A0A3Q0KN40_SCHMA Loading...

DUF4509 domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KN40, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,286 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
1M31.1Very low44.2Very low155 Ų15579.4 Ų79.476%0.76443%0.434SS*.  079.40-74.4179.5166.800111.4L3 D326M1-L3 PolarHBondContact O-N 3.17Å; M1-D326 VanDerWaalsContact C-OD2 3.29Å; M1-D326 WeakPolarHBondContact CA-OD2 3.44Å; M1-D326 VanDerWaalsContact N-CG 3.35Å; M1-D326 PolarHBondContact N-OD2 3.4Å
2A31.3Very low45Very low49 Ų4982.7 Ų82.741%0.40545%0.445SS..  trans-69.68917500000112.9D4 N5 D326A2-D4 VanDerWaalsContact C-N 3.35Å; A2-N5 PolarHBondContact O-ND2 3.05Å; A2-D326 PolarHBondContact N-OD2 2.96Å
3L47Very low45.3Very low38 Ų3882.2 Ų82.220%0.19945%0.451CS..  trans-78.2-23.8160.7-104159.5000111.7M1 N5 W61 V65 L68 Y88 C91M1-L3 PolarHBondContact O-N 3.17Å; L3-N5 PolarHBondContact O-N 2.83Å; L3-W61 HydrophobicContact CD2-CZ2 4.48Å; L3-V65 HydrophobicContact CD2-CG2 4.03Å; L3-L68 HydrophobicContact CD1-CD1 4.1Å; L3-L68 HydrophobicContact CG-CD1 4.47Å; L3-Y88 HydrophobicContact CD1-CD1 3.7Å; L3-Y88 HydrophobicContact CD1-CE1 3.75Å; L3-C91 HydrophobicContact CD2-CB 4.29Å
4D42.7Very low45.8Very low92 Ų9277.7 Ų77.749%0.49243%0.425SS..  trans-72.132.8171.9-73.9-4.7000113.5A2 I6 Q329A2-D4 VanDerWaalsContact C-N 3.35Å; D4-I6 PolarHBondContact O-N 3.31Å; D4-Q329 PolarHBondContact OD2-NE2 3.05Å
5N46.3Very low46.4Very low113 Ų11375.4 Ų75.460%0.60441%0.412SS*.  trans-63.7113.7171-87.1-48.1000109.1A2 L3A2-N5 PolarHBondContact O-ND2 3.05Å; L3-N5 PolarHBondContact O-N 2.83Å
6I47.7Very low47.4Very low117 Ų11776.2 Ų76.260%0.642%0.416SS*.  trans-39.3128.8169.8-63168000108.3D4 L8 L10D4-I6 PolarHBondContact O-N 3.31Å; I6-L8 PolarHBondContact O-N 2.99Å; I6-L10 HydrophobicContact CG2-CB 4.23Å
7P47.4Very low47.8Very low48 Ų4877.1 Ų77.131%0.31242%0.419SS..  trans-47.6121.3-176.7-29.534.2000110L9 L10P7-L9 PolarHBondContact O-N 3.02Å; P7-L10 HydrophobicContact CB-CD1 4.37Å; P7-L10 HydrophobicContact CG-CD1 4.38Å; P7-L10 WeakPolarHBondContact O-CB 3.29Å; P7-L10 PolarHBondContact O-N 3.25Å
8L47.6Very low48.3Very low86 Ų8676.1 Ų76.145%0.4541%0.408SS..G310 helixtrans-60.5-29.3-164.3-133.5155.4000110.5I6 L10 T11 F14I6-L8 PolarHBondContact O-N 2.99Å; L8-L10 PolarHBondContact O-N 3.29Å; L8-T11 PolarHBondContact O-N 2.86Å; L8-T11 PolarHBondContact O-OG1 3.37Å; L8-T11 VanDerWaalsContact O-OG1 3.08Å; L8-F14 HydrophobicContact CD2-CB 4.09Å; L8-F14 HydrophobicContact CD2-CD2 4.37Å; L8-F14 WeakPolarHBondContact O-CB 3.34Å
9L45.3Very low49.1Very low13 Ų1375.9 Ų75.97%0.06841%0.408CS..G310 helixtrans-53.4-9.6168.3-57.2111.9000117.2P7 F14 L54 E57P7-L9 PolarHBondContact O-N 3.02Å; L9-F14 HydrophobicContact CB-CD1 4.37Å; L9-F14 HydrophobicContact CB-CE1 4.25Å; L9-F14 HydrophobicContact CD2-CE1 3.9Å; L9-F14 HydrophobicContact CD2-CE2 4.42Å; L9-F14 HydrophobicContact CD2-CZ 3.69Å; L9-F14 HydrophobicContact CG-CE1 4.04Å; L9-F14 HydrophobicContact CG-CE2 4.16Å; L9-F14 HydrophobicContact CG-CZ 3.85Å; L9-L54 HydrophobicContact CD1-CD1 3.67Å; L9-L54 HydrophobicContact CD2-CD1 4.04Å; L9-E57 WeakPolarHBondContact CD1-OE2 3.48Å
10L47.2Very low49.7Very low121 Ų12177.8 Ų77.863%0.63441%0.413SS*.G310 helixtrans-108.6-12174.5-69.5170.6000113.5I6 P7 L8I6-L10 HydrophobicContact CG2-CB 4.23Å; P7-L10 HydrophobicContact CB-CD1 4.37Å; P7-L10 HydrophobicContact CG-CD1 4.38Å; P7-L10 WeakPolarHBondContact O-CB 3.29Å; P7-L10 PolarHBondContact O-N 3.25Å; L8-L10 PolarHBondContact O-N 3.29Å
11T53.2Low49.9Very low41 Ų4176 Ų7625%0.25241%0.407SS..SBendtrans-74.4143.4175.7730000110L8 S13 F14 L15L8-T11 PolarHBondContact O-N 2.86Å; L8-T11 PolarHBondContact O-OG1 3.37Å; L8-T11 VanDerWaalsContact O-OG1 3.08Å; T11-S13 PolarHBondContact O-N 3.49Å; T11-S13 PolarHBondContact OG1-OG 3.33Å; T11-F14 PolarHBondContact O-N 3.48Å; T11-F14 PolarHBondContact OG1-N 2.94Å; T11-L15 WeakPolarHBondContact O-CG 3.31Å; T11-L15 PolarHBondContact O-N 3.32Å; T11-L15 VanDerWaalsContact O-N 3.13Å
12Q53.4Low51.3Low119 Ų11969.7 Ų69.756%0.55638%0.375SS*.Hα-helixtrans-55.6-38.9178.2-171.7594400111.4F14 L15 D16Q12-F14 VanDerWaalsContact C-N 3.33Å; Q12-F14 PolarHBondContact O-N 2.88Å; Q12-L15 WeakPolarHBondContact O-CA 3.23Å; Q12-L15 WeakPolarHBondContact O-CB 3.32Å; Q12-L15 PolarHBondContact O-N 3.5Å; Q12-D16 PolarHBondContact NE2-OD1 3.27Å; Q12-D16 WeakPolarHBondContact O-CB 3.47Å; Q12-D16 PolarHBondContact O-N 3.31Å
13S48.4Very low52.7Low76 Ų7669.9 Ų69.953%0.53137%0.373SS..Hα-helixtrans-57.6-36.4175.348.70000114.6T11 L17T11-S13 PolarHBondContact O-N 3.49Å; T11-S13 PolarHBondContact OG1-OG 3.33Å; S13-L17 VanDerWaalsContact O-CB 3.28Å; S13-L17 WeakPolarHBondContact O-CB 3.44Å; S13-L17 PolarHBondContact O-N 3.28Å
14F52.3Low53.1Low20 Ų2072.4 Ų72.49%0.08839%0.387CS..Hα-helixtrans-74.4-39.5172.1-174.6-80.2000111.5L8 L9 T11 Q12 D16 L17 R18 L53L8-F14 HydrophobicContact CD2-CB 4.09Å; L8-F14 HydrophobicContact CD2-CD2 4.37Å; L8-F14 WeakPolarHBondContact O-CB 3.34Å; L9-F14 HydrophobicContact CB-CD1 4.37Å; L9-F14 HydrophobicContact CB-CE1 4.25Å; L9-F14 HydrophobicContact CD2-CE1 3.9Å; L9-F14 HydrophobicContact CD2-CE2 4.42Å; L9-F14 HydrophobicContact CD2-CZ 3.69Å; L9-F14 HydrophobicContact CG-CE1 4.04Å; L9-F14 HydrophobicContact CG-CE2 4.16Å; L9-F14 HydrophobicContact CG-CZ 3.85Å; T11-F14 PolarHBondContact O-N 3.48Å; T11-F14 PolarHBondContact OG1-N 2.94Å; Q12-F14 VanDerWaalsContact C-N 3.33Å; Q12-F14 PolarHBondContact O-N 2.88Å; F14-D16 VanDerWaalsContact C-N 3.28Å; F14-D16 PolarHBondContact O-N 2.9Å; F14-L17 PolarHBondContact O-N 3.4Å; F14-R18 HydrophobicContact CD1-CB 4.15Å; F14-R18 HydrophobicContact CE1-CB 4.08Å; F14-R18 HydrophobicContact CE1-CG 4.27Å; F14-R18 WeakPolarHBondContact O-CB 3.38Å; F14-R18 PolarHBondContact O-N 3.15Å; F14-L53 HydrophobicContact CZ-CB 4.31Å; F14-L53 HydrophobicContact CZ-CD1 4.21Å
15L55.7Low53.6Low43 Ų4370.3 Ų70.323%0.22537%0.374CS..Hα-helixtrans-59.1-43.9176.9-57.6176.7000110.6T11 Q12 D19T11-L15 WeakPolarHBondContact O-CG 3.31Å; T11-L15 PolarHBondContact O-N 3.32Å; T11-L15 VanDerWaalsContact O-N 3.13Å; Q12-L15 WeakPolarHBondContact O-CA 3.23Å; Q12-L15 WeakPolarHBondContact O-CB 3.32Å; Q12-L15 PolarHBondContact O-N 3.5Å; L15-D19 WeakPolarHBondContact O-CB 3.49Å; L15-D19 PolarHBondContact O-N 3.4Å
16D61.5Low54Low88 Ų8865.7 Ų65.747%0.47135%0.353SS..Hα-helixtrans-64.9-52.9177.1-62.3-25.7000111.4Q12 F14 R18 D19 E20Q12-D16 PolarHBondContact NE2-OD1 3.27Å; Q12-D16 WeakPolarHBondContact O-CB 3.47Å; Q12-D16 PolarHBondContact O-N 3.31Å; F14-D16 VanDerWaalsContact C-N 3.28Å; F14-D16 PolarHBondContact O-N 2.9Å; D16-R18 VanDerWaalsContact C-N 3.32Å; D16-R18 PolarHBondContact O-N 2.92Å; D16-D19 CarbonylContact O-C 3.55Å; D16-D19 PolarHBondContact O-N 3.28Å; D16-D19 VanDerWaalsContact O-N 3.15Å; D16-E20 WeakPolarHBondContact O-CB 3.45Å; D16-E20 PolarHBondContact O-N 3.31Å
17L54.2Low54.5Low91 Ų9166.3 Ų66.348%0.47635%0.352SS..Hα-helixtrans-59.9-42178.5-179.367.6000111.9S13 F14 D19 E20 C21S13-L17 VanDerWaalsContact O-CB 3.28Å; S13-L17 WeakPolarHBondContact O-CB 3.44Å; S13-L17 PolarHBondContact O-N 3.28Å; F14-L17 PolarHBondContact O-N 3.4Å; L17-D19 VanDerWaalsContact C-N 3.34Å; L17-D19 PolarHBondContact O-N 3.49Å; L17-E20 PolarHBondContact O-N 2.84Å; L17-C21 WeakPolarHBondContact O-CB 3.28Å; L17-C21 PolarHBondContact O-N 3.37Å; L17-C21 PolarHBondContact O-SG 3.36Å
18R57.7Low54.6Low60 Ų6074 Ų7423%0.22638%0.375CS..Hα-helixtrans-60.9-43.3175.8177.9-155.575-164.7-6.7111.2F14 D16 C21 Y22F14-R18 HydrophobicContact CD1-CB 4.15Å; F14-R18 HydrophobicContact CE1-CB 4.08Å; F14-R18 HydrophobicContact CE1-CG 4.27Å; F14-R18 WeakPolarHBondContact O-CB 3.38Å; F14-R18 PolarHBondContact O-N 3.15Å; D16-R18 VanDerWaalsContact C-N 3.32Å; D16-R18 PolarHBondContact O-N 2.92Å; R18-C21 WeakPolarHBondContact O-CB 3.39Å; R18-C21 PolarHBondContact O-N 2.96Å; R18-Y22 WeakPolarHBondContact CD-OH 3.49Å; R18-Y22 HydrophobicContact CG-CD2 4.4Å; R18-Y22 HydrophobicContact CG-CE1 4.2Å; R18-Y22 HydrophobicContact CG-CE2 3.59Å; R18-Y22 VanDerWaalsContact CG-CZ 3.46Å; R18-Y22 WeakPolarHBondContact CG-OH 3.26Å; R18-Y22 WeakPolarHBondContact O-CD2 3.46Å; R18-Y22 VanDerWaalsContact O-CG 3.23Å; R18-Y22 PolarHBondContact O-N 2.97Å
19D63.2Low54.7Low73 Ų7373.8 Ų73.839%0.3937%0.37SS..Hα-helixtrans-78.6-26.5-178.9-67.7-10.1000112.1L15 D16 L17 Y22 S23L15-D19 WeakPolarHBondContact O-CB 3.49Å; L15-D19 PolarHBondContact O-N 3.4Å; D16-D19 CarbonylContact O-C 3.55Å; D16-D19 PolarHBondContact O-N 3.28Å; D16-D19 VanDerWaalsContact O-N 3.15Å; L17-D19 VanDerWaalsContact C-N 3.34Å; L17-D19 PolarHBondContact O-N 3.49Å; D19-Y22 HydrophobicContact CB-CD2 4.49Å; D19-Y22 PolarHBondContact O-N 3.41Å; D19-Y22 WeakPolarHBondContact OD1-CD2 3.27Å; D19-Y22 WeakPolarHBondContact OD1-CE2 3.47Å; D19-S23 WeakPolarHBondContact O-CB 3.49Å; D19-S23 PolarHBondContact O-N 2.89Å
20E61.8Low55.1Low112 Ų11277.7 Ų77.752%0.52340%0.398SS..Hα-helixtrans-64.7-46.7163.6-176.9174.1-155.600111.3D16 L17 Y22 S23 L24D16-E20 WeakPolarHBondContact O-CB 3.45Å; D16-E20 PolarHBondContact O-N 3.31Å; L17-E20 PolarHBondContact O-N 2.84Å; E20-Y22 VanDerWaalsContact C-N 3.29Å; E20-Y22 PolarHBondContact O-N 3.39Å; E20-S23 CarbonylContact O-C 3.57Å; E20-S23 WeakPolarHBondContact O-CA 3.3Å; E20-S23 VanDerWaalsContact O-CB 3.3Å; E20-S23 WeakPolarHBondContact O-CB 3.49Å; E20-S23 PolarHBondContact O-N 3.37Å; E20-L24 HydrophobicContact CG-CD1 3.97Å; E20-L24 HydrophobicContact CG-CG 4.28Å; E20-L24 WeakPolarHBondContact O-CG 3.31Å; E20-L24 PolarHBondContact O-N 2.89Å
21C53.3Low55.3Low42 Ų4276.6 Ų76.628%0.28440%0.401SS..Hα-helixtrans-58.3-40.2173.7-71.60000111.8L17 R18 L24 M25L17-C21 WeakPolarHBondContact O-CB 3.28Å; L17-C21 PolarHBondContact O-N 3.37Å; L17-C21 PolarHBondContact O-SG 3.36Å; R18-C21 WeakPolarHBondContact O-CB 3.39Å; R18-C21 PolarHBondContact O-N 2.96Å; C21-L24 PolarHBondContact O-N 2.74Å; C21-M25 WeakPolarHBondContact O-CB 3.32Å; C21-M25 WeakPolarHBondContact O-CG 3.44Å; C21-M25 PolarHBondContact O-N 2.96Å
22Y60.9Low54.7Low21 Ų2176.4 Ų76.48%0.08241%0.407CS..Hα-helixtrans-64.1-40.1171.8-60-27.6000112.2R18 D19 E20 M25 G26 K46 Q50R18-Y22 WeakPolarHBondContact CD-OH 3.49Å; R18-Y22 HydrophobicContact CG-CD2 4.4Å; R18-Y22 HydrophobicContact CG-CE1 4.2Å; R18-Y22 HydrophobicContact CG-CE2 3.59Å; R18-Y22 VanDerWaalsContact CG-CZ 3.46Å; R18-Y22 WeakPolarHBondContact CG-OH 3.26Å; R18-Y22 WeakPolarHBondContact O-CD2 3.46Å; R18-Y22 VanDerWaalsContact O-CG 3.23Å; R18-Y22 PolarHBondContact O-N 2.97Å; D19-Y22 HydrophobicContact CB-CD2 4.49Å; D19-Y22 PolarHBondContact O-N 3.41Å; D19-Y22 WeakPolarHBondContact OD1-CD2 3.27Å; D19-Y22 WeakPolarHBondContact OD1-CE2 3.47Å; E20-Y22 VanDerWaalsContact C-N 3.29Å; E20-Y22 PolarHBondContact O-N 3.39Å; Y22-M25 HydrophobicContact CD1-CE 3.93Å; Y22-G26 PolarHBondContact O-N 3.43Å; Y22-K46 HydrophobicContact CD1-CG 3.84Å; Y22-K46 HydrophobicContact CE1-CD 4.25Å; Y22-K46 HydrophobicContact CE1-CG 3.41Å; Y22-K46 VanDerWaalsContact CE1-CG 3.41Å; Y22-K46 HydrophobicContact CE2-CD 4.46Å; Y22-K46 HydrophobicContact CE2-CG 4.45Å; Y22-Q50 VanDerWaalsContact OH-CG 3.32Å; Y22-Q50 WeakPolarHBondContact OH-CG 3.42Å; Y22-Q50 PolarHBondContact OH-NE2 2.94Å
23S59.8Low54.2Low54 Ų5478.7 Ų78.738%0.37842%0.423SS..Hα-helixtrans-62.9-43.6175.4-172.30000111.8D19 E20 G26 K27D19-S23 WeakPolarHBondContact O-CB 3.49Å; D19-S23 PolarHBondContact O-N 2.89Å; E20-S23 CarbonylContact O-C 3.57Å; E20-S23 WeakPolarHBondContact O-CA 3.3Å; E20-S23 VanDerWaalsContact O-CB 3.3Å; E20-S23 WeakPolarHBondContact O-CB 3.49Å; E20-S23 PolarHBondContact O-N 3.37Å; S23-G26 PolarHBondContact O-N 3.28Å; S23-K27 WeakPolarHBondContact O-CB 3.28Å; S23-K27 WeakPolarHBondContact O-CD 3.33Å; S23-K27 WeakPolarHBondContact O-CG 3.2Å; S23-K27 PolarHBondContact O-N 3.32Å; S23-K27 WeakPolarHBondContact OG-CE 3.12Å; S23-K27 PolarHBondContact OG-NZ 3.05Å
24L55.8Low54.1Low91 Ų9186.6 Ų86.648%0.47644%0.441SS..Hα-helixtrans-66.8-44.8177.4-71.7169.1000112.1E20 C21 K27 R28E20-L24 HydrophobicContact CG-CD1 3.97Å; E20-L24 HydrophobicContact CG-CG 4.28Å; E20-L24 WeakPolarHBondContact O-CG 3.31Å; E20-L24 PolarHBondContact O-N 2.89Å; C21-L24 PolarHBondContact O-N 2.74Å; L24-K27 PolarHBondContact O-N 3.02Å; L24-R28 PolarHBondContact O-N 3.24Å
25M54.1Low53.7Low47 Ų4790.6 Ų90.623%0.23246%0.463CS..Hα-helixtrans-61.6-46.6172-74.3-162.9-67.500111.3C21 Y22 K27 R28 F29 A45 A49C21-M25 WeakPolarHBondContact O-CB 3.32Å; C21-M25 WeakPolarHBondContact O-CG 3.44Å; C21-M25 PolarHBondContact O-N 2.96Å; Y22-M25 HydrophobicContact CD1-CE 3.93Å; M25-K27 VanDerWaalsContact C-N 3.34Å; M25-K27 PolarHBondContact O-N 3.21Å; M25-R28 WeakPolarHBondContact O-CB 3.43Å; M25-R28 PolarHBondContact O-N 3.27Å; M25-R28 VanDerWaalsContact O-N 3.16Å; M25-F29 HydrophobicContact CB-CD2 4.37Å; M25-F29 HydrophobicContact CB-CE2 4.26Å; M25-F29 WeakPolarHBondContact O-CD2 3.41Å; M25-F29 PolarHBondContact O-N 3.27Å; M25-A45 HydrophobicContact SD-CB 4.3Å; M25-A49 HydrophobicContact CE-CB 3.62Å; M25-A49 HydrophobicContact SD-CB 4.35Å
26G54.4Low53.1Low16 Ų1692.7 Ų92.717%0.16548%0.479CS..Hα-helixtrans-57.6-42.9176.900000112.8Y22 S23 S30Y22-G26 PolarHBondContact O-N 3.43Å; S23-G26 PolarHBondContact O-N 3.28Å; G26-S30 VanDerWaalsContact O-CB 3.23Å; G26-S30 WeakPolarHBondContact O-CB 3.44Å; G26-S30 PolarHBondContact O-N 2.83Å; G26-S30 PolarHBondContact O-OG 3.36Å
27K57Low52.4Low131 Ų13198.6 Ų98.657%0.5750%0.501SS*.Hα-helixtrans-62.1-47172.5-73.8163.4-176.31700111.9S23 L24 M25 S30 S31S23-K27 WeakPolarHBondContact O-CB 3.28Å; S23-K27 WeakPolarHBondContact O-CD 3.33Å; S23-K27 WeakPolarHBondContact O-CG 3.2Å; S23-K27 PolarHBondContact O-N 3.32Å; S23-K27 WeakPolarHBondContact OG-CE 3.12Å; S23-K27 PolarHBondContact OG-NZ 3.05Å; L24-K27 PolarHBondContact O-N 3.02Å; M25-K27 VanDerWaalsContact C-N 3.34Å; M25-K27 PolarHBondContact O-N 3.21Å; K27-S30 PolarHBondContact O-N 3.45Å; K27-S31 WeakPolarHBondContact O-CB 3.48Å; K27-S31 PolarHBondContact O-N 2.84Å
28R49.3Very low52.2Low210 Ų21098.1 Ų98.179%0.79250%0.498SS*.Hα-helixtrans-56.1-54.2175.5-108.1-176.6177.1179.90.5111.3L24 M25 S30 S31L24-R28 PolarHBondContact O-N 3.24Å; M25-R28 WeakPolarHBondContact O-CB 3.43Å; M25-R28 PolarHBondContact O-N 3.27Å; M25-R28 VanDerWaalsContact O-N 3.16Å; R28-S30 VanDerWaalsContact C-N 3.3Å; R28-S30 PolarHBondContact O-N 2.82Å; R28-S31 PolarHBondContact O-N 3.49Å; R28-S31 PolarHBondContact O-OG 3.32Å
29F51.3Low52.2Low81 Ų81100.8 Ų100.836%0.35552%0.522SS..Hα-helixtrans-65.3-30.3179.8-69.1-61.3000113.3M25 L35 A45M25-F29 HydrophobicContact CB-CD2 4.37Å; M25-F29 HydrophobicContact CB-CE2 4.26Å; M25-F29 WeakPolarHBondContact O-CD2 3.41Å; M25-F29 PolarHBondContact O-N 3.27Å; F29-L35 HydrophobicContact CD1-CD1 4.18Å; F29-A45 HydrophobicContact CE2-CB 3.94Å; F29-A45 HydrophobicContact CZ-CB 4.17Å
30S53.7Low52.1Low94 Ų9499.6 Ų99.666%0.65752%0.517SS*.Hα-helixtrans-77.2-25176.4-56.70000113.8G26 K27 R28 G32G26-S30 VanDerWaalsContact O-CB 3.23Å; G26-S30 WeakPolarHBondContact O-CB 3.44Å; G26-S30 PolarHBondContact O-N 2.83Å; G26-S30 PolarHBondContact O-OG 3.36Å; K27-S30 PolarHBondContact O-N 3.45Å; R28-S30 VanDerWaalsContact C-N 3.3Å; R28-S30 PolarHBondContact O-N 2.82Å; S30-G32 VanDerWaalsContact C-N 3.27Å; S30-G32 PolarHBondContact O-N 2.81Å
31S50.5Low52Low98 Ų9896.9 Ų96.969%0.68551%0.506SS*.Hα-helixtrans-72.5-17.1-179.569.80000114.2K27 R28K27-S31 WeakPolarHBondContact O-CB 3.48Å; K27-S31 PolarHBondContact O-N 2.84Å; R28-S31 PolarHBondContact O-N 3.49Å; R28-S31 PolarHBondContact O-OG 3.32Å
32G41.3Very low52.4Low37 Ų37100.2 Ų100.238%0.38151%0.513SS..  trans-102.6100.6179.900000113.2S30 R34S30-G32 VanDerWaalsContact C-N 3.27Å; S30-G32 PolarHBondContact O-N 2.81Å; G32-R34 PolarHBondContact O-N 3.46Å
33N42.5Very low52.7Low167 Ų167101 Ų10189%0.89352%0.524SS*.THydrogen-bonded Turntrans-6636.6177.6-80.4-29.9000115.3
34R44.9Very low53.2Low242 Ų24299.2 Ų99.291%0.91351%0.509SS*.THydrogen-bonded Turntrans-141.4-9.5-176.4-70.7-167.6176.4-170.4-0.4116.5G32G32-R34 PolarHBondContact O-N 3.46Å
35L44.6Very low53.6Low105 Ų10595.6 Ų95.655%0.5549%0.492SS..SBendtrans-87.9129174.1-84.7153.4000110.3F29F29-L35 HydrophobicContact CD1-CD1 4.18Å
36P44.2Very low54.4Low86 Ų8697.1 Ų97.156%0.55850%0.498SS*.  trans-66.8157.7175.429-34.7000110.8N38P36-N38 PolarHBondContact O-N 2.91Å
37K45.1Very low55.4Low212 Ų21297.6 Ų97.692%0.92250%0.496SS*.  trans-72.144.8179.9-63.7-175.6177.8-178.90113.7T39K37-T39 PolarHBondContact O-N 2.94Å; K37-T39 VanDerWaalsContact O-N 3.07Å
38N50Low56.4Low81 Ų8192.3 Ų92.343%0.43347%0.473SS..  trans-71100.8173-88.3-1.9000109.7P36 T40 I41P36-N38 PolarHBondContact O-N 2.91Å; N38-T40 PolarHBondContact O-N 2.98Å; N38-T40 VanDerWaalsContact O-N 3.11Å; N38-I41 HydrophobicContact CB-CD1 4.02Å; N38-I41 HydrophobicContact CB-CG1 4.09Å; N38-I41 PolarHBondContact O-N 2.89Å
39T59.1Low57.5Low116 Ų11683.2 Ų83.271%0.71244%0.443SS*.Hα-helixtrans-51.6-30.2173.845.80000112.8K37 Y42 A43K37-T39 PolarHBondContact O-N 2.94Å; K37-T39 VanDerWaalsContact O-N 3.07Å; T39-Y42 PolarHBondContact O-N 2.94Å; T39-A43 WeakPolarHBondContact O-CB 3.46Å; T39-A43 PolarHBondContact O-N 3.4Å
40T59.5Low58.7Low49 Ų4981.4 Ų81.430%0.30144%0.436SS..Hα-helixtrans-60-41.1175.648.60000113.6N38 A43 Y44 M112 V122N38-T40 PolarHBondContact O-N 2.98Å; N38-T40 VanDerWaalsContact O-N 3.11Å; T40-A43 PolarHBondContact O-N 3.19Å; T40-Y44 VanDerWaalsContact O-CB 3.31Å; T40-Y44 WeakPolarHBondContact O-CB 3.38Å; T40-Y44 PolarHBondContact O-N 3.43Å; T40-M112 WeakPolarHBondContact O-CE 3.4Å; T40-V122 HydrophobicContact CG2-CG1 4.41Å
41I60.7Low60.1Low54 Ų5477 Ų7728%0.27740%0.404SS..Hα-helixtrans-69.4-42.7-178.7-60.4175.6000110.4N38 Y44 A45 I123N38-I41 HydrophobicContact CB-CD1 4.02Å; N38-I41 HydrophobicContact CB-CG1 4.09Å; N38-I41 PolarHBondContact O-N 2.89Å; I41-Y44 PolarHBondContact O-N 2.65Å; I41-A45 WeakPolarHBondContact O-CB 3.42Å; I41-A45 PolarHBondContact O-N 3.29Å; I41-I123 HydrophobicContact CG1-CD1 4.46Å
42Y60.8Low61.5Low112 Ų11273.7 Ų73.744%0.43938%0.381SS..Hα-helixtrans-67.2-39.9176.9-174.8-105.2000112.1T39 K46T39-Y42 PolarHBondContact O-N 2.94Å; Y42-K46 WeakPolarHBondContact O-CB 3.44Å; Y42-K46 PolarHBondContact O-N 3.17Å
43A67.8Low63.2Low39 Ų3974.5 Ų74.532%0.32238%0.376SS..Hα-helixtrans-63.6-43.3173.700000112.1T39 T40 K46 L47 M112T39-A43 WeakPolarHBondContact O-CB 3.46Å; T39-A43 PolarHBondContact O-N 3.4Å; T40-A43 PolarHBondContact O-N 3.19Å; A43-K46 PolarHBondContact O-N 3.16Å; A43-L47 WeakPolarHBondContact O-CG 3.48Å; A43-L47 PolarHBondContact O-N 3.43Å; A43-M112 HydrophobicContact CB-CE 3.99Å
44Y70.2Confident65Low16 Ų1666.5 Ų66.56%0.06333%0.334CS..Hα-helixtrans-60.2-51.1175.8-173.8-93.4000111.3T40 I41 K46 L47 F48 L109 M112 L132 I136T40-Y44 VanDerWaalsContact O-CB 3.31Å; T40-Y44 WeakPolarHBondContact O-CB 3.38Å; T40-Y44 PolarHBondContact O-N 3.43Å; I41-Y44 PolarHBondContact O-N 2.65Å; Y44-K46 VanDerWaalsContact C-N 3.29Å; Y44-K46 PolarHBondContact O-N 3.38Å; Y44-L47 PolarHBondContact O-N 3.39Å; Y44-F48 VanDerWaalsContact O-CB 3.26Å; Y44-F48 WeakPolarHBondContact O-CB 3.49Å; Y44-F48 PolarHBondContact O-N 2.83Å; Y44-L109 HydrophobicContact CD2-CD2 3.69Å; Y44-L109 HydrophobicContact CE2-CB 4.38Å; Y44-L109 HydrophobicContact CE2-CD2 3.66Å; Y44-L109 HydrophobicContact CG-CD2 4.21Å; Y44-M112 HydrophobicContact CD2-CB 3.9Å; Y44-M112 HydrophobicContact CE2-CB 4.44Å; Y44-L132 HydrophobicContact CE1-CD1 4.04Å; Y44-I136 WeakPolarHBondContact OH-CD1 3.49Å
45A65Low67Low14 Ų1455.2 Ų55.212%0.11629%0.292CS..Hα-helixtrans-59-38.9177.200000112.5M25 F29 I41 F48 A49M25-A45 HydrophobicContact SD-CB 4.3Å; F29-A45 HydrophobicContact CE2-CB 3.94Å; F29-A45 HydrophobicContact CZ-CB 4.17Å; I41-A45 WeakPolarHBondContact O-CB 3.42Å; I41-A45 PolarHBondContact O-N 3.29Å; A45-F48 PolarHBondContact O-N 3.18Å; A45-A49 WeakPolarHBondContact O-CB 3.39Å; A45-A49 PolarHBondContact O-N 2.93Å
46K70.5Confident68.7Low79 Ų7953.9 Ų53.934%0.34328%0.283SS..Hα-helixtrans-65.3-43.2176.9-164.6-178.4-175177.30112.6Y22 Y42 A43 Y44 Q50Y22-K46 HydrophobicContact CD1-CG 3.84Å; Y22-K46 HydrophobicContact CE1-CD 4.25Å; Y22-K46 HydrophobicContact CE1-CG 3.41Å; Y22-K46 VanDerWaalsContact CE1-CG 3.41Å; Y22-K46 HydrophobicContact CE2-CD 4.46Å; Y22-K46 HydrophobicContact CE2-CG 4.45Å; Y42-K46 WeakPolarHBondContact O-CB 3.44Å; Y42-K46 PolarHBondContact O-N 3.17Å; A43-K46 PolarHBondContact O-N 3.16Å; Y44-K46 VanDerWaalsContact C-N 3.29Å; Y44-K46 PolarHBondContact O-N 3.38Å; K46-Q50 WeakPolarHBondContact O-CG 3.44Å; K46-Q50 PolarHBondContact O-N 3.11Å
47L76.1Confident70.4Confident26 Ų2651.2 Ų51.214%0.13626%0.263CS..Hα-helixtrans-71.3-37.1177.1-71.7168.1000111.6A43 Y44 Q50 F51 L105 Q108 L109 M112A43-L47 WeakPolarHBondContact O-CG 3.48Å; A43-L47 PolarHBondContact O-N 3.43Å; Y44-L47 PolarHBondContact O-N 3.39Å; L47-Q50 WeakPolarHBondContact O-CB 3.45Å; L47-Q50 PolarHBondContact O-N 3.1Å; L47-F51 PolarHBondContact O-N 2.83Å; L47-L105 HydrophobicContact CD2-CD2 3.67Å; L47-Q108 HydrophobicContact CD1-CB 4.41Å; L47-L109 HydrophobicContact CB-CD2 3.7Å; L47-L109 HydrophobicContact CB-CG 4.11Å; L47-M112 HydrophobicContact CD1-SD 3.67Å
48F77.3Confident72.4Confident21 Ų2141.1 Ų41.19%0.09222%0.219CC..Hα-helixtrans-65.5-41.8178.1-176.1-92000111.6Y44 A45 Q50 F51 C52 L109 L132 V134 I136Y44-F48 VanDerWaalsContact O-CB 3.26Å; Y44-F48 WeakPolarHBondContact O-CB 3.49Å; Y44-F48 PolarHBondContact O-N 2.83Å; A45-F48 PolarHBondContact O-N 3.18Å; F48-Q50 PolarHBondContact O-N 2.79Å; F48-F51 PolarHBondContact O-N 3.09Å; F48-C52 WeakPolarHBondContact CE1-SG 3.27Å; F48-C52 VanDerWaalsContact CZ-SG 3.58Å; F48-C52 PolarHBondContact O-N 3.28Å; F48-C52 PolarHBondContact O-SG 2.89Å; F48-L109 HydrophobicContact CB-CD1 4.45Å; F48-L109 HydrophobicContact CB-CD2 4.07Å; F48-L109 HydrophobicContact CD2-CD1 4.48Å; F48-L132 HydrophobicContact CD1-CD1 3.8Å; F48-L132 HydrophobicContact CD1-CD2 4.22Å; F48-L132 HydrophobicContact CD1-CG 4.48Å; F48-L132 HydrophobicContact CD2-CD1 4.05Å; F48-L132 HydrophobicContact CE1-CB 3.95Å; F48-L132 HydrophobicContact CE1-CD1 3.79Å; F48-L132 HydrophobicContact CE1-CD2 3.85Å; F48-L132 HydrophobicContact CE1-CG 4.07Å; F48-L132 HydrophobicContact CE2-CB 4.28Å; F48-L132 HydrophobicContact CE2-CD1 4.04Å; F48-L132 HydrophobicContact CG-CD1 3.94Å; F48-L132 HydrophobicContact CZ-CB 3.67Å; F48-L132 HydrophobicContact CZ-CD1 3.92Å; F48-L132 HydrophobicContact CZ-CD2 4.44Å; F48-L132 HydrophobicContact CZ-CG 4.21Å; F48-V134 HydrophobicContact CZ-CB 4.11Å; F48-I136 HydrophobicContact CD2-CD1 4.3Å; F48-I136 HydrophobicContact CD2-CG1 4.36Å; F48-I136 HydrophobicContact CE2-CD1 4.42Å; F48-I136 HydrophobicContact CE2-CG1 4.18Å
49A71.4Confident74.1Confident18 Ų1839.1 Ų39.115%0.14921%0.207CC..Hα-helixtrans-62-40.9172.800000112.4M25 A45 C52 L53M25-A49 HydrophobicContact CE-CB 3.62Å; M25-A49 HydrophobicContact SD-CB 4.35Å; A45-A49 WeakPolarHBondContact O-CB 3.39Å; A45-A49 PolarHBondContact O-N 2.93Å; A49-C52 PolarHBondContact O-N 3.14Å; A49-L53 WeakPolarHBondContact O-CB 3.28Å; A49-L53 WeakPolarHBondContact O-CG 3.32Å; A49-L53 PolarHBondContact O-N 2.74Å
50Q76.9Confident75.3Confident44 Ų4441.4 Ų41.421%0.20620%0.203CC..Hα-helixtrans-63.4-42.6173.8-72.2176.748.500112.2Y22 K46 L47 F48 L54 L105Y22-Q50 VanDerWaalsContact OH-CG 3.32Å; Y22-Q50 WeakPolarHBondContact OH-CG 3.42Å; Y22-Q50 PolarHBondContact OH-NE2 2.94Å; K46-Q50 WeakPolarHBondContact O-CG 3.44Å; K46-Q50 PolarHBondContact O-N 3.11Å; L47-Q50 WeakPolarHBondContact O-CB 3.45Å; L47-Q50 PolarHBondContact O-N 3.1Å; F48-Q50 PolarHBondContact O-N 2.79Å; Q50-L54 VanDerWaalsContact O-CB 3.24Å; Q50-L54 WeakPolarHBondContact O-CB 3.45Å; Q50-L54 PolarHBondContact O-N 3.04Å; Q50-L54 VanDerWaalsContact O-N 3.07Å; Q50-L105 HydrophobicContact CB-CD1 3.88Å; Q50-L105 HydrophobicContact CB-CD2 4.23Å
51F84.4Confident76.6Confident0 Ų040.8 Ų40.80%020%0.195CC..Hα-helixtrans-61.7-47.9176.2174.1-100.1000111.4L47 F48 L54 S55 L102 L105 A106 L109 I136 R139L47-F51 PolarHBondContact O-N 2.83Å; F48-F51 PolarHBondContact O-N 3.09Å; F51-L54 PolarHBondContact O-N 3.14Å; F51-S55 WeakPolarHBondContact O-CB 3.48Å; F51-S55 PolarHBondContact O-N 3.49Å; F51-S55 PolarHBondContact O-OG 3.14Å; F51-L102 HydrophobicContact CD2-CD1 3.52Å; F51-L102 HydrophobicContact CD2-CG 4.24Å; F51-L102 HydrophobicContact CE2-CD1 3.63Å; F51-L102 HydrophobicContact CE2-CG 4.01Å; F51-L102 HydrophobicContact CG-CD1 4.41Å; F51-L105 HydrophobicContact CB-CB 4.37Å; F51-L105 HydrophobicContact CD2-CB 4.47Å; F51-A106 HydrophobicContact CD2-CB 4.15Å; F51-A106 HydrophobicContact CE2-CB 3.79Å; F51-L109 HydrophobicContact CB-CD1 3.57Å; F51-L109 HydrophobicContact CD1-CD1 4.37Å; F51-L109 HydrophobicContact CG-CD1 3.93Å; F51-I136 HydrophobicContact CD1-CG1 4.43Å; F51-I136 HydrophobicContact CE1-CB 4.31Å; F51-I136 HydrophobicContact CE1-CG1 4.19Å; F51-I136 HydrophobicContact CE1-CG2 4.11Å; F51-I136 HydrophobicContact CE2-CG2 4.21Å; F51-I136 HydrophobicContact CZ-CB 4.45Å; F51-I136 HydrophobicContact CZ-CG2 3.9Å; F51-R139 HydrophobicContact CE1-CB 4.01Å; F51-R139 HydrophobicContact CE1-CG 3.82Å; F51-R139 HydrophobicContact CZ-CB 3.91Å; F51-R139 HydrophobicContact CZ-CG 3.84Å
52C79.2Confident77.8Confident29 Ų2938.2 Ų38.220%0.19618%0.182CC..Hα-helixtrans-60.3-53.1179.8-66.30000111.8F48 A49 L54 S55 E56F48-C52 WeakPolarHBondContact CE1-SG 3.27Å; F48-C52 VanDerWaalsContact CZ-SG 3.58Å; F48-C52 PolarHBondContact O-N 3.28Å; F48-C52 PolarHBondContact O-SG 2.89Å; A49-C52 PolarHBondContact O-N 3.14Å; C52-L54 PolarHBondContact O-N 2.7Å; C52-S55 PolarHBondContact O-N 2.81Å; C52-S55 VanDerWaalsContact O-N 3.13Å; C52-S55 PolarHBondContact O-OG 2.81Å; C52-E56 PolarHBondContact O-N 2.94Å
53L76.4Confident78.9Confident54 Ų5438.3 Ų38.328%0.28318%0.184SC..Hα-helixtrans-56.2-49.1179.3-72.1170.1000111.9F14 A49 S55 E56 E57F14-L53 HydrophobicContact CZ-CB 4.31Å; F14-L53 HydrophobicContact CZ-CD1 4.21Å; A49-L53 WeakPolarHBondContact O-CB 3.28Å; A49-L53 WeakPolarHBondContact O-CG 3.32Å; A49-L53 PolarHBondContact O-N 2.74Å; L53-S55 VanDerWaalsContact C-N 3.32Å; L53-S55 PolarHBondContact O-N 2.92Å; L53-E56 PolarHBondContact O-N 3Å; L53-E57 WeakPolarHBondContact O-CB 3.49Å; L53-E57 PolarHBondContact O-N 3.35Å
54L81.1Confident79.6Confident0 Ų043.1 Ų43.10%019%0.194CC..Hα-helixtrans-65.3-36178.7-175.162000112L9 Q50 F51 C52 L58 D98 R101 L102 L105L9-L54 HydrophobicContact CD1-CD1 3.67Å; L9-L54 HydrophobicContact CD2-CD1 4.04Å; Q50-L54 VanDerWaalsContact O-CB 3.24Å; Q50-L54 WeakPolarHBondContact O-CB 3.45Å; Q50-L54 PolarHBondContact O-N 3.04Å; Q50-L54 VanDerWaalsContact O-N 3.07Å; F51-L54 PolarHBondContact O-N 3.14Å; C52-L54 PolarHBondContact O-N 2.7Å; L54-L58 HydrophobicContact CD1-CD1 4.16Å; L54-L58 HydrophobicContact CD1-CG 4.37Å; L54-L58 HydrophobicContact CG-CD1 4.05Å; L54-L58 WeakPolarHBondContact O-CB 3.31Å; L54-L58 WeakPolarHBondContact O-CG 3.45Å; L54-L58 PolarHBondContact O-N 2.65Å; L54-D98 HydrophobicContact CD1-CB 4.21Å; L54-R101 HydrophobicContact CD2-CB 4.08Å; L54-R101 HydrophobicContact CD2-CG 3.94Å; L54-L102 HydrophobicContact CB-CD1 4.08Å; L54-L102 HydrophobicContact CD2-CB 3.84Å; L54-L102 HydrophobicContact CD2-CD1 4.04Å; L54-L102 HydrophobicContact CG-CB 4.28Å; L54-L102 HydrophobicContact CG-CD1 3.98Å; L54-L105 HydrophobicContact CD2-CD1 3.94Å
55S85.9Confident80Confident4 Ų442.3 Ų42.33%0.02819%0.191CC..Hα-helixtrans-66.4-43177.984.20000112F51 C52 L53 E59 R139 I143F51-S55 WeakPolarHBondContact O-CB 3.48Å; F51-S55 PolarHBondContact O-N 3.49Å; F51-S55 PolarHBondContact O-OG 3.14Å; C52-S55 PolarHBondContact O-N 2.81Å; C52-S55 VanDerWaalsContact O-N 3.13Å; C52-S55 PolarHBondContact O-OG 2.81Å; L53-S55 VanDerWaalsContact C-N 3.32Å; L53-S55 PolarHBondContact O-N 2.92Å; S55-E59 WeakPolarHBondContact O-CB 3.48Å; S55-E59 PolarHBondContact O-N 3.32Å; S55-R139 PolarHBondContact O-NH2 2.93Å; S55-R139 PolarHBondContact OG-NE 3.18Å; S55-R139 VanDerWaalsContact OG-NE 3.13Å; S55-I143 VanDerWaalsContact CB-CD1 3.48Å; S55-I143 VanDerWaalsContact O-CD1 3.25Å; S55-I143 WeakPolarHBondContact O-CD1 3.16Å
56E81.3Confident80.7Confident78 Ų7843.2 Ų43.236%0.36420%0.196SC..Hα-helixtrans-71.2-38177-67.7-174.2-166.100112.3C52 L53 E59 R60C52-E56 PolarHBondContact O-N 2.94Å; L53-E56 PolarHBondContact O-N 3Å; E56-E59 PolarHBondContact O-N 2.87Å; E56-R60 WeakPolarHBondContact O-CB 3.42Å; E56-R60 VanDerWaalsContact O-CG 3.28Å; E56-R60 WeakPolarHBondContact O-CG 3.16Å; E56-R60 PolarHBondContact O-N 3.15Å; E56-R60 IonicContact OE2-CZ 3.85Å; E56-R60 IonicContact OE2-NH1 3.91Å; E56-R60 PolarHBondContact OE2-NH1 2.81Å; E56-R60 IonicContact OE2-NH2 3.17Å; E56-R60 PolarHBondContact OE2-NH2 2.99Å
57E79.5Confident81.1Confident29 Ų2945.4 Ų45.414%0.13621%0.205CC..Hα-helixtrans-63.1-46.6177.7-162.1-160.6129.500110.8L9 L53 R60 W61 R95L9-E57 WeakPolarHBondContact CD1-OE2 3.48Å; L53-E57 WeakPolarHBondContact O-CB 3.49Å; L53-E57 PolarHBondContact O-N 3.35Å; E57-R60 PolarHBondContact O-N 3.2Å; E57-W61 WeakPolarHBondContact O-CB 3.31Å; E57-W61 PolarHBondContact O-N 3.04Å; E57-R95 IonicContact OE1-CZ 3.85Å; E57-R95 IonicContact OE1-NH1 3.64Å; E57-R95 PolarHBondContact OE1-NH1 2.67Å; E57-R95 VanDerWaalsContact OE1-NH1 3.16Å; E57-R95 IonicContact OE1-NH2 3.55Å; E57-R95 PolarHBondContact OE1-NH2 3.09Å
58L86.4Confident80.9Confident0 Ų045.7 Ų45.70%021%0.207CC..Hα-helixtrans-63.5-42.4176.1-75.6169.6000112L54 W61 L62 D98 L102 I143 W147L54-L58 HydrophobicContact CD1-CD1 4.16Å; L54-L58 HydrophobicContact CD1-CG 4.37Å; L54-L58 HydrophobicContact CG-CD1 4.05Å; L54-L58 WeakPolarHBondContact O-CB 3.31Å; L54-L58 WeakPolarHBondContact O-CG 3.45Å; L54-L58 PolarHBondContact O-N 2.65Å; L58-W61 PolarHBondContact O-N 2.66Å; L58-L62 VanDerWaalsContact O-CB 3.27Å; L58-L62 WeakPolarHBondContact O-CB 3.48Å; L58-L62 VanDerWaalsContact O-CG 3.27Å; L58-L62 WeakPolarHBondContact O-CG 3.47Å; L58-L62 PolarHBondContact O-N 3.44Å; L58-D98 HydrophobicContact CD1-CB 4.42Å; L58-D98 HydrophobicContact CD2-CB 3.98Å; L58-L102 HydrophobicContact CD1-CB 4.14Å; L58-L102 HydrophobicContact CD1-CD2 4Å; L58-I143 HydrophobicContact CB-CG2 4.31Å; L58-W147 HydrophobicContact CD2-CZ3 4.14Å
59E87Confident80.6Confident40 Ų4045.1 Ų45.119%0.18721%0.206CC..Hα-helixtrans-64.6-46177.1-165.3-159.9143.700112.3S55 E56 W61 L62 K63 R139 M146S55-E59 WeakPolarHBondContact O-CB 3.48Å; S55-E59 PolarHBondContact O-N 3.32Å; E56-E59 PolarHBondContact O-N 2.87Å; E59-W61 VanDerWaalsContact C-N 3.32Å; E59-W61 PolarHBondContact O-N 3.1Å; E59-L62 PolarHBondContact O-N 3.02Å; E59-K63 HydrophobicContact CG-CD 4.32Å; E59-K63 WeakPolarHBondContact O-CB 3.13Å; E59-K63 WeakPolarHBondContact O-CG 3.39Å; E59-K63 PolarHBondContact O-N 2.72Å; E59-K63 VanDerWaalsContact OE1-CE 3.23Å; E59-K63 WeakPolarHBondContact OE1-CE 3.23Å; E59-K63 IonicContact OE1-NZ 2.65Å; E59-K63 PolarHBondContact OE1-NZ 2.94Å; E59-R139 IonicContact OE2-CZ 2.66Å; E59-R139 IonicContact OE2-NH1 2.61Å; E59-R139 PolarHBondContact OE2-NH1 3.42Å; E59-R139 IonicContact OE2-NH2 3.29Å; E59-R139 PolarHBondContact OE2-NH2 2.98Å; E59-M146 HydrophobicContact CG-CE 3.77Å; E59-M146 HydrophobicContact CG-SD 3.93Å
60R83.8Confident80.4Confident164 Ų16451.3 Ų51.362%0.61923%0.23SC*.Hα-helixtrans-61.6-41.4176.6-73.4177.9-175.9114.310.7111.3E56 E57 R64E56-R60 WeakPolarHBondContact O-CB 3.42Å; E56-R60 VanDerWaalsContact O-CG 3.28Å; E56-R60 WeakPolarHBondContact O-CG 3.16Å; E56-R60 PolarHBondContact O-N 3.15Å; E56-R60 IonicContact OE2-CZ 3.85Å; E56-R60 IonicContact OE2-NH1 3.91Å; E56-R60 PolarHBondContact OE2-NH1 2.81Å; E56-R60 IonicContact OE2-NH2 3.17Å; E56-R60 PolarHBondContact OE2-NH2 2.99Å; E57-R60 PolarHBondContact O-N 3.2Å; R60-R64 PolarHBondContact O-N 2.99Å
61W86.4Confident79.7Confident35 Ų3554.9 Ų54.913%0.13325%0.247CC..Hα-helixtrans-68.2-46.4178.5-179.788.9000112L3 E57 L58 E59 K63 R64 V65 C91 I92 R95 W147L3-W61 HydrophobicContact CD2-CZ2 4.48Å; E57-W61 WeakPolarHBondContact O-CB 3.31Å; E57-W61 PolarHBondContact O-N 3.04Å; L58-W61 PolarHBondContact O-N 2.66Å; E59-W61 VanDerWaalsContact C-N 3.32Å; E59-W61 PolarHBondContact O-N 3.1Å; W61-K63 PolarHBondContact O-N 3.24Å; W61-R64 WeakPolarHBondContact O-CA 3.28Å; W61-R64 WeakPolarHBondContact O-CB 3.42Å; W61-R64 PolarHBondContact O-N 3.36Å; W61-R64 VanDerWaalsContact O-N 3.07Å; W61-V65 HydrophobicContact CD2-CG2 4.03Å; W61-V65 HydrophobicContact CE3-CG2 4.21Å; W61-V65 HydrophobicContact CH2-CG2 3.79Å; W61-V65 HydrophobicContact CZ2-CG2 3.63Å; W61-V65 HydrophobicContact CZ3-CG2 4.09Å; W61-V65 WeakPolarHBondContact O-CG2 3.48Å; W61-V65 PolarHBondContact O-N 3.14Å; W61-C91 HydrophobicContact CZ2-CB 4.1Å; W61-I92 HydrophobicContact CH2-CB 4.49Å; W61-I92 HydrophobicContact CH2-CG1 3.91Å; W61-I92 HydrophobicContact CZ3-CG1 4.38Å; W61-R95 HydrophobicContact CH2-CB 4.29Å; W61-R95 HydrophobicContact CH2-CG 4.23Å; W61-R95 HydrophobicContact CZ2-CG 3.99Å; W61-R95 HydrophobicContact CZ3-CB 4.49Å; W61-W147 HydrophobicContact CZ3-CH2 4.43Å; W61-W147 AromaticContact CZ3-CZ3 3.99Å; W61-W147 HydrophobicContact CZ3-CZ3 3.99Å
62L86Confident78.2Confident1 Ų155.7 Ų55.71%0.00526%0.255CS..Hα-helixtrans-57.5-47.4174.4-79.7173.1000111.4L58 E59 R64 V65 C66 I143 M146 W147 I150L58-L62 VanDerWaalsContact O-CB 3.27Å; L58-L62 WeakPolarHBondContact O-CB 3.48Å; L58-L62 VanDerWaalsContact O-CG 3.27Å; L58-L62 WeakPolarHBondContact O-CG 3.47Å; L58-L62 PolarHBondContact O-N 3.44Å; E59-L62 PolarHBondContact O-N 3.02Å; L62-R64 VanDerWaalsContact C-N 3.26Å; L62-R64 PolarHBondContact O-N 2.77Å; L62-V65 PolarHBondContact O-N 3.41Å; L62-C66 WeakPolarHBondContact O-CB 3.49Å; L62-C66 PolarHBondContact O-N 3.31Å; L62-I143 HydrophobicContact CD1-CG2 4.31Å; L62-M146 HydrophobicContact CB-CG 4.27Å; L62-M146 HydrophobicContact CB-SD 3.93Å; L62-M146 HydrophobicContact CD1-CB 4.17Å; L62-M146 HydrophobicContact CD1-CG 4.05Å; L62-M146 HydrophobicContact CD1-SD 4.18Å; L62-W147 HydrophobicContact CD1-CB 4.18Å; L62-W147 HydrophobicContact CD1-CE3 4.22Å; L62-W147 HydrophobicContact CD2-CB 4.45Å; L62-W147 HydrophobicContact CD2-CD2 4.35Å; L62-W147 HydrophobicContact CD2-CE3 3.84Å; L62-W147 HydrophobicContact CD2-CZ3 4.48Å; L62-W147 HydrophobicContact CG-CE3 4.31Å; L62-I150 HydrophobicContact CB-CD1 3.76Å; L62-I150 HydrophobicContact CD2-CD1 4Å; L62-I150 HydrophobicContact CG-CD1 4.4Å; L62-I150 WeakPolarHBondContact O-CD1 3.13Å
63K85.1Confident77Confident114 Ų11464.9 Ų64.950%0.49629%0.285SS..Hα-helixtrans-58.7-36.2174.8-76.3175.9169.9177.50112.6E59 W61 K67 M146E59-K63 HydrophobicContact CG-CD 4.32Å; E59-K63 WeakPolarHBondContact O-CB 3.13Å; E59-K63 WeakPolarHBondContact O-CG 3.39Å; E59-K63 PolarHBondContact O-N 2.72Å; E59-K63 VanDerWaalsContact OE1-CE 3.23Å; E59-K63 WeakPolarHBondContact OE1-CE 3.23Å; E59-K63 IonicContact OE1-NZ 2.65Å; E59-K63 PolarHBondContact OE1-NZ 2.94Å; W61-K63 PolarHBondContact O-N 3.24Å; K63-K67 WeakPolarHBondContact O-CB 3.38Å; K63-K67 PolarHBondContact O-N 3.29Å; K63-M146 HydrophobicContact CG-SD 4.21Å
64R80.8Confident75.6Confident139 Ų13970.8 Ų70.853%0.52532%0.316SS..Hα-helixtrans-69.6-42.4174.6-167.7176.7-173.4171.84.1112.5R60 W61 L62 K67 L68R60-R64 PolarHBondContact O-N 2.99Å; W61-R64 WeakPolarHBondContact O-CA 3.28Å; W61-R64 WeakPolarHBondContact O-CB 3.42Å; W61-R64 PolarHBondContact O-N 3.36Å; W61-R64 VanDerWaalsContact O-N 3.07Å; L62-R64 VanDerWaalsContact C-N 3.26Å; L62-R64 PolarHBondContact O-N 2.77Å; R64-K67 PolarHBondContact O-N 2.68Å; R64-L68 HydrophobicContact CG-CD1 4.18Å; R64-L68 WeakPolarHBondContact O-CB 3.3Å; R64-L68 VanDerWaalsContact O-CG 3.3Å; R64-L68 WeakPolarHBondContact O-CG 3.5Å; R64-L68 PolarHBondContact O-N 3.28Å
65V79.7Confident74.2Confident0 Ų074.8 Ų74.80%035%0.35CS..Hα-helixtrans-61.6-46.6174.8172.90000110.8L3 W61 L62 K67 L68 A69 Y88 I92 I150L3-V65 HydrophobicContact CD2-CG2 4.03Å; W61-V65 HydrophobicContact CD2-CG2 4.03Å; W61-V65 HydrophobicContact CE3-CG2 4.21Å; W61-V65 HydrophobicContact CH2-CG2 3.79Å; W61-V65 HydrophobicContact CZ2-CG2 3.63Å; W61-V65 HydrophobicContact CZ3-CG2 4.09Å; W61-V65 WeakPolarHBondContact O-CG2 3.48Å; W61-V65 PolarHBondContact O-N 3.14Å; L62-V65 PolarHBondContact O-N 3.41Å; V65-K67 PolarHBondContact O-N 3.14Å; V65-L68 PolarHBondContact O-N 2.89Å; V65-A69 WeakPolarHBondContact O-CB 3.42Å; V65-A69 PolarHBondContact O-N 3.47Å; V65-Y88 HydrophobicContact CG1-CD1 4.48Å; V65-I92 HydrophobicContact CG1-CD1 4.37Å; V65-I150 HydrophobicContact CG1-CG2 4.01Å
66C79.9Confident72.7Confident33 Ų3378 Ų7822%0.22336%0.362CS..Hα-helixtrans-57.2-50.3175.8-172.70000111.4L62 L68 A69 F70 I150L62-C66 WeakPolarHBondContact O-CB 3.49Å; L62-C66 PolarHBondContact O-N 3.31Å; C66-L68 PolarHBondContact O-N 3.31Å; C66-A69 PolarHBondContact O-N 3.33Å; C66-F70 VanDerWaalsContact O-CD2 3.31Å; C66-F70 WeakPolarHBondContact O-CD2 3.49Å; C66-F70 PolarHBondContact O-N 3.37Å; C66-F70 VanDerWaalsContact O-N 3.15Å; C66-I150 HydrophobicContact CB-CD1 3.78Å; C66-I150 HydrophobicContact CB-CG1 3.99Å
67K78.3Confident71.9Confident124 Ų12478.8 Ų78.854%0.53937%0.371SS..Hα-helixtrans-56.5-49.7176.9-179.8175.8173.2178.20112.1K63 R64 V65 A69 F70 E71K63-K67 WeakPolarHBondContact O-CB 3.38Å; K63-K67 PolarHBondContact O-N 3.29Å; R64-K67 PolarHBondContact O-N 2.68Å; V65-K67 PolarHBondContact O-N 3.14Å; K67-A69 VanDerWaalsContact C-N 3.34Å; K67-A69 PolarHBondContact O-N 3.45Å; K67-F70 PolarHBondContact O-N 3.36Å; K67-F70 VanDerWaalsContact O-N 3.14Å; K67-E71 WeakPolarHBondContact CE-OE1 3.43Å; K67-E71 WeakPolarHBondContact CE-OE2 3.42Å; K67-E71 HydrophobicContact CG-CG 4.4Å; K67-E71 IonicContact NZ-OE1 3.72Å; K67-E71 PolarHBondContact NZ-OE1 3.42Å; K67-E71 PolarHBondContact O-N 3.31Å
68L72.2Confident71.8Confident32 Ų3277.9 Ų77.917%0.16837%0.368CS..Hα-helixtrans-62.9-38.7-179.8-70.5170000112.6L3 R64 V65 C66 F70 E71 G72 Y88L3-L68 HydrophobicContact CD1-CD1 4.1Å; L3-L68 HydrophobicContact CG-CD1 4.47Å; R64-L68 HydrophobicContact CG-CD1 4.18Å; R64-L68 WeakPolarHBondContact O-CB 3.3Å; R64-L68 VanDerWaalsContact O-CG 3.3Å; R64-L68 WeakPolarHBondContact O-CG 3.5Å; R64-L68 PolarHBondContact O-N 3.28Å; V65-L68 PolarHBondContact O-N 2.89Å; C66-L68 PolarHBondContact O-N 3.31Å; L68-F70 VanDerWaalsContact C-N 3.27Å; L68-F70 PolarHBondContact O-N 3.15Å; L68-E71 PolarHBondContact O-N 3.27Å; L68-G72 PolarHBondContact O-N 3.1Å; L68-G72 VanDerWaalsContact O-N 3.11Å; L68-Y88 HydrophobicContact CB-CE1 3.84Å; L68-Y88 PolarHBondContact O-OH 2.98Å
69A70.1Confident71.6Confident9 Ų981.8 Ų81.87%0.07438%0.383CS..Hα-helixtrans-66.6-25.4176.100000113.5V65 C66 K67 Y88 V154 M157V65-A69 WeakPolarHBondContact O-CB 3.42Å; V65-A69 PolarHBondContact O-N 3.47Å; C66-A69 PolarHBondContact O-N 3.33Å; K67-A69 VanDerWaalsContact C-N 3.34Å; K67-A69 PolarHBondContact O-N 3.45Å; A69-Y88 HydrophobicContact CB-CD2 4.16Å; A69-Y88 HydrophobicContact CB-CE2 4.12Å; A69-V154 HydrophobicContact CB-CG2 4.19Å; A69-M157 HydrophobicContact CB-CE 4.36Å
70F66.9Low71.4Confident148 Ų14879.9 Ų79.965%0.64937%0.374SS*.Hα-helixtrans-85.2-32.9172.6-82.6-67.4000113.7C66 K67 L68 L153C66-F70 VanDerWaalsContact O-CD2 3.31Å; C66-F70 WeakPolarHBondContact O-CD2 3.49Å; C66-F70 PolarHBondContact O-N 3.37Å; C66-F70 VanDerWaalsContact O-N 3.15Å; K67-F70 PolarHBondContact O-N 3.36Å; K67-F70 VanDerWaalsContact O-N 3.14Å; L68-F70 VanDerWaalsContact C-N 3.27Å; L68-F70 PolarHBondContact O-N 3.15Å; F70-L153 HydrophobicContact CD2-CD2 4.32Å; F70-L153 HydrophobicContact CE2-CD2 3.54Å; F70-L153 HydrophobicContact CZ-CD1 4.11Å; F70-L153 HydrophobicContact CZ-CD2 3.76Å
71E63.6Low71.1Confident120 Ų12074.1 Ų74.156%0.56135%0.354SS*.Hα-helixtrans-79.4-20.9-180-70.7177.9147.500113.5K67 L68 R73K67-E71 WeakPolarHBondContact CE-OE1 3.43Å; K67-E71 WeakPolarHBondContact CE-OE2 3.42Å; K67-E71 HydrophobicContact CG-CG 4.4Å; K67-E71 IonicContact NZ-OE1 3.72Å; K67-E71 PolarHBondContact NZ-OE1 3.42Å; K67-E71 PolarHBondContact O-N 3.31Å; L68-E71 PolarHBondContact O-N 3.27Å; E71-R73 PolarHBondContact O-N 3.22Å
72G53.5Low70.6Confident16 Ų1673.6 Ų73.617%0.16536%0.357CS..THydrogen-bonded Turntrans-87.192.9-169.700000116.6L68 Q86L68-G72 PolarHBondContact O-N 3.1Å; L68-G72 VanDerWaalsContact O-N 3.11Å; G72-Q86 PolarHBondContact O-NE2 3.46Å
73R52.1Low70.1Confident223 Ų22375.1 Ų75.184%0.84236%0.363SS*.THydrogen-bonded Turntrans-143.7-13.6155.4-77.6-159.1-176.8177.26.6117.3E71E71-R73 PolarHBondContact O-N 3.22Å
74L47.9Very low69.5Low177 Ų17773 Ų7393%0.92736%0.356SS*.SBendtrans-107.71.9-161.9-70.8166.9000116.3
75A51.3Low68.9Low85 Ų8568.3 Ų68.370%0.70235%0.345SS*.SBendtrans-110.5-5.7-168.900000116.2
76Y55.6Low68.4Low71 Ų7169.9 Ų69.928%0.27835%0.352SS..  trans-108.1140.3-171.3-54.5-65.3000111.9A82 S85Y76-A82 HydrophobicContact CD2-CB 4.06Å; Y76-A82 HydrophobicContact CG-CB 4.28Å; Y76-S85 VanDerWaalsContact CE1-OG 3.24Å; Y76-S85 WeakPolarHBondContact CE1-OG 3.43Å; Y76-S85 WeakPolarHBondContact CE2-OG 3.35Å
77V63.2Low68.1Low94 Ų9471 Ų7157%0.5736%0.356SS*.SBendtrans-88.4-25.1-171.5-177.20000112E81V77-E81 PolarHBondContact N-OE2 3.35Å
78S77.8Confident67.9Low11 Ų1165.4 Ų65.48%0.07733%0.331CS..SBendtrans-126.9161.8173.1730000112.9S80 E81 A82 T225S78-S80 PolarHBondContact O-N 2.78Å; S78-E81 VanDerWaalsContact CB-OE1 3.31Å; S78-E81 WeakPolarHBondContact CB-OE1 3.32Å; S78-E81 PolarHBondContact N-OE2 3.06Å; S78-E81 PolarHBondContact O-N 3.25Å; S78-E81 WeakPolarHBondContact OG-CB 3.38Å; S78-E81 VanDerWaalsContact OG-CG 3.28Å; S78-E81 WeakPolarHBondContact OG-CG 3.45Å; S78-E81 PolarHBondContact OG-N 3.08Å; S78-E81 VanDerWaalsContact OG-N 3.08Å; S78-E81 PolarHBondContact OG-OE1 3.34Å; S78-A82 PolarHBondContact O-N 2.84Å; S78-T225 VanDerWaalsContact CB-CG2 3.42Å
79R82.8Confident68.1Low81 Ų8164.9 Ų64.931%0.30633%0.328SS..Hα-helixtrans-66.3-33.1176.5-55.7163.4-171.581.1-1.8110.1A82 Y83 D169 D173 E176R79-A82 WeakPolarHBondContact O-CB 3.42Å; R79-A82 PolarHBondContact O-N 3.29Å; R79-Y83 VanDerWaalsContact O-CD2 3.23Å; R79-Y83 WeakPolarHBondContact O-CD2 3.37Å; R79-Y83 PolarHBondContact O-N 3.47Å; R79-D169 HydrophobicContact CB-CB 4.07Å; R79-D169 HydrophobicContact CG-CB 4.5Å; R79-D173 WeakPolarHBondContact CB-OD2 3.43Å; R79-D173 WeakPolarHBondContact CD-OD1 3.19Å; R79-D173 WeakPolarHBondContact CG-OD1 3.47Å; R79-D173 IonicContact CZ-OD1 3.59Å; R79-D173 PolarHBondContact N-OD1 3.12Å; R79-D173 PolarHBondContact N-OD2 3.4Å; R79-D173 VanDerWaalsContact N-OD2 3.08Å; R79-D173 IonicContact NH1-OD1 2.66Å; R79-D173 PolarHBondContact NH1-OD1 2.65Å; R79-E176 IonicContact CZ-OE1 2.63Å; R79-E176 VanDerWaalsContact CZ-OE1 3.25Å; R79-E176 IonicContact NH1-OE1 3.89Å; R79-E176 PolarHBondContact NH1-OE1 3.49Å; R79-E176 IonicContact NH2-OE1 2.66Å; R79-E176 PolarHBondContact NH2-OE1 3.45Å
80S82.1Confident68.2Low0 Ų065.1 Ų65.10%033%0.332CS..Hα-helixtrans-67.5-44.8178.5-59.70000112.1S78 A82 Y83 M84 D173 L232S78-S80 PolarHBondContact O-N 2.78Å; S80-A82 VanDerWaalsContact C-N 3.3Å; S80-A82 PolarHBondContact O-N 3.3Å; S80-Y83 PolarHBondContact O-N 3.37Å; S80-M84 WeakPolarHBondContact O-CG 3.5Å; S80-M84 PolarHBondContact O-N 3.19Å; S80-D173 VanDerWaalsContact CB-OD2 3.23Å; S80-D173 WeakPolarHBondContact CB-OD2 3.37Å; S80-D173 PolarHBondContact N-OD2 3.06Å; S80-D173 PolarHBondContact OG-OD2 3.38Å; S80-L232 VanDerWaalsContact CA-CD1 3.45Å
81E78.1Confident68.6Low44 Ų4458.8 Ų58.821%0.20631%0.306CS..Hα-helixtrans-61.8-38172.9-73.4146.8-127.100111.8V77 S78 M84 S85 T225 A228V77-E81 PolarHBondContact N-OE2 3.35Å; S78-E81 VanDerWaalsContact CB-OE1 3.31Å; S78-E81 WeakPolarHBondContact CB-OE1 3.32Å; S78-E81 PolarHBondContact N-OE2 3.06Å; S78-E81 PolarHBondContact O-N 3.25Å; S78-E81 WeakPolarHBondContact OG-CB 3.38Å; S78-E81 VanDerWaalsContact OG-CG 3.28Å; S78-E81 WeakPolarHBondContact OG-CG 3.45Å; S78-E81 PolarHBondContact OG-N 3.08Å; S78-E81 VanDerWaalsContact OG-N 3.08Å; S78-E81 PolarHBondContact OG-OE1 3.34Å; E81-M84 PolarHBondContact O-N 3.03Å; E81-S85 WeakPolarHBondContact O-CB 3.38Å; E81-S85 PolarHBondContact O-N 2.93Å; E81-S85 PolarHBondContact O-OG 2.82Å; E81-T225 WeakPolarHBondContact OE1-CA 3.46Å; E81-T225 PolarHBondContact OE1-OG1 3.23Å; E81-A228 HydrophobicContact CG-CB 4.21Å
82A75.9Confident69.4Low23 Ų2353.1 Ų53.119%0.1928%0.279CS..Hα-helixtrans-62.9-45.3173.300000111.8Y76 S78 R79 S80 M84 S85 Q86Y76-A82 HydrophobicContact CD2-CB 4.06Å; Y76-A82 HydrophobicContact CG-CB 4.28Å; S78-A82 PolarHBondContact O-N 2.84Å; R79-A82 WeakPolarHBondContact O-CB 3.42Å; R79-A82 PolarHBondContact O-N 3.29Å; S80-A82 VanDerWaalsContact C-N 3.3Å; S80-A82 PolarHBondContact O-N 3.3Å; A82-M84 PolarHBondContact O-N 3.24Å; A82-S85 WeakPolarHBondContact CA-OG 3.36Å; A82-S85 PolarHBondContact O-N 3.12Å; A82-S85 PolarHBondContact O-OG 3.09Å; A82-S85 VanDerWaalsContact O-OG 3.11Å; A82-Q86 WeakPolarHBondContact O-CB 3.34Å; A82-Q86 VanDerWaalsContact O-CG 3.23Å; A82-Q86 WeakPolarHBondContact O-CG 3.5Å; A82-Q86 PolarHBondContact O-N 3.03Å
83Y75.3Confident70.6Confident33 Ų3357.2 Ų57.213%0.12930%0.298CS..Hα-helixtrans-63.7-35.8176.6-85-63.7000113.8R79 S80 T166 D169R79-Y83 VanDerWaalsContact O-CD2 3.23Å; R79-Y83 WeakPolarHBondContact O-CD2 3.37Å; R79-Y83 PolarHBondContact O-N 3.47Å; S80-Y83 PolarHBondContact O-N 3.37Å; Y83-T166 HydrophobicContact CD1-CG2 4.28Å; Y83-T166 HydrophobicContact CD2-CG2 3.61Å; Y83-T166 HydrophobicContact CE1-CG2 4.17Å; Y83-T166 HydrophobicContact CE2-CG2 3.49Å; Y83-T166 VanDerWaalsContact CE2-CG2 3.49Å; Y83-T166 HydrophobicContact CG-CG2 4.02Å; Y83-T166 PolarHBondContact OH-OG1 3.31Å; Y83-D169 HydrophobicContact CE2-CB 4.05Å; Y83-D169 PolarHBondContact OH-OD2 2.88Å
84M71.9Confident71.7Confident69 Ų6952.2 Ų52.234%0.3429%0.287SS..Hα-helixtrans-69.5-46.1175.8-70.2-172.572.700112.2S80 E81 A82 A228 W231 L232S80-M84 WeakPolarHBondContact O-CG 3.5Å; S80-M84 PolarHBondContact O-N 3.19Å; E81-M84 PolarHBondContact O-N 3.03Å; A82-M84 PolarHBondContact O-N 3.24Å; M84-A228 WeakPolarHBondContact SD-CA 3.3Å; M84-A228 HydrophobicContact SD-CB 3.51Å; M84-A228 VanDerWaalsContact SD-CB 3.51Å; M84-W231 HydrophobicContact CE-CB 4.22Å; M84-W231 HydrophobicContact CE-CD2 3.67Å; M84-W231 HydrophobicContact CE-CE3 3.75Å; M84-W231 HydrophobicContact CE-CG 3.89Å; M84-W231 HydrophobicContact CE-CZ3 4.31Å; M84-W231 HydrophobicContact CG-CE3 3.69Å; M84-W231 HydrophobicContact CG-CZ3 3.88Å; M84-W231 HydrophobicContact SD-CB 4.37Å; M84-W231 HydrophobicContact SD-CD2 4.38Å; M84-W231 HydrophobicContact SD-CE3 4.03Å; M84-L232 HydrophobicContact CG-CD2 4.08Å; M84-L232 HydrophobicContact CG-CG 4.21Å
85S68.2Low73.3Confident42 Ų4245 Ų4529%0.29425%0.248SC..Hα-helixtrans-73.1-28.2-178.154.80000113.6Y76 E81 A82 N87Y76-S85 VanDerWaalsContact CE1-OG 3.24Å; Y76-S85 WeakPolarHBondContact CE1-OG 3.43Å; Y76-S85 WeakPolarHBondContact CE2-OG 3.35Å; E81-S85 WeakPolarHBondContact O-CB 3.38Å; E81-S85 PolarHBondContact O-N 2.93Å; E81-S85 PolarHBondContact O-OG 2.82Å; A82-S85 WeakPolarHBondContact CA-OG 3.36Å; A82-S85 PolarHBondContact O-N 3.12Å; A82-S85 PolarHBondContact O-OG 3.09Å; A82-S85 VanDerWaalsContact O-OG 3.11Å; S85-N87 VanDerWaalsContact C-N 3.31Å; S85-N87 PolarHBondContact O-N 3.09Å
86Q69.2Low74.8Confident32 Ų3243.9 Ų43.915%0.1523%0.23CC..THydrogen-bonded Turntrans-92.725.3178.4-60.3-173.6-4.500113.5G72 A82 Y88G72-Q86 PolarHBondContact O-NE2 3.46Å; A82-Q86 WeakPolarHBondContact O-CB 3.34Å; A82-Q86 VanDerWaalsContact O-CG 3.23Å; A82-Q86 WeakPolarHBondContact O-CG 3.5Å; A82-Q86 PolarHBondContact O-N 3.03Å; Q86-Y88 HydrophobicContact CB-CD2 4.11Å; Q86-Y88 HydrophobicContact CB-CE2 3.73Å; Q86-Y88 HydrophobicContact CG-CE2 3.87Å; Q86-Y88 WeakPolarHBondContact O-CD2 3.23Å; Q86-Y88 PolarHBondContact O-N 3.11Å
87N73.4Confident76Confident57 Ų5745.7 Ų45.731%0.30525%0.248SC..  trans-72.939.6174.8-166.918.8000113.5S85 L89 G90 C91S85-N87 VanDerWaalsContact C-N 3.31Å; S85-N87 PolarHBondContact O-N 3.09Å; N87-L89 PolarHBondContact O-N 2.81Å; N87-L89 VanDerWaalsContact O-N 3.16Å; N87-G90 WeakPolarHBondContact O-CA 3.46Å; N87-G90 PolarHBondContact O-N 3.21Å; N87-G90 PolarHBondContact OD1-N 3.08Å; N87-C91 PolarHBondContact O-N 3.29Å; N87-C91 VanDerWaalsContact O-N 3.16Å; N87-C91 PolarHBondContact O-SG 3.45Å; N87-C91 VanDerWaalsContact O-SG 3.41Å
88Y74.2Confident77Confident7 Ų741.7 Ų41.73%0.02722%0.224CC..Hα-helixtrans-56.1-31.2177.2-54-63.6000112.1L3 V65 L68 A69 Q86 C91 I92L3-Y88 HydrophobicContact CD1-CD1 3.7Å; L3-Y88 HydrophobicContact CD1-CE1 3.75Å; V65-Y88 HydrophobicContact CG1-CD1 4.48Å; L68-Y88 HydrophobicContact CB-CE1 3.84Å; L68-Y88 PolarHBondContact O-OH 2.98Å; A69-Y88 HydrophobicContact CB-CD2 4.16Å; A69-Y88 HydrophobicContact CB-CE2 4.12Å; Q86-Y88 HydrophobicContact CB-CD2 4.11Å; Q86-Y88 HydrophobicContact CB-CE2 3.73Å; Q86-Y88 HydrophobicContact CG-CE2 3.87Å; Q86-Y88 WeakPolarHBondContact O-CD2 3.23Å; Q86-Y88 PolarHBondContact O-N 3.11Å; Y88-C91 WeakPolarHBondContact O-CB 3.25Å; Y88-C91 PolarHBondContact O-N 3.45Å; Y88-I92 VanDerWaalsContact O-CG1 3.28Å; Y88-I92 WeakPolarHBondContact O-CG1 3.38Å; Y88-I92 PolarHBondContact O-N 3.06Å
89L76.5Confident77.4Confident20 Ų2041.2 Ų41.211%0.10522%0.22CC..Hα-helixtrans-65.1-37.9174.4-171.663.1000111.9N87 I92 N93 T151 V154 S158N87-L89 PolarHBondContact O-N 2.81Å; N87-L89 VanDerWaalsContact O-N 3.16Å; L89-I92 PolarHBondContact O-N 2.87Å; L89-N93 WeakPolarHBondContact O-CB 3.2Å; L89-N93 PolarHBondContact O-N 3.43Å; L89-N93 PolarHBondContact O-ND2 3.14Å; L89-T151 HydrophobicContact CD1-CG2 4.24Å; L89-V154 HydrophobicContact CB-CG1 4Å; L89-S158 WeakPolarHBondContact CD2-OG 3.42Å
90G73.3Confident77.6Confident14 Ų1440.7 Ų40.714%0.14422%0.223CC..Hα-helixtrans-61.6-44.6169.900000111.9N87 I92 N93 N94N87-G90 WeakPolarHBondContact O-CA 3.46Å; N87-G90 PolarHBondContact O-N 3.21Å; N87-G90 PolarHBondContact OD1-N 3.08Å; G90-I92 VanDerWaalsContact C-N 3.34Å; G90-I92 PolarHBondContact O-N 3.47Å; G90-N93 PolarHBondContact O-N 2.95Å; G90-N94 WeakPolarHBondContact O-CB 3.32Å; G90-N94 PolarHBondContact O-N 2.96Å; G90-N94 PolarHBondContact O-OD1 3.49Å
91C73.8Confident77.7Confident16 Ų1645.4 Ų45.411%0.10824%0.241CC..Hα-helixtrans-62.1-38.3176.6-51.40000112.8L3 W61 N87 Y88 R95L3-C91 HydrophobicContact CD2-CB 4.29Å; W61-C91 HydrophobicContact CZ2-CB 4.1Å; N87-C91 PolarHBondContact O-N 3.29Å; N87-C91 VanDerWaalsContact O-N 3.16Å; N87-C91 PolarHBondContact O-SG 3.45Å; N87-C91 VanDerWaalsContact O-SG 3.41Å; Y88-C91 WeakPolarHBondContact O-CB 3.25Å; Y88-C91 PolarHBondContact O-N 3.45Å; C91-R95 PolarHBondContact O-N 3.4Å
92I80.8Confident78.2Confident1 Ų143.3 Ų43.31%0.00523%0.231CC..Hα-helixtrans-64.5-50.6173.3-69.3165.8000110.6W61 V65 Y88 L89 G90 N94 R95 D96 W147 I150 V154W61-I92 HydrophobicContact CH2-CB 4.49Å; W61-I92 HydrophobicContact CH2-CG1 3.91Å; W61-I92 HydrophobicContact CZ3-CG1 4.38Å; V65-I92 HydrophobicContact CG1-CD1 4.37Å; Y88-I92 VanDerWaalsContact O-CG1 3.28Å; Y88-I92 WeakPolarHBondContact O-CG1 3.38Å; Y88-I92 PolarHBondContact O-N 3.06Å; L89-I92 PolarHBondContact O-N 2.87Å; G90-I92 VanDerWaalsContact C-N 3.34Å; G90-I92 PolarHBondContact O-N 3.47Å; I92-N94 VanDerWaalsContact C-N 3.29Å; I92-N94 PolarHBondContact O-N 3.11Å; I92-R95 PolarHBondContact O-N 2.9Å; I92-D96 PolarHBondContact O-N 3.35Å; I92-W147 HydrophobicContact CG2-CH2 4.24Å; I92-W147 HydrophobicContact CG2-CZ2 3.52Å; I92-W147 WeakPolarHBondContact O-CH2 3.34Å; I92-W147 VanDerWaalsContact O-CZ2 3.31Å; I92-W147 WeakPolarHBondContact O-CZ2 3.33Å; I92-I150 HydrophobicContact CD1-CG2 4.22Å; I92-V154 HydrophobicContact CD1-CB 4.29Å; I92-V154 HydrophobicContact CD1-CG1 4.22Å; I92-V154 HydrophobicContact CD1-CG2 4.35Å
93N79.2Confident78.9Confident102 Ų10245.4 Ų45.455%0.54524%0.235SC..Hα-helixtrans-59.2-39.3178.3-68.5-21.6000112.3L89 G90 R95 D96L89-N93 WeakPolarHBondContact O-CB 3.2Å; L89-N93 PolarHBondContact O-N 3.43Å; L89-N93 PolarHBondContact O-ND2 3.14Å; G90-N93 PolarHBondContact O-N 2.95Å; N93-R95 PolarHBondContact O-N 3.4Å; N93-D96 PolarHBondContact O-N 2.93Å
94N76.2Confident79.5Confident117 Ų11746.6 Ų46.663%0.62625%0.247SC*.Hα-helixtrans-63-26.9176.7-72.9-8.7000113.1G90 I92G90-N94 WeakPolarHBondContact O-CB 3.32Å; G90-N94 PolarHBondContact O-N 2.96Å; G90-N94 PolarHBondContact O-OD1 3.49Å; I92-N94 VanDerWaalsContact C-N 3.29Å; I92-N94 PolarHBondContact O-N 3.11Å
95R79.9Confident80.1Confident25 Ų2543.7 Ų43.79%0.09423%0.234CC..Hα-helixtrans-98.20.6180-68-151.776.4164.78.8115.2E57 W61 C91 I92 N93 V97 D98 L99 W147E57-R95 IonicContact OE1-CZ 3.85Å; E57-R95 IonicContact OE1-NH1 3.64Å; E57-R95 PolarHBondContact OE1-NH1 2.67Å; E57-R95 VanDerWaalsContact OE1-NH1 3.16Å; E57-R95 IonicContact OE1-NH2 3.55Å; E57-R95 PolarHBondContact OE1-NH2 3.09Å; W61-R95 HydrophobicContact CH2-CB 4.29Å; W61-R95 HydrophobicContact CH2-CG 4.23Å; W61-R95 HydrophobicContact CZ2-CG 3.99Å; W61-R95 HydrophobicContact CZ3-CB 4.49Å; C91-R95 PolarHBondContact O-N 3.4Å; I92-R95 PolarHBondContact O-N 2.9Å; N93-R95 PolarHBondContact O-N 3.4Å; R95-V97 PolarHBondContact O-N 3.16Å; R95-V97 VanDerWaalsContact O-N 3.1Å; R95-D98 IonicContact CZ-OD2 2.66Å; R95-D98 VanDerWaalsContact CZ-OD2 3.24Å; R95-D98 IonicContact NE-OD2 3.18Å; R95-D98 PolarHBondContact NE-OD2 2.91Å; R95-D98 IonicContact NH2-OD2 3.93Å; R95-D98 PolarHBondContact NH2-OD2 3.06Å; R95-D98 WeakPolarHBondContact O-CB 3.35Å; R95-D98 PolarHBondContact O-N 3.07Å; R95-L99 PolarHBondContact O-N 3.28Å; R95-W147 HydrophobicContact CB-CH2 3.8Å; R95-W147 HydrophobicContact CB-CZ3 4.26Å
