtrans-67.2-37.3-178.3-57.8-38.5000112.1M543 E548 E549 K589M543-D545 PolarHBondContact O-N 3.48Å; D545-E548 PolarHBondContact O-N 3.29Å; D545-E549 PolarHBondContact O-N 3.38Å; D545-E549 VanDerWaalsContact O-N 3.13Å; D545-K589 IonicContact OD1-NZ 3.48Å
546K96.5Very high94.7Very high99 Ų9956.4 Ų56.443%0.4330%0.296SS..Hα-helixtrans-71.8-33.9173.5-68-178.8-179167.20112.1Y538 M543 P544 E548 A550Y538-K546 HydrophobicContact CD1-CB 3.86Å; Y538-K546 HydrophobicContact CD1-CD 4.24Å; Y538-K546 HydrophobicContact CD2-CB 3.89Å; Y538-K546 HydrophobicContact CE1-CB 3.95Å; Y538-K546 HydrophobicContact CE1-CD 3.79Å; Y538-K546 HydrophobicContact CE2-CB 3.96Å; Y538-K546 HydrophobicContact CG-CB 3.85Å; M543-K546 HydrophobicContact CB-CB 4.34Å; M543-K546 HydrophobicContact CB-CD 4.43Å; M543-K546 PolarHBondContact O-N 2.91Å; M543-K546 HydrophobicContact SD-CD 3.98Å; P544-K546 VanDerWaalsContact C-N 3.35Å; P544-K546 PolarHBondContact O-N 3.27Å; K546-E548 VanDerWaalsContact C-N 3.33Å; K546-A550 WeakPolarHBondContact O-CB 3.46Å; K546-A550 PolarHBondContact O-N 3.11Å
547A96.7Very high94.2Very high0 Ų056.5 Ų56.50%030%0.297CS..Hα-helixtrans-62.7-44173.400000111G535 V539 M543 P544 A550 Y551 L585G535-A547 VanDerWaalsContact O-CB 3.27Å; G535-A547 WeakPolarHBondContact O-CB 3.27Å; V539-A547 HydrophobicContact CG2-CB 3.52Å; M543-A547 PolarHBondContact O-N 3.03Å; P544-A547 WeakPolarHBondContact O-CB 3.39Å; P544-A547 PolarHBondContact O-N 3.5Å; A547-A550 PolarHBondContact O-N 3.4Å; A547-Y551 HydrophobicContact CB-CE2 4.15Å; A547-Y551 WeakPolarHBondContact O-CD2 3.5Å; A547-Y551 VanDerWaalsContact O-CG 3.27Å; A547-Y551 PolarHBondContact O-N 3.17Å; A547-L585 HydrophobicContact CB-CD1 3.68Å
548E96.2Very high93.5Very high32 Ų3257.4 Ų57.415%0.1530%0.301CS..Hα-helixtrans-58.5-49.4175.9179.1166.2-166.600111.5P544 D545 K546 A550 Y551 Y552 L582 L585 Y586 K589P544-E548 WeakPolarHBondContact O-CB 3.4Å; P544-E548 PolarHBondContact O-N 2.83Å; D545-E548 PolarHBondContact O-N 3.29Å; K546-E548 VanDerWaalsContact C-N 3.33Å; E548-A550 VanDerWaalsContact C-N 3.35Å; E548-A550 PolarHBondContact O-N 3.43Å; E548-Y551 PolarHBondContact O-N 3.12Å; E548-Y552 HydrophobicContact CG-CD2 3.78Å; E548-Y552 HydrophobicContact CG-CE2 3.65Å; E548-Y552 VanDerWaalsContact O-CD2 3.27Å; E548-Y552 WeakPolarHBondContact O-CD2 3.31Å; E548-Y552 PolarHBondContact O-N 3.49Å; E548-L582 HydrophobicContact CB-CD1 4.35Å; E548-L582 HydrophobicContact CG-CD1 4.06Å; E548-L585 HydrophobicContact CB-CD1 4.34Å; E548-Y586 VanDerWaalsContact OE1-CE1 3.28Å; E548-Y586 WeakPolarHBondContact OE1-CE1 3.48Å; E548-Y586 PolarHBondContact OE1-OH 2.88Å; E548-K589 IonicContact OE2-NZ 3.97Å; E548-K589 PolarHBondContact OE2-NZ 3.42Å
549E95.1Very high92.3Very high145 Ų14558.5 Ų58.568%0.67831%0.309SS*.Hα-helixtrans-56.5-46.3174.8-173-174.1175.500112.1D545 Y551 Y552 G553D545-E549 PolarHBondContact O-N 3.38Å; D545-E549 VanDerWaalsContact O-N 3.13Å; E549-Y551 PolarHBondContact O-N 3.21Å; E549-Y552 PolarHBondContact O-N 3.37Å; E549-G553 PolarHBondContact O-N 3.34Å
550A95Very high91.2Very high15 Ų1563.9 Ų63.912%0.12433%0.327CS..Hα-helixtrans-63.6-39.2178.900000112.6V534 Y538 K546 A547 E548 G553 A554V534-A550 HydrophobicContact CB-CB 4.45Å; V534-A550 HydrophobicContact CG1-CB 3.9Å; Y538-A550 HydrophobicContact CD2-CB 4.24Å; Y538-A550 HydrophobicContact CE2-CB 4.36Å; K546-A550 WeakPolarHBondContact O-CB 3.46Å; K546-A550 PolarHBondContact O-N 3.11Å; A547-A550 PolarHBondContact O-N 3.4Å; E548-A550 VanDerWaalsContact C-N 3.35Å; E548-A550 PolarHBondContact O-N 3.43Å; A550-G553 PolarHBondContact O-N 2.66Å; A550-A554 PolarHBondContact O-N 2.7Å
551Y96.4Very high90Very high4 Ų465.4 Ų65.42%0.01634%0.342CS..Hα-helixtrans-68.3-41.6176-67.2-39.1000112.3G535 R536 V539 A547 E548 E549 G553 A554 L555 V578 N581 L582 L585G535-Y551 VanDerWaalsContact C-CZ 3.45Å; G535-Y551 VanDerWaalsContact C-OH 3.24Å; G535-Y551 PolarHBondContact O-OH 3.03Å; R536-Y551 WeakPolarHBondContact CA-OH 3.32Å; R536-Y551 PolarHBondContact N-OH 3.1Å; V539-Y551 HydrophobicContact CG2-CE2 4.28Å; A547-Y551 HydrophobicContact CB-CE2 4.15Å; A547-Y551 WeakPolarHBondContact O-CD2 3.5Å; A547-Y551 VanDerWaalsContact O-CG 3.27Å; A547-Y551 PolarHBondContact O-N 3.17Å; E548-Y551 PolarHBondContact O-N 3.12Å; E549-Y551 PolarHBondContact O-N 3.21Å; Y551-G553 VanDerWaalsContact C-N 3.33Å; Y551-G553 PolarHBondContact O-N 2.83Å; Y551-A554 WeakPolarHBondContact O-CB 3.48Å; Y551-A554 PolarHBondContact O-N 3.23Å; Y551-A554 VanDerWaalsContact O-N 3.09Å; Y551-L555 WeakPolarHBondContact O-CG 3.48Å; Y551-L555 PolarHBondContact O-N 2.82Å; Y551-V578 HydrophobicContact CD1-CG2 3.89Å; Y551-V578 HydrophobicContact CG-CG2 4.16Å; Y551-N581 HydrophobicContact CE1-CB 3.92Å; Y551-N581 HydrophobicContact CE2-CB 3.96Å; Y551-N581 WeakPolarHBondContact OH-CB 3.37Å; Y551-L582 HydrophobicContact CD2-CB 4.21Å; Y551-L582 HydrophobicContact CD2-CD1 3.99Å; Y551-L585 HydrophobicContact CD2-CD1 4.34Å; Y551-L585 HydrophobicContact CE2-CD1 4.14Å
552Y94.1Very high88.5Confident99 Ų9969.5 Ų69.539%0.38836%0.357SS..Hα-helixtrans-63.3-40.5173-83.2-70.7000111.9E548 E549 A554 L555 E556 L582 Y586E548-Y552 HydrophobicContact CG-CD2 3.78Å; E548-Y552 HydrophobicContact CG-CE2 3.65Å; E548-Y552 VanDerWaalsContact O-CD2 3.27Å; E548-Y552 WeakPolarHBondContact O-CD2 3.31Å; E548-Y552 PolarHBondContact O-N 3.49Å; E549-Y552 PolarHBondContact O-N 3.37Å; Y552-A554 PolarHBondContact O-N 3.4Å; Y552-L555 HydrophobicContact CD1-CD1 3.96Å; Y552-L555 HydrophobicContact CE1-CD1 4.21Å; Y552-L555 WeakPolarHBondContact O-CB 3.18Å; Y552-L555 PolarHBondContact O-N 3.48Å; Y552-E556 PolarHBondContact O-N 3.49Å; Y552-L582 HydrophobicContact CE1-CD2 4.47Å; Y552-L582 HydrophobicContact CE2-CD1 4.45Å; Y552-L582 HydrophobicContact CE2-CD2 4.11Å; Y552-Y586 PolarHBondContact OH-OH 3.39Å
553G90.9Very high87.4Confident15 Ų1577.1 Ų77.116%0.15537%0.373CS..Hα-helixtrans-61-29.217200000113.3R531 E549 A550 Y551 Y557R531-G553 VanDerWaalsContact CD-O 3.32Å; R531-G553 WeakPolarHBondContact CD-O 3.44Å; R531-G553 PolarHBondContact NE-O 3.04Å; R531-G553 PolarHBondContact NH1-O 3.4Å; E549-G553 PolarHBondContact O-N 3.34Å; A550-G553 PolarHBondContact O-N 2.66Å; Y551-G553 VanDerWaalsContact C-N 3.33Å; Y551-G553 PolarHBondContact O-N 2.83Å; G553-Y557 VanDerWaalsContact O-CD2 3.32Å; G553-Y557 WeakPolarHBondContact O-CD2 3.24Å
554A91.7Very high86.1Confident0 Ų077.5 Ų77.50%040%0.396CS..Hα-helixtrans-71.8-41.6170.800000111.7R531 I532 A550 Y551 Y552 E556 Y557 V578R531-A554 HydrophobicContact CB-CB 3.69Å; I532-A554 HydrophobicContact CG1-CB 4.19Å; A550-A554 PolarHBondContact O-N 2.7Å; Y551-A554 WeakPolarHBondContact O-CB 3.48Å; Y551-A554 PolarHBondContact O-N 3.23Å; Y551-A554 VanDerWaalsContact O-N 3.09Å; Y552-A554 PolarHBondContact O-N 3.4Å; A554-E556 PolarHBondContact O-N 3.13Å; A554-Y557 PolarHBondContact O-N 2.82Å; A554-Y557 VanDerWaalsContact O-N 3.15Å; A554-V578 HydrophobicContact CB-CG2 4.09Å
555L90.5Very high84.3Confident16 Ų1680.3 Ų80.38%0.08441%0.405CS..Hα-helixtrans-60.7-29.2-180-72173.8000113.4Y551 Y552 Y557 F558 V578 F579 L582Y551-L555 WeakPolarHBondContact O-CG 3.48Å; Y551-L555 PolarHBondContact O-N 2.82Å; Y552-L555 HydrophobicContact CD1-CD1 3.96Å; Y552-L555 HydrophobicContact CE1-CD1 4.21Å; Y552-L555 WeakPolarHBondContact O-CB 3.18Å; Y552-L555 PolarHBondContact O-N 3.48Å; L555-Y557 PolarHBondContact O-N 3.22Å; L555-F558 HydrophobicContact CD2-CD2 3.96Å; L555-F558 HydrophobicContact CD2-CE2 3.64Å; L555-F558 HydrophobicContact CD2-CZ 4.36Å; L555-F558 PolarHBondContact O-N 3.08Å; L555-V578 HydrophobicContact CD2-CG1 3.53Å; L555-V578 HydrophobicContact CD2-CG2 4.42Å; L555-V578 HydrophobicContact CG-CG1 4.27Å; L555-V578 HydrophobicContact CG-CG2 4.27Å; L555-F579 HydrophobicContact CD1-CE1 4.44Å; L555-F579 HydrophobicContact CD2-CD1 4.16Å; L555-F579 HydrophobicContact CD2-CE1 3.45Å; L555-F579 VanDerWaalsContact CD2-CE1 3.45Å; L555-F579 HydrophobicContact CD2-CE2 3.94Å; L555-F579 HydrophobicContact CD2-CZ 3.32Å; L555-L582 HydrophobicContact CD1-CD2 4.28Å
556E88.4Confident82.5Confident150 Ų15079.6 Ų79.670%0.70140%0.404SS*.THydrogen-bonded Turntrans-60-24.2176.8-71.7179.2-179.900113.9Y552 A554Y552-E556 PolarHBondContact O-N 3.49Å; A554-E556 PolarHBondContact O-N 3.13Å
557Y84.2Confident80.8Confident90 Ų9077.2 Ų77.235%0.35339%0.393SS..THydrogen-bonded Turntrans-99.86.3-175.3-69.4-97.1000113.5P525 N526 R531 G553 A554 L555P525-Y557 VanDerWaalsContact O-CE1 3.29Å; P525-Y557 WeakPolarHBondContact O-CE1 3.43Å; P525-Y557 PolarHBondContact O-OH 3.04Å; N526-Y557 VanDerWaalsContact CA-CD1 3.49Å; N526-Y557 HydrophobicContact CB-CD1 3.57Å; N526-Y557 HydrophobicContact CB-CE1 3.76Å; R531-Y557 VanDerWaalsContact NH2-CZ 3.27Å; R531-Y557 PolarHBondContact NH2-OH 2.99Å; G553-Y557 VanDerWaalsContact O-CD2 3.32Å; G553-Y557 WeakPolarHBondContact O-CD2 3.24Å; A554-Y557 PolarHBondContact O-N 2.82Å; A554-Y557 VanDerWaalsContact O-N 3.15Å; L555-Y557 PolarHBondContact O-N 3.22Å
558F82Confident78.8Confident19 Ų1982.3 Ų82.38%0.08341%0.413CS..SBendtrans-56.4137171.2-93.4-102.5000110.4M528 L555 K560 V571 D575 L576 V578 F579 L607M528-F558 HydrophobicContact SD-CD2 3.75Å; M528-F558 HydrophobicContact SD-CE2 3.9Å; M528-F558 HydrophobicContact SD-CG 4.31Å; L555-F558 HydrophobicContact CD2-CD2 3.96Å; L555-F558 HydrophobicContact CD2-CE2 3.64Å; L555-F558 HydrophobicContact CD2-CZ 4.36Å; L555-F558 PolarHBondContact O-N 3.08Å; F558-K560 PolarHBondContact O-N 3.06Å; F558-V571 HydrophobicContact CD1-CG1 4.28Å; F558-V571 HydrophobicContact CD1-CG2 4.37Å; F558-V571 HydrophobicContact CE1-CG1 3.7Å; F558-D575 HydrophobicContact CZ-CB 4.36Å; F558-L576 HydrophobicContact CE1-CD2 3.95Å; F558-L576 HydrophobicContact CZ-CD2 4.38Å; F558-V578 HydrophobicContact CE2-CG1 3.77Å; F558-V578 HydrophobicContact CZ-CG1 3.89Å; F558-F579 AromaticContact CE1-CE2 3.77Å; F558-F579 HydrophobicContact CE1-CE2 3.77Å; F558-F579 HydrophobicContact CE1-CZ 4.39Å; F558-F579 HydrophobicContact CE2-CE2 4.19Å; F558-F579 HydrophobicContact CZ-CD2 4.32Å; F558-F579 AromaticContact CZ-CE2 3.5Å; F558-F579 HydrophobicContact CZ-CE2 3.5Å; F558-F579 VanDerWaalsContact CZ-CE2 3.5Å; F558-F579 HydrophobicContact CZ-CZ 4.18Å; F558-L607 HydrophobicContact CD1-CD1 4.35Å; F558-L607 HydrophobicContact CE1-CD1 4.16Å
559P72.8Confident76.8Confident37 Ų3785 Ų8524%0.2444%0.441CS..PPolyproline II helixtrans-59.3126-179.522.5-31.6000110Y567 R570 V571P559-Y567 WeakPolarHBondContact O-CE2 3.22Å; P559-Y567 PolarHBondContact O-OH 3.3Å; P559-R570 HydrophobicContact CB-CB 4.46Å; P559-R570 HydrophobicContact CG-CB 4.19Å; P559-V571 HydrophobicContact CG-CG2 3.68Å
560K73.1Confident75.2Confident177 Ų17780.7 Ų80.777%0.7742%0.418SS*.PPolyproline II helixtrans-66.1147.7177-65.4-175.2-179.8-178.70110.9F558 K562 R570F558-K560 PolarHBondContact O-N 3.06Å; K560-K562 PolarHBondContact O-N 2.89Å; K560-R570 PolarHBondContact O-NH1 3.17Å; K560-R570 PolarHBondContact O-NH2 2.99Å
561P69.8Low74Confident113 Ų11380.1 Ų80.173%0.73441%0.413SS*.PPolyproline II helixtrans-52.4127.7174.9-24.333.7000112.1Y567P561-Y567 HydrophobicContact CG-CE2 4.41Å
562K66Low73Confident140 Ų14082.5 Ų82.561%0.60943%0.43SS*.  trans-109.7136.4171.8-75.3-175.9-178.8-178.10108.9K560 G564 Q565 R570K560-K562 PolarHBondContact O-N 2.89Å; K562-G564 PolarHBondContact O-N 2.9Å; K562-Q565 PolarHBondContact O-N 3.11Å; K562-R570 VanDerWaalsContact N-NH2 3.19Å
563K70.2Confident72.4Confident221 Ų22180.1 Ų80.196%0.96143%0.427SS*.THydrogen-bonded Turntrans-63.7127.3180-162.7176.8-177.7-179.50109.9
564G70.1Confident72Confident85 Ų8586 Ų8688%0.87645%0.448SS*.THydrogen-bonded Turntrans88.3-2.6176.100000116.7K562K562-G564 PolarHBondContact O-N 2.9Å
565Q55.5Low71.8Confident116 Ų11687.4 Ų87.454%0.54246%0.456SS..SBendtrans-114.9133.4173.4-70-175.5-18.900110.5K562 Y567K562-Q565 PolarHBondContact O-N 3.11Å; Q565-Y567 PolarHBondContact O-N 3.28Å
566T57.4Low71.8Confident98 Ų9886.6 Ų86.660%0.60145%0.452SS*.  trans-63.4134.6173.954.20000109.5Y568 A569T566-Y568 VanDerWaalsContact C-N 3.26Å; T566-Y568 PolarHBondContact O-N 2.84Å; T566-A569 PolarHBondContact O-N 3.38Å
567Y61.1Low72.1Confident50 Ų5082.1 Ų82.120%0.19643%0.431CS..SBendtrans-62.8-36.9-176.7-167.4-91.6000111.7P559 P561 Q565 A569 R570 V571 L607P559-Y567 WeakPolarHBondContact O-CE2 3.22Å; P559-Y567 PolarHBondContact O-OH 3.3Å; P561-Y567 HydrophobicContact CG-CE2 4.41Å; Q565-Y567 PolarHBondContact O-N 3.28Å; Y567-A569 VanDerWaalsContact C-N 3.32Å; Y567-A569 PolarHBondContact O-N 2.8Å; Y567-R570 PolarHBondContact O-N 3.22Å; Y567-V571 HydrophobicContact CD1-CG2 3.98Å; Y567-V571 HydrophobicContact CE1-CB 4.46Å; Y567-V571 HydrophobicContact CE1-CG2 3.36Å; Y567-L607 HydrophobicContact CD1-CB 4.3Å; Y567-L607 HydrophobicContact CD1-CD2 3.84Å; Y567-L607 HydrophobicContact CE1-CB 3.96Å; Y567-L607 HydrophobicContact CE1-CD2 3.15Å; Y567-L607 HydrophobicContact CE1-CG 4.03Å
568Y53.3Low72.6Confident106 Ų10677.8 Ų77.842%0.41642%0.415SS..G310 helixtrans-49.5-43.3178.2-58.9-57.9000114.7T566 R570 V571 L607 R608T566-Y568 VanDerWaalsContact C-N 3.26Å; T566-Y568 PolarHBondContact O-N 2.84Å; Y568-R570 PolarHBondContact O-N 2.65Å; Y568-R570 VanDerWaalsContact O-N 3.08Å; Y568-V571 PolarHBondContact O-N 3.01Å; Y568-L607 WeakPolarHBondContact CD1-O 3.32Å; Y568-L607 VanDerWaalsContact CE1-O 3.24Å; Y568-L607 WeakPolarHBondContact CE1-O 3.3Å; Y568-R608 HydrophobicContact CD1-CB 4.4Å
569A54.5Low73.3Confident88 Ų8876.9 Ų76.973%0.72741%0.411SS*.G310 helixtrans-67.5-11.3-177.200000113.5T566 Y567T566-A569 PolarHBondContact O-N 3.38Å; Y567-A569 VanDerWaalsContact C-N 3.32Å; Y567-A569 PolarHBondContact O-N 2.8Å
570R61.6Low74.4Confident55 Ų5575.6 Ų75.621%0.20840%0.402CS..G310 helixtrans-107.8-9.8-172.9-62.8-175-69.3144.74.3114.1P559 K560 K562 Y567 Y568P559-R570 HydrophobicContact CB-CB 4.46Å; P559-R570 HydrophobicContact CG-CB 4.19Å; K560-R570 PolarHBondContact O-NH1 3.17Å; K560-R570 PolarHBondContact O-NH2 2.99Å; K562-R570 VanDerWaalsContact N-NH2 3.19Å; Y567-R570 PolarHBondContact O-N 3.22Å; Y568-R570 PolarHBondContact O-N 2.65Å; Y568-R570 VanDerWaalsContact O-N 3.08Å
571V70.3Confident75.6Confident4 Ų469 Ų692%0.02437%0.374CS..  trans-116.4117.3-175.7-177.10000110.5F558 P559 Y567 Y568 L576F558-V571 HydrophobicContact CD1-CG1 4.28Å; F558-V571 HydrophobicContact CD1-CG2 4.37Å; F558-V571 HydrophobicContact CE1-CG1 3.7Å; P559-V571 HydrophobicContact CG-CG2 3.68Å; Y567-V571 HydrophobicContact CD1-CG2 3.98Å; Y567-V571 HydrophobicContact CE1-CB 4.46Å; Y567-V571 HydrophobicContact CE1-CG2 3.36Å; Y568-V571 PolarHBondContact O-N 3.01Å; V571-L576 HydrophobicContact CG1-CD1 4.13Å; V571-L576 HydrophobicContact CG1-CD2 3.62Å; V571-L576 HydrophobicContact CG1-CG 3.62Å
572S76.2Confident76.8Confident53 Ų5363.6 Ų63.637%0.37134%0.339SS..  trans-72.3143.1176.1-1790000110.7K574 D575 L576S572-K574 PolarHBondContact O-N 3.38Å; S572-K574 PolarHBondContact OG-N 3.22Å; S572-D575 WeakPolarHBondContact CB-OD2 3.24Å; S572-D575 PolarHBondContact O-N 3.22Å; S572-L576 PolarHBondContact O-N 3.01Å
573P81.1Confident78.3Confident49 Ų4956.9 Ų56.932%0.31831%0.311SS..Hα-helixtrans-55.1-32.7170.5-23.135.5000112.1D575 L576 M577 F611P573-D575 VanDerWaalsContact C-N 3.3Å; P573-D575 PolarHBondContact O-N 3.13Å; P573-L576 PolarHBondContact O-N 3.01Å; P573-M577 PolarHBondContact O-N 3.39Å; P573-F611 HydrophobicContact CB-CD2 4.24Å; P573-F611 HydrophobicContact CB-CE2 4.19Å
574K83Confident79.6Confident138 Ų13849 Ų4960%0.628%0.279SS*.Hα-helixtrans-61.6-37.7176.7-171.9179.6178.2-178.10112.2S572 M577S572-K574 PolarHBondContact O-N 3.38Å; S572-K574 PolarHBondContact OG-N 3.22Å; K574-M577 WeakPolarHBondContact O-CB 3.32Å; K574-M577 PolarHBondContact O-N 3.14Å
575D85.9Confident80.8Confident30 Ų3045.4 Ų45.416%0.1624%0.24CC..Hα-helixtrans-74.5-33.9178.1-58.9-33.5000110.9M528 F558 S572 P573 M577 V578M528-D575 HydrophobicContact CE-CB 3.99Å; M528-D575 WeakPolarHBondContact CE-OD2 3.48Å; M528-D575 HydrophobicContact SD-CB 4.44Å; F558-D575 HydrophobicContact CZ-CB 4.36Å; S572-D575 WeakPolarHBondContact CB-OD2 3.24Å; S572-D575 PolarHBondContact O-N 3.22Å; P573-D575 VanDerWaalsContact C-N 3.3Å; P573-D575 PolarHBondContact O-N 3.13Å; D575-M577 PolarHBondContact O-N 3.23Å; D575-V578 VanDerWaalsContact O-CG1 3.24Å; D575-V578 WeakPolarHBondContact O-CG1 3.28Å; D575-V578 PolarHBondContact O-N 2.93Å
576L91.4Very high82.8Confident0 Ų040.2 Ų40.20%022%0.215CC..Hα-helixtrans-65.9-18.4176.4-66.4171000113.6F558 V571 S572 P573 V578 F579 L607 R608 F611F558-L576 HydrophobicContact CE1-CD2 3.95Å; F558-L576 HydrophobicContact CZ-CD2 4.38Å; V571-L576 HydrophobicContact CG1-CD1 4.13Å; V571-L576 HydrophobicContact CG1-CD2 3.62Å; V571-L576 HydrophobicContact CG1-CG 3.62Å; S572-L576 PolarHBondContact O-N 3.01Å; P573-L576 PolarHBondContact O-N 3.01Å; L576-V578 PolarHBondContact O-N 3.33Å; L576-F579 HydrophobicContact CD2-CD2 3.95Å; L576-F579 HydrophobicContact CD2-CE2 3.84Å; L576-F579 PolarHBondContact O-N 3.19Å; L576-L607 HydrophobicContact CD2-CB 3.95Å; L576-L607 HydrophobicContact CD2-CD1 3.92Å; L576-R608 HydrophobicContact CD1-CB 3.34Å; L576-R608 HydrophobicContact CD1-CG 4.12Å; L576-F611 HydrophobicContact CB-CD1 3.78Å; L576-F611 HydrophobicContact CB-CE1 3.43Å; L576-F611 VanDerWaalsContact CB-CE1 3.43Å; L576-F611 HydrophobicContact CB-CZ 3.93Å; L576-F611 HydrophobicContact CD1-CB 4.25Å; L576-F611 HydrophobicContact CD1-CD1 3.79Å; L576-F611 HydrophobicContact CD1-CE1 4.32Å; L576-F611 HydrophobicContact CD1-CG 4.01Å; L576-F611 HydrophobicContact CG-CD1 4.39Å; L576-F611 HydrophobicContact CG-CE1 4.48Å
577M93.9Very high84.6Confident55 Ų5536.2 Ų36.227%0.27119%0.19SC..Hα-helixtrans-56.5-23.2174.1-71.3-63.1158.400113.2P573 K574 D575 F579 I580 N581 F611 D613P573-M577 PolarHBondContact O-N 3.39Å; K574-M577 WeakPolarHBondContact O-CB 3.32Å; K574-M577 PolarHBondContact O-N 3.14Å; D575-M577 PolarHBondContact O-N 3.23Å; M577-F579 PolarHBondContact O-N 3.12Å; M577-I580 HydrophobicContact CE-CD1 4.36Å; M577-I580 PolarHBondContact O-N 2.88Å; M577-I580 HydrophobicContact SD-CD1 3.94Å; M577-N581 WeakPolarHBondContact O-CB 3.39Å; M577-N581 VanDerWaalsContact O-CG 3.24Å; M577-N581 PolarHBondContact O-N 3.3Å; M577-N581 PolarHBondContact O-ND2 3.07Å; M577-F611 HydrophobicContact CE-CE2 3.48Å; M577-F611 VanDerWaalsContact CE-CE2 3.48Å; M577-F611 HydrophobicContact CE-CZ 3.45Å; M577-F611 VanDerWaalsContact CE-CZ 3.45Å; M577-F611 HydrophobicContact SD-CZ 4.04Å; M577-D613 HydrophobicContact CE-CB 4.21Å; M577-D613 WeakPolarHBondContact CE-OD2 3.45Å
578V95.4Very high86.2Confident0 Ų039.9 Ų39.90%021%0.213CC..Hα-helixtrans-56-38.517372.70000112.5I532 Y551 A554 L555 F558 D575 L576 N581 L582I532-V578 HydrophobicContact CD1-CB 3.94Å; I532-V578 HydrophobicContact CG1-CB 3.86Å; I532-V578 HydrophobicContact CG1-CG2 4.13Å; Y551-V578 HydrophobicContact CD1-CG2 3.89Å; Y551-V578 HydrophobicContact CG-CG2 4.16Å; A554-V578 HydrophobicContact CB-CG2 4.09Å; L555-V578 HydrophobicContact CD2-CG1 3.53Å; L555-V578 HydrophobicContact CD2-CG2 4.42Å; L555-V578 HydrophobicContact CG-CG1 4.27Å; L555-V578 HydrophobicContact CG-CG2 4.27Å; F558-V578 HydrophobicContact CE2-CG1 3.77Å; F558-V578 HydrophobicContact CZ-CG1 3.89Å; D575-V578 VanDerWaalsContact O-CG1 3.24Å; D575-V578 WeakPolarHBondContact O-CG1 3.28Å; D575-V578 PolarHBondContact O-N 2.93Å; L576-V578 PolarHBondContact O-N 3.33Å; V578-N581 PolarHBondContact O-N 2.93Å; V578-L582 VanDerWaalsContact O-CB 3.3Å; V578-L582 WeakPolarHBondContact O-CB 3.5Å; V578-L582 PolarHBondContact O-N 3.47Å
579F96.7Very high88Confident0 Ų037 Ų370%020%0.202CC..Hα-helixtrans-70.5-41.3-178.8-67.9-75.1000111.3L555 F558 L576 M577 A583 L600 R603 A604 L607L555-F579 HydrophobicContact CD1-CE1 4.44Å; L555-F579 HydrophobicContact CD2-CD1 4.16Å; L555-F579 HydrophobicContact CD2-CE1 3.45Å; L555-F579 VanDerWaalsContact CD2-CE1 3.45Å; L555-F579 HydrophobicContact CD2-CE2 3.94Å; L555-F579 HydrophobicContact CD2-CZ 3.32Å; F558-F579 AromaticContact CE1-CE2 3.77Å; F558-F579 HydrophobicContact CE1-CE2 3.77Å; F558-F579 HydrophobicContact CE1-CZ 4.39Å; F558-F579 HydrophobicContact CE2-CE2 4.19Å; F558-F579 HydrophobicContact CZ-CD2 4.32Å; F558-F579 AromaticContact CZ-CE2 3.5Å; F558-F579 HydrophobicContact CZ-CE2 3.5Å; F558-F579 VanDerWaalsContact CZ-CE2 3.5Å; F558-F579 HydrophobicContact CZ-CZ 4.18Å; L576-F579 HydrophobicContact CD2-CD2 3.95Å; L576-F579 HydrophobicContact CD2-CE2 3.84Å; L576-F579 PolarHBondContact O-N 3.19Å; M577-F579 PolarHBondContact O-N 3.12Å; F579-A583 WeakPolarHBondContact O-CB 3.32Å; F579-A583 PolarHBondContact O-N 3Å; F579-L600 HydrophobicContact CD1-CB 4.47Å; F579-L600 HydrophobicContact CD1-CD2 4.09Å; F579-R603 HydrophobicContact CE1-CB 4.32Å; F579-R603 HydrophobicContact CE1-CG 3.85Å; F579-R603 HydrophobicContact CZ-CG 4.12Å; F579-A604 HydrophobicContact CB-CB 3.73Å; F579-A604 HydrophobicContact CD2-CB 3.88Å; F579-A604 HydrophobicContact CG-CB 3.9Å; F579-L607 HydrophobicContact CD2-CD1 4.44Å; F579-L607 HydrophobicContact CE2-CD1 3.41Å; F579-L607 VanDerWaalsContact CE2-CD1 3.41Å; F579-L607 HydrophobicContact CZ-CD1 3.51Å
580I96.8Very high89.7Confident10 Ų1038.7 Ų38.75%0.05121%0.209CC..Hα-helixtrans-64-46.3176.2-66.3178.2000109.9M577 L582 A583 N584 L601 F611 D613M577-I580 HydrophobicContact CE-CD1 4.36Å; M577-I580 PolarHBondContact O-N 2.88Å; M577-I580 HydrophobicContact SD-CD1 3.94Å; I580-L582 PolarHBondContact O-N 3.41Å; I580-A583 PolarHBondContact O-N 3.46Å; I580-N584 WeakPolarHBondContact O-CB 3.47Å; I580-N584 PolarHBondContact O-N 3.24Å; I580-N584 PolarHBondContact O-ND2 3.11Å; I580-L601 HydrophobicContact CG1-CD2 3.91Å; I580-F611 HydrophobicContact CD1-CE1 3.69Å; I580-F611 HydrophobicContact CD1-CE2 4.45Å; I580-F611 HydrophobicContact CD1-CZ 3.47Å; I580-F611 VanDerWaalsContact CD1-CZ 3.47Å; I580-F611 HydrophobicContact CG1-CE1 4.23Å; I580-F611 HydrophobicContact CG1-CZ 4.4Å; I580-D613 HydrophobicContact CD1-CB 3.58Å
581N96.5Very high91.2Very high37 Ų3741.3 Ų41.320%0.19823%0.233CC..Hα-helixtrans-62.2-44179.2-70.4-19.9000112.2Y551 M577 V578 N584 L585Y551-N581 HydrophobicContact CE1-CB 3.92Å; Y551-N581 HydrophobicContact CE2-CB 3.96Å; Y551-N581 WeakPolarHBondContact OH-CB 3.37Å; M577-N581 WeakPolarHBondContact O-CB 3.39Å; M577-N581 VanDerWaalsContact O-CG 3.24Å; M577-N581 PolarHBondContact O-N 3.3Å; M577-N581 PolarHBondContact O-ND2 3.07Å; V578-N581 PolarHBondContact O-N 2.93Å; N581-N584 PolarHBondContact O-N 2.98Å; N581-L585 PolarHBondContact O-N 3.2Å
582L96.9Very high92.4Very high0 Ų044.8 Ų44.80%026%0.256CS..Hα-helixtrans-67.9-37.7177.1-173.164.4000111.8E548 Y551 Y552 L555 V578 I580 L585 Y586 L600E548-L582 HydrophobicContact CB-CD1 4.35Å; E548-L582 HydrophobicContact CG-CD1 4.06Å; Y551-L582 HydrophobicContact CD2-CB 4.21Å; Y551-L582 HydrophobicContact CD2-CD1 3.99Å; Y552-L582 HydrophobicContact CE1-CD2 4.47Å; Y552-L582 HydrophobicContact CE2-CD1 4.45Å; Y552-L582 HydrophobicContact CE2-CD2 4.11Å; L555-L582 HydrophobicContact CD1-CD2 4.28Å; V578-L582 VanDerWaalsContact O-CB 3.3Å; V578-L582 WeakPolarHBondContact O-CB 3.5Å; V578-L582 PolarHBondContact O-N 3.47Å; I580-L582 PolarHBondContact O-N 3.41Å; L582-L585 WeakPolarHBondContact O-CB 3.37Å; L582-L585 PolarHBondContact O-N 3.35Å; L582-Y586 HydrophobicContact CD1-CE1 4.3Å; L582-Y586 HydrophobicContact CG-CE2 4.4Å; L582-Y586 PolarHBondContact O-N 3.12Å; L582-Y586 VanDerWaalsContact O-N 3.08Å; L582-L600 HydrophobicContact CB-CD1 3.93Å; L582-L600 HydrophobicContact CD2-CD1 3.62Å; L582-L600 HydrophobicContact CD2-CD2 3.76Å; L582-L600 HydrophobicContact CD2-CG 4.35Å; L582-L600 HydrophobicContact CG-CD1 3.51Å
583A97.1Very high93.3Very high0 Ų046.9 Ų46.90%026%0.255CS..Hα-helixtrans-62.9-45.1173.500000111.7F579 I580 L585 Y586 I587 A597 L600 L601F579-A583 WeakPolarHBondContact O-CB 3.32Å; F579-A583 PolarHBondContact O-N 3Å; I580-A583 PolarHBondContact O-N 3.46Å; A583-L585 VanDerWaalsContact C-N 3.27Å; A583-L585 PolarHBondContact O-N 2.9Å; A583-Y586 PolarHBondContact O-N 2.79Å; A583-Y586 VanDerWaalsContact O-N 3.07Å; A583-I587 VanDerWaalsContact O-CG1 3.26Å; A583-I587 WeakPolarHBondContact O-CG1 3.39Å; A583-I587 PolarHBondContact O-N 3.44Å; A583-A597 HydrophobicContact CB-CB 3.97Å; A583-L600 HydrophobicContact CB-CB 4.39Å; A583-L600 HydrophobicContact CB-CD1 4.48Å; A583-L601 HydrophobicContact CB-CD1 3.87Å; A583-L601 HydrophobicContact CB-CD2 3.98Å; A583-L601 HydrophobicContact CB-CG 3.69Å
584N96.7Very high94.1Very high55 Ų5546 Ų4629%0.29425%0.248SC..Hα-helixtrans-60.5-37.4175.2-75.8-23.3000112.3I580 N581 Y586 I587 N588I580-N584 WeakPolarHBondContact O-CB 3.47Å; I580-N584 PolarHBondContact O-N 3.24Å; I580-N584 PolarHBondContact O-ND2 3.11Å; N581-N584 PolarHBondContact O-N 2.98Å; N584-Y586 VanDerWaalsContact C-N 3.34Å; N584-Y586 PolarHBondContact O-N 3.1Å; N584-I587 PolarHBondContact O-N 3.48Å; N584-N588 WeakPolarHBondContact O-CB 3.26Å; N584-N588 PolarHBondContact O-N 3.15Å; N584-N588 VanDerWaalsContact O-N 3.13Å; N584-N588 PolarHBondContact O-ND2 3.46Å
585L95.7Very high94.8Very high10 Ų1043.4 Ų43.45%0.05224%0.238CC..Hα-helixtrans-59.8-45.2172.7-169.1157.3000111.1V539 P544 A547 E548 Y551 N581 L582 A583 N588 K589V539-L585 HydrophobicContact CG2-CD1 4.19Å; P544-L585 HydrophobicContact CB-CD1 4.35Å; P544-L585 HydrophobicContact CB-CD2 4.29Å; P544-L585 HydrophobicContact CB-CG 4.23Å; P544-L585 WeakPolarHBondContact O-CD1 3.22Å; A547-L585 HydrophobicContact CB-CD1 3.68Å; E548-L585 HydrophobicContact CB-CD1 4.34Å; Y551-L585 HydrophobicContact CD2-CD1 4.34Å; Y551-L585 HydrophobicContact CE2-CD1 4.14Å; N581-L585 PolarHBondContact O-N 3.2Å; L582-L585 WeakPolarHBondContact O-CB 3.37Å; L582-L585 PolarHBondContact O-N 3.35Å; A583-L585 VanDerWaalsContact C-N 3.27Å; A583-L585 PolarHBondContact O-N 2.9Å; L585-N588 PolarHBondContact O-N 3.11Å; L585-K589 HydrophobicContact CD2-CD 4.4Å; L585-K589 HydrophobicContact CD2-CG 4.3Å; L585-K589 WeakPolarHBondContact O-CG 3.34Å; L585-K589 PolarHBondContact O-N 3.28Å
586Y96.8Very high95.4Very high6 Ų645 Ų452%0.02425%0.246CC..Hα-helixtrans-69.9-34.8177.8-72.7-9.6000114.4E548 Y552 L582 A583 N584 N588 K589 R593 D596 L600E548-Y586 VanDerWaalsContact OE1-CE1 3.28Å; E548-Y586 WeakPolarHBondContact OE1-CE1 3.48Å; E548-Y586 PolarHBondContact OE1-OH 2.88Å; Y552-Y586 PolarHBondContact OH-OH 3.39Å; L582-Y586 HydrophobicContact CD1-CE1 4.3Å; L582-Y586 HydrophobicContact CG-CE2 4.4Å; L582-Y586 PolarHBondContact O-N 3.12Å; L582-Y586 VanDerWaalsContact O-N 3.08Å; A583-Y586 PolarHBondContact O-N 2.79Å; A583-Y586 VanDerWaalsContact O-N 3.07Å; N584-Y586 VanDerWaalsContact C-N 3.34Å; N584-Y586 PolarHBondContact O-N 3.1Å; Y586-N588 PolarHBondContact O-N 3.17Å; Y586-K589 HydrophobicContact CD1-CD 4.3Å; Y586-K589 PolarHBondContact O-N 3.1Å; Y586-R593 HydrophobicContact CG-CB 4.34Å; Y586-R593 PolarHBondContact O-N 3.36Å; Y586-D596 HydrophobicContact CD2-CB 3.53Å; Y586-D596 HydrophobicContact CE2-CB 3.79Å; Y586-D596 HydrophobicContact CG-CB 4.45Å; Y586-L600 HydrophobicContact CD2-CD1 3.66Å; Y586-L600 HydrophobicContact CE2-CD1 3.62Å
587I96Very high95.7Very high15 Ų1545 Ų458%0.07725%0.246CC..Hα-helixtrans-61.5-35.2172.7-66.8164.3000110.8A583 N584 P592 L594 A597 V621A583-I587 VanDerWaalsContact O-CG1 3.26Å; A583-I587 WeakPolarHBondContact O-CG1 3.39Å; A583-I587 PolarHBondContact O-N 3.44Å; N584-I587 PolarHBondContact O-N 3.48Å; I587-P592 WeakPolarHBondContact O-CB 3.42Å; I587-L594 HydrophobicContact CG1-CD2 4.22Å; I587-L594 HydrophobicContact CG2-CD2 4.45Å; I587-A597 HydrophobicContact CD1-CB 4.42Å; I587-A597 HydrophobicContact CG1-CB 3.87Å; I587-V621 HydrophobicContact CD1-CG2 3.34Å; I587-V621 HydrophobicContact CG1-CG2 3.85Å
588N93.8Very high95.9Very high127 Ų12742.4 Ų42.468%0.67923%0.234SC*.THydrogen-bonded Turntrans-94.83.4-176.1-65.9-25.7000114.2N584 L585 Y586N584-N588 WeakPolarHBondContact O-CB 3.26Å; N584-N588 PolarHBondContact O-N 3.15Å; N584-N588 VanDerWaalsContact O-N 3.13Å; N584-N588 PolarHBondContact O-ND2 3.46Å; L585-N588 PolarHBondContact O-N 3.11Å; Y586-N588 PolarHBondContact O-N 3.17Å
589K91.9Very high96Very high45 Ų4546.9 Ų46.920%0.19626%0.261CS..SBendtrans-70.1159.3170.6-73.8-158.1179.8-164.80110.7D545 E548 L585 Y586 P591 P592D545-K589 IonicContact OD1-NZ 3.48Å; E548-K589 IonicContact OE2-NZ 3.97Å; E548-K589 PolarHBondContact OE2-NZ 3.42Å; L585-K589 HydrophobicContact CD2-CD 4.4Å; L585-K589 HydrophobicContact CD2-CG 4.3Å; L585-K589 WeakPolarHBondContact O-CG 3.34Å; L585-K589 PolarHBondContact O-N 3.28Å; Y586-K589 HydrophobicContact CD1-CD 4.3Å; Y586-K589 PolarHBondContact O-N 3.1Å; K589-P591 VanDerWaalsContact C-C 3.47Å; K589-P591 CarbonylContact C-O 3.59Å; K589-P591 CarbonylContact O-C 3.13Å; K589-P592 VanDerWaalsContact O-CA 3.26Å; K589-P592 WeakPolarHBondContact O-CA 3.45Å; K589-P592 WeakPolarHBondContact O-CD 3.09Å
590S90.6Very high96Very high124 Ų12447.4 Ų47.487%0.86726%0.264SS*.SBendtrans-119.3103.6174.8-66.30000109.6
591P92.7Very high96Very high109 Ų10947 Ų4771%0.70826%0.261SS*.SBendcis-75.6156.51.232-35.6000113.7K589K589-P591 VanDerWaalsContact C-C 3.47Å; K589-P591 CarbonylContact C-O 3.59Å; K589-P591 CarbonylContact O-C 3.13Å