96D83.9Confident81Confident63 Ų6341.7 Ų41.734%0.33722%0.22SC..Hα-helixtrans-59.3-25.1176.3-178.957.1000112.3I92 N93 D98 L99 N100 R103 W147I92-D96 PolarHBondContact O-N 3.35Å; N93-D96 PolarHBondContact O-N 2.93Å; D96-D98 VanDerWaalsContact C-N 3.3Å; D96-D98 PolarHBondContact O-N 2.93Å; D96-L99 PolarHBondContact O-N 3.45Å; D96-N100 WeakPolarHBondContact O-CB 3.31Å; D96-N100 PolarHBondContact O-N 3.25Å; D96-N100 PolarHBondContact O-ND2 2.91Å; D96-N100 PolarHBondContact OD1-ND2 3.23Å; D96-N100 PolarHBondContact OD2-ND2 3.29Å; D96-R103 IonicContact OD1-NH1 2.75Å; D96-W147 HydrophobicContact CB-CZ2 4.32Å
97V80.7Confident81.7Confident109 Ų10944.7 Ų44.766%0.66124%0.237SC*.Hα-helixtrans-58.3-39.6170.5-177.30000112.1R95 R101R95-V97 PolarHBondContact O-N 3.16Å; R95-V97 VanDerWaalsContact O-N 3.1Å; V97-R101 WeakPolarHBondContact O-CB 3.47Å; V97-R101 PolarHBondContact O-N 2.86Å
98D82.7Confident82.2Confident9 Ų946 Ų465%0.04824%0.241CC..Hα-helixtrans-73.7-38178-71.3-37.2000111.7L54 L58 R95 D96 R101 L102L54-D98 HydrophobicContact CD1-CB 4.21Å; L58-D98 HydrophobicContact CD1-CB 4.42Å; L58-D98 HydrophobicContact CD2-CB 3.98Å; R95-D98 IonicContact CZ-OD2 2.66Å; R95-D98 VanDerWaalsContact CZ-OD2 3.24Å; R95-D98 IonicContact NE-OD2 3.18Å; R95-D98 PolarHBondContact NE-OD2 2.91Å; R95-D98 IonicContact NH2-OD2 3.93Å; R95-D98 PolarHBondContact NH2-OD2 3.06Å; R95-D98 WeakPolarHBondContact O-CB 3.35Å; R95-D98 PolarHBondContact O-N 3.07Å; D96-D98 VanDerWaalsContact C-N 3.3Å; D96-D98 PolarHBondContact O-N 2.93Å; D98-R101 WeakPolarHBondContact O-CB 3.4Å; D98-R101 PolarHBondContact O-N 3.43Å; D98-L102 PolarHBondContact O-N 3.2Å
99L87Confident82.6Confident1 Ų145.6 Ų45.61%0.00524%0.239CC..Hα-helixtrans-63.2-44.3173.6-175.965.4000111.3R95 D96 R101 L102 R103 I143 E144 W147R95-L99 PolarHBondContact O-N 3.28Å; D96-L99 PolarHBondContact O-N 3.45Å; L99-R101 VanDerWaalsContact C-N 3.29Å; L99-R101 PolarHBondContact O-N 3.47Å; L99-L102 WeakPolarHBondContact O-CB 3.33Å; L99-L102 PolarHBondContact O-N 3.44Å; L99-L102 VanDerWaalsContact O-N 3.15Å; L99-R103 WeakPolarHBondContact O-CG 3.47Å; L99-R103 PolarHBondContact O-N 3.02Å; L99-I143 HydrophobicContact CD1-CG2 4.21Å; L99-E144 HydrophobicContact CD1-CG 4.33Å; L99-W147 HydrophobicContact CB-CE3 4.45Å; L99-W147 HydrophobicContact CB-CH2 4.43Å; L99-W147 HydrophobicContact CB-CZ3 4.34Å; L99-W147 HydrophobicContact CD1-CE3 4.49Å; L99-W147 HydrophobicContact CD2-CD2 3.7Å; L99-W147 HydrophobicContact CD2-CE3 4.22Å; L99-W147 HydrophobicContact CD2-CG 3.83Å; L99-W147 HydrophobicContact CD2-CZ2 4.3Å
100N87.1Confident82.8Confident70 Ų7046 Ų4637%0.37424%0.242SC..Hα-helixtrans-66.2-30.5174.9-70.5-46.7000112.7D96 R103 S104D96-N100 WeakPolarHBondContact O-CB 3.31Å; D96-N100 PolarHBondContact O-N 3.25Å; D96-N100 PolarHBondContact O-ND2 2.91Å; D96-N100 PolarHBondContact OD1-ND2 3.23Å; D96-N100 PolarHBondContact OD2-ND2 3.29Å; N100-R103 PolarHBondContact OD1-NH1 3.29Å; N100-S104 WeakPolarHBondContact O-CB 3.26Å; N100-S104 PolarHBondContact O-N 3Å
101R84.6Confident82.9Confident99 Ų9949.6 Ų49.637%0.37426%0.26SS..Hα-helixtrans-68-40.3169.6-172.5179-176.4173.20.5111.9L54 V97 D98 L99 S104 L105L54-R101 HydrophobicContact CD2-CB 4.08Å; L54-R101 HydrophobicContact CD2-CG 3.94Å; V97-R101 WeakPolarHBondContact O-CB 3.47Å; V97-R101 PolarHBondContact O-N 2.86Å; D98-R101 WeakPolarHBondContact O-CB 3.4Å; D98-R101 PolarHBondContact O-N 3.43Å; L99-R101 VanDerWaalsContact C-N 3.29Å; L99-R101 PolarHBondContact O-N 3.47Å; R101-S104 PolarHBondContact O-N 2.94Å; R101-L105 HydrophobicContact CG-CD1 4.44Å; R101-L105 WeakPolarHBondContact O-CG 3.3Å; R101-L105 PolarHBondContact O-N 3.23Å
102L88.6Confident82.8Confident0 Ų051.7 Ų51.70%027%0.269CS..Hα-helixtrans-62.8-47175.1-171.773.6000111.2F51 L54 L58 D98 L99 S104 L105 A106 L140 I143F51-L102 HydrophobicContact CD2-CD1 3.52Å; F51-L102 HydrophobicContact CD2-CG 4.24Å; F51-L102 HydrophobicContact CE2-CD1 3.63Å; F51-L102 HydrophobicContact CE2-CG 4.01Å; F51-L102 HydrophobicContact CG-CD1 4.41Å; L54-L102 HydrophobicContact CB-CD1 4.08Å; L54-L102 HydrophobicContact CD2-CB 3.84Å; L54-L102 HydrophobicContact CD2-CD1 4.04Å; L54-L102 HydrophobicContact CG-CB 4.28Å; L54-L102 HydrophobicContact CG-CD1 3.98Å; L58-L102 HydrophobicContact CD1-CB 4.14Å; L58-L102 HydrophobicContact CD1-CD2 4Å; D98-L102 PolarHBondContact O-N 3.2Å; L99-L102 WeakPolarHBondContact O-CB 3.33Å; L99-L102 PolarHBondContact O-N 3.44Å; L99-L102 VanDerWaalsContact O-N 3.15Å; L102-S104 VanDerWaalsContact C-N 3.31Å; L102-S104 PolarHBondContact O-N 2.91Å; L102-L105 PolarHBondContact O-N 3.44Å; L102-A106 WeakPolarHBondContact O-CB 3.46Å; L102-A106 PolarHBondContact O-N 3.17Å; L102-L140 HydrophobicContact CD2-CD1 3.95Å; L102-L140 HydrophobicContact CG-CD1 4.01Å; L102-I143 HydrophobicContact CD2-CB 4.27Å; L102-I143 HydrophobicContact CD2-CD1 3.88Å; L102-I143 HydrophobicContact CD2-CG2 3.93Å
103R89.9Confident82.1Confident68 Ų6852.3 Ų52.326%0.25727%0.274SS..Hα-helixtrans-53.6-46.5171.5-70.4170.7174.5134.36.2111.8D96 L99 N100 A106 N107 L140 E144D96-R103 IonicContact OD1-NH1 2.75Å; L99-R103 WeakPolarHBondContact O-CG 3.47Å; L99-R103 PolarHBondContact O-N 3.02Å; N100-R103 PolarHBondContact OD1-NH1 3.29Å; R103-A106 PolarHBondContact O-N 3.38Å; R103-N107 WeakPolarHBondContact O-CB 3.26Å; R103-N107 VanDerWaalsContact O-CG 3.26Å; R103-N107 PolarHBondContact O-N 3.44Å; R103-N107 PolarHBondContact O-ND2 3.14Å; R103-L140 HydrophobicContact CG-CD1 4.2Å; R103-E144 IonicContact CZ-OE1 2.8Å; R103-E144 IonicContact NE-OE1 2.8Å; R103-E144 PolarHBondContact NE-OE1 2.88Å; R103-E144 IonicContact NH2-OE1 3.15Å; R103-E144 PolarHBondContact NH2-OE1 2.89Å
104S87.3Confident81.1Confident57 Ų5749.2 Ų49.240%0.39927%0.266SS..Hα-helixtrans-63.8-41.9179.3-174.70000112.8N100 R101 L102 Q108N100-S104 WeakPolarHBondContact O-CB 3.26Å; N100-S104 PolarHBondContact O-N 3Å; R101-S104 PolarHBondContact O-N 2.94Å; L102-S104 VanDerWaalsContact C-N 3.31Å; L102-S104 PolarHBondContact O-N 2.91Å; S104-Q108 WeakPolarHBondContact O-CB 3.5Å; S104-Q108 VanDerWaalsContact O-CG 3.28Å; S104-Q108 WeakPolarHBondContact O-CG 3.43Å; S104-Q108 PolarHBondContact O-N 2.96Å; S104-Q108 PolarHBondContact O-NE2 3.5Å; S104-Q108 VanDerWaalsContact O-NE2 3.09Å; S104-Q108 PolarHBondContact OG-NE2 3.17Å; S104-Q108 VanDerWaalsContact OG-NE2 3.13Å
105L86.1Confident79.9Confident9 Ų949 Ų495%0.04726%0.259CS..Hα-helixtrans-67.5-43.5175.8-72.1170.5000112L47 Q50 F51 L54 R101 L102 Q108 L109L47-L105 HydrophobicContact CD2-CD2 3.67Å; Q50-L105 HydrophobicContact CB-CD1 3.88Å; Q50-L105 HydrophobicContact CB-CD2 4.23Å; F51-L105 HydrophobicContact CB-CB 4.37Å; F51-L105 HydrophobicContact CD2-CB 4.47Å; L54-L105 HydrophobicContact CD2-CD1 3.94Å; R101-L105 HydrophobicContact CG-CD1 4.44Å; R101-L105 WeakPolarHBondContact O-CG 3.3Å; R101-L105 PolarHBondContact O-N 3.23Å; L102-L105 PolarHBondContact O-N 3.44Å; L105-Q108 PolarHBondContact O-N 3.3Å; L105-L109 WeakPolarHBondContact O-CG 3.44Å; L105-L109 PolarHBondContact O-N 3.36Å
106A85.9Confident78.4Confident0 Ų052 Ų520%028%0.281CS..Hα-helixtrans-59.7-47.5176.200000111.5F51 L102 R103 Q108 L109 L110 I136 L140F51-A106 HydrophobicContact CD2-CB 4.15Å; F51-A106 HydrophobicContact CE2-CB 3.79Å; L102-A106 WeakPolarHBondContact O-CB 3.46Å; L102-A106 PolarHBondContact O-N 3.17Å; R103-A106 PolarHBondContact O-N 3.38Å; A106-Q108 PolarHBondContact O-N 2.98Å; A106-L109 PolarHBondContact O-N 3.03Å; A106-L110 WeakPolarHBondContact O-CB 3.41Å; A106-L110 VanDerWaalsContact O-CG 3.31Å; A106-L110 WeakPolarHBondContact O-CG 3.42Å; A106-L110 PolarHBondContact O-N 3.21Å; A106-I136 HydrophobicContact CB-CG2 3.94Å; A106-L140 HydrophobicContact CB-CB 4.41Å; A106-L140 HydrophobicContact CB-CD1 4.28Å; A106-L140 HydrophobicContact CB-CD2 3.87Å; A106-L140 HydrophobicContact CB-CG 4.42Å
107N84.8Confident76.2Confident95 Ų9551.6 Ų51.651%0.50828%0.283SS..Hα-helixtrans-61.9-41.9177-73.9-27000112.2R103 L109 L110 V111R103-N107 WeakPolarHBondContact O-CB 3.26Å; R103-N107 VanDerWaalsContact O-CG 3.26Å; R103-N107 PolarHBondContact O-N 3.44Å; R103-N107 PolarHBondContact O-ND2 3.14Å; N107-L109 VanDerWaalsContact C-N 3.34Å; N107-L109 PolarHBondContact O-N 3.46Å; N107-L110 PolarHBondContact O-N 3.1Å; N107-V111 WeakPolarHBondContact O-CB 3.37Å; N107-V111 VanDerWaalsContact O-CG2 3.26Å; N107-V111 WeakPolarHBondContact O-CG2 3.32Å; N107-V111 PolarHBondContact O-N 3.08Å
108Q83.2Confident74.5Confident83 Ų8354.8 Ų54.839%0.38830%0.296SS..Hα-helixtrans-61.2-42.1174.5-75.6169.266.400112L47 S104 L105 A106 M112L47-Q108 HydrophobicContact CD1-CB 4.41Å; S104-Q108 WeakPolarHBondContact O-CB 3.5Å; S104-Q108 VanDerWaalsContact O-CG 3.28Å; S104-Q108 WeakPolarHBondContact O-CG 3.43Å; S104-Q108 PolarHBondContact O-N 2.96Å; S104-Q108 PolarHBondContact O-NE2 3.5Å; S104-Q108 VanDerWaalsContact O-NE2 3.09Å; S104-Q108 PolarHBondContact OG-NE2 3.17Å; S104-Q108 VanDerWaalsContact OG-NE2 3.13Å; L105-Q108 PolarHBondContact O-N 3.3Å; A106-Q108 PolarHBondContact O-N 2.98Å; Q108-M112 WeakPolarHBondContact O-CB 3.48Å; Q108-M112 VanDerWaalsContact O-CG 3.31Å; Q108-M112 WeakPolarHBondContact O-CG 3.34Å; Q108-M112 PolarHBondContact O-N 2.91Å
109L82.6Confident72.4Confident0 Ų058.4 Ų58.40%032%0.322CS..Hα-helixtrans-68.3-41.5177.9-72.1165.3000112.8Y44 L47 F48 F51 L105 A106 N107 M112 S113 I136Y44-L109 HydrophobicContact CD2-CD2 3.69Å; Y44-L109 HydrophobicContact CE2-CB 4.38Å; Y44-L109 HydrophobicContact CE2-CD2 3.66Å; Y44-L109 HydrophobicContact CG-CD2 4.21Å; L47-L109 HydrophobicContact CB-CD2 3.7Å; L47-L109 HydrophobicContact CB-CG 4.11Å; F48-L109 HydrophobicContact CB-CD1 4.45Å; F48-L109 HydrophobicContact CB-CD2 4.07Å; F48-L109 HydrophobicContact CD2-CD1 4.48Å; F51-L109 HydrophobicContact CB-CD1 3.57Å; F51-L109 HydrophobicContact CD1-CD1 4.37Å; F51-L109 HydrophobicContact CG-CD1 3.93Å; L105-L109 WeakPolarHBondContact O-CG 3.44Å; L105-L109 PolarHBondContact O-N 3.36Å; A106-L109 PolarHBondContact O-N 3.03Å; N107-L109 VanDerWaalsContact C-N 3.34Å; N107-L109 PolarHBondContact O-N 3.46Å; L109-M112 CarbonylContact O-C 3.5Å; L109-M112 PolarHBondContact O-N 2.88Å; L109-S113 WeakPolarHBondContact O-CB 3.47Å; L109-S113 PolarHBondContact O-N 3.36Å; L109-I136 HydrophobicContact CB-CD1 3.87Å; L109-I136 HydrophobicContact CB-CG2 4.48Å; L109-I136 HydrophobicContact CD1-CD1 4.35Å
110L80.2Confident69.8Low29 Ų2963 Ų6315%0.15236%0.36CS..Hα-helixtrans-66.4-35.8177.5-71.2168.1000112.6A106 N107 S113 K115 I136A106-L110 WeakPolarHBondContact O-CB 3.41Å; A106-L110 VanDerWaalsContact O-CG 3.31Å; A106-L110 WeakPolarHBondContact O-CG 3.42Å; A106-L110 PolarHBondContact O-N 3.21Å; N107-L110 PolarHBondContact O-N 3.1Å; L110-S113 PolarHBondContact O-OG 3.48Å; L110-S113 VanDerWaalsContact O-OG 3.11Å; L110-K115 HydrophobicContact CD2-CD 4.37Å; L110-K115 PolarHBondContact O-N 3.49Å; L110-I136 HydrophobicContact CD2-CG2 4.48Å; L110-I136 HydrophobicContact CG-CG2 4.22Å
111V77.1Confident67.6Low89 Ų8965.7 Ų65.754%0.53938%0.379SS..Hα-helixtrans-67-43.5170.6170.90000110.5N107 S113 G114 T116N107-V111 WeakPolarHBondContact O-CB 3.37Å; N107-V111 VanDerWaalsContact O-CG2 3.26Å; N107-V111 WeakPolarHBondContact O-CG2 3.32Å; N107-V111 PolarHBondContact O-N 3.08Å; V111-S113 VanDerWaalsContact C-N 3.33Å; V111-S113 PolarHBondContact O-N 3.41Å; V111-G114 PolarHBondContact O-N 3.07Å; V111-T116 HydrophobicContact CG2-CG2 4.5Å
112M71.6Confident65.6Low59 Ų5965 Ų6529%0.29139%0.386SS..Hα-helixtrans-70.8-22.4178-75-172.970.200114.4T40 A43 Y44 L47 Q108 L109 G114T40-M112 WeakPolarHBondContact O-CE 3.4Å; A43-M112 HydrophobicContact CB-CE 3.99Å; Y44-M112 HydrophobicContact CD2-CB 3.9Å; Y44-M112 HydrophobicContact CE2-CB 4.44Å; L47-M112 HydrophobicContact CD1-SD 3.67Å; Q108-M112 WeakPolarHBondContact O-CB 3.48Å; Q108-M112 VanDerWaalsContact O-CG 3.31Å; Q108-M112 WeakPolarHBondContact O-CG 3.34Å; Q108-M112 PolarHBondContact O-N 2.91Å; L109-M112 CarbonylContact O-C 3.5Å; L109-M112 PolarHBondContact O-N 2.88Å; M112-G114 PolarHBondContact O-N 3.31Å
113S64.8Low63.6Low15 Ų1568 Ų6811%0.10540%0.401CS..THydrogen-bonded Turntrans-82.63.6175780000113.2L109 L110 V111 K115L109-S113 WeakPolarHBondContact O-CB 3.47Å; L109-S113 PolarHBondContact O-N 3.36Å; L110-S113 PolarHBondContact O-OG 3.48Å; L110-S113 VanDerWaalsContact O-OG 3.11Å; V111-S113 VanDerWaalsContact C-N 3.33Å; V111-S113 PolarHBondContact O-N 3.41Å; S113-K115 VanDerWaalsContact C-N 3.28Å; S113-K115 PolarHBondContact O-N 3.1Å
114G58.6Low61.2Low37 Ų3768.3 Ų68.338%0.38141%0.414SS..THydrogen-bonded Turntrans77.52175.900000115.5V111 M112 T116V111-G114 PolarHBondContact O-N 3.07Å; M112-G114 PolarHBondContact O-N 3.31Å; G114-T116 PolarHBondContact O-N 3.34Å; G114-T116 VanDerWaalsContact O-N 3.09Å
115K51.9Low59Low112 Ų11269 Ų6949%0.48742%0.423SS..THydrogen-bonded Turntrans-69.4-5.2-176.8-80.6-178.1173169.50114.6L110 S113 E129L110-K115 HydrophobicContact CD2-CD 4.37Å; L110-K115 PolarHBondContact O-N 3.49Å; S113-K115 VanDerWaalsContact C-N 3.28Å; S113-K115 PolarHBondContact O-N 3.1Å; K115-E129 WeakPolarHBondContact CE-OE1 3.45Å; K115-E129 WeakPolarHBondContact CE-OE2 3.2Å; K115-E129 IonicContact NZ-OE1 2.87Å; K115-E129 PolarHBondContact NZ-OE1 2.81Å; K115-E129 IonicContact NZ-OE2 3.24Å; K115-E129 PolarHBondContact NZ-OE2 3.05Å
116T47.9Very low56.9Low88 Ų8876.2 Ų76.254%0.5446%0.456SS..THydrogen-bonded Turntrans-127.519.8-174.870.40000113.7V111 G114V111-T116 HydrophobicContact CG2-CG2 4.5Å; G114-T116 PolarHBondContact O-N 3.34Å; G114-T116 VanDerWaalsContact O-N 3.09Å
117S38.4Very low55Low54 Ų5478.5 Ų78.538%0.37847%0.472SS..  trans-150.9125.9-176.660.30000113.3S119S117-S119 PolarHBondContact O-N 3.19Å
118D43.3Very low53.1Low176 Ų17674.6 Ų74.694%0.94145%0.454SS*.SBendtrans-63.4-11.3177.5-56.9-57.9000114A120D118-A120 VanDerWaalsContact C-N 3.27Å; D118-A120 PolarHBondContact O-N 3.41Å
119S39.2Very low51.3Low86 Ų8672.9 Ų72.960%0.60145%0.445SS*.  trans-78.866.9175.158.10000112.5S117 T121S117-S119 PolarHBondContact O-N 3.19Å; S119-T121 PolarHBondContact O-N 2.94Å
120A32.8Very low49.5Very low97 Ų9779.1 Ų79.180%0.80248%0.479SS*.  trans-67.794.8173.800000111.1D118D118-A120 VanDerWaalsContact C-N 3.27Å; D118-A120 PolarHBondContact O-N 3.41Å
121T40.3Very low47.8Very low126 Ų12686 Ų8677%0.77351%0.508SS*.  trans-153.3-3.2176.8-16.60000115.8S119S119-T121 PolarHBondContact O-N 2.94Å
122V43.3Very low46.7Very low85 Ų8585.5 Ų85.552%0.51550%0.502SS..SBendtrans-132.5112.3-178.6-176.80000109.5T40T40-V122 HydrophobicContact CG2-CG1 4.41Å
123I46.5Very low46Very low62 Ų6286.1 Ų86.132%0.31852%0.523SS..SBendtrans68.7121.1-172.7-52.2161.2000112I41 A128I41-I123 HydrophobicContact CG1-CD1 4.46Å; I123-A128 HydrophobicContact CG2-CB 3.95Å
124S39.1Very low45.9Very low76 Ų7688 Ų8853%0.53153%0.534SS..  trans-71128.5169.842.80000109.3E126 S127S124-E126 PolarHBondContact O-N 3.35Å; S124-E126 VanDerWaalsContact O-N 3.09Å; S124-S127 WeakPolarHBondContact O-CB 3.42Å; S124-S127 PolarHBondContact O-N 2.88Å; S124-S127 PolarHBondContact O-OG 3.27Å; S124-S127 PolarHBondContact OG-OG 3.04Å
125A41.3Very low46.8Very low70 Ų7090.2 Ų90.258%0.57954%0.537SS*.G310 helixtrans-54.4-34.9-172.100000113.5S127A125-S127 PolarHBondContact O-N 3.22Å; A125-S127 VanDerWaalsContact O-N 3.14Å
126E41.8Very low48.2Very low161 Ų16185 Ų8575%0.75251%0.514SS*.G310 helixtrans-65.2-10.5176.9-58.6176.8134.400114.6S124 N130S124-E126 PolarHBondContact O-N 3.35Å; S124-E126 VanDerWaalsContact O-N 3.09Å; E126-N130 WeakPolarHBondContact O-CB 3.27Å; E126-N130 PolarHBondContact O-ND2 3.27Å
127S46.9Very low49.9Very low48 Ų4883.6 Ų83.634%0.33651%0.508SS..G310 helixtrans-109.5-6.3-171.1720000115.7S124 A125 F131S124-S127 WeakPolarHBondContact O-CB 3.42Å; S124-S127 PolarHBondContact O-N 2.88Å; S124-S127 PolarHBondContact O-OG 3.27Å; S124-S127 PolarHBondContact OG-OG 3.04Å; A125-S127 PolarHBondContact O-N 3.22Å; A125-S127 VanDerWaalsContact O-N 3.14Å; S127-F131 WeakPolarHBondContact O-CB 3.47Å
128A44.3Very low52.1Low14 Ų1483.3 Ų83.312%0.11651%0.506CS..THydrogen-bonded Turntrans-106.6-51.4-178.100000113.1I123 F131I123-A128 HydrophobicContact CG2-CB 3.95Å; A128-F131 WeakPolarHBondContact O-CB 3.21Å; A128-F131 PolarHBondContact O-N 3.12Å
129E44.8Very low54.1Low46 Ų4676.4 Ų76.422%0.21547%0.467CS..SBendtrans-73-41.7-178.1-61.1-171.8145.800111.1K115 F131 L132 G133K115-E129 WeakPolarHBondContact CE-OE1 3.45Å; K115-E129 WeakPolarHBondContact CE-OE2 3.2Å; K115-E129 IonicContact NZ-OE1 2.87Å; K115-E129 PolarHBondContact NZ-OE1 2.81Å; K115-E129 IonicContact NZ-OE2 3.24Å; K115-E129 PolarHBondContact NZ-OE2 3.05Å; E129-F131 PolarHBondContact O-N 3.44Å; E129-F131 VanDerWaalsContact O-N 3.15Å; E129-L132 PolarHBondContact O-N 2.91Å; E129-G133 PolarHBondContact O-N 2.81Å
130N46.2Very low56.5Low132 Ų13273.2 Ų73.271%0.70644%0.443SS*.THydrogen-bonded Turntrans-61.5-19.1171.3-70.2-26.4000113.7E126 L132E126-N130 WeakPolarHBondContact O-CB 3.27Å; E126-N130 PolarHBondContact O-ND2 3.27Å; N130-L132 VanDerWaalsContact C-N 3.33Å
131F43.3Very low59.2Low174 Ų17474.5 Ų74.576%0.76343%0.433SS*.THydrogen-bonded Turntrans-82.2-14.3-179.1-138.5-83.9000113.1S127 A128 E129S127-F131 WeakPolarHBondContact O-CB 3.47Å; A128-F131 WeakPolarHBondContact O-CB 3.21Å; A128-F131 PolarHBondContact O-N 3.12Å; E129-F131 PolarHBondContact O-N 3.44Å; E129-F131 VanDerWaalsContact O-N 3.15Å
132L53.7Low61.6Low77 Ų7772.1 Ų72.140%0.40341%0.412SS..THydrogen-bonded Turntrans-132.5-12.9-169.5-68.2164.8000113.6Y44 F48 E129 N130 V134Y44-L132 HydrophobicContact CE1-CD1 4.04Å; F48-L132 HydrophobicContact CD1-CD1 3.8Å; F48-L132 HydrophobicContact CD1-CD2 4.22Å; F48-L132 HydrophobicContact CD1-CG 4.48Å; F48-L132 HydrophobicContact CD2-CD1 4.05Å; F48-L132 HydrophobicContact CE1-CB 3.95Å; F48-L132 HydrophobicContact CE1-CD1 3.79Å; F48-L132 HydrophobicContact CE1-CD2 3.85Å; F48-L132 HydrophobicContact CE1-CG 4.07Å; F48-L132 HydrophobicContact CE2-CB 4.28Å; F48-L132 HydrophobicContact CE2-CD1 4.04Å; F48-L132 HydrophobicContact CG-CD1 3.94Å; F48-L132 HydrophobicContact CZ-CB 3.67Å; F48-L132 HydrophobicContact CZ-CD1 3.92Å; F48-L132 HydrophobicContact CZ-CD2 4.44Å; F48-L132 HydrophobicContact CZ-CG 4.21Å; E129-L132 PolarHBondContact O-N 2.91Å; N130-L132 VanDerWaalsContact C-N 3.33Å; L132-V134 PolarHBondContact O-N 2.98Å; L132-V134 VanDerWaalsContact O-N 3.1Å
133G56.8Low63.7Low72 Ų7268 Ų6874%0.74239%0.388SS*.  trans71.41.716900000116.2E129E129-G133 PolarHBondContact O-N 2.81Å
134V63.3Low65.8Low55 Ų5567.6 Ų67.633%0.33339%0.385SS..  trans-116.7116.6-178.6-178.30000110.3F48 L132 I136 R139F48-V134 HydrophobicContact CZ-CB 4.11Å; L132-V134 PolarHBondContact O-N 2.98Å; L132-V134 VanDerWaalsContact O-N 3.1Å; V134-I136 PolarHBondContact O-N 2.96Å; V134-R139 HydrophobicContact CG1-CB 4.05Å; V134-R139 HydrophobicContact CG1-CG 4.28Å
135N77.9Confident68.3Low84 Ų8467.2 Ų67.245%0.44938%0.379SS..  trans-75.2105.9170.1179-13.8000109.4S137 S138 R139N135-S137 PolarHBondContact O-N 2.84Å; N135-S137 WeakPolarHBondContact OD1-CB 3.49Å; N135-S137 PolarHBondContact OD1-N 3.29Å; N135-S138 WeakPolarHBondContact O-CB 3.34Å; N135-S138 PolarHBondContact O-N 3.48Å; N135-S138 VanDerWaalsContact O-N 3.12Å; N135-S138 PolarHBondContact OD1-N 3.11Å; N135-R139 WeakPolarHBondContact O-CB 3.33Å; N135-R139 PolarHBondContact O-N 2.61Å
136I81.2Confident70.5Confident1 Ų166.2 Ų66.21%0.00536%0.363CS..Hα-helixtrans-53.8-37-178.7-65.8149.2000112.2Y44 F48 F51 A106 L109 L110 V134 L140Y44-I136 WeakPolarHBondContact OH-CD1 3.49Å; F48-I136 HydrophobicContact CD2-CD1 4.3Å; F48-I136 HydrophobicContact CD2-CG1 4.36Å; F48-I136 HydrophobicContact CE2-CD1 4.42Å; F48-I136 HydrophobicContact CE2-CG1 4.18Å; F51-I136 HydrophobicContact CD1-CG1 4.43Å; F51-I136 HydrophobicContact CE1-CB 4.31Å; F51-I136 HydrophobicContact CE1-CG1 4.19Å; F51-I136 HydrophobicContact CE1-CG2 4.11Å; F51-I136 HydrophobicContact CE2-CG2 4.21Å; F51-I136 HydrophobicContact CZ-CB 4.45Å; F51-I136 HydrophobicContact CZ-CG2 3.9Å; A106-I136 HydrophobicContact CB-CG2 3.94Å; L109-I136 HydrophobicContact CB-CD1 3.87Å; L109-I136 HydrophobicContact CB-CG2 4.48Å; L109-I136 HydrophobicContact CD1-CD1 4.35Å; L110-I136 HydrophobicContact CD2-CG2 4.48Å; L110-I136 HydrophobicContact CG-CG2 4.22Å; V134-I136 PolarHBondContact O-N 2.96Å; I136-L140 WeakPolarHBondContact O-CB 3.27Å; I136-L140 PolarHBondContact O-N 2.94Å
137S83.5Confident72.9Confident59 Ų5959.3 Ų59.341%0.41333%0.33SS..Hα-helixtrans-72.7-40.8-179.7-165.60000112N135 Q141N135-S137 PolarHBondContact O-N 2.84Å; N135-S137 WeakPolarHBondContact OD1-CB 3.49Å; N135-S137 PolarHBondContact OD1-N 3.29Å; S137-Q141 WeakPolarHBondContact O-CB 3.29Å; S137-Q141 PolarHBondContact O-N 3.38Å; S137-Q141 VanDerWaalsContact O-N 3.09Å
138S84.5Confident74.9Confident48 Ų4861 Ų6134%0.33634%0.335SS..Hα-helixtrans-60.4-49.4172.3-170.90000109.8N135 L140 Q141 E142N135-S138 WeakPolarHBondContact O-CB 3.34Å; N135-S138 PolarHBondContact O-N 3.48Å; N135-S138 VanDerWaalsContact O-N 3.12Å; N135-S138 PolarHBondContact OD1-N 3.11Å; S138-L140 VanDerWaalsContact C-N 3.34Å; S138-L140 PolarHBondContact O-N 2.9Å; S138-Q141 PolarHBondContact O-N 2.99Å; S138-E142 WeakPolarHBondContact CB-OE1 3.17Å; S138-E142 VanDerWaalsContact O-CG 3.27Å; S138-E142 WeakPolarHBondContact O-CG 3.5Å; S138-E142 PolarHBondContact O-N 3Å; S138-E142 PolarHBondContact OG-OE1 2.78Å
139R86.3Confident77Confident32 Ų3265.2 Ų65.212%0.12136%0.356CS..Hα-helixtrans-64.7-34.4-175.2-174.855.6176170.72.3113.7F51 S55 E59 V134 N135 E142F51-R139 HydrophobicContact CE1-CB 4.01Å; F51-R139 HydrophobicContact CE1-CG 3.82Å; F51-R139 HydrophobicContact CZ-CB 3.91Å; F51-R139 HydrophobicContact CZ-CG 3.84Å; S55-R139 PolarHBondContact O-NH2 2.93Å; S55-R139 PolarHBondContact OG-NE 3.18Å; S55-R139 VanDerWaalsContact OG-NE 3.13Å; E59-R139 IonicContact OE2-CZ 2.66Å; E59-R139 IonicContact OE2-NH1 2.61Å; E59-R139 PolarHBondContact OE2-NH1 3.42Å; E59-R139 IonicContact OE2-NH2 3.29Å; E59-R139 PolarHBondContact OE2-NH2 2.98Å; V134-R139 HydrophobicContact CG1-CB 4.05Å; V134-R139 HydrophobicContact CG1-CG 4.28Å; N135-R139 WeakPolarHBondContact O-CB 3.33Å; N135-R139 PolarHBondContact O-N 2.61Å; R139-E142 VanDerWaalsContact CD-OE2 3.32Å; R139-E142 WeakPolarHBondContact CD-OE2 3.1Å; R139-E142 PolarHBondContact N-OE1 2.87Å; R139-E142 IonicContact NH1-OE2 2.81Å; R139-E142 PolarHBondContact NH1-OE2 3.44Å
140L89.4Confident78.9Confident19 Ų1963.5 Ų63.510%0.09935%0.348CS..Hα-helixtrans-67-49.8170.1-178.368.6000110.6L102 R103 A106 I136 S138 E142 I143 E144L102-L140 HydrophobicContact CD2-CD1 3.95Å; L102-L140 HydrophobicContact CG-CD1 4.01Å; R103-L140 HydrophobicContact CG-CD1 4.2Å; A106-L140 HydrophobicContact CB-CB 4.41Å; A106-L140 HydrophobicContact CB-CD1 4.28Å; A106-L140 HydrophobicContact CB-CD2 3.87Å; A106-L140 HydrophobicContact CB-CG 4.42Å; I136-L140 WeakPolarHBondContact O-CB 3.27Å; I136-L140 PolarHBondContact O-N 2.94Å; S138-L140 VanDerWaalsContact C-N 3.34Å; S138-L140 PolarHBondContact O-N 2.9Å; L140-E142 PolarHBondContact O-N 3.13Å; L140-I143 PolarHBondContact O-N 2.94Å; L140-E144 HydrophobicContact CD1-CG 4.42Å; L140-E144 HydrophobicContact CG-CG 4.41Å; L140-E144 WeakPolarHBondContact O-CG 3.46Å; L140-E144 PolarHBondContact O-N 2.69Å
141Q89.6Confident80.8Confident124 Ų12458.5 Ų58.558%0.57932%0.322SS*.Hα-helixtrans-60.6-42.3-177.6-174.9175.9-4.200112.4S137 S138 I143 E144 T145S137-Q141 WeakPolarHBondContact O-CB 3.29Å; S137-Q141 PolarHBondContact O-N 3.38Å; S137-Q141 VanDerWaalsContact O-N 3.09Å; S138-Q141 PolarHBondContact O-N 2.99Å; Q141-I143 VanDerWaalsContact C-N 3.32Å; Q141-I143 PolarHBondContact O-N 3.45Å; Q141-E144 PolarHBondContact O-N 2.77Å; Q141-T145 PolarHBondContact O-N 3.21Å; Q141-T145 PolarHBondContact O-OG1 3.46Å
142E89Confident82.7Confident75 Ų7554.9 Ų54.935%0.3531%0.311SS..Hα-helixtrans-51.9-48.4173.5-73.9153.7-140.300111.8S138 R139 L140 T145 M146S138-E142 WeakPolarHBondContact CB-OE1 3.17Å; S138-E142 VanDerWaalsContact O-CG 3.27Å; S138-E142 WeakPolarHBondContact O-CG 3.5Å; S138-E142 PolarHBondContact O-N 3Å; S138-E142 PolarHBondContact OG-OE1 2.78Å; R139-E142 VanDerWaalsContact CD-OE2 3.32Å; R139-E142 WeakPolarHBondContact CD-OE2 3.1Å; R139-E142 PolarHBondContact N-OE1 2.87Å; R139-E142 IonicContact NH1-OE2 2.81Å; R139-E142 PolarHBondContact NH1-OE2 3.44Å; L140-E142 PolarHBondContact O-N 3.13Å; E142-T145 WeakPolarHBondContact CA-OG1 3.31Å; E142-T145 PolarHBondContact O-OG1 2.71Å; E142-M146 WeakPolarHBondContact O-CB 3.28Å; E142-M146 PolarHBondContact O-N 3.49Å
143I89.1Confident83.9Confident0 Ų054 Ų540%031%0.307CS..Hα-helixtrans-74-37.5-177.8-67.9170.8000111S55 L58 L62 L99 L102 L140 Q141 M146 W147S55-I143 VanDerWaalsContact CB-CD1 3.48Å; S55-I143 VanDerWaalsContact O-CD1 3.25Å; S55-I143 WeakPolarHBondContact O-CD1 3.16Å; L58-I143 HydrophobicContact CB-CG2 4.31Å; L62-I143 HydrophobicContact CD1-CG2 4.31Å; L99-I143 HydrophobicContact CD1-CG2 4.21Å; L102-I143 HydrophobicContact CD2-CB 4.27Å; L102-I143 HydrophobicContact CD2-CD1 3.88Å; L102-I143 HydrophobicContact CD2-CG2 3.93Å; L140-I143 PolarHBondContact O-N 2.94Å; Q141-I143 VanDerWaalsContact C-N 3.32Å; Q141-I143 PolarHBondContact O-N 3.45Å; I143-M146 PolarHBondContact O-N 2.75Å; I143-W147 WeakPolarHBondContact O-CB 3.07Å; I143-W147 PolarHBondContact O-N 3.42Å
144E90.7Very high84.9Confident53 Ų5350.7 Ų50.725%0.24827%0.272CS..Hα-helixtrans-66-38.4173.7-69.9-166.6118.300112.4L99 R103 L140 Q141 N148L99-E144 HydrophobicContact CD1-CG 4.33Å; R103-E144 IonicContact CZ-OE1 2.8Å; R103-E144 IonicContact NE-OE1 2.8Å; R103-E144 PolarHBondContact NE-OE1 2.88Å; R103-E144 IonicContact NH2-OE1 3.15Å; R103-E144 PolarHBondContact NH2-OE1 2.89Å; L140-E144 HydrophobicContact CD1-CG 4.42Å; L140-E144 HydrophobicContact CG-CG 4.41Å; L140-E144 WeakPolarHBondContact O-CG 3.46Å; L140-E144 PolarHBondContact O-N 2.69Å; Q141-E144 PolarHBondContact O-N 2.77Å; E144-N148 WeakPolarHBondContact O-CB 3.37Å; E144-N148 PolarHBondContact O-N 3.47Å; E144-N148 PolarHBondContact O-ND2 3.48Å
145T89.7Confident85.4Confident68 Ų6852.6 Ų52.642%0.41728%0.277SS..Hα-helixtrans-63.9-50.5171.845.70000111.3Q141 E142 W147 N148 D149Q141-T145 PolarHBondContact O-N 3.21Å; Q141-T145 PolarHBondContact O-OG1 3.46Å; E142-T145 WeakPolarHBondContact CA-OG1 3.31Å; E142-T145 PolarHBondContact O-OG1 2.71Å; T145-W147 VanDerWaalsContact C-N 3.29Å; T145-W147 PolarHBondContact O-N 3.2Å; T145-N148 PolarHBondContact O-N 2.88Å; T145-N148 VanDerWaalsContact O-N 3.13Å; T145-D149 WeakPolarHBondContact O-CB 3.39Å; T145-D149 VanDerWaalsContact O-CG 3.22Å; T145-D149 PolarHBondContact O-N 3.45Å
146M88.9Confident85Confident48 Ų4851.8 Ų51.824%0.23628%0.277CS..Hα-helixtrans-60.7-38.2179.8-169.8-177.9-57.100112.4E59 L62 K63 E142 I143 I150E59-M146 HydrophobicContact CG-CE 3.77Å; E59-M146 HydrophobicContact CG-SD 3.93Å; L62-M146 HydrophobicContact CB-CG 4.27Å; L62-M146 HydrophobicContact CB-SD 3.93Å; L62-M146 HydrophobicContact CD1-CB 4.17Å; L62-M146 HydrophobicContact CD1-CG 4.05Å; L62-M146 HydrophobicContact CD1-SD 4.18Å; K63-M146 HydrophobicContact CG-SD 4.21Å; E142-M146 WeakPolarHBondContact O-CB 3.28Å; E142-M146 PolarHBondContact O-N 3.49Å; I143-M146 PolarHBondContact O-N 2.75Å; M146-I150 HydrophobicContact CG-CD1 3.77Å; M146-I150 WeakPolarHBondContact O-CB 3.4Å; M146-I150 WeakPolarHBondContact O-CD1 3.27Å; M146-I150 VanDerWaalsContact O-CG1 3.27Å; M146-I150 WeakPolarHBondContact O-CG1 3.5Å; M146-I150 PolarHBondContact O-N 3.33Å; M146-I150 VanDerWaalsContact O-N 3.07Å
147W91.2Very high84.3Confident16 Ų1654.2 Ų54.26%0.06129%0.288CS..Hα-helixtrans-63.5-47.9174.5-176-77000111.8L58 W61 L62 I92 R95 D96 L99 I143 T145 T151L58-W147 HydrophobicContact CD2-CZ3 4.14Å; W61-W147 HydrophobicContact CZ3-CH2 4.43Å; W61-W147 AromaticContact CZ3-CZ3 3.99Å; W61-W147 HydrophobicContact CZ3-CZ3 3.99Å; L62-W147 HydrophobicContact CD1-CB 4.18Å; L62-W147 HydrophobicContact CD1-CE3 4.22Å; L62-W147 HydrophobicContact CD2-CB 4.45Å; L62-W147 HydrophobicContact CD2-CD2 4.35Å; L62-W147 HydrophobicContact CD2-CE3 3.84Å; L62-W147 HydrophobicContact CD2-CZ3 4.48Å; L62-W147 HydrophobicContact CG-CE3 4.31Å; I92-W147 HydrophobicContact CG2-CH2 4.24Å; I92-W147 HydrophobicContact CG2-CZ2 3.52Å; I92-W147 WeakPolarHBondContact O-CH2 3.34Å; I92-W147 VanDerWaalsContact O-CZ2 3.31Å; I92-W147 WeakPolarHBondContact O-CZ2 3.33Å; R95-W147 HydrophobicContact CB-CH2 3.8Å; R95-W147 HydrophobicContact CB-CZ3 4.26Å; D96-W147 HydrophobicContact CB-CZ2 4.32Å; L99-W147 HydrophobicContact CB-CE3 4.45Å; L99-W147 HydrophobicContact CB-CH2 4.43Å; L99-W147 HydrophobicContact CB-CZ3 4.34Å; L99-W147 HydrophobicContact CD1-CE3 4.49Å; L99-W147 HydrophobicContact CD2-CD2 3.7Å; L99-W147 HydrophobicContact CD2-CE3 4.22Å; L99-W147 HydrophobicContact CD2-CG 3.83Å; L99-W147 HydrophobicContact CD2-CZ2 4.3Å; I143-W147 WeakPolarHBondContact O-CB 3.07Å; I143-W147 PolarHBondContact O-N 3.42Å; T145-W147 VanDerWaalsContact C-N 3.29Å; T145-W147 PolarHBondContact O-N 3.2Å; W147-T151 VanDerWaalsContact O-CB 3.28Å; W147-T151 WeakPolarHBondContact O-CB 3.38Å; W147-T151 PolarHBondContact O-N 3.01Å; W147-T151 PolarHBondContact O-OG1 3.5Å
148N89.7Confident83.6Confident83 Ų8351.8 Ų51.844%0.44427%0.272SS..Hα-helixtrans-65.3-44.3178.9-72.3-33.3000111.8E144 T145 I150 T151 N152E144-N148 WeakPolarHBondContact O-CB 3.37Å; E144-N148 PolarHBondContact O-N 3.47Å; E144-N148 PolarHBondContact O-ND2 3.48Å; T145-N148 PolarHBondContact O-N 2.88Å; T145-N148 VanDerWaalsContact O-N 3.13Å; N148-I150 PolarHBondContact O-N 3.05Å; N148-T151 PolarHBondContact O-N 3.38Å; N148-N152 WeakPolarHBondContact O-CB 3.17Å; N148-N152 PolarHBondContact O-N 3.29Å; N148-N152 PolarHBondContact O-ND2 3.19Å; N148-N152 VanDerWaalsContact O-ND2 3.08Å
149D87.7Confident82.9Confident104 Ų10450 Ų5056%0.55626%0.258SS*.Hα-helixtrans-62.6-44.6179.9-67-24.5000111.6T145 N152 L153T145-D149 WeakPolarHBondContact O-CB 3.39Å; T145-D149 VanDerWaalsContact O-CG 3.22Å; T145-D149 PolarHBondContact O-N 3.45Å; D149-N152 PolarHBondContact O-N 2.97Å; D149-L153 WeakPolarHBondContact O-CB 3.49Å; D149-L153 PolarHBondContact O-N 3.47Å
150I85.1Confident82Confident10 Ų1051.4 Ų51.45%0.05127%0.265CS..Hα-helixtrans-69.2-36.9176.3-67.6165.2000111.1L62 V65 C66 I92 M146 N148 L153 V154L62-I150 HydrophobicContact CB-CD1 3.76Å; L62-I150 HydrophobicContact CD2-CD1 4Å; L62-I150 HydrophobicContact CG-CD1 4.4Å; L62-I150 WeakPolarHBondContact O-CD1 3.13Å; V65-I150 HydrophobicContact CG1-CG2 4.01Å; C66-I150 HydrophobicContact CB-CD1 3.78Å; C66-I150 HydrophobicContact CB-CG1 3.99Å; I92-I150 HydrophobicContact CD1-CG2 4.22Å; M146-I150 HydrophobicContact CG-CD1 3.77Å; M146-I150 WeakPolarHBondContact O-CB 3.4Å; M146-I150 WeakPolarHBondContact O-CD1 3.27Å; M146-I150 VanDerWaalsContact O-CG1 3.27Å; M146-I150 WeakPolarHBondContact O-CG1 3.5Å; M146-I150 PolarHBondContact O-N 3.33Å; M146-I150 VanDerWaalsContact O-N 3.07Å; N148-I150 PolarHBondContact O-N 3.05Å; I150-L153 PolarHBondContact O-N 3.15Å; I150-V154 HydrophobicContact CG2-CG2 4.18Å; I150-V154 VanDerWaalsContact O-CB 3.27Å; I150-V154 WeakPolarHBondContact O-CB 3.24Å; I150-V154 VanDerWaalsContact O-CG2 3.3Å; I150-V154 WeakPolarHBondContact O-CG2 3.48Å; I150-V154 PolarHBondContact O-N 2.96Å
151T85.5Confident81.1Confident26 Ų2655.6 Ų55.616%0.1628%0.284CS..Hα-helixtrans-62.8-44.6174.1-58.10000111L89 W147 N148 L153 V154 Q155L89-T151 HydrophobicContact CD1-CG2 4.24Å; W147-T151 VanDerWaalsContact O-CB 3.28Å; W147-T151 WeakPolarHBondContact O-CB 3.38Å; W147-T151 PolarHBondContact O-N 3.01Å; W147-T151 PolarHBondContact O-OG1 3.5Å; N148-T151 PolarHBondContact O-N 3.38Å; T151-L153 VanDerWaalsContact C-N 3.33Å; T151-L153 PolarHBondContact O-N 2.91Å; T151-V154 PolarHBondContact O-N 2.95Å; T151-Q155 WeakPolarHBondContact O-CB 3.4Å; T151-Q155 PolarHBondContact O-N 3.17Å
152N83Confident80.2Confident99 Ų9952.6 Ų52.653%0.52927%0.272SS..Hα-helixtrans-65.2-34176.5-70.5-34000112.6N148 D149 P156N148-N152 WeakPolarHBondContact O-CB 3.17Å; N148-N152 PolarHBondContact O-N 3.29Å; N148-N152 PolarHBondContact O-ND2 3.19Å; N148-N152 VanDerWaalsContact O-ND2 3.08Å; D149-N152 PolarHBondContact O-N 2.97Å; N152-P156 WeakPolarHBondContact O-CD 3.37Å
153L80.8Confident79.5Confident59 Ų5949.1 Ų49.131%0.30926%0.256SS..Hα-helixtrans-70.1-43174.3179.369.7000112.2F70 D149 I150 T151 M157F70-L153 HydrophobicContact CD2-CD2 4.32Å; F70-L153 HydrophobicContact CE2-CD2 3.54Å; F70-L153 HydrophobicContact CZ-CD1 4.11Å; F70-L153 HydrophobicContact CZ-CD2 3.76Å; D149-L153 WeakPolarHBondContact O-CB 3.49Å; D149-L153 PolarHBondContact O-N 3.47Å; I150-L153 PolarHBondContact O-N 3.15Å; T151-L153 VanDerWaalsContact C-N 3.33Å; T151-L153 PolarHBondContact O-N 2.91Å; L153-M157 HydrophobicContact CD1-CE 4.36Å; L153-M157 HydrophobicContact CG-CE 4.11Å; L153-M157 VanDerWaalsContact O-CE 3.31Å; L153-M157 WeakPolarHBondContact O-CE 3.46Å
154V76.1Confident78.8Confident2 Ų251.3 Ų51.31%0.01227%0.271CS..Hα-helixtrans-79-34.9-176163.40000112.4A69 L89 I92 I150 T151 M157 S158A69-V154 HydrophobicContact CB-CG2 4.19Å; L89-V154 HydrophobicContact CB-CG1 4Å; I92-V154 HydrophobicContact CD1-CB 4.29Å; I92-V154 HydrophobicContact CD1-CG1 4.22Å; I92-V154 HydrophobicContact CD1-CG2 4.35Å; I150-V154 HydrophobicContact CG2-CG2 4.18Å; I150-V154 VanDerWaalsContact O-CB 3.27Å; I150-V154 WeakPolarHBondContact O-CB 3.24Å; I150-V154 VanDerWaalsContact O-CG2 3.3Å; I150-V154 WeakPolarHBondContact O-CG2 3.48Å; I150-V154 PolarHBondContact O-N 2.96Å; T151-V154 PolarHBondContact O-N 2.95Å; V154-M157 WeakPolarHBondContact O-CB 3.28Å; V154-M157 PolarHBondContact O-N 3.29Å; V154-S158 PolarHBondContact O-N 3.48Å
155Q74.5Confident78.3Confident94 Ų9455.1 Ų55.144%0.43928%0.283SS..G310 helixtrans-54.7-45.3-174.9-179.3-179.213.700113T151 M157 S158 H161T151-Q155 WeakPolarHBondContact O-CB 3.4Å; T151-Q155 PolarHBondContact O-N 3.17Å; Q155-M157 PolarHBondContact O-N 3.03Å; Q155-M157 VanDerWaalsContact O-N 3.16Å; Q155-S158 WeakPolarHBondContact O-CB 3.44Å; Q155-S158 PolarHBondContact O-N 3.32Å; Q155-S158 PolarHBondContact O-OG 3.12Å; Q155-H161 WeakPolarHBondContact O-CB 3.3Å
156P69.4Low77.9Confident68 Ų6851.9 Ų51.944%0.44226%0.264SS..G310 helixtrans-59.7-18.7173.8-26.936.4000116.3N152N152-P156 WeakPolarHBondContact O-CD 3.37Å
157M66.8Low77.7Confident51 Ų5150 Ų5025%0.25125%0.254SS..G310 helixtrans-90.7-15.9177-45.6-165.4-145.400112.4A69 L153 V154 Q155A69-M157 HydrophobicContact CB-CE 4.36Å; L153-M157 HydrophobicContact CD1-CE 4.36Å; L153-M157 HydrophobicContact CG-CE 4.11Å; L153-M157 VanDerWaalsContact O-CE 3.31Å; L153-M157 WeakPolarHBondContact O-CE 3.46Å; V154-M157 WeakPolarHBondContact O-CB 3.28Å; V154-M157 PolarHBondContact O-N 3.29Å; Q155-M157 PolarHBondContact O-N 3.03Å; Q155-M157 VanDerWaalsContact O-N 3.16Å
158S69Low77.4Confident9 Ų956.1 Ų56.16%0.06328%0.277CS..SBendtrans-72.4151.3-173.873.60000113.9L89 V154 Q155 F160 H161L89-S158 WeakPolarHBondContact CD2-OG 3.42Å; V154-S158 PolarHBondContact O-N 3.48Å; Q155-S158 WeakPolarHBondContact O-CB 3.44Å; Q155-S158 PolarHBondContact O-N 3.32Å; Q155-S158 PolarHBondContact O-OG 3.12Å; S158-F160 PolarHBondContact O-N 3Å; S158-H161 PolarHBondContact O-N 3.49Å
159L68.4Low77.2Confident11 Ų1153.4 Ų53.46%0.05826%0.263CS..THydrogen-bonded Turntrans-44.5-32.6171.5177.557.8000114.1T166 L232 Q235 L236L159-T166 HydrophobicContact CD1-CG2 3.3Å; L159-T166 PolarHBondContact O-OG1 2.96Å; L159-L232 HydrophobicContact CD1-CD2 3.98Å; L159-L232 HydrophobicContact CD2-CD2 3.9Å; L159-Q235 HydrophobicContact CD2-CB 3.8Å; L159-L236 HydrophobicContact CD1-CD1 4.03Å; L159-L236 HydrophobicContact CD1-CD2 3.74Å; L159-L236 HydrophobicContact CD1-CG 3.82Å; L159-L236 HydrophobicContact CG-CD2 4Å; L159-L236 HydrophobicContact CG-CG 4.32Å
160F67.8Low77.2Confident61 Ų6148.4 Ų48.427%0.26824%0.236SC..THydrogen-bonded Turntrans-97.2-5.3-168.8-53.8-59.9000114.7S158 F239S158-F160 PolarHBondContact O-N 3Å; F160-F239 HydrophobicContact CB-CD2 4.37Å; F160-F239 HydrophobicContact CB-CE1 4.5Å; F160-F239 HydrophobicContact CB-CE2 3.81Å; F160-F239 HydrophobicContact CB-CZ 3.88Å; F160-F239 HydrophobicContact CD1-CB 3.99Å; F160-F239 HydrophobicContact CD1-CD1 4.01Å; F160-F239 AromaticContact CD1-CD2 3.31Å; F160-F239 HydrophobicContact CD1-CD2 3.31Å; F160-F239 HydrophobicContact CD1-CE1 4.3Å; F160-F239 AromaticContact CD1-CE2 3.65Å; F160-F239 HydrophobicContact CD1-CE2 3.65Å; F160-F239 AromaticContact CD1-CG 3.5Å; F160-F239 HydrophobicContact CD1-CG 3.5Å; F160-F239 HydrophobicContact CD1-CZ 4.13Å; F160-F239 HydrophobicContact CE1-CB 3.76Å; F160-F239 AromaticContact CE1-CD2 3.68Å; F160-F239 HydrophobicContact CE1-CD2 3.68Å; F160-F239 HydrophobicContact CE1-CE2 4.42Å; F160-F239 AromaticContact CE1-CG 3.79Å; F160-F239 HydrophobicContact CE1-CG 3.79Å; F160-F239 AromaticContact CG-CD2 3.9Å; F160-F239 HydrophobicContact CG-CD2 3.9Å; F160-F239 AromaticContact CG-CE2 3.8Å; F160-F239 HydrophobicContact CG-CE2 3.8Å; F160-F239 HydrophobicContact CG-CG 4.46Å; F160-F239 HydrophobicContact CG-CZ 4.29Å
161H70.4Confident77.5Confident106 Ų10650.3 Ų50.349%0.49125%0.245SC..THydrogen-bonded Turntrans-74.4-42.7-179.4-178.8-81.6000112.9Q155 S158Q155-H161 WeakPolarHBondContact O-CB 3.3Å; S158-H161 PolarHBondContact O-N 3.49Å
162D72.2Confident77.6Confident62 Ų6252.6 Ų52.633%0.33226%0.256SS..  trans-136.985.7171.3-176.9-5000110S164 R165 T166D162-S164 PolarHBondContact O-N 2.81Å; D162-S164 WeakPolarHBondContact OD1-CA 3.38Å; D162-S164 WeakPolarHBondContact OD1-CB 3.27Å; D162-S164 PolarHBondContact OD1-N 3.25Å; D162-R165 HydrophobicContact CB-CB 3.87Å; D162-R165 VanDerWaalsContact CG-CB 3.43Å; D162-R165 VanDerWaalsContact CG-N 3.34Å; D162-R165 WeakPolarHBondContact O-CB 3.37Å; D162-R165 PolarHBondContact O-N 3.22Å; D162-R165 PolarHBondContact OD1-N 2.98Å; D162-R165 VanDerWaalsContact OD2-CB 3.3Å; D162-R165 WeakPolarHBondContact OD2-CB 3.39Å; D162-T166 PolarHBondContact O-N 3.31Å; D162-T166 PolarHBondContact O-OG1 3.48Å
163P74.2Confident78Confident1 Ų148 Ų481%0.00623%0.231CC..Hα-helixtrans-56.2-28.6175.1-27.737.2000113.6T166 I167 L236 F239 Y248 F253P163-T166 PolarHBondContact O-N 3Å; P163-I167 WeakPolarHBondContact O-CG1 3.27Å; P163-I167 PolarHBondContact O-N 2.78Å; P163-L236 HydrophobicContact CB-CD2 4.07Å; P163-F239 HydrophobicContact CG-CE1 4.15Å; P163-Y248 HydrophobicContact CG-CE1 4.43Å; P163-F253 HydrophobicContact CB-CE2 3.79Å; P163-F253 HydrophobicContact CB-CZ 3.89Å
164S73.8Confident78.5Confident47 Ų4745.4 Ų45.433%0.32922%0.218SC..Hα-helixtrans-77.7-23.2178.2-59.40000112.7D162 R168D162-S164 PolarHBondContact O-N 2.81Å; D162-S164 WeakPolarHBondContact OD1-CA 3.38Å; D162-S164 WeakPolarHBondContact OD1-CB 3.27Å; D162-S164 PolarHBondContact OD1-N 3.25Å; S164-R168 PolarHBondContact O-NE 2.93Å; S164-R168 PolarHBondContact O-NH2 3.46Å
165R79.3Confident79.2Confident132 Ų13250.2 Ų50.250%0.49824%0.24SC..Hα-helixtrans-73.8-51.2163.3173176.9170.3-169.5-3.7110.7D162 I167 R168 D169D162-R165 HydrophobicContact CB-CB 3.87Å; D162-R165 VanDerWaalsContact CG-CB 3.43Å; D162-R165 VanDerWaalsContact CG-N 3.34Å; D162-R165 WeakPolarHBondContact O-CB 3.37Å; D162-R165 PolarHBondContact O-N 3.22Å; D162-R165 PolarHBondContact OD1-N 2.98Å; D162-R165 VanDerWaalsContact OD2-CB 3.3Å; D162-R165 WeakPolarHBondContact OD2-CB 3.39Å; R165-I167 VanDerWaalsContact C-N 3.29Å; R165-I167 PolarHBondContact O-N 3.32Å; R165-R168 WeakPolarHBondContact O-CA 3.18Å; R165-R168 WeakPolarHBondContact O-CB 3.41Å; R165-R168 PolarHBondContact O-N 3.31Å; R165-D169 VanDerWaalsContact CG-OD2 3.29Å; R165-D169 WeakPolarHBondContact CG-OD2 3.28Å; R165-D169 IonicContact CZ-OD2 3.78Å; R165-D169 IonicContact NE-OD2 3.37Å; R165-D169 PolarHBondContact NE-OD2 2.99Å; R165-D169 IonicContact NH2-OD2 2.75Å; R165-D169 PolarHBondContact O-N 3.42Å
166T82Confident79.9Confident1 Ų149 Ų491%0.00624%0.235CC..Hα-helixtrans-63.8-33.8-174-42.20000112.8Y83 L159 D162 P163 R168 D169 V170 L236Y83-T166 HydrophobicContact CD1-CG2 4.28Å; Y83-T166 HydrophobicContact CD2-CG2 3.61Å; Y83-T166 HydrophobicContact CE1-CG2 4.17Å; Y83-T166 HydrophobicContact CE2-CG2 3.49Å; Y83-T166 VanDerWaalsContact CE2-CG2 3.49Å; Y83-T166 HydrophobicContact CG-CG2 4.02Å; Y83-T166 PolarHBondContact OH-OG1 3.31Å; L159-T166 HydrophobicContact CD1-CG2 3.3Å; L159-T166 PolarHBondContact O-OG1 2.96Å; D162-T166 PolarHBondContact O-N 3.31Å; D162-T166 PolarHBondContact O-OG1 3.48Å; P163-T166 PolarHBondContact O-N 3Å; T166-R168 VanDerWaalsContact C-N 3.3Å; T166-R168 PolarHBondContact O-N 2.83Å; T166-D169 PolarHBondContact O-N 2.85Å; T166-V170 WeakPolarHBondContact O-CB 3.37Å; T166-V170 WeakPolarHBondContact O-CG2 3.4Å; T166-V170 PolarHBondContact O-N 2.86Å; T166-L236 HydrophobicContact CG2-CD1 4.35Å
167I84.2Confident80.9Confident7 Ų745.8 Ų45.84%0.03621%0.214CC..Hα-helixtrans-60.5-37170.2-75.4-179000112.3P163 R165 E171 L236 F253 I257 L260P163-I167 WeakPolarHBondContact O-CG1 3.27Å; P163-I167 PolarHBondContact O-N 2.78Å; R165-I167 VanDerWaalsContact C-N 3.29Å; R165-I167 PolarHBondContact O-N 3.32Å; I167-E171 WeakPolarHBondContact O-CB 3.27Å; I167-E171 PolarHBondContact O-N 3.46Å; I167-L236 HydrophobicContact CG1-CD1 4.01Å; I167-F253 HydrophobicContact CD1-CD2 3.74Å; I167-F253 HydrophobicContact CD1-CE1 4.36Å; I167-F253 HydrophobicContact CD1-CE2 3.33Å; I167-F253 HydrophobicContact CD1-CG 4.4Å; I167-F253 HydrophobicContact CD1-CZ 3.69Å; I167-F253 HydrophobicContact CG1-CE2 4.42Å; I167-I257 HydrophobicContact CD1-CD1 4.16Å; I167-I257 HydrophobicContact CD1-CG1 3.77Å; I167-L260 HydrophobicContact CG2-CD1 3.88Å
168R85.4Confident82.1Confident145 Ų14547.6 Ų47.655%0.54722%0.221SC..Hα-helixtrans-74.3-38.4176.7-76.9177.7-72.8178.30.9112.3S164 R165 T166 V170 E171 L172S164-R168 PolarHBondContact O-NE 2.93Å; S164-R168 PolarHBondContact O-NH2 3.46Å; R165-R168 WeakPolarHBondContact O-CA 3.18Å; R165-R168 WeakPolarHBondContact O-CB 3.41Å; R165-R168 PolarHBondContact O-N 3.31Å; T166-R168 VanDerWaalsContact C-N 3.3Å; T166-R168 PolarHBondContact O-N 2.83Å; R168-V170 VanDerWaalsContact C-N 3.31Å; R168-E171 PolarHBondContact O-N 3.41Å; R168-L172 WeakPolarHBondContact O-CG 3.41Å; R168-L172 PolarHBondContact O-N 3.14Å
169D86.2Confident83.1Confident26 Ų2650 Ų5014%0.13924%0.242CC..Hα-helixtrans-64.9-37174.6-73.6-30.9000110.8R79 Y83 R165 T166 D173R79-D169 HydrophobicContact CB-CB 4.07Å; R79-D169 HydrophobicContact CG-CB 4.5Å; Y83-D169 HydrophobicContact CE2-CB 4.05Å; Y83-D169 PolarHBondContact OH-OD2 2.88Å; R165-D169 VanDerWaalsContact CG-OD2 3.29Å; R165-D169 WeakPolarHBondContact CG-OD2 3.28Å; R165-D169 IonicContact CZ-OD2 3.78Å; R165-D169 IonicContact NE-OD2 3.37Å; R165-D169 PolarHBondContact NE-OD2 2.99Å; R165-D169 IonicContact NH2-OD2 2.75Å; R165-D169 PolarHBondContact O-N 3.42Å; T166-D169 PolarHBondContact O-N 2.85Å; D169-D173 PolarHBondContact O-N 3.18Å; D169-D173 VanDerWaalsContact O-N 3.1Å
170V88.2Confident84.2Confident0 Ų053.1 Ų53.10%026%0.255CS..Hα-helixtrans-67.4-43169.1167.70000112.5T166 R168 L172 D173 V174 A229 L232 L233T166-V170 WeakPolarHBondContact O-CB 3.37Å; T166-V170 WeakPolarHBondContact O-CG2 3.4Å; T166-V170 PolarHBondContact O-N 2.86Å; R168-V170 VanDerWaalsContact C-N 3.31Å; V170-L172 VanDerWaalsContact C-N 3.29Å; V170-L172 PolarHBondContact O-N 3.26Å; V170-D173 PolarHBondContact O-N 2.8Å; V170-V174 HydrophobicContact CG1-CG2 4.31Å; V170-V174 WeakPolarHBondContact O-CB 3.36Å; V170-V174 VanDerWaalsContact O-CG2 3.3Å; V170-V174 WeakPolarHBondContact O-CG2 3.36Å; V170-V174 PolarHBondContact O-N 3.47Å; V170-A229 HydrophobicContact CG1-CB 4.06Å; V170-L232 HydrophobicContact CG2-CB 4.29Å; V170-L232 HydrophobicContact CG2-CD1 4.13Å; V170-L233 HydrophobicContact CG1-CD1 4.28Å; V170-L233 HydrophobicContact CG1-CD2 4.03Å; V170-L233 HydrophobicContact CG1-CG 4.05Å
171E89.3Confident85.3Confident50 Ų5050.2 Ų50.223%0.23424%0.242CC..Hα-helixtrans-61.3-37.8177.1179.3165-143.500111.7I167 R168 Q175 L260I167-E171 WeakPolarHBondContact O-CB 3.27Å; I167-E171 PolarHBondContact O-N 3.46Å; R168-E171 PolarHBondContact O-N 3.41Å; E171-Q175 WeakPolarHBondContact O-CB 3.43Å; E171-Q175 VanDerWaalsContact O-CG 3.26Å; E171-Q175 WeakPolarHBondContact O-CG 3.43Å; E171-Q175 PolarHBondContact O-N 3.38Å; E171-L260 HydrophobicContact CB-CD1 4.34Å; E171-L260 HydrophobicContact CB-CD2 3.97Å; E171-L260 HydrophobicContact CG-CD2 4.08Å
172L89.2Confident86.2Confident73 Ų7346.8 Ų46.838%0.38223%0.23SC..Hα-helixtrans-65.2-47.7172.8-71.8171.5000112.3R168 V170 V174 Q175 E176R168-L172 WeakPolarHBondContact O-CG 3.41Å; R168-L172 PolarHBondContact O-N 3.14Å; V170-L172 VanDerWaalsContact C-N 3.29Å; V170-L172 PolarHBondContact O-N 3.26Å; L172-V174 VanDerWaalsContact C-N 3.28Å; L172-V174 PolarHBondContact O-N 3.39Å; L172-Q175 PolarHBondContact O-N 3.02Å; L172-E176 WeakPolarHBondContact O-CB 3.37Å; L172-E176 WeakPolarHBondContact O-CG 3.24Å; L172-E176 PolarHBondContact O-N 2.66Å
173D91.3Very high87Confident2 Ų246.2 Ų46.21%0.01123%0.231CC..Hα-helixtrans-59.7-39.1176.8-74.5-9000112R79 S80 D169 V170 T177 T225R79-D173 WeakPolarHBondContact CB-OD2 3.43Å; R79-D173 WeakPolarHBondContact CD-OD1 3.19Å; R79-D173 WeakPolarHBondContact CG-OD1 3.47Å; R79-D173 IonicContact CZ-OD1 3.59Å; R79-D173 PolarHBondContact N-OD1 3.12Å; R79-D173 PolarHBondContact N-OD2 3.4Å; R79-D173 VanDerWaalsContact N-OD2 3.08Å; R79-D173 IonicContact NH1-OD1 2.66Å; R79-D173 PolarHBondContact NH1-OD1 2.65Å; S80-D173 VanDerWaalsContact CB-OD2 3.23Å; S80-D173 WeakPolarHBondContact CB-OD2 3.37Å; S80-D173 PolarHBondContact N-OD2 3.06Å; S80-D173 PolarHBondContact OG-OD2 3.38Å; D169-D173 PolarHBondContact O-N 3.18Å; D169-D173 VanDerWaalsContact O-N 3.1Å; V170-D173 PolarHBondContact O-N 2.8Å; D173-T177 VanDerWaalsContact O-CB 3.25Å; D173-T177 WeakPolarHBondContact O-CB 3.28Å; D173-T177 PolarHBondContact O-N 3.09Å; D173-T177 PolarHBondContact O-OG1 3.46Å; D173-T225 HydrophobicContact CB-CG2 4.07Å
174V91.2Very high87.7Confident5 Ų546.2 Ų46.23%0.0323%0.231CC..Hα-helixtrans-66.3-44.3176.4168.90000111.5V170 L172 T177 E178 A229 N263 I264 L267V170-V174 HydrophobicContact CG1-CG2 4.31Å; V170-V174 WeakPolarHBondContact O-CB 3.36Å; V170-V174 VanDerWaalsContact O-CG2 3.3Å; V170-V174 WeakPolarHBondContact O-CG2 3.36Å; V170-V174 PolarHBondContact O-N 3.47Å; L172-V174 VanDerWaalsContact C-N 3.28Å; L172-V174 PolarHBondContact O-N 3.39Å; V174-T177 PolarHBondContact O-N 3.13Å; V174-E178 PolarHBondContact O-N 3.28Å; V174-A229 HydrophobicContact CG2-CB 4.31Å; V174-N263 HydrophobicContact CG1-CB 4.44Å; V174-I264 HydrophobicContact CG2-CD1 3.85Å; V174-I264 HydrophobicContact CG2-CG1 3.65Å; V174-L267 HydrophobicContact CG1-CD1 3.84Å
175Q90.7Very high88.5Confident103 Ų10344.7 Ų44.748%0.48122%0.221SC..Hα-helixtrans-65.8-44.2176.8-73.4174.821.900112.3E171 L172 T177 E178 A179E171-Q175 WeakPolarHBondContact O-CB 3.43Å; E171-Q175 VanDerWaalsContact O-CG 3.26Å; E171-Q175 WeakPolarHBondContact O-CG 3.43Å; E171-Q175 PolarHBondContact O-N 3.38Å; L172-Q175 PolarHBondContact O-N 3.02Å; Q175-T177 VanDerWaalsContact C-N 3.27Å; Q175-T177 PolarHBondContact O-N 2.94Å; Q175-E178 PolarHBondContact O-N 2.94Å; Q175-A179 PolarHBondContact O-N 3.3Å
176E89.9Confident88.9Confident69 Ų6947 Ų4732%0.32223%0.229SC..Hα-helixtrans-60.3-38.9173.5-78.1-174.2-143.300111.8R79 L172 A179 K180R79-E176 IonicContact CZ-OE1 2.63Å; R79-E176 VanDerWaalsContact CZ-OE1 3.25Å; R79-E176 IonicContact NH1-OE1 3.89Å; R79-E176 PolarHBondContact NH1-OE1 3.49Å; R79-E176 IonicContact NH2-OE1 2.66Å; R79-E176 PolarHBondContact NH2-OE1 3.45Å; L172-E176 WeakPolarHBondContact O-CB 3.37Å; L172-E176 WeakPolarHBondContact O-CG 3.24Å; L172-E176 PolarHBondContact O-N 2.66Å; E176-A179 PolarHBondContact O-N 3.27Å; E176-K180 WeakPolarHBondContact O-CB 3.27Å; E176-K180 WeakPolarHBondContact O-CD 3.44Å; E176-K180 WeakPolarHBondContact O-CG 3.2Å; E176-K180 PolarHBondContact O-N 2.94Å; E176-K180 IonicContact OE2-NZ 3.71Å; E176-K180 PolarHBondContact OE2-NZ 2.94Å
177T90.4Very high89.2Confident1 Ų153 Ų531%0.00625%0.251CS..Hα-helixtrans-75.5-33.7-179-54.20000112.1D173 V174 Q175 A179 K180 L181 L226D173-T177 VanDerWaalsContact O-CB 3.25Å; D173-T177 WeakPolarHBondContact O-CB 3.28Å; D173-T177 PolarHBondContact O-N 3.09Å; D173-T177 PolarHBondContact O-OG1 3.46Å; V174-T177 PolarHBondContact O-N 3.13Å; Q175-T177 VanDerWaalsContact C-N 3.27Å; Q175-T177 PolarHBondContact O-N 2.94Å; T177-A179 VanDerWaalsContact C-N 3.34Å; T177-K180 PolarHBondContact O-N 3.48Å; T177-L181 HydrophobicContact CG2-CD1 4.24Å; T177-L181 HydrophobicContact CG2-CG 4.37Å; T177-L181 WeakPolarHBondContact O-CB 3.3Å; T177-L181 VanDerWaalsContact O-CG 3.3Å; T177-L181 WeakPolarHBondContact O-CG 3.01Å; T177-L181 PolarHBondContact O-N 3.05Å; T177-L226 HydrophobicContact CG2-CD1 4.11Å; T177-L226 HydrophobicContact CG2-CD2 4.17Å; T177-L226 HydrophobicContact CG2-CG 3.81Å
178E91.6Very high89.3Confident88 Ų8852.6 Ų52.641%0.41125%0.25SC..Hα-helixtrans-59.7-44.1167.7179.1162-151.300111.7V174 Q175 L181 C182 L267V174-E178 PolarHBondContact O-N 3.28Å; Q175-E178 PolarHBondContact O-N 2.94Å; E178-L181 PolarHBondContact O-N 3.42Å; E178-C182 WeakPolarHBondContact O-CB 3.5Å; E178-C182 PolarHBondContact O-N 3.12Å; E178-C182 PolarHBondContact O-SG 3.04Å; E178-L267 HydrophobicContact CB-CD1 3.96Å; E178-L267 HydrophobicContact CB-CD2 3.78Å; E178-L267 HydrophobicContact CG-CD2 3.82Å
179A90.1Very high89.3Confident61 Ų6149.6 Ų49.650%0.50424%0.241SC..Hα-helixtrans-63.5-44.7175.400000112.4Q175 E176 T177 C182 S183Q175-A179 PolarHBondContact O-N 3.3Å; E176-A179 PolarHBondContact O-N 3.27Å; T177-A179 VanDerWaalsContact C-N 3.34Å; A179-C182 WeakPolarHBondContact O-CB 3.27Å; A179-C182 PolarHBondContact O-N 3.36Å; A179-S183 PolarHBondContact O-N 3.49Å
180K90.5Very high89.2Confident75 Ų7553.2 Ų53.233%0.32626%0.26SS..Hα-helixtrans-59.3-49.3175.1-70.5159.6-165.9164.90110.9E176 T177 C182 S183 I184E176-K180 WeakPolarHBondContact O-CB 3.27Å; E176-K180 WeakPolarHBondContact O-CD 3.44Å; E176-K180 WeakPolarHBondContact O-CG 3.2Å; E176-K180 PolarHBondContact O-N 2.94Å; E176-K180 IonicContact OE2-NZ 3.71Å; E176-K180 PolarHBondContact OE2-NZ 2.94Å; T177-K180 PolarHBondContact O-N 3.48Å; K180-C182 VanDerWaalsContact C-N 3.3Å; K180-C182 PolarHBondContact O-N 3.05Å; K180-S183 WeakPolarHBondContact O-CB 3.43Å; K180-S183 PolarHBondContact O-N 2.64Å; K180-S183 VanDerWaalsContact O-N 3.08Å; K180-I184 WeakPolarHBondContact O-CG1 3.31Å; K180-I184 PolarHBondContact O-N 2.79Å
181L90.8Very high89Confident0 Ų053.8 Ų53.80%026%0.263CS..Hα-helixtrans-62.8-32176-71.2172.7000113.1T177 E178 I184 S185 L219 L226 L267 L274T177-L181 HydrophobicContact CG2-CD1 4.24Å; T177-L181 HydrophobicContact CG2-CG 4.37Å; T177-L181 WeakPolarHBondContact O-CB 3.3Å; T177-L181 VanDerWaalsContact O-CG 3.3Å; T177-L181 WeakPolarHBondContact O-CG 3.01Å; T177-L181 PolarHBondContact O-N 3.05Å; E178-L181 PolarHBondContact O-N 3.42Å; L181-I184 HydrophobicContact CD2-CD1 4.34Å; L181-S185 WeakPolarHBondContact O-CB 3.32Å; L181-S185 PolarHBondContact O-N 2.92Å; L181-L219 HydrophobicContact CD2-CD1 3.51Å; L181-L226 HydrophobicContact CD1-CD1 4.04Å; L181-L267 HydrophobicContact CD1-CB 4.07Å; L181-L267 HydrophobicContact CD1-CD2 4.25Å; L181-L274 HydrophobicContact CD2-CD1 4.16Å
182C89.7Confident88.7Confident35 Ų3553.5 Ų53.524%0.23626%0.262CS..Hα-helixtrans-68.3-38.5171.5-70.40000112.7E178 A179 K180 R186 R270E178-C182 WeakPolarHBondContact O-CB 3.5Å; E178-C182 PolarHBondContact O-N 3.12Å; E178-C182 PolarHBondContact O-SG 3.04Å; A179-C182 WeakPolarHBondContact O-CB 3.27Å; A179-C182 PolarHBondContact O-N 3.36Å; K180-C182 VanDerWaalsContact C-N 3.3Å; K180-C182 PolarHBondContact O-N 3.05Å; C182-R186 WeakPolarHBondContact O-CG 3.5Å; C182-R186 PolarHBondContact O-N 3.48Å; C182-R270 PolarHBondContact SG-NH1 2.99Å; C182-R270 PolarHBondContact SG-NH2 3.4Å; C182-R270 VanDerWaalsContact SG-NH2 3.37Å
183S89.8Confident88.3Confident50 Ų5052.8 Ų52.835%0.3526%0.26SS..Hα-helixtrans-66.5-50.1175.3-174.10000111.4A179 K180 S185 R186 R187A179-S183 PolarHBondContact O-N 3.49Å; K180-S183 WeakPolarHBondContact O-CB 3.43Å; K180-S183 PolarHBondContact O-N 2.64Å; K180-S183 VanDerWaalsContact O-N 3.08Å; S183-S185 VanDerWaalsContact C-N 3.3Å; S183-S185 PolarHBondContact O-N 2.85Å; S183-R186 PolarHBondContact O-N 2.77Å; S183-R187 PolarHBondContact O-N 3Å; S183-R187 VanDerWaalsContact O-N 3.11Å
184I88.9Confident87.6Confident1 Ų155.2 Ų55.21%0.00528%0.275CS..Hα-helixtrans-55.1-48.4175.9-64158000109.8K180 L181 R186 R187 T188 E215 L219 L274K180-I184 WeakPolarHBondContact O-CG1 3.31Å; K180-I184 PolarHBondContact O-N 2.79Å; L181-I184 HydrophobicContact CD2-CD1 4.34Å; I184-R186 VanDerWaalsContact C-N 3.34Å; I184-R186 PolarHBondContact O-N 3.39Å; I184-R187 PolarHBondContact O-N 3Å; I184-T188 WeakPolarHBondContact O-CB 3.3Å; I184-T188 PolarHBondContact O-N 3.19Å; I184-T188 PolarHBondContact O-OG1 2.92Å; I184-E215 WeakPolarHBondContact CA-OE2 3.23Å; I184-E215 VanDerWaalsContact CG1-OE2 3.31Å; I184-E215 WeakPolarHBondContact CG1-OE2 3.42Å; I184-E215 HydrophobicContact CG2-CB 4.44Å; I184-L219 HydrophobicContact CD1-CB 4.29Å; I184-L274 HydrophobicContact CG2-CD1 4.18Å
185S89.6Confident86.6Confident15 Ų1555.3 Ų55.311%0.10528%0.276CS..Hα-helixtrans-56.2-43.5179.2-179.40000113.1L181 S183 F189L181-S185 WeakPolarHBondContact O-CB 3.32Å; L181-S185 PolarHBondContact O-N 2.92Å; S183-S185 VanDerWaalsContact C-N 3.3Å; S183-S185 PolarHBondContact O-N 2.85Å; S185-F189 WeakPolarHBondContact O-CD2 3.39Å; S185-F189 PolarHBondContact O-N 3.46Å; S185-F189 VanDerWaalsContact O-N 3.11Å
186R89.2Confident85.6Confident179 Ų17953.5 Ų53.568%0.67527%0.272SS*.Hα-helixtrans-63.8-54.7177.2-71171.5-176.4171.51.8111C182 S183 I184 T188 F189 D190C182-R186 WeakPolarHBondContact O-CG 3.5Å; C182-R186 PolarHBondContact O-N 3.48Å; S183-R186 PolarHBondContact O-N 2.77Å; I184-R186 VanDerWaalsContact C-N 3.34Å; I184-R186 PolarHBondContact O-N 3.39Å; R186-T188 PolarHBondContact O-N 3.24Å; R186-F189 WeakPolarHBondContact O-CA 3.25Å; R186-F189 WeakPolarHBondContact O-CB 3.49Å; R186-F189 PolarHBondContact O-N 3.07Å; R186-D190 PolarHBondContact O-N 3.39Å; R186-D190 VanDerWaalsContact O-OD2 3.13Å
187R86.3Confident84.5Confident127 Ų12757.8 Ų57.848%0.47929%0.289SS..Hα-helixtrans-58.5-36.1-179.7-66.7176.8176.5-171.3-4.5112.7S183 I184 D190 L191 E215S183-R187 PolarHBondContact O-N 3Å; S183-R187 VanDerWaalsContact O-N 3.11Å; I184-R187 PolarHBondContact O-N 3Å; R187-D190 PolarHBondContact O-N 3.4Å; R187-L191 WeakPolarHBondContact O-CB 3.4Å; R187-L191 WeakPolarHBondContact O-CG 3.46Å; R187-L191 PolarHBondContact O-N 3.48Å; R187-E215 HydrophobicContact CB-CG 4.16Å; R187-E215 WeakPolarHBondContact CD-OE1 3.42Å; R187-E215 IonicContact CZ-OE1 3.73Å; R187-E215 IonicContact NE-OE1 3.97Å; R187-E215 IonicContact NH1-OE1 2.78Å; R187-E215 PolarHBondContact NH1-OE1 3.49Å
188T87.3Confident82.8Confident0 Ų058.3 Ų58.30%029%0.293CS..Hα-helixtrans-68-39.5175.6-50.20000111.7I184 R186 Q192 M277 H278 L281I184-T188 WeakPolarHBondContact O-CB 3.3Å; I184-T188 PolarHBondContact O-N 3.19Å; I184-T188 PolarHBondContact O-OG1 2.92Å; R186-T188 PolarHBondContact O-N 3.24Å; T188-Q192 WeakPolarHBondContact O-CB 3.38Å; T188-Q192 PolarHBondContact O-N 3.47Å; T188-M277 HydrophobicContact CG2-CB 4.39Å; T188-M277 HydrophobicContact CG2-CG 3.83Å; T188-M277 HydrophobicContact CG2-SD 3.52Å; T188-M277 VanDerWaalsContact CG2-SD 3.52Å; T188-H278 VanDerWaalsContact CG2-CD2 3.42Å; T188-H278 WeakPolarHBondContact CG2-CD2 3.4Å; T188-H278 PolarHBondContact OG1-NE2 3.13Å; T188-L281 HydrophobicContact CG2-CD1 3.72Å
189F86Confident80.9Confident82 Ų8261.2 Ų61.236%0.3631%0.31SS..Hα-helixtrans-68.3-34.6172.4-79.8-58.6000112.7S185 R186 Q192 T193 M277S185-F189 WeakPolarHBondContact O-CD2 3.39Å; S185-F189 PolarHBondContact O-N 3.46Å; S185-F189 VanDerWaalsContact O-N 3.11Å; R186-F189 WeakPolarHBondContact O-CA 3.25Å; R186-F189 WeakPolarHBondContact O-CB 3.49Å; R186-F189 PolarHBondContact O-N 3.07Å; F189-Q192 PolarHBondContact O-N 2.93Å; F189-T193 WeakPolarHBondContact O-CB 3.17Å; F189-T193 PolarHBondContact O-N 3.33Å; F189-T193 PolarHBondContact O-OG1 3.45Å; F189-M277 HydrophobicContact CD1-CE 4.35Å; F189-M277 HydrophobicContact CD1-SD 4.3Å; F189-M277 HydrophobicContact CE1-CE 3.64Å; F189-M277 HydrophobicContact CE1-SD 4.17Å; F189-M277 HydrophobicContact CZ-CE 3.84Å
190D83.9Confident78.9Confident101 Ų10170.3 Ų70.354%0.5433%0.331SS..Hα-helixtrans-64.4-48.9173.5-62.5-42.7000110.6R186 R187 Q192 T193 V194R186-D190 PolarHBondContact O-N 3.39Å; R186-D190 VanDerWaalsContact O-OD2 3.13Å; R187-D190 PolarHBondContact O-N 3.4Å; D190-Q192 PolarHBondContact O-N 3.4Å; D190-T193 CarbonylContact O-C 3.53Å; D190-T193 WeakPolarHBondContact O-CA 3.12Å; D190-T193 WeakPolarHBondContact O-CB 3.3Å; D190-T193 PolarHBondContact O-N 2.94Å; D190-V194 WeakPolarHBondContact O-CG2 3.36Å; D190-V194 PolarHBondContact O-N 3.34Å
191L83.1Confident76.9Confident12 Ų1268.5 Ų68.56%0.06333%0.333CS..Hα-helixtrans-58.4-44172.4-75.9174.7000112.6R187 T193 V194 L195 D208 V211 L212 L281R187-L191 WeakPolarHBondContact O-CB 3.4Å; R187-L191 WeakPolarHBondContact O-CG 3.46Å; R187-L191 PolarHBondContact O-N 3.48Å; L191-T193 PolarHBondContact O-N 3Å; L191-V194 PolarHBondContact O-N 3.33Å; L191-L195 WeakPolarHBondContact O-CB 3.43Å; L191-L195 WeakPolarHBondContact O-CG 3.5Å; L191-L195 PolarHBondContact O-N 2.97Å; L191-D208 HydrophobicContact CD2-CB 4.08Å; L191-D208 WeakPolarHBondContact CD2-O 3.38Å; L191-V211 HydrophobicContact CD1-CB 4.28Å; L191-V211 HydrophobicContact CD1-CG1 3.93Å; L191-V211 HydrophobicContact CD2-CB 4.27Å; L191-V211 HydrophobicContact CD2-CG1 4.35Å; L191-V211 HydrophobicContact CG-CG1 4.36Å; L191-L212 HydrophobicContact CD1-CB 4.07Å; L191-L212 HydrophobicContact CD1-CD1 4.32Å; L191-L281 HydrophobicContact CB-CD1 4.26Å
192Q84.2Confident75Confident44 Ų4475.5 Ų75.521%0.20638%0.376CS..Hα-helixtrans-59.1-38.5174.4-175.6176.467.400111.3T188 F189 D190 T196 L281T188-Q192 WeakPolarHBondContact O-CB 3.38Å; T188-Q192 PolarHBondContact O-N 3.47Å; F189-Q192 PolarHBondContact O-N 2.93Å; D190-Q192 PolarHBondContact O-N 3.4Å; Q192-T196 HydrophobicContact CG-CG2 4.48Å; Q192-T196 WeakPolarHBondContact O-CB 3.49Å; Q192-T196 VanDerWaalsContact O-CG2 3.26Å; Q192-T196 WeakPolarHBondContact O-CG2 3.4Å; Q192-T196 PolarHBondContact O-N 2.87Å; Q192-T196 PolarHBondContact O-OG1 3.41Å; Q192-L281 HydrophobicContact CB-CD1 4.3Å; Q192-L281 HydrophobicContact CB-CD2 3.82Å; Q192-L281 HydrophobicContact CG-CD2 3.99Å
193T80.9Confident73.6Confident58 Ų5875.5 Ų75.536%0.35638%0.376SS..Hα-helixtrans-69.7-37.7178-61.30000112.2F189 D190 L191 T196 K197F189-T193 WeakPolarHBondContact O-CB 3.17Å; F189-T193 PolarHBondContact O-N 3.33Å; F189-T193 PolarHBondContact O-OG1 3.45Å; D190-T193 CarbonylContact O-C 3.53Å; D190-T193 WeakPolarHBondContact O-CA 3.12Å; D190-T193 WeakPolarHBondContact O-CB 3.3Å; D190-T193 PolarHBondContact O-N 2.94Å; L191-T193 PolarHBondContact O-N 3Å; T193-T196 PolarHBondContact O-OG1 3.42Å; T193-K197 HydrophobicContact CG2-CD 3.9Å; T193-K197 WeakPolarHBondContact O-CB 3.29Å; T193-K197 WeakPolarHBondContact O-CD 3.47Å; T193-K197 VanDerWaalsContact O-CG 3.23Å; T193-K197 WeakPolarHBondContact O-CG 3.49Å; T193-K197 PolarHBondContact O-N 2.99Å
194V75.5Confident72.5Confident53 Ų5377.5 Ų77.532%0.32138%0.383SS..Hα-helixtrans-67.3-55.1173.8173.90000110.5D190 L191 T196 K197 S198 C203 D208D190-V194 WeakPolarHBondContact O-CG2 3.36Å; D190-V194 PolarHBondContact O-N 3.34Å; L191-V194 PolarHBondContact O-N 3.33Å; V194-T196 VanDerWaalsContact C-N 3.27Å; V194-T196 PolarHBondContact O-N 2.98Å; V194-K197 PolarHBondContact O-N 3.17Å; V194-K197 VanDerWaalsContact O-N 3.09Å; V194-S198 WeakPolarHBondContact O-CB 3.45Å; V194-S198 PolarHBondContact O-N 3.47Å; V194-C203 HydrophobicContact CG1-CB 4.42Å; V194-D208 WeakPolarHBondContact CG1-OD2 3.4Å
195L69.7Low71.6Confident8 Ų878 Ų784%0.04239%0.385CS..Hα-helixtrans-65-27.1-175.5-68.1169.2000113.1L191 L205 D208 L281 L288L191-L195 WeakPolarHBondContact O-CB 3.43Å; L191-L195 WeakPolarHBondContact O-CG 3.5Å; L191-L195 PolarHBondContact O-N 2.97Å; L195-L205 HydrophobicContact CD2-CD2 3.83Å; L195-D208 HydrophobicContact CD2-CB 4.34Å; L195-L281 HydrophobicContact CD1-CB 4.35Å; L195-L281 HydrophobicContact CD1-CD2 4.17Å; L195-L288 HydrophobicContact CB-CD1 4.36Å; L195-L288 HydrophobicContact CD2-CD1 3.98Å
196T71.3Confident70.9Confident65 Ų6581.1 Ų81.140%0.39940%0.401SS..Hα-helixtrans-80.7-29.8172.651.60000114Q192 T193 V194Q192-T196 HydrophobicContact CG-CG2 4.48Å; Q192-T196 WeakPolarHBondContact O-CB 3.49Å; Q192-T196 VanDerWaalsContact O-CG2 3.26Å; Q192-T196 WeakPolarHBondContact O-CG2 3.4Å; Q192-T196 PolarHBondContact O-N 2.87Å; Q192-T196 PolarHBondContact O-OG1 3.41Å; T193-T196 PolarHBondContact O-OG1 3.42Å; V194-T196 VanDerWaalsContact C-N 3.27Å; V194-T196 PolarHBondContact O-N 2.98Å
197K66.2Low70.3Confident158 Ų15874.9 Ų74.969%0.68739%0.385SS*.Hα-helixtrans-85.8-16.9178.2-69.9173.2-177.3170.30113.7T193 V194 I199T193-K197 HydrophobicContact CG2-CD 3.9Å; T193-K197 WeakPolarHBondContact O-CB 3.29Å; T193-K197 WeakPolarHBondContact O-CD 3.47Å; T193-K197 VanDerWaalsContact O-CG 3.23Å; T193-K197 WeakPolarHBondContact O-CG 3.49Å; T193-K197 PolarHBondContact O-N 2.99Å; V194-K197 PolarHBondContact O-N 3.17Å; V194-K197 VanDerWaalsContact O-N 3.09Å; K197-I199 PolarHBondContact O-N 2.96Å
198S54.3Low69.9Low12 Ų1269.9 Ų69.98%0.08437%0.368CS..G310 helixtrans-64.44-171.9-171.40000116.8V194 R200 C203V194-S198 WeakPolarHBondContact O-CB 3.45Å; V194-S198 PolarHBondContact O-N 3.47Å; S198-R200 PolarHBondContact O-N 3.47Å; S198-C203 WeakPolarHBondContact OG-CB 3.39Å; S198-C203 PolarHBondContact OG-SG 3.44Å; S198-C203 VanDerWaalsContact OG-SG 3.38Å
199I50.8Low69.5Low149 Ų14970.6 Ų70.676%0.76437%0.371SS*.G310 helixtrans-61.3-14.6-177.3-60.1175.6000112.9K197K197-I199 PolarHBondContact O-N 2.96Å
200R48.5Very low69.2Low253 Ų25369.8 Ų69.896%0.95538%0.376SS*.G310 helixtrans-140.720.5-176.1-119.9-179.6-171.4-163.81.5116S198S198-R200 PolarHBondContact O-N 3.47Å
201G49Very low69.1Low36 Ų3667.8 Ų67.837%0.37137%0.367SS..SBendtrans-136.3159.1-171.700000115.5C203 R292G201-C203 PolarHBondContact O-N 3Å; G201-R292 PolarHBondContact O-NH2 3.17Å; G201-R292 VanDerWaalsContact O-NH2 3.12Å
202T51.5Low69.2Low147 Ų14767.3 Ų67.390%0.90237%0.365SS*.  trans-77.440.6178.1480000113.1N204T202-N204 PolarHBondContact O-N 3.16Å
203C59.2Low69.3Low35 Ų3568.1 Ų68.124%0.23637%0.368CS..  trans-61.3138.2176.2-57.50000110.5V194 S198 G201 L205 R292V194-C203 HydrophobicContact CG1-CB 4.42Å; S198-C203 WeakPolarHBondContact OG-CB 3.39Å; S198-C203 PolarHBondContact OG-SG 3.44Å; S198-C203 VanDerWaalsContact OG-SG 3.38Å; G201-C203 PolarHBondContact O-N 3Å; C203-L205 PolarHBondContact O-N 2.69Å; C203-R292 VanDerWaalsContact O-CZ 3.31Å; C203-R292 PolarHBondContact O-NH1 2.89Å; C203-R292 PolarHBondContact O-NH2 3.41Å
204N67.5Low69.5Low92 Ų9267.7 Ų67.749%0.49237%0.371SS..  trans-86.589.4176.3-178.60.5000109.2T202 N206 S207 D208T202-N204 PolarHBondContact O-N 3.16Å; N204-N206 PolarHBondContact O-N 3.2Å; N204-N206 WeakPolarHBondContact OD1-CB 3.27Å; N204-N206 PolarHBondContact OD1-N 2.95Å; N204-N206 VanDerWaalsContact OD1-N 3.16Å; N204-S207 WeakPolarHBondContact CB-OG 3.32Å; N204-S207 PolarHBondContact O-N 2.89Å; N204-S207 PolarHBondContact O-OG 3.09Å; N204-S207 PolarHBondContact OD1-N 2.58Å; N204-D208 PolarHBondContact O-N 3.44Å; N204-D208 VanDerWaalsContact O-N 3.12Å
205L70.1Confident70.1Confident11 Ų1165.6 Ų65.66%0.05836%0.358CS..Hα-helixtrans-57.2-19.9-179.2-65176000113.2L195 C203 M209 W285 L288 R292L195-L205 HydrophobicContact CD2-CD2 3.83Å; C203-L205 PolarHBondContact O-N 2.69Å; L205-M209 VanDerWaalsContact O-CB 3.28Å; L205-M209 WeakPolarHBondContact O-CB 3.48Å; L205-M209 PolarHBondContact O-N 2.89Å; L205-W285 PolarHBondContact O-NE1 2.8Å; L205-L288 HydrophobicContact CD1-CB 4.15Å; L205-L288 HydrophobicContact CD2-CB 4.38Å; L205-L288 HydrophobicContact CD2-CD1 4.4Å; L205-R292 HydrophobicContact CD1-CG 4.44Å
206N73.8Confident71Confident81 Ų8166.2 Ų66.243%0.43336%0.36SS..Hα-helixtrans-79.8-37.3176.9-66.6-6.8000112N204 S210 Y308N204-N206 PolarHBondContact O-N 3.2Å; N204-N206 WeakPolarHBondContact OD1-CB 3.27Å; N204-N206 PolarHBondContact OD1-N 2.95Å; N204-N206 VanDerWaalsContact OD1-N 3.16Å; N206-S210 PolarHBondContact O-N 3.3Å; N206-S210 VanDerWaalsContact O-N 3.08Å; N206-Y308 PolarHBondContact ND2-OH 3.31Å
207S78Confident71.6Confident49 Ų4967.4 Ų67.434%0.34336%0.364SS..Hα-helixtrans-70.8-40.3172.957.40000111.6N204 M209 S210 V211N204-S207 WeakPolarHBondContact CB-OG 3.32Å; N204-S207 PolarHBondContact O-N 2.89Å; N204-S207 PolarHBondContact O-OG 3.09Å; N204-S207 PolarHBondContact OD1-N 2.58Å; S207-M209 PolarHBondContact O-N 3.18Å; S207-S210 PolarHBondContact O-N 3.35Å; S207-S210 PolarHBondContact O-OG 2.95Å; S207-S210 VanDerWaalsContact O-OG 3.04Å; S207-V211 WeakPolarHBondContact O-CG2 3.5Å; S207-V211 PolarHBondContact O-N 3.08Å; S207-V211 VanDerWaalsContact O-N 3.07Å
208D76.7Confident72.6Confident22 Ų2261.8 Ų61.812%0.11834%0.344CS..Hα-helixtrans-60.2-35.9176.9-60.8-20.8000111L191 V194 L195 N204 L212L191-D208 HydrophobicContact CD2-CB 4.08Å; L191-D208 WeakPolarHBondContact CD2-O 3.38Å; V194-D208 WeakPolarHBondContact CG1-OD2 3.4Å; L195-D208 HydrophobicContact CD2-CB 4.34Å; N204-D208 PolarHBondContact O-N 3.44Å; N204-D208 VanDerWaalsContact O-N 3.12Å; D208-L212 PolarHBondContact O-N 3.03Å; D208-L212 VanDerWaalsContact O-N 3.12Å
209M79.7Confident74.3Confident14 Ų1461.2 Ų61.27%0.06934%0.34CS..Hα-helixtrans-70.7-44.3175.9-173.765.7-164.700113.1L205 S207 V211 L212 E213 L282 W285 L316L205-M209 VanDerWaalsContact O-CB 3.28Å; L205-M209 WeakPolarHBondContact O-CB 3.48Å; L205-M209 PolarHBondContact O-N 2.89Å; S207-M209 PolarHBondContact O-N 3.18Å; M209-V211 VanDerWaalsContact C-N 3.29Å; M209-V211 PolarHBondContact O-N 3.45Å; M209-L212 WeakPolarHBondContact O-CB 3.46Å; M209-L212 PolarHBondContact O-N 3.32Å; M209-L212 VanDerWaalsContact O-N 3.11Å; M209-L212 HydrophobicContact SD-CD2 4.47Å; M209-E213 HydrophobicContact CE-CG 3.92Å; M209-E213 VanDerWaalsContact CE-OE1 3.32Å; M209-E213 WeakPolarHBondContact CE-OE1 3.22Å; M209-E213 PolarHBondContact O-N 3.27Å; M209-L282 HydrophobicContact CE-CD1 3.56Å; M209-L282 HydrophobicContact SD-CD1 4.1Å; M209-W285 HydrophobicContact CB-CZ2 4.28Å; M209-W285 HydrophobicContact CG-CD2 4.3Å; M209-W285 HydrophobicContact CG-CZ2 4.04Å; M209-W285 HydrophobicContact SD-CD2 3.66Å; M209-W285 HydrophobicContact SD-CE3 3.91Å; M209-W285 HydrophobicContact SD-CG 3.96Å; M209-W285 HydrophobicContact SD-CZ2 4.38Å; M209-W285 HydrophobicContact SD-CZ3 4.39Å; M209-L316 HydrophobicContact CE-CD1 3.4Å; M209-L316 VanDerWaalsContact CE-CD1 3.4Å
210S78.4Confident76.1Confident65 Ų6558.8 Ų58.846%0.45532%0.324SS..Hα-helixtrans-66.3-3217966.40000112.5N206 S207 A214N206-S210 PolarHBondContact O-N 3.3Å; N206-S210 VanDerWaalsContact O-N 3.08Å; S207-S210 PolarHBondContact O-N 3.35Å; S207-S210 PolarHBondContact O-OG 2.95Å; S207-S210 VanDerWaalsContact O-OG 3.04Å; S210-A214 WeakPolarHBondContact O-CB 3.28Å; S210-A214 PolarHBondContact O-N 3.48Å
211V83.6Confident77.9Confident59 Ų5953.4 Ų53.436%0.35830%0.304SS..Hα-helixtrans-67.8-42.3170.1-178.40000110.7L191 S207 M209 E213 A214 E215L191-V211 HydrophobicContact CD1-CB 4.28Å; L191-V211 HydrophobicContact CD1-CG1 3.93Å; L191-V211 HydrophobicContact CD2-CB 4.27Å; L191-V211 HydrophobicContact CD2-CG1 4.35Å; L191-V211 HydrophobicContact CG-CG1 4.36Å; S207-V211 WeakPolarHBondContact O-CG2 3.5Å; S207-V211 PolarHBondContact O-N 3.08Å; S207-V211 VanDerWaalsContact O-N 3.07Å; M209-V211 VanDerWaalsContact C-N 3.29Å; M209-V211 PolarHBondContact O-N 3.45Å; V211-E213 VanDerWaalsContact C-N 3.34Å; V211-E213 PolarHBondContact O-N 2.95Å; V211-A214 PolarHBondContact O-N 3.45Å; V211-E215 HydrophobicContact CG1-CG 4.23Å; V211-E215 WeakPolarHBondContact O-CB 3.49Å; V211-E215 WeakPolarHBondContact O-CG 3.29Å; V211-E215 PolarHBondContact O-N 3.07Å
212L85.3Confident79.9Confident3 Ų352 Ų522%0.01629%0.288CS..Hα-helixtrans-60.4-42175.5-175.662.6000112.1L191 D208 M209 H216 H278 L281 L282L191-L212 HydrophobicContact CD1-CB 4.07Å; L191-L212 HydrophobicContact CD1-CD1 4.32Å; D208-L212 PolarHBondContact O-N 3.03Å; D208-L212 VanDerWaalsContact O-N 3.12Å; M209-L212 WeakPolarHBondContact O-CB 3.46Å; M209-L212 PolarHBondContact O-N 3.32Å; M209-L212 VanDerWaalsContact O-N 3.11Å; M209-L212 HydrophobicContact SD-CD2 4.47Å; L212-H216 VanDerWaalsContact O-CB 3.28Å; L212-H216 WeakPolarHBondContact O-CB 3.33Å; L212-H216 PolarHBondContact O-N 3.22Å; L212-H278 HydrophobicContact CD1-CB 4.25Å; L212-L281 HydrophobicContact CD1-CB 4.2Å; L212-L281 HydrophobicContact CD1-CD1 4.19Å; L212-L281 HydrophobicContact CD2-CB 3.91Å; L212-L282 HydrophobicContact CD2-CB 4.33Å
213E84.5Confident81.7Confident60 Ų6046.2 Ų46.228%0.2825%0.251SS..Hα-helixtrans-62-47.2174.3-73.6179.4175.600112.1M209 V211 H216 I217 L316M209-E213 HydrophobicContact CE-CG 3.92Å; M209-E213 VanDerWaalsContact CE-OE1 3.32Å; M209-E213 WeakPolarHBondContact CE-OE1 3.22Å; M209-E213 PolarHBondContact O-N 3.27Å; V211-E213 VanDerWaalsContact C-N 3.34Å; V211-E213 PolarHBondContact O-N 2.95Å; E213-H216 PolarHBondContact O-N 3.39Å; E213-I217 WeakPolarHBondContact O-CG1 3.29Å; E213-I217 PolarHBondContact O-N 2.74Å; E213-L316 HydrophobicContact CG-CD1 3.97Å; E213-L316 HydrophobicContact CG-CD2 4.07Å; E213-L316 HydrophobicContact CG-CG 4.16Å; E213-L316 WeakPolarHBondContact OE1-CD1 3.48Å
214A86Confident83Confident50 Ų5049.7 Ų49.741%0.41326%0.264SS..Hα-helixtrans-63.1-43.917900000112.6S210 V211 H216 I217 S218S210-A214 WeakPolarHBondContact O-CB 3.28Å; S210-A214 PolarHBondContact O-N 3.48Å; V211-A214 PolarHBondContact O-N 3.45Å; A214-H216 VanDerWaalsContact C-N 3.32Å; A214-H216 PolarHBondContact O-N 3.49Å; A214-I217 PolarHBondContact O-N 3.29Å; A214-S218 WeakPolarHBondContact O-CB 3.41Å; A214-S218 PolarHBondContact O-N 3.21Å
215E88.6Confident83.9Confident8 Ų845.6 Ų45.64%0.03724%0.242CC..Hα-helixtrans-66.8-33.1175.1-66.9-53.6134.700111.9I184 R187 V211 S218 L219I184-E215 WeakPolarHBondContact CA-OE2 3.23Å; I184-E215 VanDerWaalsContact CG1-OE2 3.31Å; I184-E215 WeakPolarHBondContact CG1-OE2 3.42Å; I184-E215 HydrophobicContact CG2-CB 4.44Å; R187-E215 HydrophobicContact CB-CG 4.16Å; R187-E215 WeakPolarHBondContact CD-OE1 3.42Å; R187-E215 IonicContact CZ-OE1 3.73Å; R187-E215 IonicContact NE-OE1 3.97Å; R187-E215 IonicContact NH1-OE1 2.78Å; R187-E215 PolarHBondContact NH1-OE1 3.49Å; V211-E215 HydrophobicContact CG1-CG 4.23Å; V211-E215 WeakPolarHBondContact O-CB 3.49Å; V211-E215 WeakPolarHBondContact O-CG 3.29Å; V211-E215 PolarHBondContact O-N 3.07Å; E215-S218 WeakPolarHBondContact O-CB 3.35Å; E215-S218 PolarHBondContact O-N 2.95Å; E215-L219 WeakPolarHBondContact O-CB 3.29Å; E215-L219 PolarHBondContact O-N 3.3Å
216H87.3Confident84.8Confident21 Ų2145.1 Ų45.110%0.09724%0.239CC..Hα-helixtrans-68.2-40.2175.1-167.170.2000112.4L212 E213 A214 S218 L219 K220 W275 H278L212-H216 VanDerWaalsContact O-CB 3.28Å; L212-H216 WeakPolarHBondContact O-CB 3.33Å; L212-H216 PolarHBondContact O-N 3.22Å; E213-H216 PolarHBondContact O-N 3.39Å; A214-H216 VanDerWaalsContact C-N 3.32Å; A214-H216 PolarHBondContact O-N 3.49Å; H216-S218 VanDerWaalsContact C-N 3.32Å; H216-S218 PolarHBondContact O-N 2.74Å; H216-L219 PolarHBondContact O-N 2.84Å; H216-K220 WeakPolarHBondContact O-CB 3.48Å; H216-K220 PolarHBondContact O-N 2.93Å; H216-W275 AromaticContact CE1-CD2 3.91Å; H216-W275 AromaticContact CE1-CE2 3.55Å; H216-W275 AromaticContact CE1-CZ2 3.68Å; H216-W275 AromaticContact CE1-NE1 3.86Å; H216-W275 AromaticContact NE2-CZ2 3.69Å; H216-H278 WeakPolarHBondContact CA-ND1 2.95Å; H216-H278 AromaticContact CG-ND1 3.85Å; H216-H278 AromaticContact ND1-CG 3.95Å; H216-H278 AromaticContact ND1-ND1 3.29Å; H216-H278 PolarHBondContact ND1-ND1 3.4Å
217I84.9Confident85.5Confident91 Ų9144.9 Ų44.947%0.46724%0.244SC..Hα-helixtrans-62.9-40.8172.5-67.1164.5000110.6E213 A214 K220 R221E213-I217 WeakPolarHBondContact O-CG1 3.29Å; E213-I217 PolarHBondContact O-N 2.74Å; A214-I217 PolarHBondContact O-N 3.29Å; I217-K220 PolarHBondContact O-N 2.85Å; I217-R221 WeakPolarHBondContact O-CG 3.37Å; I217-R221 PolarHBondContact O-N 3.01Å; I217-R221 VanDerWaalsContact O-N 3.09Å
218S88.1Confident85.8Confident40 Ų4042.8 Ų42.828%0.2823%0.23SC..Hα-helixtrans-63.4-40.4175.1-1660000112.4A214 E215 H216 S222A214-S218 WeakPolarHBondContact O-CB 3.41Å; A214-S218 PolarHBondContact O-N 3.21Å; E215-S218 WeakPolarHBondContact O-CB 3.35Å; E215-S218 PolarHBondContact O-N 2.95Å; H216-S218 VanDerWaalsContact C-N 3.32Å; H216-S218 PolarHBondContact O-N 2.74Å; S218-S222 WeakPolarHBondContact O-CB 3.44Å; S218-S222 PolarHBondContact O-N 3.45Å; S218-S222 PolarHBondContact O-OG 3.46Å
219L90Very high86.3Confident0 Ų041.8 Ų41.80%023%0.225CC..Hα-helixtrans-65-45.7174.5-178.262.1000111.8L181 I184 E215 H216 R221 S222 M223 L274 W275L181-L219 HydrophobicContact CD2-CD1 3.51Å; I184-L219 HydrophobicContact CD1-CB 4.29Å; E215-L219 WeakPolarHBondContact O-CB 3.29Å; E215-L219 PolarHBondContact O-N 3.3Å; H216-L219 PolarHBondContact O-N 2.84Å; L219-R221 PolarHBondContact O-N 3.44Å; L219-S222 WeakPolarHBondContact O-CB 3.27Å; L219-S222 PolarHBondContact O-N 3.07Å; L219-M223 HydrophobicContact CD1-CG 4.48Å; L219-M223 WeakPolarHBondContact O-CG 3.31Å; L219-M223 PolarHBondContact O-N 3.13Å; L219-L274 HydrophobicContact CD1-CB 4.2Å; L219-L274 HydrophobicContact CD1-CD1 4.41Å; L219-L274 HydrophobicContact CD2-CB 4.02Å; L219-W275 HydrophobicContact CD2-CB 4.06Å; L219-W275 HydrophobicContact CD2-CD2 4.44Å; L219-W275 HydrophobicContact CD2-CE3 4Å; L219-W275 HydrophobicContact CG-CE3 4.09Å
220K88.5Confident86.7Confident97 Ų9742 Ų4242%0.42223%0.231SC..Hα-helixtrans-57.4-46.3176.7-173.3173.7179.9177.60111.7H216 I217 M223 Q224 W275H216-K220 WeakPolarHBondContact O-CB 3.48Å; H216-K220 PolarHBondContact O-N 2.93Å; I217-K220 PolarHBondContact O-N 2.85Å; K220-M223 PolarHBondContact O-N 3.45Å; K220-Q224 WeakPolarHBondContact O-CG 3.31Å; K220-Q224 PolarHBondContact O-N 3.03Å; K220-Q224 VanDerWaalsContact O-N 3.08Å; K220-W275 HydrophobicContact CB-CH2 4.27Å; K220-W275 HydrophobicContact CB-CZ3 4.27Å; K220-W275 HydrophobicContact CG-CH2 4.26Å
221R86Confident87Confident141 Ų14142.9 Ų42.953%0.53222%0.224SC..Hα-helixtrans-61.5-45174.4-71174.5177.9174.2-0.3112.2I217 L219 M223 Q224 T225I217-R221 WeakPolarHBondContact O-CG 3.37Å; I217-R221 PolarHBondContact O-N 3.01Å; I217-R221 VanDerWaalsContact O-N 3.09Å; L219-R221 PolarHBondContact O-N 3.44Å; R221-M223 VanDerWaalsContact C-N 3.31Å; R221-M223 PolarHBondContact O-N 2.93Å; R221-Q224 WeakPolarHBondContact O-CB 3.05Å; R221-Q224 PolarHBondContact O-N 2.94Å; R221-Q224 VanDerWaalsContact O-N 3.13Å; R221-T225 PolarHBondContact O-N 2.92Å; R221-T225 PolarHBondContact O-OG1 3.04Å
222S89.9Confident87.1Confident5 Ų540.1 Ų40.14%0.03521%0.207CC..Hα-helixtrans-58.6-41177.1-61.10000112.4S218 L219 L226S218-S222 WeakPolarHBondContact O-CB 3.44Å; S218-S222 PolarHBondContact O-N 3.45Å; S218-S222 PolarHBondContact O-OG 3.46Å; L219-S222 WeakPolarHBondContact O-CB 3.27Å; L219-S222 PolarHBondContact O-N 3.07Å; S222-L226 WeakPolarHBondContact O-CG 3.31Å; S222-L226 PolarHBondContact O-N 2.92Å; S222-L226 VanDerWaalsContact O-N 3.1Å
223M89.1Confident87.1Confident27 Ų2740 Ų4013%0.13321%0.207CC..Hα-helixtrans-68.7-34.9176.1-65.8-66-78.300112.6L219 K220 R221 L226 S227 T268 W272 W275L219-M223 HydrophobicContact CD1-CG 4.48Å; L219-M223 WeakPolarHBondContact O-CG 3.31Å; L219-M223 PolarHBondContact O-N 3.13Å; K220-M223 PolarHBondContact O-N 3.45Å; R221-M223 VanDerWaalsContact C-N 3.31Å; R221-M223 PolarHBondContact O-N 2.93Å; M223-L226 HydrophobicContact SD-CD1 4.43Å; M223-S227 WeakPolarHBondContact O-CB 3.41Å; M223-S227 PolarHBondContact O-N 2.83Å; M223-T268 HydrophobicContact CE-CG2 3.95Å; M223-W272 HydrophobicContact CE-CD2 3.96Å; M223-W272 HydrophobicContact CE-CG 4.07Å; M223-W272 HydrophobicContact CE-CZ2 4.22Å; M223-W275 HydrophobicContact CG-CE3 4.45Å; M223-W275 HydrophobicContact CG-CZ3 4.42Å
224Q86.5Confident87.1Confident107 Ų10739.9 Ų39.950%0.521%0.213SC..Hα-helixtrans-64.5-46.5174-70.7171.9-61.300111.5K220 R221 L226 S227 A228K220-Q224 WeakPolarHBondContact O-CG 3.31Å; K220-Q224 PolarHBondContact O-N 3.03Å; K220-Q224 VanDerWaalsContact O-N 3.08Å; R221-Q224 WeakPolarHBondContact O-CB 3.05Å; R221-Q224 PolarHBondContact O-N 2.94Å; R221-Q224 VanDerWaalsContact O-N 3.13Å; Q224-L226 PolarHBondContact O-N 3.49Å; Q224-S227 WeakPolarHBondContact O-CB 3.27Å; Q224-S227 PolarHBondContact O-N 3.42Å; Q224-A228 PolarHBondContact O-N 2.72Å
225T87.2Confident86.8Confident6 Ų640.7 Ų40.74%0.03721%0.208CC..Hα-helixtrans-61.6-41.5176.4-58.20000112.3S78 E81 D173 R221 A228 A229S78-T225 VanDerWaalsContact CB-CG2 3.42Å; E81-T225 WeakPolarHBondContact OE1-CA 3.46Å; E81-T225 PolarHBondContact OE1-OG1 3.23Å; D173-T225 HydrophobicContact CB-CG2 4.07Å; R221-T225 PolarHBondContact O-N 2.92Å; R221-T225 PolarHBondContact O-OG1 3.04Å; T225-A228 PolarHBondContact O-N 2.98Å; T225-A229 WeakPolarHBondContact O-CB 3.28Å; T225-A229 PolarHBondContact O-N 2.85Å
226L89.4Confident86.4Confident1 Ų140.3 Ų40.31%0.00521%0.206CC..Hα-helixtrans-62.8-41.2174.4-73.9171.6000112.6T177 L181 S222 M223 Q224 A229 G230 I264 L267T177-L226 HydrophobicContact CG2-CD1 4.11Å; T177-L226 HydrophobicContact CG2-CD2 4.17Å; T177-L226 HydrophobicContact CG2-CG 3.81Å; L181-L226 HydrophobicContact CD1-CD1 4.04Å; S222-L226 WeakPolarHBondContact O-CG 3.31Å; S222-L226 PolarHBondContact O-N 2.92Å; S222-L226 VanDerWaalsContact O-N 3.1Å; M223-L226 HydrophobicContact SD-CD1 4.43Å; Q224-L226 PolarHBondContact O-N 3.49Å; L226-A229 PolarHBondContact O-N 3.45Å; L226-G230 PolarHBondContact O-N 3.44Å; L226-I264 HydrophobicContact CB-CG2 4.41Å; L226-I264 HydrophobicContact CD2-CG1 4.18Å; L226-I264 HydrophobicContact CD2-CG2 4.35Å; L226-L267 HydrophobicContact CD1-CB 3.81Å; L226-L267 HydrophobicContact CD2-CB 3.95Å; L226-L267 HydrophobicContact CD2-CD1 4.01Å
227S87.7Confident86Confident76 Ų7643.9 Ų43.953%0.53122%0.223SC..Hα-helixtrans-62.9-43.4176.5-174.20000111.6M223 Q224 G230 W231M223-S227 WeakPolarHBondContact O-CB 3.41Å; M223-S227 PolarHBondContact O-N 2.83Å; Q224-S227 WeakPolarHBondContact O-CB 3.27Å; Q224-S227 PolarHBondContact O-N 3.42Å; S227-G230 PolarHBondContact O-N 3.04Å; S227-W231 PolarHBondContact O-N 3.03Å
228A84.1Confident85.6Confident6 Ų644.9 Ų44.95%0.0523%0.227CC..Hα-helixtrans-62.8-46.6176.300000112.3E81 M84 Q224 T225 G230 W231 L232E81-A228 HydrophobicContact CG-CB 4.21Å; M84-A228 WeakPolarHBondContact SD-CA 3.3Å; M84-A228 HydrophobicContact SD-CB 3.51Å; M84-A228 VanDerWaalsContact SD-CB 3.51Å; Q224-A228 PolarHBondContact O-N 2.72Å; T225-A228 PolarHBondContact O-N 2.98Å; A228-G230 PolarHBondContact O-N 3.42Å; A228-W231 PolarHBondContact O-N 2.96Å; A228-L232 WeakPolarHBondContact O-CG 3.34Å; A228-L232 PolarHBondContact O-N 3.28Å
229A88.5Confident84.7Confident1 Ų145.2 Ų45.21%0.00822%0.223CC..Hα-helixtrans-58.8-44.5175.500000112.3V170 V174 T225 L226 W231 L232 L233 I264V170-A229 HydrophobicContact CG1-CB 4.06Å; V174-A229 HydrophobicContact CG2-CB 4.31Å; T225-A229 WeakPolarHBondContact O-CB 3.28Å; T225-A229 PolarHBondContact O-N 2.85Å; L226-A229 PolarHBondContact O-N 3.45Å; A229-W231 PolarHBondContact O-N 3.25Å; A229-L232 PolarHBondContact O-N 3.23Å; A229-L233 WeakPolarHBondContact O-CG 2.76Å; A229-L233 PolarHBondContact O-N 3.37Å; A229-I264 HydrophobicContact CB-CD1 3.66Å
230G87.3Confident83.5Confident19 Ų1945.8 Ų45.820%0.19623%0.229CC..Hα-helixtrans-64.2-38.6178.100000113.3L226 S227 A228 S234L226-G230 PolarHBondContact O-N 3.44Å; S227-G230 PolarHBondContact O-N 3.04Å; A228-G230 PolarHBondContact O-N 3.42Å; G230-S234 PolarHBondContact O-N 3.13Å; G230-S234 VanDerWaalsContact O-N 3.11Å; G230-S234 PolarHBondContact O-OG 2.92Å
231W85.4Confident82.2Confident83 Ų8346.1 Ų46.131%0.31424%0.239SC..Hα-helixtrans-65.3-44.3173.9-174.693000111.8M84 S227 A228 A229 L233 S234 Q235M84-W231 HydrophobicContact CE-CB 4.22Å; M84-W231 HydrophobicContact CE-CD2 3.67Å; M84-W231 HydrophobicContact CE-CE3 3.75Å; M84-W231 HydrophobicContact CE-CG 3.89Å; M84-W231 HydrophobicContact CE-CZ3 4.31Å; M84-W231 HydrophobicContact CG-CE3 3.69Å; M84-W231 HydrophobicContact CG-CZ3 3.88Å; M84-W231 HydrophobicContact SD-CB 4.37Å; M84-W231 HydrophobicContact SD-CD2 4.38Å; M84-W231 HydrophobicContact SD-CE3 4.03Å; S227-W231 PolarHBondContact O-N 3.03Å; A228-W231 PolarHBondContact O-N 2.96Å; A229-W231 PolarHBondContact O-N 3.25Å; W231-L233 PolarHBondContact O-N 3.39Å; W231-S234 WeakPolarHBondContact O-CB 3.38Å; W231-S234 PolarHBondContact O-N 2.95Å; W231-S234 VanDerWaalsContact O-N 3.14Å; W231-Q235 HydrophobicContact CD2-CG 3.93Å; W231-Q235 HydrophobicContact CE3-CG 3.81Å; W231-Q235 HydrophobicContact CH2-CG 3.77Å; W231-Q235 HydrophobicContact CZ2-CG 3.86Å; W231-Q235 VanDerWaalsContact CZ2-NE2 3.27Å; W231-Q235 HydrophobicContact CZ3-CG 3.74Å; W231-Q235 WeakPolarHBondContact O-CG 3.37Å; W231-Q235 PolarHBondContact O-N 3.28Å
232L84.5Confident81Confident0 Ų045.3 Ų45.30%024%0.242CC..Hα-helixtrans-63.3-41.9178-70174.6000112.8S80 M84 L159 V170 A228 A229 S234 Q235 L236S80-L232 VanDerWaalsContact CA-CD1 3.45Å; M84-L232 HydrophobicContact CG-CD2 4.08Å; M84-L232 HydrophobicContact CG-CG 4.21Å; L159-L232 HydrophobicContact CD1-CD2 3.98Å; L159-L232 HydrophobicContact CD2-CD2 3.9Å; V170-L232 HydrophobicContact CG2-CB 4.29Å; V170-L232 HydrophobicContact CG2-CD1 4.13Å; A228-L232 WeakPolarHBondContact O-CG 3.34Å; A228-L232 PolarHBondContact O-N 3.28Å; A229-L232 PolarHBondContact O-N 3.23Å; L232-S234 VanDerWaalsContact C-N 3.27Å; L232-S234 PolarHBondContact O-N 3.02Å; L232-Q235 PolarHBondContact O-N 2.89Å; L232-L236 WeakPolarHBondContact O-CB 3.3Å; L232-L236 VanDerWaalsContact O-CG 3.31Å; L232-L236 WeakPolarHBondContact O-CG 3.43Å; L232-L236 PolarHBondContact O-N 3.13Å
233L85.6Confident79.6Confident0 Ų048.3 Ų48.30%026%0.257CS..Hα-helixtrans-60.6-38.8173.2-69.9177.5000111.7V170 A229 W231 L236 Q237 I257 L260 I264V170-L233 HydrophobicContact CG1-CD1 4.28Å; V170-L233 HydrophobicContact CG1-CD2 4.03Å; V170-L233 HydrophobicContact CG1-CG 4.05Å; A229-L233 WeakPolarHBondContact O-CG 2.76Å; A229-L233 PolarHBondContact O-N 3.37Å; W231-L233 PolarHBondContact O-N 3.39Å; L233-L236 PolarHBondContact O-N 3.07Å; L233-Q237 VanDerWaalsContact O-CB 3.3Å; L233-Q237 WeakPolarHBondContact O-CB 3.08Å; L233-Q237 PolarHBondContact O-N 3.07Å; L233-I257 HydrophobicContact CB-CG2 4.42Å; L233-I257 HydrophobicContact CD2-CG1 4.33Å; L233-L260 HydrophobicContact CD1-CB 3.58Å; L233-L260 HydrophobicContact CD2-CB 4.3Å; L233-L260 HydrophobicContact CD2-CD1 4.18Å; L233-I264 HydrophobicContact CD1-CD1 3.63Å
234S83.8Confident78Confident58 Ų5850.6 Ų50.641%0.40627%0.27SS..Hα-helixtrans-63.5-43.1176.2-56.50000111.9G230 W231 L232 Q237 M238G230-S234 PolarHBondContact O-N 3.13Å; G230-S234 VanDerWaalsContact O-N 3.11Å; G230-S234 PolarHBondContact O-OG 2.92Å; W231-S234 WeakPolarHBondContact O-CB 3.38Å; W231-S234 PolarHBondContact O-N 2.95Å; W231-S234 VanDerWaalsContact O-N 3.14Å; L232-S234 VanDerWaalsContact C-N 3.27Å; L232-S234 PolarHBondContact O-N 3.02Å; S234-Q237 PolarHBondContact O-N 3.5Å; S234-M238 WeakPolarHBondContact O-CG 3.49Å; S234-M238 PolarHBondContact O-N 2.59Å; S234-M238 VanDerWaalsContact O-N 3.08Å
235Q80.6Confident76.2Confident68 Ų6847.1 Ų47.132%0.31826%0.257SS..Hα-helixtrans-65.7-42.4174.8-64.5-61.6-1700112.3L159 W231 L232 Q237 M238 F239L159-Q235 HydrophobicContact CD2-CB 3.8Å; W231-Q235 HydrophobicContact CD2-CG 3.93Å; W231-Q235 HydrophobicContact CE3-CG 3.81Å; W231-Q235 HydrophobicContact CH2-CG 3.77Å; W231-Q235 HydrophobicContact CZ2-CG 3.86Å; W231-Q235 VanDerWaalsContact CZ2-NE2 3.27Å; W231-Q235 HydrophobicContact CZ3-CG 3.74Å; W231-Q235 WeakPolarHBondContact O-CG 3.37Å; W231-Q235 PolarHBondContact O-N 3.28Å; L232-Q235 PolarHBondContact O-N 2.89Å; Q235-Q237 VanDerWaalsContact C-N 3.33Å; Q235-Q237 PolarHBondContact O-N 2.84Å; Q235-M238 PolarHBondContact O-N 3.09Å; Q235-F239 WeakPolarHBondContact O-CB 3.31Å; Q235-F239 PolarHBondContact O-N 3.24Å
236L79.9Confident74.3Confident0 Ų054.3 Ų54.30%029%0.289CS..Hα-helixtrans-65.4-35.2176.1-72.6169.4000112.3L159 P163 T166 I167 L232 L233 G240 I257L159-L236 HydrophobicContact CD1-CD1 4.03Å; L159-L236 HydrophobicContact CD1-CD2 3.74Å; L159-L236 HydrophobicContact CD1-CG 3.82Å; L159-L236 HydrophobicContact CG-CD2 4Å; L159-L236 HydrophobicContact CG-CG 4.32Å; P163-L236 HydrophobicContact CB-CD2 4.07Å; T166-L236 HydrophobicContact CG2-CD1 4.35Å; I167-L236 HydrophobicContact CG1-CD1 4.01Å; L232-L236 WeakPolarHBondContact O-CB 3.3Å; L232-L236 VanDerWaalsContact O-CG 3.31Å; L232-L236 WeakPolarHBondContact O-CG 3.43Å; L232-L236 PolarHBondContact O-N 3.13Å; L233-L236 PolarHBondContact O-N 3.07Å; L236-G240 PolarHBondContact O-N 3.02Å; L236-I257 HydrophobicContact CB-CD1 4.21Å
237Q79.7Confident72.5Confident96 Ų9658.4 Ų58.445%0.44932%0.319SS..Hα-helixtrans-64.6-47.5174.1-173.7176.5-4.600111L233 S234 Q235 G240 V241 I257L233-Q237 VanDerWaalsContact O-CB 3.3Å; L233-Q237 WeakPolarHBondContact O-CB 3.08Å; L233-Q237 PolarHBondContact O-N 3.07Å; S234-Q237 PolarHBondContact O-N 3.5Å; Q235-Q237 VanDerWaalsContact C-N 3.33Å; Q235-Q237 PolarHBondContact O-N 2.84Å; Q237-G240 PolarHBondContact O-N 3.16Å; Q237-V241 WeakPolarHBondContact O-CG2 3.49Å; Q237-V241 PolarHBondContact O-N 3Å; Q237-I257 HydrophobicContact CB-CG2 4.31Å
238M76.3Confident70.9Confident112 Ų11259.4 Ų59.455%0.55231%0.311SS*.Hα-helixtrans-59.8-48.9175.6-71.2-60.6-6400111.6S234 Q235 G240 V241 E242S234-M238 WeakPolarHBondContact O-CG 3.49Å; S234-M238 PolarHBondContact O-N 2.59Å; S234-M238 VanDerWaalsContact O-N 3.08Å; Q235-M238 PolarHBondContact O-N 3.09Å; M238-G240 VanDerWaalsContact C-N 3.3Å; M238-G240 PolarHBondContact O-N 3.4Å; M238-V241 PolarHBondContact O-N 3.29Å; M238-E242 PolarHBondContact O-N 2.84Å; M238-E242 VanDerWaalsContact O-N 3.11Å
239F68.9Low69.4Low46 Ų4661.3 Ų61.320%0.20233%0.331CS..Hα-helixtrans-59.8-38.3177-177.5-94.8000113F160 P163 Q235 E242 N243F160-F239 HydrophobicContact CB-CD2 4.37Å; F160-F239 HydrophobicContact CB-CE1 4.5Å; F160-F239 HydrophobicContact CB-CE2 3.81Å; F160-F239 HydrophobicContact CB-CZ 3.88Å; F160-F239 HydrophobicContact CD1-CB 3.99Å; F160-F239 HydrophobicContact CD1-CD1 4.01Å; F160-F239 AromaticContact CD1-CD2 3.31Å; F160-F239 HydrophobicContact CD1-CD2 3.31Å; F160-F239 HydrophobicContact CD1-CE1 4.3Å; F160-F239 AromaticContact CD1-CE2 3.65Å; F160-F239 HydrophobicContact CD1-CE2 3.65Å; F160-F239 AromaticContact CD1-CG 3.5Å; F160-F239 HydrophobicContact CD1-CG 3.5Å; F160-F239 HydrophobicContact CD1-CZ 4.13Å; F160-F239 HydrophobicContact CE1-CB 3.76Å; F160-F239 AromaticContact CE1-CD2 3.68Å; F160-F239 HydrophobicContact CE1-CD2 3.68Å; F160-F239 HydrophobicContact CE1-CE2 4.42Å; F160-F239 AromaticContact CE1-CG 3.79Å; F160-F239 HydrophobicContact CE1-CG 3.79Å; F160-F239 AromaticContact CG-CD2 3.9Å; F160-F239 HydrophobicContact CG-CD2 3.9Å; F160-F239 AromaticContact CG-CE2 3.8Å; F160-F239 HydrophobicContact CG-CE2 3.8Å; F160-F239 HydrophobicContact CG-CG 4.46Å; F160-F239 HydrophobicContact CG-CZ 4.29Å; P163-F239 HydrophobicContact CG-CE1 4.15Å; Q235-F239 WeakPolarHBondContact O-CB 3.31Å; Q235-F239 PolarHBondContact O-N 3.24Å; F239-E242 PolarHBondContact O-N 3.39Å; F239-N243 WeakPolarHBondContact CD2-ND2 3.41Å; F239-N243 VanDerWaalsContact CE2-ND2 3.33Å; F239-N243 WeakPolarHBondContact CE2-ND2 3.35Å; F239-N243 WeakPolarHBondContact O-CB 3.19Å; F239-N243 PolarHBondContact O-N 3.38Å; F239-N243 VanDerWaalsContact O-N 3.07Å; F239-N243 PolarHBondContact O-ND2 2.83Å
240G64.7Low67.8Low12 Ų1261.9 Ų61.912%0.12434%0.337CS..Hα-helixtrans-67.4-37.3176.400000113.6L236 Q237 M238 P245L236-G240 PolarHBondContact O-N 3.02Å; Q237-G240 PolarHBondContact O-N 3.16Å; M238-G240 VanDerWaalsContact C-N 3.3Å; M238-G240 PolarHBondContact O-N 3.4Å; G240-P245 WeakPolarHBondContact O-CD 3.36Å
241V61.3Low66.4Low105 Ų10569.6 Ų69.664%0.63637%0.369SS*.Hα-helixtrans-64.4-43.7174.1169.40000110.8Q237 M238Q237-V241 WeakPolarHBondContact O-CG2 3.49Å; Q237-V241 PolarHBondContact O-N 3Å; M238-V241 PolarHBondContact O-N 3.29Å
242E61Low65.6Low124 Ų12470 Ų7058%0.57938%0.38SS*.Hα-helixtrans-69.7-44.1-178.7-68.9-171.4166.800112.8M238 F239 N244 K529M238-E242 PolarHBondContact O-N 2.84Å; M238-E242 VanDerWaalsContact O-N 3.11Å; F239-E242 PolarHBondContact O-N 3.39Å; E242-N244 PolarHBondContact O-N 3.39Å; E242-K529 WeakPolarHBondContact O-CE 3.34Å; E242-K529 PolarHBondContact O-NZ 3.28Å
243N60.9Low64.9Low68 Ų6870.7 Ų70.736%0.36438%0.383SS..Hα-helixtrans-89.66.6-166-72.5-68.3000116.5F239F239-N243 WeakPolarHBondContact CD2-ND2 3.41Å; F239-N243 VanDerWaalsContact CE2-ND2 3.33Å; F239-N243 WeakPolarHBondContact CE2-ND2 3.35Å; F239-N243 WeakPolarHBondContact O-CB 3.19Å; F239-N243 PolarHBondContact O-N 3.38Å; F239-N243 VanDerWaalsContact O-N 3.07Å; F239-N243 PolarHBondContact O-ND2 2.83Å
244N55.4Low64.3Low74 Ų7474.2 Ų74.240%0.39640%0.404SS..  trans62.2109.7-168-84.929.6000112.5E242 H246 K529E242-N244 PolarHBondContact O-N 3.39Å; N244-H246 PolarHBondContact O-N 3.49Å; N244-K529 PolarHBondContact OD1-NZ 3.02Å
245P48.7Very low64.1Low35 Ų3578.1 Ų78.123%0.22741%0.414CS..G310 helixtrans-69.5-9.9-175.630.4-36.5000113.8G240 S247 Y248 G250G240-P245 WeakPolarHBondContact O-CD 3.36Å; P245-S247 PolarHBondContact O-N 3Å; P245-S247 VanDerWaalsContact O-N 3.1Å; P245-Y248 PolarHBondContact O-N 3.15Å; P245-G250 WeakPolarHBondContact O-CA 3.41Å; P245-G250 PolarHBondContact O-N 3.38Å
246H46.8Very low64.2Low156 Ų15677.3 Ų77.372%0.72241%0.412SS*.G310 helixtrans-58.6-21.4-179.4-58.1-61.8000115N244 Y248N244-H246 PolarHBondContact O-N 3.49Å; H246-Y248 VanDerWaalsContact C-N 3.34Å
247S51.4Low64.4Low88 Ų8877.5 Ų77.562%0.61541%0.413SS*.G310 helixtrans-78.7-13.6173.954.50000114.5P245P245-S247 PolarHBondContact O-N 3Å; P245-S247 VanDerWaalsContact O-N 3.1Å
248Y53.1Low64.6Low96 Ų9676.1 Ų76.138%0.37641%0.413SS..G310 helixtrans-118.824.6-172.8-67.4-76.7000113.2P163 P245 H246P163-Y248 HydrophobicContact CG-CE1 4.43Å; P245-Y248 PolarHBondContact O-N 3.15Å; H246-Y248 VanDerWaalsContact C-N 3.34Å
249G53.9Low65.1Low46 Ų4674.8 Ų74.847%0.47440%0.404SS..THydrogen-bonded Turntrans67.852.2-174.800000111.6E251 T252 F253G249-E251 VanDerWaalsContact C-N 3.31Å; G249-E251 PolarHBondContact O-N 2.96Å; G249-T252 WeakPolarHBondContact O-CB 3.35Å; G249-T252 PolarHBondContact O-N 3.35Å; G249-F253 PolarHBondContact O-N 3.45Å
250G54.7Low66.1Low13 Ų1372.7 Ų72.713%0.13440%0.395CS..Hα-helixtrans-57-25.2-151.800000119.2P245 V254P245-G250 WeakPolarHBondContact O-CA 3.41Å; P245-G250 PolarHBondContact O-N 3.38Å; G250-V254 WeakPolarHBondContact O-CG2 3.31Å; G250-V254 PolarHBondContact O-N 2.66Å
251E57.7Low67.3Low182 Ų18274.2 Ų74.285%0.8540%0.402SS*.Hα-helixtrans-72.5-45.1174.4-64.9-176.8171.600111G249 F253 F255G249-E251 VanDerWaalsContact C-N 3.31Å; G249-E251 PolarHBondContact O-N 2.96Å; E251-F253 PolarHBondContact O-N 3.11Å; E251-F255 VanDerWaalsContact O-CB 3.31Å; E251-F255 WeakPolarHBondContact O-CB 3.26Å; E251-F255 PolarHBondContact O-N 3.02Å
252T67.7Low68.7Low92 Ų9274.4 Ų74.456%0.56440%0.396SS*.Hα-helixtrans-64.1-40.3177-43.30000111.7G249 F255 L256G249-T252 WeakPolarHBondContact O-CB 3.35Å; G249-T252 PolarHBondContact O-N 3.35Å; T252-F255 PolarHBondContact O-N 2.79Å; T252-L256 HydrophobicContact CG2-CD1 4.08Å; T252-L256 HydrophobicContact CG2-CG 4.47Å; T252-L256 WeakPolarHBondContact O-CB 3.24Å; T252-L256 VanDerWaalsContact O-CG 3.26Å; T252-L256 WeakPolarHBondContact O-CG 3.45Å; T252-L256 PolarHBondContact O-N 2.88Å
253F71.5Confident70.1Confident13 Ų1370.7 Ų70.76%0.05738%0.38CS..Hα-helixtrans-62.6-48.2180-173-91.9000112.2P163 I167 G249 E251 L256 I257P163-F253 HydrophobicContact CB-CE2 3.79Å; P163-F253 HydrophobicContact CB-CZ 3.89Å; I167-F253 HydrophobicContact CD1-CD2 3.74Å; I167-F253 HydrophobicContact CD1-CE1 4.36Å; I167-F253 HydrophobicContact CD1-CE2 3.33Å; I167-F253 HydrophobicContact CD1-CG 4.4Å; I167-F253 HydrophobicContact CD1-CZ 3.69Å; I167-F253 HydrophobicContact CG1-CE2 4.42Å; G249-F253 PolarHBondContact O-N 3.45Å; E251-F253 PolarHBondContact O-N 3.11Å; F253-L256 PolarHBondContact O-N 3.38Å; F253-I257 HydrophobicContact CD1-CD1 3.94Å; F253-I257 HydrophobicContact CE1-CD1 3.48Å; F253-I257 VanDerWaalsContact CE1-CD1 3.48Å; F253-I257 HydrophobicContact CZ-CD1 4.06Å; F253-I257 PolarHBondContact O-N 3.17Å; F253-I257 VanDerWaalsContact O-N 3.13Å
254V73.2Confident71.5Confident74 Ų7467.9 Ų67.945%0.44837%0.365SS..Hα-helixtrans-67.1-41.4177.9175.50000111G250 L256 I257 C258G250-V254 WeakPolarHBondContact O-CG2 3.31Å; G250-V254 PolarHBondContact O-N 2.66Å; V254-L256 PolarHBondContact O-N 3.12Å; V254-I257 PolarHBondContact O-N 3.47Å; V254-C258 PolarHBondContact O-N 2.74Å; V254-C258 PolarHBondContact O-SG 3.01Å; V254-C258 VanDerWaalsContact O-SG 3.38Å
255F78.8Confident73.1Confident140 Ų14069.1 Ų69.161%0.61437%0.372SS*.Hα-helixtrans-61.4-40.7176.2-179.2-98.9000112.7E251 T252 C258 K259E251-F255 VanDerWaalsContact O-CB 3.31Å; E251-F255 WeakPolarHBondContact O-CB 3.26Å; E251-F255 PolarHBondContact O-N 3.02Å; T252-F255 PolarHBondContact O-N 2.79Å; F255-C258 PolarHBondContact O-N 3.3Å; F255-K259 VanDerWaalsContact O-CB 3.31Å; F255-K259 WeakPolarHBondContact O-CB 3.44Å; F255-K259 PolarHBondContact O-N 3.04Å
256L81.8Confident75.1Confident52 Ų5272.4 Ų72.427%0.27238%0.382SS..Hα-helixtrans-62.5-45.6175.1-78.6166.9000112T252 F253 V254 K259 L260T252-L256 HydrophobicContact CG2-CD1 4.08Å; T252-L256 HydrophobicContact CG2-CG 4.47Å; T252-L256 WeakPolarHBondContact O-CB 3.24Å; T252-L256 VanDerWaalsContact O-CG 3.26Å; T252-L256 WeakPolarHBondContact O-CG 3.45Å; T252-L256 PolarHBondContact O-N 2.88Å; F253-L256 PolarHBondContact O-N 3.38Å; V254-L256 PolarHBondContact O-N 3.12Å; L256-K259 PolarHBondContact O-N 3.17Å; L256-L260 WeakPolarHBondContact O-CB 3.29Å; L256-L260 WeakPolarHBondContact O-CG 3.47Å; L256-L260 PolarHBondContact O-N 3.5Å
257I84Confident77.3Confident4 Ų465.4 Ų65.42%0.02135%0.35CS..Hα-helixtrans-58.9-53175.5-69.5177000110.2I167 L233 L236 Q237 F253 V254 K259 L260 T261I167-I257 HydrophobicContact CD1-CD1 4.16Å; I167-I257 HydrophobicContact CD1-CG1 3.77Å; L233-I257 HydrophobicContact CB-CG2 4.42Å; L233-I257 HydrophobicContact CD2-CG1 4.33Å; L236-I257 HydrophobicContact CB-CD1 4.21Å; Q237-I257 HydrophobicContact CB-CG2 4.31Å; F253-I257 HydrophobicContact CD1-CD1 3.94Å; F253-I257 HydrophobicContact CE1-CD1 3.48Å; F253-I257 VanDerWaalsContact CE1-CD1 3.48Å; F253-I257 HydrophobicContact CZ-CD1 4.06Å; F253-I257 PolarHBondContact O-N 3.17Å; F253-I257 VanDerWaalsContact O-N 3.13Å; V254-I257 PolarHBondContact O-N 3.47Å; I257-K259 VanDerWaalsContact C-N 3.32Å; I257-K259 PolarHBondContact O-N 3.32Å; I257-L260 PolarHBondContact O-N 2.93Å; I257-L260 VanDerWaalsContact O-N 3.11Å; I257-T261 PolarHBondContact O-N 3.39Å; I257-T261 PolarHBondContact O-OG1 3.4Å; I257-T261 VanDerWaalsContact O-OG1 3.12Å
258C83.9Confident79.1Confident66 Ų6663 Ų6345%0.44633%0.332SS..Hα-helixtrans-58.6-41.3-179.3-66.70000112.8V254 F255 T261 E262V254-C258 PolarHBondContact O-N 2.74Å; V254-C258 PolarHBondContact O-SG 3.01Å; V254-C258 VanDerWaalsContact O-SG 3.38Å; F255-C258 PolarHBondContact O-N 3.3Å; C258-T261 PolarHBondContact O-N 2.77Å; C258-E262 WeakPolarHBondContact O-CB 2.97Å; C258-E262 PolarHBondContact O-N 3.05Å
259K88.2Confident80.8Confident84 Ų8464.8 Ų64.837%0.36534%0.343SS..Hα-helixtrans-63.9-40.8175.9-178.1-163.1168.6-149.30112.1F255 L256 I257 N263F255-K259 VanDerWaalsContact O-CB 3.31Å; F255-K259 WeakPolarHBondContact O-CB 3.44Å; F255-K259 PolarHBondContact O-N 3.04Å; L256-K259 PolarHBondContact O-N 3.17Å; I257-K259 VanDerWaalsContact C-N 3.32Å; I257-K259 PolarHBondContact O-N 3.32Å; K259-N263 WeakPolarHBondContact O-CB 3.28Å; K259-N263 PolarHBondContact O-N 3.5Å; K259-N263 VanDerWaalsContact O-N 3.08Å
260L89.7Confident82.4Confident3 Ų366.4 Ų66.42%0.01634%0.335CS..Hα-helixtrans-70.4-40.5178.4-72.2170000111.5I167 E171 L233 L256 I257 N263 I264I167-L260 HydrophobicContact CG2-CD1 3.88Å; E171-L260 HydrophobicContact CB-CD1 4.34Å; E171-L260 HydrophobicContact CB-CD2 3.97Å; E171-L260 HydrophobicContact CG-CD2 4.08Å; L233-L260 HydrophobicContact CD1-CB 3.58Å; L233-L260 HydrophobicContact CD2-CB 4.3Å; L233-L260 HydrophobicContact CD2-CD1 4.18Å; L256-L260 WeakPolarHBondContact O-CB 3.29Å; L256-L260 WeakPolarHBondContact O-CG 3.47Å; L256-L260 PolarHBondContact O-N 3.5Å; I257-L260 PolarHBondContact O-N 2.93Å; I257-L260 VanDerWaalsContact O-N 3.11Å; L260-N263 PolarHBondContact O-N 3.39Å; L260-I264 WeakPolarHBondContact O-CG1 3.48Å; L260-I264 PolarHBondContact O-N 3.02Å
261T89.7Confident84Confident44 Ų4465.8 Ų65.827%0.2733%0.329SS..Hα-helixtrans-59.4-49.5172.1-54.10000111.2I257 C258 N263 I264 D265I257-T261 PolarHBondContact O-N 3.39Å; I257-T261 PolarHBondContact O-OG1 3.4Å; I257-T261 VanDerWaalsContact O-OG1 3.12Å; C258-T261 PolarHBondContact O-N 2.77Å; T261-N263 PolarHBondContact O-N 2.93Å; T261-I264 PolarHBondContact O-N 2.98Å; T261-D265 PolarHBondContact O-N 2.99Å
262E89.9Confident85.5Confident108 Ų10863.3 Ų63.351%0.50531%0.312SS..Hα-helixtrans-60.2-30.7178.2-159.8-156.6147.600112.5C258 K266C258-E262 WeakPolarHBondContact O-CB 2.97Å; C258-E262 PolarHBondContact O-N 3.05Å; E262-K266 VanDerWaalsContact O-CD 3.26Å; E262-K266 WeakPolarHBondContact O-CD 3.48Å; E262-K266 WeakPolarHBondContact O-CE 3.38Å; E262-K266 WeakPolarHBondContact O-CG 3.36Å; E262-K266 PolarHBondContact O-N 3.46Å; E262-K266 WeakPolarHBondContact OE1-CE 3.26Å; E262-K266 IonicContact OE1-NZ 2.69Å; E262-K266 PolarHBondContact OE1-NZ 3.01Å; E262-K266 IonicContact OE2-NZ 3.82Å
263N90.2Very high86.5Confident47 Ų4761.6 Ų61.625%0.25130%0.304SS..Hα-helixtrans-74.5-42.6172.9-79.71.4000112.3V174 K259 L260 T261 D265 K266 L267V174-N263 HydrophobicContact CG1-CB 4.44Å; K259-N263 WeakPolarHBondContact O-CB 3.28Å; K259-N263 PolarHBondContact O-N 3.5Å; K259-N263 VanDerWaalsContact O-N 3.08Å; L260-N263 PolarHBondContact O-N 3.39Å; T261-N263 PolarHBondContact O-N 2.93Å; N263-D265 VanDerWaalsContact C-N 3.33Å; N263-D265 PolarHBondContact O-N 3.3Å; N263-K266 PolarHBondContact O-N 2.87Å; N263-L267 WeakPolarHBondContact O-CB 3.44Å; N263-L267 VanDerWaalsContact O-CG 3.3Å; N263-L267 WeakPolarHBondContact O-CG 3.4Å; N263-L267 PolarHBondContact O-N 3.42Å
264I91.2Very high87.3Confident8 Ų861.3 Ų61.34%0.04130%0.303CS..Hα-helixtrans-61.1-41.8175.9-71.6170.7000110.7V174 L226 A229 L233 L260 T261 K266 L267 T268V174-I264 HydrophobicContact CG2-CD1 3.85Å; V174-I264 HydrophobicContact CG2-CG1 3.65Å; L226-I264 HydrophobicContact CB-CG2 4.41Å; L226-I264 HydrophobicContact CD2-CG1 4.18Å; L226-I264 HydrophobicContact CD2-CG2 4.35Å; A229-I264 HydrophobicContact CB-CD1 3.66Å; L233-I264 HydrophobicContact CD1-CD1 3.63Å; L260-I264 WeakPolarHBondContact O-CG1 3.48Å; L260-I264 PolarHBondContact O-N 3.02Å; T261-I264 PolarHBondContact O-N 2.98Å; I264-K266 PolarHBondContact O-N 2.98Å; I264-L267 PolarHBondContact O-N 3.28Å; I264-T268 VanDerWaalsContact O-CB 3.22Å; I264-T268 WeakPolarHBondContact O-CB 3.35Å; I264-T268 PolarHBondContact O-N 3.33Å; I264-T268 PolarHBondContact O-OG1 2.9Å
265D89.5Confident88.1Confident100 Ų10060.6 Ų60.654%0.53529%0.292SS..Hα-helixtrans-60.9-45.2177-68.2-31.2000111.7T261 N263 T268 H269T261-D265 PolarHBondContact O-N 2.99Å; N263-D265 VanDerWaalsContact C-N 3.33Å; N263-D265 PolarHBondContact O-N 3.3Å; D265-T268 PolarHBondContact O-N 2.93Å; D265-H269 WeakPolarHBondContact O-CB 2.97Å; D265-H269 PolarHBondContact O-N 3.16Å
266K90.9Very high88.3Confident104 Ų10460 Ų6045%0.45229%0.289SS..Hα-helixtrans-62.3-44.7175.7-70163-166.9157.70112.4E262 N263 I264 T268 H269 R270E262-K266 VanDerWaalsContact O-CD 3.26Å; E262-K266 WeakPolarHBondContact O-CD 3.48Å; E262-K266 WeakPolarHBondContact O-CE 3.38Å; E262-K266 WeakPolarHBondContact O-CG 3.36Å; E262-K266 PolarHBondContact O-N 3.46Å; E262-K266 WeakPolarHBondContact OE1-CE 3.26Å; E262-K266 IonicContact OE1-NZ 2.69Å; E262-K266 PolarHBondContact OE1-NZ 3.01Å; E262-K266 IonicContact OE2-NZ 3.82Å; N263-K266 PolarHBondContact O-N 2.87Å; I264-K266 PolarHBondContact O-N 2.98Å; K266-T268 VanDerWaalsContact C-N 3.35Å; K266-H269 PolarHBondContact O-N 3.42Å; K266-R270 WeakPolarHBondContact O-CB 3.46Å; K266-R270 PolarHBondContact O-N 3.19Å
267L91.5Very high88.5Confident9 Ų959 Ų595%0.04728%0.284CS..Hα-helixtrans-68.3-36178.8-68175000111.6V174 E178 L181 L226 N263 I264 R270 G271V174-L267 HydrophobicContact CG1-CD1 3.84Å; E178-L267 HydrophobicContact CB-CD1 3.96Å; E178-L267 HydrophobicContact CB-CD2 3.78Å; E178-L267 HydrophobicContact CG-CD2 3.82Å; L181-L267 HydrophobicContact CD1-CB 4.07Å; L181-L267 HydrophobicContact CD1-CD2 4.25Å; L226-L267 HydrophobicContact CD1-CB 3.81Å; L226-L267 HydrophobicContact CD2-CB 3.95Å; L226-L267 HydrophobicContact CD2-CD1 4.01Å; N263-L267 WeakPolarHBondContact O-CB 3.44Å; N263-L267 VanDerWaalsContact O-CG 3.3Å; N263-L267 WeakPolarHBondContact O-CG 3.4Å; N263-L267 PolarHBondContact O-N 3.42Å; I264-L267 PolarHBondContact O-N 3.28Å; L267-R270 PolarHBondContact O-N 2.99Å; L267-G271 PolarHBondContact O-N 3.48Å
268T90.1Very high88.8Confident38 Ų3859 Ų5923%0.23328%0.284CS..Hα-helixtrans-65.8-46.2175.2-590000110.7M223 I264 D265 K266 R270 G271 W272M223-T268 HydrophobicContact CE-CG2 3.95Å; I264-T268 VanDerWaalsContact O-CB 3.22Å; I264-T268 WeakPolarHBondContact O-CB 3.35Å; I264-T268 PolarHBondContact O-N 3.33Å; I264-T268 PolarHBondContact O-OG1 2.9Å; D265-T268 PolarHBondContact O-N 2.93Å; K266-T268 VanDerWaalsContact C-N 3.35Å; T268-R270 VanDerWaalsContact C-N 3.32Å; T268-R270 PolarHBondContact O-N 3.04Å; T268-G271 PolarHBondContact O-N 2.88Å; T268-W272 PolarHBondContact O-N 3.13Å
269H88.1Confident88.8Confident133 Ų13359.2 Ų59.262%0.61628%0.28SS*.Hα-helixtrans-59.3-41.8172.7-174.1-62.6000111.9D265 K266 W272 S273D265-H269 WeakPolarHBondContact O-CB 2.97Å; D265-H269 PolarHBondContact O-N 3.16Å; K266-H269 PolarHBondContact O-N 3.42Å; H269-W272 PolarHBondContact O-N 3.5Å; H269-S273 PolarHBondContact ND1-OG 3.44Å; H269-S273 PolarHBondContact O-N 3.45Å; H269-S273 PolarHBondContact O-OG 3.07Å
270R88.2Confident88.5Confident81 Ų8159.7 Ų59.731%0.30628%0.283SS..Hα-helixtrans-65-39.7175.5-173.5177.9-179.7-172.4-1.8112C182 K266 L267 T268 S273 L274C182-R270 PolarHBondContact SG-NH1 2.99Å; C182-R270 PolarHBondContact SG-NH2 3.4Å; C182-R270 VanDerWaalsContact SG-NH2 3.37Å; K266-R270 WeakPolarHBondContact O-CB 3.46Å; K266-R270 PolarHBondContact O-N 3.19Å; L267-R270 PolarHBondContact O-N 2.99Å; T268-R270 VanDerWaalsContact C-N 3.32Å; T268-R270 PolarHBondContact O-N 3.04Å; R270-S273 WeakPolarHBondContact O-CB 3.46Å; R270-S273 PolarHBondContact O-N 3.14Å; R270-L274 WeakPolarHBondContact O-CG 3.45Å; R270-L274 PolarHBondContact O-N 3.27Å
271G88.5Confident88.2Confident0 Ų059.6 Ų59.60%028%0.283CS..Hα-helixtrans-62.5-45.6174.700000112.5L267 T268 S273 L274 W275L267-G271 PolarHBondContact O-N 3.48Å; T268-G271 PolarHBondContact O-N 2.88Å; G271-S273 VanDerWaalsContact C-N 3.32Å; G271-S273 PolarHBondContact O-N 3.47Å; G271-L274 PolarHBondContact O-N 3.06Å; G271-W275 PolarHBondContact O-N 3.47Å
272W88.7Confident87.7Confident129 Ų12958 Ų5849%0.48927%0.272SS..Hα-helixtrans-59.3-40.8170.7-73.8119000112.6M223 T268 H269 L274 W275 F276M223-W272 HydrophobicContact CE-CD2 3.96Å; M223-W272 HydrophobicContact CE-CG 4.07Å; M223-W272 HydrophobicContact CE-CZ2 4.22Å; T268-W272 PolarHBondContact O-N 3.13Å; H269-W272 PolarHBondContact O-N 3.5Å; W272-L274 VanDerWaalsContact C-N 3.31Å; W272-L274 PolarHBondContact O-N 3.32Å; W272-W275 HydrophobicContact CE3-CB 4.37Å; W272-W275 HydrophobicContact CE3-CG 4.43Å; W272-W275 WeakPolarHBondContact O-CB 3.3Å; W272-W275 PolarHBondContact O-N 3.29Å; W272-W275 VanDerWaalsContact O-N 3.08Å; W272-F276 HydrophobicContact CB-CE2 4.36Å; W272-F276 WeakPolarHBondContact O-CD2 3.21Å; W272-F276 PolarHBondContact O-N 3.46Å
273S88.2Confident87Confident56 Ų5659.4 Ų59.439%0.39228%0.279SS..Hα-helixtrans-61.4-40177.3-52.50000111.9H269 R270 G271 M277H269-S273 PolarHBondContact ND1-OG 3.44Å; H269-S273 PolarHBondContact O-N 3.45Å; H269-S273 PolarHBondContact O-OG 3.07Å; R270-S273 WeakPolarHBondContact O-CB 3.46Å; R270-S273 PolarHBondContact O-N 3.14Å; G271-S273 VanDerWaalsContact C-N 3.32Å; G271-S273 PolarHBondContact O-N 3.47Å; S273-M277 PolarHBondContact O-N 2.94Å
274L88.8Confident86.4Confident7 Ų761.7 Ų61.74%0.03728%0.284CS..Hα-helixtrans-69.8-35172.3-66.6172.1000112.1L181 I184 L219 R270 G271 W272 M277 H278L181-L274 HydrophobicContact CD2-CD1 4.16Å; I184-L274 HydrophobicContact CG2-CD1 4.18Å; L219-L274 HydrophobicContact CD1-CB 4.2Å; L219-L274 HydrophobicContact CD1-CD1 4.41Å; L219-L274 HydrophobicContact CD2-CB 4.02Å; R270-L274 WeakPolarHBondContact O-CG 3.45Å; R270-L274 PolarHBondContact O-N 3.27Å; G271-L274 PolarHBondContact O-N 3.06Å; W272-L274 VanDerWaalsContact C-N 3.31Å; W272-L274 PolarHBondContact O-N 3.32Å; L274-M277 CarbonylContact O-C 3.58Å; L274-M277 WeakPolarHBondContact O-CB 3.43Å; L274-M277 PolarHBondContact O-N 3.13Å; L274-H278 PolarHBondContact O-CD2 3.49Å; L274-H278 PolarHBondContact O-N 3.34Å