592P95.1Very high96Very high77 Ų7751.2 Ų51.250%0.528%0.275SS..  trans-60.7134.9176.6-27.536.3000112.9I587 K589 L594I587-P592 WeakPolarHBondContact O-CB 3.42Å; K589-P592 VanDerWaalsContact O-CA 3.26Å; K589-P592 WeakPolarHBondContact O-CA 3.45Å; K589-P592 WeakPolarHBondContact O-CD 3.09Å; P592-L594 HydrophobicContact CB-CD2 4.13Å; P592-L594 HydrophobicContact CB-CG 4.08Å; P592-L594 PolarHBondContact O-N 2.87Å
593R96.4Very high95.9Very high98 Ų9856.8 Ų56.837%0.3730%0.296SS..  trans-100.565.2177.8-67.8179.965.1-177.6-3.3110.9Y586 E595 D596 A597Y586-R593 HydrophobicContact CG-CB 4.34Å; Y586-R593 PolarHBondContact O-N 3.36Å; R593-E595 PolarHBondContact O-N 3.47Å; R593-D596 HydrophobicContact CB-CB 4.29Å; R593-D596 IonicContact CZ-OD2 3.36Å; R593-D596 IonicContact NE-OD2 2.65Å; R593-D596 PolarHBondContact NE-OD2 3.16Å; R593-D596 VanDerWaalsContact NH2-CG 3.32Å; R593-D596 IonicContact NH2-OD1 3.15Å; R593-D596 IonicContact NH2-OD2 3.62Å; R593-D596 PolarHBondContact NH2-OD2 2.87Å; R593-D596 PolarHBondContact O-N 2.97Å; R593-A597 PolarHBondContact O-N 3.24Å; R593-A597 VanDerWaalsContact O-N 3.12Å
594L97.8Very high95.7Very high31 Ų3156.8 Ų56.816%0.16230%0.296CS..Hα-helixtrans-65.2-37.3-170.6-62.9178.9000113.7I587 P592 A597 A598 V621 K624 L625I587-L594 HydrophobicContact CG1-CD2 4.22Å; I587-L594 HydrophobicContact CG2-CD2 4.45Å; P592-L594 HydrophobicContact CB-CD2 4.13Å; P592-L594 HydrophobicContact CB-CG 4.08Å; P592-L594 PolarHBondContact O-N 2.87Å; L594-A597 PolarHBondContact O-N 3.44Å; L594-A598 WeakPolarHBondContact O-CB 3.47Å; L594-A598 PolarHBondContact O-N 3.28Å; L594-V621 HydrophobicContact CB-CG1 4.36Å; L594-V621 VanDerWaalsContact O-CG1 3.24Å; L594-V621 WeakPolarHBondContact O-CG1 3.34Å; L594-K624 HydrophobicContact CD1-CB 3.8Å; L594-K624 HydrophobicContact CD2-CB 4.32Å; L594-K624 HydrophobicContact CD2-CD 4.18Å; L594-L625 HydrophobicContact CB-CD1 4.28Å; L594-L625 HydrophobicContact CB-CD2 3.53Å; L594-L625 HydrophobicContact CB-CG 3.84Å; L594-L625 HydrophobicContact CD1-CD2 3.98Å; L594-L625 HydrophobicContact CD1-CG 4.23Å; L594-L625 HydrophobicContact CG-CD2 4.42Å
595E97.8Very high95.6Very high83 Ų8355.2 Ų55.239%0.38829%0.287SS..Hα-helixtrans-65.2-41.5176.8-66-63.516900112.1R593 A597 A598 V599 L625 R627R593-E595 PolarHBondContact O-N 3.47Å; E595-A597 VanDerWaalsContact C-N 3.33Å; E595-A597 PolarHBondContact O-N 3.3Å; E595-A598 WeakPolarHBondContact O-CB 3.4Å; E595-A598 PolarHBondContact O-N 3.01Å; E595-V599 WeakPolarHBondContact O-CG2 3.38Å; E595-V599 PolarHBondContact O-N 3.31Å; E595-L625 HydrophobicContact CG-CD2 4.44Å; E595-R627 VanDerWaalsContact CD-NH2 3.32Å; E595-R627 IonicContact OE1-CZ 3.3Å; E595-R627 IonicContact OE1-NH1 2.69Å; E595-R627 PolarHBondContact OE1-NH1 2.92Å; E595-R627 IonicContact OE1-NH2 2.62Å; E595-R627 PolarHBondContact OE1-NH2 2.7Å; E595-R627 IonicContact OE2-CZ 2.79Å; E595-R627 IonicContact OE2-NH1 2.61Å; E595-R627 PolarHBondContact OE2-NH1 3.09Å; E595-R627 IonicContact OE2-NH2 3.55Å; E595-R627 PolarHBondContact OE2-NH2 2.93Å
596D96.7Very high95.4Very high62 Ų6258.3 Ų58.333%0.33231%0.31SS..Hα-helixtrans-65.4-39.8177.8-63.4-50.9000111.1Y586 R593 A598 V599 L600Y586-D596 HydrophobicContact CD2-CB 3.53Å; Y586-D596 HydrophobicContact CE2-CB 3.79Å; Y586-D596 HydrophobicContact CG-CB 4.45Å; R593-D596 HydrophobicContact CB-CB 4.29Å; R593-D596 IonicContact CZ-OD2 3.36Å; R593-D596 IonicContact NE-OD2 2.65Å; R593-D596 PolarHBondContact NE-OD2 3.16Å; R593-D596 VanDerWaalsContact NH2-CG 3.32Å; R593-D596 IonicContact NH2-OD1 3.15Å; R593-D596 IonicContact NH2-OD2 3.62Å; R593-D596 PolarHBondContact NH2-OD2 2.87Å; R593-D596 PolarHBondContact O-N 2.97Å; D596-A598 VanDerWaalsContact C-N 3.33Å; D596-A598 PolarHBondContact O-N 3.47Å; D596-V599 PolarHBondContact O-N 3.27Å; D596-L600 WeakPolarHBondContact O-CG 3.42Å; D596-L600 PolarHBondContact O-N 2.98Å; D596-L600 VanDerWaalsContact O-N 3.08Å
597A97.7Very high94.9Very high0 Ų059.1 Ų59.10%031%0.314CS..Hα-helixtrans-59.8-43.8172.400000111.6A583 I587 R593 L594 E595 V599 L600 L601 V621A583-A597 HydrophobicContact CB-CB 3.97Å; I587-A597 HydrophobicContact CD1-CB 4.42Å; I587-A597 HydrophobicContact CG1-CB 3.87Å; R593-A597 PolarHBondContact O-N 3.24Å; R593-A597 VanDerWaalsContact O-N 3.12Å; L594-A597 PolarHBondContact O-N 3.44Å; E595-A597 VanDerWaalsContact C-N 3.33Å; E595-A597 PolarHBondContact O-N 3.3Å; A597-V599 PolarHBondContact O-N 2.82Å; A597-L600 PolarHBondContact O-N 2.74Å; A597-L601 WeakPolarHBondContact O-CD1 3.07Å; A597-L601 VanDerWaalsContact O-CG 3.28Å; A597-L601 WeakPolarHBondContact O-CG 3.19Å; A597-L601 PolarHBondContact O-N 3.46Å; A597-L601 VanDerWaalsContact O-N 3.08Å; A597-V621 HydrophobicContact CB-CG1 4.34Å; A597-V621 HydrophobicContact CB-CG2 4.17Å
598A98.1Very high94.5Very high1 Ų161.2 Ų61.21%0.00832%0.321CS..Hα-helixtrans-61.1-41.7176.700000112.2L594 E595 D596 L601 R602 Y618 V621 L625L594-A598 WeakPolarHBondContact O-CB 3.47Å; L594-A598 PolarHBondContact O-N 3.28Å; E595-A598 WeakPolarHBondContact O-CB 3.4Å; E595-A598 PolarHBondContact O-N 3.01Å; D596-A598 VanDerWaalsContact C-N 3.33Å; D596-A598 PolarHBondContact O-N 3.47Å; A598-L601 PolarHBondContact O-N 2.94Å; A598-R602 VanDerWaalsContact O-CB 3.3Å; A598-R602 WeakPolarHBondContact O-CB 3.43Å; A598-R602 PolarHBondContact O-N 2.81Å; A598-Y618 HydrophobicContact CB-CD2 4.38Å; A598-Y618 HydrophobicContact CB-CE2 3.94Å; A598-V621 HydrophobicContact CB-CG1 3.93Å; A598-L625 HydrophobicContact CB-CD1 4.39Å
599V97.5Very high94.3Very high94 Ų9456.8 Ų56.857%0.5730%0.3SS*.Hα-helixtrans-62.5-44176.7170.90000111.5E595 D596 A597 R602 R603E595-V599 WeakPolarHBondContact O-CG2 3.38Å; E595-V599 PolarHBondContact O-N 3.31Å; D596-V599 PolarHBondContact O-N 3.27Å; A597-V599 PolarHBondContact O-N 2.82Å; V599-R602 PolarHBondContact O-N 2.71Å; V599-R603 WeakPolarHBondContact O-CB 3.4Å; V599-R603 PolarHBondContact O-N 2.84Å
600L96.7Very high94.1Very high12 Ų1257.5 Ų57.56%0.06331%0.306CS..Hα-helixtrans-62.8-44.3178.3-71.2169.4000112.3F579 L582 A583 Y586 D596 A597 R603 A604F579-L600 HydrophobicContact CD1-CB 4.47Å; F579-L600 HydrophobicContact CD1-CD2 4.09Å; L582-L600 HydrophobicContact CB-CD1 3.93Å; L582-L600 HydrophobicContact CD2-CD1 3.62Å; L582-L600 HydrophobicContact CD2-CD2 3.76Å; L582-L600 HydrophobicContact CD2-CG 4.35Å; L582-L600 HydrophobicContact CG-CD1 3.51Å; A583-L600 HydrophobicContact CB-CB 4.39Å; A583-L600 HydrophobicContact CB-CD1 4.48Å; Y586-L600 HydrophobicContact CD2-CD1 3.66Å; Y586-L600 HydrophobicContact CE2-CD1 3.62Å; D596-L600 WeakPolarHBondContact O-CG 3.42Å; D596-L600 PolarHBondContact O-N 2.98Å; D596-L600 VanDerWaalsContact O-N 3.08Å; A597-L600 PolarHBondContact O-N 2.74Å; L600-R603 WeakPolarHBondContact O-CB 3.49Å; L600-R603 PolarHBondContact O-N 2.83Å; L600-A604 PolarHBondContact O-N 2.89Å
601L98Very high94.1Very high0 Ų051.9 Ų51.90%027%0.266CS..Hα-helixtrans-68.9-41.2-179.9-67.2164.6000111.6I580 A583 A597 A598 R603 A604 I605 N617 Y618 V621I580-L601 HydrophobicContact CG1-CD2 3.91Å; A583-L601 HydrophobicContact CB-CD1 3.87Å; A583-L601 HydrophobicContact CB-CD2 3.98Å; A583-L601 HydrophobicContact CB-CG 3.69Å; A597-L601 WeakPolarHBondContact O-CD1 3.07Å; A597-L601 VanDerWaalsContact O-CG 3.28Å; A597-L601 WeakPolarHBondContact O-CG 3.19Å; A597-L601 PolarHBondContact O-N 3.46Å; A597-L601 VanDerWaalsContact O-N 3.08Å; A598-L601 PolarHBondContact O-N 2.94Å; L601-R603 VanDerWaalsContact C-N 3.28Å; L601-R603 PolarHBondContact O-N 3.32Å; L601-A604 WeakPolarHBondContact O-CB 3.35Å; L601-A604 PolarHBondContact O-N 3.07Å; L601-A604 VanDerWaalsContact O-N 3.15Å; L601-I605 WeakPolarHBondContact O-CG1 3.23Å; L601-I605 PolarHBondContact O-N 3.47Å; L601-N617 HydrophobicContact CD1-CB 3.92Å; L601-N617 HydrophobicContact CD2-CB 3.63Å; L601-N617 HydrophobicContact CG-CB 4.44Å; L601-Y618 HydrophobicContact CB-CD2 3.93Å; L601-Y618 HydrophobicContact CB-CG 4.33Å; L601-V621 HydrophobicContact CD1-CB 4.47Å; L601-V621 HydrophobicContact CD1-CG2 3.82Å
602R96.8Very high94.2Very high127 Ų12746.9 Ų46.948%0.47923%0.234SC..Hα-helixtrans-60.1-39.5171.6-171.1-176.2-58.9-173.2-0.1111.6A598 V599 I605 S606 Y618 E630A598-R602 VanDerWaalsContact O-CB 3.3Å; A598-R602 WeakPolarHBondContact O-CB 3.43Å; A598-R602 PolarHBondContact O-N 2.81Å; V599-R602 PolarHBondContact O-N 2.71Å; R602-I605 PolarHBondContact O-N 2.88Å; R602-S606 PolarHBondContact O-N 3.37Å; R602-Y618 HydrophobicContact CB-CE2 4.38Å; R602-Y618 PolarHBondContact NE-OH 2.9Å; R602-Y618 PolarHBondContact NH2-OH 3.31Å; R602-E630 IonicContact NH2-OE2 3.81Å
603R94Very high94.2Very high116 Ų11646.3 Ų46.344%0.43823%0.226SC..Hα-helixtrans-61.6-46.7173.6-176.5171.5173.8-168.5-0.5110.7F579 V599 L600 L601 I605 S606 L607F579-R603 HydrophobicContact CE1-CB 4.32Å; F579-R603 HydrophobicContact CE1-CG 3.85Å; F579-R603 HydrophobicContact CZ-CG 4.12Å; V599-R603 WeakPolarHBondContact O-CB 3.4Å; V599-R603 PolarHBondContact O-N 2.84Å; L600-R603 WeakPolarHBondContact O-CB 3.49Å; L600-R603 PolarHBondContact O-N 2.83Å; L601-R603 VanDerWaalsContact C-N 3.28Å; L601-R603 PolarHBondContact O-N 3.32Å; R603-I605 VanDerWaalsContact C-N 3.33Å; R603-I605 PolarHBondContact O-N 3.44Å; R603-S606 PolarHBondContact O-N 2.91Å; R603-S606 VanDerWaalsContact O-N 3.14Å; R603-S606 PolarHBondContact O-OG 3.02Å; R603-L607 HydrophobicContact CG-CD1 4.18Å; R603-L607 HydrophobicContact CG-CG 4.49Å; R603-L607 VanDerWaalsContact O-CG 3.26Å; R603-L607 WeakPolarHBondContact O-CG 3.42Å; R603-L607 PolarHBondContact O-N 2.68Å
604A93.3Very high94.2Very high0 Ų041.6 Ų41.60%021%0.208CC..Hα-helixtrans-56.1-45.9175.500000112.4F579 L600 L601 S606 L607 R608 F611 A614F579-A604 HydrophobicContact CB-CB 3.73Å; F579-A604 HydrophobicContact CD2-CB 3.88Å; F579-A604 HydrophobicContact CG-CB 3.9Å; L600-A604 PolarHBondContact O-N 2.89Å; L601-A604 WeakPolarHBondContact O-CB 3.35Å; L601-A604 PolarHBondContact O-N 3.07Å; L601-A604 VanDerWaalsContact O-N 3.15Å; A604-S606 PolarHBondContact O-N 3.03Å; A604-L607 PolarHBondContact O-N 3.32Å; A604-R608 PolarHBondContact O-N 3.22Å; A604-F611 HydrophobicContact CB-CD1 4.21Å; A604-F611 HydrophobicContact CB-CE1 4.38Å; A604-A614 HydrophobicContact CB-CB 3.91Å
605I93.5Very high94.2Very high23 Ų2340.9 Ų40.912%0.11820%0.204CC..Hα-helixtrans-61.3-41.8176.1-67.2163.9000111.6L601 R602 R603 L607 R608 S609 A614 Y615 Y618L601-I605 WeakPolarHBondContact O-CG1 3.23Å; L601-I605 PolarHBondContact O-N 3.47Å; R602-I605 PolarHBondContact O-N 2.88Å; R603-I605 VanDerWaalsContact C-N 3.33Å; R603-I605 PolarHBondContact O-N 3.44Å; I605-L607 VanDerWaalsContact C-N 3.3Å; I605-L607 PolarHBondContact O-N 2.89Å; I605-R608 CarbonylContact O-C 3.49Å; I605-R608 PolarHBondContact O-N 2.86Å; I605-R608 VanDerWaalsContact O-O 3.07Å; I605-S609 WeakPolarHBondContact O-CA 3.32Å; I605-S609 PolarHBondContact O-N 3.49Å; I605-S609 VanDerWaalsContact O-N 3.17Å; I605-A614 HydrophobicContact CD1-CB 4.48Å; I605-A614 HydrophobicContact CG1-CB 3.8Å; I605-Y615 HydrophobicContact CD1-CD1 3.73Å; I605-Y615 HydrophobicContact CD1-CD2 4.3Å; I605-Y615 HydrophobicContact CD1-CE1 3.91Å; I605-Y615 HydrophobicContact CD1-CE2 4.46Å; I605-Y615 HydrophobicContact CD1-CG 3.96Å; I605-Y615 HydrophobicContact CG1-CD1 4.3Å; I605-Y615 HydrophobicContact CG1-CD2 4.07Å; I605-Y615 HydrophobicContact CG1-CE1 4.22Å; I605-Y615 HydrophobicContact CG1-CE2 3.98Å; I605-Y615 HydrophobicContact CG1-CG 4.25Å; I605-Y615 HydrophobicContact CG2-CE1 3.81Å; I605-Y615 HydrophobicContact CG2-CE2 3.99Å; I605-Y615 VanDerWaalsContact CG2-CZ 3.43Å; I605-Y615 VanDerWaalsContact CG2-OH 3.31Å; I605-Y615 WeakPolarHBondContact CG2-OH 3.5Å; I605-Y618 HydrophobicContact CD1-CD1 4.02Å; I605-Y618 HydrophobicContact CD1-CG 4.17Å
606S91.2Very high94.1Very high75 Ų7538.9 Ų38.952%0.52419%0.194SC..Hα-helixtrans-65.2-34.6178.2750000112.7R602 R603 A604R602-S606 PolarHBondContact O-N 3.37Å; R603-S606 PolarHBondContact O-N 2.91Å; R603-S606 VanDerWaalsContact O-N 3.14Å; R603-S606 PolarHBondContact O-OG 3.02Å; A604-S606 PolarHBondContact O-N 3.03Å
607L87.8Confident94.1Very high22 Ų2237.8 Ų37.812%0.11519%0.189CC..Hα-helixtrans-75.3-30.1177.1-62.2169.8000111.5F558 Y567 Y568 L576 F579 R603 A604 I605F558-L607 HydrophobicContact CD1-CD1 4.35Å; F558-L607 HydrophobicContact CE1-CD1 4.16Å; Y567-L607 HydrophobicContact CD1-CB 4.3Å; Y567-L607 HydrophobicContact CD1-CD2 3.84Å; Y567-L607 HydrophobicContact CE1-CB 3.96Å; Y567-L607 HydrophobicContact CE1-CD2 3.15Å; Y567-L607 HydrophobicContact CE1-CG 4.03Å; Y568-L607 WeakPolarHBondContact CD1-O 3.32Å; Y568-L607 VanDerWaalsContact CE1-O 3.24Å; Y568-L607 WeakPolarHBondContact CE1-O 3.3Å; L576-L607 HydrophobicContact CD2-CB 3.95Å; L576-L607 HydrophobicContact CD2-CD1 3.92Å; F579-L607 HydrophobicContact CD2-CD1 4.44Å; F579-L607 HydrophobicContact CE2-CD1 3.41Å; F579-L607 VanDerWaalsContact CE2-CD1 3.41Å; F579-L607 HydrophobicContact CZ-CD1 3.51Å; R603-L607 HydrophobicContact CG-CD1 4.18Å; R603-L607 HydrophobicContact CG-CG 4.49Å; R603-L607 VanDerWaalsContact O-CG 3.26Å; R603-L607 WeakPolarHBondContact O-CG 3.42Å; R603-L607 PolarHBondContact O-N 2.68Å; A604-L607 PolarHBondContact O-N 3.32Å; I605-L607 VanDerWaalsContact C-N 3.3Å; I605-L607 PolarHBondContact O-N 2.89Å
608R86.5Confident94.2Very high59 Ų5938.8 Ų38.822%0.22319%0.192CC..  trans-149.8104.4176.4-171.8170-176.7149.9-3.4112.6Y568 L576 A604 I605 D610 F611Y568-R608 HydrophobicContact CD1-CB 4.4Å; L576-R608 HydrophobicContact CD1-CB 3.34Å; L576-R608 HydrophobicContact CD1-CG 4.12Å; A604-R608 PolarHBondContact O-N 3.22Å; I605-R608 CarbonylContact O-C 3.49Å; I605-R608 PolarHBondContact O-N 2.86Å; I605-R608 VanDerWaalsContact O-O 3.07Å; R608-D610 VanDerWaalsContact C-N 3.32Å; R608-D610 WeakPolarHBondContact CD-OD1 3.38Å; R608-D610 WeakPolarHBondContact CG-OD1 3.27Å; R608-D610 IonicContact CZ-OD1 2.8Å; R608-D610 IonicContact CZ-OD2 3.87Å; R608-D610 VanDerWaalsContact NE-CG 3.33Å; R608-D610 IonicContact NE-OD1 2.81Å; R608-D610 PolarHBondContact NE-OD1 3.49Å; R608-D610 IonicContact NE-OD2 3.71Å; R608-D610 PolarHBondContact NE-OD2 3.38Å; R608-D610 VanDerWaalsContact NE-OD2 3.17Å; R608-D610 IonicContact NH2-OD1 3.75Å; R608-D610 IonicContact NH2-OD2 3.96Å; R608-D610 PolarHBondContact NH2-OD2 3.04Å; R608-D610 PolarHBondContact O-N 3.49Å; R608-F611 HydrophobicContact CB-CB 4Å; R608-F611 HydrophobicContact CG-CB 3.96Å; R608-F611 VanDerWaalsContact O-CB 3.29Å; R608-F611 WeakPolarHBondContact O-CB 3.38Å; R608-F611 PolarHBondContact O-N 3.11Å
609S90Very high94.1Very high35 Ų3538.7 Ų38.725%0.24519%0.192CC..THydrogen-bonded Turntrans-72.5-23.1-172.764.70000113.6I605 F611 Y615 Y641I605-S609 WeakPolarHBondContact O-CA 3.32Å; I605-S609 PolarHBondContact O-N 3.49Å; I605-S609 VanDerWaalsContact O-N 3.17Å; S609-F611 VanDerWaalsContact C-N 3.34Å; S609-Y615 WeakPolarHBondContact O-CE2 3.2Å; S609-Y615 PolarHBondContact O-OH 3.49Å; S609-Y641 VanDerWaalsContact CB-OH 3.29Å; S609-Y641 WeakPolarHBondContact CB-OH 3.48Å; S609-Y641 WeakPolarHBondContact O-CE2 3.1Å; S609-Y641 PolarHBondContact O-OH 3.42Å; S609-Y641 PolarHBondContact OG-OH 3.27Å; S609-Y641 VanDerWaalsContact OG-OH 3.07Å
610D87.5Confident94.1Very high59 Ų5936.8 Ų36.832%0.31618%0.183SC..THydrogen-bonded Turntrans-89.16.8174.765.9-41.6000113.2R608 V612 Y641R608-D610 VanDerWaalsContact C-N 3.32Å; R608-D610 WeakPolarHBondContact CD-OD1 3.38Å; R608-D610 WeakPolarHBondContact CG-OD1 3.27Å; R608-D610 IonicContact CZ-OD1 2.8Å; R608-D610 IonicContact CZ-OD2 3.87Å; R608-D610 VanDerWaalsContact NE-CG 3.33Å; R608-D610 IonicContact NE-OD1 2.81Å; R608-D610 PolarHBondContact NE-OD1 3.49Å; R608-D610 IonicContact NE-OD2 3.71Å; R608-D610 PolarHBondContact NE-OD2 3.38Å; R608-D610 VanDerWaalsContact NE-OD2 3.17Å; R608-D610 IonicContact NH2-OD1 3.75Å; R608-D610 IonicContact NH2-OD2 3.96Å; R608-D610 PolarHBondContact NH2-OD2 3.04Å; R608-D610 PolarHBondContact O-N 3.49Å; D610-V612 PolarHBondContact O-N 3.11Å; D610-Y641 HydrophobicContact CB-CD1 3.53Å; D610-Y641 HydrophobicContact CB-CE1 3.68Å; D610-Y641 HydrophobicContact CB-CG 4.07Å
611F91.8Very high94.1Very high7 Ų736.2 Ų36.23%0.03118%0.18CC..  trans-79.681.2-179.9-173.8-142.7000112P573 L576 M577 I580 A604 R608 S609 D613 A614 Y615P573-F611 HydrophobicContact CB-CD2 4.24Å; P573-F611 HydrophobicContact CB-CE2 4.19Å; L576-F611 HydrophobicContact CB-CD1 3.78Å; L576-F611 HydrophobicContact CB-CE1 3.43Å; L576-F611 VanDerWaalsContact CB-CE1 3.43Å; L576-F611 HydrophobicContact CB-CZ 3.93Å; L576-F611 HydrophobicContact CD1-CB 4.25Å; L576-F611 HydrophobicContact CD1-CD1 3.79Å; L576-F611 HydrophobicContact CD1-CE1 4.32Å; L576-F611 HydrophobicContact CD1-CG 4.01Å; L576-F611 HydrophobicContact CG-CD1 4.39Å; L576-F611 HydrophobicContact CG-CE1 4.48Å; M577-F611 HydrophobicContact CE-CE2 3.48Å; M577-F611 VanDerWaalsContact CE-CE2 3.48Å; M577-F611 HydrophobicContact CE-CZ 3.45Å; M577-F611 VanDerWaalsContact CE-CZ 3.45Å; M577-F611 HydrophobicContact SD-CZ 4.04Å; I580-F611 HydrophobicContact CD1-CE1 3.69Å; I580-F611 HydrophobicContact CD1-CE2 4.45Å; I580-F611 HydrophobicContact CD1-CZ 3.47Å; I580-F611 VanDerWaalsContact CD1-CZ 3.47Å; I580-F611 HydrophobicContact CG1-CE1 4.23Å; I580-F611 HydrophobicContact CG1-CZ 4.4Å; A604-F611 HydrophobicContact CB-CD1 4.21Å; A604-F611 HydrophobicContact CB-CE1 4.38Å; R608-F611 HydrophobicContact CB-CB 4Å; R608-F611 HydrophobicContact CG-CB 3.96Å; R608-F611 VanDerWaalsContact O-CB 3.29Å; R608-F611 WeakPolarHBondContact O-CB 3.38Å; R608-F611 PolarHBondContact O-N 3.11Å; S609-F611 VanDerWaalsContact C-N 3.34Å; F611-D613 VanDerWaalsContact C-N 3.33Å; F611-D613 HydrophobicContact CD2-CB 4.4Å; F611-D613 HydrophobicContact CE2-CB 3.78Å; F611-D613 WeakPolarHBondContact CE2-OD2 3.4Å; F611-D613 HydrophobicContact CZ-CB 4.03Å; F611-D613 PolarHBondContact O-N 3.29Å; F611-A614 HydrophobicContact CD1-CB 3.43Å; F611-A614 VanDerWaalsContact CD1-CB 3.43Å; F611-A614 HydrophobicContact CE1-CB 3.77Å; F611-A614 HydrophobicContact CG-CB 4.19Å; F611-A614 WeakPolarHBondContact O-CB 3.21Å; F611-A614 PolarHBondContact O-N 2.92Å; F611-A614 VanDerWaalsContact O-N 3.12Å; F611-Y615 WeakPolarHBondContact O-CD2 3.47Å
612V93.6Very high94.1Very high4 Ų436.2 Ų36.22%0.02418%0.18CC..Hα-helixtrans-55.2-40.5-173.7170.90000113.9D610 A614 Y615 Q616 A638 Q642 L648D610-V612 PolarHBondContact O-N 3.11Å; V612-A614 PolarHBondContact O-N 3.3Å; V612-Y615 WeakPolarHBondContact O-CB 3.35Å; V612-Y615 PolarHBondContact O-N 2.97Å; V612-Q616 HydrophobicContact CG1-CG 4.48Å; V612-Q616 PolarHBondContact O-N 2.9Å; V612-A638 HydrophobicContact CG1-CB 4.49Å; V612-Q642 HydrophobicContact CG2-CB 4.29Å; V612-Q642 HydrophobicContact CG2-CG 3.84Å; V612-L648 HydrophobicContact CG1-CD1 3.71Å; V612-L648 HydrophobicContact CG1-CD2 4.07Å; V612-L648 HydrophobicContact CG1-CG 4.16Å
613D94.6Very high94.1Very high64 Ų6432.6 Ų32.634%0.34217%0.169SC..Hα-helixtrans-58.6-34.7-179.5-57.6-39.3000111.8M577 I580 F611 Q616 N617M577-D613 HydrophobicContact CE-CB 4.21Å; M577-D613 WeakPolarHBondContact CE-OD2 3.45Å; I580-D613 HydrophobicContact CD1-CB 3.58Å; F611-D613 VanDerWaalsContact C-N 3.33Å; F611-D613 HydrophobicContact CD2-CB 4.4Å; F611-D613 HydrophobicContact CE2-CB 3.78Å; F611-D613 WeakPolarHBondContact CE2-OD2 3.4Å; F611-D613 HydrophobicContact CZ-CB 4.03Å; F611-D613 PolarHBondContact O-N 3.29Å; D613-Q616 PolarHBondContact O-N 3.38Å; D613-N617 PolarHBondContact O-N 3.05Å; D613-N617 VanDerWaalsContact O-N 3.14Å; D613-N617 PolarHBondContact O-ND2 3.28Å
614A96.3Very high94.1Very high0 Ų032.9 Ų32.90%017%0.174CC..Hα-helixtrans-68-38176.100000112A604 I605 F611 V612 Y618A604-A614 HydrophobicContact CB-CB 3.91Å; I605-A614 HydrophobicContact CD1-CB 4.48Å; I605-A614 HydrophobicContact CG1-CB 3.8Å; F611-A614 HydrophobicContact CD1-CB 3.43Å; F611-A614 VanDerWaalsContact CD1-CB 3.43Å; F611-A614 HydrophobicContact CE1-CB 3.77Å; F611-A614 HydrophobicContact CG-CB 4.19Å; F611-A614 WeakPolarHBondContact O-CB 3.21Å; F611-A614 PolarHBondContact O-N 2.92Å; F611-A614 VanDerWaalsContact O-N 3.12Å; V612-A614 PolarHBondContact O-N 3.3Å; A614-Y618 WeakPolarHBondContact O-CB 3.37Å; A614-Y618 PolarHBondContact O-N 3.25Å
615Y97.8Very high94.2Very high15 Ų1535.1 Ų35.16%0.05919%0.186CC..Hα-helixtrans-65.8-38.8173.8-68.3-90.8000112.1I605 S609 F611 V612 Y618 G619 A634 N637 A638I605-Y615 HydrophobicContact CD1-CD1 3.73Å; I605-Y615 HydrophobicContact CD1-CD2 4.3Å; I605-Y615 HydrophobicContact CD1-CE1 3.91Å; I605-Y615 HydrophobicContact CD1-CE2 4.46Å; I605-Y615 HydrophobicContact CD1-CG 3.96Å; I605-Y615 HydrophobicContact CG1-CD1 4.3Å; I605-Y615 HydrophobicContact CG1-CD2 4.07Å; I605-Y615 HydrophobicContact CG1-CE1 4.22Å; I605-Y615 HydrophobicContact CG1-CE2 3.98Å; I605-Y615 HydrophobicContact CG1-CG 4.25Å; I605-Y615 HydrophobicContact CG2-CE1 3.81Å; I605-Y615 HydrophobicContact CG2-CE2 3.99Å; I605-Y615 VanDerWaalsContact CG2-CZ 3.43Å; I605-Y615 VanDerWaalsContact CG2-OH 3.31Å; I605-Y615 WeakPolarHBondContact CG2-OH 3.5Å; S609-Y615 WeakPolarHBondContact O-CE2 3.2Å; S609-Y615 PolarHBondContact O-OH 3.49Å; F611-Y615 WeakPolarHBondContact O-CD2 3.47Å; V612-Y615 WeakPolarHBondContact O-CB 3.35Å; V612-Y615 PolarHBondContact O-N 2.97Å; Y615-Y618 PolarHBondContact O-N 3.23Å; Y615-G619 PolarHBondContact O-N 3.14Å; Y615-A634 HydrophobicContact CD1-CB 4.24Å; Y615-A634 WeakPolarHBondContact CD1-O 3.4Å; Y615-N637 HydrophobicContact CD1-CB 4.3Å; Y615-N637 HydrophobicContact CE1-CB 3.72Å; Y615-A638 HydrophobicContact CD1-CB 4.48Å; Y615-A638 HydrophobicContact CD2-CB 4.29Å; Y615-A638 HydrophobicContact CG-CB 3.92Å
616Q96.4Very high94.3Very high41 Ų4136.1 Ų36.119%0.19220%0.202CC..Hα-helixtrans-59.9-49177.8-75.3-178-65.200112V612 D613 S620 Y635 L648V612-Q616 HydrophobicContact CG1-CG 4.48Å; V612-Q616 PolarHBondContact O-N 2.9Å; D613-Q616 PolarHBondContact O-N 3.38Å; Q616-S620 PolarHBondContact O-N 3Å; Q616-Y635 PolarHBondContact O-OH 2.88Å; Q616-L648 HydrophobicContact CG-CD2 3.45Å; Q616-L648 VanDerWaalsContact CG-CD2 3.45Å; Q616-L648 HydrophobicContact CG-CG 4.49Å
617N97.6Very high94.5Very high40 Ų4036.4 Ų36.421%0.21419%0.191CC..Hα-helixtrans-66.1-39.3175.8-73.5-85.4000111.1L601 D613 S620 V621L601-N617 HydrophobicContact CD1-CB 3.92Å; L601-N617 HydrophobicContact CD2-CB 3.63Å; L601-N617 HydrophobicContact CG-CB 4.44Å; D613-N617 PolarHBondContact O-N 3.05Å; D613-N617 VanDerWaalsContact O-N 3.14Å; D613-N617 PolarHBondContact O-ND2 3.28Å; N617-S620 PolarHBondContact O-N 3.47Å; N617-V621 WeakPolarHBondContact O-CG2 3.4Å; N617-V621 PolarHBondContact O-N 3.35Å
618Y98.3Very high94.9Very high20 Ų2039.1 Ų39.18%0.07820%0.2CC..Hα-helixtrans-64-47.7-179.1-176.1-124.1000111.7A598 L601 R602 I605 A614 Y615 S620 V621 L622 A634A598-Y618 HydrophobicContact CB-CD2 4.38Å; A598-Y618 HydrophobicContact CB-CE2 3.94Å; L601-Y618 HydrophobicContact CB-CD2 3.93Å; L601-Y618 HydrophobicContact CB-CG 4.33Å; R602-Y618 HydrophobicContact CB-CE2 4.38Å; R602-Y618 PolarHBondContact NE-OH 2.9Å; R602-Y618 PolarHBondContact NH2-OH 3.31Å; I605-Y618 HydrophobicContact CD1-CD1 4.02Å; I605-Y618 HydrophobicContact CD1-CG 4.17Å; A614-Y618 WeakPolarHBondContact O-CB 3.37Å; A614-Y618 PolarHBondContact O-N 3.25Å; Y615-Y618 PolarHBondContact O-N 3.23Å; Y618-S620 VanDerWaalsContact C-N 3.3Å; Y618-S620 PolarHBondContact O-N 2.91Å; Y618-V621 PolarHBondContact O-N 3.18Å; Y618-L622 HydrophobicContact CD1-CD1 3.71Å; Y618-L622 HydrophobicContact CD2-CD1 4.4Å; Y618-L622 HydrophobicContact CD2-CG 4.4Å; Y618-L622 HydrophobicContact CE1-CD1 3.38Å; Y618-L622 HydrophobicContact CE1-CG 4.26Å; Y618-L622 HydrophobicContact CE2-CD1 4.14Å; Y618-L622 HydrophobicContact CE2-CD2 4.26Å; Y618-L622 HydrophobicContact CE2-CG 4.14Å; Y618-L622 HydrophobicContact CG-CD1 4.2Å; Y618-L622 VanDerWaalsContact O-CG 3.31Å; Y618-L622 WeakPolarHBondContact O-CG 3.49Å; Y618-L622 PolarHBondContact O-N 3.27Å; Y618-A634 HydrophobicContact CD1-CB 3.75Å; Y618-A634 HydrophobicContact CE1-CB 4.22Å
619G97.4Very high95.4Very high0 Ų045 Ų450%023%0.227CC..Hα-helixtrans-59.6-40.8175.400000112.2Y615 V621 L622 I623 Y635Y615-G619 PolarHBondContact O-N 3.14Å; G619-V621 PolarHBondContact O-N 3.14Å; G619-L622 PolarHBondContact O-N 3.4Å; G619-I623 VanDerWaalsContact O-CG1 3.28Å; G619-I623 WeakPolarHBondContact O-CG1 3.29Å; G619-I623 PolarHBondContact O-N 2.9Å; G619-Y635 VanDerWaalsContact C-OH 3.25Å; G619-Y635 WeakPolarHBondContact CA-OH 3.33Å
620S96.4Very high95.7Very high54 Ų5446.7 Ų46.738%0.37823%0.231SC..Hα-helixtrans-61.9-42.4176.2-177.90000112.2Q616 N617 Y618 I623 K624 Y635Q616-S620 PolarHBondContact O-N 3Å; N617-S620 PolarHBondContact O-N 3.47Å; Y618-S620 VanDerWaalsContact C-N 3.3Å; Y618-S620 PolarHBondContact O-N 2.91Å; S620-I623 PolarHBondContact O-N 2.88Å; S620-K624 PolarHBondContact O-N 3.2Å; S620-Y635 PolarHBondContact N-OH 2.58Å; S620-Y635 VanDerWaalsContact N-OH 3.09Å
621V97.8Very high96.2Very high0 Ų043.9 Ų43.90%022%0.216CC..Hα-helixtrans-63.9-43.3174172.80000111.5I587 L594 A597 A598 L601 N617 Y618 G619 I623 K624 L625I587-V621 HydrophobicContact CD1-CG2 3.34Å; I587-V621 HydrophobicContact CG1-CG2 3.85Å; L594-V621 HydrophobicContact CB-CG1 4.36Å; L594-V621 VanDerWaalsContact O-CG1 3.24Å; L594-V621 WeakPolarHBondContact O-CG1 3.34Å; A597-V621 HydrophobicContact CB-CG1 4.34Å; A597-V621 HydrophobicContact CB-CG2 4.17Å; A598-V621 HydrophobicContact CB-CG1 3.93Å; L601-V621 HydrophobicContact CD1-CB 4.47Å; L601-V621 HydrophobicContact CD1-CG2 3.82Å; N617-V621 WeakPolarHBondContact O-CG2 3.4Å; N617-V621 PolarHBondContact O-N 3.35Å; Y618-V621 PolarHBondContact O-N 3.18Å; G619-V621 PolarHBondContact O-N 3.14Å; V621-I623 VanDerWaalsContact C-N 3.34Å; V621-I623 PolarHBondContact O-N 2.96Å; V621-K624 PolarHBondContact O-N 3.42Å; V621-L625 HydrophobicContact CG1-CD1 4.03Å; V621-L625 WeakPolarHBondContact O-CG 3.43Å; V621-L625 PolarHBondContact O-N 3.5Å
622L97.9Very high96.4Very high0 Ų044.6 Ų44.60%022%0.22CC..Hα-helixtrans-63.9-38.1179-72.2171.8000112.5Y618 G619 K624 L625 G626 R627 E630 A631Y618-L622 HydrophobicContact CD1-CD1 3.71Å; Y618-L622 HydrophobicContact CD2-CD1 4.4Å; Y618-L622 HydrophobicContact CD2-CG 4.4Å; Y618-L622 HydrophobicContact CE1-CD1 3.38Å; Y618-L622 HydrophobicContact CE1-CG 4.26Å; Y618-L622 HydrophobicContact CE2-CD1 4.14Å; Y618-L622 HydrophobicContact CE2-CD2 4.26Å; Y618-L622 HydrophobicContact CE2-CG 4.14Å; Y618-L622 HydrophobicContact CG-CD1 4.2Å; Y618-L622 VanDerWaalsContact O-CG 3.31Å; Y618-L622 WeakPolarHBondContact O-CG 3.49Å; Y618-L622 PolarHBondContact O-N 3.27Å; G619-L622 PolarHBondContact O-N 3.4Å; L622-K624 VanDerWaalsContact C-N 3.35Å; L622-L625 CarbonylContact O-C 3.37Å; L622-L625 WeakPolarHBondContact O-CB 3.16Å; L622-L625 PolarHBondContact O-N 3.24Å; L622-L625 VanDerWaalsContact O-N 3.14Å; L622-G626 PolarHBondContact O-N 3.19Å; L622-G626 VanDerWaalsContact O-N 3.13Å; L622-R627 HydrophobicContact CB-CB 4.27Å; L622-R627 HydrophobicContact CD2-CB 3.91Å; L622-R627 PolarHBondContact O-N 3.3Å; L622-E630 HydrophobicContact CD1-CB 3.65Å; L622-E630 HydrophobicContact CD2-CB 4.09Å; L622-E630 HydrophobicContact CG-CB 4.43Å; L622-A631 HydrophobicContact CB-CB 3.91Å; L622-A631 HydrophobicContact CD1-CB 4.4Å
623I95.6Very high96.6Very high51 Ų5150.3 Ų50.326%0.26225%0.246SC..Hα-helixtrans-59.9-46.2172.8-67.8163.5000110.2G619 S620 V621 L625 G626 Y628 A631 Y635 V655G619-I623 VanDerWaalsContact O-CG1 3.28Å; G619-I623 WeakPolarHBondContact O-CG1 3.29Å; G619-I623 PolarHBondContact O-N 2.9Å; S620-I623 PolarHBondContact O-N 2.88Å; V621-I623 VanDerWaalsContact C-N 3.34Å; V621-I623 PolarHBondContact O-N 2.96Å; I623-L625 PolarHBondContact O-N 2.94Å; I623-G626 PolarHBondContact O-N 3.17Å; I623-Y628 HydrophobicContact CG2-CE1 4.11Å; I623-A631 HydrophobicContact CG1-CB 4.05Å; I623-Y635 HydrophobicContact CD1-CE2 4.26Å; I623-V655 HydrophobicContact CD1-CG2 3.52Å; I623-V655 HydrophobicContact CG1-CG2 3.85Å
624K94.7Very high96.8Very high122 Ų12247.4 Ų47.453%0.5323%0.232SC..Hα-helixtrans-63-26.2176.3-68.4-176.9178.9-170.50113.2L594 S620 V621 L622 G626L594-K624 HydrophobicContact CD1-CB 3.8Å; L594-K624 HydrophobicContact CD2-CB 4.32Å; L594-K624 HydrophobicContact CD2-CD 4.18Å; S620-K624 PolarHBondContact O-N 3.2Å; V621-K624 PolarHBondContact O-N 3.42Å; L622-K624 VanDerWaalsContact C-N 3.35Å; K624-G626 VanDerWaalsContact C-N 3.34Å
625L95.9Very high96.9Very high47 Ų4747.6 Ų47.625%0.24623%0.232CC..THydrogen-bonded Turntrans-84.1-3.5173.1-71.9169.9000113.6L594 E595 A598 V621 L622 I623 R627L594-L625 HydrophobicContact CB-CD1 4.28Å; L594-L625 HydrophobicContact CB-CD2 3.53Å; L594-L625 HydrophobicContact CB-CG 3.84Å; L594-L625 HydrophobicContact CD1-CD2 3.98Å; L594-L625 HydrophobicContact CD1-CG 4.23Å; L594-L625 HydrophobicContact CG-CD2 4.42Å; E595-L625 HydrophobicContact CG-CD2 4.44Å; A598-L625 HydrophobicContact CB-CD1 4.39Å; V621-L625 HydrophobicContact CG1-CD1 4.03Å; V621-L625 WeakPolarHBondContact O-CG 3.43Å; V621-L625 PolarHBondContact O-N 3.5Å; L622-L625 CarbonylContact O-C 3.37Å; L622-L625 WeakPolarHBondContact O-CB 3.16Å; L622-L625 PolarHBondContact O-N 3.24Å; L622-L625 VanDerWaalsContact O-N 3.14Å; I623-L625 PolarHBondContact O-N 2.94Å; L625-R627 VanDerWaalsContact C-N 3.27Å; L625-R627 HydrophobicContact CB-CG 4.15Å; L625-R627 PolarHBondContact O-N 3.25Å
626G94.6Very high96.9Very high44 Ų4450.4 Ų50.445%0.45424%0.243SC..THydrogen-bonded Turntrans72.913.5-174.400000114.6L622 I623 K624 Y628L622-G626 PolarHBondContact O-N 3.19Å; L622-G626 VanDerWaalsContact O-N 3.13Å; I623-G626 PolarHBondContact O-N 3.17Å; K624-G626 VanDerWaalsContact C-N 3.34Å; G626-Y628 VanDerWaalsContact O-CD2 3.31Å; G626-Y628 WeakPolarHBondContact O-CD2 3.38Å; G626-Y628 PolarHBondContact O-N 3.49Å
627R96.4Very high96.9Very high80 Ų8051.6 Ų51.630%0.30225%0.25SS..  trans-92.458.7-177-66.1176.6176.5167.67.3111.9E595 L622 L625 K629 E630 A631E595-R627 VanDerWaalsContact CD-NH2 3.32Å; E595-R627 IonicContact OE1-CZ 3.3Å; E595-R627 IonicContact OE1-NH1 2.69Å; E595-R627 PolarHBondContact OE1-NH1 2.92Å; E595-R627 IonicContact OE1-NH2 2.62Å; E595-R627 PolarHBondContact OE1-NH2 2.7Å; E595-R627 IonicContact OE2-CZ 2.79Å; E595-R627 IonicContact OE2-NH1 2.61Å; E595-R627 PolarHBondContact OE2-NH1 3.09Å; E595-R627 IonicContact OE2-NH2 3.55Å; E595-R627 PolarHBondContact OE2-NH2 2.93Å; L622-R627 HydrophobicContact CB-CB 4.27Å; L622-R627 HydrophobicContact CD2-CB 3.91Å; L622-R627 PolarHBondContact O-N 3.3Å; L625-R627 VanDerWaalsContact C-N 3.27Å; L625-R627 HydrophobicContact CB-CG 4.15Å; L625-R627 PolarHBondContact O-N 3.25Å; R627-K629 VanDerWaalsContact C-N 3.33Å; R627-K629 PolarHBondContact O-N 3.25Å; R627-E630 HydrophobicContact CB-CB 4.39Å; R627-E630 WeakPolarHBondContact CD-OE1 3.22Å; R627-E630 IonicContact NE-OE1 3.37Å; R627-E630 PolarHBondContact O-N 3.44Å; R627-A631 PolarHBondContact O-N 3.05Å; R627-A631 VanDerWaalsContact O-N 3.08Å
628Y96Very high96.9Very high80 Ų8049.7 Ų49.731%0.31424%0.24SC..Hα-helixtrans-59.3-36.6-173.4-60.7-82.1000114.4I623 G626 A631 E632 V655 E658I623-Y628 HydrophobicContact CG2-CE1 4.11Å; G626-Y628 VanDerWaalsContact O-CD2 3.31Å; G626-Y628 WeakPolarHBondContact O-CD2 3.38Å; G626-Y628 PolarHBondContact O-N 3.49Å; Y628-A631 WeakPolarHBondContact O-CB 3.48Å; Y628-A631 PolarHBondContact O-N 3.18Å; Y628-E632 PolarHBondContact O-N 3.32Å; Y628-V655 WeakPolarHBondContact O-CG1 3.37Å; Y628-E658 HydrophobicContact CD1-CB 4.05Å; Y628-E658 HydrophobicContact CE1-CB 3.78Å; Y628-E658 HydrophobicContact CE1-CG 4.26Å
629K96.1Very high96.8Very high181 Ų18149.5 Ų49.579%0.78724%0.241SC*.Hα-helixtrans-63.1-43.2177.9-68.2-175.7179.6179.80112.4R627 A631 E632 E633R627-K629 VanDerWaalsContact C-N 3.33Å; R627-K629 PolarHBondContact O-N 3.25Å; K629-A631 VanDerWaalsContact C-N 3.32Å; K629-E632 WeakPolarHBondContact O-CB 3.22Å; K629-E632 PolarHBondContact O-N 3.37Å; K629-E633 PolarHBondContact O-N 2.94Å; K629-E633 VanDerWaalsContact O-N 3.13Å
630E96.8Very high96.8Very high71 Ų7153.6 Ų53.633%0.33227%0.269SS..Hα-helixtrans-68.3-35.4175.8-68.5177.9-115.700111R602 L622 R627 E633 A634R602-E630 IonicContact NH2-OE2 3.81Å; L622-E630 HydrophobicContact CD1-CB 3.65Å; L622-E630 HydrophobicContact CD2-CB 4.09Å; L622-E630 HydrophobicContact CG-CB 4.43Å; R627-E630 HydrophobicContact CB-CB 4.39Å; R627-E630 WeakPolarHBondContact CD-OE1 3.22Å; R627-E630 IonicContact NE-OE1 3.37Å; R627-E630 PolarHBondContact O-N 3.44Å; E630-E633 PolarHBondContact O-N 3.46Å; E630-A634 WeakPolarHBondContact O-CB 3.23Å; E630-A634 PolarHBondContact O-N 3.04Å
631A97.6Very high96.6Very high0 Ų055.8 Ų55.80%027%0.27CS..Hα-helixtrans-65-42.1176.200000111L622 I623 R627 Y628 K629 A634 Y635 V655L622-A631 HydrophobicContact CB-CB 3.91Å; L622-A631 HydrophobicContact CD1-CB 4.4Å; I623-A631 HydrophobicContact CG1-CB 4.05Å; R627-A631 PolarHBondContact O-N 3.05Å; R627-A631 VanDerWaalsContact O-N 3.08Å; Y628-A631 WeakPolarHBondContact O-CB 3.48Å; Y628-A631 PolarHBondContact O-N 3.18Å; K629-A631 VanDerWaalsContact C-N 3.32Å; A631-A634 PolarHBondContact O-N 2.9Å; A631-Y635 HydrophobicContact CB-CE2 4.39Å; A631-Y635 WeakPolarHBondContact O-CD2 3.26Å; A631-Y635 PolarHBondContact O-N 2.65Å; A631-V655 HydrophobicContact CB-CG1 4.26Å; A631-V655 HydrophobicContact CB-CG2 4.1Å
632E97.7Very high96.4Very high22 Ų2260.2 Ų60.210%0.10329%0.29CS..Hα-helixtrans-57.1-50174.2-170.2-172.4151.200110.8Y628 K629 A634 Y635 R636 L652 V655 L656 K661Y628-E632 PolarHBondContact O-N 3.32Å; K629-E632 WeakPolarHBondContact O-CB 3.22Å; K629-E632 PolarHBondContact O-N 3.37Å; E632-A634 PolarHBondContact O-N 3.05Å; E632-Y635 PolarHBondContact O-N 3.42Å; E632-R636 WeakPolarHBondContact O-CB 3.32Å; E632-R636 VanDerWaalsContact O-CG 3.32Å; E632-R636 WeakPolarHBondContact O-CG 3.36Å; E632-R636 PolarHBondContact O-N 3.4Å; E632-R636 IonicContact OE1-CZ 2.79Å; E632-R636 VanDerWaalsContact OE1-CZ 3.31Å; E632-R636 IonicContact OE1-NE 2.72Å; E632-R636 PolarHBondContact OE1-NE 2.9Å; E632-R636 IonicContact OE1-NH2 3.2Å; E632-R636 PolarHBondContact OE1-NH2 3.2Å; E632-L652 HydrophobicContact CB-CD1 4.41Å; E632-L652 HydrophobicContact CG-CD1 3.71Å; E632-V655 HydrophobicContact CB-CG1 4.02Å; E632-L656 HydrophobicContact CG-CD2 4.08Å; E632-K661 VanDerWaalsContact CD-NZ 3.34Å; E632-K661 IonicContact OE1-NZ 2.89Å; E632-K661 PolarHBondContact OE1-NZ 3.41Å; E632-K661 VanDerWaalsContact OE1-NZ 3.15Å; E632-K661 IonicContact OE2-NZ 3.54Å; E632-K661 PolarHBondContact OE2-NZ 3.05Å
633E97.3Very high96.3Very high124 Ų12463.9 Ų63.958%0.57931%0.314SS*.Hα-helixtrans-60.7-44.5177.7-172.7-179175.500111.9K629 E630 Y635 R636 N637K629-E633 PolarHBondContact O-N 2.94Å; K629-E633 VanDerWaalsContact O-N 3.13Å; E630-E633 PolarHBondContact O-N 3.46Å; E633-Y635 PolarHBondContact O-N 3.42Å; E633-R636 PolarHBondContact O-N 3.21Å; E633-N637 WeakPolarHBondContact O-CB 3.48Å; E633-N637 VanDerWaalsContact O-CG 3.26Å; E633-N637 PolarHBondContact O-N 3.3Å; E633-N637 PolarHBondContact O-ND2 2.99Å
634A97.4Very high96.2Very high4 Ų468.5 Ų68.53%0.03333%0.332CS..Hα-helixtrans-59-46.2177.600000112.1Y615 Y618 E630 A631 E632 N637 A638Y615-A634 HydrophobicContact CD1-CB 4.24Å; Y615-A634 WeakPolarHBondContact CD1-O 3.4Å; Y618-A634 HydrophobicContact CD1-CB 3.75Å; Y618-A634 HydrophobicContact CE1-CB 4.22Å; E630-A634 WeakPolarHBondContact O-CB 3.23Å; E630-A634 PolarHBondContact O-N 3.04Å; A631-A634 PolarHBondContact O-N 2.9Å; E632-A634 PolarHBondContact O-N 3.05Å; A634-N637 PolarHBondContact O-N 2.77Å; A634-A638 PolarHBondContact O-N 3.19Å
635Y98.2Very high96.2Very high4 Ų463.3 Ų63.32%0.01631%0.311CS..Hα-helixtrans-71.1-35.1178.8-68.8-55.7000113Q616 G619 S620 I623 A631 E632 E633 A638 L639 L648 N651 V655Q616-Y635 PolarHBondContact O-OH 2.88Å; G619-Y635 VanDerWaalsContact C-OH 3.25Å; G619-Y635 WeakPolarHBondContact CA-OH 3.33Å; S620-Y635 PolarHBondContact N-OH 2.58Å; S620-Y635 VanDerWaalsContact N-OH 3.09Å; I623-Y635 HydrophobicContact CD1-CE2 4.26Å; A631-Y635 HydrophobicContact CB-CE2 4.39Å; A631-Y635 WeakPolarHBondContact O-CD2 3.26Å; A631-Y635 PolarHBondContact O-N 2.65Å; E632-Y635 PolarHBondContact O-N 3.42Å; E633-Y635 PolarHBondContact O-N 3.42Å; Y635-A638 PolarHBondContact O-N 3Å; Y635-L639 WeakPolarHBondContact O-CB 3.35Å; Y635-L639 WeakPolarHBondContact O-CG 3.23Å; Y635-L639 PolarHBondContact O-N 3.14Å; Y635-L648 HydrophobicContact CD1-CD2 4.12Å; Y635-N651 HydrophobicContact CD1-CB 3.88Å; Y635-N651 HydrophobicContact CD2-CB 4.27Å; Y635-N651 HydrophobicContact CE1-CB 3.48Å; Y635-N651 VanDerWaalsContact CE1-CB 3.48Å; Y635-N651 HydrophobicContact CE2-CB 3.94Å; Y635-N651 HydrophobicContact CG-CB 4.26Å; Y635-V655 HydrophobicContact CD2-CG2 3.92Å; Y635-V655 HydrophobicContact CE2-CG2 3.7Å
636R97.8Very high96.3Very high74 Ų7462.3 Ų62.328%0.27931%0.308SS..Hα-helixtrans-63.2-42.8172.6-73.4-178.5-172.8-72.91.8111.7E632 E633 L639 S640 L652 E664 Y668E632-R636 WeakPolarHBondContact O-CB 3.32Å; E632-R636 VanDerWaalsContact O-CG 3.32Å; E632-R636 WeakPolarHBondContact O-CG 3.36Å; E632-R636 PolarHBondContact O-N 3.4Å; E632-R636 IonicContact OE1-CZ 2.79Å; E632-R636 VanDerWaalsContact OE1-CZ 3.31Å; E632-R636 IonicContact OE1-NE 2.72Å; E632-R636 PolarHBondContact OE1-NE 2.9Å; E632-R636 IonicContact OE1-NH2 3.2Å; E632-R636 PolarHBondContact OE1-NH2 3.2Å; E633-R636 PolarHBondContact O-N 3.21Å; R636-L639 PolarHBondContact O-N 2.88Å; R636-S640 PolarHBondContact O-N 3.33Å; R636-L652 HydrophobicContact CG-CD1 4.25Å; R636-L652 HydrophobicContact CG-CD2 3.86Å; R636-E664 IonicContact CZ-OE1 2.86Å; R636-E664 IonicContact NH1-OE1 3.77Å; R636-E664 IonicContact NH2-OE1 3.73Å; R636-E664 PolarHBondContact NH2-OE1 3.09Å; R636-E664 IonicContact NH2-OE2 3.31Å; R636-Y668 PolarHBondContact NH1-OH 3.05Å
637N97.2Very high96.4Very high66 Ų6663.9 Ų63.935%0.35331%0.305SS..Hα-helixtrans-61.4-44.7174.1-72.5-20.6000111Y615 E633 A634 L639 S640 Y641Y615-N637 HydrophobicContact CD1-CB 4.3Å; Y615-N637 HydrophobicContact CE1-CB 3.72Å; E633-N637 WeakPolarHBondContact O-CB 3.48Å; E633-N637 VanDerWaalsContact O-CG 3.26Å; E633-N637 PolarHBondContact O-N 3.3Å; E633-N637 PolarHBondContact O-ND2 2.99Å; A634-N637 PolarHBondContact O-N 2.77Å; N637-L639 PolarHBondContact O-N 3.27Å; N637-S640 WeakPolarHBondContact O-CB 3.47Å; N637-S640 PolarHBondContact O-N 3.45Å; N637-S640 VanDerWaalsContact O-N 3.16Å; N637-S640 PolarHBondContact O-OG 3.27Å; N637-Y641 WeakPolarHBondContact O-CD2 3.46Å
638A96.7Very high96.4Very high0 Ų060 Ų600%029%0.291CS..Hα-helixtrans-59.9-42.8175.200000112.8V612 Y615 A634 Y635 S640 Y641 Q642 L648V612-A638 HydrophobicContact CG1-CB 4.49Å; Y615-A638 HydrophobicContact CD1-CB 4.48Å; Y615-A638 HydrophobicContact CD2-CB 4.29Å; Y615-A638 HydrophobicContact CG-CB 3.92Å; A634-A638 PolarHBondContact O-N 3.19Å; Y635-A638 PolarHBondContact O-N 3Å; A638-S640 PolarHBondContact O-N 2.89Å; A638-Y641 PolarHBondContact O-N 3.17Å; A638-Y641 VanDerWaalsContact O-N 3.08Å; A638-Q642 PolarHBondContact O-N 2.98Å; A638-L648 HydrophobicContact CB-CD1 3.75Å; A638-L648 HydrophobicContact CB-CD2 3.64Å; A638-L648 HydrophobicContact CB-CG 4.36Å
639L97.3Very high96.6Very high16 Ų1656.4 Ų56.48%0.08428%0.277CS..Hα-helixtrans-65.7-24.7177-78.9171000113.1Y635 R636 N637 Y641 Q642 P643 L648 N649 L652 Y668Y635-L639 WeakPolarHBondContact O-CB 3.35Å; Y635-L639 WeakPolarHBondContact O-CG 3.23Å; Y635-L639 PolarHBondContact O-N 3.14Å; R636-L639 PolarHBondContact O-N 2.88Å; N637-L639 PolarHBondContact O-N 3.27Å; L639-Y641 PolarHBondContact O-N 2.93Å; L639-Q642 CarbonylContact O-C 3.38Å; L639-Q642 PolarHBondContact O-N 3.06Å; L639-P643 WeakPolarHBondContact O-CA 3.45Å; L639-P643 WeakPolarHBondContact O-CB 3.32Å; L639-P643 WeakPolarHBondContact O-CD 3.18Å; L639-L648 HydrophobicContact CD2-CB 3.52Å; L639-L648 HydrophobicContact CD2-CD1 4.11Å; L639-L648 HydrophobicContact CG-CB 3.89Å; L639-L648 HydrophobicContact CG-CD1 4.32Å; L639-N649 WeakPolarHBondContact CD2-ND2 3.39Å; L639-L652 HydrophobicContact CD1-CB 4.32Å; L639-L652 HydrophobicContact CD1-CD2 3.5Å; L639-Y668 HydrophobicContact CD1-CD1 4.27Å; L639-Y668 HydrophobicContact CD1-CE1 3.92Å
640S97.2Very high96.7Very high85 Ų8550.6 Ų50.659%0.59425%0.251SS*.Hα-helixtrans-63.4-29.6172.379.70000112.3R636 N637 A638R636-S640 PolarHBondContact O-N 3.33Å; N637-S640 WeakPolarHBondContact O-CB 3.47Å; N637-S640 PolarHBondContact O-N 3.45Å; N637-S640 VanDerWaalsContact O-N 3.16Å; N637-S640 PolarHBondContact O-OG 3.27Å; A638-S640 PolarHBondContact O-N 2.89Å
641Y93.3Very high96.7Very high100 Ų10048.9 Ų48.939%0.39224%0.244SC..Hα-helixtrans-89.3-38.6175.8-60.5-75.2000112.7S609 D610 N637 A638 L639S609-Y641 VanDerWaalsContact CB-OH 3.29Å; S609-Y641 WeakPolarHBondContact CB-OH 3.48Å; S609-Y641 WeakPolarHBondContact O-CE2 3.1Å; S609-Y641 PolarHBondContact O-OH 3.42Å; S609-Y641 PolarHBondContact OG-OH 3.27Å; S609-Y641 VanDerWaalsContact OG-OH 3.07Å; D610-Y641 HydrophobicContact CB-CD1 3.53Å; D610-Y641 HydrophobicContact CB-CE1 3.68Å; D610-Y641 HydrophobicContact CB-CG 4.07Å; N637-Y641 WeakPolarHBondContact O-CD2 3.46Å; A638-Y641 PolarHBondContact O-N 3.17Å; A638-Y641 VanDerWaalsContact O-N 3.08Å; L639-Y641 PolarHBondContact O-N 2.93Å
642Q93.2Very high96.7Very high94 Ų9448.9 Ų48.944%0.43924%0.244SC..  trans-128.773.4180-71.6-175.811.200112V612 A638 L639 K644 S645 L648V612-Q642 HydrophobicContact CG2-CB 4.29Å; V612-Q642 HydrophobicContact CG2-CG 3.84Å; A638-Q642 PolarHBondContact O-N 2.98Å; L639-Q642 CarbonylContact O-C 3.38Å; L639-Q642 PolarHBondContact O-N 3.06Å; Q642-K644 PolarHBondContact O-N 2.85Å; Q642-K644 VanDerWaalsContact O-N 3.15Å; Q642-S645 WeakPolarHBondContact O-CB 3.36Å; Q642-S645 PolarHBondContact O-N 2.89Å; Q642-L648 HydrophobicContact CB-CD1 4.03Å
643P94.3Very high96.7Very high76 Ų7647.8 Ų47.849%0.49424%0.239SC..THydrogen-bonded Turntrans-66-21.6-174.124-34.1000113.8L639 N649L639-P643 WeakPolarHBondContact O-CA 3.45Å; L639-P643 WeakPolarHBondContact O-CB 3.32Å; L639-P643 WeakPolarHBondContact O-CD 3.18Å; P643-N649 PolarHBondContact O-ND2 3.26Å
644K93.9Very high96.6Very high149 Ų14943.7 Ų43.765%0.64822%0.222SC*.THydrogen-bonded Turntrans-95.56.7-178.8-59.2-172.3177.8179.90114.4Q642 P646 Y675Q642-K644 PolarHBondContact O-N 2.85Å; Q642-K644 VanDerWaalsContact O-N 3.15Å; K644-P646 VanDerWaalsContact O-CD 3.26Å; K644-P646 WeakPolarHBondContact O-CD 3.42Å; K644-Y675 HydrophobicContact CB-CD1 4.25Å; K644-Y675 HydrophobicContact CB-CD2 4.39Å; K644-Y675 HydrophobicContact CB-CE1 4.12Å; K644-Y675 HydrophobicContact CB-CE2 4.25Å; K644-Y675 HydrophobicContact CB-CG 4.39Å; K644-Y675 HydrophobicContact CD-CE1 4.17Å; K644-Y675 HydrophobicContact CG-CD1 4.37Å; K644-Y675 HydrophobicContact CG-CE1 3.79Å; K644-Y675 HydrophobicContact CG-CE2 4.38Å
645S96Very high96.6Very high13 Ų1343.5 Ų43.59%0.09122%0.22CC..  trans-73.3117.6-179.2170.30000111Q642 D647 L648 N649Q642-S645 WeakPolarHBondContact O-CB 3.36Å; Q642-S645 PolarHBondContact O-N 2.89Å; S645-D647 VanDerWaalsContact C-N 3.33Å; S645-D647 PolarHBondContact O-N 3.29Å; S645-L648 PolarHBondContact O-N 3.49Å; S645-L648 WeakPolarHBondContact OG-CG 3.42Å; S645-L648 PolarHBondContact OG-N 3.04Å; S645-N649 PolarHBondContact O-N 2.87Å; S645-N649 VanDerWaalsContact O-N 3.16Å; S645-N649 PolarHBondContact O-ND2 3.23Å
646P96.8Very high96.6Very high26 Ų2643.3 Ų43.317%0.16922%0.22CC..Hα-helixtrans-61.5-40.4176.1-21.834.1000112.2K644 L648 N649 Y650 A672 N676K644-P646 VanDerWaalsContact O-CD 3.26Å; K644-P646 WeakPolarHBondContact O-CD 3.42Å; P646-L648 PolarHBondContact O-N 3.15Å; P646-N649 PolarHBondContact O-N 2.92Å; P646-Y650 VanDerWaalsContact O-CB 3.28Å; P646-Y650 WeakPolarHBondContact O-CB 3.37Å; P646-Y650 PolarHBondContact O-N 2.82Å; P646-A672 HydrophobicContact CB-CB 4.44Å; P646-A672 WeakPolarHBondContact O-CB 3.37Å; P646-N676 HydrophobicContact CB-CB 3.98Å; P646-N676 HydrophobicContact CG-CB 3.67Å
647D96.7Very high96.4Very high76 Ų7641.5 Ų41.541%0.40622%0.215SC..Hα-helixtrans-64.6-40.7-179.5-59.4-66000112.6S645 Y650 N651 H679S645-D647 VanDerWaalsContact C-N 3.33Å; S645-D647 PolarHBondContact O-N 3.29Å; D647-Y650 WeakPolarHBondContact O-CB 3.48Å; D647-Y650 PolarHBondContact O-N 3.36Å; D647-N651 WeakPolarHBondContact O-CB 3.48Å; D647-N651 PolarHBondContact O-N 3.22Å; D647-N651 PolarHBondContact O-ND2 3.45Å; D647-N651 VanDerWaalsContact O-ND2 3.15Å; D647-H679 IonicContact OD1-NE2 3.2Å; D647-H679 PolarHBondContact OD1-NE2 2.92Å
648L97.7Very high96.1Very high0 Ų043.8 Ų43.80%022%0.224CC..Hα-helixtrans-69.3-43177.3-71.4-179.3000112.3V612 Q616 Y635 A638 L639 Q642 S645 P646 Y650 N651 L652V612-L648 HydrophobicContact CG1-CD1 3.71Å; V612-L648 HydrophobicContact CG1-CD2 4.07Å; V612-L648 HydrophobicContact CG1-CG 4.16Å; Q616-L648 HydrophobicContact CG-CD2 3.45Å; Q616-L648 VanDerWaalsContact CG-CD2 3.45Å; Q616-L648 HydrophobicContact CG-CG 4.49Å; Y635-L648 HydrophobicContact CD1-CD2 4.12Å; A638-L648 HydrophobicContact CB-CD1 3.75Å; A638-L648 HydrophobicContact CB-CD2 3.64Å; A638-L648 HydrophobicContact CB-CG 4.36Å; L639-L648 HydrophobicContact CD2-CB 3.52Å; L639-L648 HydrophobicContact CD2-CD1 4.11Å; L639-L648 HydrophobicContact CG-CB 3.89Å; L639-L648 HydrophobicContact CG-CD1 4.32Å; Q642-L648 HydrophobicContact CB-CD1 4.03Å; S645-L648 PolarHBondContact O-N 3.49Å; S645-L648 WeakPolarHBondContact OG-CG 3.42Å; S645-L648 PolarHBondContact OG-N 3.04Å; P646-L648 PolarHBondContact O-N 3.15Å; L648-Y650 VanDerWaalsContact C-N 3.29Å; L648-Y650 PolarHBondContact O-N 3.09Å; L648-N651 PolarHBondContact O-N 3.04Å; L648-L652 WeakPolarHBondContact O-CB 3.46Å; L648-L652 PolarHBondContact O-N 2.71Å
649N98.2Very high95.9Very high4 Ų445.4 Ų45.42%0.02124%0.235CC..Hα-helixtrans-62.3-40.6175.8-80.5-79.2000110.6L639 P643 S645 P646 G653 Y668 T671 A672L639-N649 WeakPolarHBondContact CD2-ND2 3.39Å; P643-N649 PolarHBondContact O-ND2 3.26Å; S645-N649 PolarHBondContact O-N 2.87Å; S645-N649 VanDerWaalsContact O-N 3.16Å; S645-N649 PolarHBondContact O-ND2 3.23Å; P646-N649 PolarHBondContact O-N 2.92Å; N649-G653 PolarHBondContact O-N 3.39Å; N649-Y668 WeakPolarHBondContact OD1-CD1 3.46Å; N649-T671 WeakPolarHBondContact OD1-CG2 3.5Å; N649-A672 HydrophobicContact CB-CB 3.73Å
650Y98.2Very high95.6Very high58 Ų5853.2 Ų53.223%0.22727%0.271CS..Hα-helixtrans-59.3-54.6172167-108.9000112.6P646 D647 L648 L652 G653 V654 L669 H679 P681 S682 A685P646-Y650 VanDerWaalsContact O-CB 3.28Å; P646-Y650 WeakPolarHBondContact O-CB 3.37Å; P646-Y650 PolarHBondContact O-N 2.82Å; D647-Y650 WeakPolarHBondContact O-CB 3.48Å; D647-Y650 PolarHBondContact O-N 3.36Å; L648-Y650 VanDerWaalsContact C-N 3.29Å; L648-Y650 PolarHBondContact O-N 3.09Å; Y650-L652 VanDerWaalsContact C-N 3.34Å; Y650-L652 PolarHBondContact O-N 3.46Å; Y650-G653 WeakPolarHBondContact O-CA 3.43Å; Y650-G653 PolarHBondContact O-N 2.91Å; Y650-G653 VanDerWaalsContact O-N 3.08Å; Y650-V654 HydrophobicContact CD2-CG2 3.98Å; Y650-V654 HydrophobicContact CE1-CG2 4.4Å; Y650-V654 HydrophobicContact CE2-CG2 3.48Å; Y650-V654 VanDerWaalsContact CE2-CG2 3.48Å; Y650-V654 WeakPolarHBondContact O-CG2 3.42Å; Y650-V654 PolarHBondContact O-N 2.88Å; Y650-L669 HydrophobicContact CD2-CD2 3.7Å; Y650-L669 HydrophobicContact CE2-CD2 4.44Å; Y650-H679 AromaticContact CG-CE1 3.87Å; Y650-P681 HydrophobicContact CD1-CB 4.22Å; Y650-P681 HydrophobicContact CD2-CB 4.06Å; Y650-P681 HydrophobicContact CE1-CB 3.84Å; Y650-P681 VanDerWaalsContact CE2-C 3.44Å; Y650-P681 HydrophobicContact CE2-CB 3.63Å; Y650-P681 VanDerWaalsContact CE2-O 3.24Å; Y650-P681 WeakPolarHBondContact CE2-O 3.44Å; Y650-P681 HydrophobicContact CG-CB 4.33Å; Y650-S682 WeakPolarHBondContact CB-OG 3.43Å; Y650-S682 WeakPolarHBondContact CD2-OG 3.46Å; Y650-A685 HydrophobicContact CE2-CB 4.04Å
651N97.5Very high95.5Very high35 Ų3552.9 Ų52.919%0.18726%0.259CS..Hα-helixtrans-60.3-43.4-176.8-72.2-25.3000111.8Y635 D647 L648 V654 V655Y635-N651 HydrophobicContact CD1-CB 3.88Å; Y635-N651 HydrophobicContact CD2-CB 4.27Å; Y635-N651 HydrophobicContact CE1-CB 3.48Å; Y635-N651 VanDerWaalsContact CE1-CB 3.48Å; Y635-N651 HydrophobicContact CE2-CB 3.94Å; Y635-N651 HydrophobicContact CG-CB 4.26Å; D647-N651 WeakPolarHBondContact O-CB 3.48Å; D647-N651 PolarHBondContact O-N 3.22Å; D647-N651 PolarHBondContact O-ND2 3.45Å; D647-N651 VanDerWaalsContact O-ND2 3.15Å; L648-N651 PolarHBondContact O-N 3.04Å; N651-V654 PolarHBondContact O-N 3.29Å; N651-V655 WeakPolarHBondContact O-CG2 3.49Å; N651-V655 PolarHBondContact O-N 3.43Å; N651-V655 VanDerWaalsContact O-N 3.07Å
652L98Very high95.4Very high0 Ų052.3 Ų52.30%026%0.258CS..Hα-helixtrans-63.8-43.3174-179.356.1000111.4E632 R636 L639 L648 Y650 V654 V655 L656 Y668E632-L652 HydrophobicContact CB-CD1 4.41Å; E632-L652 HydrophobicContact CG-CD1 3.71Å; R636-L652 HydrophobicContact CG-CD1 4.25Å; R636-L652 HydrophobicContact CG-CD2 3.86Å; L639-L652 HydrophobicContact CD1-CB 4.32Å; L639-L652 HydrophobicContact CD1-CD2 3.5Å; L648-L652 WeakPolarHBondContact O-CB 3.46Å; L648-L652 PolarHBondContact O-N 2.71Å; Y650-L652 VanDerWaalsContact C-N 3.34Å; Y650-L652 PolarHBondContact O-N 3.46Å; L652-V654 VanDerWaalsContact C-N 3.33Å; L652-V654 PolarHBondContact O-N 3.17Å; L652-V655 PolarHBondContact O-N 2.93Å; L652-L656 HydrophobicContact CD1-CD1 4.09Å; L652-L656 HydrophobicContact CD1-CG 4.06Å; L652-L656 HydrophobicContact CG-CD1 3.89Å; L652-L656 HydrophobicContact CG-CG 4.35Å; L652-L656 VanDerWaalsContact O-CG 3.26Å; L652-L656 WeakPolarHBondContact O-CG 3.32Å; L652-L656 PolarHBondContact O-N 3.02Å; L652-Y668 HydrophobicContact CD2-CD1 3.85Å; L652-Y668 HydrophobicContact CD2-CD2 4.09Å; L652-Y668 HydrophobicContact CD2-CE1 3.55Å; L652-Y668 HydrophobicContact CD2-CE2 3.78Å; L652-Y668 HydrophobicContact CD2-CG 4.11Å; L652-Y668 VanDerWaalsContact CD2-CZ 3.5Å; L652-Y668 HydrophobicContact CG-CD1 4.42Å; L652-Y668 HydrophobicContact CG-CD2 4.24Å; L652-Y668 HydrophobicContact CG-CE2 4.34Å; L652-Y668 HydrophobicContact CG-CG 4.28Å
653G97.3Very high95.5Very high0 Ų052.7 Ų52.70%027%0.271CS..Hα-helixtrans-54.9-47.8175.900000112.3N649 Y650 L656 L657N649-G653 PolarHBondContact O-N 3.39Å; Y650-G653 WeakPolarHBondContact O-CA 3.43Å; Y650-G653 PolarHBondContact O-N 2.91Å; Y650-G653 VanDerWaalsContact O-N 3.08Å; G653-L656 PolarHBondContact O-N 3.15Å; G653-L657 WeakPolarHBondContact O-CG 3.38Å; G653-L657 PolarHBondContact O-N 3.49Å
654V96.3Very high95.6Very high37 Ų3752 Ų5222%0.22426%0.262CS..Hα-helixtrans-62.2-46.2177173.50000111.6Y650 N651 L652 L656 L657 E658 A685Y650-V654 HydrophobicContact CD2-CG2 3.98Å; Y650-V654 HydrophobicContact CE1-CG2 4.4Å; Y650-V654 HydrophobicContact CE2-CG2 3.48Å; Y650-V654 VanDerWaalsContact CE2-CG2 3.48Å; Y650-V654 WeakPolarHBondContact O-CG2 3.42Å; Y650-V654 PolarHBondContact O-N 2.88Å; N651-V654 PolarHBondContact O-N 3.29Å; L652-V654 VanDerWaalsContact C-N 3.33Å; L652-V654 PolarHBondContact O-N 3.17Å; V654-L656 VanDerWaalsContact C-N 3.27Å; V654-L656 PolarHBondContact O-N 3.39Å; V654-L657 PolarHBondContact O-N 3.18Å; V654-E658 WeakPolarHBondContact O-CG 3.36Å; V654-E658 PolarHBondContact O-N 3.31Å; V654-A685 HydrophobicContact CG2-CB 4.45Å
655V96.6Very high95.7Very high0 Ų045 Ų450%023%0.231CC..Hα-helixtrans-59.2-38.91771710000112.1I623 Y628 A631 E632 Y635 N651 L652 S659I623-V655 HydrophobicContact CD1-CG2 3.52Å; I623-V655 HydrophobicContact CG1-CG2 3.85Å; Y628-V655 WeakPolarHBondContact O-CG1 3.37Å; A631-V655 HydrophobicContact CB-CG1 4.26Å; A631-V655 HydrophobicContact CB-CG2 4.1Å; E632-V655 HydrophobicContact CB-CG1 4.02Å; Y635-V655 HydrophobicContact CD2-CG2 3.92Å; Y635-V655 HydrophobicContact CE2-CG2 3.7Å; N651-V655 WeakPolarHBondContact O-CG2 3.49Å; N651-V655 PolarHBondContact O-N 3.43Å; N651-V655 VanDerWaalsContact O-N 3.07Å; L652-V655 PolarHBondContact O-N 2.93Å; V655-S659 WeakPolarHBondContact O-CB 3.16Å; V655-S659 PolarHBondContact O-N 3.21Å; V655-S659 PolarHBondContact O-OG 2.87Å
656L97.3Very high95.8Very high0 Ų046 Ų460%024%0.235CC..Hα-helixtrans-69.8-38.1178.4-69.8169000112.2E632 L652 G653 V654 S659 H660 K661 E664 Y668E632-L656 HydrophobicContact CG-CD2 4.08Å; L652-L656 HydrophobicContact CD1-CD1 4.09Å; L652-L656 HydrophobicContact CD1-CG 4.06Å; L652-L656 HydrophobicContact CG-CD1 3.89Å; L652-L656 HydrophobicContact CG-CG 4.35Å; L652-L656 VanDerWaalsContact O-CG 3.26Å; L652-L656 WeakPolarHBondContact O-CG 3.32Å; L652-L656 PolarHBondContact O-N 3.02Å; G653-L656 PolarHBondContact O-N 3.15Å; V654-L656 VanDerWaalsContact C-N 3.27Å; V654-L656 PolarHBondContact O-N 3.39Å; L656-S659 CarbonylContact O-C 3.53Å; L656-S659 PolarHBondContact O-N 3.41Å; L656-H660 PolarHBondContact O-N 2.85Å; L656-K661 HydrophobicContact CB-CB 4.27Å; L656-K661 HydrophobicContact CD2-CB 4.26Å; L656-K661 HydrophobicContact CD2-CD 3.54Å; L656-K661 WeakPolarHBondContact O-CA 3.37Å; L656-K661 WeakPolarHBondContact O-CB 3.29Å; L656-K661 PolarHBondContact O-N 2.97Å; L656-E664 HydrophobicContact CD1-CB 4.26Å; L656-E664 HydrophobicContact CD1-CG 3.89Å; L656-Y668 HydrophobicContact CD1-CD2 3.4Å; L656-Y668 VanDerWaalsContact CD1-CD2 3.4Å; L656-Y668 HydrophobicContact CD1-CE2 3.8Å; L656-Y668 HydrophobicContact CD1-CG 4.37Å
657L94.3Very high95.8Very high37 Ų3748 Ų4819%0.19425%0.25CS..Hα-helixtrans-61.4-47.2173.7-69.9176.9000111.2G653 V654 S659 H660 K662 L669 T689G653-L657 WeakPolarHBondContact O-CG 3.38Å; G653-L657 PolarHBondContact O-N 3.49Å; V654-L657 PolarHBondContact O-N 3.18Å; L657-S659 PolarHBondContact O-N 3.16Å; L657-H660 PolarHBondContact O-N 3.03Å; L657-H660 VanDerWaalsContact O-N 3.1Å; L657-K662 HydrophobicContact CD2-CG 4.23Å; L657-L669 HydrophobicContact CD1-CD1 3.75Å; L657-T689 WeakPolarHBondContact CD1-OG1 3.49Å; L657-T689 HydrophobicContact CD2-CG2 3.94Å
658E91.4Very high95.9Very high113 Ų11347 Ų4753%0.52824%0.241SC..Hα-helixtrans-63.5-28.8175.1-66.3-63.1154.400112.4Y628 V654 H660Y628-E658 HydrophobicContact CD1-CB 4.05Å; Y628-E658 HydrophobicContact CE1-CB 3.78Å; Y628-E658 HydrophobicContact CE1-CG 4.26Å; V654-E658 WeakPolarHBondContact O-CG 3.36Å; V654-E658 PolarHBondContact O-N 3.31Å; E658-H660 PolarHBondContact O-N 3.32Å
659S93.1Very high95.9Very high35 Ų3547 Ų4725%0.24524%0.241CC..THydrogen-bonded Turntrans-84.915175.6-56.40000113.8V655 L656 L657 K661V655-S659 WeakPolarHBondContact O-CB 3.16Å; V655-S659 PolarHBondContact O-N 3.21Å; V655-S659 PolarHBondContact O-OG 2.87Å; L656-S659 CarbonylContact O-C 3.53Å; L656-S659 PolarHBondContact O-N 3.41Å; L657-S659 PolarHBondContact O-N 3.16Å; S659-K661 PolarHBondContact O-N 3.17Å
660H90.6Very high95.9Very high179 Ų17950.6 Ų50.683%0.82926%0.26SS*.THydrogen-bonded Turntrans60.418.1-177.6-53.9-59.6000115.7L656 L657 E658 K662L656-H660 PolarHBondContact O-N 2.85Å; L657-H660 PolarHBondContact O-N 3.03Å; L657-H660 VanDerWaalsContact O-N 3.1Å; E658-H660 PolarHBondContact O-N 3.32Å; H660-K662 PolarHBondContact O-N 3.46Å
661K94Very high95.9Very high79 Ų7949.8 Ų49.834%0.34326%0.262SS..  trans-94.862.8175.2-64173.1179.4176.70110.6E632 L656 S659 S663 E664 G665E632-K661 VanDerWaalsContact CD-NZ 3.34Å; E632-K661 IonicContact OE1-NZ 2.89Å; E632-K661 PolarHBondContact OE1-NZ 3.41Å; E632-K661 VanDerWaalsContact OE1-NZ 3.15Å; E632-K661 IonicContact OE2-NZ 3.54Å; E632-K661 PolarHBondContact OE2-NZ 3.05Å; L656-K661 HydrophobicContact CB-CB 4.27Å; L656-K661 HydrophobicContact CD2-CB 4.26Å; L656-K661 HydrophobicContact CD2-CD 3.54Å; L656-K661 WeakPolarHBondContact O-CA 3.37Å; L656-K661 WeakPolarHBondContact O-CB 3.29Å; L656-K661 PolarHBondContact O-N 2.97Å; S659-K661 PolarHBondContact O-N 3.17Å; K661-S663 PolarHBondContact O-N 3.32Å; K661-E664 HydrophobicContact CB-CB 4.41Å; K661-E664 PolarHBondContact O-N 3.18Å; K661-G665 PolarHBondContact O-N 3.2Å
662K92.9Very high95.9Very high87 Ų8748.1 Ų48.138%0.37825%0.253SS..Hα-helixtrans-56.5-47.2-168.6-172170.6179.6156.30114.5L657 H660 G665 L666 T689L657-K662 HydrophobicContact CD2-CG 4.23Å; H660-K662 PolarHBondContact O-N 3.46Å; K662-G665 PolarHBondContact O-N 3.42Å; K662-L666 HydrophobicContact CG-CD1 4.47Å; K662-L666 PolarHBondContact O-N 2.83Å; K662-L666 VanDerWaalsContact O-N 3.07Å; K662-T689 HydrophobicContact CD-CG2 4.26Å; K662-T689 HydrophobicContact CG-CG2 4.04Å; K662-T689 PolarHBondContact NZ-O 3.3Å; K662-T689 VanDerWaalsContact NZ-O 3.08Å
663S94.2Very high95.9Very high102 Ų10249.4 Ų49.471%0.71326%0.259SS*.Hα-helixtrans-64.1-44-178.250.30000112.4K661 S667K661-S663 PolarHBondContact O-N 3.32Å; S663-S667 PolarHBondContact O-N 3.04Å; S663-S667 VanDerWaalsContact O-N 3.11Å
664E96.5Very high95.9Very high63 Ų6354.6 Ų54.629%0.29429%0.291SS..Hα-helixtrans-68.2-43.4178.6-160.6-175.4175.500111.3R636 L656 K661 L666 S667 Y668R636-E664 IonicContact CZ-OE1 2.86Å; R636-E664 IonicContact NH1-OE1 3.77Å; R636-E664 IonicContact NH2-OE1 3.73Å; R636-E664 PolarHBondContact NH2-OE1 3.09Å; R636-E664 IonicContact NH2-OE2 3.31Å; L656-E664 HydrophobicContact CD1-CB 4.26Å; L656-E664 HydrophobicContact CD1-CG 3.89Å; K661-E664 HydrophobicContact CB-CB 4.41Å; K661-E664 PolarHBondContact O-N 3.18Å; E664-L666 PolarHBondContact O-N 3.39Å; E664-S667 VanDerWaalsContact O-CB 3.3Å; E664-S667 WeakPolarHBondContact O-CB 3.24Å; E664-S667 PolarHBondContact O-N 3.47Å; E664-S667 VanDerWaalsContact O-N 3.07Å; E664-Y668 HydrophobicContact CG-CD2 4.19Å; E664-Y668 HydrophobicContact CG-CE2 4.02Å; E664-Y668 WeakPolarHBondContact O-CD2 3.4Å; E664-Y668 PolarHBondContact O-N 3.2Å; E664-Y668 VanDerWaalsContact O-N 3.09Å
665G97Very high95.8Very high0 Ų057.8 Ų57.80%030%0.3CS..Hα-helixtrans-57.4-46.2176.300000112.6K661 K662 S667 Y668 L669K661-G665 PolarHBondContact O-N 3.2Å; K662-G665 PolarHBondContact O-N 3.42Å; G665-S667 VanDerWaalsContact C-N 3.32Å; G665-S667 PolarHBondContact O-N 3.15Å; G665-Y668 PolarHBondContact O-N 3.3Å; G665-L669 WeakPolarHBondContact O-CG 3.49Å; G665-L669 PolarHBondContact O-N 3.47Å
666L96.7Very high95.8Very high34 Ų3460.5 Ų60.518%0.17831%0.314CS..Hα-helixtrans-61.9-36.7174-78.8175.2000113K662 E664 L669 N670 V686 T689K662-L666 HydrophobicContact CG-CD1 4.47Å; K662-L666 PolarHBondContact O-N 2.83Å; K662-L666 VanDerWaalsContact O-N 3.07Å; E664-L666 PolarHBondContact O-N 3.39Å; L666-L669 HydrophobicContact CD2-CD1 4.45Å; L666-L669 PolarHBondContact O-N 3.38Å; L666-N670 WeakPolarHBondContact O-CB 3.36Å; L666-N670 VanDerWaalsContact O-CG 3.29Å; L666-N670 PolarHBondContact O-N 2.86Å; L666-N670 PolarHBondContact O-ND2 2.95Å; L666-N670 VanDerWaalsContact O-ND2 3.14Å; L666-V686 HydrophobicContact CD2-CG2 4.41Å; L666-T689 HydrophobicContact CD1-CG2 3.84Å; L666-T689 HydrophobicContact CD2-CG2 3.6Å; L666-T689 HydrophobicContact CG-CG2 3.74Å
667S97.7Very high95.7Very high69 Ų6964.1 Ų64.148%0.48334%0.338SS..Hα-helixtrans-61.1-45.1176.2-172.10000111.6S663 E664 G665 N670 T671S663-S667 PolarHBondContact O-N 3.04Å; S663-S667 VanDerWaalsContact O-N 3.11Å; E664-S667 VanDerWaalsContact O-CB 3.3Å; E664-S667 WeakPolarHBondContact O-CB 3.24Å; E664-S667 PolarHBondContact O-N 3.47Å; E664-S667 VanDerWaalsContact O-N 3.07Å; G665-S667 VanDerWaalsContact C-N 3.32Å; G665-S667 PolarHBondContact O-N 3.15Å; S667-N670 PolarHBondContact O-N 3.4Å; S667-T671 WeakPolarHBondContact O-CB 3.45Å; S667-T671 PolarHBondContact O-N 3.14Å; S667-T671 PolarHBondContact O-OG1 3.43Å