275W90Very high85.7Confident59 Ų5962.9 Ų62.922%0.22329%0.288CS..Hα-helixtrans-62.4-46.1178.1-161.3-66.3000111.6H216 L219 K220 M223 G271 W272 M277 H278 L279H216-W275 AromaticContact CE1-CD2 3.91Å; H216-W275 AromaticContact CE1-CE2 3.55Å; H216-W275 AromaticContact CE1-CZ2 3.68Å; H216-W275 AromaticContact CE1-NE1 3.86Å; H216-W275 AromaticContact NE2-CZ2 3.69Å; L219-W275 HydrophobicContact CD2-CB 4.06Å; L219-W275 HydrophobicContact CD2-CD2 4.44Å; L219-W275 HydrophobicContact CD2-CE3 4Å; L219-W275 HydrophobicContact CG-CE3 4.09Å; K220-W275 HydrophobicContact CB-CH2 4.27Å; K220-W275 HydrophobicContact CB-CZ3 4.27Å; K220-W275 HydrophobicContact CG-CH2 4.26Å; M223-W275 HydrophobicContact CG-CE3 4.45Å; M223-W275 HydrophobicContact CG-CZ3 4.42Å; G271-W275 PolarHBondContact O-N 3.47Å; W272-W275 HydrophobicContact CE3-CB 4.37Å; W272-W275 HydrophobicContact CE3-CG 4.43Å; W272-W275 WeakPolarHBondContact O-CB 3.3Å; W272-W275 PolarHBondContact O-N 3.29Å; W272-W275 VanDerWaalsContact O-N 3.08Å; W275-M277 VanDerWaalsContact C-N 3.33Å; W275-M277 PolarHBondContact O-N 2.87Å; W275-H278 PolarHBondContact O-N 3.41Å; W275-L279 WeakPolarHBondContact O-CG 3.41Å; W275-L279 PolarHBondContact O-N 2.92Å; W275-L279 VanDerWaalsContact O-N 3.09Å
276F84.2Confident85.1Confident127 Ų12761 Ų6156%0.55728%0.275SS*.Hα-helixtrans-62.5-40.2173.5-66.7-61.9000111.8W272 H278 L279 E280W272-F276 HydrophobicContact CB-CE2 4.36Å; W272-F276 WeakPolarHBondContact O-CD2 3.21Å; W272-F276 PolarHBondContact O-N 3.46Å; F276-H278 VanDerWaalsContact C-N 3.33Å; F276-H278 PolarHBondContact O-N 3.37Å; F276-L279 PolarHBondContact O-N 3.35Å; F276-E280 PolarHBondContact O-N 2.95Å
277M86.1Confident84.1Confident32 Ų3264.1 Ų64.116%0.15829%0.285CS..Hα-helixtrans-62-38.4174.4-168.2180-64.800112.4T188 F189 S273 L274 W275 L279 E280 L281T188-M277 HydrophobicContact CG2-CB 4.39Å; T188-M277 HydrophobicContact CG2-CG 3.83Å; T188-M277 HydrophobicContact CG2-SD 3.52Å; T188-M277 VanDerWaalsContact CG2-SD 3.52Å; F189-M277 HydrophobicContact CD1-CE 4.35Å; F189-M277 HydrophobicContact CD1-SD 4.3Å; F189-M277 HydrophobicContact CE1-CE 3.64Å; F189-M277 HydrophobicContact CE1-SD 4.17Å; F189-M277 HydrophobicContact CZ-CE 3.84Å; S273-M277 PolarHBondContact O-N 2.94Å; L274-M277 CarbonylContact O-C 3.58Å; L274-M277 WeakPolarHBondContact O-CB 3.43Å; L274-M277 PolarHBondContact O-N 3.13Å; W275-M277 VanDerWaalsContact C-N 3.33Å; W275-M277 PolarHBondContact O-N 2.87Å; M277-L279 VanDerWaalsContact C-N 3.35Å; M277-E280 PolarHBondContact O-N 3.43Å; M277-L281 VanDerWaalsContact O-CG 3.3Å; M277-L281 WeakPolarHBondContact O-CG 3.45Å; M277-L281 PolarHBondContact O-N 2.75Å
278H88.4Confident83.1Confident5 Ų565 Ų652%0.02329%0.29CS..Hα-helixtrans-64.1-40.2175.4-74.5-156.9000111.5T188 L212 H216 L274 W275 F276 L281 L282T188-H278 VanDerWaalsContact CG2-CD2 3.42Å; T188-H278 WeakPolarHBondContact CG2-CD2 3.4Å; T188-H278 PolarHBondContact OG1-NE2 3.13Å; L212-H278 HydrophobicContact CD1-CB 4.25Å; H216-H278 WeakPolarHBondContact CA-ND1 2.95Å; H216-H278 AromaticContact CG-ND1 3.85Å; H216-H278 AromaticContact ND1-CG 3.95Å; H216-H278 AromaticContact ND1-ND1 3.29Å; H216-H278 PolarHBondContact ND1-ND1 3.4Å; L274-H278 PolarHBondContact O-CD2 3.49Å; L274-H278 PolarHBondContact O-N 3.34Å; W275-H278 PolarHBondContact O-N 3.41Å; F276-H278 VanDerWaalsContact C-N 3.33Å; F276-H278 PolarHBondContact O-N 3.37Å; H278-L281 PolarHBondContact O-N 2.84Å; H278-L282 VanDerWaalsContact O-CB 3.31Å; H278-L282 WeakPolarHBondContact O-CB 3.45Å; H278-L282 PolarHBondContact O-N 3.41Å
279L84Confident82Confident70 Ų7065.1 Ų65.137%0.36629%0.292SS..Hα-helixtrans-65.8-42.9174.6-65.3173000112W275 F276 M277 L281 L282 E283W275-L279 WeakPolarHBondContact O-CG 3.41Å; W275-L279 PolarHBondContact O-N 2.92Å; W275-L279 VanDerWaalsContact O-N 3.09Å; F276-L279 PolarHBondContact O-N 3.35Å; M277-L279 VanDerWaalsContact C-N 3.35Å; L279-L281 PolarHBondContact O-N 3Å; L279-L282 WeakPolarHBondContact O-CB 3.25Å; L279-L282 PolarHBondContact O-N 3.48Å; L279-E283 PolarHBondContact O-N 2.91Å
280E82.5Confident80.8Confident93 Ų9365.9 Ų65.944%0.43529%0.294SS..Hα-helixtrans-60.4-43.2173.5-79.8-169.5-139.100112.6F276 M277 L282 E283 R284F276-E280 PolarHBondContact O-N 2.95Å; M277-E280 PolarHBondContact O-N 3.43Å; E280-L282 VanDerWaalsContact C-N 3.34Å; E280-E283 PolarHBondContact O-N 3.11Å; E280-R284 VanDerWaalsContact O-CG 3.28Å; E280-R284 WeakPolarHBondContact O-CG 3.5Å; E280-R284 PolarHBondContact O-N 3.29Å; E280-R284 IonicContact OE2-CZ 2.69Å; E280-R284 IonicContact OE2-NE 2.91Å; E280-R284 IonicContact OE2-NH2 2.77Å; E280-R284 PolarHBondContact OE2-NH2 3.47Å
281L82.9Confident79.4Confident1 Ų163.9 Ų63.91%0.00529%0.292CS..Hα-helixtrans-66.6-37.8177.6-67.6-179.3000111.6T188 L191 Q192 L195 L212 M277 H278 L279 R284 W285T188-L281 HydrophobicContact CG2-CD1 3.72Å; L191-L281 HydrophobicContact CB-CD1 4.26Å; Q192-L281 HydrophobicContact CB-CD1 4.3Å; Q192-L281 HydrophobicContact CB-CD2 3.82Å; Q192-L281 HydrophobicContact CG-CD2 3.99Å; L195-L281 HydrophobicContact CD1-CB 4.35Å; L195-L281 HydrophobicContact CD1-CD2 4.17Å; L212-L281 HydrophobicContact CD1-CB 4.2Å; L212-L281 HydrophobicContact CD1-CD1 4.19Å; L212-L281 HydrophobicContact CD2-CB 3.91Å; M277-L281 VanDerWaalsContact O-CG 3.3Å; M277-L281 WeakPolarHBondContact O-CG 3.45Å; M277-L281 PolarHBondContact O-N 2.75Å; H278-L281 PolarHBondContact O-N 2.84Å; L279-L281 PolarHBondContact O-N 3Å; L281-R284 PolarHBondContact O-N 3.3Å; L281-W285 WeakPolarHBondContact O-CB 3.38Å; L281-W285 PolarHBondContact O-N 3.34Å
282L80.7Confident77.6Confident10 Ų1067.4 Ų67.45%0.05231%0.305CS..Hα-helixtrans-62.1-40.3173.5-179.566.5000111.8M209 L212 H278 L279 E280 K286 L316M209-L282 HydrophobicContact CE-CD1 3.56Å; M209-L282 HydrophobicContact SD-CD1 4.1Å; L212-L282 HydrophobicContact CD2-CB 4.33Å; H278-L282 VanDerWaalsContact O-CB 3.31Å; H278-L282 WeakPolarHBondContact O-CB 3.45Å; H278-L282 PolarHBondContact O-N 3.41Å; L279-L282 WeakPolarHBondContact O-CB 3.25Å; L279-L282 PolarHBondContact O-N 3.48Å; E280-L282 VanDerWaalsContact C-N 3.34Å; L282-K286 HydrophobicContact CG-CD 4.41Å; L282-K286 WeakPolarHBondContact O-CB 3.38Å; L282-K286 WeakPolarHBondContact O-CD 3.15Å; L282-K286 VanDerWaalsContact O-CG 3.23Å; L282-K286 WeakPolarHBondContact O-CG 3.26Å; L282-K286 PolarHBondContact O-N 3.39Å; L282-L316 HydrophobicContact CD1-CD1 4.13Å
283E74.9Confident75.5Confident138 Ų13864.1 Ų64.165%0.64530%0.302SS*.Hα-helixtrans-69.8-42.1174.9-71.8-167.6163.800112.7L279 E280 W285 K286 Y287L279-E283 PolarHBondContact O-N 2.91Å; E280-E283 PolarHBondContact O-N 3.11Å; E283-W285 VanDerWaalsContact C-N 3.32Å; E283-W285 PolarHBondContact O-N 3.27Å; E283-K286 WeakPolarHBondContact O-CB 3.39Å; E283-K286 PolarHBondContact O-N 3.14Å; E283-Y287 PolarHBondContact O-N 3.15Å
284R76.5Confident73.1Confident95 Ų9564.7 Ų64.736%0.35831%0.306SS..Hα-helixtrans-61.5-40.6173.6-69.1174.2-161.5-155.38.8111.3E280 L281 Y287 L288E280-R284 VanDerWaalsContact O-CG 3.28Å; E280-R284 WeakPolarHBondContact O-CG 3.5Å; E280-R284 PolarHBondContact O-N 3.29Å; E280-R284 IonicContact OE2-CZ 2.69Å; E280-R284 IonicContact OE2-NE 2.91Å; E280-R284 IonicContact OE2-NH2 2.77Å; E280-R284 PolarHBondContact OE2-NH2 3.47Å; L281-R284 PolarHBondContact O-N 3.3Å; R284-Y287 WeakPolarHBondContact O-CB 3.36Å; R284-Y287 PolarHBondContact O-N 3.36Å; R284-L288 WeakPolarHBondContact O-CG 3.38Å; R284-L288 PolarHBondContact O-N 3.46Å
285W77.8Confident70.8Confident33 Ų3371.3 Ų71.313%0.12534%0.335CS..Hα-helixtrans-63.1-44173.5-18091.3000112.1L205 M209 L281 E283 Y287 L288 S289L205-W285 PolarHBondContact O-NE1 2.8Å; M209-W285 HydrophobicContact CB-CZ2 4.28Å; M209-W285 HydrophobicContact CG-CD2 4.3Å; M209-W285 HydrophobicContact CG-CZ2 4.04Å; M209-W285 HydrophobicContact SD-CD2 3.66Å; M209-W285 HydrophobicContact SD-CE3 3.91Å; M209-W285 HydrophobicContact SD-CG 3.96Å; M209-W285 HydrophobicContact SD-CZ2 4.38Å; M209-W285 HydrophobicContact SD-CZ3 4.39Å; L281-W285 WeakPolarHBondContact O-CB 3.38Å; L281-W285 PolarHBondContact O-N 3.34Å; E283-W285 VanDerWaalsContact C-N 3.32Å; E283-W285 PolarHBondContact O-N 3.27Å; W285-Y287 PolarHBondContact O-N 3.36Å; W285-L288 PolarHBondContact O-N 2.99Å; W285-S289 PolarHBondContact O-N 2.83Å; W285-S289 PolarHBondContact O-OG 2.84Å
286K75.6Confident68.3Low60 Ų6073.6 Ų73.626%0.26135%0.348SS..Hα-helixtrans-60.9-26173.4-74.4165.2-177.4169.70113.1L282 E283 K290L282-K286 HydrophobicContact CG-CD 4.41Å; L282-K286 WeakPolarHBondContact O-CB 3.38Å; L282-K286 WeakPolarHBondContact O-CD 3.15Å; L282-K286 VanDerWaalsContact O-CG 3.23Å; L282-K286 WeakPolarHBondContact O-CG 3.26Å; L282-K286 PolarHBondContact O-N 3.39Å; E283-K286 WeakPolarHBondContact O-CB 3.39Å; E283-K286 PolarHBondContact O-N 3.14Å; K286-K290 WeakPolarHBondContact O-CD 3.43Å; K286-K290 VanDerWaalsContact O-CG 3.26Å; K286-K290 WeakPolarHBondContact O-CG 3.2Å
287Y71.4Confident66.1Low170 Ų17074.3 Ų74.367%0.66736%0.358SS*.Hα-helixtrans-81.7-42.2173.4-176.8-91.2000112.3E283 R284 W285 S291E283-Y287 PolarHBondContact O-N 3.15Å; R284-Y287 WeakPolarHBondContact O-CB 3.36Å; R284-Y287 PolarHBondContact O-N 3.36Å; W285-Y287 PolarHBondContact O-N 3.36Å; Y287-S291 PolarHBondContact O-N 2.89Å; Y287-S291 PolarHBondContact O-OG 3.17Å
288L68.7Low63.7Low29 Ų2979.1 Ų79.115%0.15238%0.384CS..Hα-helixtrans-68-41.6179.6-71.9168.9000113L195 L205 R284 W285 S291 R292L195-L288 HydrophobicContact CB-CD1 4.36Å; L195-L288 HydrophobicContact CD2-CD1 3.98Å; L205-L288 HydrophobicContact CD1-CB 4.15Å; L205-L288 HydrophobicContact CD2-CB 4.38Å; L205-L288 HydrophobicContact CD2-CD1 4.4Å; R284-L288 WeakPolarHBondContact O-CG 3.38Å; R284-L288 PolarHBondContact O-N 3.46Å; W285-L288 PolarHBondContact O-N 2.99Å; L288-S291 WeakPolarHBondContact CA-OG 3.38Å; L288-S291 PolarHBondContact O-N 3.33Å; L288-S291 PolarHBondContact O-OG 3.32Å; L288-R292 PolarHBondContact O-N 3.08Å
289S67.9Low61.2Low39 Ų3985.4 Ų85.427%0.27342%0.417SS..Hα-helixtrans-64.1-43.1175.3540000111.9W285 R292 S293W285-S289 PolarHBondContact O-N 2.83Å; W285-S289 PolarHBondContact O-OG 2.84Å; S289-R292 PolarHBondContact O-N 3.38Å; S289-S293 PolarHBondContact O-N 2.83Å
290K63.5Low58.8Low150 Ų15087 Ų8765%0.65243%0.43SS*.Hα-helixtrans-59.9-45.9171.9-75.8179-177.7-178.10112.2K286 S293 S294K286-K290 WeakPolarHBondContact O-CD 3.43Å; K286-K290 VanDerWaalsContact O-CG 3.26Å; K286-K290 WeakPolarHBondContact O-CG 3.2Å; K290-S293 PolarHBondContact O-N 3.49Å; K290-S293 PolarHBondContact O-OG 3.37Å; K290-S294 PolarHBondContact O-N 3.34Å; K290-S294 VanDerWaalsContact O-N 3.12Å; K290-S294 PolarHBondContact O-OG 2.98Å
291S57.4Low56.1Low38 Ų3891.5 Ų91.527%0.26645%0.451SS..Hα-helixtrans-70.8-31.2-178.344.20000113.7Y287 L288 S294 F295Y287-S291 PolarHBondContact O-N 2.89Å; Y287-S291 PolarHBondContact O-OG 3.17Å; L288-S291 WeakPolarHBondContact CA-OG 3.38Å; L288-S291 PolarHBondContact O-N 3.33Å; L288-S291 PolarHBondContact O-OG 3.32Å; S291-S294 WeakPolarHBondContact CA-OG 3.5Å; S291-S294 PolarHBondContact O-N 2.91Å; S291-S294 PolarHBondContact O-OG 3.25Å; S291-F295 PolarHBondContact O-N 3.11Å
292R51Low53.7Low74 Ų7497 Ų9728%0.27948%0.484SS..Hα-helixtrans-63.7-44.5164.3-86.3-158.9-178163.67112.4G201 C203 L205 L288 S289 S294 F295 E296G201-R292 PolarHBondContact O-NH2 3.17Å; G201-R292 VanDerWaalsContact O-NH2 3.12Å; C203-R292 VanDerWaalsContact O-CZ 3.31Å; C203-R292 PolarHBondContact O-NH1 2.89Å; C203-R292 PolarHBondContact O-NH2 3.41Å; L205-R292 HydrophobicContact CD1-CG 4.44Å; L288-R292 PolarHBondContact O-N 3.08Å; S289-R292 PolarHBondContact O-N 3.38Å; R292-S294 PolarHBondContact O-N 3.45Å; R292-S294 VanDerWaalsContact O-N 3.11Å; R292-F295 WeakPolarHBondContact O-CA 3.37Å; R292-F295 PolarHBondContact O-N 3.34Å; R292-E296 WeakPolarHBondContact CD-OE1 3.22Å; R292-E296 PolarHBondContact O-N 3.42Å
293S46Very low51.1Low61 Ų61103.3 Ų103.343%0.42752%0.518SS..Hα-helixtrans-59.5-26.5177.2790000113.4S289 K290 N297S289-S293 PolarHBondContact O-N 2.83Å; K290-S293 PolarHBondContact O-N 3.49Å; K290-S293 PolarHBondContact O-OG 3.37Å; S293-N297 WeakPolarHBondContact O-CB 3.39Å; S293-N297 PolarHBondContact O-ND2 3Å
294S37.6Very low49Very low68 Ų68104.1 Ų104.148%0.47653%0.527SS..Hα-helixtrans-82-17.6170.449.90000115.5K290 S291 R292K290-S294 PolarHBondContact O-N 3.34Å; K290-S294 VanDerWaalsContact O-N 3.12Å; K290-S294 PolarHBondContact O-OG 2.98Å; S291-S294 WeakPolarHBondContact CA-OG 3.5Å; S291-S294 PolarHBondContact O-N 2.91Å; S291-S294 PolarHBondContact O-OG 3.25Å; R292-S294 PolarHBondContact O-N 3.45Å; R292-S294 VanDerWaalsContact O-N 3.11Å
295F39.2Very low46.8Very low146 Ų146110.5 Ų110.564%0.6455%0.551SS**Hα-helixtrans-96-34.5179.4-105.7-84000113.3S291 R292 L298S291-F295 PolarHBondContact O-N 3.11Å; R292-F295 WeakPolarHBondContact O-CA 3.37Å; R292-F295 PolarHBondContact O-N 3.34Å; F295-L298 PolarHBondContact O-N 3.42Å
296E38.1Very low44.7Very low107 Ų107113.8 Ų113.850%0.557%0.574SS.*Hα-helixtrans-73.4-38.1179.1-71.7160.4170.500110.7R292 L298 N299 V300R292-E296 WeakPolarHBondContact CD-OE1 3.22Å; R292-E296 PolarHBondContact O-N 3.42Å; E296-L298 PolarHBondContact O-N 2.99Å; E296-N299 PolarHBondContact O-N 3.5Å; E296-N299 VanDerWaalsContact O-N 3.11Å; E296-V300 PolarHBondContact O-N 3.29Å; E296-V300 VanDerWaalsContact O-N 3.13Å
297N37.1Very low42.6Very low141 Ų141117.1 Ų117.175%0.75460%0.595SS**THydrogen-bonded Turntrans-62.7-0.5168.4-81.3-45.6000114.8S293S293-N297 WeakPolarHBondContact O-CB 3.39Å; S293-N297 PolarHBondContact O-ND2 3Å
298L36.3Very low40.7Very low134 Ų134117.4 Ų117.470%0.70260%0.596SS**THydrogen-bonded Turntrans-110.9-1.8175.3-88.6169.4000114F295 E296F295-L298 PolarHBondContact O-N 3.42Å; E296-L298 PolarHBondContact O-N 2.99Å
299N36.8Very low38.8Very low136 Ų136120.4 Ų120.473%0.72762%0.62SS**THydrogen-bonded Turntrans-140.7-12.6-177.2-85.2-61.4000116.1E296E296-N299 PolarHBondContact O-N 3.5Å; E296-N299 VanDerWaalsContact O-N 3.11Å
300V32.5Very low37.2Very low104 Ų104124.4 Ų124.463%0.6364%0.643SS**  trans-132.779.4178.6-167.50000111.2E296E296-V300 PolarHBondContact O-N 3.29Å; E296-V300 VanDerWaalsContact O-N 3.13Å
301E27.2Very low35.6Very low188 Ų188121.5 Ų121.588%0.87964%0.641SS**  trans-69.2153145.2-68.3-172.3123.800108.6
302V30.6Very low34.4Very low115 Ų115122 Ų12270%0.69765%0.645SS**SBendtrans84.7113.1-176.6-173.10000115.8
303N28Very low33.5Very low143 Ų143121.4 Ų121.477%0.76565%0.649SS**SBendtrans81.5143.6164.6-61.3-17.4000120.5
304N30.8Very low32.6Very low156 Ų156126.8 Ų126.883%0.83466%0.662SS**  trans62.592.3168.7-62.6-5.3000118.4
305R29.5Very low32.4Very low229 Ų229126.6 Ų126.686%0.86466%0.66SS**  trans-99.492.7172.7-170.5-179.6-168.2155.36.3111.1
306T34.4Very low32.1Very low101 Ų101121.2 Ų121.262%0.6264%0.638SS**  trans-89.2115.8170.839.10000111.1Y308T306-Y308 WeakPolarHBondContact O-CD2 3.41Å; T306-Y308 PolarHBondContact O-N 3.18Å
307D30.4Very low31.8Very low130 Ų130120.4 Ų120.470%0.69564%0.643SS**  trans-77.280.9-176.3-67.1-42.2000112.6S309D307-S309 PolarHBondContact O-N 2.87Å; D307-S309 PolarHBondContact O-OG 2.96Å
308Y31Very low31.3Very low177 Ų177116.8 Ų116.869%0.69463%0.628SS**  trans-63100.3172-79.2-86.1000111.3N206 T306N206-Y308 PolarHBondContact ND2-OH 3.31Å; T306-Y308 WeakPolarHBondContact O-CD2 3.41Å; T306-Y308 PolarHBondContact O-N 3.18Å
309S30Very low30.9Very low92 Ų92113.3 Ų113.364%0.64362%0.615SS**  trans-80146.5-178.7-64.90000112.4D307 S311D307-S309 PolarHBondContact O-N 2.87Å; D307-S309 PolarHBondContact O-OG 2.96Å; S309-S311 PolarHBondContact O-N 2.68Å
310T33.5Very low30.5Very low123 Ų123114 Ų11476%0.75561%0.614SS**THydrogen-bonded Turntrans-7313.5-169.741.60000116.3
311S30.9Very low30.1Very low89 Ų89114.7 Ų114.762%0.62262%0.623SS**Hα-helixtrans-72.5-31.8-173.654.70000114.5S309 V313 Y314 S315S309-S311 PolarHBondContact O-N 2.68Å; S311-V313 VanDerWaalsContact C-N 3.26Å; S311-V313 PolarHBondContact O-N 2.75Å; S311-Y314 PolarHBondContact O-N 2.9Å; S311-Y314 VanDerWaalsContact O-N 3.12Å; S311-S315 PolarHBondContact O-N 3.36Å
312S31.5Very low30Very low49 Ų49108.8 Ų108.834%0.34361%0.613SS.*Hα-helixtrans-58.8-36.9179.355.50000112.6Y314 S315 L316S312-Y314 VanDerWaalsContact C-N 3.28Å; S312-Y314 PolarHBondContact O-N 3.47Å; S312-S315 VanDerWaalsContact O-CB 3.3Å; S312-S315 WeakPolarHBondContact O-CB 3.28Å; S312-S315 PolarHBondContact O-N 2.89Å; S312-L316 PolarHBondContact O-N 2.84Å
313V32.3Very low29.9Very low61 Ų61113.3 Ų113.337%0.3762%0.623SS.*Hα-helixtrans-66.4-29.3179.9-176.50000112.4S311S311-V313 VanDerWaalsContact C-N 3.26Å; S311-V313 PolarHBondContact O-N 2.75Å
314Y27.4Very low29.7Very low174 Ų174110.4 Ų110.468%0.68262%0.619SS**Hα-helixtrans-81.8-28.7170.4-95.7-87.3000112.5S311 S312 L316 C317 C318S311-Y314 PolarHBondContact O-N 2.9Å; S311-Y314 VanDerWaalsContact O-N 3.12Å; S312-Y314 VanDerWaalsContact C-N 3.28Å; S312-Y314 PolarHBondContact O-N 3.47Å; Y314-L316 PolarHBondContact O-N 3.15Å; Y314-C317 PolarHBondContact O-N 2.92Å; Y314-C318 HydrophobicContact CD1-CB 4.1Å; Y314-C318 WeakPolarHBondContact O-CA 3.46Å; Y314-C318 WeakPolarHBondContact O-CB 3.5Å; Y314-C318 PolarHBondContact O-N 2.69Å
315S32.6Very low29.5Very low63 Ų63106.4 Ų106.444%0.44160%0.603SS.*Hα-helixtrans-58.2-46.3178.4-167.50000112.7S311 S312 C317 S319S311-S315 PolarHBondContact O-N 3.36Å; S312-S315 VanDerWaalsContact O-CB 3.3Å; S312-S315 WeakPolarHBondContact O-CB 3.28Å; S312-S315 PolarHBondContact O-N 2.89Å; S315-C317 VanDerWaalsContact C-N 3.3Å; S315-C317 PolarHBondContact O-N 3.07Å; S315-S319 WeakPolarHBondContact O-CB 3.29Å; S315-S319 PolarHBondContact O-N 2.71Å; S315-S319 PolarHBondContact O-OG 3.16Å
316L33.8Very low29.3Very low34 Ų3499.8 Ų99.818%0.17859%0.585CS.*Hα-helixtrans-64.4-29.9179.7-80.4117.8000114.4M209 E213 L282 S312 Y314M209-L316 HydrophobicContact CE-CD1 3.4Å; M209-L316 VanDerWaalsContact CE-CD1 3.4Å; E213-L316 HydrophobicContact CG-CD1 3.97Å; E213-L316 HydrophobicContact CG-CD2 4.07Å; E213-L316 HydrophobicContact CG-CG 4.16Å; E213-L316 WeakPolarHBondContact OE1-CD1 3.48Å; L282-L316 HydrophobicContact CD1-CD1 4.13Å; S312-L316 PolarHBondContact O-N 2.84Å; Y314-L316 PolarHBondContact O-N 3.15Å
317C30.5Very low29Very low89 Ų8998.6 Ų98.660%0.60159%0.586SS**Hα-helixtrans-102.5-22.5-175.1-630000113.9Y314 S315Y314-C317 PolarHBondContact O-N 2.92Å; S315-C317 VanDerWaalsContact C-N 3.3Å; S315-C317 PolarHBondContact O-N 3.07Å
318C28.3Very low28.8Very low66 Ų66100.3 Ų100.345%0.44660%0.595SS.*Hα-helixtrans-140.523.4-166.5-54.90000113.8Y314 E320Y314-C318 HydrophobicContact CD1-CB 4.1Å; Y314-C318 WeakPolarHBondContact O-CA 3.46Å; Y314-C318 WeakPolarHBondContact O-CB 3.5Å; Y314-C318 PolarHBondContact O-N 2.69Å; C318-E320 PolarHBondContact O-N 2.86Å
319S26.5Very low28.6Very low60 Ų6098.6 Ų98.642%0.4259%0.593SS.*THydrogen-bonded Turntrans-73.760.8172.645.50000113S315S315-S319 WeakPolarHBondContact O-CB 3.29Å; S315-S319 PolarHBondContact O-N 2.71Å; S315-S319 PolarHBondContact O-OG 3.16Å
320E27.8Very low28.4Very low151 Ų151103.8 Ų103.871%0.70660%0.604SS**THydrogen-bonded Turntrans-81.7-23.3169.8-65.4-178.812500111.3C318 G322 A324C318-E320 PolarHBondContact O-N 2.86Å; E320-G322 VanDerWaalsContact C-N 3.31Å; E320-G322 PolarHBondContact O-N 3.23Å; E320-A324 HydrophobicContact CB-CB 4.3Å; E320-A324 WeakPolarHBondContact O-CB 3.44Å; E320-A324 PolarHBondContact O-N 3.15Å
321S25.2Very low28Very low119 Ų119104.8 Ų104.883%0.83260%0.604SS**THydrogen-bonded Turntrans-68.176.1176.362.30000113.1
322G25.8Very low27.7Very low64 Ų64106.3 Ų106.366%0.6661%0.61SS**THydrogen-bonded Turntrans169.3-26.6174.600000115.3E320E320-G322 VanDerWaalsContact C-N 3.31Å; E320-G322 PolarHBondContact O-N 3.23Å
323F27.9Very low27.3Very low210 Ų210109.6 Ų109.692%0.92163%0.632SS**THydrogen-bonded Turntrans-139.812.3179.2-81.9-84.3000113.7S325F323-S325 PolarHBondContact O-N 3.42Å
324A24.1Very low26.9Very low82 Ų82115.2 Ų115.268%0.67865%0.654SS**  trans-84.982.717900000113E320E320-A324 HydrophobicContact CB-CB 4.3Å; E320-A324 WeakPolarHBondContact O-CB 3.44Å; E320-A324 PolarHBondContact O-N 3.15Å
325S25.3Very low26.8Very low71 Ų71112.8 Ų112.850%0.49766%0.662SS.*SBendtrans-149.2137.3156.6147.80000108.8F323F323-S325 PolarHBondContact O-N 3.42Å
326D27.1Very low26.4Very low91 Ų91115 Ų11549%0.48767%0.673SS.*SBendtrans61.954.1169.5-54.68000116M1 A2M1-D326 VanDerWaalsContact C-OD2 3.29Å; M1-D326 WeakPolarHBondContact CA-OD2 3.44Å; M1-D326 VanDerWaalsContact N-CG 3.35Å; M1-D326 PolarHBondContact N-OD2 3.4Å; A2-D326 PolarHBondContact N-OD2 2.96Å
327A27.8Very low26Very low76 Ų76119.9 Ų119.963%0.62870%0.699SS**  trans-126.918.9164.100000113.5Q329A327-Q329 PolarHBondContact O-N 3.28Å
328D25.5Very low25.7Very low165 Ų165126.4 Ų126.488%0.88271%0.711SS**  trans-72.662.3178.5-77.6-44.6000113.1
329Q27.9Very low25.5Very low141 Ų141133.3 Ų133.366%0.65973%0.734SS**  trans-150.231.3169.4-118.6-176.9100.900113D4 A327 L331D4-Q329 PolarHBondContact OD2-NE2 3.05Å; A327-Q329 PolarHBondContact O-N 3.28Å; Q329-L331 PolarHBondContact O-N 3.45Å
330F24.3Very low25.5Very low202 Ų202137.7 Ų137.789%0.88675%0.748SS**  trans-72.268.6170.9-103.2-80.8000112.2
331L25.2Very low25.3Very low143 Ų143133.9 Ų133.975%0.74974%0.738SS**  trans-123.8124.6172.8-89.5170.7000112.1Q329Q329-L331 PolarHBondContact O-N 3.45Å
332T24.2Very low25.4Very low122 Ų122135.2 Ų135.275%0.74873%0.729SS**  trans58.189.7157.855.70000118.4
333C24Very low25.5Very low118 Ų118139.5 Ų139.580%0.79774%0.737SS**  -108.8136.8129.5-80.80000108.4S335C333-S335 PolarHBondContact O-N 2.82Å
334Q23.8Very low25.3Very low179 Ų179140.3 Ų140.384%0.83673%0.734SS**  trans-85.6108.4-176.7-68.2175.1-25.500110.5T336Q334-T336 PolarHBondContact O-N 3.3Å
335S24.7Very low25.4Very low123 Ų123145.6 Ų145.686%0.8674%0.741SS**  trans-76.7104.3152.644.30000108.5C333C333-S335 PolarHBondContact O-N 2.82Å
336T24.3Very low25.4Very low108 Ų108146 Ų14666%0.66374%0.744SS**  trans-69.1161169.641.80000111.4Q334Q334-T336 PolarHBondContact O-N 3.3Å
337D26.8Very low25.2Very low137 Ų137150.4 Ų150.473%0.73376%0.76SS**  trans71.474.3168-58.2-36.7000118.5
338R23.9Very low25Very low226 Ų226151.4 Ų151.485%0.85376%0.762SS**  38.7119.6114.3-67.2171.8160.5-177.1-5.8117.9
339F24.2Very low25Very low212 Ų212148.2 Ų148.293%0.9375%0.753SS**  -145.8117.4123.2-109.6-78.1000110.7
340E25Very low24.9Very low152 Ų152147.4 Ų147.471%0.7176%0.757SS**  trans-127.9118173.7-106.8-154.6171.700109.9K342E340-K342 VanDerWaalsContact OE2-CE 3.32Å; E340-K342 WeakPolarHBondContact OE2-CE 3.49Å; E340-K342 IonicContact OE2-NZ 3.43Å; E340-K342 PolarHBondContact OE2-NZ 2.88Å
341S25.3Very low24.8Very low71 Ų71144.1 Ų144.150%0.49775%0.748SS.*  trans-148.9121.1144.544.40000107.6N452S341-N452 WeakPolarHBondContact CB-OD1 3.45Å; S341-N452 PolarHBondContact OG-OD1 3.38Å
342K25.6Very low24.9Very low147 Ų147142.8 Ų142.864%0.63974%0.742SS**  74.410653.5-68.3174.4-179.5159.20113.5E340E340-K342 VanDerWaalsContact OE2-CE 3.32Å; E340-K342 WeakPolarHBondContact OE2-CE 3.49Å; E340-K342 IonicContact OE2-NZ 3.43Å; E340-K342 PolarHBondContact OE2-NZ 2.88Å
343N28Very low24.8Very low153 Ų153143.1 Ų143.182%0.81874%0.739SS**  -158.9155.3107.6-104.5-53.3000114.7
344R24Very low24.9Very low228 Ų228144.7 Ų144.786%0.8674%0.738SS**  trans-108.4150.6174-67.8172170.2162.6-4.8110.3
345K27.7Very low24.9Very low193 Ų193146.8 Ų146.884%0.83974%0.739SS**  trans-178.1122.1141.3-93.7141.1-172.4177.40107.5
346S24Very low24.8Very low80 Ų80144.5 Ų144.556%0.55972%0.723SS**  cis102.7148.933.969.90000112.4
347F23.5Very low24.8Very low183 Ų183147.2 Ų147.280%0.80373%0.728SS**  trans72.8122.9-170-48.4-74.6000112.2
348S23.9Very low24.7Very low96 Ų96145.5 Ų145.567%0.67173%0.726SS**  cis72.8143.538.399.50000112.1
349S24.6Very low24.7Very low99 Ų99139 Ų13969%0.69272%0.716SS**  cis-169.3-167.19.517.90000109.4
350V25.2Very low24.7Very low124 Ų124135 Ų13575%0.75270%0.704SS**  trans90.583.9156.4-166.10000117.2
351N23.9Very low24.6Very low132 Ų132132.7 Ų132.771%0.70670%0.704SS**  65.5147.8111.8-9540.2000124.8
352D25.5Very low24.5Very low115 Ų115136.5 Ų136.562%0.61572%0.718SS**  trans81.492137.7-64.2-26.6000123.2
353N23.6Very low24.3Very low130 Ų130139.6 Ų139.670%0.69573%0.725SS**  77.9165.3115.7-61.3-39.4000121.2
354I24.9Very low24.2Very low151 Ų151138 Ų13877%0.77472%0.721SS**  trans75.7107.2164.1-66.5144.9000113.4
355R23.3Very low24.1Very low223 Ų223131 Ų13184%0.84271%0.708SS**  72.2127.867177.2-166.4-175.2-174.34.3110.6
356S23.3Very low24Very low75 Ų75128.8 Ų128.852%0.52470%0.704SS.*  cis-168.9-170.41.644.60000110.3
357Q25Very low24.1Very low165 Ų165130 Ų13077%0.77171%0.709SS**  trans75.4122.1161.9-70.8155.3-49.400114
358S23.5Very low24.1Very low100 Ų100128 Ų12870%0.69971%0.707SS**  70.8135.359.882.50000112.4
359S24.2Very low24.3Very low90 Ų90129 Ų12963%0.62971%0.714SS**  cis-168.7-171.7-3.837.30000108.9
360D24.2Very low24.4Very low127 Ų127131.1 Ų131.168%0.67972%0.717SS**  trans74.8107.1151.4-58.4-53.1000121.3
361C22.7Very low24.6Very low105 Ų105132.3 Ų132.371%0.70972%0.719SS**  72154.3114.7-62.40000122.3
362L23.3Very low24.6Very low151 Ų151131.1 Ų131.179%0.79172%0.721SS**  trans68.9147.9161.2-63.3151000116.8
363W22.9Very low24.7Very low212 Ų212134.5 Ų134.580%0.80373%0.734SS**  cis-179.3162.4-32.6-122.946.1000105.5
364T24Very low24.7Very low119 Ų119133 Ų13373%0.7374%0.739SS**  trans60.8158.716147.80000118.8
365S23Very low24.9Very low82 Ų82133 Ų13357%0.57374%0.739SS**  cis-177.9151.6-32.655.30000108.4
366N24.9Very low25Very low145 Ų145127.2 Ų127.278%0.77573%0.733SS**  trans67.4154.2158.7-59.70.1000115.1
367T25.6Very low25.3Very low105 Ų105131.3 Ų131.364%0.64475%0.749SS**  cis-157.7164.3-9.511.10000107.7
368D24.9Very low25.3Very low143 Ų143128.3 Ų128.377%0.76575%0.746SS**  trans31.9129.4146.2-39.8-27.2000118.6
369S28.8Very low25.6Very low117 Ų117129.6 Ų129.682%0.81875%0.752SS**  -172.2-16860.844.60000112.3
370N25.8Very low25.8Very low143 Ų143130.7 Ų130.777%0.76576%0.76SS**  trans-82.2-170-166.8-60.5-39.5000114.3
371D28.7Very low26Very low148 Ų148128.1 Ų128.179%0.79176%0.763SS**  trans89.697.7154-54.5-28000117.1
372S24.4Very low26.2Very low108 Ų108130.1 Ų130.176%0.75577%0.766SS**  trans-2.9125.6142.254.40000118
373E28.2Very low26.5Very low186 Ų186132 Ų13287%0.86977%0.768SS**  -157.6164.7111.1-114.4175.8-178.600111.4
374A24.1Very low26.7Very low98 Ų98130.6 Ų130.681%0.8177%0.77SS**  trans-96115.5-179.200000111.1
375I28Very low26.9Very low151 Ų151128.2 Ų128.277%0.77477%0.769SS**  trans-125.2131.8156.8-79.993.8000108.6
376S25.1Very low27Very low101 Ų101129.4 Ų129.471%0.70677%0.768SS**  trans-77.5143.6169.454.30000111.1
377D29.5Very low27Very low161 Ų161132.8 Ų132.886%0.86177%0.771SS**  trans-148.1146.9138.8-108.3-33.1000111.3
378S26.2Very low27.1Very low103 Ų103134.7 Ų134.772%0.7278%0.778SS**  trans-127.5162.8178.6-67.30000109.6
379P30.3Very low27.2Very low127 Ų127139.6 Ų139.683%0.82579%0.786SS**  -131.3106.6126.28.512.8000113.4
380S27.3Very low27.1Very low113 Ų113139 Ų13979%0.7978%0.778SS**  trans22126.7131.557.80000119.8
381G27.4Very low27.2Very low73 Ų73138.1 Ų138.175%0.75378%0.779SS**  trans-154.26.5179.600000120.9
382L27.8Very low27.1Very low147 Ų147136.8 Ų136.877%0.7778%0.777SS**  trans53.4139163-56.3177.8000119.2
383F29.3Very low27.3Very low190 Ų190140.5 Ų140.583%0.83378%0.779SS**  cis-142.2154.35.8-116.1-64.6000110.5
384H28.3Very low27.1Very low182 Ų182139.1 Ų139.184%0.84378%0.777SS**  trans-112155.1174.5-120.8-80.8000110.8
385G26.4Very low27.2Very low69 Ų69141.5 Ų141.571%0.71178%0.781SS**  trans142.6126.5172.100000110.5
386I25.3Very low27Very low108 Ų108138.6 Ų138.655%0.55477%0.774SS**SBendcis-119.111614.3-61.5152.9000110.2E432I386-E432 HydrophobicContact CD1-CB 4.42Å; I386-E432 WeakPolarHBondContact CD1-OE2 3.33Å
387Y25.5Very low27Very low215 Ų215139.3 Ų139.384%0.84378%0.779SS**  trans-164.487.6159.1-100.7-68.8000108.6
388D27.6Very low26.8Very low145 Ų145136 Ų13678%0.77577%0.768SS**  trans-156.299.5168.4-132.2-28.3000113.5
389R26.9Very low26.8Very low246 Ų246137.1 Ų137.193%0.92877%0.771SS**  trans-15464.4156.5-115-179.5-169.7-170.54111
390T27.9Very low26.5Very low106 Ų106137.5 Ų137.565%0.6576%0.762SS**  trans22.1113.3142.2340000119
391P26.5Very low26.4Very low124 Ų124141.2 Ų141.281%0.80576%0.759SS**  trans-83.5149.8160.734.6-32.8000111.3
392T28.1Very low26.4Very low119 Ų119145 Ų14573%0.7376%0.762SS**  trans-163.6135.9164-5.70000115.1
393K27.6Very low26.4Very low187 Ų187141.3 Ų141.381%0.81376%0.759SS**  trans64.5125163.8-60.6173.6-176.9177.40116.6
394L23.7Very low26.3Very low156 Ų156142 Ų14282%0.81776%0.762SS**  cis65.9100.248.7-68.4165.5000115
395V26.7Very low26.3Very low149 Ų149137 Ų13790%0.90375%0.748SS**  -143.1148.8122.5175.80000107.7
396S24.1Very low26.5Very low89 Ų89140.4 Ų140.462%0.62275%0.75SS**  trans-96.7169.4-173.5-41.80000113.4
397S24.9Very low26.8Very low117 Ų117141.3 Ų141.382%0.81876%0.756SS**  trans63.5160.2154.6610000117.7
398S24Very low27Very low90 Ų90136.8 Ų136.863%0.62975%0.746SS**  cis-172158-27.152.60000107.3
399T26.5Very low27.1Very low128 Ų128136.1 Ų136.179%0.78574%0.743SS**  trans60.7155.3168.752.40000115.8
400E25.4Very low27.3Very low135 Ų135130.4 Ų130.463%0.63173%0.73SS**  cis-149.7156.9-11.9-130.6-171.5137.700111.1
401R24.6Very low27.3Very low190 Ų190131.5 Ų131.572%0.71773%0.732SS**  trans25.4138.5141.5-83.4-175.5176.5133.7-10.5123.6
402N26.8Very low27.6Very low153 Ų153134.7 Ų134.782%0.81873%0.734SS**  trans82.4147.1135.9-63-9.3000120.6
403G28.6Very low27.5Very low70 Ų70134.5 Ų134.572%0.72273%0.732SS**  trans110.4107.1-17300000109.4
404K27.1Very low27.7Very low203 Ų203133.2 Ų133.288%0.88373%0.734SS**  cis54131.243.1-66.4-166.3176.2-1700113.5
405S27.4Very low27.9Very low79 Ų79134.7 Ų134.755%0.55273%0.734SS**  cis-168.2173.7-11.143.90000108.7
406D30.2Very low27.9Very low139 Ų139138.2 Ų138.274%0.74373%0.733SS**  trans68.7159.8161.4-35.1-48.1000114.6
407D33Very low28.1Very low128 Ų128142.7 Ų142.768%0.68474%0.741SS**  cis-151.6152.3-3-142.512.4000112.1
408N29.5Very low28.1Very low120 Ų120145.7 Ų145.764%0.64274%0.736SS**  trans28.5132.7149.9-60.9-37.1000123.9
409D29.9Very low28Very low131 Ų131151.3 Ų151.370%0.70175%0.749SS**  94.1129.7121.9-83.914.3000125.9
410N29.8Very low27.9Very low125 Ų125149.5 Ų149.567%0.66875%0.747SS**  trans75.8111.6136-66.2-35.6000122.8
411D29.3Very low27.8Very low130 Ų130152.4 Ų152.470%0.69576%0.757SS**  49.2106.9126.5-77.2-2.4000120.6
412K31.7Very low27.7Very low191 Ų191152.1 Ų152.183%0.8376%0.764SS**  -167127.595.2-100.3139.3-159.81390116.7
413T27.5Very low27.5Very low115 Ų115149.9 Ų149.971%0.70676%0.761SS**  trans-14.7136.9149.254.50000118.5
414N30.5Very low27.3Very low160 Ų160155.9 Ų155.986%0.85677%0.767SS**  trans-141.7129.8145-107.8-40.4000110.3
415K27.4Very low27.1Very low186 Ų186156.5 Ų156.581%0.80977%0.765SS**  trans-108.8120.2-173.4-77.2-176.4175.2-178.90112.3
416Y27.8Very low27Very low224 Ų224156.5 Ų156.588%0.87876%0.764SS**  trans-145.9108.1155.3-68-81.2000106.5
417K28.8Very low26.7Very low182 Ų182159.9 Ų159.979%0.79177%0.772SS**  cis87.592.240.1-158.9178.5-173.9172.30113.6
418Y23.3Very low26.2Very low181 Ų181160.4 Ų160.471%0.7178%0.775SS**  trans40.1128.8155.3-70.3-99.8000120.4
419F24Very low25.9Very low208 Ų208161.7 Ų161.791%0.91278%0.78SS**  -171.7173.197.6-103.7-70.4000111.6
420A22.9Very low25.5Very low89 Ų89160.6 Ų160.674%0.73678%0.781SS**  trans-105.1136.9-167.600000114.3
421K23.5Very low25.2Very low196 Ų196162.3 Ų162.385%0.85279%0.79SS**  trans176.5161140.5-102.3167.6-177178.70112.2
422Q22.9Very low24.9Very low185 Ų185162.5 Ų162.586%0.86479%0.786SS**  trans-26.6128.8170.3-58.3159.7-53.400117
423S22.8Very low24.5Very low106 Ų106163 Ų16374%0.74179%0.792SS**  trans-166.4161.6136.955.90000113.2
424K23.3Very low24.4Very low195 Ų195162.6 Ų162.685%0.84879%0.789SS**  trans-70.8149.8179.1-54.6166.7174.6-178.40112.1
425Y23.4Very low24.2Very low216 Ų216161.7 Ų161.785%0.84778%0.784SS**  trans-140.1151.4152.9-85.8-72.9000108.8
426P25.6Very low24.1Very low80 Ų80157.7 Ų157.752%0.51978%0.78SS.*  -130.4163.1-111.439.4-25.5000115.6
427F23.3Very low23.9Very low209 Ų209154.1 Ų154.192%0.91778%0.775SS**  trans-133.475.5157.4-80-76.7000108.7I429F427-I429 PolarHBondContact O-N 3.06Å
428D23.1Very low23.8Very low139 Ų139152.7 Ų152.774%0.74377%0.771SS**  trans-79.3109.2168.3-68.4-53.9000108.8
429I22.5Very low23.9Very low147 Ų147153.1 Ų153.175%0.75477%0.773SS**  trans-100.5104.2158.8-63.7180000106.2F427 L431F427-I429 PolarHBondContact O-N 3.06Å; I429-L431 PolarHBondContact O-N 2.94Å
430C22Very low23.9Very low108 Ų108151 Ų15173%0.7376%0.764SS**  trans-69.6128.6-178.8-59.60000111.4
431L23.9Very low24Very low162 Ų162152.4 Ų152.485%0.84876%0.759SS**  trans-121.1125.7148-87.1166.5000107.2I429I429-L431 PolarHBondContact O-N 2.94Å
432E22.5Very low24Very low133 Ų133153 Ų15362%0.62176%0.756SS**  trans-78.6132.4-167.1-61.6177.9106.600112.5I386I386-E432 HydrophobicContact CD1-CB 4.42Å; I386-E432 WeakPolarHBondContact CD1-OE2 3.33Å
433Q24.4Very low24.1Very low202 Ų202150.5 Ų150.594%0.94475%0.748SS**  trans-136.9122.4141.8-94.2-171.6-2.700109.6
434T24.2Very low24.1Very low107 Ų107152 Ų15266%0.65675%0.748SS**  trans-96.9121.1-172.543.70000111.4
435N25.6Very low24Very low140 Ų140149.4 Ų149.475%0.74974%0.743SS**  165.9145.3105.7-86.2-55000113.6
436S26.1Very low23.9Very low103 Ų103147.4 Ų147.472%0.7274%0.738SS**  trans52121.3154.950.20000119.8
437L24.3Very low23.7Very low148 Ų148152 Ų15278%0.77576%0.755SS**  63131.882.7-104.467.8000113.4
438E27.1Very low23.7Very low152 Ų152150.8 Ų150.871%0.7175%0.752SS**  cis-158.8146.410.4-153.8161.7-137.100113.3
439Y24.9Very low23.6Very low190 Ų190149.8 Ų149.875%0.74575%0.75SS**  trans44.2118.1148.9-86.3-124.5000124
440F23.8Very low23.7Very low164 Ų164147.3 Ų147.372%0.71975%0.752SS**  92.8132121.3-99.3-122.8000124.1
441N25.5Very low23.8Very low118 Ų118148.5 Ų148.563%0.63175%0.751SS**  trans83.1103140.2-105.9-12000122
442R23.1Very low23.8Very low208 Ų208145.3 Ų145.379%0.78574%0.735SS**  63.9124.5121.3-85.1-176.4177.3-176.9-1.3120.9
443N23.7Very low23.9Very low133 Ų133146.8 Ų146.871%0.71174%0.742SS**  trans88.2142.5144.9-56.4-8.7000118.2
444N24.1Very low24.1Very low138 Ų138142.7 Ų142.774%0.73873%0.726SS**  trans76.9101.1157.5-58.8-22.3000119.9
445L21.8Very low24.1Very low141 Ų141146 Ų14674%0.73874%0.739SS**  trans68.5145.4132.3-85.287.4000121.2
446K21.3Very low24.1Very low173 Ų173142.3 Ų142.375%0.75273%0.734SS**  trans67.888.6155.3-68.4170.4179.7-178.90117.5H448K446-H448 PolarHBondContact O-N 3.35Å
447M19.8Very low24Very low177 Ų177146.9 Ų146.987%0.87274%0.741SS**  14.9105.4114.2-174.8-175.1-169.200115.4
448H23.2Very low24Very low184 Ų184145.8 Ų145.885%0.85274%0.741SS**  trans-139.9131.4154.2-114-85000108.8K446K446-H448 PolarHBondContact O-N 3.35Å
449V21.6Very low23.8Very low117 Ų117149.5 Ų149.571%0.70975%0.749SS**  trans-87.6138.5171.11770000108.1
450A24.6Very low23.8Very low96 Ų96145.5 Ų145.579%0.79375%0.75SS**  trans-146.7142.5167.100000108.6
451D23.6Very low23.8Very low132 Ų132148 Ų14871%0.70675%0.754SS**  trans-95.9163-165-50.6-91.1000114.5
452N23.5Very low23.7Very low95 Ų95151 Ų15151%0.50876%0.762SS.*  trans46.8129.7151.4-56.3-40.2000118.8S341S341-N452 WeakPolarHBondContact CB-OD1 3.45Å; S341-N452 PolarHBondContact OG-OD1 3.38Å
453H26Very low23.8Very low165 Ų165150.8 Ų150.876%0.76477%0.769SS**  -161.7168.675.5-105-69.7000115.8
454D27.2Very low23.9Very low115 Ų115149.8 Ų149.862%0.61577%0.773SS**  trans-62.8159.1-173.2-40.9-109.3000115.7
455L25.6Very low24Very low177 Ų177148.4 Ų148.493%0.92777%0.774SS**  -159.4127.5120.7-108.4169.7000110.3
456G24.2Very low24.5Very low62 Ų62148.8 Ų148.864%0.63978%0.777SS**  trans-132.7128.2-175.100000114
457F24Very low25Very low199 Ų199146 Ų14687%0.87378%0.78SS**  trans-154144.6161.1-92.4-86.3000104.8
458V25.2Very low25.6Very low126 Ų126141 Ų14176%0.76477%0.773SS**  cis-131.8134.822.9174.30000110.6
459Y23.2Very low25.9Very low229 Ų229140.1 Ų140.190%0.89877%0.773SS**  trans-146.996.7165.2-152.3-78.1000110.1
460S24.6Very low26.2Very low107 Ų107143.3 Ų143.375%0.74878%0.778SS**  trans172.6109.4157.934.60000113.2
461R23.3Very low26.5Very low216 Ų216149.6 Ų149.682%0.81578%0.781SS**  trans-161.4137.5134.5-121.8171.6169.5137.6-0.1112.8
462F24.6Very low26.7Very low180 Ų180152.2 Ų152.279%0.78979%0.786SS**  trans64.977.6165.7-55.4-60.4000119.2
463H25.3Very low26.9Very low204 Ų204152.4 Ų152.494%0.94479%0.794SS**  trans-121.1122.2139.9-102-60000109.6
464S25.2Very low27Very low113 Ų113149 Ų14979%0.7979%0.789SS**  trans-173.2147.3161.1105.90000106
465S26.7Very low27.1Very low109 Ų109149.4 Ų149.476%0.76280%0.801SS**  cis-158.2-179.5-2.5-61.20000107.5
466D30.6Very low27.2Very low149 Ų149144.9 Ų144.980%0.79779%0.788SS**  -157.6-164.1-56.3-158.5-24.5000107.4
467S33.4Very low27.3Very low115 Ų115148.5 Ų148.580%0.80479%0.793SS**  trans-124179.3-14357.70000118.6
468G30.8Very low27.4Very low71 Ų71149.7 Ų149.773%0.73279%0.792SS**  trans178.6165.2167.800000112.1
469L29.4Very low27.3Very low165 Ų165151.8 Ų151.886%0.86480%0.797SS**  cis-140.3-140.2-9.7-122.6175.5000112.7
470K29.8Very low27.2Very low184 Ų184151.3 Ų151.380%0.879%0.794SS**  trans-171.4161.8-149.9-142.9162.1-173.8164.10120.1
471R30.5Very low27.4Very low228 Ų228149.4 Ų149.486%0.8677%0.774SS**  trans133.3163.3155.4-73.5153.2-167.6-166.72.6111.2
472K28.3Very low27.5Very low188 Ų188145.2 Ų145.282%0.81777%0.773SS**  cis-171.6-178.7-12.6-110.4-162.9162.2-169.50107.3
473C27Very low27.5Very low98 Ų98140.1 Ų140.166%0.66276%0.76SS**  cis-176.1172.8-22.2-109.80000107.6
474S27Very low27.6Very low95 Ų95141.2 Ų141.266%0.66476%0.756SS**  cis177150.9-44.856.20000113
475S29.6Very low27.7Very low123 Ų123140.6 Ų140.686%0.8675%0.752SS**  trans86.4157.3162.5830000120.9
476A27.5Very low27.6Very low81 Ų81139.2 Ų139.267%0.66976%0.755SS**  cis-175.6164-27.900000115.9
477N27.7Very low27.3Very low138 Ų138140.8 Ų140.874%0.73876%0.757SS**  trans96.1108.2148.7-73.6-45.2000127.1
478R25Very low27.1Very low225 Ų225142.2 Ų142.285%0.84976%0.756SS**  56.2135.8122.4-65.6179169.5-173.4-1.6126
479I23.2Very low26.7Very low169 Ų169144.5 Ų144.587%0.86775%0.75SS**  -177.8174.4117.6-93.4164.4000112.8
480R21.9Very low26.4Very low220 Ų220145.6 Ų145.683%0.8375%0.748SS**  trans-106.6177.4-160.2-77.8177.9167.3168.4-6.7117.5
481L29.3Very low26.1Very low66 Ų66146.7 Ų146.735%0.34675%0.753SS.*  trans-133.9171.9-172.276.9-46.9000117.1V735L481-V735 HydrophobicContact CD1-CG1 3.97Å
482T24.5Very low25.8Very low128 Ų128143.4 Ų143.479%0.78575%0.749SS**  trans-165.1169.9170.434.10000110.3
483S25.7Very low25.7Very low74 Ų74140.2 Ų140.252%0.51775%0.748SS.*  cis-179.3149.6-3159.80000112.3
484W25.7Very low25.6Very low226 Ų226140.1 Ų140.186%0.85674%0.744SS**  trans71.4156.3157.5-6927.4000120
485S27Very low25.4Very low101 Ų101139.2 Ų139.271%0.70675%0.749SS**  cis-175147.1-18.855.40000114.5
486G24.8Very low25Very low80 Ų80140.8 Ų140.883%0.82575%0.747SS**  trans79.7159.4156.300000118.9
487E25.1Very low25Very low182 Ų182146 Ų14685%0.8575%0.754SS**  cis-160.5-169.8-16.6-163.7152.7-145.900109.6
488D28.7Very low24.8Very low145 Ų145144.8 Ų144.878%0.77576%0.757SS**  trans74.5153.5176.6-73.3-20.6000121.1
489I22.7Very low24.8Very low119 Ų119138.6 Ų138.661%0.6175%0.748SS**  -163.8151.3-69.5-103.4168.9000112.8
490F23.1Very low24.9Very low187 Ų187139.8 Ų139.882%0.8275%0.747SS**  trans59.2101.4167.4-68.8-46.1000122.9
491K23.8Very low25.2Very low208 Ų208136.9 Ų136.990%0.90475%0.748SS**  165125.9108.9-91.9170.5-177.1176.30113.6
492M24Very low25.1Very low158 Ų158141.7 Ų141.778%0.77877%0.768SS**  trans-163158.4173-157.4163.7152.100110.5V494M492-V494 HydrophobicContact CE-CG2 3.76Å; M492-V494 HydrophobicContact CG-CG2 4.07Å; M492-V494 HydrophobicContact SD-CG2 4.18Å
493P26.8Very low25.2Very low122 Ų122145.7 Ų145.779%0.79278%0.775SS**  -133.6141.4109.637.6-28.6000111.2
494V23.9Very low25.2Very low96 Ų96153.3 Ų153.358%0.58279%0.792SS**  cis71.5117.247.5-176.90000112.6M492 F497M492-V494 HydrophobicContact CE-CG2 3.76Å; M492-V494 HydrophobicContact CG-CG2 4.07Å; M492-V494 HydrophobicContact SD-CG2 4.18Å; V494-F497 HydrophobicContact CG1-CE2 4.21Å
495G23.4Very low25.1Very low75 Ų75150.8 Ų150.877%0.77379%0.789SS**  trans-169.116.3-179.700000116
496I22.3Very low24.9Very low157 Ų157153.7 Ų153.781%0.80579%0.792SS**  trans-107.9123.7173-59.6172.5000107.8
497F25.5Very low24.7Very low190 Ų190159.2 Ų159.283%0.83379%0.793SS**  trans-141.9134.3163.6-85.3-72.8000111.9V494V494-F497 HydrophobicContact CG1-CE2 4.21Å
498S23.8Very low24.6Very low112 Ų112157.7 Ų157.778%0.78379%0.79SS**  trans-128.5173.4171.4-179.70000108.2
499S25.7Very low24.2Very low95 Ų95155.4 Ų155.466%0.66479%0.791SS**  trans72.3109.8172-172.90000118.1
500K24.9Very low24.2Very low194 Ų194156 Ų15684%0.84380%0.801SS**  trans34.7127.3133.3-57.7173.9178.6174.80119.3
501D28.2Very low24.1Very low160 Ų160153.7 Ų153.786%0.85681%0.806SS**  -148.6168.5122.4-143.2-23.5000112.3
502H28.5Very low24.1Very low167 Ų167147 Ų14777%0.77380%0.796SS**  trans-112.8137.7-177.7-85.92.7000112.9
503K26Very low24Very low212 Ų212146 Ų14692%0.92280%0.798SS**  -174.2144.2125.1-98.9144.9-167.3164.30113.3
504R24.6Very low23.8Very low233 Ų233145.1 Ų145.188%0.87980%0.795SS**  trans-68.1151.2164.2-64.4171.1169.5170.2-4.9109.9
505H25Very low23.9Very low173 Ų173146.2 Ų146.280%0.80181%0.807SS**  -157.7128.1125.6-106.754.2000112.2
506Q22.5Very low24.2Very low162 Ų162148.8 Ų148.876%0.75781%0.81SS**  trans25.8123.7156.2-70.3162.6-27.700123.2
507F20.7Very low24.4Very low196 Ų196145.1 Ų145.186%0.8681%0.811SS**  17.6131.5123.6-74.1-96.7000119.7
508I21.7Very low24.3Very low151 Ų151142.3 Ų142.377%0.77481%0.809SS**  -164.1152.5102.3-95.6155.1000108.8
509A22.1Very low24.4Very low97 Ų97144.8 Ų144.880%0.80281%0.813SS**  trans-114.9129.8172.800000110.3
510T22.6Very low24.4Very low132 Ų132144.9 Ų144.981%0.8182%0.82SS**  trans-156.6156.7175.99.10000112.2
511C21.1Very low24.3Very low138 Ų138139.2 Ų139.293%0.93282%0.816SS**  trans-103.4164.6-178.9-54.20000112.2
512G22.1Very low24.2Very low67 Ų67137.2 Ų137.269%0.69181%0.812SS**  trans130115.817600000110.9
513V21.9Very low24.1Very low137 Ų137139.5 Ų139.583%0.8382%0.819SS**  cis89.3125.734.3-1760000113.6
514S23.6Very low24.1Very low104 Ų104138.2 Ų138.273%0.72782%0.817SS**  trans62127.817940.70000116.9
515S24.9Very low24Very low118 Ų118137.4 Ų137.483%0.82582%0.815SS**  cis82.2150.936.4-57.20000114.6
516P30.2Very low24Very low130 Ų130136.9 Ų136.984%0.84482%0.819SS**  cis-126.4177.2-9.139.7-23.9000114.4
517G26Very low24.1Very low79 Ų79139.6 Ų139.681%0.81482%0.823SS**  trans178.680.7174.700000114.4
518T24.5Very low24.2Very low132 Ų132141.8 Ų141.881%0.8183%0.826SS**  trans-78.8130.2-168.6-51.20000114.3
519L24.7Very low24.3Very low164 Ų164140 Ų14086%0.85981%0.812SS**  trans-175.8120.3130.3-99.9158.5000113.4
520A25.9Very low24.3Very low97 Ų97141.9 Ų141.980%0.80281%0.809SS**  trans50.673.1153.600000121.3
521G23.3Very low24.4Very low75 Ų75146.4 Ų146.477%0.77381%0.811SS**  107.914.811200000124.9
522P26.7Very low24.7Very low118 Ų118150.9 Ų150.977%0.76681%0.808SS**  trans-83.8153.5170.534.1-33.8000112.8
523K27Very low24.9Very low214 Ų214154.2 Ų154.293%0.9381%0.81SS**  trans-123.9133.3163.9-82.7-173.1176.21780110.7
524Q24.7Very low24.9Very low185 Ų185151.6 Ų151.686%0.86480%0.797SS**  trans-95163.1-174.3-68.3173.7-62.900113.1
525Y23.3Very low24.9Very low216 Ų216155.7 Ų155.785%0.84780%0.803SS**  trans-55.7147.5168.8-73.6-105.7000112.7
526N25.1Very low24.8Very low163 Ų163155.9 Ų155.987%0.87280%0.799SS**  trans-149.4122.3160.2-103.9-49.9000110.2
527Y23.6Very low24.5Very low218 Ų218154.5 Ų154.586%0.85579%0.793SS**  trans-92.6115.8174.7-102.2-97.7000110.1
528R23.6Very low24.4Very low242 Ų242159.3 Ų159.391%0.91380%0.798SS**  trans176.6138.4149.1-103.2158.8-178.5-175.80.4113.9
529K23.1Very low24.4Very low113 Ų113160.3 Ų160.349%0.49180%0.798SS.*  trans34.1130.4151-74.2-173.4166.8174.40121.3E242 N244E242-K529 WeakPolarHBondContact O-CE 3.34Å; E242-K529 PolarHBondContact O-NZ 3.28Å; N244-K529 PolarHBondContact OD1-NZ 3.02Å
530L23Very low24.3Very low138 Ų138157.1 Ų157.172%0.72379%0.789SS**  trans69.5106.4147-66.4163.2000119.7
531R25Very low24.2Very low227 Ų227158 Ų15886%0.85779%0.789SS**  trans178.4136.9137.2-93.6148.9-169.7-1510.4107.3
532R26Very low24.3Very low232 Ų232161.7 Ų161.788%0.87579%0.789SS**  cis65.874.520.2-152.4-177.7-163.9174.37.5114.3
533N25.7Very low24.1Very low137 Ų137162.2 Ų162.273%0.73379%0.785SS**  trans-143.3127.4149.7-75.9-30.9000104.4
534S23.1Very low24.1Very low81 Ų81157.6 Ų157.657%0.56677%0.771SS**  cis86.713530.3-52.50000114.2
535F22.8Very low24.3Very low191 Ų191156.6 Ų156.684%0.83877%0.766SS**  trans73.7148.3174.9-51.4-73.1000115.6
536T23Very low24.5Very low121 Ų121151.6 Ų151.674%0.74276%0.763SS**  cis-144.8166.17-20.20000112
537S23.4Very low24.7Very low102 Ų102151 Ų15171%0.71376%0.76SS**  trans-42.8136.1167.349.80000115
538L24.9Very low24.9Very low179 Ų179145.4 Ų145.494%0.93775%0.75SS**  trans-115.281.2158.8-95.8171.4000110.1
539L23.5Very low25Very low153 Ų153142 Ų14280%0.80175%0.75SS**  trans-128.3123.3159.5-15676.7000107.8
540S24Very low25.2Very low97 Ų97141.1 Ų141.168%0.67876%0.763SS**  trans48.1102.216857.40000120.1
541C22.7Very low25.4Very low116 Ų116140.8 Ų140.878%0.78477%0.767SS**  72.1129.1117.9-630000123.1
542I25.1Very low25.4Very low152 Ų152136.5 Ų136.578%0.77976%0.761SS**  trans87107.5140-64.3163.1000119.1
543D24.5Very low25.5Very low130 Ų130131.2 Ų131.270%0.69575%0.749SS**  trans59.8111.5136.3-65.811.3000124.9
544N25Very low25.4Very low117 Ų117133.9 Ų133.963%0.62675%0.749SS**  81.3126.7117.8-67.9-38.2000124
545H30.4Very low25.6Very low164 Ų164136 Ų13676%0.75975%0.75SS**  trans74.4119.9147.4-59.2-39.3000122.1
546S26.7Very low25.9Very low111 Ų111132.5 Ų132.578%0.77675%0.745SS**  34.6139.7128.9-420000120.1
547D30.1Very low26.1Very low151 Ų151133.4 Ų133.481%0.80775%0.745SS**  cis-166.3150.636.9-164.932.2000110.7
548P26.9Very low26.5Very low100 Ų100137.4 Ų137.465%0.64975%0.752SS**  trans-112.9118.7-173.436.1-24.9000115.3
549N25.5Very low26.6Very low171 Ų171135.4 Ų135.491%0.91474%0.742SS**  trans-175117.4155.3-99.9-49.9000113.4
550A28.1Very low27.1Very low94 Ų94136.4 Ų136.478%0.77775%0.747SS**  trans-178117.8144.500000115.2
551V28.1Very low27.2Very low130 Ų130139.1 Ų139.179%0.78875%0.754SS**  trans43.587.3130.5-166.20000120.1
552N24.5Very low27.5Very low138 Ų138136.6 Ų136.674%0.73875%0.748SS**  43.6130.699.6-162.620.2000120.2
553L26.7Very low27.7Very low121 Ų121135.6 Ų135.663%0.63475%0.749SS**  trans140.1130.8135-74.7165.7000116.1
554R25Very low27.8Very low192 Ų192134.6 Ų134.673%0.72575%0.753SS**  trans66.7154.5135.7-73.2180169.6-120.2-1.7119.6
555E26.7Very low27.7Very low127 Ų127134.9 Ų134.959%0.59376%0.762SS**  cis-161.7-173.3-11.1-128.6160.3179.300113.6
556T29.5Very low27.6Very low117 Ų117132.6 Ų132.672%0.71876%0.762SS**  trans73.999.2152.737.90000120.6
557N26.3Very low27.5Very low140 Ų140135.6 Ų135.675%0.74976%0.764SS**  trans-49.4154.3148.4-45.7-53.6000112.5
558H32.4Very low27.4Very low185 Ų185136.7 Ų136.786%0.85677%0.768SS**  trans-134.6121.5140.2-88.8-76.8000110.7
559N27.3Very low27.3Very low137 Ų137139.3 Ų139.373%0.73378%0.776SS**  trans-75.9158.4169.6-54.1-49.9000110
560L32.9Very low27.3Very low175 Ų175136.1 Ų136.192%0.91677%0.765SS**  trans-151.6142.5134.1-108.4172.4000110.5
561N26.9Very low27.1Very low153 Ų153137.1 Ų137.182%0.81876%0.762SS**  trans-96158.8-174.8-62.7-49.3000111.7
562G29.5Very low27.1Very low64 Ų64137.8 Ų137.866%0.6677%0.766SS**  trans16663.5173.800000113.5
563T28.3Very low27.1Very low130 Ų130138.8 Ų138.880%0.79877%0.766SS**  99.4142.680.446.80000114
564S26.6Very low27.1Very low110 Ų110142 Ų14277%0.76978%0.775SS**  trans58.3103.9161.553.90000120.1
565C23.8Very low27.1Very low123 Ų123140.7 Ų140.783%0.83178%0.778SS**  -66.3165.4129.8-47.60000109.1
566P28.5Very low27Very low116 Ų116139.2 Ų139.275%0.75378%0.781SS**  -144.6-171.685.441.3-25.8000114.8
567E24.4Very low26.8Very low173 Ų173140.2 Ų140.281%0.80878%0.782SS**  trans-51.9152.1174.4-54.8141.7119.500114.1
568L27.1Very low26.7Very low174 Ų174138 Ų13891%0.91178%0.778SS**  trans-175.6115.8131.8-98.8161.6000112.1
569L24.2Very low26.4Very low156 Ų156140.1 Ų140.182%0.81778%0.78SS**  trans-71.7157.4142.9-83.6160.1000107.6
570P26.8Very low26.3Very low103 Ų103144.9 Ų144.967%0.66979%0.788SS**  cis-150.6-175.438.443.4-22.5000117.3
571T24.1Very low26Very low116 Ų116141.5 Ų141.571%0.71278%0.779SS**  trans16.6132.4147.758.30000121.3
572T27.3Very low25.9Very low143 Ų143139.1 Ų139.188%0.87777%0.774SS**  -158.4143.1112.36.10000112.4
573E23.8Very low25.8Very low159 Ų159141.2 Ų141.274%0.74378%0.778SS**  trans-86.2142.4161-58.2164.6128.800108.2
574F26.8Very low25.8Very low188 Ų188142.6 Ų142.683%0.82578%0.776SS**  trans180111.4144.9-100.2-68.4000106.7
575E25.1Very low25.9Very low166 Ų166145.1 Ų145.178%0.77678%0.776SS**  50.6110.476-101.1-175.6-16100114.4
576S24.7Very low25.8Very low95 Ų95144.2 Ų144.266%0.66477%0.771SS**  142152.8113.268.30000115.7
577N26.3Very low25.8Very low138 Ų138144 Ų14474%0.73877%0.769SS**  trans59.2106.6154-52.3-28.9000118.8
578S23.8Very low25.9Very low95 Ų95142 Ų14266%0.66476%0.764SS**  78.488.656.582.70000116.1
579Y26.9Very low25.9Very low228 Ų228140.1 Ų140.189%0.89475%0.754SS**  trans-142.1126.4148.9-85.6-84.5000106.2
580R24.1Very low26Very low237 Ų237139.6 Ų139.689%0.89475%0.752SS**  cis80.663.920-151.6-167.3-171.4-166.33.7116.3
581S28.1Very low25.8Very low105 Ų105139.3 Ų139.373%0.73475%0.752SS**  trans-152.1115.5144.443.20000107.7
582S24Very low26Very low103 Ų103141.3 Ų141.372%0.7276%0.756SS**  cis85.3138.54875.10000113.2
583S27Very low26Very low107 Ų107141 Ų14175%0.74875%0.748SS**  trans77.1145.1-170.585.60000113.8
584Q28.4Very low26.1Very low159 Ų159141.3 Ų141.374%0.74375%0.753SS**  cis-159.3142.5-13.8-125.2160-26.600109.6
585Q28.9Very low26.2Very low164 Ų164137.2 Ų137.277%0.76675%0.746SS**  trans65.4149.2161.7-65.4162.1-55.600116.5
586S22.3Very low26.4Very low104 Ų104134.7 Ų134.773%0.72774%0.743SS**  cis52.4133.8-12.865.60000120
587P28.1Very low26.5Very low111 Ų111137.1 Ų137.172%0.72175%0.749SS**  cis-128.5-152.623.937.8-14.4000108.8
588D25.4Very low26.7Very low131 Ų131137.9 Ų137.970%0.70175%0.753SS**  cis177.7-176.45.5-139.4-35.4000106.5
589L28.3Very low27Very low134 Ų134139.9 Ų139.970%0.70276%0.755SS**  trans56.1107.8150.5-63.4165.7000119
590L25Very low27.2Very low146 Ų146135 Ų13576%0.76475%0.745SS**  84.5120.381.2-109.5176000116.3
591S23.6Very low27.7Very low96 Ų96129.2 Ų129.267%0.67173%0.732SS**  trans56.7119.8152.3610000121
592I27.3Very low27.8Very low158 Ų158129.8 Ų129.881%0.8173%0.726SS**  trans-149.996.9141.7-96137.8000106.1
593I28.4Very low28.3Very low136 Ų136133.1 Ų133.170%0.69773%0.73SS**  73.3108.6106.1-64.2161000113.9P595I593-P595 HydrophobicContact CG2-CG 4.41Å
594I25.1Very low28.5Very low166 Ų166132.1 Ų132.185%0.85172%0.724SS**PPolyproline II helixtrans-89122.1152.7-63.5172.8000107
595P30.4Very low28.8Very low103 Ų103133.3 Ų133.367%0.66973%0.726SS**PPolyproline II helixtrans-71.8150.3173.4-18.332.9000112.6I593I593-P595 HydrophobicContact CG2-CG 4.41Å
596P28.5Very low29Very low112 Ų112131.4 Ų131.473%0.72772%0.721SS**PPolyproline II helixtrans-98.9157.3-164.337.7-37.2000116.4
597N26.1Very low29.6Very low146 Ų146132.1 Ų132.178%0.78172%0.721SS**  trans36.1118.2144-61.4-5.7000121
598N31.4Very low29.8Very low154 Ų154134.8 Ų134.882%0.82472%0.721SS**  trans-171.2147.4135-85.7-37.5000107.3
599L30.5Very low30.2Very low137 Ų137134.8 Ų134.872%0.71772%0.721SS**  cis-163.3156.1-14.2-117.1166.2000106.9
600N31.4Very low30.3Very low127 Ų127135.1 Ų135.168%0.67972%0.724SS**  trans64.5152.1170.6-73.836.7000117.2
601D33.1Very low30.6Very low115 Ų115132.5 Ų132.562%0.61572%0.723SS**  cis-142.9136.1-2.8-111-36.6000113.4
602N31.4Very low31Very low116 Ų116134.9 Ų134.962%0.6272%0.724SS**  trans47.2121.2144.9-58.4-38.7000124.1
603H33Very low31.1Very low173 Ų173135.1 Ų135.180%0.80172%0.721SS**  trans77.5145.7143-56.3-33.7000120.2
604S32Very low31.2Very low87 Ų87134.9 Ų134.961%0.60873%0.726SS**  cis-172.9138.1-27.6570000110.7
605K33.8Very low31.2Very low184 Ų184134.7 Ų134.780%0.872%0.721SS**  trans66.6154.8149.6-68.2179.3171.8-174.10117.3
606D34.8Very low31.1Very low124 Ų124137.6 Ų137.666%0.66373%0.729SS**  cis-160.4161.6-11.2-118-36.1000109.2
607V33.6Very low31Very low119 Ų119138.1 Ų138.172%0.72173%0.725SS**  trans66.6141.6145160.10000120
608K33Very low31.2Very low167 Ų167140.3 Ų140.373%0.72673%0.728SS**  cis-176.8169.8-28.6-136.4177.5-166.4173.30109.9