668Y98Very high95.7Very high54 Ų5468.3 Ų68.321%0.21236%0.356CS..Hα-helixtrans-67.7-39.3176.9-83-73.8000112.5R636 L639 N649 L652 L656 E664 G665 T671 A672R636-Y668 PolarHBondContact NH1-OH 3.05Å; L639-Y668 HydrophobicContact CD1-CD1 4.27Å; L639-Y668 HydrophobicContact CD1-CE1 3.92Å; N649-Y668 WeakPolarHBondContact OD1-CD1 3.46Å; L652-Y668 HydrophobicContact CD2-CD1 3.85Å; L652-Y668 HydrophobicContact CD2-CD2 4.09Å; L652-Y668 HydrophobicContact CD2-CE1 3.55Å; L652-Y668 HydrophobicContact CD2-CE2 3.78Å; L652-Y668 HydrophobicContact CD2-CG 4.11Å; L652-Y668 VanDerWaalsContact CD2-CZ 3.5Å; L652-Y668 HydrophobicContact CG-CD1 4.42Å; L652-Y668 HydrophobicContact CG-CD2 4.24Å; L652-Y668 HydrophobicContact CG-CE2 4.34Å; L652-Y668 HydrophobicContact CG-CG 4.28Å; L656-Y668 HydrophobicContact CD1-CD2 3.4Å; L656-Y668 VanDerWaalsContact CD1-CD2 3.4Å; L656-Y668 HydrophobicContact CD1-CE2 3.8Å; L656-Y668 HydrophobicContact CD1-CG 4.37Å; E664-Y668 HydrophobicContact CG-CD2 4.19Å; E664-Y668 HydrophobicContact CG-CE2 4.02Å; E664-Y668 WeakPolarHBondContact O-CD2 3.4Å; E664-Y668 PolarHBondContact O-N 3.2Å; E664-Y668 VanDerWaalsContact O-N 3.09Å; G665-Y668 PolarHBondContact O-N 3.3Å; Y668-T671 WeakPolarHBondContact O-CB 3.44Å; Y668-T671 PolarHBondContact O-N 2.96Å; Y668-A672 PolarHBondContact O-N 2.83Å
669L98.2Very high96Very high0 Ų063.6 Ų63.60%033%0.334CS..Hα-helixtrans-62.9-43.1173.9-68.5170.9000112.5Y650 L657 G665 L666 T671 A672 L673 A685 V686Y650-L669 HydrophobicContact CD2-CD2 3.7Å; Y650-L669 HydrophobicContact CE2-CD2 4.44Å; L657-L669 HydrophobicContact CD1-CD1 3.75Å; G665-L669 WeakPolarHBondContact O-CG 3.49Å; G665-L669 PolarHBondContact O-N 3.47Å; L666-L669 HydrophobicContact CD2-CD1 4.45Å; L666-L669 PolarHBondContact O-N 3.38Å; L669-T671 VanDerWaalsContact C-N 3.26Å; L669-T671 PolarHBondContact O-N 3.19Å; L669-A672 WeakPolarHBondContact O-CB 3.39Å; L669-A672 PolarHBondContact O-N 3.44Å; L669-A672 VanDerWaalsContact O-N 3.17Å; L669-L673 WeakPolarHBondContact O-CG 3.45Å; L669-L673 PolarHBondContact O-N 2.97Å; L669-A685 HydrophobicContact CD1-CB 3.82Å; L669-A685 HydrophobicContact CD2-CB 3.9Å; L669-V686 HydrophobicContact CB-CG2 3.56Å; L669-V686 HydrophobicContact CD1-CG2 3.98Å; L669-V686 HydrophobicContact CG-CG2 4.34Å
670N97.7Very high96.1Very high81 Ų8165 Ų6543%0.43334%0.337SS..Hα-helixtrans-64.6-32.9174.3-73.5-33.9000112L666 S667 L673 T674L666-N670 WeakPolarHBondContact O-CB 3.36Å; L666-N670 VanDerWaalsContact O-CG 3.29Å; L666-N670 PolarHBondContact O-N 2.86Å; L666-N670 PolarHBondContact O-ND2 2.95Å; L666-N670 VanDerWaalsContact O-ND2 3.14Å; S667-N670 PolarHBondContact O-N 3.4Å; N670-L673 PolarHBondContact O-N 3.07Å; N670-T674 PolarHBondContact O-N 2.97Å; N670-T674 PolarHBondContact O-OG1 2.95Å
671T97.8Very high96.5Very high41 Ų4158.1 Ų58.125%0.25231%0.308SS..Hα-helixtrans-64.7-43.4172.6-57.80000110.8N649 S667 Y668 L669 L673 T674 Y675N649-T671 WeakPolarHBondContact OD1-CG2 3.5Å; S667-T671 WeakPolarHBondContact O-CB 3.45Å; S667-T671 PolarHBondContact O-N 3.14Å; S667-T671 PolarHBondContact O-OG1 3.43Å; Y668-T671 WeakPolarHBondContact O-CB 3.44Å; Y668-T671 PolarHBondContact O-N 2.96Å; L669-T671 VanDerWaalsContact C-N 3.26Å; L669-T671 PolarHBondContact O-N 3.19Å; T671-L673 VanDerWaalsContact C-N 3.31Å; T671-L673 PolarHBondContact O-N 3.43Å; T671-T674 WeakPolarHBondContact O-CB 3.12Å; T671-T674 PolarHBondContact O-N 3.29Å; T671-T674 VanDerWaalsContact O-N 3.17Å; T671-Y675 HydrophobicContact CG2-CD2 4.06Å; T671-Y675 HydrophobicContact CG2-CE2 3.47Å; T671-Y675 VanDerWaalsContact CG2-CE2 3.47Å; T671-Y675 WeakPolarHBondContact O-CD2 3.29Å; T671-Y675 PolarHBondContact O-N 3.44Å
672A98Very high96.6Very high0 Ų054.4 Ų54.40%029%0.292CS..Hα-helixtrans-57.5-44.8172.900000111.6P646 N649 Y668 L669 T674 Y675 N676 S682P646-A672 HydrophobicContact CB-CB 4.44Å; P646-A672 WeakPolarHBondContact O-CB 3.37Å; N649-A672 HydrophobicContact CB-CB 3.73Å; Y668-A672 PolarHBondContact O-N 2.83Å; L669-A672 WeakPolarHBondContact O-CB 3.39Å; L669-A672 PolarHBondContact O-N 3.44Å; L669-A672 VanDerWaalsContact O-N 3.17Å; A672-T674 VanDerWaalsContact C-N 3.32Å; A672-T674 PolarHBondContact O-N 2.96Å; A672-Y675 PolarHBondContact O-N 3.34Å; A672-N676 PolarHBondContact O-N 3.03Å; A672-S682 WeakPolarHBondContact CB-OG 3.23Å
673L97.8Very high96.9Very high27 Ų2751.1 Ų51.114%0.14128%0.279CS..Hα-helixtrans-69.7-25.4177.7-64.9174.5000113.8L669 N670 T671 Y675 N676 P677 H679 L683 V686L669-L673 WeakPolarHBondContact O-CG 3.45Å; L669-L673 PolarHBondContact O-N 2.97Å; N670-L673 PolarHBondContact O-N 3.07Å; T671-L673 VanDerWaalsContact C-N 3.31Å; T671-L673 PolarHBondContact O-N 3.43Å; L673-Y675 VanDerWaalsContact C-N 3.33Å; L673-N676 WeakPolarHBondContact CA-O 3.43Å; L673-N676 CarbonylContact O-C 3.59Å; L673-N676 VanDerWaalsContact O-C 3.31Å; L673-P677 WeakPolarHBondContact O-CA 3.32Å; L673-P677 WeakPolarHBondContact O-CD 3.11Å; L673-P677 WeakPolarHBondContact O-CG 3.45Å; L673-P677 VanDerWaalsContact O-N 3.09Å; L673-H679 HydrophobicContact CD2-CB 4.31Å; L673-L683 HydrophobicContact CD1-CD2 3.99Å; L673-L683 HydrophobicContact CD2-CD2 3.65Å; L673-L683 HydrophobicContact CD2-CG 3.68Å; L673-L683 HydrophobicContact CG-CD2 4.49Å; L673-V686 HydrophobicContact CD1-CG2 3.98Å
674T97.8Very high97.1Very high108 Ų10848.4 Ų48.466%0.66325%0.254SS*.Hα-helixtrans-67.6-37.8172.9-58.60000110.8N670 T671 A672N670-T674 PolarHBondContact O-N 2.97Å; N670-T674 PolarHBondContact O-OG1 2.95Å; T671-T674 WeakPolarHBondContact O-CB 3.12Å; T671-T674 PolarHBondContact O-N 3.29Å; T671-T674 VanDerWaalsContact O-N 3.17Å; A672-T674 VanDerWaalsContact C-N 3.32Å; A672-T674 PolarHBondContact O-N 2.96Å
675Y95.2Very high97.1Very high105 Ų10545.9 Ų45.941%0.41224%0.244SC..Hα-helixtrans-83.6-34177.8-62.2-50.8000113.3K644 T671 A672 L673K644-Y675 HydrophobicContact CB-CD1 4.25Å; K644-Y675 HydrophobicContact CB-CD2 4.39Å; K644-Y675 HydrophobicContact CB-CE1 4.12Å; K644-Y675 HydrophobicContact CB-CE2 4.25Å; K644-Y675 HydrophobicContact CB-CG 4.39Å; K644-Y675 HydrophobicContact CD-CE1 4.17Å; K644-Y675 HydrophobicContact CG-CD1 4.37Å; K644-Y675 HydrophobicContact CG-CE1 3.79Å; K644-Y675 HydrophobicContact CG-CE2 4.38Å; T671-Y675 HydrophobicContact CG2-CD2 4.06Å; T671-Y675 HydrophobicContact CG2-CE2 3.47Å; T671-Y675 VanDerWaalsContact CG2-CE2 3.47Å; T671-Y675 WeakPolarHBondContact O-CD2 3.29Å; T671-Y675 PolarHBondContact O-N 3.44Å; A672-Y675 PolarHBondContact O-N 3.34Å; L673-Y675 VanDerWaalsContact C-N 3.33Å
676N95.8Very high97.1Very high57 Ų5746.3 Ų46.331%0.30525%0.246SC..  trans-139.294.7173.8179.63.6000110.5P646 A672 L673 Q678 H679P646-N676 HydrophobicContact CB-CB 3.98Å; P646-N676 HydrophobicContact CG-CB 3.67Å; A672-N676 PolarHBondContact O-N 3.03Å; L673-N676 WeakPolarHBondContact CA-O 3.43Å; L673-N676 CarbonylContact O-C 3.59Å; L673-N676 VanDerWaalsContact O-C 3.31Å; N676-Q678 PolarHBondContact O-N 3.26Å; N676-Q678 VanDerWaalsContact O-N 3.13Å; N676-Q678 PolarHBondContact OD1-N 3.02Å; N676-Q678 VanDerWaalsContact OD1-N 3.15Å; N676-H679 HydrophobicContact CB-CB 4.01Å; N676-H679 VanDerWaalsContact O-CB 3.24Å; N676-H679 WeakPolarHBondContact O-CB 3.33Å; N676-H679 PolarHBondContact O-N 2.71Å; N676-H679 PolarHBondContact OD1-N 3.22Å
677P96.1Very high97.1Very high75 Ų7544.7 Ų44.749%0.48724%0.238SC..THydrogen-bonded Turntrans-61.8-19.9-178.8-24.934.6000114.9L673L673-P677 WeakPolarHBondContact O-CA 3.32Å; L673-P677 WeakPolarHBondContact O-CD 3.11Å; L673-P677 WeakPolarHBondContact O-CG 3.45Å; L673-P677 VanDerWaalsContact O-N 3.09Å
678Q93.3Very high97Very high125 Ų12542.9 Ų42.958%0.58423%0.225SC*.THydrogen-bonded Turntrans-100.716.6178.1-6874.125.400112.2N676 E680N676-Q678 PolarHBondContact O-N 3.26Å; N676-Q678 VanDerWaalsContact O-N 3.13Å; N676-Q678 PolarHBondContact OD1-N 3.02Å; N676-Q678 VanDerWaalsContact OD1-N 3.15Å; Q678-E680 PolarHBondContact O-N 3.45Å
679H96.8Very high96.8Very high14 Ų1440.8 Ų40.87%0.06522%0.218CC..  trans-70.491.7179.1-169.6-134.9000111.2D647 Y650 L673 N676 S682 L683D647-H679 IonicContact OD1-NE2 3.2Å; D647-H679 PolarHBondContact OD1-NE2 2.92Å; Y650-H679 AromaticContact CG-CE1 3.87Å; L673-H679 HydrophobicContact CD2-CB 4.31Å; N676-H679 HydrophobicContact CB-CB 4.01Å; N676-H679 VanDerWaalsContact O-CB 3.24Å; N676-H679 WeakPolarHBondContact O-CB 3.33Å; N676-H679 PolarHBondContact O-N 2.71Å; N676-H679 PolarHBondContact OD1-N 3.22Å; H679-S682 PolarHBondContact CE1-OG 3.26Å; H679-S682 WeakPolarHBondContact ND1-CB 3.4Å; H679-S682 PolarHBondContact ND1-OG 2.82Å; H679-S682 WeakPolarHBondContact O-CB 3.5Å; H679-S682 PolarHBondContact O-N 3.47Å; H679-L683 PolarHBondContact O-N 2.82Å
680E97.1Very high96.6Very high65 Ų6541.8 Ų41.830%0.30422%0.224SC..Hα-helixtrans-54.5-43.6-170.5-53.3175.8134.800114.1Q678 S682 L683 F684 L709 Q712 F714Q678-E680 PolarHBondContact O-N 3.45Å; E680-S682 VanDerWaalsContact C-N 3.33Å; E680-S682 PolarHBondContact O-N 3.49Å; E680-L683 PolarHBondContact O-N 3Å; E680-F684 WeakPolarHBondContact O-CB 3.32Å; E680-F684 PolarHBondContact O-N 3.36Å; E680-L709 HydrophobicContact CB-CD2 3.84Å; E680-L709 HydrophobicContact CG-CD2 4.18Å; E680-Q712 WeakPolarHBondContact OE1-CB 3.25Å; E680-F714 HydrophobicContact CB-CB 4.39Å; E680-F714 HydrophobicContact CB-CD1 4.25Å; E680-F714 HydrophobicContact CB-CD2 3.42Å; E680-F714 VanDerWaalsContact CB-CD2 3.42Å; E680-F714 HydrophobicContact CB-CE1 4.4Å; E680-F714 HydrophobicContact CB-CE2 3.6Å; E680-F714 HydrophobicContact CB-CG 3.76Å; E680-F714 HydrophobicContact CB-CZ 4.1Å; E680-F714 HydrophobicContact CG-CD2 4.13Å; E680-F714 HydrophobicContact CG-CG 4.4Å; E680-F714 WeakPolarHBondContact OE2-CD2 3.47Å
681P97Very high96.4Very high35 Ų3538.5 Ų38.523%0.22721%0.208CC..Hα-helixtrans-61-39.4176-23.334.9000113Y650 F684 A685 F714Y650-P681 HydrophobicContact CD1-CB 4.22Å; Y650-P681 HydrophobicContact CD2-CB 4.06Å; Y650-P681 HydrophobicContact CE1-CB 3.84Å; Y650-P681 VanDerWaalsContact CE2-C 3.44Å; Y650-P681 HydrophobicContact CE2-CB 3.63Å; Y650-P681 VanDerWaalsContact CE2-O 3.24Å; Y650-P681 WeakPolarHBondContact CE2-O 3.44Å; Y650-P681 HydrophobicContact CG-CB 4.33Å; P681-F684 PolarHBondContact O-N 2.97Å; P681-A685 WeakPolarHBondContact O-CB 3.4Å; P681-A685 PolarHBondContact O-N 3.29Å; P681-F714 HydrophobicContact CG-CE2 4.4Å; P681-F714 HydrophobicContact CG-CZ 4.37Å
682S97.8Very high96.1Very high0 Ų043.6 Ų43.60%023%0.23CC..Hα-helixtrans-69.4-41.8176-69.10000112.5Y650 A672 H679 E680 F684 A685 V686Y650-S682 WeakPolarHBondContact CB-OG 3.43Å; Y650-S682 WeakPolarHBondContact CD2-OG 3.46Å; A672-S682 WeakPolarHBondContact CB-OG 3.23Å; H679-S682 PolarHBondContact CE1-OG 3.26Å; H679-S682 WeakPolarHBondContact ND1-CB 3.4Å; H679-S682 PolarHBondContact ND1-OG 2.82Å; H679-S682 WeakPolarHBondContact O-CB 3.5Å; H679-S682 PolarHBondContact O-N 3.47Å; E680-S682 VanDerWaalsContact C-N 3.33Å; E680-S682 PolarHBondContact O-N 3.49Å; S682-F684 VanDerWaalsContact C-N 3.3Å; S682-F684 PolarHBondContact O-N 2.85Å; S682-A685 PolarHBondContact O-N 2.89Å; S682-V686 WeakPolarHBondContact O-CB 3.41Å; S682-V686 VanDerWaalsContact O-CG2 3.3Å; S682-V686 WeakPolarHBondContact O-CG2 3.4Å; S682-V686 PolarHBondContact O-N 2.96Å
683L98Very high95.7Very high19 Ų1945 Ų4510%0.09924%0.239CC..Hα-helixtrans-57.8-45.3174.1-74.8175.5000110.9L673 H679 E680 V686 A687 I705 L709L673-L683 HydrophobicContact CD1-CD2 3.99Å; L673-L683 HydrophobicContact CD2-CD2 3.65Å; L673-L683 HydrophobicContact CD2-CG 3.68Å; L673-L683 HydrophobicContact CG-CD2 4.49Å; H679-L683 PolarHBondContact O-N 2.82Å; E680-L683 PolarHBondContact O-N 3Å; L683-V686 PolarHBondContact O-N 3.42Å; L683-A687 VanDerWaalsContact O-CB 3.28Å; L683-A687 WeakPolarHBondContact O-CB 3.41Å; L683-A687 PolarHBondContact O-N 3.36Å; L683-I705 HydrophobicContact CB-CG2 3.79Å; L683-I705 HydrophobicContact CD2-CG2 4.1Å; L683-I705 HydrophobicContact CG-CG2 4.46Å; L683-I705 WeakPolarHBondContact O-CG2 3.48Å; L683-L709 HydrophobicContact CB-CD1 4.28Å; L683-L709 HydrophobicContact CB-CD2 4.05Å; L683-L709 HydrophobicContact CB-CG 4.41Å; L683-L709 HydrophobicContact CD1-CD2 4.21Å
684F97.9Very high95.2Very high44 Ų4448.2 Ų48.219%0.19327%0.27CS..Hα-helixtrans-61.9-48.2177.1-176.6-91.5000111.8E680 P681 S682 V686 A687 S688 Y706 L709 F714 K718 V719E680-F684 WeakPolarHBondContact O-CB 3.32Å; E680-F684 PolarHBondContact O-N 3.36Å; P681-F684 PolarHBondContact O-N 2.97Å; S682-F684 VanDerWaalsContact C-N 3.3Å; S682-F684 PolarHBondContact O-N 2.85Å; F684-V686 PolarHBondContact O-N 3.08Å; F684-A687 PolarHBondContact O-N 3.44Å; F684-S688 WeakPolarHBondContact O-CB 3.37Å; F684-S688 PolarHBondContact O-N 2.86Å; F684-S688 PolarHBondContact O-OG 3.23Å; F684-Y706 HydrophobicContact CD2-CD1 4.29Å; F684-Y706 AromaticContact CD2-CE1 3.74Å; F684-Y706 HydrophobicContact CD2-CE1 3.74Å; F684-Y706 HydrophobicContact CE2-CD1 4.49Å; F684-Y706 AromaticContact CE2-CE1 3.78Å; F684-Y706 HydrophobicContact CE2-CE1 3.78Å; F684-L709 HydrophobicContact CB-CD1 3.9Å; F684-L709 HydrophobicContact CD2-CD1 4.21Å; F684-F714 HydrophobicContact CB-CE1 3.77Å; F684-F714 HydrophobicContact CD2-CE1 4.19Å; F684-F714 HydrophobicContact CG-CE1 4.1Å; F684-K718 HydrophobicContact CE2-CB 3.99Å; F684-K718 HydrophobicContact CZ-CB 3.93Å; F684-V719 HydrophobicContact CD2-CG2 3.92Å; F684-V719 HydrophobicContact CE2-CG2 3.95Å
685A96.9Very high94.9Very high11 Ų1146.2 Ų46.29%0.09126%0.255CS..Hα-helixtrans-62.5-41.117900000112.6Y650 V654 L669 P681 S682 T689Y650-A685 HydrophobicContact CE2-CB 4.04Å; V654-A685 HydrophobicContact CG2-CB 4.45Å; L669-A685 HydrophobicContact CD1-CB 3.82Å; L669-A685 HydrophobicContact CD2-CB 3.9Å; P681-A685 WeakPolarHBondContact O-CB 3.4Å; P681-A685 PolarHBondContact O-N 3.29Å; S682-A685 PolarHBondContact O-N 2.89Å; A685-T689 WeakPolarHBondContact O-CB 3.36Å; A685-T689 PolarHBondContact O-N 3.16Å; A685-T689 PolarHBondContact O-OG1 3.05Å
686V97.2Very high94.8Very high8 Ų845.2 Ų45.25%0.04826%0.262CS..Hα-helixtrans-63.8-47.5174.4170.80000110.7L666 L669 L673 S682 L683 F684 S688 T689 L690 I705L666-V686 HydrophobicContact CD2-CG2 4.41Å; L669-V686 HydrophobicContact CB-CG2 3.56Å; L669-V686 HydrophobicContact CD1-CG2 3.98Å; L669-V686 HydrophobicContact CG-CG2 4.34Å; L673-V686 HydrophobicContact CD1-CG2 3.98Å; S682-V686 WeakPolarHBondContact O-CB 3.41Å; S682-V686 VanDerWaalsContact O-CG2 3.3Å; S682-V686 WeakPolarHBondContact O-CG2 3.4Å; S682-V686 PolarHBondContact O-N 2.96Å; L683-V686 PolarHBondContact O-N 3.42Å; F684-V686 PolarHBondContact O-N 3.08Å; V686-S688 VanDerWaalsContact C-N 3.34Å; V686-S688 PolarHBondContact O-N 2.82Å; V686-T689 PolarHBondContact O-N 3.18Å; V686-L690 HydrophobicContact CG1-CD1 3.71Å; V686-L690 HydrophobicContact CG1-CG 4.14Å; V686-L690 WeakPolarHBondContact O-CB 3.49Å; V686-L690 VanDerWaalsContact O-CG 3.3Å; V686-L690 WeakPolarHBondContact O-CG 3.32Å; V686-L690 PolarHBondContact O-N 3.29Å; V686-I705 HydrophobicContact CG1-CD1 4.29Å
687A96.7Very high94.7Very high0 Ų047.8 Ų47.80%028%0.275CS..Hα-helixtrans-60.3-42.917900000112L683 F684 T689 L690 G691 A702 I705 Y706L683-A687 VanDerWaalsContact O-CB 3.28Å; L683-A687 WeakPolarHBondContact O-CB 3.41Å; L683-A687 PolarHBondContact O-N 3.36Å; F684-A687 PolarHBondContact O-N 3.44Å; A687-T689 PolarHBondContact O-N 3.2Å; A687-L690 PolarHBondContact O-N 3.44Å; A687-G691 PolarHBondContact O-N 3.43Å; A687-A702 HydrophobicContact CB-CB 4.41Å; A687-A702 VanDerWaalsContact O-CB 3.25Å; A687-A702 WeakPolarHBondContact O-CB 3.33Å; A687-I705 HydrophobicContact CB-CB 3.92Å; A687-I705 HydrophobicContact CB-CD1 4.4Å; A687-I705 HydrophobicContact CB-CG2 3.77Å; A687-Y706 HydrophobicContact CB-CD1 3.88Å; A687-Y706 HydrophobicContact CB-CD2 4.25Å; A687-Y706 HydrophobicContact CB-CE1 3.57Å; A687-Y706 HydrophobicContact CB-CE2 3.98Å; A687-Y706 HydrophobicContact CB-CG 4.21Å
688S95.8Very high94.6Very high31 Ų3145.3 Ų45.322%0.21726%0.258CS..Hα-helixtrans-60.5-46.9175-59.60000111.2F684 V686 L690 G691 E692 Y706F684-S688 WeakPolarHBondContact O-CB 3.37Å; F684-S688 PolarHBondContact O-N 2.86Å; F684-S688 PolarHBondContact O-OG 3.23Å; V686-S688 VanDerWaalsContact C-N 3.34Å; V686-S688 PolarHBondContact O-N 2.82Å; S688-L690 VanDerWaalsContact C-N 3.34Å; S688-L690 PolarHBondContact O-N 3.17Å; S688-G691 PolarHBondContact O-N 2.86Å; S688-E692 WeakPolarHBondContact O-CG 3.36Å; S688-E692 PolarHBondContact O-N 3.27Å; S688-Y706 WeakPolarHBondContact CA-OH 3.49Å; S688-Y706 WeakPolarHBondContact CB-OH 3.42Å; S688-Y706 PolarHBondContact N-OH 3.47Å; S688-Y706 VanDerWaalsContact N-OH 3.1Å; S688-Y706 PolarHBondContact OG-OH 3.01Å
689T94.4Very high94.6Very high10 Ų1040.8 Ų40.86%0.06124%0.237CC..Hα-helixtrans-65.5-35.8-179.1-540000113L657 K662 L666 A685 V686 A687L657-T689 WeakPolarHBondContact CD1-OG1 3.49Å; L657-T689 HydrophobicContact CD2-CG2 3.94Å; K662-T689 HydrophobicContact CD-CG2 4.26Å; K662-T689 HydrophobicContact CG-CG2 4.04Å; K662-T689 PolarHBondContact NZ-O 3.3Å; K662-T689 VanDerWaalsContact NZ-O 3.08Å; L666-T689 HydrophobicContact CD1-CG2 3.84Å; L666-T689 HydrophobicContact CD2-CG2 3.6Å; L666-T689 HydrophobicContact CG-CG2 3.74Å; A685-T689 WeakPolarHBondContact O-CB 3.36Å; A685-T689 PolarHBondContact O-N 3.16Å; A685-T689 PolarHBondContact O-OG1 3.05Å; V686-T689 PolarHBondContact O-N 3.18Å; A687-T689 PolarHBondContact O-N 3.2Å
690L94.5Very high94.5Very high22 Ų2244.2 Ų44.212%0.11526%0.255CS..Hα-helixtrans-75.4-36.2174.8-71177.2000112.2V686 A687 S688 E692 S693 D698 R701 A702 I705V686-L690 HydrophobicContact CG1-CD1 3.71Å; V686-L690 HydrophobicContact CG1-CG 4.14Å; V686-L690 WeakPolarHBondContact O-CB 3.49Å; V686-L690 VanDerWaalsContact O-CG 3.3Å; V686-L690 WeakPolarHBondContact O-CG 3.32Å; V686-L690 PolarHBondContact O-N 3.29Å; A687-L690 PolarHBondContact O-N 3.44Å; S688-L690 VanDerWaalsContact C-N 3.34Å; S688-L690 PolarHBondContact O-N 3.17Å; L690-E692 VanDerWaalsContact C-N 3.28Å; L690-E692 PolarHBondContact O-N 3.45Å; L690-S693 WeakPolarHBondContact O-CB 3.19Å; L690-S693 PolarHBondContact O-N 3.13Å; L690-D698 HydrophobicContact CB-CB 4.29Å; L690-D698 HydrophobicContact CD2-CB 4.09Å; L690-R701 HydrophobicContact CD1-CB 4.23Å; L690-A702 HydrophobicContact CB-CB 4.08Å; L690-I705 HydrophobicContact CD1-CD1 4.38Å
691G93.3Very high94.5Very high11 Ų1147.7 Ų47.711%0.11327%0.265CS..Hα-helixtrans-64.1-33.3178.500000112.8A687 S688 S693 L726A687-G691 PolarHBondContact O-N 3.43Å; S688-G691 PolarHBondContact O-N 2.86Å; G691-S693 PolarHBondContact O-N 3.05Å; G691-L726 WeakPolarHBondContact O-CD1 3.45Å
692E90.5Very high94.5Very high149 Ų14946 Ų4670%0.69626%0.255SS*.THydrogen-bonded Turntrans-71.5-9.4172.5-68.7171.8-176.200113.9S688 L690S688-E692 WeakPolarHBondContact O-CG 3.36Å; S688-E692 PolarHBondContact O-N 3.27Å; L690-E692 VanDerWaalsContact C-N 3.28Å; L690-E692 PolarHBondContact O-N 3.45Å
693S90Very high94.4Very high29 Ų2946.5 Ų46.520%0.20326%0.257CS..SBendtrans-71.9142.7177.3-171.10000110.8L690 G691 N695 D698 Q699L690-S693 WeakPolarHBondContact O-CB 3.19Å; L690-S693 PolarHBondContact O-N 3.13Å; G691-S693 PolarHBondContact O-N 3.05Å; S693-N695 PolarHBondContact O-N 3.11Å; S693-N695 PolarHBondContact OG-N 2.96Å; S693-D698 WeakPolarHBondContact CB-OD2 3.44Å; S693-D698 PolarHBondContact OG-OD2 3.29Å; S693-Q699 WeakPolarHBondContact O-CG 3.5Å; S693-Q699 PolarHBondContact O-NE2 3.03Å
694A87.2Confident94.4Very high95 Ų9549.9 Ų49.979%0.78528%0.275SS*.SBendtrans-73.8-9.6171.200000112.8P696A694-P696 WeakPolarHBondContact O-CD 3.23Å
695N92.3Very high94.4Very high65 Ų6549.5 Ų49.535%0.34828%0.275SS..  trans-76.8120.5-179.9-178.7-1.1000111.3S693 D697 D698 Q699S693-N695 PolarHBondContact O-N 3.11Å; S693-N695 PolarHBondContact OG-N 2.96Å; N695-D697 PolarHBondContact O-N 3.46Å; N695-D697 VanDerWaalsContact O-N 3.17Å; N695-D697 PolarHBondContact OD1-N 2.94Å; N695-D698 HydrophobicContact CB-CB 4.12Å; N695-D698 WeakPolarHBondContact CB-OD2 3.16Å; N695-D698 PolarHBondContact O-N 3.19Å; N695-D698 VanDerWaalsContact O-N 3.13Å; N695-Q699 WeakPolarHBondContact O-CG 3.33Å; N695-Q699 PolarHBondContact O-N 3.44Å; N695-Q699 VanDerWaalsContact O-N 3.14Å
696P91.6Very high94.4Very high85 Ų8549.3 Ų49.355%0.55227%0.272SS*.Hα-helixtrans-55.7-32.2177.8-26.335.4000114.7A694 L700A694-P696 WeakPolarHBondContact O-CD 3.23Å; P696-L700 PolarHBondContact O-N 2.82Å
697D93.8Very high94.4Very high110 Ų11053.2 Ų53.259%0.58829%0.289SS*.Hα-helixtrans-71.3-40.2179.4-67.4-30.5000111.7N695 Q699 L700 R701N695-D697 PolarHBondContact O-N 3.46Å; N695-D697 VanDerWaalsContact O-N 3.17Å; N695-D697 PolarHBondContact OD1-N 2.94Å; D697-Q699 VanDerWaalsContact C-N 3.34Å; D697-L700 PolarHBondContact O-N 3.44Å; D697-R701 WeakPolarHBondContact O-CG 3.29Å; D697-R701 PolarHBondContact O-N 3.5Å
698D93.9Very high94.4Very high23 Ų2357 Ų5712%0.12331%0.307CS..Hα-helixtrans-63.3-43.6175-68.6-16.6000110.7L690 S693 N695 L700 R701 A702L690-D698 HydrophobicContact CB-CB 4.29Å; L690-D698 HydrophobicContact CD2-CB 4.09Å; S693-D698 WeakPolarHBondContact CB-OD2 3.44Å; S693-D698 PolarHBondContact OG-OD2 3.29Å; N695-D698 HydrophobicContact CB-CB 4.12Å; N695-D698 WeakPolarHBondContact CB-OD2 3.16Å; N695-D698 PolarHBondContact O-N 3.19Å; N695-D698 VanDerWaalsContact O-N 3.13Å; D698-L700 VanDerWaalsContact C-N 3.33Å; D698-L700 PolarHBondContact O-N 3.31Å; D698-R701 PolarHBondContact O-N 3.33Å; D698-R701 IonicContact OD1-CZ 2.97Å; D698-R701 IonicContact OD1-NE 3.42Å; D698-R701 IonicContact OD1-NH2 3.31Å; D698-R701 PolarHBondContact OD1-NH2 3.1Å; D698-A702 WeakPolarHBondContact O-CB 3.42Å; D698-A702 PolarHBondContact O-N 3.02Å
699Q94.6Very high94.5Very high30 Ų3055.5 Ų55.514%0.1430%0.297CS..Hα-helixtrans-62.7-39.7176.2-64.7178.9-6.500111.9S693 N695 D697 A702 I703 L726 K730S693-Q699 WeakPolarHBondContact O-CG 3.5Å; S693-Q699 PolarHBondContact O-NE2 3.03Å; N695-Q699 WeakPolarHBondContact O-CG 3.33Å; N695-Q699 PolarHBondContact O-N 3.44Å; N695-Q699 VanDerWaalsContact O-N 3.14Å; D697-Q699 VanDerWaalsContact C-N 3.34Å; Q699-A702 PolarHBondContact O-N 3.47Å; Q699-I703 VanDerWaalsContact O-CG1 3.29Å; Q699-I703 WeakPolarHBondContact O-CG1 3.44Å; Q699-I703 PolarHBondContact O-N 3.29Å; Q699-L726 HydrophobicContact CB-CD1 4.07Å; Q699-L726 HydrophobicContact CG-CD1 3.92Å; Q699-K730 HydrophobicContact CB-CD 4.46Å
700L94.9Very high94.6Very high86 Ų8657 Ų5745%0.4530%0.304SS..Hα-helixtrans-65.7-41.7175.5-17662.7000111.5P696 D697 D698 A702 I703 N704P696-L700 PolarHBondContact O-N 2.82Å; D697-L700 PolarHBondContact O-N 3.44Å; D698-L700 VanDerWaalsContact C-N 3.33Å; D698-L700 PolarHBondContact O-N 3.31Å; L700-A702 VanDerWaalsContact C-N 3.35Å; L700-A702 PolarHBondContact O-N 2.89Å; L700-I703 PolarHBondContact O-N 2.92Å; L700-N704 PolarHBondContact O-N 3.35Å; L700-N704 PolarHBondContact O-ND2 3.43Å
701R95.8Very high94.6Very high138 Ų13863.9 Ų63.952%0.52133%0.333SS..Hα-helixtrans-60.8-43.2173.8-71.9-169-69.6175.4-3.1111.8L690 D697 D698 I703 N704 I705L690-R701 HydrophobicContact CD1-CB 4.23Å; D697-R701 WeakPolarHBondContact O-CG 3.29Å; D697-R701 PolarHBondContact O-N 3.5Å; D698-R701 PolarHBondContact O-N 3.33Å; D698-R701 IonicContact OD1-CZ 2.97Å; D698-R701 IonicContact OD1-NE 3.42Å; D698-R701 IonicContact OD1-NH2 3.31Å; D698-R701 PolarHBondContact OD1-NH2 3.1Å; R701-I703 PolarHBondContact O-N 3.49Å; R701-N704 PolarHBondContact O-N 2.89Å; R701-I705 WeakPolarHBondContact O-CG1 3.43Å; R701-I705 PolarHBondContact O-N 2.91Å
702A96.7Very high94.6Very high0 Ų068.5 Ų68.50%035%0.352CS..Hα-helixtrans-58.9-46.2175.100000112A687 L690 D698 Q699 L700 N704 I705 Y706 L726A687-A702 HydrophobicContact CB-CB 4.41Å; A687-A702 VanDerWaalsContact O-CB 3.25Å; A687-A702 WeakPolarHBondContact O-CB 3.33Å; L690-A702 HydrophobicContact CB-CB 4.08Å; D698-A702 WeakPolarHBondContact O-CB 3.42Å; D698-A702 PolarHBondContact O-N 3.02Å; Q699-A702 PolarHBondContact O-N 3.47Å; L700-A702 VanDerWaalsContact C-N 3.35Å; L700-A702 PolarHBondContact O-N 2.89Å; A702-N704 PolarHBondContact O-N 2.92Å; A702-I705 PolarHBondContact O-N 3.37Å; A702-Y706 HydrophobicContact CB-CE2 4.44Å; A702-Y706 VanDerWaalsContact O-CD2 3.24Å; A702-Y706 WeakPolarHBondContact O-CD2 3.43Å; A702-Y706 PolarHBondContact O-N 3.32Å; A702-L726 HydrophobicContact CB-CD2 4.02Å
703I96.6Very high94.8Very high11 Ų1167.2 Ų67.26%0.05635%0.349CS..Hα-helixtrans-57.1-48.5176.2-68.6163.9000110.8Q699 L700 R701 I705 Y706 E707 L723 L726 K730Q699-I703 VanDerWaalsContact O-CG1 3.29Å; Q699-I703 WeakPolarHBondContact O-CG1 3.44Å; Q699-I703 PolarHBondContact O-N 3.29Å; L700-I703 PolarHBondContact O-N 2.92Å; R701-I703 PolarHBondContact O-N 3.49Å; I703-I705 VanDerWaalsContact C-N 3.31Å; I703-I705 PolarHBondContact O-N 3.48Å; I703-Y706 PolarHBondContact O-N 3.26Å; I703-E707 HydrophobicContact CG2-CG 4.28Å; I703-E707 WeakPolarHBondContact O-CG 3.37Å; I703-E707 PolarHBondContact O-N 3.49Å; I703-L723 HydrophobicContact CB-CD2 4.46Å; I703-L723 HydrophobicContact CG1-CD2 4.25Å; I703-L723 HydrophobicContact CG2-CD2 4.29Å; I703-L726 HydrophobicContact CD1-CD2 4.23Å; I703-L726 HydrophobicContact CG1-CD2 3.54Å; I703-L726 HydrophobicContact CG1-CG 4.29Å; I703-K730 HydrophobicContact CD1-CD 3.99Å
704N97.3Very high95.1Very high90 Ų9067.5 Ų67.548%0.48135%0.347SS..Hα-helixtrans-61.5-39.4-179.2-67.7-17.9000112.2L700 R701 A702 H708L700-N704 PolarHBondContact O-N 3.35Å; L700-N704 PolarHBondContact O-ND2 3.43Å; R701-N704 PolarHBondContact O-N 2.89Å; A702-N704 PolarHBondContact O-N 2.92Å; N704-H708 WeakPolarHBondContact O-CB 3.37Å; N704-H708 PolarHBondContact O-N 3.28Å
705I97.5Very high95.5Very high35 Ų3567 Ų6718%0.17933%0.328CS..Hα-helixtrans-66.7-45.8176.2-64.4165.6000110.5L683 V686 A687 L690 R701 A702 I703 E707 H708 L709L683-I705 HydrophobicContact CB-CG2 3.79Å; L683-I705 HydrophobicContact CD2-CG2 4.1Å; L683-I705 HydrophobicContact CG-CG2 4.46Å; L683-I705 WeakPolarHBondContact O-CG2 3.48Å; V686-I705 HydrophobicContact CG1-CD1 4.29Å; A687-I705 HydrophobicContact CB-CB 3.92Å; A687-I705 HydrophobicContact CB-CD1 4.4Å; A687-I705 HydrophobicContact CB-CG2 3.77Å; L690-I705 HydrophobicContact CD1-CD1 4.38Å; R701-I705 WeakPolarHBondContact O-CG1 3.43Å; R701-I705 PolarHBondContact O-N 2.91Å; A702-I705 PolarHBondContact O-N 3.37Å; I703-I705 VanDerWaalsContact C-N 3.31Å; I703-I705 PolarHBondContact O-N 3.48Å; I705-E707 PolarHBondContact O-N 2.92Å; I705-H708 WeakPolarHBondContact O-CB 3.26Å; I705-H708 PolarHBondContact O-N 3.47Å; I705-H708 VanDerWaalsContact O-N 3.16Å; I705-L709 HydrophobicContact CG2-CD1 4.21Å; I705-L709 HydrophobicContact CG2-CG 4.49Å; I705-L709 WeakPolarHBondContact O-CG 3.47Å; I705-L709 PolarHBondContact O-N 2.93Å
706Y98.2Very high95.7Very high7 Ų765.4 Ų65.43%0.02732%0.322CS..Hα-helixtrans-62.7-40.8177.1-73.8-44.9000113F684 A687 S688 A702 I703 H708 L709 L710 V719 A722 L723F684-Y706 HydrophobicContact CD2-CD1 4.29Å; F684-Y706 AromaticContact CD2-CE1 3.74Å; F684-Y706 HydrophobicContact CD2-CE1 3.74Å; F684-Y706 HydrophobicContact CE2-CD1 4.49Å; F684-Y706 AromaticContact CE2-CE1 3.78Å; F684-Y706 HydrophobicContact CE2-CE1 3.78Å; A687-Y706 HydrophobicContact CB-CD1 3.88Å; A687-Y706 HydrophobicContact CB-CD2 4.25Å; A687-Y706 HydrophobicContact CB-CE1 3.57Å; A687-Y706 HydrophobicContact CB-CE2 3.98Å; A687-Y706 HydrophobicContact CB-CG 4.21Å; S688-Y706 WeakPolarHBondContact CA-OH 3.49Å; S688-Y706 WeakPolarHBondContact CB-OH 3.42Å; S688-Y706 PolarHBondContact N-OH 3.47Å; S688-Y706 VanDerWaalsContact N-OH 3.1Å; S688-Y706 PolarHBondContact OG-OH 3.01Å; A702-Y706 HydrophobicContact CB-CE2 4.44Å; A702-Y706 VanDerWaalsContact O-CD2 3.24Å; A702-Y706 WeakPolarHBondContact O-CD2 3.43Å; A702-Y706 PolarHBondContact O-N 3.32Å; I703-Y706 PolarHBondContact O-N 3.26Å; Y706-H708 VanDerWaalsContact C-N 3.27Å; Y706-H708 PolarHBondContact O-N 3.32Å; Y706-L709 HydrophobicContact CD1-CD1 4.24Å; Y706-L709 PolarHBondContact O-N 2.56Å; Y706-L710 PolarHBondContact O-N 2.98Å; Y706-V719 HydrophobicContact CD1-CG1 3.82Å; Y706-V719 HydrophobicContact CG-CG1 4.1Å; Y706-V719 WeakPolarHBondContact O-CG1 3.43Å; Y706-A722 HydrophobicContact CE1-CB 4.07Å; Y706-A722 HydrophobicContact CE2-CB 3.95Å; Y706-A722 WeakPolarHBondContact OH-CB 3.33Å; Y706-L723 HydrophobicContact CD2-CD2 3.92Å; Y706-L723 HydrophobicContact CD2-CG 4.07Å; Y706-L723 HydrophobicContact CG-CD2 4.26Å; Y706-L723 HydrophobicContact CG-CG 4.15Å
707E96.7Very high96Very high90 Ų9064 Ų6442%0.42131%0.309SS..Hα-helixtrans-63.1-34.8174.1-73.6-177.6177.200112I703 I705 K711I703-E707 HydrophobicContact CG2-CG 4.28Å; I703-E707 WeakPolarHBondContact O-CG 3.37Å; I703-E707 PolarHBondContact O-N 3.49Å; I705-E707 PolarHBondContact O-N 2.92Å; E707-K711 WeakPolarHBondContact O-CG 3.49Å; E707-K711 PolarHBondContact O-N 3.49Å
708H96.7Very high96.2Very high79 Ų7963.6 Ų63.637%0.36630%0.302SS..Hα-helixtrans-65.5-45.1171.8-177.573.4000112N704 I705 Y706 L710 K711 Q712N704-H708 WeakPolarHBondContact O-CB 3.37Å; N704-H708 PolarHBondContact O-N 3.28Å; I705-H708 WeakPolarHBondContact O-CB 3.26Å; I705-H708 PolarHBondContact O-N 3.47Å; I705-H708 VanDerWaalsContact O-N 3.16Å; Y706-H708 VanDerWaalsContact C-N 3.27Å; Y706-H708 PolarHBondContact O-N 3.32Å; H708-L710 VanDerWaalsContact C-N 3.34Å; H708-L710 PolarHBondContact O-N 3.33Å; H708-K711 WeakPolarHBondContact O-CB 3.45Å; H708-K711 PolarHBondContact O-N 3.41Å; H708-K711 VanDerWaalsContact O-N 3.16Å; H708-Q712 PolarHBondContact O-N 2.9Å
709L97.7Very high96.4Very high0 Ų062.5 Ų62.50%030%0.296CS..Hα-helixtrans-62.2-38.2177.2-70.8171.6000112.6E680 L683 F684 I705 Y706 K711 Q712 N713 F714 V719E680-L709 HydrophobicContact CB-CD2 3.84Å; E680-L709 HydrophobicContact CG-CD2 4.18Å; L683-L709 HydrophobicContact CB-CD1 4.28Å; L683-L709 HydrophobicContact CB-CD2 4.05Å; L683-L709 HydrophobicContact CB-CG 4.41Å; L683-L709 HydrophobicContact CD1-CD2 4.21Å; F684-L709 HydrophobicContact CB-CD1 3.9Å; F684-L709 HydrophobicContact CD2-CD1 4.21Å; I705-L709 HydrophobicContact CG2-CD1 4.21Å; I705-L709 HydrophobicContact CG2-CG 4.49Å; I705-L709 WeakPolarHBondContact O-CG 3.47Å; I705-L709 PolarHBondContact O-N 2.93Å; Y706-L709 HydrophobicContact CD1-CD1 4.24Å; Y706-L709 PolarHBondContact O-N 2.56Å; L709-K711 VanDerWaalsContact C-N 3.32Å; L709-K711 PolarHBondContact O-N 2.95Å; L709-Q712 CarbonylContact O-C 2.97Å; L709-Q712 PolarHBondContact O-N 3.47Å; L709-Q712 VanDerWaalsContact O-N 3.14Å; L709-N713 PolarHBondContact O-N 3.33Å; L709-F714 HydrophobicContact CB-CB 4.32Å; L709-F714 HydrophobicContact CB-CD1 4.43Å; L709-F714 HydrophobicContact CD1-CD1 4.27Å; L709-F714 HydrophobicContact CD2-CB 4.12Å; L709-F714 HydrophobicContact CD2-CD1 3.9Å; L709-F714 HydrophobicContact CD2-CG 4.14Å; L709-F714 HydrophobicContact CG-CD1 4.44Å; L709-F714 PolarHBondContact O-N 2.96Å; L709-F714 VanDerWaalsContact O-N 3.07Å; L709-V719 HydrophobicContact CB-CG2 4.26Å
710L96.5Very high96.5Very high42 Ų4262.3 Ų62.322%0.2230%0.295CS..Hα-helixtrans-62.7-37.7174-76.6174.3000112.5Y706 H708 Q712 N713 P716 V719 H720 L723Y706-L710 PolarHBondContact O-N 2.98Å; H708-L710 VanDerWaalsContact C-N 3.34Å; H708-L710 PolarHBondContact O-N 3.33Å; L710-Q712 PolarHBondContact O-N 3.01Å; L710-N713 PolarHBondContact O-N 2.87Å; L710-P716 HydrophobicContact CD2-CB 4.36Å; L710-V719 HydrophobicContact CD1-CG1 4.2Å; L710-V719 HydrophobicContact CD2-CB 4Å; L710-V719 HydrophobicContact CD2-CG1 3.88Å; L710-V719 HydrophobicContact CG-CB 4.29Å; L710-V719 HydrophobicContact CG-CG1 3.61Å; L710-H720 VanDerWaalsContact CD1-CE1 3.46Å; L710-H720 WeakPolarHBondContact CD1-CE1 3.47Å; L710-L723 HydrophobicContact CD1-CD1 3.61Å
711K95.4Very high96.7Very high166 Ų16660.7 Ų60.772%0.72229%0.285SS*.Hα-helixtrans-64.2-28.2175.8-70.9171.6-177.2175.10112.3E707 H708 L709 N713E707-K711 WeakPolarHBondContact O-CG 3.49Å; E707-K711 PolarHBondContact O-N 3.49Å; H708-K711 WeakPolarHBondContact O-CB 3.45Å; H708-K711 PolarHBondContact O-N 3.41Å; H708-K711 VanDerWaalsContact O-N 3.16Å; L709-K711 VanDerWaalsContact C-N 3.32Å; L709-K711 PolarHBondContact O-N 2.95Å; K711-N713 VanDerWaalsContact C-N 3.33Å
712Q93Very high96.8Very high109 Ų10955 Ų5551%0.50927%0.267SS..THydrogen-bonded Turntrans-88.11174.1-57-54.8-29.500113.4E680 H708 L709 L710 F714E680-Q712 WeakPolarHBondContact OE1-CB 3.25Å; H708-Q712 PolarHBondContact O-N 2.9Å; L709-Q712 CarbonylContact O-C 2.97Å; L709-Q712 PolarHBondContact O-N 3.47Å; L709-Q712 VanDerWaalsContact O-N 3.14Å; L710-Q712 PolarHBondContact O-N 3.01Å; Q712-F714 PolarHBondContact O-N 3.46Å
713N94.5Very high96.8Very high121 Ų12155 Ų5565%0.64727%0.267SS*.THydrogen-bonded Turntrans58.429.5-175.8-163.145000113.8L709 L710 K711 E715L709-N713 PolarHBondContact O-N 3.33Å; L710-N713 PolarHBondContact O-N 2.87Å; K711-N713 VanDerWaalsContact C-N 3.33Å; N713-E715 PolarHBondContact O-N 3.47Å
714F96.4Very high96.9Very high36 Ų3654.5 Ų54.516%0.15826%0.264CS..  trans-77117176.9178.7-99.6000110.8E680 P681 F684 L709 Q712 V719E680-F714 HydrophobicContact CB-CB 4.39Å; E680-F714 HydrophobicContact CB-CD1 4.25Å; E680-F714 HydrophobicContact CB-CD2 3.42Å; E680-F714 VanDerWaalsContact CB-CD2 3.42Å; E680-F714 HydrophobicContact CB-CE1 4.4Å; E680-F714 HydrophobicContact CB-CE2 3.6Å; E680-F714 HydrophobicContact CB-CG 3.76Å; E680-F714 HydrophobicContact CB-CZ 4.1Å; E680-F714 HydrophobicContact CG-CD2 4.13Å; E680-F714 HydrophobicContact CG-CG 4.4Å; E680-F714 WeakPolarHBondContact OE2-CD2 3.47Å; P681-F714 HydrophobicContact CG-CE2 4.4Å; P681-F714 HydrophobicContact CG-CZ 4.37Å; F684-F714 HydrophobicContact CB-CE1 3.77Å; F684-F714 HydrophobicContact CD2-CE1 4.19Å; F684-F714 HydrophobicContact CG-CE1 4.1Å; L709-F714 HydrophobicContact CB-CB 4.32Å; L709-F714 HydrophobicContact CB-CD1 4.43Å; L709-F714 HydrophobicContact CD1-CD1 4.27Å; L709-F714 HydrophobicContact CD2-CB 4.12Å; L709-F714 HydrophobicContact CD2-CD1 3.9Å; L709-F714 HydrophobicContact CD2-CG 4.14Å; L709-F714 HydrophobicContact CG-CD1 4.44Å; L709-F714 PolarHBondContact O-N 2.96Å; L709-F714 VanDerWaalsContact O-N 3.07Å; Q712-F714 PolarHBondContact O-N 3.46Å; F714-V719 HydrophobicContact CD1-CG2 4.39Å; F714-V719 VanDerWaalsContact O-CG2 3.29Å; F714-V719 WeakPolarHBondContact O-CG2 3.44Å
715E95.4Very high96.8Very high83 Ų8353.8 Ų53.839%0.38826%0.259SS..SBendtrans41.957.2171.1-72.5-87.6-152.800113.8N713 I717 K718 V719N713-E715 PolarHBondContact O-N 3.47Å; E715-I717 PolarHBondContact O-N 2.93Å; E715-I717 VanDerWaalsContact O-N 3.09Å; E715-K718 HydrophobicContact CB-CB 4.27Å; E715-K718 HydrophobicContact CB-CD 4.14Å; E715-K718 HydrophobicContact CB-CG 4.45Å; E715-K718 VanDerWaalsContact CD-NZ 3.28Å; E715-K718 HydrophobicContact CG-CD 4.32Å; E715-K718 PolarHBondContact O-N 3.08Å; E715-K718 IonicContact OE1-NZ 2.72Å; E715-K718 PolarHBondContact OE1-NZ 3.38Å; E715-K718 WeakPolarHBondContact OE2-CE 3.38Å; E715-K718 IonicContact OE2-NZ 3.71Å; E715-K718 PolarHBondContact OE2-NZ 3.43Å; E715-V719 PolarHBondContact O-N 3.49Å
716P97.1Very high96.7Very high33 Ų3352.4 Ų52.421%0.21425%0.252CS..Hα-helixtrans-60.4-30.9-16523-34.6000113.6L710 H720 L746L710-P716 HydrophobicContact CD2-CB 4.36Å; P716-H720 VanDerWaalsContact O-CB 3.27Å; P716-H720 WeakPolarHBondContact O-CB 3.28Å; P716-H720 PolarHBondContact O-CD2 2.9Å; P716-H720 PolarHBondContact O-N 2.75Å; P716-L746 HydrophobicContact CB-CD1 3.93Å; P716-L746 HydrophobicContact CG-CD1 4.1Å
717I97.9Very high96.6Very high54 Ų5452.4 Ų52.428%0.27725%0.253SS..Hα-helixtrans-61.8-51.7174.3-67.2171.4000110.5E715 F721 V743 L746 D747E715-I717 PolarHBondContact O-N 2.93Å; E715-I717 VanDerWaalsContact O-N 3.09Å; I717-F721 VanDerWaalsContact O-CB 3.3Å; I717-F721 WeakPolarHBondContact O-CB 3.27Å; I717-F721 PolarHBondContact O-N 3.29Å; I717-V743 HydrophobicContact CG2-CG1 4.05Å; I717-L746 HydrophobicContact CD1-CB 4.15Å; I717-L746 HydrophobicContact CG1-CB 3.76Å; I717-L746 HydrophobicContact CG1-CD1 4.05Å; I717-D747 HydrophobicContact CD1-CB 4Å
718K97.1Very high96.6Very high103 Ų10349.9 Ų49.945%0.44824%0.243SC..Hα-helixtrans-64.3-43.1-179.6-64.7178.5-175.21580111.1F684 E715 F721 A722F684-K718 HydrophobicContact CE2-CB 3.99Å; F684-K718 HydrophobicContact CZ-CB 3.93Å; E715-K718 HydrophobicContact CB-CB 4.27Å; E715-K718 HydrophobicContact CB-CD 4.14Å; E715-K718 HydrophobicContact CB-CG 4.45Å; E715-K718 VanDerWaalsContact CD-NZ 3.28Å; E715-K718 HydrophobicContact CG-CD 4.32Å; E715-K718 PolarHBondContact O-N 3.08Å; E715-K718 IonicContact OE1-NZ 2.72Å; E715-K718 PolarHBondContact OE1-NZ 3.38Å; E715-K718 WeakPolarHBondContact OE2-CE 3.38Å; E715-K718 IonicContact OE2-NZ 3.71Å; E715-K718 PolarHBondContact OE2-NZ 3.43Å; K718-F721 PolarHBondContact O-N 2.92Å; K718-A722 WeakPolarHBondContact O-CB 3.29Å; K718-A722 PolarHBondContact O-N 2.84Å
719V97.9Very high96.3Very high0 Ų051 Ų510%025%0.252CS..Hα-helixtrans-69.1-45-177.9-178.50000111.7F684 Y706 L709 L710 F714 E715 F721 A722 L723F684-V719 HydrophobicContact CD2-CG2 3.92Å; F684-V719 HydrophobicContact CE2-CG2 3.95Å; Y706-V719 HydrophobicContact CD1-CG1 3.82Å; Y706-V719 HydrophobicContact CG-CG1 4.1Å; Y706-V719 WeakPolarHBondContact O-CG1 3.43Å; L709-V719 HydrophobicContact CB-CG2 4.26Å; L710-V719 HydrophobicContact CD1-CG1 4.2Å; L710-V719 HydrophobicContact CD2-CB 4Å; L710-V719 HydrophobicContact CD2-CG1 3.88Å; L710-V719 HydrophobicContact CG-CB 4.29Å; L710-V719 HydrophobicContact CG-CG1 3.61Å; F714-V719 HydrophobicContact CD1-CG2 4.39Å; F714-V719 VanDerWaalsContact O-CG2 3.29Å; F714-V719 WeakPolarHBondContact O-CG2 3.44Å; E715-V719 PolarHBondContact O-N 3.49Å; V719-F721 VanDerWaalsContact C-N 3.35Å; V719-F721 PolarHBondContact O-N 3.38Å; V719-A722 PolarHBondContact O-N 3.15Å; V719-L723 HydrophobicContact CG1-CD1 4.17Å; V719-L723 WeakPolarHBondContact O-CB 3.32Å; V719-L723 WeakPolarHBondContact O-CG 3.19Å; V719-L723 PolarHBondContact O-N 2.95Å
720H98.3Very high96.1Very high25 Ų2554.1 Ų54.112%0.11627%0.265CS..Hα-helixtrans-64.3-39.5174.4-82.2-44.6000112.1L710 P716 L723 G724 H739 N742 V743L710-H720 VanDerWaalsContact CD1-CE1 3.46Å; L710-H720 WeakPolarHBondContact CD1-CE1 3.47Å; P716-H720 VanDerWaalsContact O-CB 3.27Å; P716-H720 WeakPolarHBondContact O-CB 3.28Å; P716-H720 PolarHBondContact O-CD2 2.9Å; P716-H720 PolarHBondContact O-N 2.75Å; H720-L723 PolarHBondContact O-N 3.41Å; H720-G724 PolarHBondContact O-N 2.98Å; H720-H739 AromaticContact CE1-ND1 3.76Å; H720-H739 AromaticContact ND1-CE1 3.88Å; H720-H739 AromaticContact ND1-ND1 3.12Å; H720-H739 PolarHBondContact ND1-ND1 3.29Å; H720-H739 VanDerWaalsContact ND1-ND1 3.12Å; H720-H739 WeakPolarHBondContact O-CB 3.33Å; H720-N742 PolarHBondContact CE1-ND2 3.09Å; H720-N742 VanDerWaalsContact CE1-ND2 3.31Å; H720-N742 PolarHBondContact NE2-ND2 3.31Å; H720-V743 HydrophobicContact CB-CG2 3.52Å
721F98.3Very high96Very high53 Ų5359.2 Ų59.223%0.23229%0.286CS..Hα-helixtrans-62.1-45.7176.1-176-112.8000111.7I717 K718 V719 G724 M725 Y740 V743 H750 S753I717-F721 VanDerWaalsContact O-CB 3.3Å; I717-F721 WeakPolarHBondContact O-CB 3.27Å; I717-F721 PolarHBondContact O-N 3.29Å; K718-F721 PolarHBondContact O-N 2.92Å; V719-F721 VanDerWaalsContact C-N 3.35Å; V719-F721 PolarHBondContact O-N 3.38Å; F721-G724 PolarHBondContact O-N 3.27Å; F721-M725 HydrophobicContact CE1-CG 4.19Å; F721-M725 HydrophobicContact CE2-CG 4.47Å; F721-M725 HydrophobicContact CE2-SD 4.42Å; F721-M725 HydrophobicContact CZ-CG 4.15Å; F721-M725 HydrophobicContact CZ-SD 4.07Å; F721-M725 WeakPolarHBondContact O-CG 3.37Å; F721-M725 PolarHBondContact O-N 2.88Å; F721-Y740 HydrophobicContact CD2-CD1 4.09Å; F721-Y740 AromaticContact CD2-CE1 3.81Å; F721-Y740 HydrophobicContact CD2-CE1 3.81Å; F721-Y740 HydrophobicContact CE2-CD1 4.43Å; F721-Y740 AromaticContact CE2-CE1 3.89Å; F721-Y740 HydrophobicContact CE2-CE1 3.89Å; F721-V743 HydrophobicContact CB-CG2 4.08Å; F721-H750 AromaticContact CD2-CE1 3.63Å; F721-H750 AromaticContact CE2-CE1 3.84Å; F721-H750 AromaticContact CG-CE1 3.94Å; F721-S753 VanDerWaalsContact CD2-OG 3.3Å; F721-S753 WeakPolarHBondContact CD2-OG 3.5Å
722A97.3Very high96Very high18 Ų1854.6 Ų54.615%0.14927%0.269CS..Hα-helixtrans-62-43.5176.800000112.6Y706 K718 V719 G724 M725 L726Y706-A722 HydrophobicContact CE1-CB 4.07Å; Y706-A722 HydrophobicContact CE2-CB 3.95Å; Y706-A722 WeakPolarHBondContact OH-CB 3.33Å; K718-A722 WeakPolarHBondContact O-CB 3.29Å; K718-A722 PolarHBondContact O-N 2.84Å; V719-A722 PolarHBondContact O-N 3.15Å; A722-G724 VanDerWaalsContact C-N 3.33Å; A722-G724 PolarHBondContact O-N 3.28Å; A722-M725 PolarHBondContact O-N 3.49Å; A722-L726 WeakPolarHBondContact O-CB 3.42Å; A722-L726 PolarHBondContact O-N 3.4Å
723L97.9Very high96.2Very high0 Ų052 Ų520%026%0.255CS..Hα-helixtrans-62.9-38.6172.9-79.3169.6000112.2I703 Y706 L710 V719 H720 L726 Q727I703-L723 HydrophobicContact CB-CD2 4.46Å; I703-L723 HydrophobicContact CG1-CD2 4.25Å; I703-L723 HydrophobicContact CG2-CD2 4.29Å; Y706-L723 HydrophobicContact CD2-CD2 3.92Å; Y706-L723 HydrophobicContact CD2-CG 4.07Å; Y706-L723 HydrophobicContact CG-CD2 4.26Å; Y706-L723 HydrophobicContact CG-CG 4.15Å; L710-L723 HydrophobicContact CD1-CD1 3.61Å; V719-L723 HydrophobicContact CG1-CD1 4.17Å; V719-L723 WeakPolarHBondContact O-CB 3.32Å; V719-L723 WeakPolarHBondContact O-CG 3.19Å; V719-L723 PolarHBondContact O-N 2.95Å; H720-L723 PolarHBondContact O-N 3.41Å; L723-L726 PolarHBondContact O-N 3.42Å; L723-Q727 WeakPolarHBondContact O-CB 3.25Å; L723-Q727 WeakPolarHBondContact O-CG 3.31Å; L723-Q727 PolarHBondContact O-N 2.89Å
724G97.2Very high96.3Very high0 Ų051.7 Ų51.70%025%0.252CS..Hα-helixtrans-59.8-46.5175.200000112H720 F721 A722 T728 Y740H720-G724 PolarHBondContact O-N 2.98Å; F721-G724 PolarHBondContact O-N 3.27Å; A722-G724 VanDerWaalsContact C-N 3.33Å; A722-G724 PolarHBondContact O-N 3.28Å; G724-T728 WeakPolarHBondContact O-CB 3.3Å; G724-T728 PolarHBondContact O-N 3.38Å; G724-T728 PolarHBondContact O-OG1 3.18Å; G724-Y740 VanDerWaalsContact C-CZ 3.43Å; G724-Y740 PolarHBondContact O-OH 3.23Å
725M96.7Very high96.3Very high75 Ų7555.7 Ų55.737%0.36927%0.269SS..Hα-helixtrans-59.4-52.7174.4-67.5-66.4-64.200111.1F721 A722 Q727 T728 D729 Y740 N756F721-M725 HydrophobicContact CE1-CG 4.19Å; F721-M725 HydrophobicContact CE2-CG 4.47Å; F721-M725 HydrophobicContact CE2-SD 4.42Å; F721-M725 HydrophobicContact CZ-CG 4.15Å; F721-M725 HydrophobicContact CZ-SD 4.07Å; F721-M725 WeakPolarHBondContact O-CG 3.37Å; F721-M725 PolarHBondContact O-N 2.88Å; A722-M725 PolarHBondContact O-N 3.49Å; M725-Q727 PolarHBondContact O-N 2.94Å; M725-T728 WeakPolarHBondContact O-CA 3.2Å; M725-T728 VanDerWaalsContact O-CB 3.28Å; M725-T728 WeakPolarHBondContact O-CB 3.38Å; M725-T728 PolarHBondContact O-N 2.82Å; M725-D729 PolarHBondContact O-N 3.47Å; M725-Y740 WeakPolarHBondContact CA-OH 3.38Å; M725-Y740 PolarHBondContact N-OH 2.88Å; M725-Y740 PolarHBondContact SD-OH 3.33Å; M725-Y740 VanDerWaalsContact SD-OH 3.39Å; M725-N756 PolarHBondContact SD-ND2 2.86Å
726L95.4Very high96.4Very high6 Ų651.8 Ų51.83%0.03125%0.251CS..Hα-helixtrans-63.5-38.2-177.1-172.358.4000113G691 Q699 A702 I703 A722 L723 T728 D729 K730G691-L726 WeakPolarHBondContact O-CD1 3.45Å; Q699-L726 HydrophobicContact CB-CD1 4.07Å; Q699-L726 HydrophobicContact CG-CD1 3.92Å; A702-L726 HydrophobicContact CB-CD2 4.02Å; I703-L726 HydrophobicContact CD1-CD2 4.23Å; I703-L726 HydrophobicContact CG1-CD2 3.54Å; I703-L726 HydrophobicContact CG1-CG 4.29Å; A722-L726 WeakPolarHBondContact O-CB 3.42Å; A722-L726 PolarHBondContact O-N 3.4Å; L723-L726 PolarHBondContact O-N 3.42Å; L726-T728 VanDerWaalsContact C-N 3.32Å; L726-D729 PolarHBondContact O-N 3.27Å; L726-K730 WeakPolarHBondContact O-CG 3.37Å; L726-K730 PolarHBondContact O-N 3.4Å
727Q96.1Very high96.5Very high8 Ų850.7 Ų50.74%0.03724%0.244CC..Hα-helixtrans-70.9-29.5174.6-66.9-63.5-20.400112.2L723 M725 K730 K731 N732 K735 A736L723-Q727 WeakPolarHBondContact O-CB 3.25Å; L723-Q727 WeakPolarHBondContact O-CG 3.31Å; L723-Q727 PolarHBondContact O-N 2.89Å; M725-Q727 PolarHBondContact O-N 2.94Å; Q727-K730 CarbonylContact O-C 3.56Å; Q727-K730 PolarHBondContact O-N 2.99Å; Q727-K731 PolarHBondContact O-N 3.37Å; Q727-N732 HydrophobicContact CB-CB 4.31Å; Q727-N732 PolarHBondContact O-N 2.98Å; Q727-N732 VanDerWaalsContact OE1-CB 3.25Å; Q727-N732 PolarHBondContact OE1-ND2 2.85Å; Q727-K735 HydrophobicContact CB-CB 4.37Å; Q727-K735 HydrophobicContact CG-CB 4.13Å; Q727-A736 HydrophobicContact CB-CB 3.84Å
728T95.5Very high96.5Very high37 Ų3754 Ų5423%0.22726%0.257CS..Hα-helixtrans-65.5-45.8172.6-59.80000110.3G724 M725 L726 K730 K731 A736 Y740 L760G724-T728 WeakPolarHBondContact O-CB 3.3Å; G724-T728 PolarHBondContact O-N 3.38Å; G724-T728 PolarHBondContact O-OG1 3.18Å; M725-T728 WeakPolarHBondContact O-CA 3.2Å; M725-T728 VanDerWaalsContact O-CB 3.28Å; M725-T728 WeakPolarHBondContact O-CB 3.38Å; M725-T728 PolarHBondContact O-N 2.82Å; L726-T728 VanDerWaalsContact C-N 3.32Å; T728-K730 VanDerWaalsContact C-N 3.29Å; T728-K730 PolarHBondContact O-N 3.44Å; T728-K731 WeakPolarHBondContact O-CA 3.04Å; T728-K731 PolarHBondContact O-N 2.92Å; T728-A736 WeakPolarHBondContact OG1-CB 3.27Å; T728-Y740 PolarHBondContact OG1-OH 3.29Å; T728-L760 HydrophobicContact CG2-CD2 4.12Å
729D91.9Very high96.5Very high103 Ų10350.7 Ų50.755%0.55124%0.243SC*.Hα-helixtrans-62.5-37177-65.1-21.4000111.9M725 L726 K731M725-D729 PolarHBondContact O-N 3.47Å; L726-D729 PolarHBondContact O-N 3.27Å; D729-K731 PolarHBondContact O-N 2.9Å
730K92.5Very high96.6Very high64 Ų6450.7 Ų50.728%0.27824%0.243SC..THydrogen-bonded Turntrans-76.83.7172.7-65.8-174.674.5150.40114.2Q699 I703 L726 Q727 T728 N732Q699-K730 HydrophobicContact CB-CD 4.46Å; I703-K730 HydrophobicContact CD1-CD 3.99Å; L726-K730 WeakPolarHBondContact O-CG 3.37Å; L726-K730 PolarHBondContact O-N 3.4Å; Q727-K730 CarbonylContact O-C 3.56Å; Q727-K730 PolarHBondContact O-N 2.99Å; T728-K730 VanDerWaalsContact C-N 3.29Å; T728-K730 PolarHBondContact O-N 3.44Å; K730-N732 PolarHBondContact O-N 2.73Å
731K94.3Very high96.6Very high150 Ų15052.9 Ų52.965%0.65225%0.253SS*.THydrogen-bonded Turntrans59.621-178.8-53.7-178.7178.9177.90114.6Q727 T728 D729 Y733Q727-K731 PolarHBondContact O-N 3.37Å; T728-K731 WeakPolarHBondContact O-CA 3.04Å; T728-K731 PolarHBondContact O-N 2.92Å; D729-K731 PolarHBondContact O-N 2.9Å; K731-Y733 VanDerWaalsContact C-N 3.26Å; K731-Y733 HydrophobicContact CB-CE1 4.18Å; K731-Y733 HydrophobicContact CB-CE2 4.21Å; K731-Y733 WeakPolarHBondContact O-CD2 3.4Å; K731-Y733 PolarHBondContact O-N 3.11Å; K731-Y733 VanDerWaalsContact O-N 3.1Å
732N95.6Very high96.6Very high68 Ų6853.2 Ų53.236%0.36426%0.257SS..  trans-87.263.1175.9-72.2-28.3000110.4Q727 K730 I734 K735 A736Q727-N732 HydrophobicContact CB-CB 4.31Å; Q727-N732 PolarHBondContact O-N 2.98Å; Q727-N732 VanDerWaalsContact OE1-CB 3.25Å; Q727-N732 PolarHBondContact OE1-ND2 2.85Å; K730-N732 PolarHBondContact O-N 2.73Å; N732-I734 VanDerWaalsContact C-N 3.28Å; N732-I734 PolarHBondContact O-N 3.14Å; N732-I734 VanDerWaalsContact O-N 3.14Å; N732-K735 HydrophobicContact CB-CB 4.34Å; N732-K735 PolarHBondContact O-N 3.28Å; N732-A736 PolarHBondContact O-N 2.76Å
733Y97.4Very high96.6Very high56 Ų5652.4 Ų52.422%0.2225%0.25CS..Hα-helixtrans-58.9-33.5-167.1-52.1-54.1000114.5K731 A736 S737 L760 H764K731-Y733 VanDerWaalsContact C-N 3.26Å; K731-Y733 HydrophobicContact CB-CE1 4.18Å; K731-Y733 HydrophobicContact CB-CE2 4.21Å; K731-Y733 WeakPolarHBondContact O-CD2 3.4Å; K731-Y733 PolarHBondContact O-N 3.11Å; K731-Y733 VanDerWaalsContact O-N 3.1Å; Y733-A736 PolarHBondContact O-N 3.26Å; Y733-S737 WeakPolarHBondContact O-CB 3.08Å; Y733-S737 PolarHBondContact O-N 2.84Å; Y733-S737 PolarHBondContact O-OG 3.04Å; Y733-L760 HydrophobicContact CD1-CD2 3.49Å; Y733-L760 VanDerWaalsContact CD1-CD2 3.49Å; Y733-L760 HydrophobicContact CE1-CD2 4.19Å; Y733-L760 HydrophobicContact CG-CD2 4.22Å; Y733-H764 HydrophobicContact CD1-CB 4.25Å; Y733-H764 AromaticContact CD1-CD2 3.83Å; Y733-H764 HydrophobicContact CD2-CB 3.62Å; Y733-H764 AromaticContact CD2-CG 3.82Å; Y733-H764 AromaticContact CE1-CD2 3.54Å; Y733-H764 AromaticContact CE1-CG 3.9Å; Y733-H764 AromaticContact CE1-NE2 3.82Å; Y733-H764 HydrophobicContact CE2-CB 3.94Å; Y733-H764 AromaticContact CE2-CG 3.63Å; Y733-H764 AromaticContact CE2-ND1 3.68Å; Y733-H764 HydrophobicContact CG-CB 3.77Å; Y733-H764 AromaticContact CZ-CD2 3.69Å; Y733-H764 AromaticContact CZ-CE1 3.74Å; Y733-H764 AromaticContact CZ-CG 3.66Å; Y733-H764 AromaticContact CZ-ND1 3.7Å; Y733-H764 AromaticContact CZ-NE2 3.75Å
734I96.8Very high96.6Very high113 Ų11354 Ų5458%0.57926%0.259SS*.Hα-helixtrans-67.1-38.2176.7-59.9172.9000111.4N732 S737 K738 L765N732-I734 VanDerWaalsContact C-N 3.28Å; N732-I734 PolarHBondContact O-N 3.14Å; N732-I734 VanDerWaalsContact O-N 3.14Å; I734-S737 PolarHBondContact O-OG 3.41Å; I734-K738 WeakPolarHBondContact O-CG 3.46Å; I734-K738 PolarHBondContact O-N 3.38Å; I734-L765 HydrophobicContact CG1-CD2 4.15Å
735K96.5Very high96.6Very high121 Ų12161 Ų6153%0.52630%0.295SS..Hα-helixtrans-73.6-42.5176.2-71.5-172.1177.5-1760110.6Q727 N732 S737 K738 H739Q727-K735 HydrophobicContact CB-CB 4.37Å; Q727-K735 HydrophobicContact CG-CB 4.13Å; N732-K735 HydrophobicContact CB-CB 4.34Å; N732-K735 PolarHBondContact O-N 3.28Å; K735-S737 VanDerWaalsContact C-N 3.33Å; K735-S737 PolarHBondContact O-N 3.41Å; K735-K738 PolarHBondContact O-N 3.09Å; K735-H739 PolarHBondContact O-CD2 3.22Å; K735-H739 VanDerWaalsContact O-CD2 3.27Å; K735-H739 PolarHBondContact O-N 2.59Å; K735-H739 VanDerWaalsContact O-N 3.11Å
736A97.8Very high96.6Very high0 Ų062.1 Ų62.10%030%0.302CS..Hα-helixtrans-57.3-45.9175.800000111.7Q727 T728 N732 Y733 K738 H739 Y740 L760Q727-A736 HydrophobicContact CB-CB 3.84Å; T728-A736 WeakPolarHBondContact OG1-CB 3.27Å; N732-A736 PolarHBondContact O-N 2.76Å; Y733-A736 PolarHBondContact O-N 3.26Å; A736-K738 VanDerWaalsContact C-N 3.34Å; A736-K738 PolarHBondContact O-N 3.39Å; A736-H739 PolarHBondContact O-N 3.05Å; A736-H739 VanDerWaalsContact O-N 3.16Å; A736-Y740 HydrophobicContact CB-CE2 4.35Å; A736-Y740 VanDerWaalsContact O-CD2 3.26Å; A736-Y740 WeakPolarHBondContact O-CD2 3.4Å; A736-Y740 PolarHBondContact O-N 2.95Å; A736-L760 HydrophobicContact CB-CD1 3.67Å
737S98Very high96.7Very high10 Ų1064.6 Ų64.67%0.0732%0.315CS..Hα-helixtrans-61.8-40.4179.169.90000112.4Y733 I734 K735 H739 Y740 Q741Y733-S737 WeakPolarHBondContact O-CB 3.08Å; Y733-S737 PolarHBondContact O-N 2.84Å; Y733-S737 PolarHBondContact O-OG 3.04Å; I734-S737 PolarHBondContact O-OG 3.41Å; K735-S737 VanDerWaalsContact C-N 3.33Å; K735-S737 PolarHBondContact O-N 3.41Å; S737-H739 VanDerWaalsContact C-N 3.34Å; S737-H739 PolarHBondContact O-N 2.89Å; S737-Y740 PolarHBondContact O-N 3.38Å; S737-Q741 WeakPolarHBondContact O-CB 3.35Å; S737-Q741 WeakPolarHBondContact O-CG 3.29Å; S737-Q741 PolarHBondContact O-N 3.3Å
738K97.9Very high96.7Very high125 Ų12567.2 Ų67.254%0.54333%0.334SS..Hα-helixtrans-61.4-41.7175.3-73.5177.7-179.8-173.70112.1I734 K735 A736 Q741 N742I734-K738 WeakPolarHBondContact O-CG 3.46Å; I734-K738 PolarHBondContact O-N 3.38Å; K735-K738 PolarHBondContact O-N 3.09Å; A736-K738 VanDerWaalsContact C-N 3.34Å; A736-K738 PolarHBondContact O-N 3.39Å; K738-Q741 PolarHBondContact O-N 2.86Å; K738-N742 VanDerWaalsContact O-CG 3.3Å; K738-N742 PolarHBondContact O-N 3.5Å; K738-N742 PolarHBondContact O-OD1 3.31Å
739H98.2Very high96.8Very high32 Ų3268.5 Ų68.515%0.14834%0.34CS..Hα-helixtrans-65.8-44.4177-74.1-50.5000112.5H720 K735 A736 S737 Q741 N742 V743H720-H739 AromaticContact CE1-ND1 3.76Å; H720-H739 AromaticContact ND1-CE1 3.88Å; H720-H739 AromaticContact ND1-ND1 3.12Å; H720-H739 PolarHBondContact ND1-ND1 3.29Å; H720-H739 VanDerWaalsContact ND1-ND1 3.12Å; H720-H739 WeakPolarHBondContact O-CB 3.33Å; K735-H739 PolarHBondContact O-CD2 3.22Å; K735-H739 VanDerWaalsContact O-CD2 3.27Å; K735-H739 PolarHBondContact O-N 2.59Å; K735-H739 VanDerWaalsContact O-N 3.11Å; A736-H739 PolarHBondContact O-N 3.05Å; A736-H739 VanDerWaalsContact O-N 3.16Å; S737-H739 VanDerWaalsContact C-N 3.34Å; S737-H739 PolarHBondContact O-N 2.89Å; H739-Q741 VanDerWaalsContact C-N 3.34Å; H739-Q741 PolarHBondContact O-N 2.9Å; H739-N742 WeakPolarHBondContact O-CB 3.29Å; H739-N742 PolarHBondContact O-N 3.33Å; H739-V743 WeakPolarHBondContact O-CG2 3.34Å; H739-V743 PolarHBondContact O-N 3.1Å
740Y98.5Very high97Very high1 Ų165.2 Ų65.20%0.00432%0.321CS..Hα-helixtrans-64.5-37.6174.8-63.7-48.2000112.7F721 G724 M725 T728 A736 S737 V743 I744 N756 L757 L760F721-Y740 HydrophobicContact CD2-CD1 4.09Å; F721-Y740 AromaticContact CD2-CE1 3.81Å; F721-Y740 HydrophobicContact CD2-CE1 3.81Å; F721-Y740 HydrophobicContact CE2-CD1 4.43Å; F721-Y740 AromaticContact CE2-CE1 3.89Å; F721-Y740 HydrophobicContact CE2-CE1 3.89Å; G724-Y740 VanDerWaalsContact C-CZ 3.43Å; G724-Y740 PolarHBondContact O-OH 3.23Å; M725-Y740 WeakPolarHBondContact CA-OH 3.38Å; M725-Y740 PolarHBondContact N-OH 2.88Å; M725-Y740 PolarHBondContact SD-OH 3.33Å; M725-Y740 VanDerWaalsContact SD-OH 3.39Å; T728-Y740 PolarHBondContact OG1-OH 3.29Å; A736-Y740 HydrophobicContact CB-CE2 4.35Å; A736-Y740 VanDerWaalsContact O-CD2 3.26Å; A736-Y740 WeakPolarHBondContact O-CD2 3.4Å; A736-Y740 PolarHBondContact O-N 2.95Å; S737-Y740 PolarHBondContact O-N 3.38Å; Y740-V743 PolarHBondContact O-N 2.89Å; Y740-I744 WeakPolarHBondContact O-CG1 3.26Å; Y740-I744 PolarHBondContact O-N 3.46Å; Y740-N756 HydrophobicContact CD2-CB 4.32Å; Y740-N756 HydrophobicContact CE1-CB 4.03Å; Y740-N756 HydrophobicContact CE2-CB 3.74Å; Y740-L757 HydrophobicContact CD2-CB 4.34Å; Y740-L757 HydrophobicContact CG-CB 4.44Å; Y740-L760 HydrophobicContact CD2-CD1 3.87Å; Y740-L760 HydrophobicContact CE2-CD1 3.75Å
741Q98.3Very high97.2Very high71 Ų7166.8 Ų66.833%0.33233%0.328SS..Hα-helixtrans-59.6-44.8171.9-74.7167.8-11.300111.4S737 K738 H739 V743 I744 L745 L757 Y761S737-Q741 WeakPolarHBondContact O-CB 3.35Å; S737-Q741 WeakPolarHBondContact O-CG 3.29Å; S737-Q741 PolarHBondContact O-N 3.3Å; K738-Q741 PolarHBondContact O-N 2.86Å; H739-Q741 VanDerWaalsContact C-N 3.34Å; H739-Q741 PolarHBondContact O-N 2.9Å; Q741-V743 VanDerWaalsContact C-N 3.29Å; Q741-V743 PolarHBondContact O-N 3.26Å; Q741-I744 PolarHBondContact O-N 3.36Å; Q741-I744 VanDerWaalsContact O-N 3.14Å; Q741-L745 WeakPolarHBondContact O-CG 3.42Å; Q741-L745 PolarHBondContact O-N 2.94Å; Q741-L757 HydrophobicContact CG-CD2 3.94Å; Q741-Y761 PolarHBondContact NE2-OH 2.97Å
742N98.1Very high97.3Very high60 Ų6060.6 Ų60.632%0.32131%0.307SS..Hα-helixtrans-61.4-37.3176.1-72.1-3.2000112.4H720 K738 H739 L745 L746H720-N742 PolarHBondContact CE1-ND2 3.09Å; H720-N742 VanDerWaalsContact CE1-ND2 3.31Å; H720-N742 PolarHBondContact NE2-ND2 3.31Å; K738-N742 VanDerWaalsContact O-CG 3.3Å; K738-N742 PolarHBondContact O-N 3.5Å; K738-N742 PolarHBondContact O-OD1 3.31Å; H739-N742 WeakPolarHBondContact O-CB 3.29Å; H739-N742 PolarHBondContact O-N 3.33Å; N742-L745 PolarHBondContact O-N 2.91Å; N742-L746 WeakPolarHBondContact O-CG 3.43Å; N742-L746 PolarHBondContact O-N 2.82Å
743V98.3Very high97.4Very high0 Ų057.4 Ų57.40%029%0.29CS..Hα-helixtrans-62.7-47.4172.6175.90000110.7I717 H720 F721 H739 Y740 Q741 L745 L746 D747 H750 S753I717-V743 HydrophobicContact CG2-CG1 4.05Å; H720-V743 HydrophobicContact CB-CG2 3.52Å; F721-V743 HydrophobicContact CB-CG2 4.08Å; H739-V743 WeakPolarHBondContact O-CG2 3.34Å; H739-V743 PolarHBondContact O-N 3.1Å; Y740-V743 PolarHBondContact O-N 2.89Å; Q741-V743 VanDerWaalsContact C-N 3.29Å; Q741-V743 PolarHBondContact O-N 3.26Å; V743-L745 VanDerWaalsContact C-N 3.27Å; V743-L745 PolarHBondContact O-N 2.98Å; V743-L746 CarbonylContact O-C 3.47Å; V743-L746 PolarHBondContact O-N 3.48Å; V743-D747 PolarHBondContact O-N 2.94Å; V743-H750 HydrophobicContact CG1-CB 3.8Å; V743-S753 VanDerWaalsContact CB-OG 3.32Å; V743-S753 WeakPolarHBondContact CB-OG 3.27Å; V743-S753 WeakPolarHBondContact CG1-OG 3.49Å
744I97.6Very high97.4Very high35 Ų3554.8 Ų54.818%0.17928%0.28CS..Hα-helixtrans-64.5-31.6-179.1-66.3161.5000111.9Y740 Q741 L746 D747 S748 L754 L757 L774Y740-I744 WeakPolarHBondContact O-CG1 3.26Å; Y740-I744 PolarHBondContact O-N 3.46Å; Q741-I744 PolarHBondContact O-N 3.36Å; Q741-I744 VanDerWaalsContact O-N 3.14Å; I744-L746 VanDerWaalsContact C-N 3.27Å; I744-L746 PolarHBondContact O-N 3.4Å; I744-D747 WeakPolarHBondContact CA-O 3.49Å; I744-D747 CarbonylContact O-C 3.58Å; I744-S748 WeakPolarHBondContact O-CA 3.41Å; I744-S748 PolarHBondContact O-N 2.72Å; I744-L754 HydrophobicContact CD1-CD2 3.9Å; I744-L754 HydrophobicContact CG1-CD2 4.1Å; I744-L754 HydrophobicContact CG1-CG 4.47Å; I744-L757 HydrophobicContact CD1-CD2 3.62Å; I744-L774 HydrophobicContact CD1-CD2 4.35Å
745L97.5Very high97.4Very high146 Ų14650.7 Ų50.776%0.76426%0.258SS*.Hα-helixtrans-65.8-29.7173-72.9172000112.6Q741 N742 V743Q741-L745 WeakPolarHBondContact O-CG 3.42Å; Q741-L745 PolarHBondContact O-N 2.94Å; N742-L745 PolarHBondContact O-N 2.91Å; V743-L745 VanDerWaalsContact C-N 3.27Å; V743-L745 PolarHBondContact O-N 2.98Å
746L96.6Very high97.5Very high98 Ų9846.7 Ų46.751%0.51324%0.242SC..Hα-helixtrans-92.5-34.1179.5-65172.4000112.8P716 I717 N742 V743 I744P716-L746 HydrophobicContact CB-CD1 3.93Å; P716-L746 HydrophobicContact CG-CD1 4.1Å; I717-L746 HydrophobicContact CD1-CB 4.15Å; I717-L746 HydrophobicContact CG1-CB 3.76Å; I717-L746 HydrophobicContact CG1-CD1 4.05Å; N742-L746 WeakPolarHBondContact O-CG 3.43Å; N742-L746 PolarHBondContact O-N 2.82Å; V743-L746 CarbonylContact O-C 3.47Å; V743-L746 PolarHBondContact O-N 3.48Å; I744-L746 VanDerWaalsContact C-N 3.27Å; I744-L746 PolarHBondContact O-N 3.4Å
747D97.1Very high97.5Very high59 Ų5946.8 Ų46.832%0.31624%0.243SC..  trans-141.199.6176.7174.510.4000109.2I717 V743 I744 D749 H750I717-D747 HydrophobicContact CD1-CB 4Å; V743-D747 PolarHBondContact O-N 2.94Å; I744-D747 WeakPolarHBondContact CA-O 3.49Å; I744-D747 CarbonylContact O-C 3.58Å; D747-D749 PolarHBondContact O-N 3.47Å; D747-D749 PolarHBondContact OD1-N 3.48Å; D747-D749 VanDerWaalsContact OD1-N 3.17Å; D747-H750 HydrophobicContact CB-CB 4.11Å; D747-H750 WeakPolarHBondContact O-CB 3.3Å; D747-H750 PolarHBondContact O-N 2.88Å; D747-H750 PolarHBondContact OD1-N 2.94Å; D747-H750 WeakPolarHBondContact OD2-CB 3.15Å; D747-H750 IonicContact OD2-CD2 2.71Å; D747-H750 IonicContact OD2-CG 3.11Å
748S96.4Very high97.5Very high62 Ų6246.3 Ų46.343%0.43424%0.24SC..THydrogen-bonded Turntrans-64.5-21.3-174.561.90000113.9I744 H777I744-S748 WeakPolarHBondContact O-CA 3.41Å; I744-S748 PolarHBondContact O-N 2.72Å; S748-H777 PolarHBondContact O-NE2 3.27Å