609N32.8Very low31.1Very low131 Ų131139.7 Ų139.770%0.70172%0.724SS**  trans74.5145.6162.3-50.6-22.8000116.3
610N30.6Very low31Very low141 Ų141137.6 Ų137.675%0.75472%0.721SS**  cis156.5163.6-26.7-97.534000106.2
611A31.8Very low30.8Very low90 Ų90138.1 Ų138.174%0.74472%0.724SS**  trans86.3134.2167.600000118.7
612E31.8Very low30.6Very low147 Ų147141.1 Ų141.169%0.68773%0.734SS**  cis-175.8137.6-34.2-116.7164.2-140.900111.1
613H29.1Very low30.3Very low162 Ų162140.9 Ų140.975%0.7574%0.737SS**  trans58.5165.3157-60.9-56.8000118.3
614V30.6Very low30Very low132 Ų132140.2 Ų140.280%0.873%0.734SS**  cis-134.5140.813.3176.40000111
615E25.3Very low29.7Very low162 Ų162144.8 Ų144.876%0.75774%0.742SS**  trans-91.3148.6168.3-52.416798.400112.2
616I29.1Very low29.4Very low164 Ų164143.2 Ų143.284%0.84174%0.743SS**  trans-141.7122.7148.6-61.1-173.5000110.4
617L25.6Very low29Very low122 Ų122144.7 Ų144.764%0.63975%0.751SS**  trans-85153.7173.7-70.771.4000112.5
618K31.2Very low28.6Very low192 Ų192142.6 Ų142.684%0.83575%0.753SS**  178128.9118.5-96.4156-173.3173.70115.5
619N29.5Very low28.2Very low141 Ų141142 Ų14275%0.75476%0.757SS**  32.7143.6122.9-5719.2000120.5
620S27.3Very low27.7Very low93 Ų93143.6 Ų143.665%0.6576%0.762SS**  cis-178.4151-7.548.70000112
621N27.2Very low27.4Very low138 Ų138145.2 Ų145.274%0.73876%0.759SS**  trans52111.7151.8-56.6-6.2000120.8
622H28.7Very low27Very low178 Ų178143.8 Ų143.882%0.82475%0.753SS**  -177.2102.2102.2-103.7-75.4000115
623V25.2Very low26.6Very low112 Ų112142.2 Ų142.268%0.67975%0.748SS**  trans15.6116.5136.5-1720000119.2
624H27.1Very low26.3Very low159 Ų159143.3 Ų143.374%0.73675%0.753SS**  -165139.9106.7-110.1-65000115.3
625K25.7Very low26.1Very low182 Ų182141.1 Ų141.179%0.79174%0.74SS**  trans-0122.8160-61.6171.3177.4178.90118.2
626D28.2Very low26Very low152 Ų152140.8 Ų140.881%0.81374%0.738SS**  -156.1178.1120.4-131.5-39.9000112.3
627N25.3Very low25.9Very low155 Ų155142.2 Ų142.283%0.82974%0.738SS**  trans-88.7139.4-164-60-88.1000114.7
628G25Very low25.8Very low74 Ų74142.6 Ų142.676%0.76374%0.741SS**  trans152.587.1163.900000116M630G628-M630 PolarHBondContact O-N 3.22Å
629L25.1Very low25.7Very low155 Ų155142.4 Ų142.481%0.81274%0.743SS**  trans-82.988.7171.5-80.7173.3000111.5Y631L629-Y631 HydrophobicContact CB-CE2 4.44Å
630M22.9Very low25.6Very low164 Ų164144.8 Ų144.881%0.80875%0.747SS**  trans-88104.2169.3-154.9-63.3109.100109G628 G632G628-M630 PolarHBondContact O-N 3.22Å; M630-G632 PolarHBondContact O-N 3.26Å
631Y24.1Very low25.5Very low175 Ų175148.1 Ų148.169%0.68676%0.757SS**  trans-79.780.5177-86.8-82.5000111.6L629L629-Y631 HydrophobicContact CB-CE2 4.44Å
632G23.1Very low25.6Very low60 Ų60147.1 Ų147.162%0.61976%0.758SS**  trans-84.5112.6163.500000110.6M630M630-G632 PolarHBondContact O-N 3.26Å
633I23.9Very low25.5Very low114 Ų114146.1 Ų146.159%0.58576%0.759SS**  trans-97.195.4174.4-58.4178.5000108.6V635I633-V635 HydrophobicContact CG2-CG2 3.71Å
634H22.5Very low25.7Very low185 Ų185148.7 Ų148.786%0.85677%0.767SS**  trans-81.5124.7160.5-93.7-92.4000108.9
635V26.1Very low25.7Very low87 Ų87148.9 Ų148.953%0.52777%0.767SS.*  trans-115.2108.5166.7-166.50000108.3I633 F637I633-V635 HydrophobicContact CG2-CG2 3.71Å; V635-F637 HydrophobicContact CB-CE2 4.35Å; V635-F637 HydrophobicContact CG1-CD2 3.74Å; V635-F637 HydrophobicContact CG1-CE1 4.46Å; V635-F637 HydrophobicContact CG1-CE2 3.41Å; V635-F637 VanDerWaalsContact CG1-CE2 3.41Å; V635-F637 HydrophobicContact CG1-CG 4.4Å; V635-F637 HydrophobicContact CG1-CZ 3.81Å
636H23.3Very low25.9Very low155 Ų155151.9 Ų151.972%0.71877%0.774SS**  trans-74.8135.9162.1-110-104.2000108.5D638H636-D638 IonicContact CE1-OD2 2.71Å; H636-D638 IonicContact CG-OD2 2.69Å; H636-D638 IonicContact ND1-OD2 3.59Å; H636-D638 PolarHBondContact ND1-OD2 3.03Å
637F26Very low25.9Very low193 Ų193150.5 Ų150.585%0.84677%0.766SS**  trans-125.978.3167.6-84.5-63.8000109.7V635V635-F637 HydrophobicContact CB-CE2 4.35Å; V635-F637 HydrophobicContact CG1-CD2 3.74Å; V635-F637 HydrophobicContact CG1-CE1 4.46Å; V635-F637 HydrophobicContact CG1-CE2 3.41Å; V635-F637 VanDerWaalsContact CG1-CE2 3.41Å; V635-F637 HydrophobicContact CG1-CG 4.4Å; V635-F637 HydrophobicContact CG1-CZ 3.81Å
638D24.6Very low26.1Very low130 Ų130151 Ų15170%0.69577%0.769SS**  trans-91.3101.7163.8-74.4-78.6000109.3H636H636-D638 IonicContact CE1-OD2 2.71Å; H636-D638 IonicContact CG-OD2 2.69Å; H636-D638 IonicContact ND1-OD2 3.59Å; H636-D638 PolarHBondContact ND1-OD2 3.03Å
639E28.8Very low26.3Very low188 Ų188154.6 Ų154.688%0.87977%0.771SS**  trans-160.2166143.4-119.6-177.6166.700114.8
640K27.3Very low26.4Very low191 Ų191154.6 Ų154.683%0.8377%0.772SS**PPolyproline II helixtrans-86.1146.5-155.4-64155-178.6162.90114.2
641L26Very low26.6Very low163 Ų163151.6 Ų151.685%0.85377%0.773SS**PPolyproline II helixtrans-70.2146.1166.4-78.385.4000112.4
642P29.6Very low27Very low118 Ų118148.7 Ų148.777%0.76677%0.769SS**PPolyproline II helixtrans-92.9142.3151.233.3-26.8000111.7
643N26.3Very low27.3Very low157 Ų157148.1 Ų148.184%0.8476%0.764SS**PPolyproline II helixtrans-70.9136.2-174.4-67.5-31.3000114.4
644I29.8Very low27.8Very low166 Ų166147.1 Ų147.185%0.85176%0.759SS**  trans-135.2123.3146.9-60.3-177000108
645H27Very low28.5Very low162 Ų162144.8 Ų144.875%0.7575%0.748SS**  trans-65.4133.4173.8-94.1-97.4000111.5D647H645-D647 IonicContact ND1-OD1 2.71Å; H645-D647 PolarHBondContact ND1-OD1 2.66Å
646R29Very low29.3Very low245 Ų245149.3 Ų149.393%0.92576%0.756SS**  trans-153.9139.2133.4-118.6175.6-175.6174.51.1110.1
647D27.6Very low30.9Very low123 Ų123144.1 Ų144.166%0.65873%0.733SS**  trans-95.2126.1-165.4-32.7-77.8000110H645H645-D647 IonicContact ND1-OD1 2.71Å; H645-D647 PolarHBondContact ND1-OD1 2.66Å
648D30.3Very low31.6Very low166 Ų166143.5 Ų143.589%0.88874%0.739SS**  trans-158.397.4163.8-100.5-37.2000107.3
649D28.1Very low32.3Very low149 Ų149144.7 Ų144.780%0.79774%0.744SS**  trans-73.9154.9178.9-73.6-53.7000111.9
650N27.6Very low32.3Very low156 Ų156137.9 Ų137.983%0.83473%0.725SS**  trans79.867.2-178.4-43-78.8000115.6
651A28Very low33Very low100 Ų100133.9 Ų133.983%0.82671%0.713SS**  trans-100.194156.800000109.7G653A651-G653 PolarHBondContact O-N 3.04Å
652D31.6Very low33.2Very low115 Ų115130.2 Ų130.262%0.61569%0.693SS**  trans-59.4121.4174.1-81.8-34.1000110.5L654 I664D652-L654 PolarHBondContact O-N 3.47Å; D652-I664 HydrophobicContact CB-CG2 4.1Å
653G29.2Very low33.6Very low48 Ų48130.2 Ų130.250%0.49568%0.683SS.*  trans-68.7125.2175.900000111.4A651 A665A651-G653 PolarHBondContact O-N 3.04Å; G653-A665 PolarHBondContact O-N 3.34Å; G653-A665 VanDerWaalsContact O-N 3.09Å
654L34.1Very low34Very low93 Ų93127.2 Ų127.249%0.48767%0.666SS.*EExtended strand (participates in β ladder)trans-98.2113.4171.7-70166.4000108.6D652 L662 Q663 I664D652-L654 PolarHBondContact O-N 3.47Å; L654-L662 HydrophobicContact CB-CD1 4.13Å; L654-L662 HydrophobicContact CB-CD2 4.29Å; L654-L662 HydrophobicContact CB-CG 4.11Å; L654-L662 HydrophobicContact CD1-CD2 4.11Å; L654-L662 HydrophobicContact CD2-CD2 4.33Å; L654-L662 HydrophobicContact CD2-CG 4.26Å; L654-L662 HydrophobicContact CG-CD2 4.48Å; L654-Q663 WeakPolarHBondContact CA-O 3.39Å; L654-I664 HydrophobicContact CD2-CG1 3.74Å
655E37.7Very low34.3Very low136 Ų136121.9 Ų121.964%0.63665%0.647SS**EExtended strand (participates in β ladder)trans-109.4147.7178.2-167.8161.9-146.900109.3Q663E655-Q663 PolarHBondContact N-O 3.28Å; E655-Q663 VanDerWaalsContact N-O 3.11Å; E655-Q663 PolarHBondContact O-N 3.44Å
656W43.6Very low34.6Very low182 Ų182122.7 Ų122.769%0.68965%0.648SS**EExtended strand (participates in β ladder)trans-91.5131174.9-64.393.5000108.9G660 L662W656-G660 WeakPolarHBondContact CZ3-O 3.31Å; W656-L662 HydrophobicContact CD2-CD1 3.61Å; W656-L662 HydrophobicContact CE3-CB 4.35Å; W656-L662 HydrophobicContact CE3-CD1 3.99Å; W656-L662 HydrophobicContact CG-CD1 4.01Å; W656-L662 HydrophobicContact CH2-CD1 4.31Å; W656-L662 HydrophobicContact CZ2-CD1 3.94Å; W656-L662 HydrophobicContact CZ3-CB 4.34Å; W656-L662 HydrophobicContact CZ3-CD1 4.32Å
657D57.1Low34.8Very low45 Ų45116.6 Ų116.624%0.24164%0.643CS.*  trans-86.8172.5172.767.828.4000113L659 G660 D661 Q663D657-L659 PolarHBondContact O-N 2.82Å; D657-L659 WeakPolarHBondContact OD1-CA 3.38Å; D657-L659 WeakPolarHBondContact OD1-CB 3.42Å; D657-L659 PolarHBondContact OD1-N 3.03Å; D657-G660 PolarHBondContact O-N 3.31Å; D657-G660 PolarHBondContact OD1-N 3.02Å; D657-G660 VanDerWaalsContact OD1-N 3.1Å; D657-D661 PolarHBondContact N-O 2.98Å; D657-D661 PolarHBondContact OD1-N 3.13Å; D657-Q663 PolarHBondContact OD2-NE2 2.69Å
658D40.4Very low34.8Very low181 Ų181118.5 Ų118.597%0.96865%0.653SS**THydrogen-bonded Turntrans-63-6.3179.2-69.9-44.6000114.2
659L39Very low34.7Very low154 Ų154115.9 Ų115.981%0.80665%0.648SS**THydrogen-bonded Turntrans-100.8-10.3175.3-62.5170.6000112.5D657D657-L659 PolarHBondContact O-N 2.82Å; D657-L659 WeakPolarHBondContact OD1-CA 3.38Å; D657-L659 WeakPolarHBondContact OD1-CB 3.42Å; D657-L659 PolarHBondContact OD1-N 3.03Å
660G29.9Very low34.6Very low45 Ų45114.9 Ų114.946%0.46465%0.65SS.*SBendtrans8513.6-175.600000114W656 D657W656-G660 WeakPolarHBondContact CZ3-O 3.31Å; D657-G660 PolarHBondContact O-N 3.31Å; D657-G660 PolarHBondContact OD1-N 3.02Å; D657-G660 VanDerWaalsContact OD1-N 3.1Å
661D41.1Very low34.7Very low108 Ų108112.4 Ų112.458%0.57865%0.645SS**  trans-85.8145.9171-84.1-42000110.5D657D657-D661 PolarHBondContact N-O 2.98Å; D657-D661 PolarHBondContact OD1-N 3.13Å
662L30.8Very low34.8Very low86 Ų86115.1 Ų115.145%0.4564%0.644SS.*EExtended strand (participates in β ladder)trans-100.3100.3-173.7-168.577.1000110.4L654 W656L654-L662 HydrophobicContact CB-CD1 4.13Å; L654-L662 HydrophobicContact CB-CD2 4.29Å; L654-L662 HydrophobicContact CB-CG 4.11Å; L654-L662 HydrophobicContact CD1-CD2 4.11Å; L654-L662 HydrophobicContact CD2-CD2 4.33Å; L654-L662 HydrophobicContact CD2-CG 4.26Å; L654-L662 HydrophobicContact CG-CD2 4.48Å; W656-L662 HydrophobicContact CD2-CD1 3.61Å; W656-L662 HydrophobicContact CE3-CB 4.35Å; W656-L662 HydrophobicContact CE3-CD1 3.99Å; W656-L662 HydrophobicContact CG-CD1 4.01Å; W656-L662 HydrophobicContact CH2-CD1 4.31Å; W656-L662 HydrophobicContact CZ2-CD1 3.94Å; W656-L662 HydrophobicContact CZ3-CB 4.34Å; W656-L662 HydrophobicContact CZ3-CD1 4.32Å
663Q37.7Very low34.4Very low118 Ų118117.1 Ų117.155%0.55165%0.654SS**EExtended strand (participates in β ladder)trans-101150.1-173.6-59.7-157.341.600113L654 E655 D657 A665L654-Q663 WeakPolarHBondContact CA-O 3.39Å; E655-Q663 PolarHBondContact N-O 3.28Å; E655-Q663 VanDerWaalsContact N-O 3.11Å; E655-Q663 PolarHBondContact O-N 3.44Å; D657-Q663 PolarHBondContact OD2-NE2 2.69Å; Q663-A665 PolarHBondContact O-N 2.96Å
664I35.1Very low34.5Very low94 Ų94119.6 Ų119.648%0.48266%0.662SS.*EExtended strand (participates in β ladder)trans-81.3111.3170.1-64.9171.3000107.6D652 L654 K666D652-I664 HydrophobicContact CB-CG2 4.1Å; L654-I664 HydrophobicContact CD2-CG1 3.74Å; I664-K666 VanDerWaalsContact C-N 3.33Å; I664-K666 HydrophobicContact CG2-CG 4.41Å; I664-K666 PolarHBondContact O-N 2.93Å
665A35.2Very low34.2Very low53 Ų53119.8 Ų119.844%0.43867%0.67SS.*  trans-73.381.3-17700000111.8G653 Q663 S667G653-A665 PolarHBondContact O-N 3.34Å; G653-A665 VanDerWaalsContact O-N 3.09Å; Q663-A665 PolarHBondContact O-N 2.96Å; A665-S667 PolarHBondContact O-N 3.47Å
666K33.5Very low33.7Very low179 Ų179120.3 Ų120.378%0.77868%0.678SS**  trans-72.8111.5170-77.4-170.6173.6-177.40110.3I664 D668I664-K666 VanDerWaalsContact C-N 3.33Å; I664-K666 HydrophobicContact CG2-CG 4.41Å; I664-K666 PolarHBondContact O-N 2.93Å; K666-D668 PolarHBondContact O-N 3.38Å; K666-D668 VanDerWaalsContact O-N 3.17Å
667S32.4Very low33Very low118 Ų118120.2 Ų120.283%0.82569%0.685SS**  trans-70.3103.9172.642.50000111.1A665 S669A665-S667 PolarHBondContact O-N 3.47Å; S667-S669 PolarHBondContact O-N 3.28Å
668D27.7Very low31.6Very low163 Ų163123 Ų12387%0.87271%0.708SS**  trans-62.3133.2171.3-94-32.5000111.1K666K666-D668 PolarHBondContact O-N 3.38Å; K666-D668 VanDerWaalsContact O-N 3.17Å
669S28.9Very low30.9Very low111 Ų111119.7 Ų119.778%0.77669%0.694SS**  trans-151.7136.8162.8-81.10000110.4S667S667-S669 PolarHBondContact O-N 3.28Å
670P26.9Very low30.4Very low128 Ų128119.9 Ų119.983%0.83170%0.696SS**  trans-103.5136.7-151.636.8-34000115.2
671S29.3Very low30.1Very low104 Ų104123.1 Ų123.173%0.72771%0.707SS**  trans-161.4119.9157.158.50000115.5
672L28.8Very low29.5Very low156 Ų156126.4 Ų126.482%0.81772%0.724SS**  trans57.497.5133.4-55.4172000120.5
673L24.5Very low29.2Very low157 Ų157130 Ų13082%0.82274%0.743SS**  15.2154.3114.7-65.7165.5000119.6
674P31.8Very low28.5Very low101 Ų101128 Ų12866%0.65675%0.754SS**  cis-145.7-154.5-31.141.5-21.5000112.8
675S26.9Very low28Very low96 Ų96129 Ų12967%0.67177%0.769SS**  trans80.8150.115479.20000118.8
676N26.1Very low27.4Very low148 Ų148133.7 Ų133.779%0.79179%0.785SS**  cis-163.1153.5-21.3-106.6-9.8000109.8
677E29Very low27Very low180 Ų180131.1 Ų131.184%0.84179%0.785SS**  trans143105.5155.5-83171.4-167.400108.6
678S27.7Very low26.5Very low104 Ų104132.8 Ų132.873%0.72778%0.784SS**  cis73.213439.597.70000112.5
679V26.2Very low26.5Very low111 Ų111131.5 Ų131.567%0.67378%0.783SS**  cis-140.21518.8-163.70000106.3
680D28.3Very low26.2Very low157 Ų157130.3 Ų130.384%0.8479%0.787SS**  -165.213185.5-109-45.1000112
681T24.2Very low26Very low114 Ų114127.5 Ų127.570%0.69978%0.782SS**  trans-122.1132.8177.350.60000111.2
682L27.4Very low25.7Very low177 Ų177128.1 Ų128.193%0.92779%0.786SS**  trans-129.9117.8158.6-88.8170.2000110.3
683N24.6Very low25.5Very low162 Ų162127.9 Ų127.987%0.86678%0.784SS**  trans-73.6147.7177.8-63-49.8000111.1
684G24.1Very low25.4Very low76 Ų76128.4 Ų128.478%0.78479%0.787SS**  trans-170.170.9-17900000117.4
685S24.4Very low25Very low114 Ų114129.2 Ų129.280%0.79779%0.793SS**  trans51.4120.5158.4-155.30000120.9
686I22.2Very low24.9Very low151 Ų151127.9 Ų127.977%0.77479%0.793SS**  trans-47.7134.6150.8-61.1152.8000111.1
687V24.9Very low24.7Very low126 Ų126126.1 Ų126.176%0.76479%0.793SS**  trans-146.7133.7145.6178.80000108.4
688N22.7Very low24.6Very low153 Ų153123 Ų12382%0.81879%0.789SS**  trans-82.5116.5177.3-78.9-18.4000112.3
689T26.9Very low24.3Very low136 Ų136125.4 Ų125.483%0.83479%0.792SS**  trans-137125.9149.347.50000107.7
690G22.9Very low24.1Very low85 Ų85126.2 Ų126.288%0.87680%0.798SS**  cis99.756.718.800000110.4
691G24.1Very low23.8Very low70 Ų70125.4 Ų125.472%0.72279%0.793SS**  trans-158.890.4-175.600000111.5I693G691-I693 PolarHBondContact O-N 3.26Å
692S21.9Very low23.8Very low116 Ų116125.1 Ų125.181%0.81180%0.801SS**  trans-75.2115173.554.80000110.5
693I24.4Very low23.6Very low151 Ų151121.9 Ų121.977%0.77479%0.789SS**  trans-125109.7167.6-57.6-177.3000108.4G691 P695G691-I693 PolarHBondContact O-N 3.26Å; I693-P695 VanDerWaalsContact O-CD 3.32Å; I693-P695 WeakPolarHBondContact O-CD 3.44Å
694L22.9Very low23.5Very low168 Ų168122.9 Ų122.988%0.8879%0.788SS**  trans-80.2127.5159.3-80.373.5000108.1
695P23.9Very low23.5Very low119 Ų119124 Ų12477%0.77379%0.79SS**  trans-115.3141.6137.334.8-27000108.8I693I693-P695 VanDerWaalsContact O-CD 3.32Å; I693-P695 WeakPolarHBondContact O-CD 3.44Å
696G23.6Very low23.4Very low67 Ų67126.9 Ų126.969%0.69180%0.795SS**  cis159.5105.71.800000107.7P698G696-P698 WeakPolarHBondContact O-CD 3.29Å
697S23.1Very low23.4Very low112 Ų112125.3 Ų125.378%0.78379%0.793SS**  trans-79.9132.4-174.7-47.70000111.8L699S697-L699 VanDerWaalsContact C-N 3.34Å; S697-L699 PolarHBondContact O-N 2.77Å
698P25.2Very low23.3Very low115 Ų115123.6 Ų123.675%0.74779%0.786SS**  trans-86.379152.432.4-30000109.5G696 T700G696-P698 WeakPolarHBondContact O-CD 3.29Å; P698-T700 PolarHBondContact O-N 2.69Å; P698-T700 VanDerWaalsContact O-N 3.12Å
699L22.1Very low23.4Very low153 Ų153121.8 Ų121.880%0.80178%0.783SS**  trans-76.880.2157.9-104.6172.2000107.8S697 L701S697-L699 VanDerWaalsContact C-N 3.34Å; S697-L699 PolarHBondContact O-N 2.77Å; L699-L701 PolarHBondContact O-N 2.71Å
700T22.7Very low23.1Very low129 Ų129120.7 Ų120.779%0.79178%0.779SS**  trans-91.1105.5174.5-54.40000109.5P698 A702P698-T700 PolarHBondContact O-N 2.69Å; P698-T700 VanDerWaalsContact O-N 3.12Å; T700-A702 PolarHBondContact O-N 2.95Å
701L22.8Very low23.2Very low140 Ų140125.1 Ų125.173%0.73378%0.775SS**  trans-68.5118.9-178.8-66.9133.3000111.5L699 V703L699-L701 PolarHBondContact O-N 2.71Å; L701-V703 HydrophobicContact CB-CG2 4.11Å; L701-V703 HydrophobicContact CD2-CG2 3.6Å; L701-V703 HydrophobicContact CG-CG2 4.47Å
702A22.8Very low23.1Very low107 Ų107130.6 Ų130.688%0.88478%0.782SS**  trans-96.278.5149.100000107.8T700T700-A702 PolarHBondContact O-N 2.95Å
703V23Very low23.2Very low109 Ų109132 Ų13266%0.66178%0.78SS**  trans-79.9117.3172.6161.80000108.9L701L701-V703 HydrophobicContact CB-CG2 4.11Å; L701-V703 HydrophobicContact CD2-CG2 3.6Å; L701-V703 HydrophobicContact CG-CG2 4.47Å
704E22.4Very low23.2Very low184 Ų184131 Ų13186%0.8678%0.78SS**  trans-155.1169.3142.3-117.6169.2-148.900110.6L706E704-L706 VanDerWaalsContact C-N 3.33Å; E704-L706 PolarHBondContact O-N 3.38Å; E704-L706 VanDerWaalsContact O-N 3.16Å
705A24Very low23.4Very low98 Ų98131.9 Ų131.981%0.8178%0.78SS**SBendtrans645.8177.700000119.7V707A705-V707 PolarHBondContact O-N 2.87Å
706L23.1Very low23.4Very low175 Ų175130.1 Ų130.192%0.91677%0.77SS**  trans-89.153.5157.2-114.1-179.8000111.6E704E704-L706 VanDerWaalsContact C-N 3.33Å; E704-L706 PolarHBondContact O-N 3.38Å; E704-L706 VanDerWaalsContact O-N 3.16Å
707V22.9Very low23.6Very low119 Ų119134.8 Ų134.872%0.72177%0.774SS**  trans-137106.1178179.50000109.4A705A705-V707 PolarHBondContact O-N 2.87Å
708S22.6Very low23.6Very low89 Ų89135.6 Ų135.662%0.62277%0.768SS**  trans-54.9151.5167.6-530000110.9C710S708-C710 PolarHBondContact O-N 3.42Å
709P24.2Very low23.6Very low116 Ų116137.8 Ų137.875%0.75377%0.769SS**  trans-64.875.2172.3-23.335.4000113.4F711P709-F711 HydrophobicContact CB-CD2 4.06Å; P709-F711 HydrophobicContact CB-CE2 4.43Å; P709-F711 PolarHBondContact O-N 3.49Å
710C21.4Very low23.7Very low112 Ų112137.7 Ų137.776%0.75776%0.764SS**  trans-71.463.8171.3-79.60000110.7S708 Q712S708-C710 PolarHBondContact O-N 3.42Å; C710-Q712 PolarHBondContact O-N 2.93Å
711F23.4Very low23.7Very low179 Ų179138.2 Ų138.279%0.78576%0.761SS**  trans-71.181.4171.6-89.7-76.6000110.7P709 L713P709-F711 HydrophobicContact CB-CD2 4.06Å; P709-F711 HydrophobicContact CB-CE2 4.43Å; P709-F711 PolarHBondContact O-N 3.49Å; F711-L713 PolarHBondContact O-N 2.93Å
712Q22.2Very low23.8Very low184 Ų184135.4 Ų135.486%0.8675%0.753SS**  trans-6398.8158.7-71.7-174.4-17.200109.3C710C710-Q712 PolarHBondContact O-N 2.93Å
713L23.7Very low23.9Very low147 Ų147138.3 Ų138.377%0.7775%0.748SS**  trans-121.786.5162.5-81.9173.7000110.8F711F711-L713 PolarHBondContact O-N 2.93Å
714T25.7Very low24Very low128 Ų128140.5 Ų140.579%0.78575%0.754SS**  trans-1.7118.3155.949.80000118
715E26.3Very low24.1Very low187 Ų187134.7 Ų134.787%0.87474%0.744SS**  trans-61.6128.4165.4175.8179.3-142.900112.8
716S24.3Very low24.2Very low82 Ų82137 Ų13757%0.57374%0.741SS**  trans-161.2151.6156.471.10000111
717H26.7Very low24.2Very low165 Ų165132.9 Ų132.976%0.76473%0.727SS**  trans6282175.6-51.398.2000114
718I23.3Very low24.3Very low129 Ų129135.2 Ų135.266%0.66273%0.73SS**  cis66.8118.244.7-52171.4000113.1
719Q25Very low24.4Very low162 Ų162138.3 Ų138.376%0.75774%0.735SS**  trans71.5167.5159.4-73.3161.6-0.100120.2
720H25.2Very low24.4Very low151 Ų151141.5 Ų141.570%0.69974%0.737SS**  trans68.199.4172.8-66.2-72000116.9
721L23.6Very low24.4Very low140 Ų140139.5 Ų139.573%0.73372%0.724SS**  80.3107.791.3-77.4-171.7000110.5
722S24Very low24.5Very low81 Ų81139.4 Ų139.457%0.56673%0.726SS**  75.1143.478.887.60000114
723Q24.9Very low24.7Very low167 Ų167134.1 Ų134.178%0.7871%0.713SS**  trans74.3133.7164.9-60.5178.2-6.900117.8
724I24.9Very low24.7Very low155 Ų155133.1 Ų133.180%0.79571%0.705SS**  trans48.1118.6130.1-51.9166.8000118.7
725G25Very low24.6Very low62 Ų62131.9 Ų131.964%0.63970%0.697SS**  trans166136161.500000110.5
726I25.4Very low24.4Very low148 Ų148126.1 Ų126.176%0.75968%0.677SS**  cis61.781.342.2-51.5173.9000107.9
727S23.6Very low24.3Very low88 Ų88126 Ų12662%0.61568%0.676SS**  71.3143.676.582.10000112.9
728Q25Very low24.2Very low168 Ų168125.7 Ų125.779%0.78568%0.679SS**  trans69.3150.4-170.8-50.61754.200110.9
729Q24.2Very low24.2Very low154 Ų154129.8 Ų129.872%0.7269%0.688SS**  cis-151.9167.5-10.5-119.3168.44.900107.2
730K23.6Very low24.3Very low182 Ų182127.3 Ų127.379%0.79169%0.686SS**  21138106-83.8-170175.9-171.80116
731S23Very low24.3Very low70 Ų70124.1 Ų124.149%0.4968%0.681SS.*  cis-178.7-177.6-15.132.80000107.3
732H25.4Very low24.6Very low178 Ų178126.2 Ų126.282%0.82469%0.686SS**  trans74.8148.3168.4-47.1-68.8000115.7
733A24.8Very low24.7Very low72 Ų72130.5 Ų130.560%0.59570%0.697SS**  cis-161.3170-20.800000109.9
734E23.9Very low24.8Very low127 Ų127125.3 Ų125.359%0.59368%0.679SS**  trans24.2127.7137.2-59.9162.3-175.400117.1
735V24.9Very low24.8Very low102 Ų102126.1 Ų126.162%0.61868%0.68SS**  -145.8151.871.3149.40000112.5L481L481-V735 HydrophobicContact CD1-CG1 3.97Å
736S22.2Very low24.9Very low66 Ų66131 Ų13146%0.46269%0.69SS.*  trans-104.6177.4-151.1-37.40000116
737S22.5Very low25Very low78 Ų78128.2 Ų128.255%0.54568%0.683SS.*  trans64.8114.8145.665.20000119.4
738L23.2Very low25.1Very low160 Ų160127.5 Ų127.584%0.83867%0.672SS**  -157.1165.197.5-130.872.1000113.1
739Y24.4Very low25.1Very low214 Ų214127.4 Ų127.484%0.83968%0.675SS**  trans-72.6172172.1-89.6-96.2000111.5
740P26.3Very low25.3Very low111 Ų111127.3 Ų127.372%0.72168%0.678SS**  cis-141.7-17835.543.3-23.1000119
741S24.6Very low25.4Very low84 Ų84124.1 Ų124.159%0.58767%0.67SS**  trans-75.9150.5177.4510000114.5
742H30.3Very low25.6Very low184 Ų184126.6 Ų126.685%0.85268%0.678SS**  trans-121.865.2151.1-81.2-91.7000110.6
743H27.2Very low25.5Very low170 Ų170126.8 Ų126.879%0.78768%0.684SS**  trans-80.3158.5138.2-92.7-76.6000107.6
744S26.2Very low25.4Very low58 Ų58127.9 Ų127.941%0.40669%0.687SS.*  trans75.2116.1176.777.40000117.7I748S744-I748 VanDerWaalsContact CB-CG1 3.46Å; S744-I748 WeakPolarHBondContact OG-CD1 3.35Å
745E25.5Very low25.4Very low173 Ų173128 Ų12881%0.80870%0.696SS**SBend-144.9-33.7128.3-136.1158-133.700111.4
746I26.2Very low25.4Very low165 Ų165127.9 Ų127.985%0.84670%0.7SS**THydrogen-bonded Turntrans-80.2-14.6173.9-62.9179000113.6
747S28.6Very low25.5Very low88 Ų88132.8 Ų132.862%0.61572%0.716SS**THydrogen-bonded Turntrans-104.74.2-177.3-46.60000115.8N751S747-N751 PolarHBondContact O-ND2 2.91Å
748I25.7Very low25.6Very low74 Ų74135.5 Ų135.538%0.37972%0.724SS.*THydrogen-bonded Turntrans-117-11.6-176.4-78.3-164.3000114.7S744 I750 N751 N752S744-I748 VanDerWaalsContact CB-CG1 3.46Å; S744-I748 WeakPolarHBondContact OG-CD1 3.35Å; I748-I750 PolarHBondContact O-N 2.86Å; I748-N751 PolarHBondContact O-N 3.41Å; I748-N752 VanDerWaalsContact CG2-ND2 3.32Å; I748-N752 WeakPolarHBondContact CG2-ND2 3.45Å
749L24.9Very low25.7Very low165 Ų165135.1 Ų135.186%0.86472%0.723SS**THydrogen-bonded Turntrans-72-8.8171.8-109.6168.5000114.7
750I27Very low25.7Very low153 Ų153129.5 Ų129.579%0.78572%0.715SS**THydrogen-bonded Turntrans-105.2-19.1176.8-65.5178000112.7I748I748-I750 PolarHBondContact O-N 2.86Å
751N26.7Very low25.6Very low115 Ų115133.8 Ų133.862%0.61572%0.718SS**THydrogen-bonded Turntrans-103.9-1.3-172.8-79.7-50.4000115.7S747 I748S747-N751 PolarHBondContact O-ND2 2.91Å; I748-N751 PolarHBondContact O-N 3.41Å
752N26.4Very low25.7Very low122 Ų122139.4 Ų139.465%0.65273%0.728SS**  trans-99.54.8-175.9-90.7-13000115.8I748 S754I748-N752 VanDerWaalsContact CG2-ND2 3.32Å; I748-N752 WeakPolarHBondContact CG2-ND2 3.45Å; N752-S754 VanDerWaalsContact C-N 3.27Å; N752-S754 PolarHBondContact O-N 3.17Å
753L24.4Very low25.4Very low181 Ų181135.4 Ų135.495%0.94872%0.72SS**  trans-91.853.4166.4-83.2172.3000111.6
754S23Very low25.4Very low95 Ų95133.6 Ų133.666%0.66472%0.723SS**  trans-115.762.4-178.6650000112.2N752N752-S754 VanDerWaalsContact C-N 3.27Å; N752-S754 PolarHBondContact O-N 3.17Å
755V24.2Very low25.3Very low130 Ų130139.4 Ų139.479%0.78874%0.744SS**  trans-125.8115.1175.3-179.30000112.2
756S23.5Very low25.3Very low100 Ų100136.2 Ų136.270%0.69974%0.741SS**  trans84.1126.2158.677.90000120.4
757Q25Very low25.5Very low169 Ų169135.1 Ų135.179%0.7974%0.742SS**  trans79.580.4148.2-64.5176.234.500120
758N24.1Very low25.4Very low135 Ų135141 Ų14172%0.72276%0.756SS**  58.1130.7113-58.3-8.7000120.5
759N25.1Very low25.6Very low152 Ų152141.6 Ų141.681%0.81377%0.767SS**  trans73.5147159.6-51-24.6000116
760S24.9Very low25.7Very low95 Ų95145.2 Ų145.266%0.66477%0.769SS**  cis-170.7126.6-21.949.70000110.6
761Y24.1Very low25.6Very low201 Ų201146.4 Ų146.479%0.78877%0.771SS**  trans65.7164.8161.8-78.9-114.4000119.2
762Y25.6Very low25.7Very low203 Ų203149.8 Ų149.880%0.79678%0.781SS**  trans75.1100.7161.6-63.6-64.8000121.4
763S24.6Very low25.6Very low99 Ų99149.9 Ų149.969%0.69279%0.786SS**  55.6129.4109.1-152.60000120.2E765S763-E765 PolarHBondContact O-N 3.3Å; S763-E765 VanDerWaalsContact O-N 3.09Å
764P26.7Very low25.9Very low132 Ų132148.5 Ų148.586%0.85778%0.778SS**SBendtrans-85.281.5-171.135.4-37.3000114.1
765E25.3Very low26.2Very low180 Ų180152 Ų15284%0.84178%0.784SS**  trans-156.970.8174-144.7170.4-139.500114.6S763S763-E765 PolarHBondContact O-N 3.3Å; S763-E765 VanDerWaalsContact O-N 3.09Å
766S25.3Very low26.3Very low106 Ų106151.9 Ų151.974%0.74178%0.783SS**  trans172.886.2153.838.90000115.6
767V29.7Very low26.5Very low142 Ų142156.6 Ų156.686%0.86179%0.794SS**  trans-133.672.6158.1-168.70000109.9
768K27.4Very low26.6Very low213 Ų213155.9 Ų155.993%0.92679%0.788SS**SBendtrans-14022.9175.8-123.8-179.1-174.61800112.6
769S29.4Very low26.7Very low86 Ų86156 Ų15660%0.60180%0.798SS**  trans-151.426-16267.80000115.1
770W27.7Very low26.7Very low241 Ų241155.8 Ų155.891%0.91379%0.792SS**  trans-115.226.6175.3-8363.2000112.6
771E25.2Very low26.8Very low177 Ų177156.5 Ų156.583%0.82780%0.798SS**  trans-72.9136.7154-66.7-173131.400109.7
772K27.1Very low26.8Very low186 Ų186152.2 Ų152.281%0.80980%0.797SS**SBendtrans80.1141.2173.4-54.1173.5178.9172.30117.9
773T25.7Very low26.8Very low124 Ų124148.5 Ų148.576%0.76180%0.799SS**  trans68.3133.1170.71.70000113.1
774I30.3Very low26.8Very low153 Ų153148.3 Ų148.379%0.78580%0.803SS**  cis-137.6126.325.9-67.2154.2000106.9
775E28.8Very low26.7Very low167 Ų167149.9 Ų149.978%0.7880%0.797SS**  73.285.565.4-142.9174.9-147.600116.4
776V26.2Very low26.8Very low128 Ų128146.8 Ų146.878%0.77679%0.785SS**  trans38.2117.1146.3-170.80000120.1
777Q28.4Very low26.8Very low200 Ų200147.9 Ų147.994%0.93578%0.778SS**  trans-137.9134134.8-149.3170.53000111
778K26.4Very low26.6Very low153 Ų153146.4 Ų146.467%0.66577%0.765SS**  trans-87.8146.4-175.9-74.1-177.7165.1-164.10112.5E780K778-E780 HydrophobicContact CD-CG 4.39Å; K778-E780 WeakPolarHBondContact CD-OE1 3.33Å; K778-E780 WeakPolarHBondContact CE-OE1 3.42Å; K778-E780 IonicContact NZ-OE1 2.77Å; K778-E780 PolarHBondContact NZ-OE1 3.41Å
779C25.8Very low26.7Very low138 Ų138144.4 Ų144.493%0.93276%0.759SS**  trans-136.9138141.4-115.60000108.3
780E25.4Very low26.6Very low147 Ų147146.4 Ų146.469%0.68777%0.767SS**  trans-117.1114.9-167.2-65.2179.7162.400112.2K778K778-E780 HydrophobicContact CD-CG 4.39Å; K778-E780 WeakPolarHBondContact CD-OE1 3.33Å; K778-E780 WeakPolarHBondContact CE-OE1 3.42Å; K778-E780 IonicContact NZ-OE1 2.77Å; K778-E780 PolarHBondContact NZ-OE1 3.41Å
781S28.5Very low26.6Very low111 Ų111140.4 Ų140.478%0.77676%0.759SS**  trans-160.7107.6152.752.50000112.5
782S23.7Very low26.7Very low111 Ų111139.6 Ų139.678%0.77676%0.755SS**  trans17.1103.8152.857.20000119.5
783C25Very low26.7Very low125 Ų125135 Ų13585%0.84574%0.744SS**  167.8147.8110.5-89.40000112.5K785C783-K785 PolarHBondContact O-N 2.85Å; C783-K785 VanDerWaalsContact O-N 3.14Å
784A25Very low26.8Very low94 Ų94136.5 Ų136.578%0.77775%0.748SS**  trans-11.593.2177.300000117.9I786A784-I786 PolarHBondContact O-N 3.18Å
785K24.2Very low26.8Very low166 Ų166134.8 Ų134.872%0.72274%0.744SS**  trans-81.5107.1170-164.8-173.2179.9-1530109.5C783 E787C783-K785 PolarHBondContact O-N 2.85Å; C783-K785 VanDerWaalsContact O-N 3.14Å; K785-E787 HydrophobicContact CD-CG 4.15Å; K785-E787 WeakPolarHBondContact CD-OE1 3.4Å; K785-E787 WeakPolarHBondContact CE-OE1 3.48Å; K785-E787 HydrophobicContact CG-CG 4.16Å; K785-E787 IonicContact NZ-OE1 2.74Å; K785-E787 PolarHBondContact NZ-OE1 2.87Å; K785-E787 PolarHBondContact O-N 3.46Å
786I27.9Very low26.7Very low115 Ų115134.9 Ų134.959%0.5975%0.749SS**  trans-78.999.6174.9-59.4177.8000108.4A784 L788A784-I786 PolarHBondContact O-N 3.18Å; I786-L788 VanDerWaalsContact C-N 3.33Å; I786-L788 HydrophobicContact CG2-CD1 4.18Å; I786-L788 HydrophobicContact CG2-CG 4.32Å; I786-L788 PolarHBondContact O-N 3.39Å
787E24.2Very low26.7Very low128 Ų128133.4 Ų133.460%0.59874%0.74SS**  trans-81.880.3178.2-62.6-164.6143.600111K785 H789K785-E787 HydrophobicContact CD-CG 4.15Å; K785-E787 WeakPolarHBondContact CD-OE1 3.4Å; K785-E787 WeakPolarHBondContact CE-OE1 3.48Å; K785-E787 HydrophobicContact CG-CG 4.16Å; K785-E787 IonicContact NZ-OE1 2.74Å; K785-E787 PolarHBondContact NZ-OE1 2.87Å; K785-E787 PolarHBondContact O-N 3.46Å; E787-H789 PolarHBondContact O-N 3.01Å
788L27.2Very low26.5Very low111 Ų111131 Ų13158%0.58173%0.733SS**  trans-64.493.4165.1-90144.3000109.7I786 T790 A932I786-L788 VanDerWaalsContact C-N 3.33Å; I786-L788 HydrophobicContact CG2-CD1 4.18Å; I786-L788 HydrophobicContact CG2-CG 4.32Å; I786-L788 PolarHBondContact O-N 3.39Å; L788-T790 PolarHBondContact O-N 2.75Å; L788-A932 HydrophobicContact CD1-CB 3.62Å
789H28.9Very low26.5Very low172 Ų172130.9 Ų130.980%0.79674%0.735SS**  trans-56.6124.1169.7-85.8-81.3000110.7E787 P791E787-H789 PolarHBondContact O-N 3.01Å; H789-P791 WeakPolarHBondContact O-CD 3.41Å
790T26.1Very low26.4Very low127 Ų127132.1 Ų132.178%0.77973%0.732SS**  trans-60.7122.7172.836.30000110.4L788 H792L788-T790 PolarHBondContact O-N 2.75Å; T790-H792 PolarHBondContact O-N 2.96Å
791P29.4Very low26.4Very low115 Ų115133.4 Ų133.475%0.74774%0.738SS**  trans-79.186.1179.431.9-33.7000110.1H789H789-P791 WeakPolarHBondContact O-CD 3.41Å
792H27.1Very low26.5Very low160 Ų160133 Ų13374%0.74174%0.742SS**  trans-61.5134.4165.2-154.4-69.9000108.7T790T790-H792 PolarHBondContact O-N 2.96Å
793P27.2Very low26.6Very low89 Ų89137.8 Ų137.858%0.57874%0.744SS**SBendtrans-62159.9165.327.8-33.8000110.1
794D27.3Very low26.6Very low156 Ų156139.7 Ų139.783%0.83474%0.74SS**  trans6461.6170.4-50.1-27.7000117
795T29.6Very low26.7Very low117 Ų117145.5 Ų145.572%0.71874%0.744SS**  trans-142.9106.7147.4-38.50000112.8V797T795-V797 HydrophobicContact CG2-CG2 3.81Å
796I26.2Very low27Very low169 Ų169144 Ų14487%0.86774%0.743SS**  trans-83.2115.6169.3-59.5169.9000108.3
797V27.1Very low27Very low97 Ų97150.4 Ų150.459%0.58876%0.76SS**  trans-139.6114.4163.7-156.20000111.3T795 H799T795-V797 HydrophobicContact CG2-CG2 3.81Å; V797-H799 VanDerWaalsContact CG1-ND1 3.27Å; V797-H799 WeakPolarHBondContact CG1-ND1 3.35Å
798N24Very low27Very low149 Ų149147.7 Ų147.780%0.79777%0.767SS**  trans-72.4123162-82.7-34000109.1
799H27.1Very low27Very low151 Ų151149.7 Ų149.770%0.69978%0.778SS**  trans-133.697.8159.3-88.987.8000110.6V797 E801V797-H799 VanDerWaalsContact CG1-ND1 3.27Å; V797-H799 WeakPolarHBondContact CG1-ND1 3.35Å; H799-E801 PolarHBondContact O-N 3.4Å; H799-E801 VanDerWaalsContact O-N 3.11Å
800N24.1Very low26.9Very low165 Ų165148.9 Ų148.988%0.88278%0.78SS**  trans-79.265.7165.8-79-27.3000109.8
801E25.3Very low27Very low173 Ų173149.6 Ų149.681%0.80878%0.779SS**  trans-156.893.5-178.8-120.7165.7-126.400113.4H799H799-E801 PolarHBondContact O-N 3.4Å; H799-E801 VanDerWaalsContact O-N 3.11Å
802A29.1Very low27Very low103 Ų103153.7 Ų153.785%0.85179%0.788SS**  trans-173.159.4162.200000111.9
803Y26.2Very low27.1Very low211 Ų211152 Ų15283%0.82779%0.788SS**  trans-71.6147.4170-106.8-104.2000111.1
804H25.6Very low27.1Very low165 Ų165157.3 Ų157.376%0.76480%0.803SS**  trans60.1108.6166.8-58.2-62.1000119.3
805Y26.8Very low27.1Very low217 Ų217158.1 Ų158.185%0.85181%0.806SS**  trans-144.9123.9134.4-122.1-90.5000110.5
806N31.5Very low27Very low133 Ų133155.8 Ų155.871%0.71181%0.805SS**  trans28.2107.1166.1-55.2-18.6000118.1
807R26.1Very low27Very low250 Ų250152.8 Ų152.894%0.94381%0.806SS**  45.283.954.6-161.2-171.8-162-171.47.1112.2
808G24.7Very low27.1Very low72 Ų72152.3 Ų152.374%0.74281%0.812SS**  trans-167.5-13.4-175.200000121.9
809N27.9Very low27.7Very low152 Ų152148.2 Ų148.281%0.81380%0.795SS**  trans-158.3114.9167.3-138.9-9.6000113.9
810N27Very low28.5Very low155 Ų155143.4 Ų143.483%0.82978%0.776SS**  trans-95.993.7171.2-70.3-2000108.4
811N27.7Very low29.3Very low142 Ų142140.8 Ų140.876%0.75977%0.766SS**  trans178.387.9159.6-93.1-25.1000110
812H30.1Very low30.1Very low202 Ų202137.5 Ų137.594%0.93575%0.754SS**  trans-164.4124.4140.7-94.9-59.8000109
813T27.7Very low30.6Very low123 Ų123135.7 Ų135.776%0.75573%0.73SS**  trans-80.7142.8-165.643.80000114.3
814K27.2Very low31.2Very low202 Ų202129.3 Ų129.388%0.87871%0.714SS**  trans47.276.7150.5-63.6-174.3173.4-174.80117.3
815L28.6Very low32.1Very low172 Ų172128 Ų12890%0.90171%0.713SS**  trans-10790137.2-96.981.2000108
816G26.3Very low32.7Very low69 Ų69123.2 Ų123.271%0.71171%0.711SS**  trans-102.6108.4177.700000110.5A818G816-A818 VanDerWaalsContact C-N 3.32Å; G816-A818 PolarHBondContact O-N 3.11Å
817A26.9Very low33.3Very low106 Ų106120.5 Ų120.588%0.87670%0.703SS**  trans37.950.1160.100000116.5S819A817-S819 PolarHBondContact O-N 3.08Å
818A29.7Very low34Very low86 Ų86112.3 Ų112.371%0.71168%0.677SS**  trans-65.3122.6170.500000109.2G816G816-A818 VanDerWaalsContact C-N 3.32Å; G816-A818 PolarHBondContact O-N 3.11Å
819S36.3Very low35.1Very low64 Ų64113.8 Ų113.845%0.44867%0.672SS.*  trans-66.9146.3174.5250000110.8A817 T821 D822A817-S819 PolarHBondContact O-N 3.08Å; S819-T821 VanDerWaalsContact CB-OG1 3.32Å; S819-T821 WeakPolarHBondContact CB-OG1 3.41Å; S819-T821 PolarHBondContact O-N 3.34Å; S819-T821 PolarHBondContact OG-OG1 3.44Å; S819-D822 WeakPolarHBondContact CB-OD2 3.47Å; S819-D822 PolarHBondContact O-N 3.42Å; S819-D822 PolarHBondContact OG-OD2 2.98Å
820V43.1Very low36.4Very low50 Ų50111.2 Ų111.230%0.30366%0.658SS.*G310 helixtrans-61.4-13.1-178.8-179.10000112.4D822V820-D822 VanDerWaalsContact C-N 3.32Å
821T41.9Very low37.7Very low110 Ų110107.8 Ų107.868%0.67564%0.637SS**G310 helixtrans-70.3-17.6172.338.90000115.1S819S819-T821 VanDerWaalsContact CB-OG1 3.32Å; S819-T821 WeakPolarHBondContact CB-OG1 3.41Å; S819-T821 PolarHBondContact O-N 3.34Å; S819-T821 PolarHBondContact OG-OG1 3.44Å
822D41.7Very low39Very low104 Ų104105.5 Ų105.556%0.55663%0.63SS**G310 helixtrans-117.621.6-162.1-55.8-86.1000113.8S819 V820 P824S819-D822 WeakPolarHBondContact CB-OD2 3.47Å; S819-D822 PolarHBondContact O-N 3.42Å; S819-D822 PolarHBondContact OG-OD2 2.98Å; V820-D822 VanDerWaalsContact C-N 3.32Å; D822-P824 WeakPolarHBondContact O-CD 3.45Å
823L40.1Very low40.6Very low65 Ų6599 Ų9934%0.3460%0.602SS.*  trans-80.8116.1174.9-84.666000109.8L828 L837L823-L828 HydrophobicContact CB-CD1 3.71Å; L823-L828 HydrophobicContact CD2-CD1 3.92Å; L823-L828 HydrophobicContact CG-CD1 3.76Å; L823-L837 HydrophobicContact CD2-CD1 4.46Å; L823-L837 HydrophobicContact CD2-CD2 4.31Å
824P39.3Very low42.5Very low77 Ų7793.7 Ų93.750%0.557%0.569SS.*  trans-72.5134179.629.2-34.4000111.7D822 S826D822-P824 WeakPolarHBondContact O-CD 3.45Å; P824-S826 PolarHBondContact O-N 3.39Å
825D42.8Very low44.6Very low138 Ų13888.8 Ų88.874%0.73855%0.551SS**THydrogen-bonded Turntrans-63.719.9-172.8-77.1-60.8000116.5K909D825-K909 IonicContact OD1-NZ 3.88Å; D825-K909 PolarHBondContact OD1-NZ 3.03Å
826S40.8Very low46.7Very low116 Ų11684.2 Ų84.281%0.81153%0.532SS*.THydrogen-bonded Turntrans-147.94.2-170.862.40000117.8P824P824-S826 PolarHBondContact O-N 3.39Å
827S43.6Very low49Very low76 Ų7682.3 Ų82.353%0.53151%0.506SS..SBendtrans-131.73-172.271.80000117.5
828L40.7Very low51.4Low77 Ų7778.2 Ų78.240%0.40347%0.469SS..  trans-106.964.9-167.2-77.1141.4000113.4L823 D833L823-L828 HydrophobicContact CB-CD1 3.71Å; L823-L828 HydrophobicContact CD2-CD1 3.92Å; L823-L828 HydrophobicContact CG-CD1 3.76Å; L828-D833 HydrophobicContact CD2-CB 4.46Å
829V48.7Very low53.6Low104 Ų10476.8 Ų76.863%0.6345%0.452SS*.  trans-12854.9169.9-163.40000110.6
830N54.5Low55.6Low97 Ų9776 Ų7652%0.51945%0.446SS..  trans-116.9121.2164-73.7-49.3000109P832 D833N830-P832 VanDerWaalsContact C-N 3.32Å; N830-P832 HydrophobicContact CB-CG 4.12Å; N830-D833 WeakPolarHBondContact CB-OD2 3.3Å; N830-D833 PolarHBondContact O-N 2.85Å
831E53.2Low57.4Low83 Ų8373.6 Ų73.639%0.38843%0.431SS..Hα-helixtrans-45-41.3174.7-163.8167.5-136.700115.3D833 I834 L925 L929E831-D833 VanDerWaalsContact C-N 3.26Å; E831-D833 PolarHBondContact O-N 2.98Å; E831-I834 PolarHBondContact O-N 3.04Å; E831-L925 WeakPolarHBondContact OE1-CD2 3.27Å; E831-L925 WeakPolarHBondContact OE2-CD2 3.49Å; E831-L929 HydrophobicContact CG-CD2 4.44Å
832P56.2Low59.3Low95 Ų9576.3 Ų76.362%0.61743%0.429SS*.Hα-helixtrans-63.8-19.3176.223.6-36.6000116N830 P836N830-P832 VanDerWaalsContact C-N 3.32Å; N830-P832 HydrophobicContact CB-CG 4.12Å; P832-P836 WeakPolarHBondContact O-CD 3.3Å; P832-P836 WeakPolarHBondContact O-CG 3.48Å
833D63.8Low61.1Low64 Ų6480.1 Ų80.134%0.34244%0.436SS..Hα-helixtrans-84.8-19.3-177.4-63-35.9000112.6L828 N830 E831 P836 L837L828-D833 HydrophobicContact CD2-CB 4.46Å; N830-D833 WeakPolarHBondContact CB-OD2 3.3Å; N830-D833 PolarHBondContact O-N 2.85Å; E831-D833 VanDerWaalsContact C-N 3.26Å; E831-D833 PolarHBondContact O-N 2.98Å; D833-P836 WeakPolarHBondContact O-CD 3.49Å; D833-L837 PolarHBondContact O-N 2.79Å
834I67.4Low63.1Low13 Ų1379.6 Ų79.67%0.06743%0.433CS..Hα-helixtrans-70.6-46-177.4-57.5172.8000111.1E831 L837 L838 F914 L929 L933E831-I834 PolarHBondContact O-N 3.04Å; I834-L837 WeakPolarHBondContact O-CB 3.5Å; I834-L837 PolarHBondContact O-N 2.92Å; I834-L837 VanDerWaalsContact O-N 3.13Å; I834-L838 HydrophobicContact CG2-CD1 3.93Å; I834-L838 HydrophobicContact CG2-CG 4.17Å; I834-L838 WeakPolarHBondContact O-CG 3.5Å; I834-L838 PolarHBondContact O-N 3.39Å; I834-F914 HydrophobicContact CD1-CE2 3.72Å; I834-F914 HydrophobicContact CD1-CZ 3.74Å; I834-L929 HydrophobicContact CD1-CD1 4.06Å; I834-L929 HydrophobicContact CD1-CD2 3.92Å; I834-L929 HydrophobicContact CG2-CD1 4.39Å; I834-L933 HydrophobicContact CG2-CD2 4.03Å
835L70.5Confident65.2Low98 Ų9876 Ų7651%0.51341%0.41SS..Hα-helixtrans-63.7-41.7-177.6-177.865.4000113.2T839L835-T839 VanDerWaalsContact O-CB 3.28Å; L835-T839 WeakPolarHBondContact O-CB 3.39Å; L835-T839 PolarHBondContact O-N 3.46Å; L835-T839 PolarHBondContact O-OG1 3.38Å
836P73.6Confident67.1Low77 Ų7773.9 Ų73.950%0.540%0.398SS..Hα-helixtrans-56.2-44.3167.3-27.735.3000113.8P832 D833 T839 S840P832-P836 WeakPolarHBondContact O-CD 3.3Å; P832-P836 WeakPolarHBondContact O-CG 3.48Å; D833-P836 WeakPolarHBondContact O-CD 3.49Å; P836-T839 WeakPolarHBondContact O-CB 3.23Å; P836-T839 PolarHBondContact O-N 3.2Å; P836-S840 PolarHBondContact O-N 3.19Å
837L75.2Confident69.2Low29 Ų2971.5 Ų71.515%0.15238%0.38CS..Hα-helixtrans-64.2-49.3-179.2-179.959.8000111.9L823 D833 I834 T839 S840 I841 T906 L910L823-L837 HydrophobicContact CD2-CD1 4.46Å; L823-L837 HydrophobicContact CD2-CD2 4.31Å; D833-L837 PolarHBondContact O-N 2.79Å; I834-L837 WeakPolarHBondContact O-CB 3.5Å; I834-L837 PolarHBondContact O-N 2.92Å; I834-L837 VanDerWaalsContact O-N 3.13Å; L837-T839 VanDerWaalsContact C-N 3.26Å; L837-T839 PolarHBondContact O-N 2.93Å; L837-S840 WeakPolarHBondContact O-CB 3.21Å; L837-S840 PolarHBondContact O-N 3.28Å; L837-S840 VanDerWaalsContact O-N 3.11Å; L837-I841 HydrophobicContact CD1-CD1 4.33Å; L837-I841 HydrophobicContact CG-CD1 4.32Å; L837-I841 WeakPolarHBondContact O-CG1 3.42Å; L837-I841 PolarHBondContact O-N 3.37Å; L837-T906 HydrophobicContact CD2-CG2 4.31Å; L837-L910 HydrophobicContact CD2-CD1 4.04Å
838L77.3Confident71.2Confident20 Ų2067.9 Ų67.911%0.10535%0.354CS..Hα-helixtrans-58.8-39.1173.9-63.8176.9000111.7I834 R842 M907 L933 F936I834-L838 HydrophobicContact CG2-CD1 3.93Å; I834-L838 HydrophobicContact CG2-CG 4.17Å; I834-L838 WeakPolarHBondContact O-CG 3.5Å; I834-L838 PolarHBondContact O-N 3.39Å; L838-R842 WeakPolarHBondContact O-CB 3.27Å; L838-R842 PolarHBondContact O-N 3.33Å; L838-M907 HydrophobicContact CD2-CE 3.62Å; L838-M907 HydrophobicContact CD2-SD 3.76Å; L838-L933 HydrophobicContact CD1-CD2 4.36Å; L838-L933 HydrophobicContact CD2-CD2 4.38Å; L838-F936 HydrophobicContact CB-CD2 4.44Å; L838-F936 HydrophobicContact CB-CE2 4.15Å; L838-F936 HydrophobicContact CB-CZ 4.4Å; L838-F936 HydrophobicContact CD2-CB 4.33Å; L838-F936 HydrophobicContact CD2-CD1 3.58Å; L838-F936 HydrophobicContact CD2-CD2 4Å; L838-F936 HydrophobicContact CD2-CE1 3.73Å; L838-F936 HydrophobicContact CD2-CE2 4.14Å; L838-F936 HydrophobicContact CD2-CG 3.71Å; L838-F936 HydrophobicContact CD2-CZ 4.01Å
839T75.9Confident73.2Confident56 Ų5665.9 Ų65.934%0.34435%0.346SS..Hα-helixtrans-67.3-35.5176.3-58.70000112.2L835 P836 L837 R843L835-T839 VanDerWaalsContact O-CB 3.28Å; L835-T839 WeakPolarHBondContact O-CB 3.39Å; L835-T839 PolarHBondContact O-N 3.46Å; L835-T839 PolarHBondContact O-OG1 3.38Å; P836-T839 WeakPolarHBondContact O-CB 3.23Å; P836-T839 PolarHBondContact O-N 3.2Å; L837-T839 VanDerWaalsContact C-N 3.26Å; L837-T839 PolarHBondContact O-N 2.93Å; T839-R843 VanDerWaalsContact O-CG 3.29Å; T839-R843 WeakPolarHBondContact O-CG 3.46Å; T839-R843 PolarHBondContact O-N 2.97Å; T839-R843 VanDerWaalsContact O-N 3.12Å
840S78.2Confident74.8Confident47 Ų4767.5 Ų67.533%0.32934%0.344SS..Hα-helixtrans-66.6-51.3175-159.70000111.1P836 L837 R842 R843 D844P836-S840 PolarHBondContact O-N 3.19Å; L837-S840 WeakPolarHBondContact O-CB 3.21Å; L837-S840 PolarHBondContact O-N 3.28Å; L837-S840 VanDerWaalsContact O-N 3.11Å; S840-R842 VanDerWaalsContact C-N 3.29Å; S840-R842 PolarHBondContact O-N 3.02Å; S840-R843 WeakPolarHBondContact O-CA 3.24Å; S840-R843 WeakPolarHBondContact O-CB 3.42Å; S840-R843 PolarHBondContact O-N 2.93Å; S840-D844 PolarHBondContact O-N 3.04Å
841I80.8Confident76.1Confident0 Ų063.8 Ų63.80%032%0.324CS..Hα-helixtrans-57-43.7178.3-64.8168.3000110.6L837 R843 D844 A845 W903 M907 F936 L940L837-I841 HydrophobicContact CD1-CD1 4.33Å; L837-I841 HydrophobicContact CG-CD1 4.32Å; L837-I841 WeakPolarHBondContact O-CG1 3.42Å; L837-I841 PolarHBondContact O-N 3.37Å; I841-R843 VanDerWaalsContact C-N 3.29Å; I841-R843 PolarHBondContact O-N 3.47Å; I841-D844 PolarHBondContact O-N 3.08Å; I841-A845 VanDerWaalsContact O-CB 3.28Å; I841-A845 WeakPolarHBondContact O-CB 3.49Å; I841-A845 PolarHBondContact O-N 2.92Å; I841-W903 HydrophobicContact CG1-CG 4.42Å; I841-W903 HydrophobicContact CG2-CB 4.15Å; I841-W903 HydrophobicContact CG2-CD2 3.8Å; I841-W903 HydrophobicContact CG2-CE3 4.29Å; I841-W903 HydrophobicContact CG2-CG 3.72Å; I841-M907 HydrophobicContact CD1-CE 3.59Å; I841-F936 HydrophobicContact CB-CE1 4.36Å; I841-F936 HydrophobicContact CB-CZ 3.96Å; I841-F936 HydrophobicContact CG2-CE1 3.93Å; I841-F936 HydrophobicContact CG2-CZ 3.76Å; I841-L940 HydrophobicContact CG2-CD2 4.47Å
842R80.3Confident77.5Confident166 Ų16659.9 Ų59.963%0.62631%0.306SS*.Hα-helixtrans-63.4-30.6175.9-173.4174.5176.4177.70.5113.5L838 S840 F936L838-R842 WeakPolarHBondContact O-CB 3.27Å; L838-R842 PolarHBondContact O-N 3.33Å; S840-R842 VanDerWaalsContact C-N 3.29Å; S840-R842 PolarHBondContact O-N 3.02Å; R842-F936 HydrophobicContact CB-CE2 4.45Å
843R80.8Confident78.4Confident185 Ų18558.9 Ų58.970%0.69830%0.295SS*.Hα-helixtrans-76-44.5174.2-75.3172.1176.9-171.30.1111.7T839 S840 I841 A845 L846T839-R843 VanDerWaalsContact O-CG 3.29Å; T839-R843 WeakPolarHBondContact O-CG 3.46Å; T839-R843 PolarHBondContact O-N 2.97Å; T839-R843 VanDerWaalsContact O-N 3.12Å; S840-R843 WeakPolarHBondContact O-CA 3.24Å; S840-R843 WeakPolarHBondContact O-CB 3.42Å; S840-R843 PolarHBondContact O-N 2.93Å; I841-R843 VanDerWaalsContact C-N 3.29Å; I841-R843 PolarHBondContact O-N 3.47Å; R843-A845 VanDerWaalsContact C-N 3.27Å; R843-A845 PolarHBondContact O-N 2.94Å; R843-L846 VanDerWaalsContact O-CB 3.27Å; R843-L846 WeakPolarHBondContact O-CB 3.4Å; R843-L846 PolarHBondContact O-N 3.15Å; R843-L846 VanDerWaalsContact O-N 3.13Å
844D82.1Confident79Confident54 Ų5460.1 Ų60.129%0.28930%0.295SS..Hα-helixtrans-67.2-27.5-179.9-66.9-41.2000112.9S840 I841 P847 Y896 W903S840-D844 PolarHBondContact O-N 3.04Å; I841-D844 PolarHBondContact O-N 3.08Å; D844-P847 WeakPolarHBondContact O-CD 3.22Å; D844-Y896 WeakPolarHBondContact O-CE1 3.43Å; D844-Y896 PolarHBondContact O-OH 3.02Å; D844-W903 HydrophobicContact CB-CH2 4.28Å; D844-W903 HydrophobicContact CB-CZ2 3.64Å
845A83.4Confident79.2Confident0 Ų061 Ų610%030%0.3CS..THydrogen-bonded Turntrans-76.8-18.4173.300000114.3I841 R843 P847 L848 T849 W903 W939 L943I841-A845 VanDerWaalsContact O-CB 3.28Å; I841-A845 WeakPolarHBondContact O-CB 3.49Å; I841-A845 PolarHBondContact O-N 2.92Å; R843-A845 VanDerWaalsContact C-N 3.27Å; R843-A845 PolarHBondContact O-N 2.94Å; A845-P847 VanDerWaalsContact C-CD 3.46Å; A845-L848 WeakPolarHBondContact O-CA 3.44Å; A845-L848 WeakPolarHBondContact O-CB 3.43Å; A845-L848 PolarHBondContact O-N 3.16Å; A845-T849 PolarHBondContact O-N 2.72Å; A845-T849 PolarHBondContact O-OG1 3.32Å; A845-W903 HydrophobicContact CB-CH2 3.9Å; A845-W903 HydrophobicContact CB-CZ3 3.81Å; A845-W939 HydrophobicContact CB-CH2 3.76Å; A845-W939 HydrophobicContact CB-CZ2 4.44Å; A845-L943 HydrophobicContact CB-CD2 4.07Å
846L81.9Confident79.1Confident94 Ų9460.3 Ų60.349%0.49229%0.294SS..Hα-helixtrans-56.3-38.7-174.3-176.663.8000114.5R843 T849 K850R843-L846 VanDerWaalsContact O-CB 3.27Å; R843-L846 WeakPolarHBondContact O-CB 3.4Å; R843-L846 PolarHBondContact O-N 3.15Å; R843-L846 VanDerWaalsContact O-N 3.13Å; L846-T849 PolarHBondContact O-N 3.05Å; L846-K850 WeakPolarHBondContact O-CG 3.35Å; L846-K850 PolarHBondContact O-N 2.76Å; L846-K850 VanDerWaalsContact O-N 3.14Å
847P84.4Confident78.4Confident66 Ų6663.8 Ų63.843%0.42930%0.303SS..Hα-helixtrans-70.6-32.2176-15.831.3000112.7D844 A845 K850 L851 Y896D844-P847 WeakPolarHBondContact O-CD 3.22Å; A845-P847 VanDerWaalsContact C-CD 3.46Å; P847-K850 PolarHBondContact O-N 3.48Å; P847-L851 PolarHBondContact O-N 3.04Å; P847-Y896 WeakPolarHBondContact CB-OH 3.43Å; P847-Y896 WeakPolarHBondContact CG-OH 3.45Å
848L86.2Confident77.4Confident0 Ų067.9 Ų67.90%032%0.32CS..Hα-helixtrans-63.8-48.1172172.463.7000110.5A845 K850 L851 L852 L893 Y896 L900 L943A845-L848 WeakPolarHBondContact O-CA 3.44Å; A845-L848 WeakPolarHBondContact O-CB 3.43Å; A845-L848 PolarHBondContact O-N 3.16Å; L848-K850 PolarHBondContact O-N 3.48Å; L848-L851 WeakPolarHBondContact O-CB 3.38Å; L848-L851 PolarHBondContact O-N 3.22Å; L848-L852 HydrophobicContact CD1-CD1 4.01Å; L848-L852 HydrophobicContact CD1-CD2 4.3Å; L848-L852 HydrophobicContact CD1-CG 3.94Å; L848-L852 HydrophobicContact CG-CD1 3.94Å; L848-L852 HydrophobicContact CG-CG 4.29Å; L848-L852 WeakPolarHBondContact O-CG 3.17Å; L848-L852 PolarHBondContact O-N 2.68Å; L848-L893 HydrophobicContact CD1-CD2 4.2Å; L848-Y896 HydrophobicContact CB-CD1 3.78Å; L848-Y896 HydrophobicContact CB-CD2 4.1Å; L848-Y896 HydrophobicContact CB-CE1 3.96Å; L848-Y896 HydrophobicContact CB-CE2 4.26Å; L848-Y896 HydrophobicContact CB-CG 3.86Å; L848-Y896 HydrophobicContact CD1-CD2 4.4Å; L848-Y896 HydrophobicContact CD1-CG 4.11Å; L848-Y896 HydrophobicContact CD2-CD1 4.18Å; L848-Y896 HydrophobicContact CD2-CG 4.3Å; L848-Y896 HydrophobicContact CG-CD1 4.43Å; L848-Y896 HydrophobicContact CG-CG 4.3Å; L848-L900 HydrophobicContact CD2-CD1 3.88Å; L848-L900 HydrophobicContact CD2-CD2 4.23Å; L848-L900 HydrophobicContact CD2-CG 4.12Å; L848-L943 HydrophobicContact CD2-CD1 4.13Å; L848-L943 HydrophobicContact CD2-CD2 4.09Å; L848-L943 HydrophobicContact CD2-CG 3.98Å; L848-L943 HydrophobicContact CG-CD1 4.4Å
849T82.4Confident75.7Confident36 Ų3671.1 Ų71.122%0.22134%0.344CS..Hα-helixtrans-58.8-37.9177.7-48.20000111.7A845 L846 L853A845-T849 PolarHBondContact O-N 2.72Å; A845-T849 PolarHBondContact O-OG1 3.32Å; L846-T849 PolarHBondContact O-N 3.05Å; T849-L853 HydrophobicContact CG2-CD1 4.33Å; T849-L853 WeakPolarHBondContact O-CB 3.3Å; T849-L853 VanDerWaalsContact O-CG 3.29Å; T849-L853 WeakPolarHBondContact O-CG 3.46Å; T849-L853 PolarHBondContact O-N 2.9Å
850K82.5Confident73.8Confident137 Ų13771.3 Ų71.360%0.59635%0.345SS*.Hα-helixtrans-67.6-37.2173.7-73.1179.3176.8-174.80113.2L846 P847 L848 R854L846-K850 WeakPolarHBondContact O-CG 3.35Å; L846-K850 PolarHBondContact O-N 2.76Å; L846-K850 VanDerWaalsContact O-N 3.14Å; P847-K850 PolarHBondContact O-N 3.48Å; L848-K850 PolarHBondContact O-N 3.48Å; K850-R854 VanDerWaalsContact O-CB 3.31Å; K850-R854 WeakPolarHBondContact O-CB 3.36Å; K850-R854 PolarHBondContact O-N 3.32Å
851L81.8Confident71.7Confident20 Ų2073.4 Ų73.411%0.10536%0.356CS..Hα-helixtrans-66.9-44175.2179.960.9000111.4P847 L848 R854 L855 D889 L893P847-L851 PolarHBondContact O-N 3.04Å; L848-L851 WeakPolarHBondContact O-CB 3.38Å; L848-L851 PolarHBondContact O-N 3.22Å; L851-R854 PolarHBondContact O-N 2.78Å; L851-L855 HydrophobicContact CD1-CD1 4.16Å; L851-L855 HydrophobicContact CD1-CG 4.32Å; L851-L855 HydrophobicContact CG-CD1 4.03Å; L851-L855 WeakPolarHBondContact O-CG 3.38Å; L851-L855 PolarHBondContact O-N 3.35Å; L851-D889 HydrophobicContact CD1-CB 4.5Å; L851-L893 HydrophobicContact CD2-CD2 4.11Å; L851-L893 HydrophobicContact CD2-CG 4.11Å
852L82Confident69.6Low0 Ų075.7 Ų75.70%038%0.38CS..Hα-helixtrans-61.6-49.9176.9-65.2172.4000111.2L848 R854 L855 E856 L893 L943 R946 A950L848-L852 HydrophobicContact CD1-CD1 4.01Å; L848-L852 HydrophobicContact CD1-CD2 4.3Å; L848-L852 HydrophobicContact CD1-CG 3.94Å; L848-L852 HydrophobicContact CG-CD1 3.94Å; L848-L852 HydrophobicContact CG-CG 4.29Å; L848-L852 WeakPolarHBondContact O-CG 3.17Å; L848-L852 PolarHBondContact O-N 2.68Å; L852-R854 VanDerWaalsContact C-N 3.31Å; L852-R854 PolarHBondContact O-N 3.11Å; L852-L855 PolarHBondContact O-N 2.95Å; L852-E856 WeakPolarHBondContact O-CB 3.36Å; L852-E856 VanDerWaalsContact O-CG 3.24Å; L852-E856 WeakPolarHBondContact O-CG 3.43Å; L852-E856 PolarHBondContact O-N 3.14Å; L852-L893 HydrophobicContact CD2-CD2 4.18Å; L852-L943 HydrophobicContact CD1-CD1 3.68Å; L852-R946 HydrophobicContact CD1-CB 3.99Å; L852-A950 HydrophobicContact CD2-CB 3.47Å; L852-A950 VanDerWaalsContact CD2-CB 3.47Å
853L75.7Confident67.7Low74 Ų7469.5 Ų69.539%0.38736%0.359SS..Hα-helixtrans-56.2-44.2174-72.7168000111.9T849 L855 E856 E857T849-L853 HydrophobicContact CG2-CD1 4.33Å; T849-L853 WeakPolarHBondContact O-CB 3.3Å; T849-L853 VanDerWaalsContact O-CG 3.29Å; T849-L853 WeakPolarHBondContact O-CG 3.46Å; T849-L853 PolarHBondContact O-N 2.9Å; L853-L855 VanDerWaalsContact C-N 3.31Å; L853-L855 PolarHBondContact O-N 3.49Å; L853-E856 PolarHBondContact O-N 3.32Å; L853-E857 VanDerWaalsContact O-CB 3.3Å; L853-E857 WeakPolarHBondContact O-CB 3.37Å; L853-E857 VanDerWaalsContact O-CG 3.27Å; L853-E857 WeakPolarHBondContact O-CG 3.5Å; L853-E857 PolarHBondContact O-N 3.42Å
854R76.2Confident65.7Low90 Ų9066.5 Ų66.534%0.3436%0.356SS..Hα-helixtrans-63.4-33176.5171.2179.5147146.7-1.1113.3K850 L851 L852 K858 Q885 D889K850-R854 VanDerWaalsContact O-CB 3.31Å; K850-R854 WeakPolarHBondContact O-CB 3.36Å; K850-R854 PolarHBondContact O-N 3.32Å; L851-R854 PolarHBondContact O-N 2.78Å; L852-R854 VanDerWaalsContact C-N 3.31Å; L852-R854 PolarHBondContact O-N 3.11Å; R854-K858 HydrophobicContact CG-CD 4.23Å; R854-K858 VanDerWaalsContact O-CB 3.26Å; R854-K858 WeakPolarHBondContact O-CB 3.26Å; R854-K858 VanDerWaalsContact O-CG 3.27Å; R854-K858 WeakPolarHBondContact O-CG 3.28Å; R854-K858 PolarHBondContact O-N 3.22Å; R854-Q885 VanDerWaalsContact NH2-NE2 3.17Å; R854-D889 IonicContact NH2-OD2 2.64Å
855L72.4Confident63.6Low33 Ų3370.7 Ų70.717%0.17338%0.379CS..Hα-helixtrans-78.5-32.6177.5-71.6169.3000112L851 L852 L853 D889 L893 A950 V954L851-L855 HydrophobicContact CD1-CD1 4.16Å; L851-L855 HydrophobicContact CD1-CG 4.32Å; L851-L855 HydrophobicContact CG-CD1 4.03Å; L851-L855 WeakPolarHBondContact O-CG 3.38Å; L851-L855 PolarHBondContact O-N 3.35Å; L852-L855 PolarHBondContact O-N 2.95Å; L853-L855 VanDerWaalsContact C-N 3.31Å; L853-L855 PolarHBondContact O-N 3.49Å; L855-D889 HydrophobicContact CD2-CB 4.42Å; L855-L893 HydrophobicContact CD1-CD1 4Å; L855-A950 HydrophobicContact CD1-CB 4.11Å; L855-V954 HydrophobicContact CD1-CG2 4.31Å; L855-V954 HydrophobicContact CD2-CG2 4.13Å