749D96.7Very high97.5Very high65 Ų6542.9 Ų42.935%0.34823%0.227SC..THydrogen-bonded Turntrans-11012.6-172.9-61.1-15.4000112D747 K751 H777 V781 H782D747-D749 PolarHBondContact O-N 3.47Å; D747-D749 PolarHBondContact OD1-N 3.48Å; D747-D749 VanDerWaalsContact OD1-N 3.17Å; D749-K751 PolarHBondContact O-N 2.97Å; D749-H777 IonicContact OD1-CD2 3.41Å; D749-H777 IonicContact OD1-CE1 3.15Å; D749-H777 IonicContact OD1-NE2 2.74Å; D749-H777 PolarHBondContact OD1-NE2 3.34Å; D749-V781 HydrophobicContact CB-CB 4.45Å; D749-V781 HydrophobicContact CB-CG1 4.42Å; D749-V781 HydrophobicContact CB-CG2 4.37Å; D749-H782 PolarHBondContact O-NE2 2.9Å; D749-H782 VanDerWaalsContact O-NE2 3.07Å
750H97.2Very high97.4Very high34 Ų3441.6 Ų41.616%0.15722%0.221CC..  trans-61.6100.2179.5-174.3-66.2000111.6F721 V743 D747 G752 S753 L754F721-H750 AromaticContact CD2-CE1 3.63Å; F721-H750 AromaticContact CE2-CE1 3.84Å; F721-H750 AromaticContact CG-CE1 3.94Å; V743-H750 HydrophobicContact CG1-CB 3.8Å; D747-H750 HydrophobicContact CB-CB 4.11Å; D747-H750 WeakPolarHBondContact O-CB 3.3Å; D747-H750 PolarHBondContact O-N 2.88Å; D747-H750 PolarHBondContact OD1-N 2.94Å; D747-H750 WeakPolarHBondContact OD2-CB 3.15Å; D747-H750 IonicContact OD2-CD2 2.71Å; D747-H750 IonicContact OD2-CG 3.11Å; H750-G752 PolarHBondContact ND1-N 3.48Å; H750-G752 PolarHBondContact O-N 2.97Å; H750-S753 PolarHBondContact ND1-N 3.44Å; H750-S753 PolarHBondContact ND1-OG 3.32Å; H750-S753 PolarHBondContact O-N 2.96Å; H750-L754 PolarHBondContact O-N 3.29Å; H750-L754 VanDerWaalsContact O-N 3.1Å
751K96.1Very high97.4Very high96 Ų9642.6 Ų42.642%0.41723%0.225SC..Hα-helixtrans-47.3-49-176.1-178.7177.4-179.7178.70114.5D749 F755 L778 H785D749-K751 PolarHBondContact O-N 2.97Å; K751-F755 PolarHBondContact O-N 3.32Å; K751-L778 HydrophobicContact CB-CD1 4.39Å; K751-L778 HydrophobicContact CG-CD1 4.19Å; K751-H785 WeakPolarHBondContact CE-CD2 3.48Å
752G96.1Very high97.3Very high21 Ų2141.9 Ų41.922%0.21622%0.219CC..Hα-helixtrans-63.3-56.3-176.100000113H750 L754 F755 N756H750-G752 PolarHBondContact ND1-N 3.48Å; H750-G752 PolarHBondContact O-N 2.97Å; G752-L754 PolarHBondContact O-N 3.26Å; G752-F755 PolarHBondContact O-N 2.9Å; G752-N756 WeakPolarHBondContact O-CB 3.34Å; G752-N756 VanDerWaalsContact O-CG 3.31Å; G752-N756 PolarHBondContact O-N 3.38Å; G752-N756 PolarHBondContact O-ND2 3.16Å
753S97.7Very high97.1Very high0 Ų043.2 Ų43.20%023%0.226CC..Hα-helixtrans-58.6-43.1177.5-57.70000113.9F721 V743 H750 F755 L757F721-S753 VanDerWaalsContact CD2-OG 3.3Å; F721-S753 WeakPolarHBondContact CD2-OG 3.5Å; V743-S753 VanDerWaalsContact CB-OG 3.32Å; V743-S753 WeakPolarHBondContact CB-OG 3.27Å; V743-S753 WeakPolarHBondContact CG1-OG 3.49Å; H750-S753 PolarHBondContact ND1-N 3.44Å; H750-S753 PolarHBondContact ND1-OG 3.32Å; H750-S753 PolarHBondContact O-N 2.96Å; S753-F755 PolarHBondContact O-N 3.33Å; S753-L757 WeakPolarHBondContact O-CB 3.4Å; S753-L757 PolarHBondContact O-N 2.89Å
754L97.9Very high97Very high1 Ų147.6 Ų47.61%0.00525%0.247CC..Hα-helixtrans-58-48.1177-74.6173.4000111.3I744 H750 G752 A758 L774 L778I744-L754 HydrophobicContact CD1-CD2 3.9Å; I744-L754 HydrophobicContact CG1-CD2 4.1Å; I744-L754 HydrophobicContact CG1-CG 4.47Å; H750-L754 PolarHBondContact O-N 3.29Å; H750-L754 VanDerWaalsContact O-N 3.1Å; G752-L754 PolarHBondContact O-N 3.26Å; L754-A758 VanDerWaalsContact O-CB 3.31Å; L754-A758 WeakPolarHBondContact O-CB 3.45Å; L754-A758 PolarHBondContact O-N 2.83Å; L754-L774 HydrophobicContact CD2-CD2 3.76Å; L754-L778 HydrophobicContact CB-CB 4.31Å; L754-L778 HydrophobicContact CB-CD1 4.21Å; L754-L778 HydrophobicContact CB-CD2 4.07Å; L754-L778 HydrophobicContact CB-CG 4.45Å; L754-L778 HydrophobicContact CD1-CB 4.31Å; L754-L778 HydrophobicContact CD1-CD1 3.95Å
755F98.1Very high96.8Very high27 Ų2748.2 Ų48.212%0.11825%0.25CS..Hα-helixtrans-69.6-47.3-179.1-173.1-114000112.6K751 G752 S753 L757 A758 L759 L778 H785 K787 L791K751-F755 PolarHBondContact O-N 3.32Å; G752-F755 PolarHBondContact O-N 2.9Å; S753-F755 PolarHBondContact O-N 3.33Å; F755-L757 VanDerWaalsContact C-N 3.35Å; F755-L757 PolarHBondContact O-N 3.36Å; F755-A758 PolarHBondContact O-N 2.73Å; F755-L759 HydrophobicContact CD1-CD1 4Å; F755-L759 HydrophobicContact CE1-CD1 3.45Å; F755-L759 VanDerWaalsContact CE1-CD1 3.45Å; F755-L759 HydrophobicContact CE1-CG 4.14Å; F755-L759 HydrophobicContact CE2-CG 4.42Å; F755-L759 HydrophobicContact CZ-CD1 3.76Å; F755-L759 HydrophobicContact CZ-CD2 4.22Å; F755-L759 HydrophobicContact CZ-CG 4.05Å; F755-L759 PolarHBondContact O-N 3.31Å; F755-L778 HydrophobicContact CB-CD2 3.64Å; F755-L778 HydrophobicContact CD2-CD2 4.25Å; F755-L778 HydrophobicContact CG-CD2 4.39Å; F755-H785 AromaticContact CD2-CE1 3.58Å; F755-H785 AromaticContact CG-CE1 3.74Å; F755-K787 HydrophobicContact CD2-CB 4.48Å; F755-K787 HydrophobicContact CE1-CB 4.21Å; F755-K787 HydrophobicContact CE1-CD 3.9Å; F755-K787 HydrophobicContact CE2-CB 3.65Å; F755-K787 HydrophobicContact CZ-CB 3.5Å; F755-K787 VanDerWaalsContact CZ-CB 3.5Å; F755-K787 HydrophobicContact CZ-CD 3.95Å; F755-K787 HydrophobicContact CZ-CG 4.32Å; F755-L791 HydrophobicContact CD2-CD2 4.41Å; F755-L791 HydrophobicContact CE2-CB 4.44Å; F755-L791 HydrophobicContact CE2-CD2 4.12Å
756N97.7Very high96.6Very high37 Ų3744.2 Ų44.220%0.19824%0.244CC..Hα-helixtrans-66-38.2-178.3-69.6-16.7000111.8M725 Y740 G752 L759 L760M725-N756 PolarHBondContact SD-ND2 2.86Å; Y740-N756 HydrophobicContact CD2-CB 4.32Å; Y740-N756 HydrophobicContact CE1-CB 4.03Å; Y740-N756 HydrophobicContact CE2-CB 3.74Å; G752-N756 WeakPolarHBondContact O-CB 3.34Å; G752-N756 VanDerWaalsContact O-CG 3.31Å; G752-N756 PolarHBondContact O-N 3.38Å; G752-N756 PolarHBondContact O-ND2 3.16Å; N756-L759 PolarHBondContact O-N 3.44Å; N756-L760 WeakPolarHBondContact O-CG 3.44Å; N756-L760 PolarHBondContact O-N 2.93Å
757L98.1Very high96.5Very high3 Ų344.1 Ų44.12%0.01624%0.24CC..Hα-helixtrans-67.4-39.6174.6-17659.4000111.8Y740 Q741 I744 S753 F755 L759 L760 Y761 L774Y740-L757 HydrophobicContact CD2-CB 4.34Å; Y740-L757 HydrophobicContact CG-CB 4.44Å; Q741-L757 HydrophobicContact CG-CD2 3.94Å; I744-L757 HydrophobicContact CD1-CD2 3.62Å; S753-L757 WeakPolarHBondContact O-CB 3.4Å; S753-L757 PolarHBondContact O-N 2.89Å; F755-L757 VanDerWaalsContact C-N 3.35Å; F755-L757 PolarHBondContact O-N 3.36Å; L757-L759 VanDerWaalsContact C-N 3.33Å; L757-L759 PolarHBondContact O-N 3.43Å; L757-L760 PolarHBondContact O-N 3.47Å; L757-Y761 HydrophobicContact CD1-CD1 4.19Å; L757-Y761 HydrophobicContact CD1-CD2 4.38Å; L757-Y761 HydrophobicContact CD1-CE1 3.79Å; L757-Y761 HydrophobicContact CD1-CE2 4.03Å; L757-Y761 HydrophobicContact CD1-CG 4.46Å; L757-Y761 HydrophobicContact CD2-CE2 3.96Å; L757-Y761 HydrophobicContact CG-CD2 4.04Å; L757-Y761 HydrophobicContact CG-CE1 4.41Å; L757-Y761 HydrophobicContact CG-CE2 3.72Å; L757-Y761 WeakPolarHBondContact O-CB 3.41Å; L757-Y761 PolarHBondContact O-N 2.91Å; L757-L774 HydrophobicContact CB-CD1 3.9Å; L757-L774 HydrophobicContact CD2-CD1 3.65Å; L757-L774 HydrophobicContact CG-CD1 3.55Å
758A97.7Very high96.4Very high0 Ų042.9 Ų42.90%024%0.235CC..Hα-helixtrans-60.6-42.8174.700000111.6L754 F755 Y761 R762 A771 L774 L791L754-A758 VanDerWaalsContact O-CB 3.31Å; L754-A758 WeakPolarHBondContact O-CB 3.45Å; L754-A758 PolarHBondContact O-N 2.83Å; F755-A758 PolarHBondContact O-N 2.73Å; A758-Y761 PolarHBondContact O-N 3.37Å; A758-R762 PolarHBondContact O-N 3.44Å; A758-A771 HydrophobicContact CB-CB 4.39Å; A758-A771 WeakPolarHBondContact O-CB 3.31Å; A758-L774 HydrophobicContact CB-CB 4.01Å; A758-L774 HydrophobicContact CB-CD1 4.39Å; A758-L791 HydrophobicContact CB-CD2 3.65Å
759L97.4Very high96.4Very high53 Ų5343.5 Ų43.528%0.27723%0.233SC..Hα-helixtrans-62.1-43.1173.7-72178.8000112.5F755 N756 L757 R762 N763 L791F755-L759 HydrophobicContact CD1-CD1 4Å; F755-L759 HydrophobicContact CE1-CD1 3.45Å; F755-L759 VanDerWaalsContact CE1-CD1 3.45Å; F755-L759 HydrophobicContact CE1-CG 4.14Å; F755-L759 HydrophobicContact CE2-CG 4.42Å; F755-L759 HydrophobicContact CZ-CD1 3.76Å; F755-L759 HydrophobicContact CZ-CD2 4.22Å; F755-L759 HydrophobicContact CZ-CG 4.05Å; F755-L759 PolarHBondContact O-N 3.31Å; N756-L759 PolarHBondContact O-N 3.44Å; L757-L759 VanDerWaalsContact C-N 3.33Å; L757-L759 PolarHBondContact O-N 3.43Å; L759-R762 PolarHBondContact O-N 2.91Å; L759-N763 WeakPolarHBondContact O-CB 3.4Å; L759-N763 PolarHBondContact O-N 3.37Å; L759-L791 HydrophobicContact CD2-CD1 3.97Å; L759-L791 HydrophobicContact CD2-CD2 4.14Å
760L97.2Very high96.4Very high5 Ų543.5 Ų43.53%0.02623%0.233CC..Hα-helixtrans-62.7-43.4176-74.1-174.6000112.1T728 Y733 A736 Y740 N756 L757 H764 L765T728-L760 HydrophobicContact CG2-CD2 4.12Å; Y733-L760 HydrophobicContact CD1-CD2 3.49Å; Y733-L760 VanDerWaalsContact CD1-CD2 3.49Å; Y733-L760 HydrophobicContact CE1-CD2 4.19Å; Y733-L760 HydrophobicContact CG-CD2 4.22Å; A736-L760 HydrophobicContact CB-CD1 3.67Å; Y740-L760 HydrophobicContact CD2-CD1 3.87Å; Y740-L760 HydrophobicContact CE2-CD1 3.75Å; N756-L760 WeakPolarHBondContact O-CG 3.44Å; N756-L760 PolarHBondContact O-N 2.93Å; L757-L760 PolarHBondContact O-N 3.47Å; L760-H764 PolarHBondContact O-N 2.82Å; L760-L765 HydrophobicContact CB-CD1 4.41Å; L760-L765 PolarHBondContact O-N 2.94Å
761Y97.7Very high96.4Very high21 Ų2141.9 Ų41.98%0.08223%0.225CC..Hα-helixtrans-62.6-43.6178.1-78.4-20000112.6Q741 L757 A758 L765 G766 K767 D770 L774Q741-Y761 PolarHBondContact NE2-OH 2.97Å; L757-Y761 HydrophobicContact CD1-CD1 4.19Å; L757-Y761 HydrophobicContact CD1-CD2 4.38Å; L757-Y761 HydrophobicContact CD1-CE1 3.79Å; L757-Y761 HydrophobicContact CD1-CE2 4.03Å; L757-Y761 HydrophobicContact CD1-CG 4.46Å; L757-Y761 HydrophobicContact CD2-CE2 3.96Å; L757-Y761 HydrophobicContact CG-CD2 4.04Å; L757-Y761 HydrophobicContact CG-CE1 4.41Å; L757-Y761 HydrophobicContact CG-CE2 3.72Å; L757-Y761 WeakPolarHBondContact O-CB 3.41Å; L757-Y761 PolarHBondContact O-N 2.91Å; A758-Y761 PolarHBondContact O-N 3.37Å; Y761-L765 HydrophobicContact CD1-CB 4.19Å; Y761-L765 HydrophobicContact CD1-CD1 3.64Å; Y761-L765 HydrophobicContact CE1-CD1 3.91Å; Y761-G766 PolarHBondContact O-N 3.11Å; Y761-K767 HydrophobicContact CD1-CB 4.28Å; Y761-K767 HydrophobicContact CD1-CD 4.01Å; Y761-K767 HydrophobicContact CE1-CD 4.1Å; Y761-K767 HydrophobicContact CG-CB 4.23Å; Y761-K767 PolarHBondContact O-N 3.13Å; Y761-D770 HydrophobicContact CD2-CB 3.46Å; Y761-D770 VanDerWaalsContact CD2-CB 3.46Å; Y761-D770 HydrophobicContact CE2-CB 3.65Å; Y761-D770 HydrophobicContact CG-CB 4.14Å; Y761-L774 HydrophobicContact CD2-CD1 3.63Å; Y761-L774 HydrophobicContact CE2-CD1 3.63Å
762R95.7Very high96.4Very high56 Ų5640.2 Ų40.221%0.21122%0.217CC..Hα-helixtrans-68.1-55.5176.5-175-174.8172.3-147.9-9.1111.8A758 L759 A771 D794 I795 E799A758-R762 PolarHBondContact O-N 3.44Å; L759-R762 PolarHBondContact O-N 2.91Å; R762-A771 HydrophobicContact CB-CB 3.98Å; R762-D794 IonicContact CZ-OD2 2.64Å; R762-D794 IonicContact NH1-OD2 3.8Å; R762-D794 PolarHBondContact NH1-OD2 3.14Å; R762-D794 IonicContact NH2-OD2 3.91Å; R762-I795 HydrophobicContact CG-CG1 4.29Å; R762-E799 IonicContact NE-OE1 3.97Å; R762-E799 PolarHBondContact NE-OE1 3.48Å
763N94.8Very high96.5Very high89 Ų8943.4 Ų43.448%0.47623%0.229SC..Hα-helixtrans-87.2-25.6-163.4-63.2-11.8000114.3L759L759-N763 WeakPolarHBondContact O-CB 3.4Å; L759-N763 PolarHBondContact O-N 3.37Å
764H95.5Very high96.5Very high92 Ų9244.7 Ų44.743%0.42624%0.236SC..THydrogen-bonded Turntrans-130.2-26-168.2-62-51.5000115.1Y733 L760Y733-H764 HydrophobicContact CD1-CB 4.25Å; Y733-H764 AromaticContact CD1-CD2 3.83Å; Y733-H764 HydrophobicContact CD2-CB 3.62Å; Y733-H764 AromaticContact CD2-CG 3.82Å; Y733-H764 AromaticContact CE1-CD2 3.54Å; Y733-H764 AromaticContact CE1-CG 3.9Å; Y733-H764 AromaticContact CE1-NE2 3.82Å; Y733-H764 HydrophobicContact CE2-CB 3.94Å; Y733-H764 AromaticContact CE2-CG 3.63Å; Y733-H764 AromaticContact CE2-ND1 3.68Å; Y733-H764 HydrophobicContact CG-CB 3.77Å; Y733-H764 AromaticContact CZ-CD2 3.69Å; Y733-H764 AromaticContact CZ-CE1 3.74Å; Y733-H764 AromaticContact CZ-CG 3.66Å; Y733-H764 AromaticContact CZ-ND1 3.7Å; Y733-H764 AromaticContact CZ-NE2 3.75Å; L760-H764 PolarHBondContact O-N 2.82Å
765L94.6Very high96.4Very high48 Ų4844.7 Ų44.725%0.25124%0.235SC..SBendtrans-107-3.5-177-60.3173.5000113.7I734 L760 Y761 K767I734-L765 HydrophobicContact CG1-CD2 4.15Å; L760-L765 HydrophobicContact CB-CD1 4.41Å; L760-L765 PolarHBondContact O-N 2.94Å; Y761-L765 HydrophobicContact CD1-CB 4.19Å; Y761-L765 HydrophobicContact CD1-CD1 3.64Å; Y761-L765 HydrophobicContact CE1-CD1 3.91Å; L765-K767 PolarHBondContact O-N 2.97Å
766G92.7Very high96.4Very high62 Ų6245.7 Ų45.764%0.63924%0.242SC*.  trans66.334.4174.700000114Y761 P768Y761-G766 PolarHBondContact O-N 3.11Å; G766-P768 VanDerWaalsContact C-CD 3.41Å; G766-P768 WeakPolarHBondContact O-CD 3.23Å
767K95.1Very high96.4Very high96 Ų9647.2 Ų47.242%0.41725%0.247SC..  trans-122.165-177.1-63.3179173.6-158.90111.5Y761 L765 D769 D770 A771Y761-K767 HydrophobicContact CD1-CB 4.28Å; Y761-K767 HydrophobicContact CD1-CD 4.01Å; Y761-K767 HydrophobicContact CE1-CD 4.1Å; Y761-K767 HydrophobicContact CG-CB 4.23Å; Y761-K767 PolarHBondContact O-N 3.13Å; L765-K767 PolarHBondContact O-N 2.97Å; K767-D769 VanDerWaalsContact C-N 3.29Å; K767-D769 PolarHBondContact O-N 2.97Å; K767-D770 HydrophobicContact CB-CB 4.08Å; K767-D770 WeakPolarHBondContact CD-OD2 3.39Å; K767-D770 PolarHBondContact O-N 3.36Å; K767-A771 PolarHBondContact O-N 2.73Å
768P94.7Very high96.3Very high32 Ų3247 Ų4721%0.20825%0.247CC..Hα-helixtrans-63.5-32-175.526-34.7000113.2G766 A771 R772 I795 E799G766-P768 VanDerWaalsContact C-CD 3.41Å; G766-P768 WeakPolarHBondContact O-CD 3.23Å; P768-A771 WeakPolarHBondContact O-CB 3.5Å; P768-A771 PolarHBondContact O-N 2.92Å; P768-R772 VanDerWaalsContact O-CB 3.32Å; P768-R772 WeakPolarHBondContact O-CB 3.36Å; P768-R772 PolarHBondContact O-N 3.01Å; P768-I795 HydrophobicContact CB-CG2 4.49Å; P768-E799 HydrophobicContact CB-CB 4.2Å; P768-E799 HydrophobicContact CB-CG 3.94Å; P768-E799 HydrophobicContact CG-CB 4.49Å; P768-E799 HydrophobicContact CG-CG 4.3Å
769D95.9Very high96.3Very high75 Ų7548 Ų4840%0.40125%0.252SS..Hα-helixtrans-66.1-41.7176-76.7-49.5000112.6K767 R772 N773 K800K767-D769 VanDerWaalsContact C-N 3.29Å; K767-D769 PolarHBondContact O-N 2.97Å; D769-R772 WeakPolarHBondContact O-CB 3.19Å; D769-R772 PolarHBondContact O-N 2.85Å; D769-N773 PolarHBondContact O-N 3.24Å; D769-N773 PolarHBondContact O-ND2 3.44Å; D769-K800 WeakPolarHBondContact OD1-CE 3.18Å; D769-K800 IonicContact OD1-NZ 2.87Å; D769-K800 PolarHBondContact OD1-NZ 3Å; D769-K800 IonicContact OD2-NZ 2.79Å; D769-K800 PolarHBondContact OD2-NZ 3.25Å
770D96.3Very high96.3Very high65 Ų6554.1 Ų54.135%0.34828%0.276SS..Hα-helixtrans-66.9-40.6175-66.7-26.7000110.8Y761 K767 R772 N773 L774Y761-D770 HydrophobicContact CD2-CB 3.46Å; Y761-D770 VanDerWaalsContact CD2-CB 3.46Å; Y761-D770 HydrophobicContact CE2-CB 3.65Å; Y761-D770 HydrophobicContact CG-CB 4.14Å; K767-D770 HydrophobicContact CB-CB 4.08Å; K767-D770 WeakPolarHBondContact CD-OD2 3.39Å; K767-D770 PolarHBondContact O-N 3.36Å; D770-R772 VanDerWaalsContact C-N 3.33Å; D770-R772 PolarHBondContact O-N 3.33Å; D770-N773 PolarHBondContact O-N 3.33Å; D770-L774 WeakPolarHBondContact O-CG 3.5Å; D770-L774 PolarHBondContact O-N 2.92Å
771A96.7Very high96.2Very high0 Ų056.2 Ų56.20%029%0.289CS..Hα-helixtrans-59.1-45.1174.500000111.9A758 R762 K767 P768 L774 A775 I795A758-A771 HydrophobicContact CB-CB 4.39Å; A758-A771 WeakPolarHBondContact O-CB 3.31Å; R762-A771 HydrophobicContact CB-CB 3.98Å; K767-A771 PolarHBondContact O-N 2.73Å; P768-A771 WeakPolarHBondContact O-CB 3.5Å; P768-A771 PolarHBondContact O-N 2.92Å; A771-L774 PolarHBondContact O-N 2.73Å; A771-A775 WeakPolarHBondContact O-CB 3.48Å; A771-A775 PolarHBondContact O-N 3.38Å; A771-I795 HydrophobicContact CB-CD1 3.89Å
772R97.4Very high96.1Very high61 Ų6158 Ų5823%0.2330%0.298CS..Hα-helixtrans-60.2-47.9176.6-175.8-175.3-178.5-85.3-4.7111.6P768 D769 D770 L774 A775 L776 L792 I795 E796P768-R772 VanDerWaalsContact O-CB 3.32Å; P768-R772 WeakPolarHBondContact O-CB 3.36Å; P768-R772 PolarHBondContact O-N 3.01Å; D769-R772 WeakPolarHBondContact O-CB 3.19Å; D769-R772 PolarHBondContact O-N 2.85Å; D770-R772 VanDerWaalsContact C-N 3.33Å; D770-R772 PolarHBondContact O-N 3.33Å; R772-L774 VanDerWaalsContact C-N 3.34Å; R772-L774 PolarHBondContact O-N 2.74Å; R772-A775 PolarHBondContact O-N 3.47Å; R772-L776 HydrophobicContact CG-CD1 4.22Å; R772-L776 HydrophobicContact CG-CG 4.49Å; R772-L776 VanDerWaalsContact NH1-CD1 3.32Å; R772-L776 WeakPolarHBondContact O-CB 3.26Å; R772-L776 WeakPolarHBondContact O-CG 3.27Å; R772-L776 PolarHBondContact O-N 2.71Å; R772-L792 HydrophobicContact CG-CD2 3.89Å; R772-I795 HydrophobicContact CB-CD1 4.41Å; R772-I795 HydrophobicContact CB-CG2 4.18Å; R772-E796 IonicContact CZ-OE1 2.71Å; R772-E796 IonicContact NE-OE1 3.37Å; R772-E796 PolarHBondContact NE-OE1 2.99Å; R772-E796 IonicContact NH2-OE1 2.65Å; R772-E796 PolarHBondContact NH2-OE1 3.32Å
773N97.3Very high96.1Very high89 Ų8959 Ų5948%0.47631%0.312SS..Hα-helixtrans-61.5-42.4-179.7-70.2-24.2000111.7D769 D770 L776 H777D769-N773 PolarHBondContact O-N 3.24Å; D769-N773 PolarHBondContact O-ND2 3.44Å; D770-N773 PolarHBondContact O-N 3.33Å; N773-L776 PolarHBondContact O-N 2.99Å; N773-H777 PolarHBondContact O-N 3.49Å
774L97.4Very high96Very high27 Ų2758.8 Ų58.814%0.14132%0.317CS..Hα-helixtrans-64.8-42.3174.9-69176.3000112.4I744 L754 L757 A758 Y761 D770 A771 R772 H777 L778I744-L774 HydrophobicContact CD1-CD2 4.35Å; L754-L774 HydrophobicContact CD2-CD2 3.76Å; L757-L774 HydrophobicContact CB-CD1 3.9Å; L757-L774 HydrophobicContact CD2-CD1 3.65Å; L757-L774 HydrophobicContact CG-CD1 3.55Å; A758-L774 HydrophobicContact CB-CB 4.01Å; A758-L774 HydrophobicContact CB-CD1 4.39Å; Y761-L774 HydrophobicContact CD2-CD1 3.63Å; Y761-L774 HydrophobicContact CE2-CD1 3.63Å; D770-L774 WeakPolarHBondContact O-CG 3.5Å; D770-L774 PolarHBondContact O-N 2.92Å; A771-L774 PolarHBondContact O-N 2.73Å; R772-L774 VanDerWaalsContact C-N 3.34Å; R772-L774 PolarHBondContact O-N 2.74Å; L774-H777 PolarHBondContact O-N 3.22Å; L774-L778 WeakPolarHBondContact O-CB 3.15Å; L774-L778 PolarHBondContact O-N 2.78Å
775A97.4Very high96.1Very high0 Ų055.4 Ų55.40%030%0.301CS..Hα-helixtrans-68.7-36.317900000112.3A771 R772 L778 I779 L791 L792A771-A775 WeakPolarHBondContact O-CB 3.48Å; A771-A775 PolarHBondContact O-N 3.38Å; R772-A775 PolarHBondContact O-N 3.47Å; A775-L778 PolarHBondContact O-N 2.91Å; A775-I779 PolarHBondContact O-N 3.33Å; A775-L791 HydrophobicContact CB-CD2 4.29Å; A775-L792 HydrophobicContact CB-CD1 4.23Å; A775-L792 HydrophobicContact CB-CD2 3.71Å; A775-L792 HydrophobicContact CB-CG 3.67Å
776L97.9Very high96.1Very high48 Ų4855.1 Ų55.125%0.25130%0.3SS..Hα-helixtrans-63.1-44.2171.2-78.5176.7000112.1R772 N773 L778 I779 K780 L792 Y809R772-L776 HydrophobicContact CG-CD1 4.22Å; R772-L776 HydrophobicContact CG-CG 4.49Å; R772-L776 VanDerWaalsContact NH1-CD1 3.32Å; R772-L776 WeakPolarHBondContact O-CB 3.26Å; R772-L776 WeakPolarHBondContact O-CG 3.27Å; R772-L776 PolarHBondContact O-N 2.71Å; N773-L776 PolarHBondContact O-N 2.99Å; L776-L778 VanDerWaalsContact C-N 3.3Å; L776-L778 PolarHBondContact O-N 3.33Å; L776-I779 HydrophobicContact CD2-CD1 4.19Å; L776-I779 VanDerWaalsContact O-CG1 3.26Å; L776-I779 WeakPolarHBondContact O-CG1 3.34Å; L776-K780 WeakPolarHBondContact O-CB 3.36Å; L776-K780 PolarHBondContact O-N 2.71Å; L776-L792 HydrophobicContact CD2-CD1 4.04Å; L776-L792 HydrophobicContact CD2-CD2 4.13Å; L776-L792 HydrophobicContact CG-CD1 4.47Å; L776-L792 HydrophobicContact CG-CD2 3.89Å; L776-Y809 WeakPolarHBondContact CD2-OH 3.47Å
777H97.2Very high96.3Very high69 Ų6958.3 Ų58.332%0.31930%0.296SS..Hα-helixtrans-57.5-49.3171.7-170.8139.8000109.4S748 D749 N773 L774 I779 K780 V781S748-H777 PolarHBondContact O-NE2 3.27Å; D749-H777 IonicContact OD1-CD2 3.41Å; D749-H777 IonicContact OD1-CE1 3.15Å; D749-H777 IonicContact OD1-NE2 2.74Å; D749-H777 PolarHBondContact OD1-NE2 3.34Å; N773-H777 PolarHBondContact O-N 3.49Å; L774-H777 PolarHBondContact O-N 3.22Å; H777-I779 PolarHBondContact O-N 3.44Å; H777-K780 WeakPolarHBondContact O-CA 3.1Å; H777-K780 VanDerWaalsContact O-CB 3.29Å; H777-K780 WeakPolarHBondContact O-CB 3.26Å; H777-K780 PolarHBondContact O-N 3.46Å; H777-V781 WeakPolarHBondContact O-CG2 3.32Å; H777-V781 PolarHBondContact O-N 2.88Å; H777-V781 VanDerWaalsContact O-N 3.12Å
778L96.6Very high96.4Very high0 Ų053.7 Ų53.70%028%0.276CS..Hα-helixtrans-60.1-42.4-175.7-175.451.4000113.3K751 L754 F755 L774 A775 L776 K780 V781 H782 S788K751-L778 HydrophobicContact CB-CD1 4.39Å; K751-L778 HydrophobicContact CG-CD1 4.19Å; L754-L778 HydrophobicContact CB-CB 4.31Å; L754-L778 HydrophobicContact CB-CD1 4.21Å; L754-L778 HydrophobicContact CB-CD2 4.07Å; L754-L778 HydrophobicContact CB-CG 4.45Å; L754-L778 HydrophobicContact CD1-CB 4.31Å; L754-L778 HydrophobicContact CD1-CD1 3.95Å; F755-L778 HydrophobicContact CB-CD2 3.64Å; F755-L778 HydrophobicContact CD2-CD2 4.25Å; F755-L778 HydrophobicContact CG-CD2 4.39Å; L774-L778 WeakPolarHBondContact O-CB 3.15Å; L774-L778 PolarHBondContact O-N 2.78Å; A775-L778 PolarHBondContact O-N 2.91Å; L776-L778 VanDerWaalsContact C-N 3.3Å; L776-L778 PolarHBondContact O-N 3.33Å; L778-K780 VanDerWaalsContact C-N 3.32Å; L778-V781 HydrophobicContact CD1-CG2 4.46Å; L778-V781 WeakPolarHBondContact O-CG2 3.48Å; L778-V781 PolarHBondContact O-N 2.85Å; L778-H782 HydrophobicContact CD1-CB 4.15Å; L778-H782 WeakPolarHBondContact O-CA 3.08Å; L778-H782 WeakPolarHBondContact O-CB 3.34Å; L778-H782 PolarHBondContact O-N 3.42Å; L778-S788 WeakPolarHBondContact CD2-OG 3.34Å; L778-S788 WeakPolarHBondContact CG-OG 3.48Å
779I96.8Very high96.5Very high21 Ų2153.5 Ų53.511%0.10827%0.271CS..Hα-helixtrans-71.2-27.4175.361.4169.7000112.9A775 L776 H777 V781 H782 P783 Y789 L792 Y809A775-I779 PolarHBondContact O-N 3.33Å; L776-I779 HydrophobicContact CD2-CD1 4.19Å; L776-I779 VanDerWaalsContact O-CG1 3.26Å; L776-I779 WeakPolarHBondContact O-CG1 3.34Å; H777-I779 PolarHBondContact O-N 3.44Å; I779-V781 VanDerWaalsContact C-N 3.35Å; I779-H782 CarbonylContact O-C 3.59Å; I779-P783 WeakPolarHBondContact O-CA 3.48Å; I779-Y789 HydrophobicContact CB-CE1 4.49Å; I779-Y789 HydrophobicContact CB-CE2 4.27Å; I779-Y789 HydrophobicContact CD1-CE1 4.07Å; I779-Y789 HydrophobicContact CG2-CD1 4.45Å; I779-Y789 HydrophobicContact CG2-CD2 4Å; I779-Y789 HydrophobicContact CG2-CE1 4.23Å; I779-Y789 HydrophobicContact CG2-CE2 3.74Å; I779-Y789 HydrophobicContact CG2-CG 4.35Å; I779-L792 HydrophobicContact CD1-CD1 3.61Å; I779-L792 HydrophobicContact CG1-CD1 4.21Å; I779-L792 HydrophobicContact CG2-CD1 4.25Å; I779-Y809 HydrophobicContact CD1-CE1 4.34Å
780K96.7Very high96.6Very high181 Ų18151 Ų5179%0.78726%0.258SS*.Hα-helixtrans-65.9-39.8175.8-176.7-173.9176.3-173.20111.1L776 H777 L778L776-K780 WeakPolarHBondContact O-CB 3.36Å; L776-K780 PolarHBondContact O-N 2.71Å; H777-K780 WeakPolarHBondContact O-CA 3.1Å; H777-K780 VanDerWaalsContact O-CB 3.29Å; H777-K780 WeakPolarHBondContact O-CB 3.26Å; H777-K780 PolarHBondContact O-N 3.46Å; L778-K780 VanDerWaalsContact C-N 3.32Å
781V95.7Very high96.6Very high48 Ų4848.1 Ų48.129%0.29124%0.242SC..Hα-helixtrans-92-30.6-179.1-63.40000113.4D749 H777 L778 I779D749-V781 HydrophobicContact CB-CB 4.45Å; D749-V781 HydrophobicContact CB-CG1 4.42Å; D749-V781 HydrophobicContact CB-CG2 4.37Å; H777-V781 WeakPolarHBondContact O-CG2 3.32Å; H777-V781 PolarHBondContact O-N 2.88Å; H777-V781 VanDerWaalsContact O-N 3.12Å; L778-V781 HydrophobicContact CD1-CG2 4.46Å; L778-V781 WeakPolarHBondContact O-CG2 3.48Å; L778-V781 PolarHBondContact O-N 2.85Å; I779-V781 VanDerWaalsContact C-N 3.35Å
782H95.4Very high96.6Very high58 Ų5848.1 Ų48.127%0.26924%0.242SC..  trans-126.673.7-179.8-64.8-76.1000109.8D749 L778 I779 S784 H785D749-H782 PolarHBondContact O-NE2 2.9Å; D749-H782 VanDerWaalsContact O-NE2 3.07Å; L778-H782 HydrophobicContact CD1-CB 4.15Å; L778-H782 WeakPolarHBondContact O-CA 3.08Å; L778-H782 WeakPolarHBondContact O-CB 3.34Å; L778-H782 PolarHBondContact O-N 3.42Å; I779-H782 CarbonylContact O-C 3.59Å; H782-S784 PolarHBondContact O-N 3.4Å; H782-S784 VanDerWaalsContact O-N 3.11Å; H782-H785 HydrophobicContact CB-CB 4.18Å; H782-H785 WeakPolarHBondContact O-CB 3.32Å; H782-H785 PolarHBondContact O-N 2.94Å
783P95.8Very high96.6Very high78 Ų7845.2 Ų45.251%0.50623%0.231SC..THydrogen-bonded Turntrans-66-15.6-171.625.4-35.2000114.7I779 H785 Y789 L816I779-P783 WeakPolarHBondContact O-CA 3.48Å; P783-H785 VanDerWaalsContact C-N 3.3Å; P783-Y789 WeakPolarHBondContact O-CE2 3.48Å; P783-Y789 PolarHBondContact O-OH 3.14Å; P783-L816 WeakPolarHBondContact O-CD1 3.48Å
784S94Very high96.6Very high85 Ų8542.7 Ų42.759%0.59422%0.218SC*.THydrogen-bonded Turntrans-86.44.8173.558.30000113.7H782 I786H782-S784 PolarHBondContact O-N 3.4Å; H782-S784 VanDerWaalsContact O-N 3.11Å; S784-I786 PolarHBondContact O-N 3.42Å
785H95.8Very high96.5Very high20 Ų2041.4 Ų41.49%0.09321%0.211CC..  trans-80.782-174.5-166.4-116.6000113.3K751 F755 H782 P783 K787 S788 Y789K751-H785 WeakPolarHBondContact CE-CD2 3.48Å; F755-H785 AromaticContact CD2-CE1 3.58Å; F755-H785 AromaticContact CG-CE1 3.74Å; H782-H785 HydrophobicContact CB-CB 4.18Å; H782-H785 WeakPolarHBondContact O-CB 3.32Å; H782-H785 PolarHBondContact O-N 2.94Å; P783-H785 VanDerWaalsContact C-N 3.3Å; H785-K787 VanDerWaalsContact C-N 3.29Å; H785-K787 PolarHBondContact O-N 3.46Å; H785-K787 VanDerWaalsContact O-N 3.16Å; H785-S788 PolarHBondContact ND1-N 3.28Å; H785-S788 PolarHBondContact ND1-OG 2.9Å; H785-S788 WeakPolarHBondContact O-CB 3.48Å; H785-S788 PolarHBondContact O-N 2.92Å; H785-Y789 WeakPolarHBondContact O-CD2 3.45Å
786I96.1Very high96.4Very high42 Ų4241.6 Ų41.622%0.21521%0.212CC..Hα-helixtrans-49.1-44.3-177.1-61159000113.1S784 S788 Y789 L790 A813 L816 D817S784-I786 PolarHBondContact O-N 3.42Å; I786-S788 PolarHBondContact O-N 2.99Å; I786-Y789 WeakPolarHBondContact O-CB 3.27Å; I786-Y789 PolarHBondContact O-N 3.16Å; I786-Y789 VanDerWaalsContact O-N 3.08Å; I786-L790 PolarHBondContact O-N 2.92Å; I786-L790 VanDerWaalsContact O-N 3.16Å; I786-A813 HydrophobicContact CG2-CB 4.14Å; I786-L816 HydrophobicContact CD1-CB 4.33Å; I786-L816 HydrophobicContact CG1-CB 3.79Å; I786-L816 HydrophobicContact CG1-CD1 4.12Å; I786-D817 HydrophobicContact CD1-CB 3.57Å; I786-D817 HydrophobicContact CG1-CB 4.46Å
787K96.3Very high96.3Very high129 Ų12940.2 Ų40.256%0.56121%0.205SC*.Hα-helixtrans-61.9-28.4-177.7-64.2-175179.1-179.10113.4F755 H785 L791F755-K787 HydrophobicContact CD2-CB 4.48Å; F755-K787 HydrophobicContact CE1-CB 4.21Å; F755-K787 HydrophobicContact CE1-CD 3.9Å; F755-K787 HydrophobicContact CE2-CB 3.65Å; F755-K787 HydrophobicContact CZ-CB 3.5Å; F755-K787 VanDerWaalsContact CZ-CB 3.5Å; F755-K787 HydrophobicContact CZ-CD 3.95Å; F755-K787 HydrophobicContact CZ-CG 4.32Å; H785-K787 VanDerWaalsContact C-N 3.29Å; H785-K787 PolarHBondContact O-N 3.46Å; H785-K787 VanDerWaalsContact O-N 3.16Å; K787-L791 WeakPolarHBondContact O-CB 3.42Å; K787-L791 PolarHBondContact O-N 3.47Å
788S96.3Very high96.1Very high0 Ų041.4 Ų41.40%022%0.217CC..Hα-helixtrans-71.6-37.7175-740000112.5L778 H785 I786 L790 L791 L792L778-S788 WeakPolarHBondContact CD2-OG 3.34Å; L778-S788 WeakPolarHBondContact CG-OG 3.48Å; H785-S788 PolarHBondContact ND1-N 3.28Å; H785-S788 PolarHBondContact ND1-OG 2.9Å; H785-S788 WeakPolarHBondContact O-CB 3.48Å; H785-S788 PolarHBondContact O-N 2.92Å; I786-S788 PolarHBondContact O-N 2.99Å; S788-L790 VanDerWaalsContact C-N 3.33Å; S788-L791 PolarHBondContact O-N 2.92Å; S788-L792 WeakPolarHBondContact O-CB 3.5Å; S788-L792 WeakPolarHBondContact O-CG 3.45Å; S788-L792 PolarHBondContact O-N 3.39Å
789Y97.8Very high95.9Very high27 Ų2745 Ų4511%0.10623%0.234CC..Hα-helixtrans-63.5-42175-71-81.9000111.2I779 P783 H785 I786 L792 G793 Y809 E812 L816I779-Y789 HydrophobicContact CB-CE1 4.49Å; I779-Y789 HydrophobicContact CB-CE2 4.27Å; I779-Y789 HydrophobicContact CD1-CE1 4.07Å; I779-Y789 HydrophobicContact CG2-CD1 4.45Å; I779-Y789 HydrophobicContact CG2-CD2 4Å; I779-Y789 HydrophobicContact CG2-CE1 4.23Å; I779-Y789 HydrophobicContact CG2-CE2 3.74Å; I779-Y789 HydrophobicContact CG2-CG 4.35Å; P783-Y789 WeakPolarHBondContact O-CE2 3.48Å; P783-Y789 PolarHBondContact O-OH 3.14Å; H785-Y789 WeakPolarHBondContact O-CD2 3.45Å; I786-Y789 WeakPolarHBondContact O-CB 3.27Å; I786-Y789 PolarHBondContact O-N 3.16Å; I786-Y789 VanDerWaalsContact O-N 3.08Å; Y789-L792 PolarHBondContact O-N 3.03Å; Y789-G793 PolarHBondContact O-N 3.42Å; Y789-Y809 AromaticContact CD1-CD1 3.96Å; Y789-Y809 HydrophobicContact CD1-CD1 3.96Å; Y789-Y809 HydrophobicContact CE1-CD1 4.46Å; Y789-E812 HydrophobicContact CD1-CB 3.71Å; Y789-E812 HydrophobicContact CE1-CB 3.74Å; Y789-E812 HydrophobicContact CE1-CG 4.27Å; Y789-E812 HydrophobicContact CG-CB 4.41Å; Y789-L816 HydrophobicContact CD2-CD1 3.94Å; Y789-L816 HydrophobicContact CE2-CD1 3.65Å
790L97.3Very high95.6Very high22 Ų2248.2 Ų48.212%0.11525%0.247CC..Hα-helixtrans-58.5-48.9172.3-67.1177.7000111.7I786 S788 L792 G793 D794 F810 A813 Q822 A823I786-L790 PolarHBondContact O-N 2.92Å; I786-L790 VanDerWaalsContact O-N 3.16Å; S788-L790 VanDerWaalsContact C-N 3.33Å; L790-L792 PolarHBondContact O-N 2.91Å; L790-G793 PolarHBondContact O-N 2.9Å; L790-D794 WeakPolarHBondContact O-CB 3.38Å; L790-D794 VanDerWaalsContact O-CG 3.26Å; L790-D794 PolarHBondContact O-N 3.41Å; L790-F810 HydrophobicContact CD2-CD1 4.12Å; L790-F810 HydrophobicContact CD2-CE1 4.45Å; L790-A813 HydrophobicContact CD2-CB 4.29Å; L790-Q822 HydrophobicContact CD1-CB 4.35Å; L790-Q822 HydrophobicContact CD1-CG 4.2Å; L790-Q822 HydrophobicContact CD2-CG 4.48Å; L790-A823 VanDerWaalsContact CD2-CA 3.43Å; L790-A823 HydrophobicContact CD2-CB 3.59Å
791L96.6Very high95.3Very high5 Ų543.2 Ų43.23%0.02624%0.24CC..Hα-helixtrans-62-41.9179.2-178.759.1000112.4F755 A758 L759 A775 K787 S788 I795F755-L791 HydrophobicContact CD2-CD2 4.41Å; F755-L791 HydrophobicContact CE2-CB 4.44Å; F755-L791 HydrophobicContact CE2-CD2 4.12Å; A758-L791 HydrophobicContact CB-CD2 3.65Å; L759-L791 HydrophobicContact CD2-CD1 3.97Å; L759-L791 HydrophobicContact CD2-CD2 4.14Å; A775-L791 HydrophobicContact CB-CD2 4.29Å; K787-L791 WeakPolarHBondContact O-CB 3.42Å; K787-L791 PolarHBondContact O-N 3.47Å; S788-L791 PolarHBondContact O-N 2.92Å; L791-I795 HydrophobicContact CD1-CD1 4.08Å; L791-I795 HydrophobicContact CD1-CG1 4.43Å; L791-I795 HydrophobicContact CG-CD1 4Å; L791-I795 WeakPolarHBondContact O-CD1 3.29Å; L791-I795 WeakPolarHBondContact O-CG1 3.31Å; L791-I795 PolarHBondContact O-N 3.3Å
792L97.8Very high95.3Very high0 Ų044 Ų440%024%0.242CC..Hα-helixtrans-66.8-44.8176.7-76.3168000111.9R772 A775 L776 I779 S788 Y789 L790 D794 I795 E796 Y809R772-L792 HydrophobicContact CG-CD2 3.89Å; A775-L792 HydrophobicContact CB-CD1 4.23Å; A775-L792 HydrophobicContact CB-CD2 3.71Å; A775-L792 HydrophobicContact CB-CG 3.67Å; L776-L792 HydrophobicContact CD2-CD1 4.04Å; L776-L792 HydrophobicContact CD2-CD2 4.13Å; L776-L792 HydrophobicContact CG-CD1 4.47Å; L776-L792 HydrophobicContact CG-CD2 3.89Å; I779-L792 HydrophobicContact CD1-CD1 3.61Å; I779-L792 HydrophobicContact CG1-CD1 4.21Å; I779-L792 HydrophobicContact CG2-CD1 4.25Å; S788-L792 WeakPolarHBondContact O-CB 3.5Å; S788-L792 WeakPolarHBondContact O-CG 3.45Å; S788-L792 PolarHBondContact O-N 3.39Å; Y789-L792 PolarHBondContact O-N 3.03Å; L790-L792 PolarHBondContact O-N 2.91Å; L792-D794 VanDerWaalsContact C-N 3.3Å; L792-D794 PolarHBondContact O-N 3.15Å; L792-I795 PolarHBondContact O-N 2.82Å; L792-E796 WeakPolarHBondContact O-CG 3.49Å; L792-E796 PolarHBondContact O-N 3.32Å; L792-Y809 HydrophobicContact CB-CD1 4.35Å; L792-Y809 HydrophobicContact CB-CD2 3.69Å; L792-Y809 HydrophobicContact CB-CE1 4.48Å; L792-Y809 HydrophobicContact CB-CE2 3.82Å; L792-Y809 HydrophobicContact CB-CG 3.97Å; L792-Y809 HydrophobicContact CD1-CD1 4.42Å; L792-Y809 HydrophobicContact CD1-CE1 4.1Å
793G96.6Very high95.2Very high0 Ų043.1 Ų43.10%024%0.239CC..Hα-helixtrans-59.1-44.3177.100000111.5Y789 L790 E796 L797 A806Y789-G793 PolarHBondContact O-N 3.42Å; L790-G793 PolarHBondContact O-N 2.9Å; G793-E796 PolarHBondContact O-N 3.18Å; G793-L797 WeakPolarHBondContact O-CB 3.41Å; G793-L797 PolarHBondContact O-N 3.25Å; G793-A806 VanDerWaalsContact O-CB 3.3Å; G793-A806 WeakPolarHBondContact O-CB 3.28Å
794D96.1Very high95.2Very high36 Ų3646.1 Ų46.119%0.19324%0.244CC..Hα-helixtrans-60.2-49.7174.3-71.9-1.9000111.5R762 L790 L792 E796 L797 T798 N826R762-D794 IonicContact CZ-OD2 2.64Å; R762-D794 IonicContact NH1-OD2 3.8Å; R762-D794 PolarHBondContact NH1-OD2 3.14Å; R762-D794 IonicContact NH2-OD2 3.91Å; L790-D794 WeakPolarHBondContact O-CB 3.38Å; L790-D794 VanDerWaalsContact O-CG 3.26Å; L790-D794 PolarHBondContact O-N 3.41Å; L792-D794 VanDerWaalsContact C-N 3.3Å; L792-D794 PolarHBondContact O-N 3.15Å; D794-E796 VanDerWaalsContact C-N 3.31Å; D794-E796 PolarHBondContact O-N 3.07Å; D794-L797 PolarHBondContact O-N 3.47Å; D794-L797 VanDerWaalsContact O-N 3.12Å; D794-T798 PolarHBondContact O-N 3.44Å; D794-T798 PolarHBondContact O-OG1 3.22Å; D794-N826 PolarHBondContact OD1-ND2 3.49Å
795I96Very high95.3Very high0 Ų043.8 Ų43.80%023%0.225CC..Hα-helixtrans-59.5-42.5-178.6-69.3165.1000111.7R762 P768 A771 R772 L791 L792 L797 E799 K800R762-I795 HydrophobicContact CG-CG1 4.29Å; P768-I795 HydrophobicContact CB-CG2 4.49Å; A771-I795 HydrophobicContact CB-CD1 3.89Å; R772-I795 HydrophobicContact CB-CD1 4.41Å; R772-I795 HydrophobicContact CB-CG2 4.18Å; L791-I795 HydrophobicContact CD1-CD1 4.08Å; L791-I795 HydrophobicContact CD1-CG1 4.43Å; L791-I795 HydrophobicContact CG-CD1 4Å; L791-I795 WeakPolarHBondContact O-CD1 3.29Å; L791-I795 WeakPolarHBondContact O-CG1 3.31Å; L791-I795 PolarHBondContact O-N 3.3Å; L792-I795 PolarHBondContact O-N 2.82Å; I795-L797 VanDerWaalsContact C-N 3.34Å; I795-E799 WeakPolarHBondContact CA-OE2 3.41Å; I795-E799 PolarHBondContact O-N 3.11Å; I795-E799 VanDerWaalsContact O-N 3.15Å; I795-K800 PolarHBondContact O-N 2.98Å
796E96.6Very high95.3Very high5 Ų542.9 Ų42.92%0.02322%0.22CC..Hα-helixtrans-67.4-36.7177.8-68.2-64.8171.200111.9R772 L792 G793 D794 K800 A801 N802 L805 A806 Y809R772-E796 IonicContact CZ-OE1 2.71Å; R772-E796 IonicContact NE-OE1 3.37Å; R772-E796 PolarHBondContact NE-OE1 2.99Å; R772-E796 IonicContact NH2-OE1 2.65Å; R772-E796 PolarHBondContact NH2-OE1 3.32Å; L792-E796 WeakPolarHBondContact O-CG 3.49Å; L792-E796 PolarHBondContact O-N 3.32Å; G793-E796 PolarHBondContact O-N 3.18Å; D794-E796 VanDerWaalsContact C-N 3.31Å; D794-E796 PolarHBondContact O-N 3.07Å; E796-K800 CarbonylContact O-C 3.19Å; E796-A801 CarbonylContact O-C 3.51Å; E796-A801 PolarHBondContact O-N 3.45Å; E796-N802 HydrophobicContact CB-CB 4.42Å; E796-N802 PolarHBondContact O-N 3.13Å; E796-N802 WeakPolarHBondContact OE2-CB 3.28Å; E796-L805 HydrophobicContact CG-CB 4.46Å; E796-L805 HydrophobicContact CG-CD2 4.04Å; E796-L805 HydrophobicContact CG-CG 4.13Å; E796-L805 WeakPolarHBondContact OE1-CD2 3.41Å; E796-A806 HydrophobicContact CB-CB 3.93Å; E796-Y809 HydrophobicContact CG-CD2 4.07Å; E796-Y809 HydrophobicContact CG-CE2 3.74Å
797L94.6Very high95.3Very high18 Ų1841.9 Ų41.99%0.09422%0.215CC..Hα-helixtrans-72.8-51.9-179.1-17164.1000111.6G793 D794 I795 I803 A806 F810 V829 A830 D833G793-L797 WeakPolarHBondContact O-CB 3.41Å; G793-L797 PolarHBondContact O-N 3.25Å; D794-L797 PolarHBondContact O-N 3.47Å; D794-L797 VanDerWaalsContact O-N 3.12Å; I795-L797 VanDerWaalsContact C-N 3.34Å; L797-I803 HydrophobicContact CD1-CB 4.42Å; L797-I803 HydrophobicContact CD1-CG1 4.02Å; L797-I803 HydrophobicContact CD1-CG2 4.26Å; L797-A806 HydrophobicContact CB-CB 3.82Å; L797-A806 HydrophobicContact CD1-CB 4.3Å; L797-F810 HydrophobicContact CD2-CE2 4.42Å; L797-V829 HydrophobicContact CD2-CG1 4.13Å; L797-A830 HydrophobicContact CD1-CB 3.93Å; L797-A830 HydrophobicContact CD2-CB 4.14Å; L797-D833 HydrophobicContact CD1-CB 4.21Å
798T93.2Very high95.4Very high94 Ų9440.1 Ų40.158%0.57721%0.208SC*.Hα-helixtrans-88.6-39.4-169.246.40000114.2D794D794-T798 PolarHBondContact O-N 3.44Å; D794-T798 PolarHBondContact O-OG1 3.22Å
799E91.6Very high95.4Very high77 Ų7741.4 Ų41.436%0.3621%0.214SC..THydrogen-bonded Turntrans-101.2-26.1-173.2-65.886.6158.200112.9R762 P768 I795R762-E799 IonicContact NE-OE1 3.97Å; R762-E799 PolarHBondContact NE-OE1 3.48Å; P768-E799 HydrophobicContact CB-CB 4.2Å; P768-E799 HydrophobicContact CB-CG 3.94Å; P768-E799 HydrophobicContact CG-CB 4.49Å; P768-E799 HydrophobicContact CG-CG 4.3Å; I795-E799 WeakPolarHBondContact CA-OE2 3.41Å; I795-E799 PolarHBondContact O-N 3.11Å; I795-E799 VanDerWaalsContact O-N 3.15Å
800K91Very high95.4Very high88 Ų8840.1 Ų40.138%0.38321%0.208SC..SBendtrans-109.1-11.1-179.9-58.9-61.4-176.7-175.40114.6D769 I795 E796 N802D769-K800 WeakPolarHBondContact OD1-CE 3.18Å; D769-K800 IonicContact OD1-NZ 2.87Å; D769-K800 PolarHBondContact OD1-NZ 3Å; D769-K800 IonicContact OD2-NZ 2.79Å; D769-K800 PolarHBondContact OD2-NZ 3.25Å; I795-K800 PolarHBondContact O-N 2.98Å; E796-K800 CarbonylContact O-C 3.19Å; K800-N802 HydrophobicContact CB-CB 4.44Å; K800-N802 PolarHBondContact O-N 3.25Å; K800-N802 VanDerWaalsContact O-N 3.12Å
801A90.7Very high95.4Very high76 Ų7643.3 Ų43.363%0.62822%0.223SC*.  trans52.327.1-174.600000114.1E796 I803E796-A801 CarbonylContact O-C 3.51Å; E796-A801 PolarHBondContact O-N 3.45Å; A801-I803 PolarHBondContact O-N 3.48Å
802N94.8Very high95.5Very high64 Ų6446.4 Ų46.434%0.34224%0.237SC..  trans-92.871.6178.3-172.5-3.8000110.4E796 K800 K804 L805 A806E796-N802 HydrophobicContact CB-CB 4.42Å; E796-N802 PolarHBondContact O-N 3.13Å; E796-N802 WeakPolarHBondContact OE2-CB 3.28Å; K800-N802 HydrophobicContact CB-CB 4.44Å; K800-N802 PolarHBondContact O-N 3.25Å; K800-N802 VanDerWaalsContact O-N 3.12Å; N802-K804 PolarHBondContact O-N 3.43Å; N802-L805 HydrophobicContact CB-CB 4.45Å; N802-L805 WeakPolarHBondContact ND2-CB 3.29Å; N802-L805 PolarHBondContact O-N 3.1Å; N802-L805 VanDerWaalsContact O-N 3.17Å; N802-L805 PolarHBondContact OD1-N 3.25Å; N802-A806 PolarHBondContact O-N 3.45Å
803I94.5Very high95.4Very high40 Ų4046.4 Ų46.421%0.20524%0.237CC..Hα-helixtrans-58.4-36.6-172.6-56.6158.3000111.9L797 A801 A806 K807 A830 D833 E834L797-I803 HydrophobicContact CD1-CB 4.42Å; L797-I803 HydrophobicContact CD1-CG1 4.02Å; L797-I803 HydrophobicContact CD1-CG2 4.26Å; A801-I803 PolarHBondContact O-N 3.48Å; I803-A806 PolarHBondContact O-N 3.26Å; I803-K807 WeakPolarHBondContact O-CE 3.48Å; I803-K807 WeakPolarHBondContact O-CG 3.4Å; I803-K807 PolarHBondContact O-N 2.92Å; I803-K807 VanDerWaalsContact O-N 3.1Å; I803-A830 HydrophobicContact CG2-CB 4.33Å; I803-A830 WeakPolarHBondContact CG2-O 3.31Å; I803-D833 HydrophobicContact CD1-CB 4.14Å; I803-D833 WeakPolarHBondContact CD1-O 3.48Å; I803-D833 HydrophobicContact CG1-CB 4.31Å; I803-E834 HydrophobicContact CG2-CB 3.75Å; I803-E834 HydrophobicContact CG2-CG 4.22Å
804K94.9Very high95.4Very high141 Ų14147.6 Ų47.661%0.61324%0.243SC*.Hα-helixtrans-62.1-46.8179.7-173179.3178.8-178.20111.7N802 Q808N802-K804 PolarHBondContact O-N 3.43Å; K804-Q808 WeakPolarHBondContact O-CG 3.46Å; K804-Q808 PolarHBondContact O-N 3.2Å
805L95.7Very high95.4Very high36 Ų3652.6 Ų52.619%0.18826%0.263CS..Hα-helixtrans-73.2-36.5-179.8-173.758.3000111.7E796 N802 K807 Q808 Y809E796-L805 HydrophobicContact CG-CB 4.46Å; E796-L805 HydrophobicContact CG-CD2 4.04Å; E796-L805 HydrophobicContact CG-CG 4.13Å; E796-L805 WeakPolarHBondContact OE1-CD2 3.41Å; N802-L805 HydrophobicContact CB-CB 4.45Å; N802-L805 WeakPolarHBondContact ND2-CB 3.29Å; N802-L805 PolarHBondContact O-N 3.1Å; N802-L805 VanDerWaalsContact O-N 3.17Å; N802-L805 PolarHBondContact OD1-N 3.25Å; L805-K807 PolarHBondContact O-N 3.13Å; L805-Q808 VanDerWaalsContact CD1-OE1 3.32Å; L805-Q808 WeakPolarHBondContact O-CB 3.32Å; L805-Q808 PolarHBondContact O-N 2.77Å; L805-Q808 VanDerWaalsContact O-N 3.16Å; L805-Y809 HydrophobicContact CD1-CE2 3.98Å; L805-Y809 HydrophobicContact CD2-CE2 4.04Å; L805-Y809 HydrophobicContact CG-CD2 4.17Å; L805-Y809 HydrophobicContact CG-CE2 3.6Å; L805-Y809 WeakPolarHBondContact O-CD2 3.04Å; L805-Y809 PolarHBondContact O-N 3.45Å; L805-Y809 VanDerWaalsContact O-N 3.09Å
806A96.4Very high95.4Very high0 Ų056.2 Ų56.20%028%0.282CS..Hα-helixtrans-55.2-49.4174.100000112.1G793 E796 L797 N802 I803 Q808 Y809 F810G793-A806 VanDerWaalsContact O-CB 3.3Å; G793-A806 WeakPolarHBondContact O-CB 3.28Å; E796-A806 HydrophobicContact CB-CB 3.93Å; L797-A806 HydrophobicContact CB-CB 3.82Å; L797-A806 HydrophobicContact CD1-CB 4.3Å; N802-A806 PolarHBondContact O-N 3.45Å; I803-A806 PolarHBondContact O-N 3.26Å; A806-Q808 VanDerWaalsContact C-N 3.33Å; A806-Q808 PolarHBondContact O-N 2.9Å; A806-Y809 PolarHBondContact O-N 3.48Å; A806-Y809 VanDerWaalsContact O-N 3.17Å; A806-F810 HydrophobicContact CB-CE2 4.17Å; A806-F810 WeakPolarHBondContact O-CD2 3.25Å; A806-F810 WeakPolarHBondContact O-CG 3.39Å; A806-F810 PolarHBondContact O-N 3.24Å
807K96.9Very high95.4Very high22 Ų2258.4 Ų58.410%0.09629%0.294CS..Hα-helixtrans-58.3-43175.6-68.4179.8-66.3167.30112.5I803 L805 Y809 F810 E811 L827 A830 L831 E834I803-K807 WeakPolarHBondContact O-CE 3.48Å; I803-K807 WeakPolarHBondContact O-CG 3.4Å; I803-K807 PolarHBondContact O-N 2.92Å; I803-K807 VanDerWaalsContact O-N 3.1Å; L805-K807 PolarHBondContact O-N 3.13Å; K807-Y809 VanDerWaalsContact C-N 3.29Å; K807-Y809 PolarHBondContact O-N 3.01Å; K807-F810 PolarHBondContact O-N 3.06Å; K807-F810 VanDerWaalsContact O-N 3.17Å; K807-E811 WeakPolarHBondContact O-CB 3.39Å; K807-E811 VanDerWaalsContact O-CG 3.31Å; K807-E811 WeakPolarHBondContact O-CG 3.48Å; K807-E811 PolarHBondContact O-N 3.41Å; K807-L827 HydrophobicContact CB-CD1 3.83Å; K807-L827 HydrophobicContact CD-CD1 4.48Å; K807-L827 HydrophobicContact CG-CD1 3.84Å; K807-A830 HydrophobicContact CD-CB 4.46Å; K807-A830 HydrophobicContact CG-CB 3.58Å; K807-L831 HydrophobicContact CD-CD2 4.11Å; K807-E834 IonicContact NZ-OE1 3.17Å; K807-E834 PolarHBondContact NZ-OE1 3.17Å; K807-E834 IonicContact NZ-OE2 2.77Å; K807-E834 PolarHBondContact NZ-OE2 3.22Å
808Q97Very high95.3Very high91 Ų9161.9 Ų61.943%0.42532%0.318SS..Hα-helixtrans-57.8-43.6177.5-72178.3-22.500111.1K804 L805 A806 E811 E812K804-Q808 WeakPolarHBondContact O-CG 3.46Å; K804-Q808 PolarHBondContact O-N 3.2Å; L805-Q808 VanDerWaalsContact CD1-OE1 3.32Å; L805-Q808 WeakPolarHBondContact O-CB 3.32Å; L805-Q808 PolarHBondContact O-N 2.77Å; L805-Q808 VanDerWaalsContact O-N 3.16Å; A806-Q808 VanDerWaalsContact C-N 3.33Å; A806-Q808 PolarHBondContact O-N 2.9Å; Q808-E811 PolarHBondContact O-N 2.81Å; Q808-E812 WeakPolarHBondContact O-CG 3.45Å; Q808-E812 PolarHBondContact O-N 2.81Å
809Y97.8Very high95.3Very high28 Ų2865.7 Ų65.711%0.1133%0.326CS..Hα-helixtrans-65.4-40.7176.4-67.9-49.3000113L776 I779 Y789 L792 E796 L805 A806 K807 E812 A813L776-Y809 WeakPolarHBondContact CD2-OH 3.47Å; I779-Y809 HydrophobicContact CD1-CE1 4.34Å; Y789-Y809 AromaticContact CD1-CD1 3.96Å; Y789-Y809 HydrophobicContact CD1-CD1 3.96Å; Y789-Y809 HydrophobicContact CE1-CD1 4.46Å; L792-Y809 HydrophobicContact CB-CD1 4.35Å; L792-Y809 HydrophobicContact CB-CD2 3.69Å; L792-Y809 HydrophobicContact CB-CE1 4.48Å; L792-Y809 HydrophobicContact CB-CE2 3.82Å; L792-Y809 HydrophobicContact CB-CG 3.97Å; L792-Y809 HydrophobicContact CD1-CD1 4.42Å; L792-Y809 HydrophobicContact CD1-CE1 4.1Å; E796-Y809 HydrophobicContact CG-CD2 4.07Å; E796-Y809 HydrophobicContact CG-CE2 3.74Å; L805-Y809 HydrophobicContact CD1-CE2 3.98Å; L805-Y809 HydrophobicContact CD2-CE2 4.04Å; L805-Y809 HydrophobicContact CG-CD2 4.17Å; L805-Y809 HydrophobicContact CG-CE2 3.6Å; L805-Y809 WeakPolarHBondContact O-CD2 3.04Å; L805-Y809 PolarHBondContact O-N 3.45Å; L805-Y809 VanDerWaalsContact O-N 3.09Å; A806-Y809 PolarHBondContact O-N 3.48Å; A806-Y809 VanDerWaalsContact O-N 3.17Å; K807-Y809 VanDerWaalsContact C-N 3.29Å; K807-Y809 PolarHBondContact O-N 3.01Å; Y809-E812 PolarHBondContact O-N 3.33Å; Y809-A813 PolarHBondContact O-N 2.96Å
810F98Very high95.4Very high0 Ų063.4 Ų63.40%032%0.316CS..Hα-helixtrans-66.5-36.7175.5-59-45000112.7L790 L797 A806 K807 A813 L814 N826 L827 A830L790-F810 HydrophobicContact CD2-CD1 4.12Å; L790-F810 HydrophobicContact CD2-CE1 4.45Å; L797-F810 HydrophobicContact CD2-CE2 4.42Å; A806-F810 HydrophobicContact CB-CE2 4.17Å; A806-F810 WeakPolarHBondContact O-CD2 3.25Å; A806-F810 WeakPolarHBondContact O-CG 3.39Å; A806-F810 PolarHBondContact O-N 3.24Å; K807-F810 PolarHBondContact O-N 3.06Å; K807-F810 VanDerWaalsContact O-N 3.17Å; F810-A813 WeakPolarHBondContact O-CB 3.16Å; F810-A813 PolarHBondContact O-N 2.79Å; F810-L814 WeakPolarHBondContact O-CG 3.43Å; F810-L814 PolarHBondContact O-N 3.03Å; F810-N826 HydrophobicContact CD1-CB 3.74Å; F810-N826 HydrophobicContact CD2-CB 4Å; F810-N826 HydrophobicContact CE1-CB 3.45Å; F810-N826 VanDerWaalsContact CE1-CB 3.45Å; F810-N826 HydrophobicContact CE2-CB 3.73Å; F810-N826 HydrophobicContact CG-CB 4.02Å; F810-N826 HydrophobicContact CZ-CB 3.45Å; F810-N826 VanDerWaalsContact CZ-CB 3.45Å; F810-L827 HydrophobicContact CB-CB 3.96Å; F810-L827 HydrophobicContact CB-CD1 4.4Å; F810-A830 HydrophobicContact CD2-CB 4.34Å; F810-A830 HydrophobicContact CE2-CB 4.23Å
811E97.4Very high95.4Very high88 Ų8861.2 Ų61.241%0.41131%0.308SS..Hα-helixtrans-64.2-42.4172.7-73.5169.6-178.300111.6K807 Q808 A813 L814 K815 L827K807-E811 WeakPolarHBondContact O-CB 3.39Å; K807-E811 VanDerWaalsContact O-CG 3.31Å; K807-E811 WeakPolarHBondContact O-CG 3.48Å; K807-E811 PolarHBondContact O-N 3.41Å; Q808-E811 PolarHBondContact O-N 2.81Å; E811-A813 VanDerWaalsContact C-N 3.35Å; E811-L814 PolarHBondContact O-N 2.94Å; E811-K815 WeakPolarHBondContact O-CG 3.47Å; E811-K815 PolarHBondContact O-N 3.42Å; E811-L827 HydrophobicContact CG-CD1 4.2Å; E811-L827 HydrophobicContact CG-CD2 4.22Å
812E97.3Very high95.5Very high70 Ų7062 Ų6233%0.32730%0.299SS..Hα-helixtrans-62.8-40.3173.7-71.1-54.3135.200111.9Y789 Q808 Y809 L814 K815 L816Y789-E812 HydrophobicContact CD1-CB 3.71Å; Y789-E812 HydrophobicContact CE1-CB 3.74Å; Y789-E812 HydrophobicContact CE1-CG 4.27Å; Y789-E812 HydrophobicContact CG-CB 4.41Å; Q808-E812 WeakPolarHBondContact O-CG 3.45Å; Q808-E812 PolarHBondContact O-N 2.81Å; Y809-E812 PolarHBondContact O-N 3.33Å; E812-L814 VanDerWaalsContact C-N 3.32Å; E812-L814 PolarHBondContact O-N 3.3Å; E812-K815 PolarHBondContact O-N 2.88Å; E812-K815 IonicContact OE1-NZ 3.59Å; E812-K815 PolarHBondContact OE1-NZ 3.38Å; E812-L816 WeakPolarHBondContact O-CG 3.39Å; E812-L816 PolarHBondContact O-N 3.23Å; E812-L816 VanDerWaalsContact O-N 3.15Å
813A97.1Very high95.5Very high0 Ų059 Ų590%028%0.283CS..Hα-helixtrans-59.7-41.6173.300000112.1I786 L790 Y809 F810 E811 L816 D817 A823I786-A813 HydrophobicContact CG2-CB 4.14Å; L790-A813 HydrophobicContact CD2-CB 4.29Å; Y809-A813 PolarHBondContact O-N 2.96Å; F810-A813 WeakPolarHBondContact O-CB 3.16Å; F810-A813 PolarHBondContact O-N 2.79Å; E811-A813 VanDerWaalsContact C-N 3.35Å; A813-L816 PolarHBondContact O-N 3.44Å; A813-D817 PolarHBondContact O-N 3Å; A813-A823 HydrophobicContact CB-CB 3.86Å
814L96.4Very high95.6Very high25 Ų2558.5 Ų58.513%0.13128%0.279CS..Hα-helixtrans-72.9-29.3176.9-73.2169.1000113.5F810 E811 E812 L816 D817 P818 N820 A823 K824 L827F810-L814 WeakPolarHBondContact O-CG 3.43Å; F810-L814 PolarHBondContact O-N 3.03Å; E811-L814 PolarHBondContact O-N 2.94Å; E812-L814 VanDerWaalsContact C-N 3.32Å; E812-L814 PolarHBondContact O-N 3.3Å; L814-L816 VanDerWaalsContact C-N 3.29Å; L814-D817 CarbonylContact O-C 3.59Å; L814-P818 WeakPolarHBondContact O-CA 3.23Å; L814-P818 WeakPolarHBondContact O-CD 3.44Å; L814-P818 WeakPolarHBondContact O-CG 3.4Å; L814-N820 HydrophobicContact CD2-CB 4.4Å; L814-A823 HydrophobicContact CD2-CB 3.85Å; L814-A823 HydrophobicContact CG-CB 3.77Å; L814-K824 HydrophobicContact CD1-CB 4.49Å; L814-K824 HydrophobicContact CD1-CD 3.98Å; L814-K824 HydrophobicContact CD2-CB 4.17Å; L814-L827 HydrophobicContact CD1-CD2 3.88Å
815K96.4Very high95.6Very high141 Ų14152.5 Ų52.561%0.61325%0.254SS*.Hα-helixtrans-63.7-38.9170.9-74.8175.2-171.3171.40111.1E811 E812E811-K815 WeakPolarHBondContact O-CG 3.47Å; E811-K815 PolarHBondContact O-N 3.42Å; E812-K815 PolarHBondContact O-N 2.88Å; E812-K815 IonicContact OE1-NZ 3.59Å; E812-K815 PolarHBondContact OE1-NZ 3.38Å
816L95.6Very high95.5Very high76 Ų7651.5 Ų51.540%0.39825%0.248SC..Hα-helixtrans-74.7-39.2177.5-67.6173.3000112.4P783 I786 Y789 E812 A813 L814P783-L816 WeakPolarHBondContact O-CD1 3.48Å; I786-L816 HydrophobicContact CD1-CB 4.33Å; I786-L816 HydrophobicContact CG1-CB 3.79Å; I786-L816 HydrophobicContact CG1-CD1 4.12Å; Y789-L816 HydrophobicContact CD2-CD1 3.94Å; Y789-L816 HydrophobicContact CE2-CD1 3.65Å; E812-L816 WeakPolarHBondContact O-CG 3.39Å; E812-L816 PolarHBondContact O-N 3.23Å; E812-L816 VanDerWaalsContact O-N 3.15Å; A813-L816 PolarHBondContact O-N 3.44Å; L814-L816 VanDerWaalsContact C-N 3.29Å
817D95.1Very high95.5Very high52 Ų5252.2 Ų52.228%0.27825%0.252SS..  trans-139.992.7175.9176.116.2000111I786 A813 L814 K819 N820I786-D817 HydrophobicContact CD1-CB 3.57Å; I786-D817 HydrophobicContact CG1-CB 4.46Å; A813-D817 PolarHBondContact O-N 3Å; L814-D817 CarbonylContact O-C 3.59Å; D817-K819 PolarHBondContact O-N 3.05Å; D817-K819 PolarHBondContact OD1-N 2.95Å; D817-K819 VanDerWaalsContact OD1-N 3.14Å; D817-N820 HydrophobicContact CB-CB 4.14Å; D817-N820 VanDerWaalsContact O-CB 3.25Å; D817-N820 WeakPolarHBondContact O-CB 3.37Å; D817-N820 PolarHBondContact O-N 3.28Å; D817-N820 WeakPolarHBondContact OD2-CB 3.4Å; D817-N820 PolarHBondContact OD2-ND2 3.12Å
818P94.4Very high95.5Very high91 Ų9151.2 Ų51.259%0.59125%0.248SC*.THydrogen-bonded Turntrans-63.1-14.4-179-25.234000114.5L814 M850L814-P818 WeakPolarHBondContact O-CA 3.23Å; L814-P818 WeakPolarHBondContact O-CD 3.44Å; L814-P818 WeakPolarHBondContact O-CG 3.4Å; P818-M850 WeakPolarHBondContact O-CE 3.5Å
819K91.7Very high95.3Very high174 Ų17448.4 Ų48.476%0.75724%0.237SC*.THydrogen-bonded Turntrans-94.73.8178.5-65-175.6179.5-178.50112.7D817 I821D817-K819 PolarHBondContact O-N 3.05Å; D817-K819 PolarHBondContact OD1-N 2.95Å; D817-K819 VanDerWaalsContact OD1-N 3.14Å; K819-I821 PolarHBondContact O-N 3.34Å
820N93.5Very high95.2Very high28 Ų2847 Ų4715%0.1523%0.232CC..  trans-73.198-177-159.4-65.1000112L814 D817 Q822 A823 K824L814-N820 HydrophobicContact CD2-CB 4.4Å; D817-N820 HydrophobicContact CB-CB 4.14Å; D817-N820 VanDerWaalsContact O-CB 3.25Å; D817-N820 WeakPolarHBondContact O-CB 3.37Å; D817-N820 PolarHBondContact O-N 3.28Å; D817-N820 WeakPolarHBondContact OD2-CB 3.4Å; D817-N820 PolarHBondContact OD2-ND2 3.12Å; N820-Q822 VanDerWaalsContact C-N 3.31Å; N820-Q822 PolarHBondContact O-N 3.43Å; N820-Q822 PolarHBondContact OD1-N 3.44Å; N820-A823 HydrophobicContact CB-CB 3.9Å; N820-A823 PolarHBondContact O-N 3Å; N820-A823 PolarHBondContact OD1-N 2.89Å; N820-K824 PolarHBondContact O-N 3.09Å
821I92.1Very high95Very high42 Ų4248 Ų4822%0.21524%0.237CC..Hα-helixtrans-62.4-38.2-177.6-64146.4000111.6K819 K824 H825 M850 E851 L858K819-I821 PolarHBondContact O-N 3.34Å; I821-K824 PolarHBondContact O-N 2.79Å; I821-H825 WeakPolarHBondContact O-CB 3.22Å; I821-H825 PolarHBondContact O-N 3.13Å; I821-M850 HydrophobicContact CG1-CB 4.37Å; I821-E851 HydrophobicContact CD1-CG 3.36Å; I821-E851 HydrophobicContact CG1-CG 3.98Å; I821-E851 HydrophobicContact CG2-CG 4.45Å; I821-L858 HydrophobicContact CG2-CD1 4.36Å
822Q93.2Very high94.8Very high93 Ų9344 Ų4444%0.43522%0.219SC..Hα-helixtrans-62.9-44.9177.8-172.667.251.400111.4L790 N820 K824 H825 N826L790-Q822 HydrophobicContact CD1-CB 4.35Å; L790-Q822 HydrophobicContact CD1-CG 4.2Å; L790-Q822 HydrophobicContact CD2-CG 4.48Å; N820-Q822 VanDerWaalsContact C-N 3.31Å; N820-Q822 PolarHBondContact O-N 3.43Å; N820-Q822 PolarHBondContact OD1-N 3.44Å; Q822-K824 VanDerWaalsContact C-N 3.32Å; Q822-K824 PolarHBondContact O-N 3.5Å; Q822-H825 PolarHBondContact O-N 3.34Å; Q822-N826 PolarHBondContact NE2-OD1 2.94Å; Q822-N826 WeakPolarHBondContact O-CB 3.21Å; Q822-N826 VanDerWaalsContact O-CG 3.22Å; Q822-N826 PolarHBondContact O-N 3.46Å; Q822-N826 PolarHBondContact O-OD1 3.28Å
823A95Very high94.4Very high0 Ų044.5 Ų44.50%022%0.224CC..Hα-helixtrans-61.4-43.1176.400000111.5L790 A813 L814 N820 L827L790-A823 VanDerWaalsContact CD2-CA 3.43Å; L790-A823 HydrophobicContact CD2-CB 3.59Å; A813-A823 HydrophobicContact CB-CB 3.86Å; L814-A823 HydrophobicContact CD2-CB 3.85Å; L814-A823 HydrophobicContact CG-CB 3.77Å; N820-A823 HydrophobicContact CB-CB 3.9Å; N820-A823 PolarHBondContact O-N 3Å; N820-A823 PolarHBondContact OD1-N 2.89Å; A823-L827 WeakPolarHBondContact O-CB 3.47Å; A823-L827 PolarHBondContact O-N 3.25Å
824K95.6Very high94.2Very high30 Ų3047.3 Ų47.313%0.1324%0.237CC..Hα-helixtrans-63.3-49.7177.8-169.269.8173.7-178.10111.4L814 N820 I821 Q822 N826 L827 C828 E846 A847 M850L814-K824 HydrophobicContact CD1-CB 4.49Å; L814-K824 HydrophobicContact CD1-CD 3.98Å; L814-K824 HydrophobicContact CD2-CB 4.17Å; N820-K824 PolarHBondContact O-N 3.09Å; I821-K824 PolarHBondContact O-N 2.79Å; Q822-K824 VanDerWaalsContact C-N 3.32Å; Q822-K824 PolarHBondContact O-N 3.5Å; K824-N826 PolarHBondContact O-N 3.19Å; K824-L827 WeakPolarHBondContact O-CB 3.27Å; K824-L827 PolarHBondContact O-N 3.32Å; K824-C828 PolarHBondContact O-N 2.98Å; K824-C828 PolarHBondContact O-SG 3.37Å; K824-E846 VanDerWaalsContact CE-OE2 3.31Å; K824-E846 WeakPolarHBondContact CE-OE2 3.39Å; K824-E846 IonicContact NZ-OE2 3.4Å; K824-E846 PolarHBondContact NZ-OE2 2.89Å; K824-A847 HydrophobicContact CB-CB 4.37Å; K824-A847 HydrophobicContact CG-CB 3.72Å; K824-M850 HydrophobicContact CB-SD 4.24Å; K824-M850 HydrophobicContact CD-SD 4.46Å; K824-M850 HydrophobicContact CG-SD 3.95Å
825H94.7Very high93.8Very high15 Ų1549.3 Ų49.37%0.06925%0.247CC..Hα-helixtrans-56.7-49.4177.7175.8-125000111.8I821 Q822 L827 C828 V829 H857 L858 H861I821-H825 WeakPolarHBondContact O-CB 3.22Å; I821-H825 PolarHBondContact O-N 3.13Å; Q822-H825 PolarHBondContact O-N 3.34Å; H825-L827 VanDerWaalsContact C-N 3.3Å; H825-L827 PolarHBondContact O-N 2.83Å; H825-C828 WeakPolarHBondContact O-CB 3.43Å; H825-C828 PolarHBondContact O-N 2.98Å; H825-V829 WeakPolarHBondContact O-CG2 3.33Å; H825-V829 PolarHBondContact O-N 3.5Å; H825-H857 AromaticContact CE1-CD2 3.44Å; H825-H857 PolarHBondContact CE1-CD2 2.85Å; H825-H857 VanDerWaalsContact CE1-CD2 3.44Å; H825-H857 AromaticContact CE1-NE2 3.84Å; H825-H857 AromaticContact CG-NE2 3.9Å; H825-H857 AromaticContact ND1-CD2 3.82Å; H825-H857 AromaticContact ND1-NE2 3.73Å; H825-H857 AromaticContact NE2-CD2 3.53Å; H825-L858 HydrophobicContact CB-CD2 3.84Å; H825-L858 WeakPolarHBondContact CD2-CD2 3.32Å; H825-H861 AromaticContact CD2-ND1 3.9Å; H825-H861 AromaticContact CE1-CE1 3.67Å; H825-H861 AromaticContact CE1-ND1 3.69Å; H825-H861 AromaticContact NE2-CE1 3.36Å; H825-H861 PolarHBondContact NE2-CE1 3.14Å; H825-H861 AromaticContact NE2-CG 3.72Å; H825-H861 AromaticContact NE2-ND1 2.91Å; H825-H861 PolarHBondContact NE2-ND1 2.64Å
826N95Very high93.6Very high15 Ų1546.3 Ų46.38%0.0824%0.235CC..Hα-helixtrans-62.9-36.3179.5-69.75.8000112.1D794 F810 Q822 K824 V829 A830D794-N826 PolarHBondContact OD1-ND2 3.49Å; F810-N826 HydrophobicContact CD1-CB 3.74Å; F810-N826 HydrophobicContact CD2-CB 4Å; F810-N826 HydrophobicContact CE1-CB 3.45Å; F810-N826 VanDerWaalsContact CE1-CB 3.45Å; F810-N826 HydrophobicContact CE2-CB 3.73Å; F810-N826 HydrophobicContact CG-CB 4.02Å; F810-N826 HydrophobicContact CZ-CB 3.45Å; F810-N826 VanDerWaalsContact CZ-CB 3.45Å; Q822-N826 PolarHBondContact NE2-OD1 2.94Å; Q822-N826 WeakPolarHBondContact O-CB 3.21Å; Q822-N826 VanDerWaalsContact O-CG 3.22Å; Q822-N826 PolarHBondContact O-N 3.46Å; Q822-N826 PolarHBondContact O-OD1 3.28Å; K824-N826 PolarHBondContact O-N 3.19Å; N826-V829 PolarHBondContact O-N 2.77Å; N826-A830 WeakPolarHBondContact O-CB 3.33Å; N826-A830 PolarHBondContact O-N 2.99Å
827L96.4Very high93.4Very high16 Ų1643 Ų438%0.08422%0.217CC..Hα-helixtrans-61.7-42.6171.6179.461.8000111.7K807 F810 E811 L814 A823 K824 H825 V829 A830 L831K807-L827 HydrophobicContact CB-CD1 3.83Å; K807-L827 HydrophobicContact CD-CD1 4.48Å; K807-L827 HydrophobicContact CG-CD1 3.84Å; F810-L827 HydrophobicContact CB-CB 3.96Å; F810-L827 HydrophobicContact CB-CD1 4.4Å; E811-L827 HydrophobicContact CG-CD1 4.2Å; E811-L827 HydrophobicContact CG-CD2 4.22Å; L814-L827 HydrophobicContact CD1-CD2 3.88Å; A823-L827 WeakPolarHBondContact O-CB 3.47Å; A823-L827 PolarHBondContact O-N 3.25Å; K824-L827 WeakPolarHBondContact O-CB 3.27Å; K824-L827 PolarHBondContact O-N 3.32Å; H825-L827 VanDerWaalsContact C-N 3.3Å; H825-L827 PolarHBondContact O-N 2.83Å; L827-V829 VanDerWaalsContact C-N 3.33Å; L827-V829 PolarHBondContact O-N 3.07Å; L827-A830 PolarHBondContact O-N 3.26Å; L827-L831 WeakPolarHBondContact O-CG 3.31Å; L827-L831 PolarHBondContact O-N 3.19Å
828C95.3Very high93.3Very high0 Ų047.8 Ų47.80%024%0.238CC..Hα-helixtrans-65.7-36.9178.1-47.20000112.2K824 H825 L831 A832 S840 C843 L844K824-C828 PolarHBondContact O-N 2.98Å; K824-C828 PolarHBondContact O-SG 3.37Å; H825-C828 WeakPolarHBondContact O-CB 3.43Å; H825-C828 PolarHBondContact O-N 2.98Å; C828-L831 PolarHBondContact O-N 2.99Å; C828-A832 PolarHBondContact O-N 3.4Å; C828-A832 VanDerWaalsContact O-N 3.1Å; C828-S840 WeakPolarHBondContact O-CB 3.32Å; C828-S840 PolarHBondContact O-OG 2.99Å; C828-C843 WeakPolarHBondContact CA-SG 3.41Å; C828-C843 HydrophobicContact CB-CB 3.76Å; C828-C843 WeakPolarHBondContact CB-SG 3.25Å; C828-C843 PolarHBondContact N-SG 3.36Å; C828-C843 WeakPolarHBondContact SG-CB 3.3Å; C828-C843 PolarHBondContact SG-O 3.38Å; C828-C843 CovalentContact SG-SG 2.05Å; C828-C843 PolarHBondContact SG-SG 3.22Å; C828-L844 HydrophobicContact CB-CD2 3.82Å; C828-L844 HydrophobicContact CB-CG 3.77Å; C828-L844 PolarHBondContact SG-N 3.5Å
829V93.9Very high93.2Very high32 Ų3248.7 Ų48.719%0.19423%0.234CC..Hα-helixtrans-64.2-46.2172.8177.20000110.4L797 H825 N826 L827 L831 A832 D833 H861L797-V829 HydrophobicContact CD2-CG1 4.13Å; H825-V829 WeakPolarHBondContact O-CG2 3.33Å; H825-V829 PolarHBondContact O-N 3.5Å; N826-V829 PolarHBondContact O-N 2.77Å; L827-V829 VanDerWaalsContact C-N 3.33Å; L827-V829 PolarHBondContact O-N 3.07Å; V829-L831 VanDerWaalsContact C-N 3.27Å; V829-L831 PolarHBondContact O-N 3.27Å; V829-A832 WeakPolarHBondContact O-CA 3.39Å; V829-A832 WeakPolarHBondContact O-CB 3.45Å; V829-A832 PolarHBondContact O-N 3.14Å; V829-D833 PolarHBondContact O-N 3.49Å; V829-H861 WeakPolarHBondContact CG2-ND1 3.46Å