856E67.3Low61.2Low82 Ų8273 Ų7338%0.38340%0.395SS..Hα-helixtrans-73-43.3174.7-68.7157.4-168.100111.7L852 L853 K858 R946L852-E856 WeakPolarHBondContact O-CB 3.36Å; L852-E856 VanDerWaalsContact O-CG 3.24Å; L852-E856 WeakPolarHBondContact O-CG 3.43Å; L852-E856 PolarHBondContact O-N 3.14Å; L853-E856 PolarHBondContact O-N 3.32Å; E856-K858 VanDerWaalsContact C-N 3.31Å; E856-K858 PolarHBondContact O-N 2.94Å; E856-R946 IonicContact OE1-CZ 2.66Å; E856-R946 VanDerWaalsContact OE1-CZ 3.24Å; E856-R946 IonicContact OE1-NE 3.34Å; E856-R946 PolarHBondContact OE1-NE 3.34Å; E856-R946 IonicContact OE1-NH2 3.41Å; E856-R946 PolarHBondContact OE1-NH2 3.49Å; E856-R946 IonicContact OE2-CZ 2.77Å; E856-R946 IonicContact OE2-NE 3.93Å; E856-R946 IonicContact OE2-NH2 3.76Å; E856-R946 PolarHBondContact OE2-NH2 2.9Å
857E60.3Low59Low151 Ų15175.8 Ų75.871%0.70641%0.41SS*.Hα-helixtrans-68-26.8175.7-73.7173.9-179.500113L853 S859L853-E857 VanDerWaalsContact O-CB 3.3Å; L853-E857 WeakPolarHBondContact O-CB 3.37Å; L853-E857 VanDerWaalsContact O-CG 3.27Å; L853-E857 WeakPolarHBondContact O-CG 3.5Å; L853-E857 PolarHBondContact O-N 3.42Å; E857-S859 PolarHBondContact O-N 3.42Å
858K54Low56.7Low114 Ų11477 Ų7750%0.49641%0.413SS..  trans-9865.6-178.3-67.7-172.4175.1-164.70112.9R854 E856 V860 R957R854-K858 HydrophobicContact CG-CD 4.23Å; R854-K858 VanDerWaalsContact O-CB 3.26Å; R854-K858 WeakPolarHBondContact O-CB 3.26Å; R854-K858 VanDerWaalsContact O-CG 3.27Å; R854-K858 WeakPolarHBondContact O-CG 3.28Å; R854-K858 PolarHBondContact O-N 3.22Å; E856-K858 VanDerWaalsContact C-N 3.31Å; E856-K858 PolarHBondContact O-N 2.94Å; K858-V860 PolarHBondContact O-N 3.29Å; K858-R957 PolarHBondContact O-NH2 2.87Å
859S40.8Very low54.5Low88 Ų8886.3 Ų86.362%0.61546%0.456SS*.  trans-65.1106.8151.446.70000108.9E857 T861E857-S859 PolarHBondContact O-N 3.42Å; S859-T861 VanDerWaalsContact C-N 3.27Å; S859-T861 PolarHBondContact O-N 3.46Å
860V36.5Very low52.5Low60 Ų6088.3 Ų88.336%0.36447%0.468SS..  trans-8372.2-173.6-175.30000110.3K858 G862 L863 R957K858-V860 PolarHBondContact O-N 3.29Å; V860-G862 VanDerWaalsContact C-N 3.31Å; V860-L863 HydrophobicContact CG1-CB 4.35Å; V860-R957 VanDerWaalsContact CG2-NH1 3.35Å
861T34.9Very low50.6Low91 Ų9186.6 Ų86.656%0.55847%0.465SS*.  trans-75.8-24.8159.751.10000111.4S859 L863 L864 D865S859-T861 VanDerWaalsContact C-N 3.27Å; S859-T861 PolarHBondContact O-N 3.46Å; T861-L863 PolarHBondContact O-N 3Å; T861-L864 PolarHBondContact O-N 3.12Å; T861-D865 PolarHBondContact O-N 3.19Å; T861-D865 VanDerWaalsContact O-N 3.11Å
862G35.6Very low48.8Very low49 Ų4990.2 Ų90.251%0.50548%0.482SS..THydrogen-bonded Turntrans-65.4-2.5-172.800000117.4V860V860-G862 VanDerWaalsContact C-N 3.31Å
863L40.4Very low47.3Very low36 Ų3695.8 Ų95.819%0.18851%0.512CS..THydrogen-bonded Turntrans-88.7-22167.7-135.285.4000112.9V860 T861 Y875 L879V860-L863 HydrophobicContact CG1-CB 4.35Å; T861-L863 PolarHBondContact O-N 3Å; L863-Y875 HydrophobicContact CD2-CE2 4.19Å; L863-Y875 HydrophobicContact CG-CE2 4.3Å; L863-L879 HydrophobicContact CD2-CD2 3.62Å
864L39.8Very low46Very low121 Ų12195.8 Ų95.863%0.63451%0.512SS*.THydrogen-bonded Turntrans-98.4-24.3178.4-65.9168.3000112.3T861 S866T861-L864 PolarHBondContact O-N 3.12Å; L864-S866 VanDerWaalsContact C-N 3.35Å; L864-S866 PolarHBondContact O-N 3.41Å
865D36.8Very low44.6Very low142 Ų14294.9 Ų94.976%0.75951%0.509SS*.SBendtrans-91.814.3-173.1-153.135.3000113.8T861T861-D865 PolarHBondContact O-N 3.19Å; T861-D865 VanDerWaalsContact O-N 3.11Å
866S34Very low43.8Very low49 Ų4996 Ų9634%0.34352%0.52SS..SBendtrans-118.7118.617668.90000111.2L864 L868L864-S866 VanDerWaalsContact C-N 3.35Å; L864-S866 PolarHBondContact O-N 3.41Å; S866-L868 PolarHBondContact O-N 3.46Å; S866-L868 VanDerWaalsContact O-N 3.08Å
867D34.6Very low43.6Very low152 Ų15297.5 Ų97.581%0.81353%0.527SS*.  trans-45.9111.6-177.5-72.7-60.6000112.9Q869D867-Q869 PolarHBondContact O-N 2.98Å
868L36.9Very low43.7Very low93 Ų9394.3 Ų94.349%0.48751%0.51SS..SBendtrans-78.958.9-176.1-95.2161.9000112.8S866 Y875S866-L868 PolarHBondContact O-N 3.46Å; S866-L868 VanDerWaalsContact O-N 3.08Å; L868-Y875 HydrophobicContact CD1-CE2 4.21Å; L868-Y875 HydrophobicContact CD2-CD2 3.82Å; L868-Y875 HydrophobicContact CD2-CE2 4.12Å; L868-Y875 HydrophobicContact CD2-CG 4.35Å
869Q40.9Very low44.1Very low194 Ų19491.5 Ų91.591%0.90750%0.5SS*.  trans-100.610158.6-65.7-167-5.100112.1D867D867-Q869 PolarHBondContact O-N 2.98Å
870V38.9Very low45.3Very low79 Ų7993.7 Ų93.748%0.47950%0.499SS..SBendtrans-105.5109.3-169.1-171.90000111.6L874V870-L874 HydrophobicContact CG1-CD2 3.53Å
871D43.9Very low47Very low100 Ų10094.3 Ų94.354%0.53550%0.5SS..  trans18.3110.6159.2-157.1-33.2000117.1N873 L874 Y875D871-N873 PolarHBondContact O-N 2.91Å; D871-N873 PolarHBondContact OD1-N 3.02Å; D871-N873 PolarHBondContact OD1-ND2 3.28Å; D871-L874 WeakPolarHBondContact O-CB 3.35Å; D871-L874 PolarHBondContact O-N 3.16Å; D871-Y875 PolarHBondContact O-N 2.96Å
872E42.5Very low48.5Very low96 Ų9691.7 Ų91.745%0.44948%0.481SS..Hα-helixtrans-54-31.5-176.5-61.9-161.798.500113.7L874 Y875 S876 S1096 N1099E872-L874 VanDerWaalsContact C-N 3.31Å; E872-L874 PolarHBondContact O-N 3.37Å; E872-Y875 PolarHBondContact O-N 3.13Å; E872-S876 PolarHBondContact O-N 3.31Å; E872-S1096 WeakPolarHBondContact OE1-CB 3.47Å; E872-S1096 PolarHBondContact OE1-OG 3.22Å; E872-N1099 PolarHBondContact OE1-ND2 3.08Å; E872-N1099 PolarHBondContact OE2-ND2 3.22Å
873N50.1Low50.3Low117 Ų11791.7 Ų91.763%0.62647%0.466SS*.Hα-helixtrans-61.6-41.7177.5-59.7-68.9000111.2D871 S876 Q877D871-N873 PolarHBondContact O-N 2.91Å; D871-N873 PolarHBondContact OD1-N 3.02Å; D871-N873 PolarHBondContact OD1-ND2 3.28Å; N873-S876 PolarHBondContact O-N 3.44Å; N873-Q877 WeakPolarHBondContact O-CB 3.29Å; N873-Q877 PolarHBondContact O-N 3.38Å
874L49.4Very low52.1Low74 Ų7497.7 Ų97.739%0.38749%0.487SS..Hα-helixtrans-68.2-36.1-180-166.975.6000111.6V870 D871 E872 K878V870-L874 HydrophobicContact CG1-CD2 3.53Å; D871-L874 WeakPolarHBondContact O-CB 3.35Å; D871-L874 PolarHBondContact O-N 3.16Å; E872-L874 VanDerWaalsContact C-N 3.31Å; E872-L874 PolarHBondContact O-N 3.37Å; L874-K878 WeakPolarHBondContact O-CB 3.48Å; L874-K878 VanDerWaalsContact O-CG 3.3Å; L874-K878 WeakPolarHBondContact O-CG 3.42Å; L874-K878 PolarHBondContact O-N 2.88Å
875Y47.2Very low53.8Low72 Ų7295 Ų9528%0.28247%0.471SS..Hα-helixtrans-69.6-43.9176.7-162.8-104.3000111.5L863 L868 D871 E872 Q877 K878 L879L863-Y875 HydrophobicContact CD2-CE2 4.19Å; L863-Y875 HydrophobicContact CG-CE2 4.3Å; L868-Y875 HydrophobicContact CD1-CE2 4.21Å; L868-Y875 HydrophobicContact CD2-CD2 3.82Å; L868-Y875 HydrophobicContact CD2-CE2 4.12Å; L868-Y875 HydrophobicContact CD2-CG 4.35Å; D871-Y875 PolarHBondContact O-N 2.96Å; E872-Y875 PolarHBondContact O-N 3.13Å; Y875-Q877 VanDerWaalsContact C-N 3.31Å; Y875-Q877 PolarHBondContact O-N 3.1Å; Y875-K878 PolarHBondContact O-N 3.29Å; Y875-L879 HydrophobicContact CD1-CD1 3.74Å; Y875-L879 HydrophobicContact CD1-CG 4.38Å; Y875-L879 HydrophobicContact CE1-CD1 3.67Å; Y875-L879 HydrophobicContact CE1-CD2 4.48Å; Y875-L879 HydrophobicContact CE1-CG 4.26Å; Y875-L879 WeakPolarHBondContact O-CG 3.45Å; Y875-L879 PolarHBondContact O-N 3.32Å; Y875-L879 VanDerWaalsContact O-N 3.08Å
876S54.9Low55.7Low57 Ų5788.6 Ų88.640%0.39944%0.436SS..Hα-helixtrans-60.2-40.7173.7-1700000112.1E872 N873 K880E872-S876 PolarHBondContact O-N 3.31Å; N873-S876 PolarHBondContact O-N 3.44Å; S876-K880 WeakPolarHBondContact O-CG 3.36Å; S876-K880 PolarHBondContact O-N 3.34Å; S876-K880 VanDerWaalsContact O-N 3.17Å
877Q63.3Low57.8Low113 Ų11389.5 Ų89.553%0.52844%0.437SS..Hα-helixtrans-66.2-47.7177-173167.8-0.500112.1N873 Y875 L879 K880 D881N873-Q877 WeakPolarHBondContact O-CB 3.29Å; N873-Q877 PolarHBondContact O-N 3.38Å; Y875-Q877 VanDerWaalsContact C-N 3.31Å; Y875-Q877 PolarHBondContact O-N 3.1Å; Q877-L879 VanDerWaalsContact C-N 3.31Å; Q877-L879 PolarHBondContact O-N 2.78Å; Q877-K880 PolarHBondContact O-N 2.92Å; Q877-K880 VanDerWaalsContact O-N 3.11Å; Q877-D881 PolarHBondContact O-N 3.03Å
878K62.3Low60Low83 Ų8386 Ų8636%0.36142%0.418SS..Hα-helixtrans-54.8-43.5175.4-78.4174.8176.8-177.20112.8L874 Y875 D881 E882L874-K878 WeakPolarHBondContact O-CB 3.48Å; L874-K878 VanDerWaalsContact O-CG 3.3Å; L874-K878 WeakPolarHBondContact O-CG 3.42Å; L874-K878 PolarHBondContact O-N 2.88Å; Y875-K878 PolarHBondContact O-N 3.29Å; K878-D881 PolarHBondContact O-N 2.89Å; K878-E882 PolarHBondContact O-N 3.3Å
879L61.6Low62.1Low55 Ų5582.2 Ų82.229%0.28840%0.398SS..Hα-helixtrans-64.1-41.3177.7-68.8167.4000111.9L863 Y875 Q877 E882 R883 F961L863-L879 HydrophobicContact CD2-CD2 3.62Å; Y875-L879 HydrophobicContact CD1-CD1 3.74Å; Y875-L879 HydrophobicContact CD1-CG 4.38Å; Y875-L879 HydrophobicContact CE1-CD1 3.67Å; Y875-L879 HydrophobicContact CE1-CD2 4.48Å; Y875-L879 HydrophobicContact CE1-CG 4.26Å; Y875-L879 WeakPolarHBondContact O-CG 3.45Å; Y875-L879 PolarHBondContact O-N 3.32Å; Y875-L879 VanDerWaalsContact O-N 3.08Å; Q877-L879 VanDerWaalsContact C-N 3.31Å; Q877-L879 PolarHBondContact O-N 2.78Å; L879-E882 PolarHBondContact O-N 3.43Å; L879-R883 PolarHBondContact O-N 3.41Å; L879-F961 HydrophobicContact CD2-CE1 3.78Å; L879-F961 HydrophobicContact CD2-CZ 4.46Å
880K66.9Low64.1Low134 Ų13476.1 Ų76.158%0.58337%0.369SS*.Hα-helixtrans-65.6-39.7175.5-71.9173.7-179.2-179.60111.9S876 Q877 R883 R884S876-K880 WeakPolarHBondContact O-CG 3.36Å; S876-K880 PolarHBondContact O-N 3.34Å; S876-K880 VanDerWaalsContact O-N 3.17Å; Q877-K880 PolarHBondContact O-N 2.92Å; Q877-K880 VanDerWaalsContact O-N 3.11Å; K880-R883 PolarHBondContact O-N 2.95Å; K880-R884 WeakPolarHBondContact O-CB 3.44Å; K880-R884 VanDerWaalsContact O-CG 3.29Å; K880-R884 WeakPolarHBondContact O-CG 3.45Å; K880-R884 PolarHBondContact O-N 2.91Å
881D71.5Confident66.2Low74 Ų7475.6 Ų75.640%0.39637%0.368SS..Hα-helixtrans-69.8-36.8177.7-68.3-26.6000111.9Q877 K878 Q885Q877-D881 PolarHBondContact O-N 3.03Å; K878-D881 PolarHBondContact O-N 2.89Å; D881-Q885 WeakPolarHBondContact O-CB 3.5Å; D881-Q885 PolarHBondContact O-N 3.39Å
882E68Low68.1Low35 Ų3577 Ų7716%0.16437%0.367CS..Hα-helixtrans-66.9-43.2171.8-175.2166-16500111.9K878 L879 R884 Q885 L886 F961K878-E882 PolarHBondContact O-N 3.3Å; L879-E882 PolarHBondContact O-N 3.43Å; E882-R884 PolarHBondContact O-N 3.24Å; E882-Q885 PolarHBondContact O-N 2.91Å; E882-Q885 VanDerWaalsContact O-N 3.16Å; E882-L886 HydrophobicContact CG-CD1 4.42Å; E882-L886 WeakPolarHBondContact O-CG 3.28Å; E882-L886 PolarHBondContact O-N 3.07Å; E882-F961 HydrophobicContact CB-CZ 4.29Å; E882-F961 HydrophobicContact CG-CE2 4.15Å; E882-F961 HydrophobicContact CG-CZ 3.94Å
883R73.1Confident70.2Confident50 Ų5072.4 Ų72.419%0.18935%0.346CS..Hα-helixtrans-58.9-47.5175.6-170.371-176.178.1-2.9111.5L879 K880 Q885 L886 D887 S958 D962L879-R883 PolarHBondContact O-N 3.41Å; K880-R883 PolarHBondContact O-N 2.95Å; R883-Q885 VanDerWaalsContact C-N 3.31Å; R883-Q885 PolarHBondContact O-N 3.47Å; R883-L886 WeakPolarHBondContact O-CB 3.39Å; R883-L886 PolarHBondContact O-N 3.41Å; R883-D887 IonicContact CZ-OD1 2.86Å; R883-D887 IonicContact CZ-OD2 2.77Å; R883-D887 IonicContact NH1-OD1 2.77Å; R883-D887 PolarHBondContact NH1-OD1 3.33Å; R883-D887 IonicContact NH1-OD2 3.87Å; R883-D887 PolarHBondContact NH1-OD2 3.08Å; R883-D887 IonicContact NH2-OD1 3.25Å; R883-D887 PolarHBondContact O-N 3.03Å; R883-D887 VanDerWaalsContact O-N 3.12Å; R883-D887 VanDerWaalsContact O-OD2 3.1Å; R883-S958 PolarHBondContact NH2-OG 3Å; R883-D962 IonicContact CZ-OD1 3.77Å; R883-D962 IonicContact CZ-OD2 2.75Å; R883-D962 IonicContact NE-OD1 3.58Å; R883-D962 PolarHBondContact NE-OD1 3.45Å; R883-D962 IonicContact NH2-OD1 2.83Å; R883-D962 PolarHBondContact NH2-OD1 3.37Å; R883-D962 IonicContact NH2-OD2 3.74Å; R883-D962 PolarHBondContact NH2-OD2 3Å
884R77Confident71.9Confident162 Ų16270.4 Ų70.461%0.61134%0.337SS*.Hα-helixtrans-58-41.8174.1-76.3170.4166.6-173.8-7112.1K880 E882 D887 I888K880-R884 WeakPolarHBondContact O-CB 3.44Å; K880-R884 VanDerWaalsContact O-CG 3.29Å; K880-R884 WeakPolarHBondContact O-CG 3.45Å; K880-R884 PolarHBondContact O-N 2.91Å; E882-R884 PolarHBondContact O-N 3.24Å; R884-D887 PolarHBondContact O-N 2.97Å; R884-I888 VanDerWaalsContact O-CG1 3.29Å; R884-I888 WeakPolarHBondContact O-CG1 3.32Å; R884-I888 PolarHBondContact O-N 2.84Å
885Q75.6Confident73.7Confident64 Ų6470.7 Ų70.730%0.29934%0.337SS..Hα-helixtrans-66.5-36.7177.7-176.459.29200112.4R854 D881 E882 R883 I888 D889R854-Q885 VanDerWaalsContact NH2-NE2 3.17Å; D881-Q885 WeakPolarHBondContact O-CB 3.5Å; D881-Q885 PolarHBondContact O-N 3.39Å; E882-Q885 PolarHBondContact O-N 2.91Å; E882-Q885 VanDerWaalsContact O-N 3.16Å; R883-Q885 VanDerWaalsContact C-N 3.31Å; R883-Q885 PolarHBondContact O-N 3.47Å; Q885-I888 PolarHBondContact O-N 3.06Å; Q885-D889 VanDerWaalsContact NE2-CG 3.28Å; Q885-D889 PolarHBondContact NE2-OD1 3.04Å; Q885-D889 PolarHBondContact NE2-OD2 2.94Å; Q885-D889 WeakPolarHBondContact O-CB 3.45Å; Q885-D889 VanDerWaalsContact O-CG 3.28Å; Q885-D889 PolarHBondContact O-N 2.8Å
886L78.1Confident75.6Confident8 Ų868.1 Ų68.14%0.04233%0.327CS..Hα-helixtrans-64.8-41.3174.5-72.6169.3000112.1E882 R883 D889 K890 V954 R957 F961E882-L886 HydrophobicContact CG-CD1 4.42Å; E882-L886 WeakPolarHBondContact O-CG 3.28Å; E882-L886 PolarHBondContact O-N 3.07Å; R883-L886 WeakPolarHBondContact O-CB 3.39Å; R883-L886 PolarHBondContact O-N 3.41Å; L886-D889 PolarHBondContact O-N 3Å; L886-K890 WeakPolarHBondContact O-CB 3.47Å; L886-K890 PolarHBondContact O-N 2.87Å; L886-V954 HydrophobicContact CD2-CG1 4.25Å; L886-R957 HydrophobicContact CD1-CB 3.87Å; L886-R957 HydrophobicContact CD2-CB 4.04Å; L886-F961 HydrophobicContact CD1-CD2 3.65Å; L886-F961 HydrophobicContact CD1-CE2 3.64Å
887D77.2Confident77.1Confident67 Ų6766.2 Ų66.236%0.35832%0.316SS..Hα-helixtrans-66.9-38.5176-65.3-49.6000112.2R883 R884 K890 S891R883-D887 IonicContact CZ-OD1 2.86Å; R883-D887 IonicContact CZ-OD2 2.77Å; R883-D887 IonicContact NH1-OD1 2.77Å; R883-D887 PolarHBondContact NH1-OD1 3.33Å; R883-D887 IonicContact NH1-OD2 3.87Å; R883-D887 PolarHBondContact NH1-OD2 3.08Å; R883-D887 IonicContact NH2-OD1 3.25Å; R883-D887 PolarHBondContact O-N 3.03Å; R883-D887 VanDerWaalsContact O-N 3.12Å; R883-D887 VanDerWaalsContact O-OD2 3.1Å; R884-D887 PolarHBondContact O-N 2.97Å; D887-K890 PolarHBondContact O-N 3.13Å; D887-S891 WeakPolarHBondContact O-CB 3.26Å; D887-S891 PolarHBondContact O-N 2.84Å
888I80.7Confident78.1Confident80 Ų8068 Ų6841%0.4132%0.322SS..Hα-helixtrans-59.7-52.4171.8-70165.2000110.1R884 Q885 K890 S891 Y892R884-I888 VanDerWaalsContact O-CG1 3.29Å; R884-I888 WeakPolarHBondContact O-CG1 3.32Å; R884-I888 PolarHBondContact O-N 2.84Å; Q885-I888 PolarHBondContact O-N 3.06Å; I888-K890 VanDerWaalsContact C-N 3.33Å; I888-K890 PolarHBondContact O-N 3.27Å; I888-S891 PolarHBondContact O-N 2.92Å; I888-S891 VanDerWaalsContact O-N 3.14Å; I888-S891 PolarHBondContact O-OG 2.87Å; I888-Y892 HydrophobicContact CG2-CD2 3.83Å; I888-Y892 HydrophobicContact CG2-CE2 3.79Å; I888-Y892 WeakPolarHBondContact O-CD2 3.45Å; I888-Y892 PolarHBondContact O-N 2.81Å
889D81.4Confident79.2Confident12 Ų1268 Ų686%0.06432%0.32CS..Hα-helixtrans-64.5-37.3-178-69.3-22.4000111.3L851 R854 L855 Q885 L886 Y892 L893L851-D889 HydrophobicContact CD1-CB 4.5Å; R854-D889 IonicContact NH2-OD2 2.64Å; L855-D889 HydrophobicContact CD2-CB 4.42Å; Q885-D889 VanDerWaalsContact NE2-CG 3.28Å; Q885-D889 PolarHBondContact NE2-OD1 3.04Å; Q885-D889 PolarHBondContact NE2-OD2 2.94Å; Q885-D889 WeakPolarHBondContact O-CB 3.45Å; Q885-D889 VanDerWaalsContact O-CG 3.28Å; Q885-D889 PolarHBondContact O-N 2.8Å; L886-D889 PolarHBondContact O-N 3Å; D889-Y892 PolarHBondContact O-N 3.37Å; D889-L893 WeakPolarHBondContact O-CB 3.36Å; D889-L893 VanDerWaalsContact O-CG 3.3Å; D889-L893 WeakPolarHBondContact O-CG 3.29Å; D889-L893 PolarHBondContact O-N 2.95Å
890K83Confident80.4Confident67 Ų6765.5 Ų65.529%0.29131%0.307SS..Hα-helixtrans-60.7-42171.5-174.9174.2175.51770112.4L886 D887 I888 T894 V954 N955L886-K890 WeakPolarHBondContact O-CB 3.47Å; L886-K890 PolarHBondContact O-N 2.87Å; D887-K890 PolarHBondContact O-N 3.13Å; I888-K890 VanDerWaalsContact C-N 3.33Å; I888-K890 PolarHBondContact O-N 3.27Å; K890-T894 WeakPolarHBondContact O-CB 3.4Å; K890-T894 PolarHBondContact O-N 3.4Å; K890-T894 PolarHBondContact O-OG1 3.14Å; K890-V954 HydrophobicContact CB-CG1 3.76Å; K890-V954 HydrophobicContact CG-CG1 4.47Å; K890-N955 WeakPolarHBondContact CE-OD1 3.5Å
891S83.2Confident81.2Confident67 Ų6762.4 Ų62.447%0.46930%0.299SS..Hα-helixtrans-66.1-43.8177.479.60000112D887 I888 T894 H895D887-S891 WeakPolarHBondContact O-CB 3.26Å; D887-S891 PolarHBondContact O-N 2.84Å; I888-S891 PolarHBondContact O-N 2.92Å; I888-S891 VanDerWaalsContact O-N 3.14Å; I888-S891 PolarHBondContact O-OG 2.87Å; S891-T894 PolarHBondContact O-N 3.01Å; S891-H895 PolarHBondContact O-N 3.48Å
892Y84.1Confident81.8Confident130 Ų13063.9 Ų63.951%0.5130%0.304SS..Hα-helixtrans-63.6-45.3175.7-86.5-73000111.9I888 D889 T894 H895 Y896I888-Y892 HydrophobicContact CG2-CD2 3.83Å; I888-Y892 HydrophobicContact CG2-CE2 3.79Å; I888-Y892 WeakPolarHBondContact O-CD2 3.45Å; I888-Y892 PolarHBondContact O-N 2.81Å; D889-Y892 PolarHBondContact O-N 3.37Å; Y892-T894 VanDerWaalsContact C-N 3.33Å; Y892-T894 PolarHBondContact O-N 3.39Å; Y892-H895 PolarHBondContact O-N 3.2Å; Y892-Y896 WeakPolarHBondContact O-CD2 3.41Å; Y892-Y896 PolarHBondContact O-N 2.98Å
893L86.3Confident82.8Confident0 Ų062.6 Ų62.60%030%0.297CS..Hα-helixtrans-60.9-42.2174.7-71.3170.3000110.9L848 L851 L852 L855 D889 H895 Y896 G897 H947 A950 L951 V954L848-L893 HydrophobicContact CD1-CD2 4.2Å; L851-L893 HydrophobicContact CD2-CD2 4.11Å; L851-L893 HydrophobicContact CD2-CG 4.11Å; L852-L893 HydrophobicContact CD2-CD2 4.18Å; L855-L893 HydrophobicContact CD1-CD1 4Å; D889-L893 WeakPolarHBondContact O-CB 3.36Å; D889-L893 VanDerWaalsContact O-CG 3.3Å; D889-L893 WeakPolarHBondContact O-CG 3.29Å; D889-L893 PolarHBondContact O-N 2.95Å; L893-H895 PolarHBondContact O-N 3.29Å; L893-Y896 PolarHBondContact O-N 3.02Å; L893-G897 PolarHBondContact O-N 3.03Å; L893-H947 PolarHBondContact O-NE2 3.12Å; L893-A950 HydrophobicContact CD1-CB 4.16Å; L893-A950 HydrophobicContact CD2-CB 4.2Å; L893-L951 HydrophobicContact CB-CD1 4.14Å; L893-L951 HydrophobicContact CD1-CB 4.43Å; L893-V954 HydrophobicContact CD1-CB 4.41Å; L893-V954 HydrophobicContact CD1-CG2 4.01Å
894T85.7Confident83.3Confident74 Ų7461.1 Ų61.145%0.45429%0.294SS..Hα-helixtrans-64-41.9178.9-57.20000112.2K890 S891 Y892 G897K890-T894 WeakPolarHBondContact O-CB 3.4Å; K890-T894 PolarHBondContact O-N 3.4Å; K890-T894 PolarHBondContact O-OG1 3.14Å; S891-T894 PolarHBondContact O-N 3.01Å; Y892-T894 VanDerWaalsContact C-N 3.33Å; Y892-T894 PolarHBondContact O-N 3.39Å; T894-G897 PolarHBondContact O-N 2.71Å
895H87Confident83.6Confident81 Ų8157.7 Ų57.738%0.37529%0.288SS..Hα-helixtrans-61-45.8171.9161.4-98.7000112S891 Y892 L893 G897 K898 R899S891-H895 PolarHBondContact O-N 3.48Å; Y892-H895 PolarHBondContact O-N 3.2Å; L893-H895 PolarHBondContact O-N 3.29Å; H895-G897 PolarHBondContact O-N 2.76Å; H895-K898 PolarHBondContact O-N 3.49Å; H895-R899 PolarHBondContact CE1-NE 3.15Å; H895-R899 PolarHBondContact NE2-NE 3.08Å; H895-R899 PolarHBondContact NE2-NH2 3.07Å; H895-R899 PolarHBondContact O-N 3.46Å
896Y87.2Confident83.8Confident18 Ų1856.1 Ų56.17%0.07128%0.282CS..Hα-helixtrans-71.3-26.6-179.8-88.9-67.9000114.1D844 P847 L848 Y892 L893 K898 R899 L900 W903D844-Y896 WeakPolarHBondContact O-CE1 3.43Å; D844-Y896 PolarHBondContact O-OH 3.02Å; P847-Y896 WeakPolarHBondContact CB-OH 3.43Å; P847-Y896 WeakPolarHBondContact CG-OH 3.45Å; L848-Y896 HydrophobicContact CB-CD1 3.78Å; L848-Y896 HydrophobicContact CB-CD2 4.1Å; L848-Y896 HydrophobicContact CB-CE1 3.96Å; L848-Y896 HydrophobicContact CB-CE2 4.26Å; L848-Y896 HydrophobicContact CB-CG 3.86Å; L848-Y896 HydrophobicContact CD1-CD2 4.4Å; L848-Y896 HydrophobicContact CD1-CG 4.11Å; L848-Y896 HydrophobicContact CD2-CD1 4.18Å; L848-Y896 HydrophobicContact CD2-CG 4.3Å; L848-Y896 HydrophobicContact CG-CD1 4.43Å; L848-Y896 HydrophobicContact CG-CG 4.3Å; Y892-Y896 WeakPolarHBondContact O-CD2 3.41Å; Y892-Y896 PolarHBondContact O-N 2.98Å; L893-Y896 PolarHBondContact O-N 3.02Å; Y896-K898 VanDerWaalsContact C-N 3.31Å; Y896-K898 PolarHBondContact O-N 3.22Å; Y896-R899 HydrophobicContact CD1-CB 4.43Å; Y896-R899 PolarHBondContact O-N 3.32Å; Y896-L900 WeakPolarHBondContact O-CB 3.47Å; Y896-L900 WeakPolarHBondContact O-CG 3.33Å; Y896-L900 PolarHBondContact O-N 3.44Å; Y896-W903 HydrophobicContact CD1-CH2 4.11Å; Y896-W903 HydrophobicContact CE1-CH2 4.02Å
897G85Confident83.9Confident17 Ų1755.9 Ų55.918%0.17528%0.281CS..Hα-helixtrans-60.9-39.7171.900000112.3L893 T894 H895 L900 T901 H947L893-G897 PolarHBondContact O-N 3.03Å; T894-G897 PolarHBondContact O-N 2.71Å; H895-G897 PolarHBondContact O-N 2.76Å; G897-L900 PolarHBondContact O-N 3.35Å; G897-T901 PolarHBondContact O-N 2.98Å; G897-T901 PolarHBondContact O-OG1 2.88Å; G897-H947 VanDerWaalsContact CA-CE1 3.47Å; G897-H947 WeakPolarHBondContact CA-CE1 3.22Å; G897-H947 PolarHBondContact N-NE2 3.35Å
898K86.2Confident84Confident151 Ų15156 Ų5666%0.65728%0.281SS*.Hα-helixtrans-64.1-42.7174-65-174.7177.7-174.40111.7H895 Y896 Q902H895-K898 PolarHBondContact O-N 3.49Å; Y896-K898 VanDerWaalsContact C-N 3.31Å; Y896-K898 PolarHBondContact O-N 3.22Å; K898-Q902 WeakPolarHBondContact O-CG 3.23Å; K898-Q902 PolarHBondContact O-N 3.35Å; K898-Q902 VanDerWaalsContact O-N 3.15Å
899R84.4Confident84Confident83 Ų8357.8 Ų57.831%0.31329%0.286SS..Hα-helixtrans-66.8-40.2176.2-67.7-165.1-174.9-147.92.7113.2H895 Y896 T901 Q902 W903H895-R899 PolarHBondContact CE1-NE 3.15Å; H895-R899 PolarHBondContact NE2-NE 3.08Å; H895-R899 PolarHBondContact NE2-NH2 3.07Å; H895-R899 PolarHBondContact O-N 3.46Å; Y896-R899 HydrophobicContact CD1-CB 4.43Å; Y896-R899 PolarHBondContact O-N 3.32Å; R899-T901 VanDerWaalsContact C-N 3.35Å; R899-T901 PolarHBondContact O-N 3.27Å; R899-Q902 WeakPolarHBondContact O-CB 3.43Å; R899-Q902 PolarHBondContact O-N 3.06Å; R899-Q902 VanDerWaalsContact O-N 3.16Å; R899-W903 HydrophobicContact CB-CD2 4.42Å; R899-W903 HydrophobicContact CB-CH2 4.06Å; R899-W903 HydrophobicContact CB-CZ2 3.87Å; R899-W903 HydrophobicContact CB-CZ3 4.4Å; R899-W903 VanDerWaalsContact O-CG 3.22Å; R899-W903 PolarHBondContact O-N 3.01Å
900L86.4Confident83.7Confident2 Ų258.2 Ų58.21%0.0129%0.289CS..Hα-helixtrans-58.2-46.8176-81.4164.5000111.3L848 Y896 G897 Q902 W903 T904 L940 L943 H947L848-L900 HydrophobicContact CD2-CD1 3.88Å; L848-L900 HydrophobicContact CD2-CD2 4.23Å; L848-L900 HydrophobicContact CD2-CG 4.12Å; Y896-L900 WeakPolarHBondContact O-CB 3.47Å; Y896-L900 WeakPolarHBondContact O-CG 3.33Å; Y896-L900 PolarHBondContact O-N 3.44Å; G897-L900 PolarHBondContact O-N 3.35Å; L900-Q902 VanDerWaalsContact C-N 3.34Å; L900-Q902 PolarHBondContact O-N 3.32Å; L900-W903 HydrophobicContact CD2-CE3 4.04Å; L900-W903 HydrophobicContact CD2-CZ3 4.25Å; L900-W903 HydrophobicContact CG-CE3 4.39Å; L900-W903 HydrophobicContact CG-CZ3 4.45Å; L900-W903 PolarHBondContact O-N 2.8Å; L900-T904 PolarHBondContact O-N 2.94Å; L900-T904 PolarHBondContact O-OG1 3.2Å; L900-T904 VanDerWaalsContact O-OG1 3.11Å; L900-L940 HydrophobicContact CD2-CD2 4.33Å; L900-L943 HydrophobicContact CD2-CB 4.39Å; L900-L943 HydrophobicContact CD2-CD2 3.94Å; L900-L943 HydrophobicContact CD2-CG 3.99Å; L900-H947 HydrophobicContact CD1-CB 3.48Å; L900-H947 VanDerWaalsContact CD1-CB 3.48Å
901T84.6Confident83.2Confident68 Ų6857.5 Ų57.542%0.41729%0.288SS..Hα-helixtrans-61.4-41174.9-580000111.8G897 R899 W903 T904 N905G897-T901 PolarHBondContact O-N 2.98Å; G897-T901 PolarHBondContact O-OG1 2.88Å; R899-T901 VanDerWaalsContact C-N 3.35Å; R899-T901 PolarHBondContact O-N 3.27Å; T901-W903 PolarHBondContact O-N 2.8Å; T901-T904 PolarHBondContact O-N 3.43Å; T901-N905 WeakPolarHBondContact O-CB 3.38Å; T901-N905 PolarHBondContact O-N 3.44Å; T901-N905 PolarHBondContact O-OD1 3.44Å
902Q84Confident82.6Confident106 Ų10660.8 Ų60.850%0.49530%0.3SS..Hα-helixtrans-61.4-42.1173.9-70.8170.5-3100112.4K898 R899 L900 T906K898-Q902 WeakPolarHBondContact O-CG 3.23Å; K898-Q902 PolarHBondContact O-N 3.35Å; K898-Q902 VanDerWaalsContact O-N 3.15Å; R899-Q902 WeakPolarHBondContact O-CB 3.43Å; R899-Q902 PolarHBondContact O-N 3.06Å; R899-Q902 VanDerWaalsContact O-N 3.16Å; L900-Q902 VanDerWaalsContact C-N 3.34Å; L900-Q902 PolarHBondContact O-N 3.32Å; Q902-T906 WeakPolarHBondContact O-CB 2.99Å; Q902-T906 PolarHBondContact O-N 3.06Å; Q902-T906 PolarHBondContact O-OG1 2.8Å
903W87.5Confident81.9Confident7 Ų757.7 Ų57.73%0.02730%0.297CS..Hα-helixtrans-70.2-39178-60.2-30.2000113I841 D844 A845 Y896 R899 L900 T901 T906 M907 L940I841-W903 HydrophobicContact CG1-CG 4.42Å; I841-W903 HydrophobicContact CG2-CB 4.15Å; I841-W903 HydrophobicContact CG2-CD2 3.8Å; I841-W903 HydrophobicContact CG2-CE3 4.29Å; I841-W903 HydrophobicContact CG2-CG 3.72Å; D844-W903 HydrophobicContact CB-CH2 4.28Å; D844-W903 HydrophobicContact CB-CZ2 3.64Å; A845-W903 HydrophobicContact CB-CH2 3.9Å; A845-W903 HydrophobicContact CB-CZ3 3.81Å; Y896-W903 HydrophobicContact CD1-CH2 4.11Å; Y896-W903 HydrophobicContact CE1-CH2 4.02Å; R899-W903 HydrophobicContact CB-CD2 4.42Å; R899-W903 HydrophobicContact CB-CH2 4.06Å; R899-W903 HydrophobicContact CB-CZ2 3.87Å; R899-W903 HydrophobicContact CB-CZ3 4.4Å; R899-W903 VanDerWaalsContact O-CG 3.22Å; R899-W903 PolarHBondContact O-N 3.01Å; L900-W903 HydrophobicContact CD2-CE3 4.04Å; L900-W903 HydrophobicContact CD2-CZ3 4.25Å; L900-W903 HydrophobicContact CG-CE3 4.39Å; L900-W903 HydrophobicContact CG-CZ3 4.45Å; L900-W903 PolarHBondContact O-N 2.8Å; T901-W903 PolarHBondContact O-N 2.8Å; W903-T906 PolarHBondContact O-N 3.16Å; W903-M907 PolarHBondContact O-N 3.19Å; W903-L940 HydrophobicContact CB-CD1 4.06Å; W903-L940 HydrophobicContact CB-CD2 3.94Å; W903-L940 HydrophobicContact CE3-CD2 4.02Å
904T84.8Confident80.8Confident19 Ų1960.1 Ų60.112%0.11731%0.308CS..Hα-helixtrans-59.1-55.6170.9-56.40000109.8L900 T901 T906 M907 D908L900-T904 PolarHBondContact O-N 2.94Å; L900-T904 PolarHBondContact O-OG1 3.2Å; L900-T904 VanDerWaalsContact O-OG1 3.11Å; T901-T904 PolarHBondContact O-N 3.43Å; T904-T906 PolarHBondContact O-N 2.93Å; T904-M907 CarbonylContact O-C 3.58Å; T904-M907 WeakPolarHBondContact O-CA 3.46Å; T904-M907 PolarHBondContact O-N 3.26Å; T904-D908 PolarHBondContact O-N 3.01Å
905N82.4Confident79.5Confident91 Ų9160.8 Ų60.849%0.48731%0.313SS..Hα-helixtrans-58.3-28.3179.1-64.314.3000113.2T901 K909T901-N905 WeakPolarHBondContact O-CB 3.38Å; T901-N905 PolarHBondContact O-N 3.44Å; T901-N905 PolarHBondContact O-OD1 3.44Å; N905-K909 WeakPolarHBondContact O-CG 3.47Å; N905-K909 PolarHBondContact O-N 3.41Å
906T80.5Confident77.7Confident30 Ų3063.1 Ų63.118%0.18434%0.336CS..Hα-helixtrans-74.7-38.6174.4-55.20000111.7L837 Q902 W903 T904 L910L837-T906 HydrophobicContact CD2-CG2 4.31Å; Q902-T906 WeakPolarHBondContact O-CB 2.99Å; Q902-T906 PolarHBondContact O-N 3.06Å; Q902-T906 PolarHBondContact O-OG1 2.8Å; W903-T906 PolarHBondContact O-N 3.16Å; T904-T906 PolarHBondContact O-N 2.93Å; T906-L910 HydrophobicContact CG2-CD1 4.38Å; T906-L910 WeakPolarHBondContact O-CD1 3.16Å; T906-L910 VanDerWaalsContact O-CG 3.3Å; T906-L910 WeakPolarHBondContact O-CG 3.48Å; T906-L910 PolarHBondContact O-N 3.16Å; T906-L910 VanDerWaalsContact O-N 3.16Å
907M81Confident75.7Confident3 Ų370.3 Ų70.32%0.01537%0.37CS..Hα-helixtrans-68.4-40.9171.8-73.4-51.4111.200112.1L838 I841 W903 T904 K909 L910 L911 L933 F936 L940L838-M907 HydrophobicContact CD2-CE 3.62Å; L838-M907 HydrophobicContact CD2-SD 3.76Å; I841-M907 HydrophobicContact CD1-CE 3.59Å; W903-M907 PolarHBondContact O-N 3.19Å; T904-M907 CarbonylContact O-C 3.58Å; T904-M907 WeakPolarHBondContact O-CA 3.46Å; T904-M907 PolarHBondContact O-N 3.26Å; M907-K909 PolarHBondContact O-N 2.77Å; M907-L910 HydrophobicContact CE-CD1 3.55Å; M907-L910 CarbonylContact O-C 3.59Å; M907-L910 WeakPolarHBondContact O-CA 3.35Å; M907-L910 WeakPolarHBondContact O-CB 3.38Å; M907-L910 PolarHBondContact O-N 2.74Å; M907-L910 HydrophobicContact SD-CD1 4.05Å; M907-L911 WeakPolarHBondContact O-CG 3.33Å; M907-L911 PolarHBondContact O-N 2.98Å; M907-L933 HydrophobicContact SD-CD2 4.48Å; M907-F936 HydrophobicContact CE-CD1 4.14Å; M907-F936 HydrophobicContact CE-CE1 4Å; M907-F936 HydrophobicContact CG-CD1 4.04Å; M907-F936 HydrophobicContact CG-CE1 4.43Å; M907-F936 HydrophobicContact SD-CD1 3.59Å; M907-F936 VanDerWaalsContact SD-CD1 3.59Å; M907-F936 HydrophobicContact SD-CE1 4.07Å; M907-L940 HydrophobicContact CG-CD1 3.5Å; M907-L940 VanDerWaalsContact CG-CD1 3.5Å
908D78.8Confident73.7Confident69 Ų6978 Ų7837%0.36940%0.401SS..Hα-helixtrans-58.7-48.9178.1-56.7-25.3000109.9T904 L910 L911 D912T904-D908 PolarHBondContact O-N 3.01Å; D908-L910 VanDerWaalsContact C-N 3.28Å; D908-L910 PolarHBondContact O-N 3.34Å; D908-L911 PolarHBondContact O-N 3.49Å; D908-D912 WeakPolarHBondContact O-CB 3.37Å; D908-D912 PolarHBondContact O-N 3.48Å
909K79.8Confident71.2Confident118 Ų11875.5 Ų75.551%0.51341%0.409SS..Hα-helixtrans-55.8-36.4171.4-82.6-171.1172.5-171.80113.7D825 N905 M907 S913D825-K909 IonicContact OD1-NZ 3.88Å; D825-K909 PolarHBondContact OD1-NZ 3.03Å; N905-K909 WeakPolarHBondContact O-CG 3.47Å; N905-K909 PolarHBondContact O-N 3.41Å; M907-K909 PolarHBondContact O-N 2.77Å; K909-S913 WeakPolarHBondContact O-CB 3.49Å; K909-S913 PolarHBondContact O-N 3.37Å; K909-S913 PolarHBondContact O-OG 2.83Å
910L75.6Confident69.3Low22 Ų2277.3 Ų77.312%0.11543%0.425CS..Hα-helixtrans-74.7-38.2178.2-75.7164.7000112L837 T906 M907 D908 S913 F914 L933L837-L910 HydrophobicContact CD2-CD1 4.04Å; T906-L910 HydrophobicContact CG2-CD1 4.38Å; T906-L910 WeakPolarHBondContact O-CD1 3.16Å; T906-L910 VanDerWaalsContact O-CG 3.3Å; T906-L910 WeakPolarHBondContact O-CG 3.48Å; T906-L910 PolarHBondContact O-N 3.16Å; T906-L910 VanDerWaalsContact O-N 3.16Å; M907-L910 HydrophobicContact CE-CD1 3.55Å; M907-L910 CarbonylContact O-C 3.59Å; M907-L910 WeakPolarHBondContact O-CA 3.35Å; M907-L910 WeakPolarHBondContact O-CB 3.38Å; M907-L910 PolarHBondContact O-N 2.74Å; M907-L910 HydrophobicContact SD-CD1 4.05Å; D908-L910 VanDerWaalsContact C-N 3.28Å; D908-L910 PolarHBondContact O-N 3.34Å; L910-S913 WeakPolarHBondContact O-CB 3.36Å; L910-S913 PolarHBondContact O-N 2.98Å; L910-F914 VanDerWaalsContact O-CD2 3.22Å; L910-F914 WeakPolarHBondContact O-CD2 3.4Å; L910-F914 PolarHBondContact O-N 3.3Å; L910-L933 HydrophobicContact CB-CD2 4.5Å
911L72Confident67.1Low52 Ų5288.2 Ų88.227%0.27247%0.468SS..Hα-helixtrans-68.2-43176.1-68.9169.2000110.9M907 D908 S913 F914 L933 N934M907-L911 WeakPolarHBondContact O-CG 3.33Å; M907-L911 PolarHBondContact O-N 2.98Å; D908-L911 PolarHBondContact O-N 3.49Å; L911-S913 PolarHBondContact O-N 2.94Å; L911-F914 CarbonylContact O-C 3.59Å; L911-F914 PolarHBondContact O-N 2.69Å; L911-L933 HydrophobicContact CD2-CB 3.85Å; L911-N934 WeakPolarHBondContact CD2-OD1 3.48Å
912D72.1Confident65.2Low136 Ų13693 Ų9373%0.72748%0.483SS*.Hα-helixtrans-57.7-28.9170.7-75-19.9000112.5D908 F914D908-D912 WeakPolarHBondContact O-CB 3.37Å; D908-D912 PolarHBondContact O-N 3.48Å; D912-F914 VanDerWaalsContact C-N 3.32Å
913S68.9Low63.8Low64 Ų6491.2 Ų91.245%0.44848%0.479SS..THydrogen-bonded Turntrans-78.8-11.3177.2-59.80000113.9K909 L910 L911 P915K909-S913 WeakPolarHBondContact O-CB 3.49Å; K909-S913 PolarHBondContact O-N 3.37Å; K909-S913 PolarHBondContact O-OG 2.83Å; L910-S913 WeakPolarHBondContact O-CB 3.36Å; L910-S913 PolarHBondContact O-N 2.98Å; L911-S913 PolarHBondContact O-N 2.94Å; S913-P915 VanDerWaalsContact C-CD 3.45Å
914F63.5Low62Low51 Ų5199.1 Ų99.122%0.22452%0.516CS..SBendtrans-127.462.8178.7-66-67.6000112.1I834 L910 L911 D912 L929 L933I834-F914 HydrophobicContact CD1-CE2 3.72Å; I834-F914 HydrophobicContact CD1-CZ 3.74Å; L910-F914 VanDerWaalsContact O-CD2 3.22Å; L910-F914 WeakPolarHBondContact O-CD2 3.4Å; L910-F914 PolarHBondContact O-N 3.3Å; L911-F914 CarbonylContact O-C 3.59Å; L911-F914 PolarHBondContact O-N 2.69Å; D912-F914 VanDerWaalsContact C-N 3.32Å; F914-L929 HydrophobicContact CD1-CD2 4.44Å; F914-L929 HydrophobicContact CE1-CD2 3.98Å; F914-L929 HydrophobicContact CE2-CD2 4.15Å; F914-L929 HydrophobicContact CZ-CD2 3.83Å; F914-L933 HydrophobicContact CD2-CD1 3.58Å; F914-L933 HydrophobicContact CE2-CD1 4.03Å; F914-L933 HydrophobicContact CG-CD1 4.48Å
915P57.3Low60.5Low88 Ų88102.5 Ų102.557%0.57153%0.534SS*.  trans-63139.4-17826.8-35.4000112.3S913 E917S913-P915 VanDerWaalsContact C-CD 3.45Å; P915-E917 PolarHBondContact O-N 2.92Å
916P49Very low59.3Low130 Ų130103 Ų10384%0.84453%0.533SS*.  trans-86.962.9-173.536.2-37.7000113.1
917E46.9Very low58.3Low169 Ų169105.1 Ų105.179%0.7955%0.546SS*.  trans-122.9146.2-179.4-83.7-169.3145.700116P915P915-E917 PolarHBondContact O-N 2.92Å
918E42.8Very low57.4Low178 Ų178107.9 Ų107.983%0.83257%0.565SS**  trans5070161.8-55.3-154139.800120D920E918-D920 PolarHBondContact O-N 3.47Å
919A33.6Very low56.9Low100 Ų100105.8 Ų105.883%0.82655%0.554SS**  44.751.6116.800000120.1
920D43.5Very low56.3Low120 Ų120101.9 Ų101.964%0.64254%0.541SS*.  trans-136166.3161.8-147.3-22.6000112.4E918 K922 T923E918-D920 PolarHBondContact O-N 3.47Å; D920-K922 PolarHBondContact O-N 2.91Å; D920-T923 WeakPolarHBondContact O-CG2 3.44Å; D920-T923 PolarHBondContact O-N 2.91Å
921Y40.4Very low56.1Low231 Ų231105.5 Ų105.591%0.90656%0.56SS**THydrogen-bonded Turntrans-63.19.2-156.3-86.4-99.7000118.5
922K45.7Very low56.1Low168 Ų168103.7 Ų103.773%0.7355%0.552SS**THydrogen-bonded Turntrans-82.8-10.6168-78.9-176.1171.4-178.10114.3D920 Q924 Q926D920-K922 PolarHBondContact O-N 2.91Å; K922-Q924 PolarHBondContact O-N 2.84Å; K922-Q924 VanDerWaalsContact O-N 3.12Å; K922-Q926 VanDerWaalsContact CB-OE1 3.3Å
923T53.5Low56.4Low70 Ų7097.2 Ų97.243%0.42952%0.518SS..Hα-helixtrans-44.2-47.6-167.636.90000116.2D920 L925 Q926 T927D920-T923 WeakPolarHBondContact O-CG2 3.44Å; D920-T923 PolarHBondContact O-N 2.91Å; T923-L925 VanDerWaalsContact C-N 3.35Å; T923-L925 PolarHBondContact O-N 3.38Å; T923-Q926 PolarHBondContact O-N 2.87Å; T923-T927 WeakPolarHBondContact O-CB 3.47Å; T923-T927 PolarHBondContact O-N 3.34Å; T923-T927 PolarHBondContact O-OG1 3.48Å
924Q50.3Low56.7Low172 Ų17297.7 Ų97.780%0.80452%0.516SS*.Hα-helixtrans-60.7-38.2-166-164.8172.727.700114.4K922 S928K922-Q924 PolarHBondContact O-N 2.84Å; K922-Q924 VanDerWaalsContact O-N 3.12Å; Q924-S928 PolarHBondContact O-N 2.76Å
925L52Low57.2Low91 Ų9199 Ų9948%0.47653%0.527SS..Hα-helixtrans-72.5-46.6178.7-154.772000110.6E831 T923 T927 S928 L929E831-L925 WeakPolarHBondContact OE1-CD2 3.27Å; E831-L925 WeakPolarHBondContact OE2-CD2 3.49Å; T923-L925 VanDerWaalsContact C-N 3.35Å; T923-L925 PolarHBondContact O-N 3.38Å; L925-T927 VanDerWaalsContact C-N 3.33Å; L925-T927 PolarHBondContact O-N 3.01Å; L925-S928 PolarHBondContact O-N 2.94Å; L925-S928 PolarHBondContact O-OG 3.04Å; L925-L929 PolarHBondContact O-N 2.69Å
926Q57.2Low58.4Low102 Ų10296 Ų9648%0.47751%0.506SS..Hα-helixtrans-60.4-38.4176.3-67.2177.5-89.800112.4K922 T923 L929 S930K922-Q926 VanDerWaalsContact CB-OE1 3.3Å; T923-Q926 PolarHBondContact O-N 2.87Å; Q926-L929 PolarHBondContact O-N 3.41Å; Q926-S930 VanDerWaalsContact O-CB 3.22Å; Q926-S930 WeakPolarHBondContact O-CB 3.43Å; Q926-S930 PolarHBondContact O-N 3.04Å
927T60.1Low59.8Low74 Ų7490.5 Ų90.545%0.45447%0.472SS..Hα-helixtrans-62-43.6172.8-58.20000111.2T923 L925 S930 I931T923-T927 WeakPolarHBondContact O-CB 3.47Å; T923-T927 PolarHBondContact O-N 3.34Å; T923-T927 PolarHBondContact O-OG1 3.48Å; L925-T927 VanDerWaalsContact C-N 3.33Å; L925-T927 PolarHBondContact O-N 3.01Å; T927-S930 PolarHBondContact O-N 3.4Å; T927-I931 HydrophobicContact CG2-CD1 3.87Å; T927-I931 VanDerWaalsContact O-CG1 3.26Å; T927-I931 WeakPolarHBondContact O-CG1 3.48Å; T927-I931 PolarHBondContact O-N 3.14Å
928S63.3Low61.2Low60 Ų6087.5 Ų87.542%0.4246%0.462SS..Hα-helixtrans-65.9-39.7178.5740000112.8Q924 L925 A932Q924-S928 PolarHBondContact O-N 2.76Å; L925-S928 PolarHBondContact O-N 2.94Å; L925-S928 PolarHBondContact O-OG 3.04Å; S928-A932 WeakPolarHBondContact O-CB 3.28Å; S928-A932 PolarHBondContact O-N 3.44Å
929L67.2Low63.2Low25 Ų2583.2 Ų83.213%0.13144%0.438CS..Hα-helixtrans-68.1-42.4175.6-176.964.4000111.8E831 I834 F914 L925 Q926 A932 L933E831-L929 HydrophobicContact CG-CD2 4.44Å; I834-L929 HydrophobicContact CD1-CD1 4.06Å; I834-L929 HydrophobicContact CD1-CD2 3.92Å; I834-L929 HydrophobicContact CG2-CD1 4.39Å; F914-L929 HydrophobicContact CD1-CD2 4.44Å; F914-L929 HydrophobicContact CE1-CD2 3.98Å; F914-L929 HydrophobicContact CE2-CD2 4.15Å; F914-L929 HydrophobicContact CZ-CD2 3.83Å; L925-L929 PolarHBondContact O-N 2.69Å; Q926-L929 PolarHBondContact O-N 3.41Å; L929-A932 WeakPolarHBondContact O-CB 3.34Å; L929-A932 PolarHBondContact O-N 2.96Å; L929-L933 HydrophobicContact CG-CD1 4.2Å; L929-L933 WeakPolarHBondContact O-CG 3.49Å; L929-L933 PolarHBondContact O-N 2.95Å
930S68.1Low65.6Low36 Ų3678.5 Ų78.525%0.25240%0.399SS..Hα-helixtrans-61.7-43.7175.9-179.60000111.7Q926 T927 A932 L933 N934Q926-S930 VanDerWaalsContact O-CB 3.22Å; Q926-S930 WeakPolarHBondContact O-CB 3.43Å; Q926-S930 PolarHBondContact O-N 3.04Å; T927-S930 PolarHBondContact O-N 3.4Å; S930-A932 VanDerWaalsContact C-N 3.32Å; S930-A932 PolarHBondContact O-N 3.36Å; S930-L933 PolarHBondContact O-N 3.24Å; S930-N934 WeakPolarHBondContact O-CB 3.48Å; S930-N934 VanDerWaalsContact O-CG 3.27Å; S930-N934 PolarHBondContact O-N 3.01Å; S930-N934 PolarHBondContact O-ND2 2.93Å; S930-N934 VanDerWaalsContact O-ND2 3.08Å; S930-N934 PolarHBondContact OG-ND2 3.12Å
931I71.7Confident67.3Low98 Ų9876.2 Ų76.250%0.50339%0.392SS..Hα-helixtrans-61.8-40.6173.8-68.5165.6000111T927 T935T927-I931 HydrophobicContact CG2-CD1 3.87Å; T927-I931 VanDerWaalsContact O-CG1 3.26Å; T927-I931 WeakPolarHBondContact O-CG1 3.48Å; T927-I931 PolarHBondContact O-N 3.14Å; I931-T935 HydrophobicContact CG2-CG2 4.47Å; I931-T935 WeakPolarHBondContact O-CB 3.38Å; I931-T935 WeakPolarHBondContact O-CG2 3.38Å; I931-T935 PolarHBondContact O-N 3.46Å; I931-T935 PolarHBondContact O-OG1 3.45Å
932A72Confident69.1Low14 Ų1467.8 Ų67.812%0.11637%0.371CS..Hα-helixtrans-65.9-39.1177.500000113L788 S928 L929 S930 T935 F936L788-A932 HydrophobicContact CD1-CB 3.62Å; S928-A932 WeakPolarHBondContact O-CB 3.28Å; S928-A932 PolarHBondContact O-N 3.44Å; L929-A932 WeakPolarHBondContact O-CB 3.34Å; L929-A932 PolarHBondContact O-N 2.96Å; S930-A932 VanDerWaalsContact C-N 3.32Å; S930-A932 PolarHBondContact O-N 3.36Å; A932-T935 PolarHBondContact O-OG1 2.93Å; A932-F936 WeakPolarHBondContact O-CB 3.43Å; A932-F936 PolarHBondContact O-N 3.38Å
933L77Confident71Confident1 Ų160.1 Ų60.11%0.00534%0.337CS..Hα-helixtrans-70.8-45.5176.1-71.7170.6000111.6I834 L838 M907 L910 L911 F914 L929 S930 F936 G937I834-L933 HydrophobicContact CG2-CD2 4.03Å; L838-L933 HydrophobicContact CD1-CD2 4.36Å; L838-L933 HydrophobicContact CD2-CD2 4.38Å; M907-L933 HydrophobicContact SD-CD2 4.48Å; L910-L933 HydrophobicContact CB-CD2 4.5Å; L911-L933 HydrophobicContact CD2-CB 3.85Å; F914-L933 HydrophobicContact CD2-CD1 3.58Å; F914-L933 HydrophobicContact CE2-CD1 4.03Å; F914-L933 HydrophobicContact CG-CD1 4.48Å; L929-L933 HydrophobicContact CG-CD1 4.2Å; L929-L933 WeakPolarHBondContact O-CG 3.49Å; L929-L933 PolarHBondContact O-N 2.95Å; S930-L933 PolarHBondContact O-N 3.24Å; L933-F936 PolarHBondContact O-N 2.9Å; L933-G937 PolarHBondContact O-N 3.39Å
934N75.4Confident72.5Confident74 Ų7460.7 Ų60.740%0.39633%0.334SS..Hα-helixtrans-59.7-49.4177-73.8-35.9000111.5L911 S930 F936 G937 D938L911-N934 WeakPolarHBondContact CD2-OD1 3.48Å; S930-N934 WeakPolarHBondContact O-CB 3.48Å; S930-N934 VanDerWaalsContact O-CG 3.27Å; S930-N934 PolarHBondContact O-N 3.01Å; S930-N934 PolarHBondContact O-ND2 2.93Å; S930-N934 VanDerWaalsContact O-ND2 3.08Å; S930-N934 PolarHBondContact OG-ND2 3.12Å; N934-F936 PolarHBondContact O-N 3.48Å; N934-G937 CarbonylContact O-C 3.44Å; N934-G937 WeakPolarHBondContact O-CA 3.44Å; N934-G937 PolarHBondContact O-N 2.99Å; N934-D938 PolarHBondContact O-N 3.17Å
935T75.4Confident73.7Confident77 Ų7755.4 Ų55.447%0.47232%0.32SS..Hα-helixtrans-65.4-24.1178.151.40000113.6I931 A932 W939I931-T935 HydrophobicContact CG2-CG2 4.47Å; I931-T935 WeakPolarHBondContact O-CB 3.38Å; I931-T935 WeakPolarHBondContact O-CG2 3.38Å; I931-T935 PolarHBondContact O-N 3.46Å; I931-T935 PolarHBondContact O-OG1 3.45Å; A932-T935 PolarHBondContact O-OG1 2.93Å; T935-W939 WeakPolarHBondContact O-CB 3.35Å; T935-W939 PolarHBondContact O-N 3.25Å
936F80.8Confident75.1Confident26 Ų2655.3 Ų55.311%0.11431%0.313CS..Hα-helixtrans-77.5-34.5169.6-164.6-88.9000112.5L838 I841 R842 M907 A932 L933 N934 W939 L940L838-F936 HydrophobicContact CB-CD2 4.44Å; L838-F936 HydrophobicContact CB-CE2 4.15Å; L838-F936 HydrophobicContact CB-CZ 4.4Å; L838-F936 HydrophobicContact CD2-CB 4.33Å; L838-F936 HydrophobicContact CD2-CD1 3.58Å; L838-F936 HydrophobicContact CD2-CD2 4Å; L838-F936 HydrophobicContact CD2-CE1 3.73Å; L838-F936 HydrophobicContact CD2-CE2 4.14Å; L838-F936 HydrophobicContact CD2-CG 3.71Å; L838-F936 HydrophobicContact CD2-CZ 4.01Å; I841-F936 HydrophobicContact CB-CE1 4.36Å; I841-F936 HydrophobicContact CB-CZ 3.96Å; I841-F936 HydrophobicContact CG2-CE1 3.93Å; I841-F936 HydrophobicContact CG2-CZ 3.76Å; R842-F936 HydrophobicContact CB-CE2 4.45Å; M907-F936 HydrophobicContact CE-CD1 4.14Å; M907-F936 HydrophobicContact CE-CE1 4Å; M907-F936 HydrophobicContact CG-CD1 4.04Å; M907-F936 HydrophobicContact CG-CE1 4.43Å; M907-F936 HydrophobicContact SD-CD1 3.59Å; M907-F936 VanDerWaalsContact SD-CD1 3.59Å; M907-F936 HydrophobicContact SD-CE1 4.07Å; A932-F936 WeakPolarHBondContact O-CB 3.43Å; A932-F936 PolarHBondContact O-N 3.38Å; L933-F936 PolarHBondContact O-N 2.9Å; N934-F936 PolarHBondContact O-N 3.48Å; F936-W939 HydrophobicContact CD1-CE3 4.49Å; F936-W939 HydrophobicContact CD2-CE3 4.18Å; F936-W939 HydrophobicContact CE1-CE3 4.23Å; F936-W939 HydrophobicContact CE1-CZ3 4.17Å; F936-W939 AromaticContact CE2-CE3 3.89Å; F936-W939 HydrophobicContact CE2-CE3 3.89Å; F936-W939 AromaticContact CE2-CZ3 3.9Å; F936-W939 HydrophobicContact CE2-CZ3 3.9Å; F936-W939 HydrophobicContact CG-CE3 4.48Å; F936-W939 AromaticContact CZ-CE3 3.93Å; F936-W939 HydrophobicContact CZ-CE3 3.93Å; F936-W939 AromaticContact CZ-CZ3 3.64Å; F936-W939 HydrophobicContact CZ-CZ3 3.64Å; F936-W939 PolarHBondContact O-N 3.02Å; F936-L940 HydrophobicContact CD1-CD1 3.88Å; F936-L940 HydrophobicContact CD1-CG 4.29Å; F936-L940 HydrophobicContact CE1-CD1 3.64Å; F936-L940 HydrophobicContact CE1-CG 4.04Å; F936-L940 PolarHBondContact O-N 2.93Å
937G78.5Confident76.6Confident14 Ų1451 Ų5114%0.14429%0.293CS..Hα-helixtrans-62.9-42.5169.900000112.7L933 N934 L940 S941L933-G937 PolarHBondContact O-N 3.39Å; N934-G937 CarbonylContact O-C 3.44Å; N934-G937 WeakPolarHBondContact O-CA 3.44Å; N934-G937 PolarHBondContact O-N 2.99Å; G937-L940 PolarHBondContact O-N 3.41Å; G937-S941 WeakPolarHBondContact O-CB 2.98Å; G937-S941 PolarHBondContact O-N 3.02Å; G937-S941 PolarHBondContact O-OG 2.99Å
938D76Confident77.5Confident107 Ų10751.5 Ų51.557%0.57230%0.296SS*.Hα-helixtrans-59.5-46.4171.9-67.1-36.6000111N934 S941 A942N934-D938 PolarHBondContact O-N 3.17Å; D938-S941 WeakPolarHBondContact O-CB 3.46Å; D938-S941 PolarHBondContact O-N 3.38Å; D938-A942 PolarHBondContact O-N 2.94Å
939W85.6Confident77.9Confident87 Ų8753.3 Ų53.333%0.3330%0.299SS..Hα-helixtrans-62.5-43177.8174.876.3000112.7A845 T935 F936 S941 A942 L943A845-W939 HydrophobicContact CB-CH2 3.76Å; A845-W939 HydrophobicContact CB-CZ2 4.44Å; T935-W939 WeakPolarHBondContact O-CB 3.35Å; T935-W939 PolarHBondContact O-N 3.25Å; F936-W939 HydrophobicContact CD1-CE3 4.49Å; F936-W939 HydrophobicContact CD2-CE3 4.18Å; F936-W939 HydrophobicContact CE1-CE3 4.23Å; F936-W939 HydrophobicContact CE1-CZ3 4.17Å; F936-W939 AromaticContact CE2-CE3 3.89Å; F936-W939 HydrophobicContact CE2-CE3 3.89Å; F936-W939 AromaticContact CE2-CZ3 3.9Å; F936-W939 HydrophobicContact CE2-CZ3 3.9Å; F936-W939 HydrophobicContact CG-CE3 4.48Å; F936-W939 AromaticContact CZ-CE3 3.93Å; F936-W939 HydrophobicContact CZ-CE3 3.93Å; F936-W939 AromaticContact CZ-CZ3 3.64Å; F936-W939 HydrophobicContact CZ-CZ3 3.64Å; F936-W939 PolarHBondContact O-N 3.02Å; W939-S941 VanDerWaalsContact C-N 3.34Å; W939-A942 PolarHBondContact O-N 2.87Å; W939-L943 HydrophobicContact CH2-CD2 4.03Å; W939-L943 HydrophobicContact CZ2-CD2 4.12Å; W939-L943 WeakPolarHBondContact O-CB 3.41Å; W939-L943 PolarHBondContact O-N 3.33Å
940L85Confident78.2Confident2 Ų252.7 Ų52.71%0.0130%0.298CS..Hα-helixtrans-65.1-36.5173.1-87.3172.4000112.3I841 L900 W903 M907 F936 G937 L943 K944I841-L940 HydrophobicContact CG2-CD2 4.47Å; L900-L940 HydrophobicContact CD2-CD2 4.33Å; W903-L940 HydrophobicContact CB-CD1 4.06Å; W903-L940 HydrophobicContact CB-CD2 3.94Å; W903-L940 HydrophobicContact CE3-CD2 4.02Å; M907-L940 HydrophobicContact CG-CD1 3.5Å; M907-L940 VanDerWaalsContact CG-CD1 3.5Å; F936-L940 HydrophobicContact CD1-CD1 3.88Å; F936-L940 HydrophobicContact CD1-CG 4.29Å; F936-L940 HydrophobicContact CE1-CD1 3.64Å; F936-L940 HydrophobicContact CE1-CG 4.04Å; F936-L940 PolarHBondContact O-N 2.93Å; G937-L940 PolarHBondContact O-N 3.41Å; L940-L943 HydrophobicContact CD2-CD2 4.48Å; L940-L943 PolarHBondContact O-N 3.13Å; L940-K944 VanDerWaalsContact O-CB 3.28Å; L940-K944 WeakPolarHBondContact O-CB 3.42Å; L940-K944 PolarHBondContact O-N 3.37Å
941S79Confident78.8Confident71 Ų7153 Ų5350%0.49730%0.296SS..Hα-helixtrans-66.7-43.2177.4-61.50000111.7G937 D938 W939 K944 A945G937-S941 WeakPolarHBondContact O-CB 2.98Å; G937-S941 PolarHBondContact O-N 3.02Å; G937-S941 PolarHBondContact O-OG 2.99Å; D938-S941 WeakPolarHBondContact O-CB 3.46Å; D938-S941 PolarHBondContact O-N 3.38Å; W939-S941 VanDerWaalsContact C-N 3.34Å; S941-K944 PolarHBondContact O-N 2.97Å; S941-A945 PolarHBondContact O-N 3.32Å
942A77.8Confident78.9Confident55 Ų5556.5 Ų56.546%0.45530%0.303SS..Hα-helixtrans-63.5-39.3172.300000112.4D938 W939 A945 R946D938-A942 PolarHBondContact O-N 2.94Å; W939-A942 PolarHBondContact O-N 2.87Å; A942-A945 PolarHBondContact O-N 2.87Å; A942-R946 PolarHBondContact O-N 2.97Å
943L85.6Confident78.7Confident6 Ų657.9 Ų57.93%0.03131%0.31CS..Hα-helixtrans-65.9-38.3175.9-170.864.2000111.9A845 L848 L852 L900 W939 L940 H947A845-L943 HydrophobicContact CB-CD2 4.07Å; L848-L943 HydrophobicContact CD2-CD1 4.13Å; L848-L943 HydrophobicContact CD2-CD2 4.09Å; L848-L943 HydrophobicContact CD2-CG 3.98Å; L848-L943 HydrophobicContact CG-CD1 4.4Å; L852-L943 HydrophobicContact CD1-CD1 3.68Å; L900-L943 HydrophobicContact CD2-CB 4.39Å; L900-L943 HydrophobicContact CD2-CD2 3.94Å; L900-L943 HydrophobicContact CD2-CG 3.99Å; W939-L943 HydrophobicContact CH2-CD2 4.03Å; W939-L943 HydrophobicContact CZ2-CD2 4.12Å; W939-L943 WeakPolarHBondContact O-CB 3.41Å; W939-L943 PolarHBondContact O-N 3.33Å; L940-L943 HydrophobicContact CD2-CD2 4.48Å; L940-L943 PolarHBondContact O-N 3.13Å; L943-H947 VanDerWaalsContact O-CB 3.26Å; L943-H947 WeakPolarHBondContact O-CB 3.37Å; L943-H947 PolarHBondContact O-N 2.88Å
944K85.5Confident78.6Confident83 Ų8358 Ų5836%0.36131%0.311SS..Hα-helixtrans-66.9-38.4174.4-173176-177.4174.30112.3L940 S941 T948L940-K944 VanDerWaalsContact O-CB 3.28Å; L940-K944 WeakPolarHBondContact O-CB 3.42Å; L940-K944 PolarHBondContact O-N 3.37Å; S941-K944 PolarHBondContact O-N 2.97Å; K944-T948 WeakPolarHBondContact O-CB 3.37Å; K944-T948 PolarHBondContact O-N 3.29Å; K944-T948 PolarHBondContact O-OG1 3.39Å
945A74.4Confident78.5Confident61 Ų6157.6 Ų57.650%0.50431%0.309SS..Hα-helixtrans-64.1-50.8173.200000111.9S941 A942 H947 T948 M949S941-A945 PolarHBondContact O-N 3.32Å; A942-A945 PolarHBondContact O-N 2.87Å; A945-H947 VanDerWaalsContact C-N 3.34Å; A945-H947 PolarHBondContact O-N 2.95Å; A945-T948 PolarHBondContact O-N 3Å; A945-T948 VanDerWaalsContact O-N 3.17Å; A945-M949 PolarHBondContact O-N 2.92Å
946R82.2Confident78.1Confident89 Ų8960.3 Ų60.334%0.33631%0.311SS..Hα-helixtrans-60.2-41.3176.4-73.9174.166.5-176.61.8112.5L852 E856 A942 M949 A950L852-R946 HydrophobicContact CD1-CB 3.99Å; E856-R946 IonicContact OE1-CZ 2.66Å; E856-R946 VanDerWaalsContact OE1-CZ 3.24Å; E856-R946 IonicContact OE1-NE 3.34Å; E856-R946 PolarHBondContact OE1-NE 3.34Å; E856-R946 IonicContact OE1-NH2 3.41Å; E856-R946 PolarHBondContact OE1-NH2 3.49Å; E856-R946 IonicContact OE2-CZ 2.77Å; E856-R946 IonicContact OE2-NE 3.93Å; E856-R946 IonicContact OE2-NH2 3.76Å; E856-R946 PolarHBondContact OE2-NH2 2.9Å; A942-R946 PolarHBondContact O-N 2.97Å; R946-M949 PolarHBondContact O-N 3.38Å; R946-A950 WeakPolarHBondContact O-CB 3.49Å; R946-A950 PolarHBondContact O-N 3.35Å
947H88.9Confident77.4Confident11 Ų1161.5 Ų61.55%0.05131%0.314CS..Hα-helixtrans-59.2-45.7173.3169.7-89.6000112.8L893 G897 L900 L943 A945 M949 A950 L951L893-H947 PolarHBondContact O-NE2 3.12Å; G897-H947 VanDerWaalsContact CA-CE1 3.47Å; G897-H947 WeakPolarHBondContact CA-CE1 3.22Å; G897-H947 PolarHBondContact N-NE2 3.35Å; L900-H947 HydrophobicContact CD1-CB 3.48Å; L900-H947 VanDerWaalsContact CD1-CB 3.48Å; L943-H947 VanDerWaalsContact O-CB 3.26Å; L943-H947 WeakPolarHBondContact O-CB 3.37Å; L943-H947 PolarHBondContact O-N 2.88Å; A945-H947 VanDerWaalsContact C-N 3.34Å; A945-H947 PolarHBondContact O-N 2.95Å; H947-M949 PolarHBondContact O-N 3.18Å; H947-A950 PolarHBondContact O-N 3Å; H947-L951 WeakPolarHBondContact O-CB 3.33Å; H947-L951 PolarHBondContact O-N 3.27Å
948T78.3Confident77.1Confident85 Ų8561.1 Ų61.152%0.52131%0.309SS..Hα-helixtrans-62.5-43.1178.4-56.30000111.2K944 A945 L951 W952K944-T948 WeakPolarHBondContact O-CB 3.37Å; K944-T948 PolarHBondContact O-N 3.29Å; K944-T948 PolarHBondContact O-OG1 3.39Å; A945-T948 PolarHBondContact O-N 3Å; A945-T948 VanDerWaalsContact O-N 3.17Å; T948-L951 PolarHBondContact O-N 3.25Å; T948-W952 PolarHBondContact O-N 3.21Å
949M71.5Confident76.5Confident98 Ų9859.5 Ų59.548%0.48331%0.306SS..Hα-helixtrans-66.3-43.9177.4-166.8174.7-170.100112.2A945 R946 H947 L951 W952 V953 V1262A945-M949 PolarHBondContact O-N 2.92Å; R946-M949 PolarHBondContact O-N 3.38Å; H947-M949 PolarHBondContact O-N 3.18Å; M949-L951 PolarHBondContact O-N 2.71Å; M949-W952 PolarHBondContact O-N 3.28Å; M949-V953 WeakPolarHBondContact O-CG2 3.42Å; M949-V953 PolarHBondContact O-N 2.74Å; M949-V1262 HydrophobicContact CE-CB 4.29Å; M949-V1262 HydrophobicContact CE-CG2 4.05Å
950A74.6Confident75.3Confident12 Ų1257.2 Ų57.210%0.09930%0.3CS..Hα-helixtrans-62.1-41.317600000112.1L852 L855 L893 R946 H947 W952 V953 V954L852-A950 HydrophobicContact CD2-CB 3.47Å; L852-A950 VanDerWaalsContact CD2-CB 3.47Å; L855-A950 HydrophobicContact CD1-CB 4.11Å; L893-A950 HydrophobicContact CD1-CB 4.16Å; L893-A950 HydrophobicContact CD2-CB 4.2Å; R946-A950 WeakPolarHBondContact O-CB 3.49Å; R946-A950 PolarHBondContact O-N 3.35Å; H947-A950 PolarHBondContact O-N 3Å; A950-W952 VanDerWaalsContact C-N 3.34Å; A950-V953 PolarHBondContact O-N 2.98Å; A950-V954 WeakPolarHBondContact O-CG2 3.47Å; A950-V954 PolarHBondContact O-N 3.39Å
951L80.4Confident74.3Confident43 Ų4358.8 Ų58.823%0.22531%0.307CS..Hα-helixtrans-64.7-37.9175.8-177.161.7000111.9L893 H947 T948 M949 N955L893-L951 HydrophobicContact CB-CD1 4.14Å; L893-L951 HydrophobicContact CD1-CB 4.43Å; H947-L951 WeakPolarHBondContact O-CB 3.33Å; H947-L951 PolarHBondContact O-N 3.27Å; T948-L951 PolarHBondContact O-N 3.25Å; M949-L951 PolarHBondContact O-N 2.71Å; L951-N955 WeakPolarHBondContact O-CB 3.35Å; L951-N955 VanDerWaalsContact O-CG 3.31Å; L951-N955 PolarHBondContact O-N 2.77Å; L951-N955 PolarHBondContact O-ND2 3.2Å; L951-N955 VanDerWaalsContact O-ND2 3.12Å
952W72Confident73.7Confident170 Ų17059 Ų5964%0.64430%0.302SS*.Hα-helixtrans-63.7-48173.1-177.186.5000111.9T948 M949 A950 V954 N955 W956T948-W952 PolarHBondContact O-N 3.21Å; M949-W952 PolarHBondContact O-N 3.28Å; A950-W952 VanDerWaalsContact C-N 3.34Å; W952-V954 PolarHBondContact O-N 3.14Å; W952-N955 PolarHBondContact O-N 3.32Å; W952-W956 WeakPolarHBondContact O-CB 3.35Å; W952-W956 PolarHBondContact O-N 2.8Å
953V69.2Low72.9Confident44 Ų4461.5 Ų61.527%0.26730%0.304SS..Hα-helixtrans-60.8-43.7178172.60000111.8M949 A950 W956 R957M949-V953 WeakPolarHBondContact O-CG2 3.42Å; M949-V953 PolarHBondContact O-N 2.74Å; A950-V953 PolarHBondContact O-N 2.98Å; V953-W956 PolarHBondContact O-N 3.25Å; V953-R957 WeakPolarHBondContact O-CG 3.43Å; V953-R957 PolarHBondContact O-N 3.47Å
954V74Confident71.6Confident3 Ų362.5 Ų62.52%0.01831%0.309CS..Hα-helixtrans-67.2-41.8179171.40000111.5L855 L886 K890 L893 A950 W952 R957 S958L855-V954 HydrophobicContact CD1-CG2 4.31Å; L855-V954 HydrophobicContact CD2-CG2 4.13Å; L886-V954 HydrophobicContact CD2-CG1 4.25Å; K890-V954 HydrophobicContact CB-CG1 3.76Å; K890-V954 HydrophobicContact CG-CG1 4.47Å; L893-V954 HydrophobicContact CD1-CB 4.41Å; L893-V954 HydrophobicContact CD1-CG2 4.01Å; A950-V954 WeakPolarHBondContact O-CG2 3.47Å; A950-V954 PolarHBondContact O-N 3.39Å; W952-V954 PolarHBondContact O-N 3.14Å; V954-R957 PolarHBondContact O-N 3.48Å; V954-S958 WeakPolarHBondContact O-CB 3.39Å; V954-S958 PolarHBondContact O-N 3.26Å