830A94.4Very high93.3Very high0 Ų040.4 Ų40.40%020%0.198CC..Hα-helixtrans-60.7-34.7176.500000112.8L797 I803 K807 F810 N826 L827 D833 E834L797-A830 HydrophobicContact CD1-CB 3.93Å; L797-A830 HydrophobicContact CD2-CB 4.14Å; I803-A830 HydrophobicContact CG2-CB 4.33Å; I803-A830 WeakPolarHBondContact CG2-O 3.31Å; K807-A830 HydrophobicContact CD-CB 4.46Å; K807-A830 HydrophobicContact CG-CB 3.58Å; F810-A830 HydrophobicContact CD2-CB 4.34Å; F810-A830 HydrophobicContact CE2-CB 4.23Å; N826-A830 WeakPolarHBondContact O-CB 3.33Å; N826-A830 PolarHBondContact O-N 2.99Å; L827-A830 PolarHBondContact O-N 3.26Å; A830-D833 PolarHBondContact O-N 3.45Å; A830-E834 PolarHBondContact O-N 2.92Å
831L95Very high93.4Very high20 Ų2041.3 Ų41.311%0.10520%0.202CC..Hα-helixtrans-65.9-36.7172.1-73169000112.6K807 L827 C828 V829 E834 D835 K836 Q839 C843K807-L831 HydrophobicContact CD-CD2 4.11Å; L827-L831 WeakPolarHBondContact O-CG 3.31Å; L827-L831 PolarHBondContact O-N 3.19Å; C828-L831 PolarHBondContact O-N 2.99Å; V829-L831 VanDerWaalsContact C-N 3.27Å; V829-L831 PolarHBondContact O-N 3.27Å; L831-E834 PolarHBondContact O-N 2.98Å; L831-D835 PolarHBondContact O-N 3.29Å; L831-K836 HydrophobicContact CD2-CB 4.47Å; L831-K836 HydrophobicContact CD2-CD 4.28Å; L831-K836 PolarHBondContact O-N 3.29Å; L831-Q839 HydrophobicContact CD1-CB 4.19Å; L831-Q839 HydrophobicContact CD2-CB 4.37Å; L831-C843 HydrophobicContact CD1-CB 4Å
832A91.9Very high93.5Very high5 Ų542.1 Ų42.14%0.04121%0.211CC..Hα-helixtrans-68.9-35.117600000112.9C828 V829 D835 I865 R868C828-A832 PolarHBondContact O-N 3.4Å; C828-A832 VanDerWaalsContact O-N 3.1Å; V829-A832 WeakPolarHBondContact O-CA 3.39Å; V829-A832 WeakPolarHBondContact O-CB 3.45Å; V829-A832 PolarHBondContact O-N 3.14Å; A832-D835 WeakPolarHBondContact O-CA 3.35Å; A832-D835 PolarHBondContact O-N 2.88Å; A832-D835 VanDerWaalsContact O-N 3.14Å; A832-I865 HydrophobicContact CB-CD1 3.31Å; A832-I865 HydrophobicContact CB-CG1 4.43Å; A832-R868 PolarHBondContact O-NH1 2.93Å; A832-R868 PolarHBondContact O-NH2 3.41Å; A832-R868 VanDerWaalsContact O-NH2 3.07Å
833D90.7Very high93.5Very high80 Ų8038 Ų3843%0.42819%0.192SC..Hα-helixtrans-73.9-32176.1-72.8-5.8000111.6L797 I803 V829 A830 D835L797-D833 HydrophobicContact CD1-CB 4.21Å; I803-D833 HydrophobicContact CD1-CB 4.14Å; I803-D833 WeakPolarHBondContact CD1-O 3.48Å; I803-D833 HydrophobicContact CG1-CB 4.31Å; V829-D833 PolarHBondContact O-N 3.49Å; A830-D833 PolarHBondContact O-N 3.45Å; D833-D835 PolarHBondContact O-N 2.89Å
834E91.2Very high93.5Very high59 Ų5938 Ų3828%0.27619%0.193SC..THydrogen-bonded Turntrans-75.34.5167.1-150.1-174.6-150.600112.9I803 K807 A830 L831 K836I803-E834 HydrophobicContact CG2-CB 3.75Å; I803-E834 HydrophobicContact CG2-CG 4.22Å; K807-E834 IonicContact NZ-OE1 3.17Å; K807-E834 PolarHBondContact NZ-OE1 3.17Å; K807-E834 IonicContact NZ-OE2 2.77Å; K807-E834 PolarHBondContact NZ-OE2 3.22Å; A830-E834 PolarHBondContact O-N 2.92Å; L831-E834 PolarHBondContact O-N 2.98Å; E834-K836 PolarHBondContact O-N 3.27Å; E834-K836 IonicContact OE1-NZ 2.72Å; E834-K836 VanDerWaalsContact OE2-CD 3.26Å; E834-K836 WeakPolarHBondContact OE2-CD 3.29Å; E834-K836 WeakPolarHBondContact OE2-CE 3.38Å; E834-K836 IonicContact OE2-NZ 3.28Å; E834-K836 PolarHBondContact OE2-NZ 3.15Å
835D89.7Confident93.4Very high66 Ų6640.3 Ų40.335%0.35321%0.206SC..THydrogen-bonded Turntrans66.816.4175.8-153.943.7000115.4L831 A832 D833 L837 R868 R872L831-D835 PolarHBondContact O-N 3.29Å; A832-D835 WeakPolarHBondContact O-CA 3.35Å; A832-D835 PolarHBondContact O-N 2.88Å; A832-D835 VanDerWaalsContact O-N 3.14Å; D833-D835 PolarHBondContact O-N 2.89Å; D835-L837 VanDerWaalsContact C-N 3.27Å; D835-L837 PolarHBondContact O-N 3.49Å; D835-L837 VanDerWaalsContact O-N 3.12Å; D835-R868 IonicContact OD1-NH2 3.95Å; D835-R868 PolarHBondContact OD1-NH2 3.21Å; D835-R872 IonicContact OD1-CZ 3.07Å; D835-R872 IonicContact OD1-NE 2.95Å; D835-R872 IonicContact OD1-NH1 2.7Å; D835-R872 PolarHBondContact OD1-NH1 2.9Å; D835-R872 IonicContact OD1-NH2 2.65Å; D835-R872 PolarHBondContact OD1-NH2 3.46Å; D835-R872 IonicContact OD2-CZ 2.65Å; D835-R872 IonicContact OD2-NH1 2.73Å; D835-R872 PolarHBondContact OD2-NH1 3.27Å; D835-R872 IonicContact OD2-NH2 2.97Å; D835-R872 PolarHBondContact OD2-NH2 3.11Å
836K92.1Very high93.3Very high79 Ų7944 Ų4434%0.34322%0.223SC..  trans-87.764.7174.3-64-175.4-179.3158.20110.6L831 E834 E838 Q839 S840L831-K836 HydrophobicContact CD2-CB 4.47Å; L831-K836 HydrophobicContact CD2-CD 4.28Å; L831-K836 PolarHBondContact O-N 3.29Å; E834-K836 PolarHBondContact O-N 3.27Å; E834-K836 IonicContact OE1-NZ 2.72Å; E834-K836 VanDerWaalsContact OE2-CD 3.26Å; E834-K836 WeakPolarHBondContact OE2-CD 3.29Å; E834-K836 WeakPolarHBondContact OE2-CE 3.38Å; E834-K836 IonicContact OE2-NZ 3.28Å; E834-K836 PolarHBondContact OE2-NZ 3.15Å; K836-E838 PolarHBondContact O-N 3.45Å; K836-Q839 HydrophobicContact CB-CB 4.18Å; K836-Q839 HydrophobicContact CB-CG 4.4Å; K836-Q839 PolarHBondContact O-N 3.07Å; K836-S840 PolarHBondContact O-N 3.34Å
837L91.2Very high93.1Very high7 Ų743.3 Ų43.34%0.03722%0.219CC..Hα-helixtrans-61.3-37.7-169.8-60179.7000114.3D835 S840 E841 I865 R868 L869D835-L837 VanDerWaalsContact C-N 3.27Å; D835-L837 PolarHBondContact O-N 3.49Å; D835-L837 VanDerWaalsContact O-N 3.12Å; L837-S840 PolarHBondContact O-N 3.26Å; L837-E841 PolarHBondContact O-N 3.41Å; L837-I865 HydrophobicContact CB-CG2 4.35Å; L837-I865 HydrophobicContact CD2-CD1 4.13Å; L837-I865 WeakPolarHBondContact O-CG2 3.37Å; L837-R868 HydrophobicContact CD1-CB 3.82Å; L837-R868 HydrophobicContact CD2-CB 4.37Å; L837-L869 HydrophobicContact CB-CD1 4.41Å; L837-L869 HydrophobicContact CB-CD2 3.49Å; L837-L869 VanDerWaalsContact CB-CD2 3.49Å; L837-L869 HydrophobicContact CB-CG 3.77Å; L837-L869 HydrophobicContact CD1-CD2 4.2Å; L837-L869 HydrophobicContact CD1-CG 4.29Å
838E92.5Very high92.9Very high151 Ų15143.8 Ų43.871%0.70622%0.222SC*.Hα-helixtrans-65.9-40.8176.8-65177.8175.700111.9K836 E841 S842 L869K836-E838 PolarHBondContact O-N 3.45Å; E838-E841 PolarHBondContact O-N 3.45Å; E838-S842 PolarHBondContact O-N 2.68Å; E838-L869 HydrophobicContact CG-CD2 4.07Å
839Q92.9Very high92.7Very high110 Ų11047.8 Ų47.851%0.51426%0.255SS..Hα-helixtrans-68.5-38.4175.8-63-177.711.100111.1L831 K836 S842 C843L831-Q839 HydrophobicContact CD1-CB 4.19Å; L831-Q839 HydrophobicContact CD2-CB 4.37Å; K836-Q839 HydrophobicContact CB-CB 4.18Å; K836-Q839 HydrophobicContact CB-CG 4.4Å; K836-Q839 PolarHBondContact O-N 3.07Å; Q839-S842 PolarHBondContact O-N 3.2Å; Q839-C843 WeakPolarHBondContact O-CB 3.42Å; Q839-C843 PolarHBondContact O-N 3.18Å
840S93.2Very high92.4Very high1 Ų149.6 Ų49.61%0.00726%0.262CS..Hα-helixtrans-62.5-43.1173.2-175.20000111.6C828 K836 L837 C843 L844C828-S840 WeakPolarHBondContact O-CB 3.32Å; C828-S840 PolarHBondContact O-OG 2.99Å; K836-S840 PolarHBondContact O-N 3.34Å; L837-S840 PolarHBondContact O-N 3.26Å; S840-C843 WeakPolarHBondContact O-CB 3.46Å; S840-C843 PolarHBondContact O-N 3.19Å; S840-L844 WeakPolarHBondContact O-CB 3.04Å; S840-L844 WeakPolarHBondContact O-CG 3.19Å; S840-L844 PolarHBondContact O-N 3.03Å
841E95.1Very high91.9Very high46 Ų4651.1 Ų51.122%0.21527%0.269CS..Hα-helixtrans-60.4-50.4175.3-174.3178.6-167.400111.3L837 E838 C843 L844 L845 L862 I865 R866 L869L837-E841 PolarHBondContact O-N 3.41Å; E838-E841 PolarHBondContact O-N 3.45Å; E841-C843 VanDerWaalsContact C-N 3.3Å; E841-C843 PolarHBondContact O-N 2.81Å; E841-L844 PolarHBondContact O-N 3.05Å; E841-L845 HydrophobicContact CG-CD1 4.33Å; E841-L845 WeakPolarHBondContact O-CG 3.38Å; E841-L845 PolarHBondContact O-N 2.95Å; E841-L862 HydrophobicContact CG-CD1 3.79Å; E841-I865 HydrophobicContact CB-CG2 4.16Å; E841-R866 IonicContact OE1-CZ 3.47Å; E841-R866 IonicContact OE1-NE 2.79Å; E841-R866 PolarHBondContact OE1-NE 2.98Å; E841-R866 IonicContact OE1-NH2 3.24Å; E841-R866 PolarHBondContact OE1-NH2 2.96Å; E841-L869 HydrophobicContact CB-CD1 4.23Å; E841-L869 VanDerWaalsContact OE2-CD1 3.27Å; E841-L869 WeakPolarHBondContact OE2-CD1 3.45Å
842S94.3Very high91.2Very high59 Ų5956.9 Ų56.941%0.41331%0.308SS..Hα-helixtrans-57.8-44.9176.2-169.70000111.5E838 Q839 L844 L845 E846E838-S842 PolarHBondContact O-N 2.68Å; Q839-S842 PolarHBondContact O-N 3.2Å; S842-L844 PolarHBondContact O-N 3.44Å; S842-L845 PolarHBondContact O-N 3.12Å; S842-E846 WeakPolarHBondContact O-CG 3.31Å; S842-E846 PolarHBondContact O-N 2.73Å
843C94Very high90.8Very high6 Ų665.3 Ų65.34%0.04134%0.344CS..Hα-helixtrans-61-42.3177.8179.40000112.1C828 L831 Q839 S840 E841 E846 A847C828-C843 WeakPolarHBondContact CA-SG 3.41Å; C828-C843 HydrophobicContact CB-CB 3.76Å; C828-C843 WeakPolarHBondContact CB-SG 3.25Å; C828-C843 PolarHBondContact N-SG 3.36Å; C828-C843 WeakPolarHBondContact SG-CB 3.3Å; C828-C843 PolarHBondContact SG-O 3.38Å; C828-C843 CovalentContact SG-SG 2.05Å; C828-C843 PolarHBondContact SG-SG 3.22Å; L831-C843 HydrophobicContact CD1-CB 4Å; Q839-C843 WeakPolarHBondContact O-CB 3.42Å; Q839-C843 PolarHBondContact O-N 3.18Å; S840-C843 WeakPolarHBondContact O-CB 3.46Å; S840-C843 PolarHBondContact O-N 3.19Å; E841-C843 VanDerWaalsContact C-N 3.3Å; E841-C843 PolarHBondContact O-N 2.81Å; C843-E846 WeakPolarHBondContact O-CB 3.33Å; C843-E846 PolarHBondContact O-N 3.05Å; C843-A847 WeakPolarHBondContact O-CB 2.87Å; C843-A847 PolarHBondContact O-N 3.43Å
844L93.7Very high90.2Very high2 Ų263.7 Ų63.71%0.0134%0.337CS..Hα-helixtrans-67.6-39.3177.7-76.3169.3000111.5C828 S840 E841 S842 E846 A847 I848 L858 H861 L862 I865C828-L844 HydrophobicContact CB-CD2 3.82Å; C828-L844 HydrophobicContact CB-CG 3.77Å; C828-L844 PolarHBondContact SG-N 3.5Å; S840-L844 WeakPolarHBondContact O-CB 3.04Å; S840-L844 WeakPolarHBondContact O-CG 3.19Å; S840-L844 PolarHBondContact O-N 3.03Å; E841-L844 PolarHBondContact O-N 3.05Å; S842-L844 PolarHBondContact O-N 3.44Å; L844-E846 VanDerWaalsContact C-N 3.31Å; L844-E846 PolarHBondContact O-N 3.37Å; L844-A847 PolarHBondContact O-N 3.48Å; L844-I848 WeakPolarHBondContact O-CB 3.28Å; L844-I848 WeakPolarHBondContact O-CD1 3.34Å; L844-I848 WeakPolarHBondContact O-CG1 3.23Å; L844-I848 PolarHBondContact O-N 3.3Å; L844-L858 HydrophobicContact CD2-CD2 4.27Å; L844-H861 HydrophobicContact CD1-CB 4.18Å; L844-H861 HydrophobicContact CD2-CB 4.23Å; L844-L862 HydrophobicContact CB-CD1 3.9Å; L844-L862 HydrophobicContact CD1-CB 4.27Å; L844-L862 HydrophobicContact CD1-CD1 4.28Å; L844-I865 HydrophobicContact CD1-CB 4.4Å; L844-I865 HydrophobicContact CD1-CG1 3.81Å
845L93.9Very high89.7Confident78 Ų7864.9 Ų64.941%0.40834%0.343SS..Hα-helixtrans-61.7-40.8173.4-70.8171.9000111.5E841 S842 I848 A849 L862E841-L845 HydrophobicContact CG-CD1 4.33Å; E841-L845 WeakPolarHBondContact O-CG 3.38Å; E841-L845 PolarHBondContact O-N 2.95Å; S842-L845 PolarHBondContact O-N 3.12Å; L845-I848 PolarHBondContact O-N 2.6Å; L845-A849 WeakPolarHBondContact O-CB 3.46Å; L845-A849 PolarHBondContact O-N 3.42Å; L845-L862 HydrophobicContact CD2-CD1 4.47Å; L845-L862 HydrophobicContact CD2-CD2 4.04Å; L845-L862 HydrophobicContact CG-CD1 4.4Å
846E92.4Very high89.5Confident93 Ų9367.8 Ų67.844%0.43536%0.358SS..Hα-helixtrans-62.7-47.2172.4-71.9170.5-154.200111.5K824 S842 C843 L844 I848 A849 M850K824-E846 VanDerWaalsContact CE-OE2 3.31Å; K824-E846 WeakPolarHBondContact CE-OE2 3.39Å; K824-E846 IonicContact NZ-OE2 3.4Å; K824-E846 PolarHBondContact NZ-OE2 2.89Å; S842-E846 WeakPolarHBondContact O-CG 3.31Å; S842-E846 PolarHBondContact O-N 2.73Å; C843-E846 WeakPolarHBondContact O-CB 3.33Å; C843-E846 PolarHBondContact O-N 3.05Å; L844-E846 VanDerWaalsContact C-N 3.31Å; L844-E846 PolarHBondContact O-N 3.37Å; E846-I848 VanDerWaalsContact C-N 3.31Å; E846-I848 PolarHBondContact O-N 3.23Å; E846-A849 PolarHBondContact O-N 3.08Å; E846-A849 VanDerWaalsContact O-N 3.16Å; E846-M850 VanDerWaalsContact O-CG 3.29Å; E846-M850 WeakPolarHBondContact O-CG 3Å; E846-M850 PolarHBondContact O-N 2.86Å; E846-M850 VanDerWaalsContact O-N 3.07Å
847A91.5Very high89.3Confident0 Ų066.5 Ų66.50%035%0.353CS..Hα-helixtrans-59.9-40.9177.700000112.2K824 C843 L844 M850 L858K824-A847 HydrophobicContact CB-CB 4.37Å; K824-A847 HydrophobicContact CG-CB 3.72Å; C843-A847 WeakPolarHBondContact O-CB 2.87Å; C843-A847 PolarHBondContact O-N 3.43Å; L844-A847 PolarHBondContact O-N 3.48Å; A847-M850 WeakPolarHBondContact O-CB 3.47Å; A847-M850 PolarHBondContact O-N 3.04Å; A847-L858 HydrophobicContact CB-CD1 4.49Å; A847-L858 HydrophobicContact CB-CD2 4.26Å
848I91.9Very high89.2Confident26 Ų2666.1 Ų66.113%0.13335%0.352CS..Hα-helixtrans-64.2-41.6175.6-74.3165.1000110.8L844 L845 E846 M850 E851 P854 L858 L859 L862L844-I848 WeakPolarHBondContact O-CB 3.28Å; L844-I848 WeakPolarHBondContact O-CD1 3.34Å; L844-I848 WeakPolarHBondContact O-CG1 3.23Å; L844-I848 PolarHBondContact O-N 3.3Å; L845-I848 PolarHBondContact O-N 2.6Å; E846-I848 VanDerWaalsContact C-N 3.31Å; E846-I848 PolarHBondContact O-N 3.23Å; I848-M850 PolarHBondContact O-N 3.35Å; I848-E851 PolarHBondContact O-N 3.33Å; I848-E851 VanDerWaalsContact O-O 3.13Å; I848-P854 HydrophobicContact CG1-CB 4.37Å; I848-P854 HydrophobicContact CG2-CB 3.94Å; I848-P854 HydrophobicContact CG2-CG 3.67Å; I848-L858 HydrophobicContact CD1-CB 4.39Å; I848-L858 HydrophobicContact CG1-CB 3.85Å; I848-L858 HydrophobicContact CG1-CD1 4.21Å; I848-L859 HydrophobicContact CD1-CD2 3.99Å; I848-L862 HydrophobicContact CD1-CB 4.38Å; I848-L862 HydrophobicContact CD1-CD2 3.78Å
849A90.5Very high89.1Confident84 Ų8462.4 Ų62.469%0.69434%0.336SS*.Hα-helixtrans-69.2-19.7178.100000113.4L845 E846 E851L845-A849 WeakPolarHBondContact O-CB 3.46Å; L845-A849 PolarHBondContact O-N 3.42Å; E846-A849 PolarHBondContact O-N 3.08Å; E846-A849 VanDerWaalsContact O-N 3.16Å; A849-E851 VanDerWaalsContact C-N 3.25Å; A849-E851 PolarHBondContact O-N 2.79Å
850M88.2Confident89.1Confident69 Ų6962.7 Ų62.734%0.3434%0.337SS..THydrogen-bonded Turntrans-72.1-18.9174.6-67.5168.776.300112.7P818 I821 K824 E846 A847 I848P818-M850 WeakPolarHBondContact O-CE 3.5Å; I821-M850 HydrophobicContact CG1-CB 4.37Å; K824-M850 HydrophobicContact CB-SD 4.24Å; K824-M850 HydrophobicContact CD-SD 4.46Å; K824-M850 HydrophobicContact CG-SD 3.95Å; E846-M850 VanDerWaalsContact O-CG 3.29Å; E846-M850 WeakPolarHBondContact O-CG 3Å; E846-M850 PolarHBondContact O-N 2.86Å; E846-M850 VanDerWaalsContact O-N 3.07Å; A847-M850 WeakPolarHBondContact O-CB 3.47Å; A847-M850 PolarHBondContact O-N 3.04Å; I848-M850 PolarHBondContact O-N 3.35Å
851E83.2Confident89Confident32 Ų3265.7 Ų65.715%0.1535%0.351CS..SBendtrans-108.9135178.9-71.3-169.2124.100112.3I821 I848 A849 K853 Q855I821-E851 HydrophobicContact CD1-CG 3.36Å; I821-E851 HydrophobicContact CG1-CG 3.98Å; I821-E851 HydrophobicContact CG2-CG 4.45Å; I848-E851 PolarHBondContact O-N 3.33Å; I848-E851 VanDerWaalsContact O-O 3.13Å; A849-E851 VanDerWaalsContact C-N 3.25Å; A849-E851 PolarHBondContact O-N 2.79Å; E851-K853 PolarHBondContact O-N 3.31Å; E851-Q855 PolarHBondContact OE1-NE2 2.7Å; E851-Q855 WeakPolarHBondContact OE2-CG 3.02Å; E851-Q855 PolarHBondContact OE2-N 2.88Å; E851-Q855 VanDerWaalsContact OE2-N 3.13Å
852P81.5Confident88.9Confident142 Ų14264 Ų6492%0.92234%0.343SS*.SBendtrans-66.2-23.2172.211-9.9000112.8
853K83.2Confident88.8Confident182 Ų18267.7 Ų67.779%0.79135%0.354SS*.SBendtrans-137.298.8176.9-147.9-179.6-170.3-177.90108E851 Q855E851-K853 PolarHBondContact O-N 3.31Å; K853-Q855 PolarHBondContact O-N 2.99Å
854P77.9Confident88.7Confident46 Ų4672 Ų7230%0.29938%0.376SS..  trans-61.6134.7-171.7-20.130.3000111.5I848 L859I848-P854 HydrophobicContact CG1-CB 4.37Å; I848-P854 HydrophobicContact CG2-CB 3.94Å; I848-P854 HydrophobicContact CG2-CG 3.67Å; P854-L859 HydrophobicContact CB-CD1 4.46Å; P854-L859 HydrophobicContact CB-CD2 4.42Å; P854-L859 HydrophobicContact CB-CG 4.34Å
855Q81.5Confident88.6Confident84 Ų8472.4 Ų72.439%0.39338%0.378SS..  trans-65.7140.9174.7-68.2178.952.400111.8E851 K853 H857 L858E851-Q855 PolarHBondContact OE1-NE2 2.7Å; E851-Q855 WeakPolarHBondContact OE2-CG 3.02Å; E851-Q855 PolarHBondContact OE2-N 2.88Å; E851-Q855 VanDerWaalsContact OE2-N 3.13Å; K853-Q855 PolarHBondContact O-N 2.99Å; Q855-H857 VanDerWaalsContact CB-CE1 3.49Å; Q855-H857 WeakPolarHBondContact CB-CE1 3.47Å; Q855-H857 WeakPolarHBondContact CB-ND1 3.34Å; Q855-H857 PolarHBondContact O-N 2.8Å; Q855-H857 VanDerWaalsContact O-N 3.08Å; Q855-H857 PolarHBondContact OE1-CE1 2.66Å; Q855-H857 PolarHBondContact OE1-ND1 3.37Å; Q855-L858 WeakPolarHBondContact O-CB 3.37Å; Q855-L858 PolarHBondContact O-N 2.99Å
856N85.3Confident88.5Confident126 Ų12674.2 Ų74.267%0.67438%0.379SS*.Hα-helixtrans-53.3-34.6-177.7-79.3-8.1000113.4L858 L859 Q860N856-L858 VanDerWaalsContact C-N 3.32Å; N856-L858 PolarHBondContact O-N 3.22Å; N856-L859 PolarHBondContact O-N 3.47Å; N856-Q860 WeakPolarHBondContact O-CB 3.36Å; N856-Q860 VanDerWaalsContact O-CG 3.31Å; N856-Q860 WeakPolarHBondContact O-CG 3.32Å; N856-Q860 PolarHBondContact O-N 3.48Å
857H87.6Confident88.4Confident52 Ų5271.7 Ų71.724%0.24138%0.378CS..Hα-helixtrans-66.8-32.3-17973.2-102.4000112.5H825 Q855 H861H825-H857 AromaticContact CE1-CD2 3.44Å; H825-H857 PolarHBondContact CE1-CD2 2.85Å; H825-H857 VanDerWaalsContact CE1-CD2 3.44Å; H825-H857 AromaticContact CE1-NE2 3.84Å; H825-H857 AromaticContact CG-NE2 3.9Å; H825-H857 AromaticContact ND1-CD2 3.82Å; H825-H857 AromaticContact ND1-NE2 3.73Å; H825-H857 AromaticContact NE2-CD2 3.53Å; Q855-H857 VanDerWaalsContact CB-CE1 3.49Å; Q855-H857 WeakPolarHBondContact CB-CE1 3.47Å; Q855-H857 WeakPolarHBondContact CB-ND1 3.34Å; Q855-H857 PolarHBondContact O-N 2.8Å; Q855-H857 VanDerWaalsContact O-N 3.08Å; Q855-H857 PolarHBondContact OE1-CE1 2.66Å; Q855-H857 PolarHBondContact OE1-ND1 3.37Å; H857-H861 WeakPolarHBondContact O-CB 3Å; H857-H861 PolarHBondContact O-N 3.29Å
858L89Confident88.3Confident0 Ų075.5 Ų75.50%039%0.393CS..Hα-helixtrans-67.6-44175.8-66.3176.5000110.9I821 H825 L844 A847 I848 Q855 N856 H861 L862I821-L858 HydrophobicContact CG2-CD1 4.36Å; H825-L858 HydrophobicContact CB-CD2 3.84Å; H825-L858 WeakPolarHBondContact CD2-CD2 3.32Å; L844-L858 HydrophobicContact CD2-CD2 4.27Å; A847-L858 HydrophobicContact CB-CD1 4.49Å; A847-L858 HydrophobicContact CB-CD2 4.26Å; I848-L858 HydrophobicContact CD1-CB 4.39Å; I848-L858 HydrophobicContact CG1-CB 3.85Å; I848-L858 HydrophobicContact CG1-CD1 4.21Å; Q855-L858 WeakPolarHBondContact O-CB 3.37Å; Q855-L858 PolarHBondContact O-N 2.99Å; N856-L858 VanDerWaalsContact C-N 3.32Å; N856-L858 PolarHBondContact O-N 3.22Å; L858-H861 PolarHBondContact O-N 3.41Å; L858-L862 WeakPolarHBondContact O-CB 3.38Å; L858-L862 PolarHBondContact O-N 2.9Å
859L91.2Very high88.1Confident73 Ų7376.2 Ų76.238%0.38240%0.397SS..Hα-helixtrans-65.4-43.7178.3-64.6173.3000111.3I848 P854 N856 L862 E863I848-L859 HydrophobicContact CD1-CD2 3.99Å; P854-L859 HydrophobicContact CB-CD1 4.46Å; P854-L859 HydrophobicContact CB-CD2 4.42Å; P854-L859 HydrophobicContact CB-CG 4.34Å; N856-L859 PolarHBondContact O-N 3.47Å; L859-L862 WeakPolarHBondContact O-CB 3.28Å; L859-L862 PolarHBondContact O-N 2.81Å; L859-E863 WeakPolarHBondContact O-CG 3.27Å; L859-E863 PolarHBondContact O-N 2.83Å
860Q91Very high87.8Confident115 Ų11577.9 Ų77.954%0.53739%0.39SS..Hα-helixtrans-61.7-44.8174.9-73.8174.6-500111.8N856 L862 E863 I864N856-Q860 WeakPolarHBondContact O-CB 3.36Å; N856-Q860 VanDerWaalsContact O-CG 3.31Å; N856-Q860 WeakPolarHBondContact O-CG 3.32Å; N856-Q860 PolarHBondContact O-N 3.48Å; Q860-L862 VanDerWaalsContact C-N 3.33Å; Q860-L862 PolarHBondContact O-N 3.31Å; Q860-E863 PolarHBondContact O-N 3.01Å; Q860-I864 VanDerWaalsContact O-CG1 3.27Å; Q860-I864 WeakPolarHBondContact O-CG1 3.08Å; Q860-I864 PolarHBondContact O-N 3.07Å
861H92.1Very high87.4Confident64 Ų6479.2 Ų79.230%0.29641%0.406SS..Hα-helixtrans-61.9-41.7174.3-82.4-157.3000111.4H825 V829 L844 H857 L858 E863 I864 I865H825-H861 AromaticContact CD2-ND1 3.9Å; H825-H861 AromaticContact CE1-CE1 3.67Å; H825-H861 AromaticContact CE1-ND1 3.69Å; H825-H861 AromaticContact NE2-CE1 3.36Å; H825-H861 PolarHBondContact NE2-CE1 3.14Å; H825-H861 AromaticContact NE2-CG 3.72Å; H825-H861 AromaticContact NE2-ND1 2.91Å; H825-H861 PolarHBondContact NE2-ND1 2.64Å; V829-H861 WeakPolarHBondContact CG2-ND1 3.46Å; L844-H861 HydrophobicContact CD1-CB 4.18Å; L844-H861 HydrophobicContact CD2-CB 4.23Å; H857-H861 WeakPolarHBondContact O-CB 3Å; H857-H861 PolarHBondContact O-N 3.29Å; L858-H861 PolarHBondContact O-N 3.41Å; H861-E863 VanDerWaalsContact C-N 3.34Å; H861-E863 PolarHBondContact O-N 3.11Å; H861-I864 WeakPolarHBondContact O-CB 3.31Å; H861-I864 PolarHBondContact O-N 3.45Å; H861-I865 VanDerWaalsContact O-CG1 3.32Å; H861-I865 WeakPolarHBondContact O-CG1 3.21Å; H861-I865 PolarHBondContact O-N 3.13Å
862L92.6Very high86.8Confident10 Ų1084.7 Ų84.75%0.05243%0.425CS..Hα-helixtrans-60.7-43.1176.3-175.669.9000111.7E841 L844 L845 I848 L858 L859 Q860 I865 R866E841-L862 HydrophobicContact CG-CD1 3.79Å; L844-L862 HydrophobicContact CB-CD1 3.9Å; L844-L862 HydrophobicContact CD1-CB 4.27Å; L844-L862 HydrophobicContact CD1-CD1 4.28Å; L845-L862 HydrophobicContact CD2-CD1 4.47Å; L845-L862 HydrophobicContact CD2-CD2 4.04Å; L845-L862 HydrophobicContact CG-CD1 4.4Å; I848-L862 HydrophobicContact CD1-CB 4.38Å; I848-L862 HydrophobicContact CD1-CD2 3.78Å; L858-L862 WeakPolarHBondContact O-CB 3.38Å; L858-L862 PolarHBondContact O-N 2.9Å; L859-L862 WeakPolarHBondContact O-CB 3.28Å; L859-L862 PolarHBondContact O-N 2.81Å; Q860-L862 VanDerWaalsContact C-N 3.33Å; Q860-L862 PolarHBondContact O-N 3.31Å; L862-I865 PolarHBondContact O-N 2.87Å; L862-R866 WeakPolarHBondContact O-CB 3.5Å; L862-R866 WeakPolarHBondContact O-CG 3.28Å; L862-R866 PolarHBondContact O-N 2.84Å
863E92.7Very high85.6Confident138 Ų13879.6 Ų79.665%0.64540%0.399SS*.Hα-helixtrans-61.5-42174.5-75179.5176.800112.1L859 Q860 H861 R866 G867L859-E863 WeakPolarHBondContact O-CG 3.27Å; L859-E863 PolarHBondContact O-N 2.83Å; Q860-E863 PolarHBondContact O-N 3.01Å; H861-E863 VanDerWaalsContact C-N 3.34Å; H861-E863 PolarHBondContact O-N 3.11Å; E863-R866 PolarHBondContact O-N 3.05Å; E863-G867 PolarHBondContact O-N 3.14Å
864I91.9Very high83.6Confident97 Ų9780.7 Ų80.750%0.49740%0.398SS..Hα-helixtrans-61.7-46.7175.4-68.1163.9000110.7Q860 H861 G867 R868Q860-I864 VanDerWaalsContact O-CG1 3.27Å; Q860-I864 WeakPolarHBondContact O-CG1 3.08Å; Q860-I864 PolarHBondContact O-N 3.07Å; H861-I864 WeakPolarHBondContact O-CB 3.31Å; H861-I864 PolarHBondContact O-N 3.45Å; I864-G867 PolarHBondContact O-N 3.24Å; I864-R868 WeakPolarHBondContact O-CG 3.1Å; I864-R868 PolarHBondContact O-N 2.77Å
865I91.8Very high82Confident9 Ų987 Ų875%0.04642%0.423CS..Hα-helixtrans-64.7-44179-63.1-52.8000111.2A832 L837 E841 L844 H861 L862 G867 R868 L869A832-I865 HydrophobicContact CB-CD1 3.31Å; A832-I865 HydrophobicContact CB-CG1 4.43Å; L837-I865 HydrophobicContact CB-CG2 4.35Å; L837-I865 HydrophobicContact CD2-CD1 4.13Å; L837-I865 WeakPolarHBondContact O-CG2 3.37Å; E841-I865 HydrophobicContact CB-CG2 4.16Å; L844-I865 HydrophobicContact CD1-CB 4.4Å; L844-I865 HydrophobicContact CD1-CG1 3.81Å; H861-I865 VanDerWaalsContact O-CG1 3.32Å; H861-I865 WeakPolarHBondContact O-CG1 3.21Å; H861-I865 PolarHBondContact O-N 3.13Å; L862-I865 PolarHBondContact O-N 2.87Å; I865-G867 VanDerWaalsContact C-N 3.31Å; I865-G867 PolarHBondContact O-N 3.27Å; I865-R868 PolarHBondContact O-N 2.99Å; I865-L869 HydrophobicContact CG2-CD1 4.08Å; I865-L869 WeakPolarHBondContact O-CG 2.98Å; I865-L869 PolarHBondContact O-N 3.41Å
866R92.1Very high80.1Confident116 Ų11688.1 Ų88.144%0.43844%0.436SS..Hα-helixtrans-62.5-37.9174.2-76.1177.4169.1170.3-0.4112.3E841 L862 E863 L869 H870E841-R866 IonicContact OE1-CZ 3.47Å; E841-R866 IonicContact OE1-NE 2.79Å; E841-R866 PolarHBondContact OE1-NE 2.98Å; E841-R866 IonicContact OE1-NH2 3.24Å; E841-R866 PolarHBondContact OE1-NH2 2.96Å; L862-R866 WeakPolarHBondContact O-CB 3.5Å; L862-R866 WeakPolarHBondContact O-CG 3.28Å; L862-R866 PolarHBondContact O-N 2.84Å; E863-R866 PolarHBondContact O-N 3.05Å; R866-L869 PolarHBondContact O-N 3.41Å; R866-H870 VanDerWaalsContact O-CB 3.3Å; R866-H870 WeakPolarHBondContact O-CB 3.42Å; R866-H870 PolarHBondContact O-N 3.29Å
867G89.1Confident77.7Confident40 Ų4091.9 Ų91.941%0.41244%0.442SS..Hα-helixtrans-61.6-45.5172.100000112.3E863 I864 I865 H870 S871E863-G867 PolarHBondContact O-N 3.14Å; I864-G867 PolarHBondContact O-N 3.24Å; I865-G867 VanDerWaalsContact C-N 3.31Å; I865-G867 PolarHBondContact O-N 3.27Å; G867-H870 PolarHBondContact O-N 2.94Å; G867-S871 WeakPolarHBondContact O-CB 3.43Å; G867-S871 PolarHBondContact O-N 3.43Å; G867-S871 PolarHBondContact O-OG 3.1Å
868R89.3Confident75.2Confident80 Ų8096.5 Ų96.530%0.30247%0.474SS..Hα-helixtrans-64.5-38.6175.2-73.417765.7-178.5-4.4112.7A832 D835 L837 I864 I865 S871 R872A832-R868 PolarHBondContact O-NH1 2.93Å; A832-R868 PolarHBondContact O-NH2 3.41Å; A832-R868 VanDerWaalsContact O-NH2 3.07Å; D835-R868 IonicContact OD1-NH2 3.95Å; D835-R868 PolarHBondContact OD1-NH2 3.21Å; L837-R868 HydrophobicContact CD1-CB 3.82Å; L837-R868 HydrophobicContact CD2-CB 4.37Å; I864-R868 WeakPolarHBondContact O-CG 3.1Å; I864-R868 PolarHBondContact O-N 2.77Å; I865-R868 PolarHBondContact O-N 2.99Å; R868-S871 WeakPolarHBondContact CA-OG 3.39Å; R868-S871 PolarHBondContact O-OG 2.89Å; R868-S871 VanDerWaalsContact O-OG 3.04Å; R868-R872 WeakPolarHBondContact O-CG 3.37Å; R868-R872 PolarHBondContact O-N 3.08Å
869L87.9Confident72.6Confident42 Ų42105.1 Ų105.122%0.2251%0.511CS..Hα-helixtrans-64.1-44.8173.1-77.3165.6000110.8L837 E838 E841 I865 R866 R872 G873L837-L869 HydrophobicContact CB-CD1 4.41Å; L837-L869 HydrophobicContact CB-CD2 3.49Å; L837-L869 VanDerWaalsContact CB-CD2 3.49Å; L837-L869 HydrophobicContact CB-CG 3.77Å; L837-L869 HydrophobicContact CD1-CD2 4.2Å; L837-L869 HydrophobicContact CD1-CG 4.29Å; E838-L869 HydrophobicContact CG-CD2 4.07Å; E841-L869 HydrophobicContact CB-CD1 4.23Å; E841-L869 VanDerWaalsContact OE2-CD1 3.27Å; E841-L869 WeakPolarHBondContact OE2-CD1 3.45Å; I865-L869 HydrophobicContact CG2-CD1 4.08Å; I865-L869 WeakPolarHBondContact O-CG 2.98Å; I865-L869 PolarHBondContact O-N 3.41Å; R866-L869 PolarHBondContact O-N 3.41Å; L869-R872 PolarHBondContact O-N 2.93Å; L869-G873 PolarHBondContact O-N 3.04Å
870H85.2Confident69.9Low119 Ų119109.3 Ų109.355%0.55153%0.533SS*.Hα-helixtrans-64.2-41.9178.9-170.9-89.9000112.2R866 G867 R872 G873R866-H870 VanDerWaalsContact O-CB 3.3Å; R866-H870 WeakPolarHBondContact O-CB 3.42Å; R866-H870 PolarHBondContact O-N 3.29Å; G867-H870 PolarHBondContact O-N 2.94Å; H870-R872 VanDerWaalsContact C-N 3.32Å; H870-R872 PolarHBondContact O-N 3.14Å; H870-G873 PolarHBondContact O-N 3.2Å
871S80.3Confident67.1Low96 Ų96113.3 Ų113.367%0.67155%0.549SS*.Hα-helixtrans-69.9-24.9178.765.10000113.7G867 R868G867-S871 WeakPolarHBondContact O-CB 3.43Å; G867-S871 PolarHBondContact O-N 3.43Å; G867-S871 PolarHBondContact O-OG 3.1Å; R868-S871 WeakPolarHBondContact CA-OG 3.39Å; R868-S871 PolarHBondContact O-OG 2.89Å; R868-S871 VanDerWaalsContact O-OG 3.04Å
872R70.5Confident64.3Low147 Ų147117.2 Ų117.256%0.55557%0.572SS**Hα-helixtrans-77-20174.6-81.7177.7171.5-147.1-17.4115.1D835 R868 L869 H870D835-R872 IonicContact OD1-CZ 3.07Å; D835-R872 IonicContact OD1-NE 2.95Å; D835-R872 IonicContact OD1-NH1 2.7Å; D835-R872 PolarHBondContact OD1-NH1 2.9Å; D835-R872 IonicContact OD1-NH2 2.65Å; D835-R872 PolarHBondContact OD1-NH2 3.46Å; D835-R872 IonicContact OD2-CZ 2.65Å; D835-R872 IonicContact OD2-NH1 2.73Å; D835-R872 PolarHBondContact OD2-NH1 3.27Å; D835-R872 IonicContact OD2-NH2 2.97Å; D835-R872 PolarHBondContact OD2-NH2 3.11Å; R868-R872 WeakPolarHBondContact O-CG 3.37Å; R868-R872 PolarHBondContact O-N 3.08Å; L869-R872 PolarHBondContact O-N 2.93Å; H870-R872 VanDerWaalsContact C-N 3.32Å; H870-R872 PolarHBondContact O-N 3.14Å
873G55.6Low61.6Low36 Ų36123.5 Ų123.537%0.37161%0.611SS.*Hα-helixtrans142.898.2171.200000114.1L869 H870 H875L869-G873 PolarHBondContact O-N 3.04Å; H870-G873 PolarHBondContact O-N 3.2Å; G873-H875 VanDerWaalsContact CA-N 3.29Å
874R40.6Very low58.8Low204 Ų204128.1 Ų128.177%0.7764%0.64SS**SBend-77.931.9125.8-97.4-173.5-168.9175.45.2112.6
875H45Very low57.1Low178 Ų178129.7 Ų129.782%0.82465%0.647SS**SBendtrans-101.159.4152.2-81.5-35.4000109.7G873G873-H875 VanDerWaalsContact CA-N 3.29Å
876T41.5Very low55.3Low108 Ų108136.1 Ų136.166%0.66368%0.678SS**SBendtrans171.2143.9145.530.10000106.5
877Y35.1Very low53.2Low206 Ų206137.2 Ų137.281%0.80869%0.692SS**  trans88.346.4-172-59.6-81.1000118.3K879Y877-K879 VanDerWaalsContact C-N 3.28Å
878T34.8Very low51.1Low148 Ų148142.9 Ų142.991%0.90871%0.708SS**  -83.478.8129.235.20000109.1
879K34.3Very low48.8Very low182 Ų182146.8 Ų146.879%0.79173%0.734SS**  trans-166.180.6158.3-109.5-176.7-173.7-178.10107.6Y877Y877-K879 VanDerWaalsContact C-N 3.28Å
880L35.1Very low46.1Very low160 Ų160153.8 Ų153.884%0.83877%0.768SS**  trans-170.352.2153.5-96160.9000107.6
881K31Very low43.4Very low199 Ų199156.3 Ų156.387%0.86578%0.783SS**  trans-95.799.7145.7-89.3-171.5174.9-176.30104.5
882N32.9Very low40.5Very low146 Ų146160.9 Ų160.978%0.78179%0.792SS**  trans165.680.6156.5-84.9-7.3000108.2
883V37.6Very low38Very low143 Ų143162.1 Ų162.187%0.86781%0.812SS**  trans-154.7130.7131-175.20000105.4
884N32.5Very low36.4Very low235 Ų235173.5 Ų173.5100%1.25785%0.852SS**  trans-45.90-174.8-69.5-33.8000115.7

Retrieved 884 of 884 residues in 225.7 ms (Link to these results)

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