955N73.6Confident70.5Confident65 Ų6563.1 Ų63.135%0.34832%0.32SS..Hα-helixtrans-65.5-38.4174.9-77.6-34.1000112.5K890 L951 W952 S958 S959K890-N955 WeakPolarHBondContact CE-OD1 3.5Å; L951-N955 WeakPolarHBondContact O-CB 3.35Å; L951-N955 VanDerWaalsContact O-CG 3.31Å; L951-N955 PolarHBondContact O-N 2.77Å; L951-N955 PolarHBondContact O-ND2 3.2Å; L951-N955 VanDerWaalsContact O-ND2 3.12Å; W952-N955 PolarHBondContact O-N 3.32Å; N955-S958 WeakPolarHBondContact O-CB 3.46Å; N955-S958 PolarHBondContact O-N 2.87Å; N955-S959 WeakPolarHBondContact O-CB 3.31Å; N955-S959 PolarHBondContact O-N 3.17Å
956W67.5Low69.8Low135 Ų13562 Ų6251%0.51131%0.314SS..Hα-helixtrans-64.5-46.9175.3178.182000111.7W952 V953 S958 S959 M960W952-W956 WeakPolarHBondContact O-CB 3.35Å; W952-W956 PolarHBondContact O-N 2.8Å; V953-W956 PolarHBondContact O-N 3.25Å; W956-S958 PolarHBondContact O-N 3.03Å; W956-S959 PolarHBondContact O-N 3.3Å; W956-M960 HydrophobicContact CD2-CG 4.46Å; W956-M960 HydrophobicContact CD2-SD 4.13Å; W956-M960 HydrophobicContact CE3-SD 4.16Å; W956-M960 HydrophobicContact CH2-SD 3.38Å; W956-M960 WeakPolarHBondContact CH2-SD 3.31Å; W956-M960 HydrophobicContact CZ2-CG 4.42Å; W956-M960 HydrophobicContact CZ2-SD 3.31Å; W956-M960 WeakPolarHBondContact CZ2-SD 3.42Å; W956-M960 HydrophobicContact CZ3-SD 3.8Å; W956-M960 PolarHBondContact O-N 3.23Å
957R66.5Low68.7Low51 Ų5158.9 Ų58.919%0.19230%0.303CS..Hα-helixtrans-59.7-46.5174.2-71.4-170.7-169.8-177.110.9111.7K858 V860 L886 V953 V954 S959 M960 F961K858-R957 PolarHBondContact O-NH2 2.87Å; V860-R957 VanDerWaalsContact CG2-NH1 3.35Å; L886-R957 HydrophobicContact CD1-CB 3.87Å; L886-R957 HydrophobicContact CD2-CB 4.04Å; V953-R957 WeakPolarHBondContact O-CG 3.43Å; V953-R957 PolarHBondContact O-N 3.47Å; V954-R957 PolarHBondContact O-N 3.48Å; R957-S959 PolarHBondContact O-N 3.02Å; R957-M960 PolarHBondContact O-N 2.91Å; R957-F961 WeakPolarHBondContact O-CD2 3.39Å; R957-F961 PolarHBondContact O-N 3.47Å
958S70.8Confident67.2Low5 Ų559.5 Ų59.54%0.03531%0.309CS..Hα-helixtrans-51.1-54.8174.1177.40000111R883 V954 N955 W956 M960 F961 D962R883-S958 PolarHBondContact NH2-OG 3Å; V954-S958 WeakPolarHBondContact O-CB 3.39Å; V954-S958 PolarHBondContact O-N 3.26Å; N955-S958 WeakPolarHBondContact O-CB 3.46Å; N955-S958 PolarHBondContact O-N 2.87Å; W956-S958 PolarHBondContact O-N 3.03Å; S958-M960 VanDerWaalsContact C-N 3.32Å; S958-M960 PolarHBondContact O-N 3.08Å; S958-F961 PolarHBondContact O-N 3.21Å; S958-F961 VanDerWaalsContact O-N 3.13Å; S958-D962 PolarHBondContact O-N 2.98Å; S958-D962 PolarHBondContact OG-OD2 2.87Å
959S64Low66.4Low74 Ų7463 Ų6352%0.51731%0.313SS..Hα-helixtrans-59.1-39.4-179.9-172.40000113N955 W956 R957 D962 H963N955-S959 WeakPolarHBondContact O-CB 3.31Å; N955-S959 PolarHBondContact O-N 3.17Å; W956-S959 PolarHBondContact O-N 3.3Å; R957-S959 PolarHBondContact O-N 3.02Å; S959-D962 PolarHBondContact O-N 3.36Å; S959-H963 VanDerWaalsContact O-CB 3.27Å; S959-H963 WeakPolarHBondContact O-CB 3.23Å; S959-H963 PolarHBondContact O-N 3.28Å
960M60.2Low65.8Low39 Ų3962 Ų6219%0.19231%0.31CS..Hα-helixtrans-63.3-43.9174.2-73.8-165.676.900113W956 R957 S958 H963 L964 L1058W956-M960 HydrophobicContact CD2-CG 4.46Å; W956-M960 HydrophobicContact CD2-SD 4.13Å; W956-M960 HydrophobicContact CE3-SD 4.16Å; W956-M960 HydrophobicContact CH2-SD 3.38Å; W956-M960 WeakPolarHBondContact CH2-SD 3.31Å; W956-M960 HydrophobicContact CZ2-CG 4.42Å; W956-M960 HydrophobicContact CZ2-SD 3.31Å; W956-M960 WeakPolarHBondContact CZ2-SD 3.42Å; W956-M960 HydrophobicContact CZ3-SD 3.8Å; W956-M960 PolarHBondContact O-N 3.23Å; R957-M960 PolarHBondContact O-N 2.91Å; S958-M960 VanDerWaalsContact C-N 3.32Å; S958-M960 PolarHBondContact O-N 3.08Å; M960-H963 PolarHBondContact O-N 3.43Å; M960-L964 WeakPolarHBondContact O-CB 3.48Å; M960-L964 WeakPolarHBondContact O-CD1 3.46Å; M960-L964 VanDerWaalsContact O-CG 3.22Å; M960-L964 WeakPolarHBondContact O-CG 3.28Å; M960-L964 PolarHBondContact O-N 3.45Å; M960-L1058 HydrophobicContact CE-CD1 3.88Å; M960-L1058 HydrophobicContact CE-CG 4.05Å
961F64.4Low65.1Low35 Ų3561.8 Ų61.815%0.15431%0.309CS..Hα-helixtrans-61.6-44.9176.3-88.8-79.8000111.5L879 E882 L886 R957 S958 L964 V965L879-F961 HydrophobicContact CD2-CE1 3.78Å; L879-F961 HydrophobicContact CD2-CZ 4.46Å; E882-F961 HydrophobicContact CB-CZ 4.29Å; E882-F961 HydrophobicContact CG-CE2 4.15Å; E882-F961 HydrophobicContact CG-CZ 3.94Å; L886-F961 HydrophobicContact CD1-CD2 3.65Å; L886-F961 HydrophobicContact CD1-CE2 3.64Å; R957-F961 WeakPolarHBondContact O-CD2 3.39Å; R957-F961 PolarHBondContact O-N 3.47Å; S958-F961 PolarHBondContact O-N 3.21Å; S958-F961 VanDerWaalsContact O-N 3.13Å; F961-L964 PolarHBondContact O-N 3.09Å; F961-V965 WeakPolarHBondContact O-CG2 3.4Å; F961-V965 PolarHBondContact O-N 3.11Å
962D66.7Low64.2Low75 Ų7561.4 Ų61.440%0.40131%0.307SS..Hα-helixtrans-66.3-40.1-178.1-56.5-29.3000110.9R883 S958 S959 V965 G966R883-D962 IonicContact CZ-OD1 3.77Å; R883-D962 IonicContact CZ-OD2 2.75Å; R883-D962 IonicContact NE-OD1 3.58Å; R883-D962 PolarHBondContact NE-OD1 3.45Å; R883-D962 IonicContact NH2-OD1 2.83Å; R883-D962 PolarHBondContact NH2-OD1 3.37Å; R883-D962 IonicContact NH2-OD2 3.74Å; R883-D962 PolarHBondContact NH2-OD2 3Å; S958-D962 PolarHBondContact O-N 2.98Å; S958-D962 PolarHBondContact OG-OD2 2.87Å; S959-D962 PolarHBondContact O-N 3.36Å; D962-V965 PolarHBondContact O-N 2.97Å; D962-G966 PolarHBondContact O-N 3.42Å
963H60.7Low64Low107 Ų10757.2 Ų57.250%0.49530%0.3SS..Hα-helixtrans-64.9-43.5174-176.436.1000112.9S959 M960 V965 G966 E967S959-H963 VanDerWaalsContact O-CB 3.27Å; S959-H963 WeakPolarHBondContact O-CB 3.23Å; S959-H963 PolarHBondContact O-N 3.28Å; M960-H963 PolarHBondContact O-N 3.43Å; H963-V965 PolarHBondContact O-N 3.27Å; H963-G966 PolarHBondContact O-N 3.44Å; H963-E967 VanDerWaalsContact CE1-CG 3.5Å; H963-E967 WeakPolarHBondContact CE1-CG 3.34Å; H963-E967 WeakPolarHBondContact O-CG 3.35Å; H963-E967 PolarHBondContact O-N 3.01Å
964L57.5Low63.8Low27 Ų2757.3 Ų57.314%0.14130%0.303CS..Hα-helixtrans-61.1-41.9176.1-77161.3000112.3M960 F961 S968 C1056 L1058 F1059M960-L964 WeakPolarHBondContact O-CB 3.48Å; M960-L964 WeakPolarHBondContact O-CD1 3.46Å; M960-L964 VanDerWaalsContact O-CG 3.22Å; M960-L964 WeakPolarHBondContact O-CG 3.28Å; M960-L964 PolarHBondContact O-N 3.45Å; F961-L964 PolarHBondContact O-N 3.09Å; L964-S968 VanDerWaalsContact O-CB 3.26Å; L964-S968 WeakPolarHBondContact O-CB 3.39Å; L964-S968 PolarHBondContact O-N 3.43Å; L964-S968 PolarHBondContact O-OG 2.72Å; L964-C1056 HydrophobicContact CD2-CB 3.96Å; L964-L1058 HydrophobicContact CD1-CD1 3.93Å; L964-F1059 HydrophobicContact CD2-CD2 4.17Å; L964-F1059 HydrophobicContact CD2-CE2 3.73Å
965V63.1Low63.4Low97 Ų9757.2 Ų57.259%0.58830%0.302SS*.Hα-helixtrans-63.6-48.5176.5171.30000109.9F961 D962 H963 S968 Y969F961-V965 WeakPolarHBondContact O-CG2 3.4Å; F961-V965 PolarHBondContact O-N 3.11Å; D962-V965 PolarHBondContact O-N 2.97Å; H963-V965 PolarHBondContact O-N 3.27Å; V965-S968 PolarHBondContact O-N 2.9Å; V965-S968 PolarHBondContact O-OG 3.01Å; V965-Y969 PolarHBondContact O-N 3.18Å; V965-Y969 VanDerWaalsContact O-N 3.08Å
966G60.5Low63.2Low36 Ų3658.1 Ų58.137%0.37131%0.306SS..Hα-helixtrans-57.8-52.4176.700000113.5D962 H963 S968 Y969 D970D962-G966 PolarHBondContact O-N 3.42Å; H963-G966 PolarHBondContact O-N 3.44Å; G966-S968 VanDerWaalsContact C-N 3.31Å; G966-S968 PolarHBondContact O-N 3.44Å; G966-Y969 PolarHBondContact O-N 2.94Å; G966-Y969 VanDerWaalsContact O-N 3.15Å; G966-D970 PolarHBondContact O-N 3.27Å
967E57.9Low63.3Low25 Ų2553 Ų5312%0.11730%0.295CS..Hα-helixtrans-63.2-35.8178.7-70.7-127.1113.800112.5H963 Y969 A971 R1052 C1056H963-E967 VanDerWaalsContact CE1-CG 3.5Å; H963-E967 WeakPolarHBondContact CE1-CG 3.34Å; H963-E967 WeakPolarHBondContact O-CG 3.35Å; H963-E967 PolarHBondContact O-N 3.01Å; E967-Y969 VanDerWaalsContact C-N 3.32Å; E967-Y969 PolarHBondContact O-N 3.24Å; E967-A971 WeakPolarHBondContact O-CB 3.46Å; E967-A971 PolarHBondContact O-N 3.11Å; E967-R1052 IonicContact OE1-NE 3.83Å; E967-R1052 IonicContact OE1-NH2 2.71Å; E967-R1052 PolarHBondContact OE1-NH2 3.39Å; E967-C1056 PolarHBondContact OE2-SG 3.13Å
968S57.7Low63.5Low23 Ų2351.8 Ų51.816%0.16129%0.292CS..Hα-helixtrans-64.7-36.4175.676.70000112.4L964 V965 G966 N972L964-S968 VanDerWaalsContact O-CB 3.26Å; L964-S968 WeakPolarHBondContact O-CB 3.39Å; L964-S968 PolarHBondContact O-N 3.43Å; L964-S968 PolarHBondContact O-OG 2.72Å; V965-S968 PolarHBondContact O-N 2.9Å; V965-S968 PolarHBondContact O-OG 3.01Å; G966-S968 VanDerWaalsContact C-N 3.31Å; G966-S968 PolarHBondContact O-N 3.44Å; S968-N972 VanDerWaalsContact O-CB 3.25Å; S968-N972 WeakPolarHBondContact O-CB 3.41Å; S968-N972 PolarHBondContact O-N 2.95Å; S968-N972 PolarHBondContact O-ND2 3.33Å
969Y61.6Low63.3Low159 Ų15953 Ų5362%0.62430%0.297SS*.Hα-helixtrans-70.9-49.5177-176.4-95.5000111.8V965 G966 E967 A971 N972 V973V965-Y969 PolarHBondContact O-N 3.18Å; V965-Y969 VanDerWaalsContact O-N 3.08Å; G966-Y969 PolarHBondContact O-N 2.94Å; G966-Y969 VanDerWaalsContact O-N 3.15Å; E967-Y969 VanDerWaalsContact C-N 3.32Å; E967-Y969 PolarHBondContact O-N 3.24Å; Y969-A971 VanDerWaalsContact C-N 3.29Å; Y969-A971 PolarHBondContact O-N 2.98Å; Y969-N972 WeakPolarHBondContact O-CB 3.41Å; Y969-N972 PolarHBondContact O-N 3.24Å; Y969-V973 HydrophobicContact CD1-CG2 4.46Å; Y969-V973 HydrophobicContact CE1-CG2 4.1Å; Y969-V973 WeakPolarHBondContact O-CG2 3.32Å; Y969-V973 PolarHBondContact O-N 3.48Å
970D58.5Low63.7Low76 Ų7654.4 Ų54.441%0.40630%0.295SS..Hα-helixtrans-52.7-47.4173.6-102.321.7000111.8G966 S974 R1052G966-D970 PolarHBondContact O-N 3.27Å; D970-S974 VanDerWaalsContact O-CB 3.3Å; D970-S974 WeakPolarHBondContact O-CB 3.2Å; D970-S974 PolarHBondContact O-N 3.39Å; D970-S974 PolarHBondContact O-OG 2.92Å; D970-R1052 IonicContact OD2-CZ 3.24Å; D970-R1052 IonicContact OD2-NH1 3.16Å; D970-R1052 IonicContact OD2-NH2 2.69Å; D970-R1052 PolarHBondContact OD2-NH2 3.05Å
971A60.4Low64.2Low9 Ų959.6 Ų59.67%0.07431%0.313CS..Hα-helixtrans-70.2-37.8-179.600000112.2E967 Y969 S974 L975 I1049 L1053 L1100E967-A971 WeakPolarHBondContact O-CB 3.46Å; E967-A971 PolarHBondContact O-N 3.11Å; Y969-A971 VanDerWaalsContact C-N 3.29Å; Y969-A971 PolarHBondContact O-N 2.98Å; A971-S974 PolarHBondContact O-N 2.75Å; A971-L975 WeakPolarHBondContact O-CB 3.44Å; A971-L975 PolarHBondContact O-N 3.48Å; A971-I1049 HydrophobicContact CB-CG2 4.12Å; A971-L1053 HydrophobicContact CB-CD1 4.21Å; A971-L1053 HydrophobicContact CB-CD2 3.67Å; A971-L1053 HydrophobicContact CB-CG 3.99Å; A971-L1100 HydrophobicContact CB-CD2 3.74Å
972N61Low64.4Low34 Ų3458 Ų5818%0.18231%0.306CS..Hα-helixtrans-58-51.1173.3-82.9-32.1000111.9S968 Y969 S974 L975 L976 C1095 L1100S968-N972 VanDerWaalsContact O-CB 3.25Å; S968-N972 WeakPolarHBondContact O-CB 3.41Å; S968-N972 PolarHBondContact O-N 2.95Å; S968-N972 PolarHBondContact O-ND2 3.33Å; Y969-N972 WeakPolarHBondContact O-CB 3.41Å; Y969-N972 PolarHBondContact O-N 3.24Å; N972-S974 VanDerWaalsContact C-N 3.33Å; N972-S974 PolarHBondContact O-N 3.4Å; N972-L975 PolarHBondContact O-N 3.47Å; N972-L976 WeakPolarHBondContact O-CB 3.41Å; N972-L976 PolarHBondContact O-N 2.76Å; N972-C1095 WeakPolarHBondContact OD1-CB 3.35Å; N972-C1095 PolarHBondContact OD1-SG 3.24Å; N972-C1095 VanDerWaalsContact OD1-SG 3.37Å; N972-L1100 VanDerWaalsContact OD1-CD1 3.29Å; N972-L1100 WeakPolarHBondContact OD1-CD1 3.48Å
973V67.2Low64.6Low82 Ų8258 Ų5850%0.49730%0.303SS..Hα-helixtrans-61.9-43.4178.6174.80000110.5Y969 L976 G977Y969-V973 HydrophobicContact CD1-CG2 4.46Å; Y969-V973 HydrophobicContact CE1-CG2 4.1Å; Y969-V973 WeakPolarHBondContact O-CG2 3.32Å; Y969-V973 PolarHBondContact O-N 3.48Å; V973-L976 PolarHBondContact O-N 2.83Å; V973-G977 PolarHBondContact O-N 2.75Å; V973-G977 VanDerWaalsContact O-N 3.11Å
974S66.3Low65.3Low47 Ų4756.1 Ų56.133%0.32930%0.299SS..Hα-helixtrans-63.7-43.1178.9-57.90000112.6D970 A971 N972 G977 M978 I1049D970-S974 VanDerWaalsContact O-CB 3.3Å; D970-S974 WeakPolarHBondContact O-CB 3.2Å; D970-S974 PolarHBondContact O-N 3.39Å; D970-S974 PolarHBondContact O-OG 2.92Å; A971-S974 PolarHBondContact O-N 2.75Å; N972-S974 VanDerWaalsContact C-N 3.33Å; N972-S974 PolarHBondContact O-N 3.4Å; S974-G977 PolarHBondContact O-N 3.27Å; S974-M978 WeakPolarHBondContact O-CG 3.41Å; S974-M978 PolarHBondContact O-N 3.04Å; S974-I1049 VanDerWaalsContact CB-CD1 3.47Å
975L66.2Low65.9Low1 Ų154.8 Ų54.81%0.00529%0.293CS..Hα-helixtrans-72-32.9178.6-102160.3000113.1A971 N972 M978 K979 L1046 I1049 L1100 F1103 L1107A971-L975 WeakPolarHBondContact O-CB 3.44Å; A971-L975 PolarHBondContact O-N 3.48Å; N972-L975 PolarHBondContact O-N 3.47Å; L975-M978 PolarHBondContact O-N 3.41Å; L975-K979 WeakPolarHBondContact O-CB 3.49Å; L975-K979 PolarHBondContact O-N 3.14Å; L975-L1046 HydrophobicContact CD2-CD1 3.64Å; L975-L1046 HydrophobicContact CG-CD1 4.44Å; L975-I1049 HydrophobicContact CD1-CG2 3.95Å; L975-I1049 HydrophobicContact CG-CD1 3.94Å; L975-I1049 HydrophobicContact CG-CG2 4.28Å; L975-L1100 HydrophobicContact CB-CD1 4.04Å; L975-L1100 HydrophobicContact CD1-CD1 3.41Å; L975-L1100 VanDerWaalsContact CD1-CD1 3.41Å; L975-L1100 HydrophobicContact CD1-CG 3.88Å; L975-L1100 HydrophobicContact CG-CD1 4.33Å; L975-F1103 HydrophobicContact CD2-CD1 3.96Å; L975-F1103 HydrophobicContact CD2-CE1 3.91Å; L975-L1107 HydrophobicContact CD2-CD2 3.94Å
976L68.7Low66.1Low84 Ų8451.2 Ų51.244%0.4427%0.27SS..Hα-helixtrans-63.2-43.8172.1-176.561.5000111.2N972 V973 K979 I1092N972-L976 WeakPolarHBondContact O-CB 3.41Å; N972-L976 PolarHBondContact O-N 2.76Å; V973-L976 PolarHBondContact O-N 2.83Å; L976-K979 PolarHBondContact O-N 3.46Å; L976-I1092 HydrophobicContact CB-CG2 4.39Å; L976-I1092 HydrophobicContact CD1-CB 4.3Å; L976-I1092 HydrophobicContact CD1-CD1 3.85Å; L976-I1092 HydrophobicContact CD1-CG2 4.16Å
977G70.1Confident66.7Low27 Ų2754.8 Ų54.828%0.27828%0.276SS..Hα-helixtrans-64.1-38173.700000113.3V973 S974 R981V973-G977 PolarHBondContact O-N 2.75Å; V973-G977 VanDerWaalsContact O-N 3.11Å; S974-G977 PolarHBondContact O-N 3.27Å; G977-R981 PolarHBondContact O-N 3.22Å
978M69.1Low67.2Low26 Ų2659.3 Ų59.313%0.12829%0.292CS..Hα-helixtrans-70.5-36.9175.5-71.7-172.7-166.600113S974 L975 Q980 R981 V982 N1045 L1046 I1049S974-M978 WeakPolarHBondContact O-CG 3.41Å; S974-M978 PolarHBondContact O-N 3.04Å; L975-M978 PolarHBondContact O-N 3.41Å; M978-Q980 VanDerWaalsContact C-N 3.29Å; M978-Q980 PolarHBondContact O-N 3.45Å; M978-R981 PolarHBondContact O-N 2.88Å; M978-V982 WeakPolarHBondContact O-CB 3.47Å; M978-V982 VanDerWaalsContact O-CG2 3.28Å; M978-V982 WeakPolarHBondContact O-CG2 3.3Å; M978-V982 PolarHBondContact O-N 3.19Å; M978-N1045 HydrophobicContact CE-CB 3.66Å; M978-N1045 HydrophobicContact SD-CB 4.15Å; M978-L1046 HydrophobicContact SD-CB 4.37Å; M978-I1049 HydrophobicContact CE-CD1 3.49Å; M978-I1049 VanDerWaalsContact CE-CD1 3.49Å; M978-I1049 HydrophobicContact CE-CG1 3.94Å; M978-I1049 HydrophobicContact CG-CD1 4.41Å; M978-I1049 HydrophobicContact SD-CD1 3.45Å; M978-I1049 WeakPolarHBondContact SD-CD1 3.45Å; M978-I1049 HydrophobicContact SD-CG1 4.25Å
979K67.9Low67.6Low31 Ų3158.2 Ų58.214%0.13529%0.285CS..Hα-helixtrans-51.3-49175.7178.2179.6177.8178.80111.3L975 L976 V982 Q983 L1088 V1090 I1092 F1103L975-K979 WeakPolarHBondContact O-CB 3.49Å; L975-K979 PolarHBondContact O-N 3.14Å; L976-K979 PolarHBondContact O-N 3.46Å; K979-V982 PolarHBondContact O-N 2.83Å; K979-Q983 WeakPolarHBondContact O-CB 3.46Å; K979-Q983 VanDerWaalsContact O-CG 3.32Å; K979-Q983 WeakPolarHBondContact O-CG 3.36Å; K979-Q983 PolarHBondContact O-N 3.01Å; K979-L1088 WeakPolarHBondContact CE-O 3.22Å; K979-L1088 PolarHBondContact NZ-O 2.64Å; K979-V1090 PolarHBondContact NZ-O 3.46Å; K979-I1092 HydrophobicContact CB-CD1 4.37Å; K979-I1092 HydrophobicContact CD-CD1 3.62Å; K979-F1103 HydrophobicContact CB-CE1 4.35Å; K979-F1103 HydrophobicContact CB-CZ 4.03Å; K979-F1103 HydrophobicContact CD-CZ 3.85Å; K979-F1103 HydrophobicContact CG-CZ 3.95Å
980Q72.2Confident67.7Low102 Ų10252.5 Ų52.548%0.47726%0.264SS..Hα-helixtrans-63.5-45179.5-67.3-179.2-1700112.8M978 Q983 T984M978-Q980 VanDerWaalsContact C-N 3.29Å; M978-Q980 PolarHBondContact O-N 3.45Å; Q980-Q983 PolarHBondContact O-N 2.84Å; Q980-T984 PolarHBondContact O-N 2.79Å; Q980-T984 PolarHBondContact O-OG1 3.36Å
981R71Confident68.1Low149 Ų14952 Ų5256%0.56226%0.259SS*.Hα-helixtrans-64.3-43.8178.1-65.2-178.6-174.7-174.52.2111.8G977 M978 T984 A985 L1042G977-R981 PolarHBondContact O-N 3.22Å; M978-R981 PolarHBondContact O-N 2.88Å; R981-T984 PolarHBondContact O-N 2.85Å; R981-A985 WeakPolarHBondContact O-CB 3.46Å; R981-A985 PolarHBondContact O-N 3.13Å; R981-L1042 HydrophobicContact CB-CD1 4.34Å; R981-L1042 HydrophobicContact CB-CD2 3.69Å
982V67.8Low68.3Low1 Ų152.1 Ų52.11%0.00626%0.259CS..Hα-helixtrans-63.5-42.8176.81730000111.1M978 K979 T984 A985 I986 L1042 L1107 I1111M978-V982 WeakPolarHBondContact O-CB 3.47Å; M978-V982 VanDerWaalsContact O-CG2 3.28Å; M978-V982 WeakPolarHBondContact O-CG2 3.3Å; M978-V982 PolarHBondContact O-N 3.19Å; K979-V982 PolarHBondContact O-N 2.83Å; V982-T984 VanDerWaalsContact C-N 3.32Å; V982-T984 PolarHBondContact O-N 3.11Å; V982-A985 PolarHBondContact O-N 2.95Å; V982-I986 HydrophobicContact CG1-CD1 3.61Å; V982-I986 HydrophobicContact CG1-CG1 4.26Å; V982-I986 VanDerWaalsContact O-CB 3.27Å; V982-I986 WeakPolarHBondContact O-CB 3.22Å; V982-I986 WeakPolarHBondContact O-CG1 3.47Å; V982-I986 PolarHBondContact O-N 2.99Å; V982-L1042 HydrophobicContact CG2-CB 4.13Å; V982-L1042 HydrophobicContact CG2-CD1 4.06Å; V982-L1042 HydrophobicContact CG2-CD2 4.2Å; V982-L1042 HydrophobicContact CG2-CG 4.37Å; V982-L1107 HydrophobicContact CB-CD1 4.17Å; V982-L1107 HydrophobicContact CG1-CD1 3.77Å; V982-L1107 HydrophobicContact CG1-CG 4.2Å; V982-L1107 HydrophobicContact CG2-CD2 4.17Å; V982-L1107 HydrophobicContact CG2-CG 4.35Å; V982-I1111 HydrophobicContact CG1-CD1 4.17Å; V982-I1111 HydrophobicContact CG1-CG1 3.84Å; V982-I1111 HydrophobicContact CG2-CD1 3.75Å; V982-I1111 HydrophobicContact CG2-CG1 4.26Å
983Q71.3Confident68.4Low74 Ų7451.7 Ų51.735%0.34626%0.257SS..Hα-helixtrans-59.7-41.3172.9-74.4179-85.800112.2K979 Q980 H987 L1088K979-Q983 WeakPolarHBondContact O-CB 3.46Å; K979-Q983 VanDerWaalsContact O-CG 3.32Å; K979-Q983 WeakPolarHBondContact O-CG 3.36Å; K979-Q983 PolarHBondContact O-N 3.01Å; Q980-Q983 PolarHBondContact O-N 2.84Å; Q983-H987 WeakPolarHBondContact O-CB 3.26Å; Q983-H987 PolarHBondContact O-N 3.33Å; Q983-L1088 HydrophobicContact CG-CB 4.47Å; Q983-L1088 HydrophobicContact CG-CD1 3.84Å
984T74.9Confident68.4Low68 Ų6852.9 Ų52.942%0.41726%0.255SS..Hα-helixtrans-67.3-47.1178.9-52.80000112Q980 R981 V982 H987 R988Q980-T984 PolarHBondContact O-N 2.79Å; Q980-T984 PolarHBondContact O-OG1 3.36Å; R981-T984 PolarHBondContact O-N 2.85Å; V982-T984 VanDerWaalsContact C-N 3.32Å; V982-T984 PolarHBondContact O-N 3.11Å; T984-H987 PolarHBondContact O-N 2.89Å; T984-R988 WeakPolarHBondContact O-CG 3.47Å; T984-R988 PolarHBondContact O-N 3.44Å
985A71.1Confident68.2Low0 Ų055.4 Ų55.40%026%0.262CS..Hα-helixtrans-65.3-38178.200000112.1R981 V982 R988 A989 E1038 L1039 L1042R981-A985 WeakPolarHBondContact O-CB 3.46Å; R981-A985 PolarHBondContact O-N 3.13Å; V982-A985 PolarHBondContact O-N 2.95Å; A985-R988 PolarHBondContact O-N 3.19Å; A985-A989 WeakPolarHBondContact O-CB 3.37Å; A985-A989 PolarHBondContact O-N 3.41Å; A985-E1038 HydrophobicContact CB-CG 4.05Å; A985-L1039 HydrophobicContact CB-CD2 3.79Å; A985-L1039 HydrophobicContact CB-CG 4.21Å; A985-L1042 HydrophobicContact CB-CD1 3.7Å
986I67.1Low67.7Low22 Ų2256.7 Ų56.711%0.11327%0.268CS..Hα-helixtrans-61.2-48.1172.6-73.7172.7000110.8V982 R988 A989 Q990 L1039 M1114V982-I986 HydrophobicContact CG1-CD1 3.61Å; V982-I986 HydrophobicContact CG1-CG1 4.26Å; V982-I986 VanDerWaalsContact O-CB 3.27Å; V982-I986 WeakPolarHBondContact O-CB 3.22Å; V982-I986 WeakPolarHBondContact O-CG1 3.47Å; V982-I986 PolarHBondContact O-N 2.99Å; I986-R988 VanDerWaalsContact C-N 3.33Å; I986-R988 PolarHBondContact O-N 2.88Å; I986-A989 PolarHBondContact O-N 2.87Å; I986-Q990 HydrophobicContact CG2-CG 4.42Å; I986-Q990 VanDerWaalsContact O-CG 3.29Å; I986-Q990 WeakPolarHBondContact O-CG 3.47Å; I986-Q990 PolarHBondContact O-N 2.72Å; I986-L1039 HydrophobicContact CG1-CD2 4.39Å; I986-M1114 HydrophobicContact CB-CE 4.16Å; I986-M1114 HydrophobicContact CB-SD 4.46Å; I986-M1114 HydrophobicContact CD1-CG 4.44Å; I986-M1114 HydrophobicContact CG1-CE 4.04Å; I986-M1114 HydrophobicContact CG1-CG 4.05Å; I986-M1114 HydrophobicContact CG1-SD 4.09Å; I986-M1114 HydrophobicContact CG2-CE 4.06Å; I986-M1114 HydrophobicContact CG2-SD 3.96Å
987H72.3Confident67Low110 Ų11056.4 Ų56.451%0.50927%0.267SS..Hα-helixtrans-63.3-38.2179-166.9-35.9000112Q983 T984 Q990 E991Q983-H987 WeakPolarHBondContact O-CB 3.26Å; Q983-H987 PolarHBondContact O-N 3.33Å; T984-H987 PolarHBondContact O-N 2.89Å; H987-Q990 PolarHBondContact O-N 3.44Å; H987-E991 IonicContact CE1-OE1 3.94Å; H987-E991 IonicContact ND1-OE1 3.07Å; H987-E991 PolarHBondContact O-N 2.85Å; H987-E991 VanDerWaalsContact O-N 3.13Å
988R68.9Low66.1Low120 Ų12061.4 Ų61.445%0.45328%0.283SS..Hα-helixtrans-60.5-51.6172.9-73177.2-176.3151.73111.6T984 A985 I986 Q990 E991 V992 T1035 E1038T984-R988 WeakPolarHBondContact O-CG 3.47Å; T984-R988 PolarHBondContact O-N 3.44Å; A985-R988 PolarHBondContact O-N 3.19Å; I986-R988 VanDerWaalsContact C-N 3.33Å; I986-R988 PolarHBondContact O-N 2.88Å; R988-Q990 VanDerWaalsContact C-N 3.27Å; R988-Q990 PolarHBondContact O-N 3.06Å; R988-E991 PolarHBondContact O-N 3.45Å; R988-E991 VanDerWaalsContact O-N 3.09Å; R988-V992 WeakPolarHBondContact O-CG2 3.26Å; R988-V992 PolarHBondContact O-N 2.97Å; R988-T1035 HydrophobicContact CB-CG2 3.99Å; R988-E1038 IonicContact CZ-OE2 3.91Å; R988-E1038 IonicContact NH1-OE1 2.72Å; R988-E1038 PolarHBondContact NH1-OE1 2.97Å; R988-E1038 IonicContact NH1-OE2 2.74Å; R988-E1038 PolarHBondContact NH1-OE2 3.08Å
989A65.1Low64.9Low0 Ų062.6 Ų62.60%029%0.294CS..Hα-helixtrans-59.9-37.418000000112.5A985 I986 L993 T1035 L1039 M1114 L1118A985-A989 WeakPolarHBondContact O-CB 3.37Å; A985-A989 PolarHBondContact O-N 3.41Å; I986-A989 PolarHBondContact O-N 2.87Å; A989-L993 WeakPolarHBondContact O-CB 3.31Å; A989-L993 WeakPolarHBondContact O-CG 3.05Å; A989-L993 PolarHBondContact O-N 3.06Å; A989-T1035 HydrophobicContact CB-CG2 3.76Å; A989-L1039 HydrophobicContact CB-CD1 4.07Å; A989-M1114 HydrophobicContact CB-CE 3.37Å; A989-L1118 HydrophobicContact CB-CD1 4.06Å; A989-L1118 HydrophobicContact CB-CD2 4.33Å
990Q65.1Low63.3Low39 Ų3968.1 Ų68.118%0.18232%0.315CS..Hα-helixtrans-61.9-43.5173.1-73.1171.2-1.100112.4I986 H987 R988 L993 K994 Y1084I986-Q990 HydrophobicContact CG2-CG 4.42Å; I986-Q990 VanDerWaalsContact O-CG 3.29Å; I986-Q990 WeakPolarHBondContact O-CG 3.47Å; I986-Q990 PolarHBondContact O-N 2.72Å; H987-Q990 PolarHBondContact O-N 3.44Å; R988-Q990 VanDerWaalsContact C-N 3.27Å; R988-Q990 PolarHBondContact O-N 3.06Å; Q990-L993 PolarHBondContact O-N 3.22Å; Q990-K994 WeakPolarHBondContact O-CG 3.21Å; Q990-K994 PolarHBondContact O-N 2.81Å; Q990-Y1084 HydrophobicContact CG-CD1 4.28Å; Q990-Y1084 PolarHBondContact NE2-O 3.08Å
991E66.5Low61.7Low67 Ų6768.9 Ų68.931%0.31332%0.322SS..Hα-helixtrans-67-41.8177.4-67.6-51.7127.800112.6H987 R988 L993 K994 Q995H987-E991 IonicContact CE1-OE1 3.94Å; H987-E991 IonicContact ND1-OE1 3.07Å; H987-E991 PolarHBondContact O-N 2.85Å; H987-E991 VanDerWaalsContact O-N 3.13Å; R988-E991 PolarHBondContact O-N 3.45Å; R988-E991 VanDerWaalsContact O-N 3.09Å; E991-L993 VanDerWaalsContact C-N 3.34Å; E991-L993 PolarHBondContact O-N 3.38Å; E991-K994 WeakPolarHBondContact O-CB 3.4Å; E991-K994 PolarHBondContact O-N 3.2Å; E991-K994 IonicContact OE1-NZ 2.69Å; E991-K994 PolarHBondContact OE1-NZ 3.12Å; E991-K994 IonicContact OE2-NZ 3.06Å; E991-Q995 WeakPolarHBondContact O-CG 3.5Å; E991-Q995 PolarHBondContact O-N 3Å
992V65Low60.2Low10 Ų1069 Ų696%0.06133%0.329CS..Hα-helixtrans-67.6-37176.7-167.40000110.9R988 Q995 L996 F1032R988-V992 WeakPolarHBondContact O-CG2 3.26Å; R988-V992 PolarHBondContact O-N 2.97Å; V992-Q995 PolarHBondContact O-N 3.18Å; V992-L996 HydrophobicContact CG1-CD1 4.16Å; V992-L996 HydrophobicContact CG1-CG 4.49Å; V992-L996 WeakPolarHBondContact O-CB 3.46Å; V992-L996 VanDerWaalsContact O-CG 3.27Å; V992-L996 WeakPolarHBondContact O-CG 3.48Å; V992-L996 PolarHBondContact O-N 3.05Å; V992-F1032 HydrophobicContact CB-CD2 4.46Å; V992-F1032 HydrophobicContact CG1-CB 4.07Å; V992-F1032 HydrophobicContact CG1-CD2 3.75Å; V992-F1032 HydrophobicContact CG1-CG 4.42Å
993L62.8Low58.6Low26 Ų2675 Ų7514%0.13636%0.355CS..Hα-helixtrans-61.5-42.4171.7-86163.8000112.4A989 Q990 E991 L996 L997 L1118 A1121A989-L993 WeakPolarHBondContact O-CB 3.31Å; A989-L993 WeakPolarHBondContact O-CG 3.05Å; A989-L993 PolarHBondContact O-N 3.06Å; Q990-L993 PolarHBondContact O-N 3.22Å; E991-L993 VanDerWaalsContact C-N 3.34Å; E991-L993 PolarHBondContact O-N 3.38Å; L993-L996 PolarHBondContact O-N 3.19Å; L993-L997 WeakPolarHBondContact O-CB 3.47Å; L993-L997 WeakPolarHBondContact O-CG 3.3Å; L993-L997 PolarHBondContact O-N 2.96Å; L993-L1118 HydrophobicContact CD1-CD2 3.83Å; L993-L1118 HydrophobicContact CD1-CG 4.49Å; L993-L1118 HydrophobicContact CD2-CD2 4.39Å; L993-L1118 HydrophobicContact CG-CD2 3.88Å; L993-A1121 HydrophobicContact CD2-CB 4.01Å
994K66.2Low57.1Low106 Ų10675.8 Ų75.846%0.46137%0.365SS..Hα-helixtrans-58.6-47.6174.6-74.8171-172.51720111.8Q990 E991 L996 L997 Q998Q990-K994 WeakPolarHBondContact O-CG 3.21Å; Q990-K994 PolarHBondContact O-N 2.81Å; E991-K994 WeakPolarHBondContact O-CB 3.4Å; E991-K994 PolarHBondContact O-N 3.2Å; E991-K994 IonicContact OE1-NZ 2.69Å; E991-K994 PolarHBondContact OE1-NZ 3.12Å; E991-K994 IonicContact OE2-NZ 3.06Å; K994-L996 PolarHBondContact O-N 3.21Å; K994-L997 PolarHBondContact O-N 3.1Å; K994-Q998 WeakPolarHBondContact O-CB 3.34Å; K994-Q998 WeakPolarHBondContact O-CG 3.46Å; K994-Q998 PolarHBondContact O-N 2.77Å
995Q62.5Low55.4Low101 Ų10177.1 Ų77.147%0.47238%0.378SS..Hα-helixtrans-61.8-43179.2-68.3174.918.200111.9E991 V992 L997 S999E991-Q995 WeakPolarHBondContact O-CG 3.5Å; E991-Q995 PolarHBondContact O-N 3Å; V992-Q995 PolarHBondContact O-N 3.18Å; Q995-L997 VanDerWaalsContact C-N 3.34Å; Q995-L997 PolarHBondContact O-N 2.86Å; Q995-S999 PolarHBondContact O-N 2.75Å
996L55.2Low53.8Low28 Ų2880.7 Ų80.715%0.14740%0.402CS..Hα-helixtrans-64.9-35.5176.6-69.6169.5000112.6V992 L993 K994 S999 F1032V992-L996 HydrophobicContact CG1-CD1 4.16Å; V992-L996 HydrophobicContact CG1-CG 4.49Å; V992-L996 WeakPolarHBondContact O-CB 3.46Å; V992-L996 VanDerWaalsContact O-CG 3.27Å; V992-L996 WeakPolarHBondContact O-CG 3.48Å; V992-L996 PolarHBondContact O-N 3.05Å; L993-L996 PolarHBondContact O-N 3.19Å; K994-L996 PolarHBondContact O-N 3.21Å; L996-S999 PolarHBondContact O-OG 3.1Å; L996-F1032 HydrophobicContact CD1-CD2 3.53Å; L996-F1032 HydrophobicContact CD1-CE2 3.56Å
997L54.3Low52.4Low78 Ų7884.2 Ų84.241%0.40843%0.425SS..Hα-helixtrans-75.1-43.1176.4-80.4158.4000113L993 K994 Q995 S999 Y1000 D1001 F1081L993-L997 WeakPolarHBondContact O-CB 3.47Å; L993-L997 WeakPolarHBondContact O-CG 3.3Å; L993-L997 PolarHBondContact O-N 2.96Å; K994-L997 PolarHBondContact O-N 3.1Å; Q995-L997 VanDerWaalsContact C-N 3.34Å; Q995-L997 PolarHBondContact O-N 2.86Å; L997-S999 VanDerWaalsContact C-N 3.26Å; L997-S999 PolarHBondContact O-N 2.71Å; L997-Y1000 WeakPolarHBondContact O-CA 3.25Å; L997-Y1000 VanDerWaalsContact O-CB 3.3Å; L997-Y1000 WeakPolarHBondContact O-CB 3.4Å; L997-Y1000 PolarHBondContact O-N 3.27Å; L997-D1001 PolarHBondContact O-N 2.89Å; L997-F1081 HydrophobicContact CD1-CE1 3.85Å; L997-F1081 HydrophobicContact CD1-CZ 3.88Å
998Q51.6Low50.8Low132 Ų13286.8 Ų86.862%0.61744%0.442SS*.Hα-helixtrans-59.7-36.1177.3-76.4-175.9-54.600112.4K994 Y1000 D1001 E1002K994-Q998 WeakPolarHBondContact O-CB 3.34Å; K994-Q998 WeakPolarHBondContact O-CG 3.46Å; K994-Q998 PolarHBondContact O-N 2.77Å; Q998-Y1000 PolarHBondContact O-N 2.92Å; Q998-D1001 PolarHBondContact O-N 3.26Å; Q998-E1002 PolarHBondContact O-N 3.4Å
999S43.4Very low49.4Very low51 Ų5186.7 Ų86.736%0.35745%0.451SS..Hα-helixtrans-62.3-20.4173.573.90000114.1Q995 L996 L997 F1003Q995-S999 PolarHBondContact O-N 2.75Å; L996-S999 PolarHBondContact O-OG 3.1Å; L997-S999 VanDerWaalsContact C-N 3.26Å; L997-S999 PolarHBondContact O-N 2.71Å; S999-F1003 WeakPolarHBondContact O-CD2 3.38Å
1000Y34.3Very low48.1Very low147 Ų14790.9 Ų90.958%0.57647%0.472SS*.Hα-helixtrans-86-39.6179.3-135.1-94.7000112L997 Q998 F1003 T1004L997-Y1000 WeakPolarHBondContact O-CA 3.25Å; L997-Y1000 VanDerWaalsContact O-CB 3.3Å; L997-Y1000 WeakPolarHBondContact O-CB 3.4Å; L997-Y1000 PolarHBondContact O-N 3.27Å; Q998-Y1000 PolarHBondContact O-N 2.92Å; Y1000-F1003 PolarHBondContact O-N 3.02Å; Y1000-T1004 HydrophobicContact CD1-CG2 4.47Å; Y1000-T1004 WeakPolarHBondContact O-CG2 3.43Å; Y1000-T1004 PolarHBondContact O-N 3.39Å; Y1000-T1004 VanDerWaalsContact O-N 3.15Å
1001D38.7Very low46.9Very low117 Ų11796.5 Ų96.563%0.62650%0.504SS*.Hα-helixtrans-63.1-44179-72.4-25.9000111.5L997 Q998 F1003 T1004L997-D1001 PolarHBondContact O-N 2.89Å; Q998-D1001 PolarHBondContact O-N 3.26Å; D1001-F1003 PolarHBondContact O-N 3.03Å; D1001-T1004 PolarHBondContact O-N 3.35Å; D1001-T1004 PolarHBondContact O-OG1 2.62Å
1002E40.5Very low45.5Very low153 Ų153100.7 Ų100.772%0.71552%0.523SS*.Hα-helixtrans-60.8-42.9174.1-71.3-166.9140.300112Q998 T1004 S1005Q998-E1002 PolarHBondContact O-N 3.4Å; E1002-T1004 VanDerWaalsContact C-N 3.26Å; E1002-T1004 PolarHBondContact O-N 2.87Å; E1002-S1005 WeakPolarHBondContact O-CB 3.3Å; E1002-S1005 PolarHBondContact O-N 2.72Å; E1002-S1005 VanDerWaalsContact O-N 3.14Å; E1002-S1005 PolarHBondContact O-OG 3.3Å
1003F34.2Very low44Very low126 Ų126102.4 Ų102.455%0.55354%0.535SS*.Hα-helixtrans-65.2-24.5-179.6-105.8-88000114S999 Y1000 D1001 S1005 L1021S999-F1003 WeakPolarHBondContact O-CD2 3.38Å; Y1000-F1003 PolarHBondContact O-N 3.02Å; D1001-F1003 PolarHBondContact O-N 3.03Å; F1003-S1005 VanDerWaalsContact C-N 3.27Å; F1003-S1005 PolarHBondContact O-N 2.9Å; F1003-L1021 HydrophobicContact CZ-CD1 4.06Å
1004T38.6Very low42.7Very low91 Ų91105.2 Ų105.256%0.55855%0.55SS*.THydrogen-bonded Turntrans-79.6-4.3176.159.70000114.6Y1000 D1001 E1002Y1000-T1004 HydrophobicContact CD1-CG2 4.47Å; Y1000-T1004 WeakPolarHBondContact O-CG2 3.43Å; Y1000-T1004 PolarHBondContact O-N 3.39Å; Y1000-T1004 VanDerWaalsContact O-N 3.15Å; D1001-T1004 PolarHBondContact O-N 3.35Å; D1001-T1004 PolarHBondContact O-OG1 2.62Å; E1002-T1004 VanDerWaalsContact C-N 3.26Å; E1002-T1004 PolarHBondContact O-N 2.87Å
1005S40.4Very low41.3Very low96 Ų96106.9 Ų106.967%0.67156%0.564SS**THydrogen-bonded Turntrans-98-10.5-172.373.30000116.1E1002 F1003E1002-S1005 WeakPolarHBondContact O-CB 3.3Å; E1002-S1005 PolarHBondContact O-N 2.72Å; E1002-S1005 VanDerWaalsContact O-N 3.14Å; E1002-S1005 PolarHBondContact O-OG 3.3Å; F1003-S1005 VanDerWaalsContact C-N 3.27Å; F1003-S1005 PolarHBondContact O-N 2.9Å
1006S37.9Very low40.1Very low74 Ų74108.4 Ų108.452%0.51757%0.571SS.*  trans-113.323.4-16558.80000115.1D1008S1006-D1008 VanDerWaalsContact C-N 3.27Å; S1006-D1008 PolarHBondContact O-N 3.07Å
1007T37.8Very low39.2Very low97 Ų97110.1 Ų110.160%0.59558%0.579SS**G310 helixtrans-62.2-15.9-163.49.40000117.4N1009 I1010T1007-N1009 PolarHBondContact O-N 3.34Å; T1007-I1010 HydrophobicContact CG2-CD1 4.18Å
1008D37.5Very low38.3Very low163 Ų163114 Ų11487%0.87260%0.595SS**G310 helixtrans-85.3-2-170.4-75.6-24000115.7S1006S1006-D1008 VanDerWaalsContact C-N 3.27Å; S1006-D1008 PolarHBondContact O-N 3.07Å
1009N38.9Very low37.5Very low118 Ų118111.2 Ų111.263%0.63159%0.59SS**G310 helixtrans-128.513.5-170.5-124-2.1000115.4T1007 D1011 H1012T1007-N1009 PolarHBondContact O-N 3.34Å; N1009-D1011 PolarHBondContact O-N 3.2Å; N1009-H1012 PolarHBondContact O-N 2.71Å
1010I38Very low37Very low88 Ų88114.1 Ų114.145%0.45160%0.602SS.*Hα-helixtrans-60.7-40.9-163.2-66.5173.5000114T1007 H1012 C1013 L1014T1007-I1010 HydrophobicContact CG2-CD1 4.18Å; I1010-H1012 VanDerWaalsContact C-N 3.25Å; I1010-H1012 PolarHBondContact O-N 2.69Å; I1010-H1012 VanDerWaalsContact O-N 3.14Å; I1010-C1013 PolarHBondContact O-N 3.02Å; I1010-L1014 HydrophobicContact CG2-CD1 3.86Å; I1010-L1014 HydrophobicContact CG2-CG 4.03Å; I1010-L1014 WeakPolarHBondContact O-CG 3.34Å; I1010-L1014 PolarHBondContact O-N 3.47Å
1011D39.7Very low37Very low157 Ų157111.3 Ų111.384%0.8460%0.596SS**Hα-helixtrans-58.7-30.1-173.9-94.5-2.8000114.4N1009N1009-D1011 PolarHBondContact O-N 3.2Å
1012H38.1Very low36.7Very low155 Ų155107.8 Ų107.872%0.71859%0.588SS**Hα-helixtrans-94.4-24.2-177-147.8-48.8000113.5N1009 I1010N1009-H1012 PolarHBondContact O-N 2.71Å; I1010-H1012 VanDerWaalsContact C-N 3.25Å; I1010-H1012 PolarHBondContact O-N 2.69Å; I1010-H1012 VanDerWaalsContact O-N 3.14Å
1013C34.1Very low36.5Very low46 Ų46105.7 Ų105.731%0.31159%0.585SS.*Hα-helixtrans-89.4-18.3-176.7-65.70000114I1010 N1015 E1016 I1017I1010-C1013 PolarHBondContact O-N 3.02Å; C1013-N1015 PolarHBondContact O-N 3.06Å; C1013-E1016 PolarHBondContact O-N 3.4Å; C1013-I1017 HydrophobicContact CB-CD1 3.68Å; C1013-I1017 HydrophobicContact CB-CG1 4.16Å; C1013-I1017 VanDerWaalsContact O-CG1 3.28Å; C1013-I1017 WeakPolarHBondContact O-CG1 3.4Å; C1013-I1017 PolarHBondContact O-N 3.47Å
1014L35.3Very low36.5Very low86 Ų86105.7 Ų105.745%0.4559%0.59SS.*Hα-helixtrans-54.3-29.8-177.6-83.4166.1000114.5I1010 H1018I1010-L1014 HydrophobicContact CG2-CD1 3.86Å; I1010-L1014 HydrophobicContact CG2-CG 4.03Å; I1010-L1014 WeakPolarHBondContact O-CG 3.34Å; I1010-L1014 PolarHBondContact O-N 3.47Å; L1014-H1018 PolarHBondContact O-CD2 3.17Å
1015N37Very low36.8Very low141 Ų141103.6 Ų103.675%0.75458%0.579SS**Hα-helixtrans-81.5-23.6176.5-72.6-44000114.2C1013C1013-N1015 PolarHBondContact O-N 3.06Å
1016E36.6Very low36.8Very low132 Ų132103 Ų10362%0.61757%0.571SS**Hα-helixtrans-89.1-37.4176.2-73.5-177.1132.700111.7C1013 H1018 S1019C1013-E1016 PolarHBondContact O-N 3.4Å; E1016-H1018 PolarHBondContact O-N 3.1Å; E1016-H1018 VanDerWaalsContact O-N 3.14Å; E1016-S1019 WeakPolarHBondContact O-CB 3.49Å; E1016-S1019 PolarHBondContact O-N 2.99Å; E1016-S1019 PolarHBondContact O-OG 2.94Å
1017I36.1Very low37Very low64 Ų64108.4 Ų108.433%0.32858%0.581SS.*Hα-helixtrans-57-30.5-179.8-71.1167.1000112.5C1013 S1019 D1020 L1021C1013-I1017 HydrophobicContact CB-CD1 3.68Å; C1013-I1017 HydrophobicContact CB-CG1 4.16Å; C1013-I1017 VanDerWaalsContact O-CG1 3.28Å; C1013-I1017 WeakPolarHBondContact O-CG1 3.4Å; C1013-I1017 PolarHBondContact O-N 3.47Å; I1017-S1019 PolarHBondContact O-N 2.99Å; I1017-D1020 PolarHBondContact O-N 3.02Å; I1017-L1021 HydrophobicContact CG2-CD1 4.06Å; I1017-L1021 PolarHBondContact O-N 2.7Å
1018H35.6Very low37.9Very low159 Ų159105.1 Ų105.174%0.73656%0.563SS**Hα-helixtrans-63.4-15.4173.8-85.5-52.7000114.4L1014 E1016L1014-H1018 PolarHBondContact O-CD2 3.17Å; E1016-H1018 PolarHBondContact O-N 3.1Å; E1016-H1018 VanDerWaalsContact O-N 3.14Å
1019S34Very low38.8Very low75 Ų7599.5 Ų99.552%0.52454%0.536SS..Hα-helixtrans-81.9-53.7174.1-36.60000111E1016 I1017 G1022E1016-S1019 WeakPolarHBondContact O-CB 3.49Å; E1016-S1019 PolarHBondContact O-N 2.99Å; E1016-S1019 PolarHBondContact O-OG 2.94Å; I1017-S1019 PolarHBondContact O-N 2.99Å; S1019-G1022 PolarHBondContact O-N 3.34Å; S1019-G1022 VanDerWaalsContact O-N 3.17Å
1020D34.3Very low39.8Very low112 Ų11298.5 Ų98.560%0.59953%0.531SS*.Hα-helixtrans-83.3-24.7-164.4-65.8-25.4000113.5I1017 G1022 V1023I1017-D1020 PolarHBondContact O-N 3.02Å; D1020-G1022 PolarHBondContact O-N 3.39Å; D1020-G1022 VanDerWaalsContact O-N 3.12Å; D1020-V1023 PolarHBondContact O-N 2.6Å
1021L33.1Very low41.1Very low87 Ų8799.2 Ų99.246%0.45553%0.532SS..Hα-helixtrans-59-21.5166.4-114.270.9000112.5F1003 I1017 V1023 S1025F1003-L1021 HydrophobicContact CZ-CD1 4.06Å; I1017-L1021 HydrophobicContact CG2-CD1 4.06Å; I1017-L1021 PolarHBondContact O-N 2.7Å; L1021-V1023 PolarHBondContact O-N 3.08Å; L1021-S1025 WeakPolarHBondContact O-CB 3.45Å; L1021-S1025 PolarHBondContact O-OG 2.88Å
1022G33.3Very low42.2Very low44 Ų4492.6 Ų92.645%0.45450%0.496SS..Hα-helixtrans-67.5-19.4174.200000114.4S1019 D1020S1019-G1022 PolarHBondContact O-N 3.34Å; S1019-G1022 VanDerWaalsContact O-N 3.17Å; D1020-G1022 PolarHBondContact O-N 3.39Å; D1020-G1022 VanDerWaalsContact O-N 3.12Å
1023V36.5Very low43.5Very low108 Ų10888 Ų8866%0.65548%0.476SS*.Hα-helixtrans-89.3-44.5-175.8-174.70000111.6D1020 L1021 S1025D1020-V1023 PolarHBondContact O-N 2.6Å; L1021-V1023 PolarHBondContact O-N 3.08Å; V1023-S1025 PolarHBondContact O-N 3.32Å
1024I34Very low45.3Very low127 Ų12790.5 Ų90.565%0.65149%0.486SS*.Hα-helixtrans-71.1-31.9-178.3-57.5177.3000111.8T1026 S1028I1024-T1026 VanDerWaalsContact C-N 3.3Å; I1024-T1026 PolarHBondContact O-N 3.01Å; I1024-S1028 PolarHBondContact O-OG 3.32Å
1025S45.1Very low46.9Very low47 Ų4786.9 Ų86.933%0.32947%0.468SS..THydrogen-bonded Turntrans-73-6.9-167.449.70000116.6L1021 V1023 S1029L1021-S1025 WeakPolarHBondContact O-CB 3.45Å; L1021-S1025 PolarHBondContact O-OG 2.88Å; V1023-S1025 PolarHBondContact O-N 3.32Å; S1025-S1029 PolarHBondContact O-OG 3.46Å
1026T39.9Very low48.6Very low82 Ų8280.8 Ų80.850%0.50344%0.435SS..THydrogen-bonded Turntrans-103.4-24-171.8580000115.7I1024 N1030I1024-T1026 VanDerWaalsContact C-N 3.3Å; I1024-T1026 PolarHBondContact O-N 3.01Å; T1026-N1030 PolarHBondContact O-ND2 3.27Å
1027Y42.4Very low50.3Low188 Ų18878.5 Ų78.574%0.73743%0.425SS*.THydrogen-bonded Turntrans-90.1-55.1180-110.1-93.5000112.2S1029 N1030Y1027-S1029 VanDerWaalsContact C-N 3.31Å; Y1027-S1029 PolarHBondContact O-N 3.49Å; Y1027-N1030 PolarHBondContact O-N 2.97Å
1028S56.4Low52.2Low29 Ų2978.3 Ų78.320%0.20342%0.423CS..Hα-helixtrans-61.8-35.2-176.256.10000113.6I1024 N1030 E1031 F1032I1024-S1028 PolarHBondContact O-OG 3.32Å; S1028-N1030 VanDerWaalsContact C-N 3.33Å; S1028-N1030 PolarHBondContact O-N 3.41Å; S1028-E1031 PolarHBondContact O-N 3.14Å; S1028-F1032 VanDerWaalsContact O-CB 3.29Å; S1028-F1032 WeakPolarHBondContact O-CB 3.45Å; S1028-F1032 PolarHBondContact O-N 2.8Å
1029S56.5Low54Low45 Ų4570.8 Ų70.832%0.31539%0.388SS..Hα-helixtrans-64.8-33.4-177.852.20000113.4S1025 Y1027 L1033S1025-S1029 PolarHBondContact O-OG 3.46Å; Y1027-S1029 VanDerWaalsContact C-N 3.31Å; Y1027-S1029 PolarHBondContact O-N 3.49Å; S1029-L1033 WeakPolarHBondContact O-CD1 3.44Å; S1029-L1033 VanDerWaalsContact O-CG 3.26Å; S1029-L1033 WeakPolarHBondContact O-CG 3.44Å; S1029-L1033 PolarHBondContact O-N 2.95Å
1030N60.8Low56Low96 Ų9669.4 Ų69.451%0.51337%0.371SS..Hα-helixtrans-76-43.4176.2-72.3-64.4000111.8T1026 Y1027 S1028 F1032 L1033 N1034T1026-N1030 PolarHBondContact O-ND2 3.27Å; Y1027-N1030 PolarHBondContact O-N 2.97Å; S1028-N1030 VanDerWaalsContact C-N 3.33Å; S1028-N1030 PolarHBondContact O-N 3.41Å; N1030-F1032 PolarHBondContact O-N 2.81Å; N1030-L1033 PolarHBondContact O-N 3.37Å; N1030-N1034 WeakPolarHBondContact O-CB 3.5Å; N1030-N1034 PolarHBondContact O-N 3.11Å; N1030-N1034 PolarHBondContact O-ND2 2.74Å; N1030-N1034 PolarHBondContact O-OD1 2.84Å
1031E64.4Low58Low103 Ų10368.7 Ų68.748%0.48137%0.367SS..Hα-helixtrans-65.7-38.2177.5-66-167.7142.800112.2S1028 N1034 T1035S1028-E1031 PolarHBondContact O-N 3.14Å; E1031-N1034 PolarHBondContact O-N 3.34Å; E1031-T1035 WeakPolarHBondContact O-CB 3.43Å; E1031-T1035 PolarHBondContact O-N 2.59Å; E1031-T1035 PolarHBondContact O-OG1 3.16Å
1032F62.3Low60.1Low19 Ų1965.1 Ų65.18%0.08335%0.348CS..Hα-helixtrans-60.4-48174-170.9-85.3000112V992 L996 S1028 N1030 T1035 L1036 L1118 I1122V992-F1032 HydrophobicContact CB-CD2 4.46Å; V992-F1032 HydrophobicContact CG1-CB 4.07Å; V992-F1032 HydrophobicContact CG1-CD2 3.75Å; V992-F1032 HydrophobicContact CG1-CG 4.42Å; L996-F1032 HydrophobicContact CD1-CD2 3.53Å; L996-F1032 HydrophobicContact CD1-CE2 3.56Å; S1028-F1032 VanDerWaalsContact O-CB 3.29Å; S1028-F1032 WeakPolarHBondContact O-CB 3.45Å; S1028-F1032 PolarHBondContact O-N 2.8Å; N1030-F1032 PolarHBondContact O-N 2.81Å; F1032-T1035 PolarHBondContact O-N 3.15Å; F1032-L1036 PolarHBondContact O-N 2.95Å; F1032-L1118 HydrophobicContact CD2-CD2 4.27Å; F1032-L1118 HydrophobicContact CE2-CD2 3.45Å; F1032-L1118 VanDerWaalsContact CE2-CD2 3.45Å; F1032-L1118 HydrophobicContact CZ-CB 3.92Å; F1032-L1118 HydrophobicContact CZ-CD2 3.63Å; F1032-L1118 HydrophobicContact CZ-CG 4.38Å; F1032-I1122 HydrophobicContact CE1-CD1 3.89Å; F1032-I1122 HydrophobicContact CE1-CG1 3.61Å; F1032-I1122 HydrophobicContact CZ-CG1 4.08Å
1033L65.6Low62.1Low58 Ų5864 Ų6430%0.30433%0.331SS..Hα-helixtrans-66.4-42.5178.9-71.8170000112.2S1029 N1030 T1035 L1036 E1037 L1136S1029-L1033 WeakPolarHBondContact O-CD1 3.44Å; S1029-L1033 VanDerWaalsContact O-CG 3.26Å; S1029-L1033 WeakPolarHBondContact O-CG 3.44Å; S1029-L1033 PolarHBondContact O-N 2.95Å; N1030-L1033 PolarHBondContact O-N 3.37Å; L1033-T1035 VanDerWaalsContact C-N 3.28Å; L1033-T1035 PolarHBondContact O-N 3.4Å; L1033-L1036 PolarHBondContact O-N 3.45Å; L1033-E1037 WeakPolarHBondContact O-CB 3.44Å; L1033-E1037 PolarHBondContact O-N 3.28Å; L1033-L1136 HydrophobicContact CD2-CD1 3.86Å
1034N72.7Confident63.7Low98 Ų9863.8 Ų63.852%0.52432%0.323SS..Hα-helixtrans-60.2-38.6175-68.4-17000111.6N1030 E1031 E1037 E1038N1030-N1034 WeakPolarHBondContact O-CB 3.5Å; N1030-N1034 PolarHBondContact O-N 3.11Å; N1030-N1034 PolarHBondContact O-ND2 2.74Å; N1030-N1034 PolarHBondContact O-OD1 2.84Å; E1031-N1034 PolarHBondContact O-N 3.34Å; N1034-E1037 PolarHBondContact O-N 3.19Å; N1034-E1038 WeakPolarHBondContact O-CB 3.47Å; N1034-E1038 PolarHBondContact O-N 3.46Å
1035T69.3Low65.6Low10 Ų1061.4 Ų61.46%0.06131%0.312CS..Hα-helixtrans-72.6-35.8179-51.20000111.9R988 A989 E1031 F1032 L1033 E1037 L1039R988-T1035 HydrophobicContact CB-CG2 3.99Å; A989-T1035 HydrophobicContact CB-CG2 3.76Å; E1031-T1035 WeakPolarHBondContact O-CB 3.43Å; E1031-T1035 PolarHBondContact O-N 2.59Å; E1031-T1035 PolarHBondContact O-OG1 3.16Å; F1032-T1035 PolarHBondContact O-N 3.15Å; L1033-T1035 VanDerWaalsContact C-N 3.28Å; L1033-T1035 PolarHBondContact O-N 3.4Å; T1035-E1037 VanDerWaalsContact C-N 3.35Å; T1035-L1039 WeakPolarHBondContact O-CB 3.48Å; T1035-L1039 WeakPolarHBondContact O-CG 3.3Å; T1035-L1039 PolarHBondContact O-N 2.86Å
1036L71.1Confident66.9Low13 Ų1359.2 Ų59.27%0.06830%0.296CS..Hα-helixtrans-65.1-38.9172-171.673.6000111.5F1032 L1033 R1040 I1115 L1118 I1122F1032-L1036 PolarHBondContact O-N 2.95Å; L1033-L1036 PolarHBondContact O-N 3.45Å; L1036-R1040 WeakPolarHBondContact O-CD 3.39Å; L1036-R1040 WeakPolarHBondContact O-CG 3.37Å; L1036-R1040 PolarHBondContact O-N 2.84Å; L1036-R1040 VanDerWaalsContact O-N 3.16Å; L1036-I1115 HydrophobicContact CD1-CG2 4.39Å; L1036-L1118 HydrophobicContact CD1-CB 3.89Å; L1036-L1118 HydrophobicContact CD1-CD1 3.99Å; L1036-I1122 HydrophobicContact CD2-CD1 4.31Å
1037E72.9Confident68.2Low84 Ų8460.1 Ų60.139%0.39329%0.291SS..Hα-helixtrans-68.3-44.5175.7-159.8154.9-139.100110.9L1033 N1034 T1035 L1039 R1040 D1041L1033-E1037 WeakPolarHBondContact O-CB 3.44Å; L1033-E1037 PolarHBondContact O-N 3.28Å; N1034-E1037 PolarHBondContact O-N 3.19Å; T1035-E1037 VanDerWaalsContact C-N 3.35Å; E1037-L1039 PolarHBondContact O-N 2.99Å; E1037-R1040 PolarHBondContact O-N 3.48Å; E1037-D1041 PolarHBondContact O-N 3.21Å
1038E76.2Confident69.3Low61 Ų6154.9 Ų54.929%0.28528%0.278SS..Hα-helixtrans-58.3-43.4173.8-175.6174.3-141.200112.6A985 R988 N1034 R1040 L1042A985-E1038 HydrophobicContact CB-CG 4.05Å; R988-E1038 IonicContact CZ-OE2 3.91Å; R988-E1038 IonicContact NH1-OE1 2.72Å; R988-E1038 PolarHBondContact NH1-OE1 2.97Å; R988-E1038 IonicContact NH1-OE2 2.74Å; R988-E1038 PolarHBondContact NH1-OE2 3.08Å; N1034-E1038 WeakPolarHBondContact O-CB 3.47Å; N1034-E1038 PolarHBondContact O-N 3.46Å; E1038-R1040 PolarHBondContact O-N 3.46Å; E1038-L1042 HydrophobicContact CG-CD1 4.16Å; E1038-L1042 WeakPolarHBondContact O-CB 3.47Å; E1038-L1042 WeakPolarHBondContact O-CD1 3.48Å; E1038-L1042 WeakPolarHBondContact O-CG 3.39Å; E1038-L1042 PolarHBondContact O-N 2.99Å
1039L73.6Confident69.7Low0 Ų054.1 Ų54.10%027%0.272CS..Hα-helixtrans-66.3-35.4176.6-76.3169.2000112.9A985 I986 A989 T1035 E1037 L1042 H1043 I1111 M1114 I1115 L1118A985-L1039 HydrophobicContact CB-CD2 3.79Å; A985-L1039 HydrophobicContact CB-CG 4.21Å; I986-L1039 HydrophobicContact CG1-CD2 4.39Å; A989-L1039 HydrophobicContact CB-CD1 4.07Å; T1035-L1039 WeakPolarHBondContact O-CB 3.48Å; T1035-L1039 WeakPolarHBondContact O-CG 3.3Å; T1035-L1039 PolarHBondContact O-N 2.86Å; E1037-L1039 PolarHBondContact O-N 2.99Å; L1039-L1042 PolarHBondContact O-N 2.69Å; L1039-H1043 PolarHBondContact O-N 2.97Å; L1039-I1111 VanDerWaalsContact O-CG2 3.29Å; L1039-I1111 WeakPolarHBondContact O-CG2 3.18Å; L1039-M1114 HydrophobicContact CD1-CB 4.23Å; L1039-M1114 HydrophobicContact CD1-CE 4.35Å; L1039-I1115 HydrophobicContact CB-CD1 4.38Å; L1039-I1115 HydrophobicContact CB-CG1 4.01Å; L1039-L1118 HydrophobicContact CD1-CD1 3.54Å
1040R75.2Confident70.1Confident46 Ų4652.1 Ų52.117%0.17426%0.258CS..Hα-helixtrans-72-42.5177.2-73.3165.7174.3-148.8-2.6111.9L1036 E1037 E1038 L1042 H1043 E1044 I1115 E1119 Q1143L1036-R1040 WeakPolarHBondContact O-CD 3.39Å; L1036-R1040 WeakPolarHBondContact O-CG 3.37Å; L1036-R1040 PolarHBondContact O-N 2.84Å; L1036-R1040 VanDerWaalsContact O-N 3.16Å; E1037-R1040 PolarHBondContact O-N 3.48Å; E1038-R1040 PolarHBondContact O-N 3.46Å; R1040-L1042 VanDerWaalsContact C-N 3.26Å; R1040-L1042 PolarHBondContact O-N 2.9Å; R1040-H1043 WeakPolarHBondContact O-CB 3.09Å; R1040-H1043 PolarHBondContact O-N 3.06Å; R1040-H1043 VanDerWaalsContact O-N 3.13Å; R1040-E1044 PolarHBondContact O-N 3Å; R1040-E1044 VanDerWaalsContact O-N 3.08Å; R1040-I1115 HydrophobicContact CG-CD1 3.85Å; R1040-I1115 HydrophobicContact CG-CG1 4.38Å; R1040-E1119 IonicContact CZ-OE1 3.44Å; R1040-E1119 IonicContact NE-OE1 3.73Å; R1040-E1119 IonicContact NH2-OE1 3.89Å; R1040-E1119 PolarHBondContact NH2-OE1 2.93Å; R1040-Q1143 VanDerWaalsContact CZ-OE1 3.29Å
1041D77.6Confident70.1Confident98 Ų9850.2 Ų50.252%0.52425%0.252SS..Hα-helixtrans-59.4-40.4171.9-81.4-2.8000110.8E1037 H1043 E1044 N1045E1037-D1041 PolarHBondContact O-N 3.21Å; D1041-H1043 VanDerWaalsContact C-N 3.35Å; D1041-H1043 PolarHBondContact O-N 3.33Å; D1041-E1044 PolarHBondContact O-N 3.11Å; D1041-N1045 VanDerWaalsContact O-CB 3.3Å; D1041-N1045 WeakPolarHBondContact O-CB 3.41Å; D1041-N1045 PolarHBondContact O-N 3.3Å; D1041-N1045 PolarHBondContact O-ND2 3Å
1042L77.3Confident69.9Low11 Ų1150.5 Ų50.56%0.05825%0.248CC..Hα-helixtrans-65.8-33.1175.5-71.6167.1000113.1R981 V982 A985 E1038 L1039 R1040 L1046 I1111R981-L1042 HydrophobicContact CB-CD1 4.34Å; R981-L1042 HydrophobicContact CB-CD2 3.69Å; V982-L1042 HydrophobicContact CG2-CB 4.13Å; V982-L1042 HydrophobicContact CG2-CD1 4.06Å; V982-L1042 HydrophobicContact CG2-CD2 4.2Å; V982-L1042 HydrophobicContact CG2-CG 4.37Å; A985-L1042 HydrophobicContact CB-CD1 3.7Å; E1038-L1042 HydrophobicContact CG-CD1 4.16Å; E1038-L1042 WeakPolarHBondContact O-CB 3.47Å; E1038-L1042 WeakPolarHBondContact O-CD1 3.48Å; E1038-L1042 WeakPolarHBondContact O-CG 3.39Å; E1038-L1042 PolarHBondContact O-N 2.99Å; L1039-L1042 PolarHBondContact O-N 2.69Å; R1040-L1042 VanDerWaalsContact C-N 3.26Å; R1040-L1042 PolarHBondContact O-N 2.9Å; L1042-L1046 VanDerWaalsContact O-CB 3.23Å; L1042-L1046 WeakPolarHBondContact O-CB 3.44Å; L1042-L1046 PolarHBondContact O-N 3.24Å; L1042-I1111 HydrophobicContact CB-CD1 4.49Å
1043H74.4Confident69.7Low21 Ų2149.9 Ų49.910%0.09725%0.246CC..Hα-helixtrans-64.4-49.2171.9175.1-90.9000112.2L1039 R1040 D1041 L1046 W1047 R1108 I1111L1039-H1043 PolarHBondContact O-N 2.97Å; R1040-H1043 WeakPolarHBondContact O-CB 3.09Å; R1040-H1043 PolarHBondContact O-N 3.06Å; R1040-H1043 VanDerWaalsContact O-N 3.13Å; D1041-H1043 VanDerWaalsContact C-N 3.35Å; D1041-H1043 PolarHBondContact O-N 3.33Å; H1043-L1046 PolarHBondContact O-N 2.84Å; H1043-W1047 WeakPolarHBondContact O-CB 3.5Å; H1043-W1047 PolarHBondContact O-N 3.16Å; H1043-R1108 PolarHBondContact NE2-NE 2.81Å; H1043-R1108 PolarHBondContact NE2-NH2 3.18Å; H1043-I1111 HydrophobicContact CB-CG2 3.91Å
1044E70.7Confident69.1Low104 Ų10447.8 Ų47.849%0.48624%0.238SC..Hα-helixtrans-66.4-39.3-179.5-68-56.9123.400112.3R1040 D1041 W1047 T1048R1040-E1044 PolarHBondContact O-N 3Å; R1040-E1044 VanDerWaalsContact O-N 3.08Å; D1041-E1044 PolarHBondContact O-N 3.11Å; E1044-W1047 PolarHBondContact O-N 3.01Å; E1044-T1048 WeakPolarHBondContact O-CB 3.45Å; E1044-T1048 PolarHBondContact O-N 3.45Å; E1044-T1048 PolarHBondContact O-OG1 2.99Å
1045N74Confident67.8Low77 Ų7746.3 Ų46.341%0.41224%0.236SC..Hα-helixtrans-62.8-41.6173.8-83.3-71.4000111.7M978 D1041 T1048 I1049M978-N1045 HydrophobicContact CE-CB 3.66Å; M978-N1045 HydrophobicContact SD-CB 4.15Å; D1041-N1045 VanDerWaalsContact O-CB 3.3Å; D1041-N1045 WeakPolarHBondContact O-CB 3.41Å; D1041-N1045 PolarHBondContact O-N 3.3Å; D1041-N1045 PolarHBondContact O-ND2 3Å; N1045-T1048 WeakPolarHBondContact O-CB 3.38Å; N1045-T1048 PolarHBondContact O-N 3.24Å; N1045-I1049 PolarHBondContact O-N 3.45Å
1046L71.2Confident66.5Low1 Ų146.2 Ų46.21%0.00524%0.235CC..Hα-helixtrans-66.4-43.9175.2179.461.5000112L975 M978 L1042 H1043 T1048 I1049 Q1050 L1107 R1108 I1111L975-L1046 HydrophobicContact CD2-CD1 3.64Å; L975-L1046 HydrophobicContact CG-CD1 4.44Å; M978-L1046 HydrophobicContact SD-CB 4.37Å; L1042-L1046 VanDerWaalsContact O-CB 3.23Å; L1042-L1046 WeakPolarHBondContact O-CB 3.44Å; L1042-L1046 PolarHBondContact O-N 3.24Å; H1043-L1046 PolarHBondContact O-N 2.84Å; L1046-T1048 PolarHBondContact O-N 3.4Å; L1046-I1049 PolarHBondContact O-N 3.27Å; L1046-I1049 VanDerWaalsContact O-N 3.11Å; L1046-Q1050 WeakPolarHBondContact O-CG 3.45Å; L1046-Q1050 PolarHBondContact O-N 2.9Å; L1046-L1107 HydrophobicContact CD1-CD2 4.11Å; L1046-L1107 HydrophobicContact CD2-CB 3.95Å; L1046-L1107 HydrophobicContact CD2-CD2 4.08Å; L1046-L1107 HydrophobicContact CD2-CG 4.15Å; L1046-R1108 HydrophobicContact CD2-CB 3.67Å; L1046-R1108 HydrophobicContact CD2-CG 4.39Å; L1046-I1111 HydrophobicContact CD2-CD1 3.84Å
1047W68.6Low64.8Low100 Ų10055 Ų5538%0.37927%0.269SS..Hα-helixtrans-59.2-31.8173.5178.4-108.7000112.1H1043 E1044 Q1050 S1051 R1108H1043-W1047 WeakPolarHBondContact O-CB 3.5Å; H1043-W1047 PolarHBondContact O-N 3.16Å; E1044-W1047 PolarHBondContact O-N 3.01Å; W1047-Q1050 PolarHBondContact O-N 2.97Å; W1047-S1051 VanDerWaalsContact O-CB 3.31Å; W1047-S1051 WeakPolarHBondContact O-CB 3.48Å; W1047-S1051 PolarHBondContact O-N 2.75Å; W1047-S1051 PolarHBondContact O-OG 3.49Å; W1047-R1108 VanDerWaalsContact CZ3-NH1 3.34Å
1048T64.8Low63.3Low78 Ų7855.1 Ų55.148%0.47927%0.272SS..Hα-helixtrans-68-41.2173.7-55.90000112.1E1044 N1045 L1046 S1051 R1052E1044-T1048 WeakPolarHBondContact O-CB 3.45Å; E1044-T1048 PolarHBondContact O-N 3.45Å; E1044-T1048 PolarHBondContact O-OG1 2.99Å; N1045-T1048 WeakPolarHBondContact O-CB 3.38Å; N1045-T1048 PolarHBondContact O-N 3.24Å; L1046-T1048 PolarHBondContact O-N 3.4Å; T1048-S1051 PolarHBondContact O-N 3.39Å; T1048-R1052 PolarHBondContact O-N 2.94Å
1049I65.8Low61.9Low13 Ų1353.4 Ų53.47%0.06726%0.264CS..Hα-helixtrans-62.4-47.5171-62.8179.7000110.6A971 S974 L975 M978 N1045 L1046 S1051 R1052 L1053A971-I1049 HydrophobicContact CB-CG2 4.12Å; S974-I1049 VanDerWaalsContact CB-CD1 3.47Å; L975-I1049 HydrophobicContact CD1-CG2 3.95Å; L975-I1049 HydrophobicContact CG-CD1 3.94Å; L975-I1049 HydrophobicContact CG-CG2 4.28Å; M978-I1049 HydrophobicContact CE-CD1 3.49Å; M978-I1049 VanDerWaalsContact CE-CD1 3.49Å; M978-I1049 HydrophobicContact CE-CG1 3.94Å; M978-I1049 HydrophobicContact CG-CD1 4.41Å; M978-I1049 HydrophobicContact SD-CD1 3.45Å; M978-I1049 WeakPolarHBondContact SD-CD1 3.45Å; M978-I1049 HydrophobicContact SD-CG1 4.25Å; N1045-I1049 PolarHBondContact O-N 3.45Å; L1046-I1049 PolarHBondContact O-N 3.27Å; L1046-I1049 VanDerWaalsContact O-N 3.11Å; I1049-S1051 VanDerWaalsContact C-N 3.27Å; I1049-S1051 PolarHBondContact O-N 3.4Å; I1049-R1052 PolarHBondContact O-N 2.87Å; I1049-R1052 VanDerWaalsContact O-N 3.15Å; I1049-L1053 HydrophobicContact CG2-CD1 3.98Å; I1049-L1053 HydrophobicContact CG2-CG 4.38Å; I1049-L1053 PolarHBondContact O-N 3.26Å
1050Q63.7Low60.2Low4 Ų457 Ų572%0.01928%0.283CS..Hα-helixtrans-57.7-40.7178.3-71-163.9-41.300111.8L1046 W1047 L1053 G1054 W1063 S1104 R1108L1046-Q1050 WeakPolarHBondContact O-CG 3.45Å; L1046-Q1050 PolarHBondContact O-N 2.9Å; W1047-Q1050 PolarHBondContact O-N 2.97Å; Q1050-L1053 PolarHBondContact O-N 3.03Å; Q1050-G1054 PolarHBondContact O-N 3Å; Q1050-W1063 HydrophobicContact CB-CH2 3.57Å; Q1050-W1063 HydrophobicContact CB-CZ2 3.82Å; Q1050-W1063 HydrophobicContact CG-CH2 3.71Å; Q1050-W1063 HydrophobicContact CG-CZ2 4.23Å; Q1050-S1104 PolarHBondContact NE2-O 3.48Å; Q1050-S1104 PolarHBondContact NE2-OG 2.91Å; Q1050-R1108 VanDerWaalsContact OE1-CD 3.26Å
1051S61.8Low58.4Low56 Ų5659.9 Ų59.939%0.39230%0.302SS..Hα-helixtrans-66.9-37.5176.8-60.30000112.7W1047 T1048 I1049 S1055W1047-S1051 VanDerWaalsContact O-CB 3.31Å; W1047-S1051 WeakPolarHBondContact O-CB 3.48Å; W1047-S1051 PolarHBondContact O-N 2.75Å; W1047-S1051 PolarHBondContact O-OG 3.49Å; T1048-S1051 PolarHBondContact O-N 3.39Å; I1049-S1051 VanDerWaalsContact C-N 3.27Å; I1049-S1051 PolarHBondContact O-N 3.4Å; S1051-S1055 WeakPolarHBondContact O-CB 3.49Å; S1051-S1055 PolarHBondContact O-N 3.31Å; S1051-S1055 VanDerWaalsContact O-N 3.08Å
1052R59.7Low56.3Low108 Ų10858.6 Ų58.641%0.40829%0.291SS..Hα-helixtrans-64.7-51.9172.4-74.2-176.665-172.7-5.3111.1E967 D970 T1048 I1049 G1054 S1055E967-R1052 IonicContact OE1-NE 3.83Å; E967-R1052 IonicContact OE1-NH2 2.71Å; E967-R1052 PolarHBondContact OE1-NH2 3.39Å; D970-R1052 IonicContact OD2-CZ 3.24Å; D970-R1052 IonicContact OD2-NH1 3.16Å; D970-R1052 IonicContact OD2-NH2 2.69Å; D970-R1052 PolarHBondContact OD2-NH2 3.05Å; T1048-R1052 PolarHBondContact O-N 2.94Å; I1049-R1052 PolarHBondContact O-N 2.87Å; I1049-R1052 VanDerWaalsContact O-N 3.15Å; R1052-G1054 VanDerWaalsContact C-N 3.28Å; R1052-G1054 PolarHBondContact O-N 3.36Å; R1052-S1055 WeakPolarHBondContact O-CA 3.31Å; R1052-S1055 WeakPolarHBondContact O-CB 3.41Å; R1052-S1055 PolarHBondContact O-N 2.93Å; R1052-S1055 PolarHBondContact O-OG 3.31Å
1053L57.6Low54.5Low6 Ų660.3 Ų60.33%0.03130%0.297CS..Hα-helixtrans-55.5-41.3176.7-74.2171.9000112.6A971 I1049 Q1050 S1055 F1059 I1097 L1100A971-L1053 HydrophobicContact CB-CD1 4.21Å; A971-L1053 HydrophobicContact CB-CD2 3.67Å; A971-L1053 HydrophobicContact CB-CG 3.99Å; I1049-L1053 HydrophobicContact CG2-CD1 3.98Å; I1049-L1053 HydrophobicContact CG2-CG 4.38Å; I1049-L1053 PolarHBondContact O-N 3.26Å; Q1050-L1053 PolarHBondContact O-N 3.03Å; L1053-S1055 VanDerWaalsContact C-N 3.31Å; L1053-S1055 PolarHBondContact O-N 2.99Å; L1053-F1059 VanDerWaalsContact O-CB 3.27Å; L1053-F1059 WeakPolarHBondContact O-CB 3Å; L1053-I1097 HydrophobicContact CD2-CG2 4.26Å; L1053-L1100 HydrophobicContact CD1-CD2 3.95Å; L1053-L1100 HydrophobicContact CD1-CG 4.09Å; L1053-L1100 HydrophobicContact CD2-CD2 3.99Å
1054G53.4Low52.8Low14 Ų1465.2 Ų65.214%0.14432%0.318CS..Hα-helixtrans-73.7-14.1175.300000115.3Q1050 R1052Q1050-G1054 PolarHBondContact O-N 3Å; R1052-G1054 VanDerWaalsContact C-N 3.28Å; R1052-G1054 PolarHBondContact O-N 3.36Å
1055S44.3Very low51Low67 Ų6767.3 Ų67.347%0.46933%0.326SS..Hα-helixtrans-81.9-23.6178.476.90000113.3S1051 R1052 L1053 Y1057S1051-S1055 WeakPolarHBondContact O-CB 3.49Å; S1051-S1055 PolarHBondContact O-N 3.31Å; S1051-S1055 VanDerWaalsContact O-N 3.08Å; R1052-S1055 WeakPolarHBondContact O-CA 3.31Å; R1052-S1055 WeakPolarHBondContact O-CB 3.41Å; R1052-S1055 PolarHBondContact O-N 2.93Å; R1052-S1055 PolarHBondContact O-OG 3.31Å; L1053-S1055 VanDerWaalsContact C-N 3.31Å; L1053-S1055 PolarHBondContact O-N 2.99Å; S1055-Y1057 PolarHBondContact O-N 3.41Å; S1055-Y1057 VanDerWaalsContact O-N 3.14Å
1056C42Very low48.9Very low8 Ų865.5 Ų65.55%0.05432%0.319CS..SBendtrans-58.9115.4162.7-98.10000109.4L964 E967 L1058 F1059L964-C1056 HydrophobicContact CD2-CB 3.96Å; E967-C1056 PolarHBondContact OE2-SG 3.13Å; C1056-L1058 PolarHBondContact O-N 2.96Å; C1056-F1059 HydrophobicContact CB-CD2 3.91Å; C1056-F1059 PolarHBondContact O-N 3.45Å
1057Y36.6Very low47.1Very low197 Ų19768 Ų6877%0.77334%0.337SS*.THydrogen-bonded Turntrans-53.7-31.9-167-81.1-98.1000115.2S1055 F1059 N1060S1055-Y1057 PolarHBondContact O-N 3.41Å; S1055-Y1057 VanDerWaalsContact O-N 3.14Å; Y1057-F1059 VanDerWaalsContact C-N 3.33Å; Y1057-F1059 PolarHBondContact O-N 3.42Å; Y1057-N1060 PolarHBondContact O-N 3.38Å
1058L41.7Very low45.1Very low87 Ų8768.8 Ų68.846%0.45534%0.342SS..THydrogen-bonded Turntrans-71.9-22.2176.9-77.2164.3000113.9M960 L964 C1056M960-L1058 HydrophobicContact CE-CD1 3.88Å; M960-L1058 HydrophobicContact CE-CG 4.05Å; L964-L1058 HydrophobicContact CD1-CD1 3.93Å; C1056-L1058 PolarHBondContact O-N 2.96Å
1059F46.7Very low43.3Very low26 Ų2670.4 Ų70.411%0.11436%0.357CS..Hα-helixtrans-82.1-15.4174-77.1-64.8000113.7L964 L1053 C1056 Y1057 D1061 F1062 W1063 I1097 I1101L964-F1059 HydrophobicContact CD2-CD2 4.17Å; L964-F1059 HydrophobicContact CD2-CE2 3.73Å; L1053-F1059 VanDerWaalsContact O-CB 3.27Å; L1053-F1059 WeakPolarHBondContact O-CB 3Å; C1056-F1059 HydrophobicContact CB-CD2 3.91Å; C1056-F1059 PolarHBondContact O-N 3.45Å; Y1057-F1059 VanDerWaalsContact C-N 3.33Å; Y1057-F1059 PolarHBondContact O-N 3.42Å; F1059-D1061 VanDerWaalsContact C-N 3.28Å; F1059-D1061 PolarHBondContact O-N 3.35Å; F1059-F1062 HydrophobicContact CD1-CB 4.03Å; F1059-F1062 HydrophobicContact CD1-CG 4.44Å; F1059-F1062 PolarHBondContact O-N 2.68Å; F1059-W1063 WeakPolarHBondContact O-CB 3.32Å; F1059-W1063 PolarHBondContact O-N 3.48Å; F1059-I1097 HydrophobicContact CE1-CB 4.21Å; F1059-I1097 HydrophobicContact CE1-CG2 3.85Å; F1059-I1097 HydrophobicContact CE2-CB 4.32Å; F1059-I1097 HydrophobicContact CE2-CD1 3.85Å; F1059-I1097 HydrophobicContact CE2-CG2 3.7Å; F1059-I1097 HydrophobicContact CZ-CB 3.59Å; F1059-I1097 HydrophobicContact CZ-CD1 3.72Å; F1059-I1097 HydrophobicContact CZ-CG1 4.23Å; F1059-I1097 HydrophobicContact CZ-CG2 3.3Å; F1059-I1101 HydrophobicContact CD1-CD1 3.44Å; F1059-I1101 VanDerWaalsContact CD1-CD1 3.44Å; F1059-I1101 HydrophobicContact CE1-CD1 3.6Å; F1059-I1101 HydrophobicContact CG-CD1 4.35Å
1060N38.2Very low41.4Very low76 Ų7675.4 Ų75.441%0.40638%0.384SS..Hα-helixtrans-63.4-35.5-176.9-146.2-48.4000112Y1057 K1064Y1057-N1060 PolarHBondContact O-N 3.38Å; N1060-K1064 VanDerWaalsContact O-CG 3.28Å; N1060-K1064 WeakPolarHBondContact O-CG 3.31Å; N1060-K1064 PolarHBondContact O-N 3.49Å
1061D35.6Very low39.6Very low105 Ų10581.1 Ų81.156%0.56141%0.413SS*.Hα-helixtrans-82-33.4174-68.6-28.9000113.2F1059 W1063 K1064 F1065F1059-D1061 VanDerWaalsContact C-N 3.28Å; F1059-D1061 PolarHBondContact O-N 3.35Å; D1061-W1063 VanDerWaalsContact C-N 3.32Å; D1061-W1063 PolarHBondContact O-N 3.39Å; D1061-K1064 PolarHBondContact O-N 3.01Å; D1061-K1064 IonicContact OD1-NZ 3.21Å; D1061-K1064 PolarHBondContact OD1-NZ 2.83Å; D1061-F1065 PolarHBondContact O-N 3.36Å; D1061-F1065 VanDerWaalsContact O-N 3.12Å
1062F34.4Very low37.7Very low71 Ų7184.8 Ų84.831%0.31143%0.427SS..Hα-helixtrans-64-39.5172.2-150.9-86000111.1F1059 F1065 S1066 I1101F1059-F1062 HydrophobicContact CD1-CB 4.03Å; F1059-F1062 HydrophobicContact CD1-CG 4.44Å; F1059-F1062 PolarHBondContact O-N 2.68Å; F1062-F1065 CarbonylContact O-C 3.53Å; F1062-F1065 WeakPolarHBondContact O-CA 3.34Å; F1062-F1065 WeakPolarHBondContact O-CB 3.3Å; F1062-F1065 PolarHBondContact O-N 3.41Å; F1062-S1066 WeakPolarHBondContact CD1-OG 3.37Å; F1062-S1066 PolarHBondContact O-N 2.83Å; F1062-S1066 PolarHBondContact O-OG 3Å; F1062-I1101 HydrophobicContact CD1-CD1 4.27Å
1063W40.6Very low36.1Very low48 Ų4884 Ų8418%0.18243%0.434CS..Hα-helixtrans-67-40.5176.9-156.5-92.6000111.6Q1050 F1059 D1061 F1065 C1067 I1101Q1050-W1063 HydrophobicContact CB-CH2 3.57Å; Q1050-W1063 HydrophobicContact CB-CZ2 3.82Å; Q1050-W1063 HydrophobicContact CG-CH2 3.71Å; Q1050-W1063 HydrophobicContact CG-CZ2 4.23Å; F1059-W1063 WeakPolarHBondContact O-CB 3.32Å; F1059-W1063 PolarHBondContact O-N 3.48Å; D1061-W1063 VanDerWaalsContact C-N 3.32Å; D1061-W1063 PolarHBondContact O-N 3.39Å; W1063-F1065 PolarHBondContact O-N 3.49Å; W1063-C1067 PolarHBondContact NE1-SG 3.46Å; W1063-C1067 WeakPolarHBondContact O-CA 3.3Å; W1063-C1067 WeakPolarHBondContact O-CB 3.5Å; W1063-C1067 PolarHBondContact O-N 3.18Å; W1063-I1101 HydrophobicContact CE3-CD1 4.47Å; W1063-I1101 HydrophobicContact CE3-CG1 4.49Å; W1063-I1101 HydrophobicContact CE3-CG2 4.22Å; W1063-I1101 HydrophobicContact CZ3-CB 4.46Å; W1063-I1101 HydrophobicContact CZ3-CD1 4.5Å; W1063-I1101 HydrophobicContact CZ3-CG1 4.04Å; W1063-I1101 HydrophobicContact CZ3-CG2 3.83Å
1064K38.4Very low34.5Very low124 Ų12492 Ų9254%0.53947%0.471SS..Hα-helixtrans-61.6-24.2169.1-71.6168.6-156.9158.50113.2N1060 D1061N1060-K1064 VanDerWaalsContact O-CG 3.28Å; N1060-K1064 WeakPolarHBondContact O-CG 3.31Å; N1060-K1064 PolarHBondContact O-N 3.49Å; D1061-K1064 PolarHBondContact O-N 3.01Å; D1061-K1064 IonicContact OD1-NZ 3.21Å; D1061-K1064 PolarHBondContact OD1-NZ 2.83Å
1065F31.4Very low33.2Very low148 Ų14898.7 Ų98.765%0.64949%0.493SS*.Hα-helixtrans-84.7-51.7175.7-119.5-87.6000112.3D1061 F1062 W1063D1061-F1065 PolarHBondContact O-N 3.36Å; D1061-F1065 VanDerWaalsContact O-N 3.12Å; F1062-F1065 CarbonylContact O-C 3.53Å; F1062-F1065 WeakPolarHBondContact O-CA 3.34Å; F1062-F1065 WeakPolarHBondContact O-CB 3.3Å; F1062-F1065 PolarHBondContact O-N 3.41Å; W1063-F1065 PolarHBondContact O-N 3.49Å
1066S31.6Very low32.4Very low38 Ų38100.9 Ų100.927%0.26650%0.5SS..Hα-helixtrans-70-38.6-177.6-60.50000113.3F1062 K1068F1062-S1066 WeakPolarHBondContact CD1-OG 3.37Å; F1062-S1066 PolarHBondContact O-N 2.83Å; F1062-S1066 PolarHBondContact O-OG 3Å; S1066-K1068 VanDerWaalsContact C-N 3.28Å; S1066-K1068 PolarHBondContact O-N 3.1Å
1067C31.5Very low31.8Very low55 Ų55104.9 Ų104.937%0.37253%0.527SS..THydrogen-bonded Turntrans-91.825.3-177.3-59.30000113.1W1063 S1069W1063-C1067 PolarHBondContact NE1-SG 3.46Å; W1063-C1067 WeakPolarHBondContact O-CA 3.3Å; W1063-C1067 WeakPolarHBondContact O-CB 3.5Å; W1063-C1067 PolarHBondContact O-N 3.18Å; C1067-S1069 PolarHBondContact O-N 2.96Å
1068K27.3Very low31.5Very low115 Ų115104.8 Ų104.850%0.553%0.525SS..  trans-61.1120.9167.2-85.6174.8178.3164.40109.5S1066 N1070 I1071S1066-K1068 VanDerWaalsContact C-N 3.28Å; S1066-K1068 PolarHBondContact O-N 3.1Å; K1068-N1070 PolarHBondContact O-N 3.01Å; K1068-I1071 PolarHBondContact O-N 3.23Å
1069S26.7Very low31.1Very low112 Ų112106.2 Ų106.278%0.78353%0.533SS*.THydrogen-bonded Turntrans-58-2-175.1-32.70000116.3C1067C1067-S1069 PolarHBondContact O-N 2.96Å
1070N25.9Very low30.4Very low118 Ų118110.1 Ų110.163%0.63155%0.554SS**THydrogen-bonded Turntrans-106.33.6-172.1-69.617.3000113.7K1068 I1072K1068-N1070 PolarHBondContact O-N 3.01Å; N1070-I1072 PolarHBondContact O-N 3.03Å
1071I25.8Very low30.2Very low125 Ų125113.1 Ų113.164%0.64156%0.564SS**  trans-7763.8164.2-47.8-176.8000108.8K1068 V1073K1068-I1071 PolarHBondContact O-N 3.23Å; I1071-V1073 VanDerWaalsContact C-N 3.28Å; I1071-V1073 HydrophobicContact CG2-CG2 4.13Å; I1071-V1073 PolarHBondContact O-N 3.36Å
1072I23.5Very low30.5Very low133 Ų133114.6 Ų114.668%0.68257%0.572SS**  trans-74.388.6168.8-56.8175.5000106.3N1070 Q1074N1070-I1072 PolarHBondContact O-N 3.03Å; I1072-Q1074 HydrophobicContact CG2-CB 4.25Å; I1072-Q1074 PolarHBondContact O-N 3.13Å
1073V25.2Very low30.7Very low92 Ų92115.7 Ų115.756%0.55858%0.578SS**  trans-68.695.4160.1-172.40000106I1071 Y1075I1071-V1073 VanDerWaalsContact C-N 3.28Å; I1071-V1073 HydrophobicContact CG2-CG2 4.13Å; I1071-V1073 PolarHBondContact O-N 3.36Å; V1073-Y1075 HydrophobicContact CB-CD2 4.18Å; V1073-Y1075 HydrophobicContact CB-CE2 3.97Å; V1073-Y1075 HydrophobicContact CG1-CD2 3.73Å; V1073-Y1075 HydrophobicContact CG1-CE1 4.44Å; V1073-Y1075 HydrophobicContact CG1-CE2 3.36Å; V1073-Y1075 HydrophobicContact CG1-CG 4.43Å; V1073-Y1075 PolarHBondContact O-N 3.45Å
1074Q24.3Very low30.6Very low172 Ų172116.5 Ų116.580%0.80458%0.582SS**  trans-72.975.7-175.2-169.51761.100110I1072 D1076I1072-Q1074 HydrophobicContact CG2-CB 4.25Å; I1072-Q1074 PolarHBondContact O-N 3.13Å; Q1074-D1076 PolarHBondContact O-N 2.95Å; Q1074-D1076 VanDerWaalsContact O-N 3.14Å
1075Y26.3Very low30.5Very low155 Ų155113.9 Ų113.961%0.60859%0.589SS**  trans-66.3108.9171.6-79-70.1000109.2V1073 C1077V1073-Y1075 HydrophobicContact CB-CD2 4.18Å; V1073-Y1075 HydrophobicContact CB-CE2 3.97Å; V1073-Y1075 HydrophobicContact CG1-CD2 3.73Å; V1073-Y1075 HydrophobicContact CG1-CE1 4.44Å; V1073-Y1075 HydrophobicContact CG1-CE2 3.36Å; V1073-Y1075 HydrophobicContact CG1-CG 4.43Å; V1073-Y1075 PolarHBondContact O-N 3.45Å; Y1075-C1077 VanDerWaalsContact C-N 3.27Å; Y1075-C1077 PolarHBondContact O-N 3.36Å
1076D27Very low31.2Very low114 Ų114114 Ų11461%0.6159%0.59SS**  trans-74.779.5178.2-163.422.4000109.2Q1074 R1078Q1074-D1076 PolarHBondContact O-N 2.95Å; Q1074-D1076 VanDerWaalsContact O-N 3.14Å; D1076-R1078 PolarHBondContact O-N 3.04Å; D1076-R1078 IonicContact OD1-NE 3.75Å; D1076-R1078 IonicContact OD2-CZ 3.51Å; D1076-R1078 IonicContact OD2-NE 2.83Å; D1076-R1078 PolarHBondContact OD2-NE 3.38Å; D1076-R1078 IonicContact OD2-NH2 3.31Å; D1076-R1078 PolarHBondContact OD2-NH2 2.95Å
1077C28.1Very low31.7Very low91 Ų91119.4 Ų119.462%0.61561%0.611SS**  trans-69.974.5-176.6-68.70000112.2Y1075Y1075-C1077 VanDerWaalsContact C-N 3.27Å; Y1075-C1077 PolarHBondContact O-N 3.36Å
1078R31.2Very low32.4Very low196 Ų196117.3 Ų117.374%0.7460%0.596SS**  trans-83.2-32.4172.8-64.8-173.6-176.6-129.5-5.9113D1076D1076-R1078 PolarHBondContact O-N 3.04Å; D1076-R1078 IonicContact OD1-NE 3.75Å; D1076-R1078 IonicContact OD2-CZ 3.51Å; D1076-R1078 IonicContact OD2-NE 2.83Å; D1076-R1078 PolarHBondContact OD2-NE 3.38Å; D1076-R1078 IonicContact OD2-NH2 3.31Å; D1076-R1078 PolarHBondContact OD2-NH2 2.95Å
1079D33.5Very low33Very low117 Ų117118.5 Ų118.563%0.62661%0.607SS**  trans-111.4102.9-176.9-62.7-71.7000110.7F1081 D1082D1079-F1081 PolarHBondContact O-N 3.01Å; D1079-F1081 VanDerWaalsContact O-N 3.1Å; D1079-D1082 HydrophobicContact CB-CB 4.29Å
1080L32.7Very low33.8Very low107 Ų107115.7 Ų115.756%0.5659%0.586SS**THydrogen-bonded Turntrans-68.8-7.4-171.5-150.678.7000114.3Y1084L1080-Y1084 VanDerWaalsContact O-CE2 3.28Å; L1080-Y1084 WeakPolarHBondContact O-CE2 3.37Å
1081F34.2Very low34.4Very low140 Ų140115.9 Ų115.961%0.61459%0.587SS**THydrogen-bonded Turntrans-110.6-31.3-174.4-70.7-84.5000113.8L997 D1079 H1083 Y1084L997-F1081 HydrophobicContact CD1-CE1 3.85Å; L997-F1081 HydrophobicContact CD1-CZ 3.88Å; D1079-F1081 PolarHBondContact O-N 3.01Å; D1079-F1081 VanDerWaalsContact O-N 3.1Å; F1081-H1083 VanDerWaalsContact C-N 3.27Å; F1081-H1083 PolarHBondContact O-N 3.11Å; F1081-Y1084 PolarHBondContact O-N 3.49Å
1082D40.6Very low35.4Very low136 Ų136111.1 Ų111.173%0.72756%0.562SS**G310 helixtrans-69.4-23.4-171.9-118.635.7000113.4D1079 Y1084D1079-D1082 HydrophobicContact CB-CB 4.29Å; D1082-Y1084 VanDerWaalsContact C-N 3.25Å; D1082-Y1084 PolarHBondContact O-N 2.81Å
1083H39.6Very low36.4Very low94 Ų94109.1 Ų109.144%0.43556%0.56SS.*G310 helixtrans-68.5-23.3-177.7-124.991000113.7F1081F1081-H1083 VanDerWaalsContact C-N 3.27Å; F1081-H1083 PolarHBondContact O-N 3.11Å
1084Y38.1Very low37.3Very low65 Ų65112.4 Ų112.426%0.25557%0.567SS.*G310 helixtrans-80.6-18.6-173.2-68-60.1000114.4Q990 L1080 F1081 D1082 M1114 D1117Q990-Y1084 HydrophobicContact CG-CD1 4.28Å; Q990-Y1084 PolarHBondContact NE2-O 3.08Å; L1080-Y1084 VanDerWaalsContact O-CE2 3.28Å; L1080-Y1084 WeakPolarHBondContact O-CE2 3.37Å; F1081-Y1084 PolarHBondContact O-N 3.49Å; D1082-Y1084 VanDerWaalsContact C-N 3.25Å; D1082-Y1084 PolarHBondContact O-N 2.81Å; Y1084-M1114 HydrophobicContact CD1-SD 4.1Å; Y1084-M1114 HydrophobicContact CE1-SD 3.6Å; Y1084-M1114 VanDerWaalsContact CE1-SD 3.6Å; Y1084-D1117 PolarHBondContact OH-OD2 3.41Å; Y1084-D1117 VanDerWaalsContact OH-OD2 3.14Å
1085G36.1Very low38.2Very low68 Ų68105.9 Ų105.970%0.70154%0.54SS*.G310 helixtrans-80.6-8.3-178.400000115.6E1087G1085-E1087 PolarHBondContact O-N 3.09Å
1086K46.2Very low39.6Very low151 Ų151100.2 Ų100.266%0.65752%0.523SS*.  trans-85.294.7-178-74.1-178.4179.9172.40112K1110K1086-K1110 PolarHBondContact O-NZ 3.08Å; K1086-K1110 VanDerWaalsContact O-NZ 3.08Å
1087E41.6Very low40.7Very low152 Ų15296.8 Ų96.871%0.7150%0.504SS*.  trans-44.3148.3170.7-65.7-168.2128.200112.8G1085 N1089G1085-E1087 PolarHBondContact O-N 3.09Å; E1087-N1089 PolarHBondContact O-N 2.86Å
1088L45.7Very low41.9Very low11 Ų1194.2 Ų94.26%0.05849%0.489CS..  trans-7663.7172.5-84.4159.3000110.6K979 Q983 V1090 F1103 L1107 K1110K979-L1088 WeakPolarHBondContact CE-O 3.22Å; K979-L1088 PolarHBondContact NZ-O 2.64Å; Q983-L1088 HydrophobicContact CG-CB 4.47Å; Q983-L1088 HydrophobicContact CG-CD1 3.84Å; L1088-V1090 PolarHBondContact O-N 3.21Å; L1088-F1103 HydrophobicContact CD2-CE2 4.1Å; L1088-L1107 HydrophobicContact CD1-CD1 3.7Å; L1088-L1107 HydrophobicContact CD2-CD1 4.17Å; L1088-K1110 HydrophobicContact CD2-CD 4.08Å; L1088-K1110 HydrophobicContact CG-CD 4.33Å
1089N40.5Very low43.2Very low139 Ų13987.6 Ų87.674%0.74347%0.469SS*.  trans-80.438.5-174.6-151.9-7.1000113.5E1087E1087-N1089 PolarHBondContact O-N 2.86Å
1090V43.3Very low44.4Very low54 Ų5482.1 Ų82.133%0.32744%0.439SS..  trans-87.1120.9169.2-178.90000108.3K979 L1088 I1092 F1103K979-V1090 PolarHBondContact NZ-O 3.46Å; L1088-V1090 PolarHBondContact O-N 3.21Å; V1090-I1092 PolarHBondContact O-N 3.31Å; V1090-F1103 HydrophobicContact CB-CD2 3.74Å; V1090-F1103 HydrophobicContact CB-CE2 3.91Å; V1090-F1103 HydrophobicContact CG1-CD2 3.76Å; V1090-F1103 HydrophobicContact CG1-CE2 4.34Å; V1090-F1103 HydrophobicContact CG1-CG 4.34Å; V1090-F1103 HydrophobicContact CG2-CD2 3.91Å; V1090-F1103 HydrophobicContact CG2-CE2 4.2Å
1091N39Very low45.6Very low121 Ų12177 Ų7765%0.64741%0.412SS*.  trans-85.498-177.7-172.22.2000110.9S1093N1091-S1093 PolarHBondContact ND2-OG 2.98Å; N1091-S1093 PolarHBondContact O-N 3.28Å; N1091-S1093 VanDerWaalsContact O-N 3.13Å; N1091-S1093 WeakPolarHBondContact OD1-CB 3.38Å; N1091-S1093 PolarHBondContact OD1-N 3.16Å; N1091-S1093 PolarHBondContact OD1-OG 3.12Å; N1091-S1093 VanDerWaalsContact OD1-OG 3.07Å
1092I46.3Very low46.9Very low26 Ų2674.6 Ų74.613%0.13341%0.406CS..G310 helixtrans-67.1-10.1-176-69.7173.5000112.8L976 K979 V1090 K1094 C1095 F1103L976-I1092 HydrophobicContact CB-CG2 4.39Å; L976-I1092 HydrophobicContact CD1-CB 4.3Å; L976-I1092 HydrophobicContact CD1-CD1 3.85Å; L976-I1092 HydrophobicContact CD1-CG2 4.16Å; K979-I1092 HydrophobicContact CB-CD1 4.37Å; K979-I1092 HydrophobicContact CD-CD1 3.62Å; V1090-I1092 PolarHBondContact O-N 3.31Å; I1092-K1094 PolarHBondContact O-N 3.39Å; I1092-C1095 PolarHBondContact O-N 2.72Å; I1092-C1095 PolarHBondContact O-SG 2.88Å; I1092-F1103 HydrophobicContact CD1-CD1 4.32Å; I1092-F1103 HydrophobicContact CD1-CE1 3.75Å; I1092-F1103 HydrophobicContact CD1-CZ 4.02Å; I1092-F1103 HydrophobicContact CG1-CE1 4.49Å
1093S44.9Very low47.9Very low91 Ų9168.3 Ų68.364%0.63637%0.372SS*.G310 helixtrans-64.2-4.3-177.978.30000115.3N1091N1091-S1093 PolarHBondContact ND2-OG 2.98Å; N1091-S1093 PolarHBondContact O-N 3.28Å; N1091-S1093 VanDerWaalsContact O-N 3.13Å; N1091-S1093 WeakPolarHBondContact OD1-CB 3.38Å; N1091-S1093 PolarHBondContact OD1-N 3.16Å; N1091-S1093 PolarHBondContact OD1-OG 3.12Å; N1091-S1093 VanDerWaalsContact OD1-OG 3.07Å
1094K45.2Very low49.1Very low161 Ų16163.9 Ų63.970%0.735%0.352SS*.G310 helixtrans-140.157.3177.5-65-170178.4-173.50112.2I1092 S1096 N1099I1092-K1094 PolarHBondContact O-N 3.39Å; K1094-S1096 PolarHBondContact O-N 3.19Å; K1094-S1096 VanDerWaalsContact O-N 3.13Å; K1094-N1099 PolarHBondContact O-ND2 3.26Å
1095C43Very low50.3Low34 Ų3462.8 Ų62.823%0.2335%0.353CS..  trans-7698174.9-77.30000112.7N972 I1092N972-C1095 WeakPolarHBondContact OD1-CB 3.35Å; N972-C1095 PolarHBondContact OD1-SG 3.24Å; N972-C1095 VanDerWaalsContact OD1-SG 3.37Å; I1092-C1095 PolarHBondContact O-N 2.72Å; I1092-C1095 PolarHBondContact O-SG 2.88Å
1096S54.6Low51.7Low37 Ų3764.5 Ų64.526%0.25934%0.343SS..  trans-62.7155.314469.60000109.3E872 K1094 A1098 N1099 L1100E872-S1096 WeakPolarHBondContact OE1-CB 3.47Å; E872-S1096 PolarHBondContact OE1-OG 3.22Å; K1094-S1096 PolarHBondContact O-N 3.19Å; K1094-S1096 VanDerWaalsContact O-N 3.13Å; S1096-A1098 PolarHBondContact O-N 3.21Å; S1096-N1099 WeakPolarHBondContact O-CB 3.37Å; S1096-N1099 PolarHBondContact O-N 3.06Å; S1096-N1099 VanDerWaalsContact O-N 3.09Å; S1096-N1099 PolarHBondContact OG-N 2.99Å; S1096-N1099 PolarHBondContact OG-ND2 2.99Å; S1096-L1100 PolarHBondContact O-N 3.43Å
1097I51.4Low52.7Low42 Ų4257.3 Ų57.322%0.21531%0.312CS..Hα-helixtrans-67-26.8-179-42.4175.9000110.7L1053 F1059 L1100 I1101L1053-I1097 HydrophobicContact CD2-CG2 4.26Å; F1059-I1097 HydrophobicContact CE1-CB 4.21Å; F1059-I1097 HydrophobicContact CE1-CG2 3.85Å; F1059-I1097 HydrophobicContact CE2-CB 4.32Å; F1059-I1097 HydrophobicContact CE2-CD1 3.85Å; F1059-I1097 HydrophobicContact CE2-CG2 3.7Å; F1059-I1097 HydrophobicContact CZ-CB 3.59Å; F1059-I1097 HydrophobicContact CZ-CD1 3.72Å; F1059-I1097 HydrophobicContact CZ-CG1 4.23Å; F1059-I1097 HydrophobicContact CZ-CG2 3.3Å; I1097-L1100 WeakPolarHBondContact O-CB 3.43Å; I1097-L1100 PolarHBondContact O-N 3.23Å; I1097-I1101 HydrophobicContact CG2-CD1 4.43Å; I1097-I1101 VanDerWaalsContact O-CG1 3.27Å; I1097-I1101 WeakPolarHBondContact O-CG1 3.44Å; I1097-I1101 PolarHBondContact O-N 2.91Å
1098A53.3Low54.1Low36 Ų3653.4 Ų53.430%0.29829%0.29SS..Hα-helixtrans-62.8-45.4170.100000112.2S1096 L1100 I1101 N1102S1096-A1098 PolarHBondContact O-N 3.21Å; A1098-L1100 VanDerWaalsContact C-N 3.29Å; A1098-L1100 PolarHBondContact O-N 3.07Å; A1098-I1101 PolarHBondContact O-N 3.34Å; A1098-N1102 WeakPolarHBondContact O-CB 3.28Å; A1098-N1102 PolarHBondContact O-N 3.13Å; A1098-N1102 PolarHBondContact O-ND2 2.87Å
1099N57.1Low55.2Low58 Ų5858.8 Ų58.831%0.3132%0.315SS..Hα-helixtrans-62-38.5173.9-69.3-14.8000111.5E872 K1094 S1096 N1102 F1103E872-N1099 PolarHBondContact OE1-ND2 3.08Å; E872-N1099 PolarHBondContact OE2-ND2 3.22Å; K1094-N1099 PolarHBondContact O-ND2 3.26Å; S1096-N1099 WeakPolarHBondContact O-CB 3.37Å; S1096-N1099 PolarHBondContact O-N 3.06Å; S1096-N1099 VanDerWaalsContact O-N 3.09Å; S1096-N1099 PolarHBondContact OG-N 2.99Å; S1096-N1099 PolarHBondContact OG-ND2 2.99Å; N1099-N1102 PolarHBondContact O-N 3.48Å; N1099-F1103 VanDerWaalsContact O-CB 3.24Å; N1099-F1103 WeakPolarHBondContact O-CB 3.49Å; N1099-F1103 PolarHBondContact O-N 3.11Å
1100L58.2Low56.6Low1 Ų155.5 Ų55.51%0.00529%0.294CS..Hα-helixtrans-64.3-43.1177.6-167.862.7000112.3A971 N972 L975 L1053 S1096 I1097 A1098 S1104A971-L1100 HydrophobicContact CB-CD2 3.74Å; N972-L1100 VanDerWaalsContact OD1-CD1 3.29Å; N972-L1100 WeakPolarHBondContact OD1-CD1 3.48Å; L975-L1100 HydrophobicContact CB-CD1 4.04Å; L975-L1100 HydrophobicContact CD1-CD1 3.41Å; L975-L1100 VanDerWaalsContact CD1-CD1 3.41Å; L975-L1100 HydrophobicContact CD1-CG 3.88Å; L975-L1100 HydrophobicContact CG-CD1 4.33Å; L1053-L1100 HydrophobicContact CD1-CD2 3.95Å; L1053-L1100 HydrophobicContact CD1-CG 4.09Å; L1053-L1100 HydrophobicContact CD2-CD2 3.99Å; S1096-L1100 PolarHBondContact O-N 3.43Å; I1097-L1100 WeakPolarHBondContact O-CB 3.43Å; I1097-L1100 PolarHBondContact O-N 3.23Å; A1098-L1100 VanDerWaalsContact C-N 3.29Å; A1098-L1100 PolarHBondContact O-N 3.07Å; L1100-S1104 WeakPolarHBondContact O-CB 3.36Å; L1100-S1104 PolarHBondContact O-N 3.31Å
1101I58.9Low57.9Low0 Ų052.9 Ų52.90%028%0.279CS..Hα-helixtrans-62.8-52.4174.9-68.5169.6000110.2F1059 F1062 W1063 I1097 A1098 F1103 S1104 C1105F1059-I1101 HydrophobicContact CD1-CD1 3.44Å; F1059-I1101 VanDerWaalsContact CD1-CD1 3.44Å; F1059-I1101 HydrophobicContact CE1-CD1 3.6Å; F1059-I1101 HydrophobicContact CG-CD1 4.35Å; F1062-I1101 HydrophobicContact CD1-CD1 4.27Å; W1063-I1101 HydrophobicContact CE3-CD1 4.47Å; W1063-I1101 HydrophobicContact CE3-CG1 4.49Å; W1063-I1101 HydrophobicContact CE3-CG2 4.22Å; W1063-I1101 HydrophobicContact CZ3-CB 4.46Å; W1063-I1101 HydrophobicContact CZ3-CD1 4.5Å; W1063-I1101 HydrophobicContact CZ3-CG1 4.04Å; W1063-I1101 HydrophobicContact CZ3-CG2 3.83Å; I1097-I1101 HydrophobicContact CG2-CD1 4.43Å; I1097-I1101 VanDerWaalsContact O-CG1 3.27Å; I1097-I1101 WeakPolarHBondContact O-CG1 3.44Å; I1097-I1101 PolarHBondContact O-N 2.91Å; A1098-I1101 PolarHBondContact O-N 3.34Å; I1101-F1103 PolarHBondContact O-N 3.08Å; I1101-S1104 PolarHBondContact O-N 2.97Å; I1101-S1104 VanDerWaalsContact O-N 3.16Å; I1101-S1104 PolarHBondContact O-OG 3.38Å; I1101-C1105 PolarHBondContact O-N 3.38Å; I1101-C1105 PolarHBondContact O-SG 2.91Å
1102N60.6Low59.4Low89 Ų8950 Ų5048%0.47626%0.262SS..Hα-helixtrans-57.2-48179.3-72.3-21.2000111.8A1098 N1099 S1104 C1105 E1106A1098-N1102 WeakPolarHBondContact O-CB 3.28Å; A1098-N1102 PolarHBondContact O-N 3.13Å; A1098-N1102 PolarHBondContact O-ND2 2.87Å; N1099-N1102 PolarHBondContact O-N 3.48Å; N1102-S1104 PolarHBondContact O-N 3.49Å; N1102-C1105 WeakPolarHBondContact O-CB 3.48Å; N1102-C1105 PolarHBondContact O-N 2.69Å; N1102-C1105 VanDerWaalsContact O-N 3.17Å; N1102-E1106 PolarHBondContact O-N 2.86Å
1103F62.7Low60.6Low5 Ų552 Ų522%0.02228%0.277CS..Hα-helixtrans-61.9-40.3177.2-180-110.1000112.3L975 K979 L1088 V1090 I1092 N1099 I1101 C1105 E1106 L1107L975-F1103 HydrophobicContact CD2-CD1 3.96Å; L975-F1103 HydrophobicContact CD2-CE1 3.91Å; K979-F1103 HydrophobicContact CB-CE1 4.35Å; K979-F1103 HydrophobicContact CB-CZ 4.03Å; K979-F1103 HydrophobicContact CD-CZ 3.85Å; K979-F1103 HydrophobicContact CG-CZ 3.95Å; L1088-F1103 HydrophobicContact CD2-CE2 4.1Å; V1090-F1103 HydrophobicContact CB-CD2 3.74Å; V1090-F1103 HydrophobicContact CB-CE2 3.91Å; V1090-F1103 HydrophobicContact CG1-CD2 3.76Å; V1090-F1103 HydrophobicContact CG1-CE2 4.34Å; V1090-F1103 HydrophobicContact CG1-CG 4.34Å; V1090-F1103 HydrophobicContact CG2-CD2 3.91Å; V1090-F1103 HydrophobicContact CG2-CE2 4.2Å; I1092-F1103 HydrophobicContact CD1-CD1 4.32Å; I1092-F1103 HydrophobicContact CD1-CE1 3.75Å; I1092-F1103 HydrophobicContact CD1-CZ 4.02Å; I1092-F1103 HydrophobicContact CG1-CE1 4.49Å; N1099-F1103 VanDerWaalsContact O-CB 3.24Å; N1099-F1103 WeakPolarHBondContact O-CB 3.49Å; N1099-F1103 PolarHBondContact O-N 3.11Å; I1101-F1103 PolarHBondContact O-N 3.08Å; F1103-C1105 VanDerWaalsContact C-N 3.3Å; F1103-C1105 PolarHBondContact O-N 2.97Å; F1103-E1106 PolarHBondContact O-N 3.32Å; F1103-L1107 HydrophobicContact CE1-CD2 4.46Å; F1103-L1107 HydrophobicContact CZ-CD1 4.19Å; F1103-L1107 WeakPolarHBondContact O-CB 3.47Å; F1103-L1107 PolarHBondContact O-N 2.7Å
1104S64.3Low61.7Low0 Ų048 Ų480%025%0.248CC..Hα-helixtrans-62.3-37.9175.379.10000112.2Q1050 L1100 I1101 N1102 R1108Q1050-S1104 PolarHBondContact NE2-O 3.48Å; Q1050-S1104 PolarHBondContact NE2-OG 2.91Å; L1100-S1104 WeakPolarHBondContact O-CB 3.36Å; L1100-S1104 PolarHBondContact O-N 3.31Å; I1101-S1104 PolarHBondContact O-N 2.97Å; I1101-S1104 VanDerWaalsContact O-N 3.16Å; I1101-S1104 PolarHBondContact O-OG 3.38Å; N1102-S1104 PolarHBondContact O-N 3.49Å; S1104-R1108 WeakPolarHBondContact O-CB 3.32Å; S1104-R1108 PolarHBondContact O-N 2.99Å
1105C63Low62.9Low42 Ų4241 Ų4128%0.28422%0.218SC..Hα-helixtrans-69.6-43.9176.7-71.60000112.1I1101 N1102 F1103 R1108 Q1109I1101-C1105 PolarHBondContact O-N 3.38Å; I1101-C1105 PolarHBondContact O-SG 2.91Å; N1102-C1105 WeakPolarHBondContact O-CB 3.48Å; N1102-C1105 PolarHBondContact O-N 2.69Å; N1102-C1105 VanDerWaalsContact O-N 3.17Å; F1103-C1105 VanDerWaalsContact C-N 3.3Å; F1103-C1105 PolarHBondContact O-N 2.97Å; C1105-R1108 PolarHBondContact O-N 3.04Å; C1105-Q1109 WeakPolarHBondContact O-CG 3.41Å; C1105-Q1109 PolarHBondContact O-N 2.89Å
1106E66.1Low64.2Low105 Ų10548.4 Ų48.449%0.49124%0.241SC..Hα-helixtrans-60.1-44.9173.5-72.5-168.6162.300112.1N1102 F1103 R1108 Q1109 K1110N1102-E1106 PolarHBondContact O-N 2.86Å; F1103-E1106 PolarHBondContact O-N 3.32Å; E1106-R1108 VanDerWaalsContact C-N 3.32Å; E1106-R1108 PolarHBondContact O-N 3.48Å; E1106-Q1109 PolarHBondContact O-N 2.8Å; E1106-K1110 PolarHBondContact O-N 3.24Å
1107L67.6Low64.8Low0 Ų048.7 Ų48.70%024%0.239CC..Hα-helixtrans-62.5-41.4179.1-160.574000110.7L975 V982 L1046 L1088 F1103 K1110 I1111L975-L1107 HydrophobicContact CD2-CD2 3.94Å; V982-L1107 HydrophobicContact CB-CD1 4.17Å; V982-L1107 HydrophobicContact CG1-CD1 3.77Å; V982-L1107 HydrophobicContact CG1-CG 4.2Å; V982-L1107 HydrophobicContact CG2-CD2 4.17Å; V982-L1107 HydrophobicContact CG2-CG 4.35Å; L1046-L1107 HydrophobicContact CD1-CD2 4.11Å; L1046-L1107 HydrophobicContact CD2-CB 3.95Å; L1046-L1107 HydrophobicContact CD2-CD2 4.08Å; L1046-L1107 HydrophobicContact CD2-CG 4.15Å; L1088-L1107 HydrophobicContact CD1-CD1 3.7Å; L1088-L1107 HydrophobicContact CD2-CD1 4.17Å; F1103-L1107 HydrophobicContact CE1-CD2 4.46Å; F1103-L1107 HydrophobicContact CZ-CD1 4.19Å; F1103-L1107 WeakPolarHBondContact O-CB 3.47Å; F1103-L1107 PolarHBondContact O-N 2.7Å; L1107-K1110 PolarHBondContact O-N 3.12Å; L1107-I1111 HydrophobicContact CG-CD1 4.39Å; L1107-I1111 WeakPolarHBondContact O-CD1 3.42Å; L1107-I1111 VanDerWaalsContact O-CG1 3.29Å; L1107-I1111 WeakPolarHBondContact O-CG1 3.26Å; L1107-I1111 PolarHBondContact O-N 3.07Å
1108R70.3Confident65.6Low69 Ų6946.8 Ų46.826%0.2623%0.23SC..Hα-helixtrans-64.7-42.3177.4-170.3172.4177.8-135.3-4.9112.1H1043 L1046 W1047 Q1050 S1104 C1105 E1106 I1111 L1112H1043-R1108 PolarHBondContact NE2-NE 2.81Å; H1043-R1108 PolarHBondContact NE2-NH2 3.18Å; L1046-R1108 HydrophobicContact CD2-CB 3.67Å; L1046-R1108 HydrophobicContact CD2-CG 4.39Å; W1047-R1108 VanDerWaalsContact CZ3-NH1 3.34Å; Q1050-R1108 VanDerWaalsContact OE1-CD 3.26Å; S1104-R1108 WeakPolarHBondContact O-CB 3.32Å; S1104-R1108 PolarHBondContact O-N 2.99Å; C1105-R1108 PolarHBondContact O-N 3.04Å; E1106-R1108 VanDerWaalsContact C-N 3.32Å; E1106-R1108 PolarHBondContact O-N 3.48Å; R1108-I1111 PolarHBondContact O-N 3.4Å; R1108-L1112 HydrophobicContact CG-CD1 4.11Å; R1108-L1112 WeakPolarHBondContact O-CG 3.37Å; R1108-L1112 PolarHBondContact O-N 3.28Å
1109Q68.2Low66.2Low125 Ų12546.6 Ų46.658%0.58422%0.223SC*.Hα-helixtrans-61.3-47.9175.1-70.2-66.3-9.500111.2C1105 E1106 I1111 L1112 T1113C1105-Q1109 WeakPolarHBondContact O-CG 3.41Å; C1105-Q1109 PolarHBondContact O-N 2.89Å; E1106-Q1109 PolarHBondContact O-N 2.8Å; Q1109-I1111 VanDerWaalsContact C-N 3.33Å; Q1109-I1111 PolarHBondContact O-N 2.9Å; Q1109-L1112 PolarHBondContact O-N 3.19Å; Q1109-T1113 PolarHBondContact O-N 2.89Å; Q1109-T1113 PolarHBondContact O-OG1 2.9Å; Q1109-T1113 VanDerWaalsContact O-OG1 3.1Å
1110K71.1Confident66.5Low69 Ų6946.1 Ų46.130%0.322%0.224SC..Hα-helixtrans-58.3-41.6177.2-72.4-164.5-179.2-171.60112.6K1086 L1088 E1106 L1107 M1114K1086-K1110 PolarHBondContact O-NZ 3.08Å; K1086-K1110 VanDerWaalsContact O-NZ 3.08Å; L1088-K1110 HydrophobicContact CD2-CD 4.08Å; L1088-K1110 HydrophobicContact CG-CD 4.33Å; E1106-K1110 PolarHBondContact O-N 3.24Å; L1107-K1110 PolarHBondContact O-N 3.12Å; K1110-M1114 WeakPolarHBondContact O-CG 3.41Å; K1110-M1114 PolarHBondContact O-N 3.12Å; K1110-M1114 VanDerWaalsContact O-N 3.12Å
1111I69.7Low66.6Low0 Ų046.9 Ų46.90%023%0.23CC..Hα-helixtrans-65.7-43.9177.1-62.3161.2000111.4V982 L1039 L1042 H1043 L1046 L1107 R1108 Q1109 M1114 I1115V982-I1111 HydrophobicContact CG1-CD1 4.17Å; V982-I1111 HydrophobicContact CG1-CG1 3.84Å; V982-I1111 HydrophobicContact CG2-CD1 3.75Å; V982-I1111 HydrophobicContact CG2-CG1 4.26Å; L1039-I1111 VanDerWaalsContact O-CG2 3.29Å; L1039-I1111 WeakPolarHBondContact O-CG2 3.18Å; L1042-I1111 HydrophobicContact CB-CD1 4.49Å; H1043-I1111 HydrophobicContact CB-CG2 3.91Å; L1046-I1111 HydrophobicContact CD2-CD1 3.84Å; L1107-I1111 HydrophobicContact CG-CD1 4.39Å; L1107-I1111 WeakPolarHBondContact O-CD1 3.42Å; L1107-I1111 VanDerWaalsContact O-CG1 3.29Å; L1107-I1111 WeakPolarHBondContact O-CG1 3.26Å; L1107-I1111 PolarHBondContact O-N 3.07Å; R1108-I1111 PolarHBondContact O-N 3.4Å; Q1109-I1111 VanDerWaalsContact C-N 3.33Å; Q1109-I1111 PolarHBondContact O-N 2.9Å; I1111-M1114 PolarHBondContact O-N 3.11Å; I1111-I1115 HydrophobicContact CG2-CD1 3.75Å; I1111-I1115 HydrophobicContact CG2-CG1 4.41Å; I1111-I1115 WeakPolarHBondContact O-CG1 3.48Å; I1111-I1115 PolarHBondContact O-N 3.3Å
1112L71.3Confident66.5Low59 Ų5948.4 Ų48.431%0.30924%0.238SC..Hα-helixtrans-64.4-40.3179.1-75170.4000112.7R1108 Q1109 I1115 R1116R1108-L1112 HydrophobicContact CG-CD1 4.11Å; R1108-L1112 WeakPolarHBondContact O-CG 3.37Å; R1108-L1112 PolarHBondContact O-N 3.28Å; Q1109-L1112 PolarHBondContact O-N 3.19Å; L1112-I1115 PolarHBondContact O-N 3.44Å; L1112-R1116 WeakPolarHBondContact O-CB 3.48Å; L1112-R1116 PolarHBondContact O-N 2.86Å
1113T71.6Confident66.2Low70 Ų7049.4 Ų49.443%0.42924%0.242SC..Hα-helixtrans-59.4-52.2172.8-57.60000110.8Q1109 I1115 R1116 D1117Q1109-T1113 PolarHBondContact O-N 2.89Å; Q1109-T1113 PolarHBondContact O-OG1 2.9Å; Q1109-T1113 VanDerWaalsContact O-OG1 3.1Å; T1113-I1115 VanDerWaalsContact C-N 3.34Å; T1113-I1115 PolarHBondContact O-N 3.04Å; T1113-R1116 WeakPolarHBondContact O-CB 3.11Å; T1113-R1116 PolarHBondContact O-N 3.25Å; T1113-R1116 VanDerWaalsContact O-N 3.07Å; T1113-D1117 VanDerWaalsContact CG2-OD2 3.32Å; T1113-D1117 WeakPolarHBondContact CG2-OD2 3.49Å; T1113-D1117 PolarHBondContact O-N 3.43Å
1114M67.7Low65.8Low7 Ų756.1 Ų56.13%0.03427%0.271CS..Hα-helixtrans-55.7-44.2178.2-68.5-81.6-48.600113.1I986 A989 L1039 Y1084 K1110 I1111 D1117 L1118I986-M1114 HydrophobicContact CB-CE 4.16Å; I986-M1114 HydrophobicContact CB-SD 4.46Å; I986-M1114 HydrophobicContact CD1-CG 4.44Å; I986-M1114 HydrophobicContact CG1-CE 4.04Å; I986-M1114 HydrophobicContact CG1-CG 4.05Å; I986-M1114 HydrophobicContact CG1-SD 4.09Å; I986-M1114 HydrophobicContact CG2-CE 4.06Å; I986-M1114 HydrophobicContact CG2-SD 3.96Å; A989-M1114 HydrophobicContact CB-CE 3.37Å; L1039-M1114 HydrophobicContact CD1-CB 4.23Å; L1039-M1114 HydrophobicContact CD1-CE 4.35Å; Y1084-M1114 HydrophobicContact CD1-SD 4.1Å; Y1084-M1114 HydrophobicContact CE1-SD 3.6Å; Y1084-M1114 VanDerWaalsContact CE1-SD 3.6Å; K1110-M1114 WeakPolarHBondContact O-CG 3.41Å; K1110-M1114 PolarHBondContact O-N 3.12Å; K1110-M1114 VanDerWaalsContact O-N 3.12Å; I1111-M1114 PolarHBondContact O-N 3.11Å; M1114-D1117 PolarHBondContact O-N 2.94Å; M1114-L1118 WeakPolarHBondContact O-CB 3.32Å; M1114-L1118 VanDerWaalsContact O-CG 3.28Å; M1114-L1118 WeakPolarHBondContact O-CG 3.41Å; M1114-L1118 PolarHBondContact O-N 3.08Å
1115I69.7Low65.2Low13 Ų1358.3 Ų58.37%0.06728%0.282CS..Hα-helixtrans-62.3-44.5177.1-70.5167.3000110.5L1036 L1039 R1040 I1111 L1112 T1113 D1117 L1118 E1119L1036-I1115 HydrophobicContact CD1-CG2 4.39Å; L1039-I1115 HydrophobicContact CB-CD1 4.38Å; L1039-I1115 HydrophobicContact CB-CG1 4.01Å; R1040-I1115 HydrophobicContact CG-CD1 3.85Å; R1040-I1115 HydrophobicContact CG-CG1 4.38Å; I1111-I1115 HydrophobicContact CG2-CD1 3.75Å; I1111-I1115 HydrophobicContact CG2-CG1 4.41Å; I1111-I1115 WeakPolarHBondContact O-CG1 3.48Å; I1111-I1115 PolarHBondContact O-N 3.3Å; L1112-I1115 PolarHBondContact O-N 3.44Å; T1113-I1115 VanDerWaalsContact C-N 3.34Å; T1113-I1115 PolarHBondContact O-N 3.04Å; I1115-D1117 PolarHBondContact O-N 3.34Å; I1115-L1118 PolarHBondContact O-N 3.01Å; I1115-E1119 WeakPolarHBondContact CG2-OE1 3.42Å; I1115-E1119 WeakPolarHBondContact O-CB 3.22Å; I1115-E1119 VanDerWaalsContact O-CG 3.31Å; I1115-E1119 WeakPolarHBondContact O-CG 3.49Å; I1115-E1119 PolarHBondContact O-N 2.89Å
1116R71.1Confident63.9Low190 Ų19059.1 Ų59.172%0.71729%0.288SS*.Hα-helixtrans-64.3-37.7178.5-177.2178.5179.7167.70.9112.8L1112 T1113 E1119 S1120L1112-R1116 WeakPolarHBondContact O-CB 3.48Å; L1112-R1116 PolarHBondContact O-N 2.86Å; T1113-R1116 WeakPolarHBondContact O-CB 3.11Å; T1113-R1116 PolarHBondContact O-N 3.25Å; T1113-R1116 VanDerWaalsContact O-N 3.07Å; R1116-E1119 PolarHBondContact O-N 3.3Å; R1116-S1120 WeakPolarHBondContact O-CB 3.46Å; R1116-S1120 PolarHBondContact O-N 3.36Å
1117D67.7Low62.4Low42 Ų4261.6 Ų61.623%0.22530%0.304CS..Hα-helixtrans-72.3-40.3179.5-67.1-38.3000111.7Y1084 T1113 M1114 I1115 S1120 A1121Y1084-D1117 PolarHBondContact OH-OD2 3.41Å; Y1084-D1117 VanDerWaalsContact OH-OD2 3.14Å; T1113-D1117 VanDerWaalsContact CG2-OD2 3.32Å; T1113-D1117 WeakPolarHBondContact CG2-OD2 3.49Å; T1113-D1117 PolarHBondContact O-N 3.43Å; M1114-D1117 PolarHBondContact O-N 2.94Å; I1115-D1117 PolarHBondContact O-N 3.34Å; D1117-S1120 PolarHBondContact O-N 3.04Å; D1117-A1121 PolarHBondContact O-N 3.47Å
1118L67Low60.8Low2 Ų265.1 Ų65.11%0.0133%0.334CS..Hα-helixtrans-62.5-43.4170.4-68.9167.8000111.7A989 L993 F1032 L1036 L1039 M1114 I1115 S1120 A1121 I1122A989-L1118 HydrophobicContact CB-CD1 4.06Å; A989-L1118 HydrophobicContact CB-CD2 4.33Å; L993-L1118 HydrophobicContact CD1-CD2 3.83Å; L993-L1118 HydrophobicContact CD1-CG 4.49Å; L993-L1118 HydrophobicContact CD2-CD2 4.39Å; L993-L1118 HydrophobicContact CG-CD2 3.88Å; F1032-L1118 HydrophobicContact CD2-CD2 4.27Å; F1032-L1118 HydrophobicContact CE2-CD2 3.45Å; F1032-L1118 VanDerWaalsContact CE2-CD2 3.45Å; F1032-L1118 HydrophobicContact CZ-CB 3.92Å; F1032-L1118 HydrophobicContact CZ-CD2 3.63Å; F1032-L1118 HydrophobicContact CZ-CG 4.38Å; L1036-L1118 HydrophobicContact CD1-CB 3.89Å; L1036-L1118 HydrophobicContact CD1-CD1 3.99Å; L1039-L1118 HydrophobicContact CD1-CD1 3.54Å; M1114-L1118 WeakPolarHBondContact O-CB 3.32Å; M1114-L1118 VanDerWaalsContact O-CG 3.28Å; M1114-L1118 WeakPolarHBondContact O-CG 3.41Å; M1114-L1118 PolarHBondContact O-N 3.08Å; I1115-L1118 PolarHBondContact O-N 3.01Å; L1118-S1120 VanDerWaalsContact C-N 3.33Å; L1118-S1120 PolarHBondContact O-N 3.46Å; L1118-A1121 WeakPolarHBondContact O-CB 3.39Å; L1118-A1121 PolarHBondContact O-N 2.97Å; L1118-I1122 PolarHBondContact O-N 3.05Å
1119E66.2Low59.1Low33 Ų3366 Ų6615%0.15434%0.343CS..Hα-helixtrans-63.7-37174.7-75.3173.6-16000112.2R1040 I1115 R1116 A1121 I1122 I1123 Q1143R1040-E1119 IonicContact CZ-OE1 3.44Å; R1040-E1119 IonicContact NE-OE1 3.73Å; R1040-E1119 IonicContact NH2-OE1 3.89Å; R1040-E1119 PolarHBondContact NH2-OE1 2.93Å; I1115-E1119 WeakPolarHBondContact CG2-OE1 3.42Å; I1115-E1119 WeakPolarHBondContact O-CB 3.22Å; I1115-E1119 VanDerWaalsContact O-CG 3.31Å; I1115-E1119 WeakPolarHBondContact O-CG 3.49Å; I1115-E1119 PolarHBondContact O-N 2.89Å; R1116-E1119 PolarHBondContact O-N 3.3Å; E1119-A1121 VanDerWaalsContact C-N 3.33Å; E1119-A1121 PolarHBondContact O-N 3.28Å; E1119-I1122 PolarHBondContact O-N 2.97Å; E1119-I1123 WeakPolarHBondContact O-CG1 3.38Å; E1119-I1123 PolarHBondContact O-N 3.23Å; E1119-I1123 VanDerWaalsContact O-N 3.1Å; E1119-Q1143 PolarHBondContact OE1-NE2 3.29Å; E1119-Q1143 PolarHBondContact OE2-NE2 2.89Å
1120S63.1Low57.1Low47 Ų4767.2 Ų67.233%0.32935%0.352SS..Hα-helixtrans-65-36.1172.6-166.60000112.3R1116 D1117 L1118 I1123 K1124R1116-S1120 WeakPolarHBondContact O-CB 3.46Å; R1116-S1120 PolarHBondContact O-N 3.36Å; D1117-S1120 PolarHBondContact O-N 3.04Å; L1118-S1120 VanDerWaalsContact C-N 3.33Å; L1118-S1120 PolarHBondContact O-N 3.46Å; S1120-I1123 PolarHBondContact O-N 2.97Å; S1120-K1124 WeakPolarHBondContact O-CG 3.28Å; S1120-K1124 PolarHBondContact O-N 3.12Å
1121A60.7Low55.2Low17 Ų1768 Ų6814%0.1436%0.362CS..Hα-helixtrans-64.7-42.7174.200000112L993 D1117 L1118 E1119 I1123 K1124 Q1125L993-A1121 HydrophobicContact CD2-CB 4.01Å; D1117-A1121 PolarHBondContact O-N 3.47Å; L1118-A1121 WeakPolarHBondContact O-CB 3.39Å; L1118-A1121 PolarHBondContact O-N 2.97Å; E1119-A1121 VanDerWaalsContact C-N 3.33Å; E1119-A1121 PolarHBondContact O-N 3.28Å; A1121-I1123 VanDerWaalsContact C-N 3.34Å; A1121-I1123 PolarHBondContact O-N 3.4Å; A1121-K1124 PolarHBondContact O-N 3.44Å; A1121-Q1125 PolarHBondContact O-N 3.04Å
1122I57.3Low53.1Low32 Ų3278.1 Ų78.116%0.16441%0.406CS..Hα-helixtrans-55.8-50.1172.4-61.7167.4000110.2F1032 L1036 L1118 E1119 K1124 Q1125 S1126 L1136F1032-I1122 HydrophobicContact CE1-CD1 3.89Å; F1032-I1122 HydrophobicContact CE1-CG1 3.61Å; F1032-I1122 HydrophobicContact CZ-CG1 4.08Å; L1036-I1122 HydrophobicContact CD2-CD1 4.31Å; L1118-I1122 PolarHBondContact O-N 3.05Å; E1119-I1122 PolarHBondContact O-N 2.97Å; I1122-K1124 VanDerWaalsContact C-N 3.3Å; I1122-K1124 PolarHBondContact O-N 2.8Å; I1122-Q1125 CarbonylContact O-C 3.54Å; I1122-Q1125 PolarHBondContact O-N 3.28Å; I1122-S1126 WeakPolarHBondContact O-CB 3.49Å; I1122-S1126 PolarHBondContact O-N 2.97Å; I1122-L1136 HydrophobicContact CG2-CD2 4.36Å
1123I54Low51.1Low110 Ų11079.2 Ų79.256%0.56442%0.415SS*.Hα-helixtrans-64.9-33.4-176.8-66.7165.2000111.8E1119 S1120 A1121 S1126E1119-I1123 WeakPolarHBondContact O-CG1 3.38Å; E1119-I1123 PolarHBondContact O-N 3.23Å; E1119-I1123 VanDerWaalsContact O-N 3.1Å; S1120-I1123 PolarHBondContact O-N 2.97Å; A1121-I1123 VanDerWaalsContact C-N 3.34Å; A1121-I1123 PolarHBondContact O-N 3.4Å; I1123-S1126 PolarHBondContact O-OG 3.34Å
1124K54.4Low49.1Very low146 Ų14685.1 Ų85.164%0.63544%0.435SS*.Hα-helixtrans-73-32.8174.7-73.3175.4-178.1176.60112.9S1120 A1121 I1122S1120-K1124 WeakPolarHBondContact O-CG 3.28Å; S1120-K1124 PolarHBondContact O-N 3.12Å; A1121-K1124 PolarHBondContact O-N 3.44Å; I1122-K1124 VanDerWaalsContact C-N 3.3Å; I1122-K1124 PolarHBondContact O-N 2.8Å
1125Q50.7Low47.4Very low47 Ų4794.1 Ų94.122%0.2247%0.468CS..Hα-helixtrans-91.1-7.9179.3-67.7-169.8-15.300114.4A1121 I1122 N1127 A1128 I1129A1121-Q1125 PolarHBondContact O-N 3.04Å; I1122-Q1125 CarbonylContact O-C 3.54Å; I1122-Q1125 PolarHBondContact O-N 3.28Å; Q1125-N1127 PolarHBondContact O-N 3.45Å; Q1125-A1128 PolarHBondContact O-N 2.69Å; Q1125-I1129 HydrophobicContact CB-CD1 3.79Å; Q1125-I1129 HydrophobicContact CB-CG1 4.26Å; Q1125-I1129 PolarHBondContact O-N 3.31Å
1126S37.6Very low45.5Very low58 Ų5896.4 Ų96.441%0.40648%0.48SS..THydrogen-bonded Turntrans-64.8-11.7-172.258.20000115.5I1122 I1123 A1128I1122-S1126 WeakPolarHBondContact O-CB 3.49Å; I1122-S1126 PolarHBondContact O-N 2.97Å; I1123-S1126 PolarHBondContact O-OG 3.34Å; S1126-A1128 PolarHBondContact O-N 2.81Å
1127N34.4Very low43.6Very low157 Ų15791.9 Ų91.984%0.8448%0.478SS*.THydrogen-bonded Turntrans-68.7-19.9168.9-74.5-2.5000113.3Q1125Q1125-N1127 PolarHBondContact O-N 3.45Å
1128A33.7Very low42Very low75 Ų7595.1 Ų95.162%0.6249%0.494SS*.THydrogen-bonded Turntrans-107.3-31.5176.200000113Q1125 S1126 I1130Q1125-A1128 PolarHBondContact O-N 2.69Å; S1126-A1128 PolarHBondContact O-N 2.81Å; A1128-I1130 PolarHBondContact O-N 3.49Å
1129I33.7Very low40.3Very low87 Ų87100 Ų10045%0.44651%0.513SS..  trans-84.858-174.1-45.7178.5000111.8Q1125 V1131Q1125-I1129 HydrophobicContact CB-CD1 3.79Å; Q1125-I1129 HydrophobicContact CB-CG1 4.26Å; Q1125-I1129 PolarHBondContact O-N 3.31Å; I1129-V1131 HydrophobicContact CG2-CB 4.36Å; I1129-V1131 HydrophobicContact CG2-CG2 4.46Å; I1129-V1131 PolarHBondContact O-N 2.63Å
1130I26.9Very low38.7Very low151 Ų151102.3 Ų102.377%0.77452%0.524SS*.  trans-83.653.1167.6-47.6-176.1000109.4A1128A1128-I1130 PolarHBondContact O-N 3.49Å
1131V30.3Very low37.1Very low86 Ų86103.2 Ų103.252%0.52153%0.534SS..  trans-111.696.9-174.3-174.60000111.2I1129 T1133I1129-V1131 HydrophobicContact CG2-CB 4.36Å; I1129-V1131 HydrophobicContact CG2-CG2 4.46Å; I1129-V1131 PolarHBondContact O-N 2.63Å; V1131-T1133 PolarHBondContact O-N 2.77Å
1132K26.1Very low35.8Very low212 Ų212109.5 Ų109.592%0.92256%0.558SS**  trans-11.281.2170.4-63172.3179.6168.10117.5
1133T29.8Very low34.7Very low81 Ų81111 Ų11150%0.49757%0.565SS.*  trans-130.1112.9159.753.90000112.3V1131 R1135V1131-T1133 PolarHBondContact O-N 2.77Å; T1133-R1135 PolarHBondContact O-N 3.19Å
1134K29.5Very low33.6Very low195 Ų195112.9 Ų112.985%0.84857%0.571SS**THydrogen-bonded Turntrans-66.49.2176.4-94-176.9174.3179.10114.8
1135R30.6Very low32.5Very low195 Ų195113.2 Ų113.274%0.73658%0.579SS**THydrogen-bonded Turntrans-98.8-36.8-174.3-71.5-173.5173.5-170.1-1.7113.7T1133 S1137 I1138T1133-R1135 PolarHBondContact O-N 3.19Å; R1135-S1137 PolarHBondContact O-N 3.15Å; R1135-I1138 PolarHBondContact O-N 2.66Å
1136L30.5Very low31.7Very low61 Ų61117.1 Ų117.132%0.31960%0.6SS.*Hα-helixtrans-62.5-40.8-176.3-105.672.1000113.4L1033 I1122 I1138 Y1139 H1140L1033-L1136 HydrophobicContact CD2-CD1 3.86Å; I1122-L1136 HydrophobicContact CG2-CD2 4.36Å; L1136-I1138 PolarHBondContact O-N 3.22Å; L1136-I1138 VanDerWaalsContact O-N 3.14Å; L1136-Y1139 PolarHBondContact O-N 2.85Å; L1136-H1140 PolarHBondContact O-N 3.37Å
1137S32.3Very low31.2Very low95 Ų95120.4 Ų120.466%0.66461%0.613SS**Hα-helixtrans-65.7-15.8-178.654.80000114.4R1135R1135-S1137 PolarHBondContact O-N 3.15Å
1138I33.5Very low31Very low110 Ų110118.2 Ų118.256%0.56461%0.61SS**Hα-helixtrans-86.1-24.4175.7-60.5175.5000111.1R1135 L1136R1135-I1138 PolarHBondContact O-N 2.66Å; L1136-I1138 PolarHBondContact O-N 3.22Å; L1136-I1138 VanDerWaalsContact O-N 3.14Å
1139Y31.3Very low30.6Very low106 Ų106124 Ų12442%0.41662%0.624SS.*Hα-helixtrans-83.4-45.1-176.9-97.4-73.3000113.8L1136 A1141 K1142 Q1143L1136-Y1139 PolarHBondContact O-N 2.85Å; Y1139-A1141 PolarHBondContact O-N 3.11Å; Y1139-K1142 PolarHBondContact O-N 2.91Å; Y1139-Q1143 PolarHBondContact O-N 2.9Å
1140H31.8Very low30.3Very low80 Ų80126 Ų12637%0.3763%0.634SS.*Hα-helixtrans-57.8-34.4178.8-84.1-71.3000112.8L1136 K1142 Q1143 Q1144L1136-H1140 PolarHBondContact O-N 3.37Å; H1140-K1142 PolarHBondContact O-N 3.36Å; H1140-Q1143 PolarHBondContact O-N 2.99Å; H1140-Q1144 PolarHBondContact O-N 3.32Å
1141A29.9Very low30.3Very low67 Ų67124.5 Ų124.555%0.55463%0.634SS**Hα-helixtrans-68-13.3176.500000114.6Y1139Y1139-A1141 PolarHBondContact O-N 3.11Å
1142K33.4Very low30.1Very low149 Ų149128.8 Ų128.865%0.64865%0.646SS**Hα-helixtrans-97.2-32.4176-78.8-173172.5-176.10113.8Y1139 H1140Y1139-K1142 PolarHBondContact O-N 2.91Å; H1140-K1142 PolarHBondContact O-N 3.36Å
1143Q33.4Very low30.1Very low63 Ų63125.6 Ų125.629%0.29464%0.638SS.*Hα-helixtrans-77.3-27.1-179.7-78.5165.8-90.300113.4R1040 E1119 Y1139 H1140 L1145 I1146R1040-Q1143 VanDerWaalsContact CZ-OE1 3.29Å; E1119-Q1143 PolarHBondContact OE1-NE2 3.29Å; E1119-Q1143 PolarHBondContact OE2-NE2 2.89Å; Y1139-Q1143 PolarHBondContact O-N 2.9Å; H1140-Q1143 PolarHBondContact O-N 2.99Å; Q1143-L1145 PolarHBondContact O-N 3.34Å; Q1143-I1146 PolarHBondContact O-N 3.19Å
1144Q32.2Very low30Very low149 Ų149128.2 Ų128.270%0.69665%0.653SS**THydrogen-bonded Turntrans-62.1-5.3174.6-75.3-177.4-22.100114.9H1140H1140-Q1144 PolarHBondContact O-N 3.32Å
1145L31Very low29.9Very low154 Ų154127.6 Ų127.681%0.80665%0.653SS**THydrogen-bonded Turntrans-94.2-5.1178-104.3161.1000114.4Q1143Q1143-L1145 PolarHBondContact O-N 3.34Å
1146I34.6Very low29.8Very low129 Ų129125.7 Ų125.766%0.66265%0.65SS**THydrogen-bonded Turntrans-111.3-35.7-171.9-62.7-179.8000112.9Q1143Q1143-I1146 PolarHBondContact O-N 3.19Å
1147D27.2Very low29.8Very low126 Ų126128.4 Ų128.467%0.67467%0.665SS**SBendtrans-127.2102.4-177.4-84.9-57.7000114.5
1148S29Very low29.7Very low112 Ų112133.1 Ų133.178%0.78367%0.674SS**  trans68.1141.8158.375.70000120.4I1150S1148-I1150 PolarHBondContact O-N 3.38Å
1149H25Very low29.4Very low196 Ų196137.3 Ų137.391%0.90769%0.691SS**  trans-77.494.5-178.2-73.3-94.1000114
1150I27.8Very low29.5Very low129 Ų129137.6 Ų137.666%0.66270%0.703SS**  trans-142.4108.5150.2-53.1-179.1000110.5S1148 F1152S1148-I1150 PolarHBondContact O-N 3.38Å; I1150-F1152 HydrophobicContact CG2-CD2 4.02Å; I1150-F1152 HydrophobicContact CG2-CE2 4.4Å; I1150-F1152 PolarHBondContact O-N 2.95Å
1151P26.6Very low29.4Very low119 Ų119139.6 Ų139.677%0.77372%0.716SS**  trans-84.2108.8171.132.1-30.6000111
1152F26.3Very low29.4Very low177 Ų177143.5 Ų143.578%0.77673%0.727SS**  trans-92.5119.7164.9-109.7-86000110.2I1150I1150-F1152 HydrophobicContact CG2-CD2 4.02Å; I1150-F1152 HydrophobicContact CG2-CE2 4.4Å; I1150-F1152 PolarHBondContact O-N 2.95Å
1153I25.5Very low29.1Very low144 Ų144143.4 Ų143.474%0.73873%0.734SS**  trans-85.2117.5174.3-59.1172.1000108.1E1155I1153-E1155 HydrophobicContact CG2-CB 4.25Å
1154V27.8Very low29Very low137 Ų137145.6 Ų145.683%0.8375%0.751SS**  trans-113.296.2159.2-178.90000106.3
1155E29.1Very low28.9Very low181 Ų181144.8 Ų144.885%0.84675%0.75SS**  trans-75.2168.9176.1-162.9160.3-14600110.7I1153I1153-E1155 HydrophobicContact CG2-CB 4.25Å
1156K28.4Very low28.8Very low155 Ų155142.9 Ų142.967%0.67475%0.75SS**  trans-120.2170.3-144-152.7178.4156.7-78.80111.9
1157D28.9Very low28.6Very low119 Ų119141.3 Ų141.364%0.63675%0.751SS**  trans61.8110.5159-57-39.2000117.5
1158K30.7Very low28.5Very low193 Ų193143 Ų14384%0.83976%0.759SS**  trans-153.584149.3-115.9167.8-168.6173.40112.3
1159E28.3Very low28.6Very low198 Ų198145.6 Ų145.693%0.92577%0.765SS**  trans-63.3119.2134.5-65178.414400106.4
1160V32.4Very low28.6Very low112 Ų112141.3 Ų141.368%0.67976%0.757SS**  trans174.2127.4156.9139.70000109.5
1161I29.8Very low28.6Very low123 Ų123142.2 Ų142.263%0.63177%0.768SS**  trans71.887.7170.7-61.6158000116.2V1164I1161-V1164 HydrophobicContact CG2-CB 4.2Å; I1161-V1164 HydrophobicContact CG2-CG2 3.87Å
1162D29.9Very low28.6Very low148 Ų148145 Ų14579%0.79177%0.771SS**SBend-63.7151.9115.1-76.6-57.2000109.5
1163N27.9Very low28.6Very low148 Ų148142.1 Ų142.179%0.79177%0.767SS**  trans86.944.1174-45.9-79.8000118.9
1164V31.4Very low28.6Very low109 Ų109142.2 Ų142.266%0.66177%0.769SS**  trans-135.190.6146.2-1790000107.2I1161I1161-V1164 HydrophobicContact CG2-CB 4.2Å; I1161-V1164 HydrophobicContact CG2-CG2 3.87Å
1165I30.2Very low28.5Very low131 Ų131142.4 Ų142.467%0.67277%0.766SS**  58.189.495.9-60.5164000110
1166S27.4Very low28.4Very low114 Ų114143.6 Ų143.680%0.79776%0.764SS**  7050.667.888.50000115.7
1167S30.9Very low28.4Very low97 Ų97141.5 Ų141.568%0.67876%0.76SS**  trans-157.4119.8154.447.80000107.5
1168N25.7Very low28.3Very low160 Ų160144 Ų14486%0.85677%0.773SS**  42.981.781.7-77.47.2000112.8
1169D30.2Very low28.2Very low168 Ų168143.1 Ų143.190%0.89877%0.771SS**  -149.9143.5126-112.1-29000110.7
1170S25.5Very low28.2Very low105 Ų105137.1 Ų137.173%0.73475%0.748SS**  trans-98.2130.1-169.157.80000112.9
1171V26.8Very low28Very low149 Ų149135.2 Ų135.290%0.90374%0.744SS**  trans-117.1130.2153-178.70000107.1
1172Q28.1Very low28Very low177 Ų177135.1 Ų135.183%0.82775%0.749SS**  trans-75.6144.5-161.2-66.8173.4-95.800113.3
1173V24.5Very low27.8Very low116 Ų116130.3 Ų130.370%0.70374%0.735SS**  trans-68.6130.5155.4175.60000108
1174D26.7Very low27.8Very low147 Ų147130 Ų13079%0.78673%0.728SS**  trans-117.1126.6156.9-111.8-31.9000108.4Y1176D1174-Y1176 PolarHBondContact O-N 2.68Å
1175N26Very low27.6Very low140 Ų140132.6 Ų132.675%0.74974%0.737SS**  trans-79.1114.7-173.8-71.5-54.5000111
1176Y25.9Very low27.5Very low206 Ų206133.7 Ų133.781%0.80874%0.739SS**  trans-134.1100.8162.5-88.3-76.3000111.9D1174D1174-Y1176 PolarHBondContact O-N 2.68Å
1177D28.2Very low27.4Very low112 Ų112131.7 Ų131.760%0.59973%0.725SS**  trans31101.7164.6-65.6-44.8000118.9H1179 T1180D1177-H1179 PolarHBondContact O-N 3.49Å; D1177-T1180 WeakPolarHBondContact CB-OG1 3.45Å; D1177-T1180 PolarHBondContact O-N 2.94Å
1178L27.2Very low27.2Very low172 Ų172139.1 Ų139.190%0.90174%0.739SS**THydrogen-bonded Turntrans-54.9-14.6165.4-160.168.2000113.5
1179H28.5Very low27.2Very low174 Ų174136.8 Ų136.881%0.80674%0.735SS**THydrogen-bonded Turntrans-78.5-21.6174.6-107.5-77.6000114.9D1177D1177-H1179 PolarHBondContact O-N 3.49Å
1180T29.7Very low27.1Very low71 Ų71135.2 Ų135.244%0.43672%0.72SS.*THydrogen-bonded Turntrans-90.9-25-167.5-50.30000112.9D1177 V1182 G1183D1177-T1180 WeakPolarHBondContact CB-OG1 3.45Å; D1177-T1180 PolarHBondContact O-N 2.94Å; T1180-V1182 PolarHBondContact O-N 3.32Å; T1180-G1183 PolarHBondContact O-N 2.97Å
1181A28.3Very low27.2Very low73 Ų73137.4 Ų137.460%0.60372%0.723SS**Hα-helixtrans-66.2-32.1-178.300000113.8G1183 H1184A1181-G1183 VanDerWaalsContact C-N 3.25Å; A1181-G1183 PolarHBondContact O-N 3.37Å; A1181-H1184 PolarHBondContact O-N 3.49Å
1182V28.5Very low27.1Very low121 Ų121135.6 Ų135.673%0.73372%0.716SS**Hα-helixtrans-66-29.3178.6-176.20000111.6T1180T1180-V1182 PolarHBondContact O-N 3.32Å
1183G26.1Very low27.4Very low47 Ų47129.7 Ų129.749%0.48569%0.694SS.*Hα-helixtrans-75.9-28.3179.100000114.8T1180 A1181 H1186T1180-G1183 PolarHBondContact O-N 2.97Å; A1181-G1183 VanDerWaalsContact C-N 3.25Å; A1181-G1183 PolarHBondContact O-N 3.37Å; G1183-H1186 PolarHBondContact O-N 3.47Å
1184H27.8Very low27.6Very low142 Ų142128.1 Ų128.166%0.65768%0.681SS**Hα-helixtrans-86.9-7.8-168.8-85.5-61.4000116.1A1181 H1186A1181-H1184 PolarHBondContact O-N 3.49Å; H1184-H1186 VanDerWaalsContact C-N 3.31Å
1185L27.1Very low27.5Very low163 Ų163130.5 Ų130.585%0.85368%0.68SS**THydrogen-bonded Turntrans-80.3-10166.8-84.1163.7000113.3S1187L1185-S1187 VanDerWaalsContact C-N 3.34Å; L1185-S1187 PolarHBondContact O-N 3.12Å
1186H28.1Very low27.6Very low153 Ų153131.1 Ų131.171%0.70868%0.678SS**THydrogen-bonded Turntrans-82.10.3-176.7-106.654.8000115.3G1183 H1184G1183-H1186 PolarHBondContact O-N 3.47Å; H1184-H1186 VanDerWaalsContact C-N 3.31Å
1187S25.6Very low27.7Very low73 Ų73123.5 Ų123.551%0.5165%0.653SS.*SBendtrans-144.158.5-166.969.70000116.2L1185L1185-S1187 VanDerWaalsContact C-N 3.34Å; L1185-S1187 PolarHBondContact O-N 3.12Å
1188R25.8Very low27.6Very low253 Ų253123.5 Ų123.596%0.95565%0.653SS**SBendtrans-149.3-0.3162.2-127.2171.3-176.3173.30.9120.3
1189S26.6Very low27.7Very low111 Ų111124.5 Ų124.578%0.77665%0.65SS**SBendtrans-112.320.5167.550.80000113L1191S1189-L1191 PolarHBondContact O-N 2.9Å
1190F27.9Very low27.7Very low135 Ų135119.3 Ų119.359%0.59263%0.633SS**THydrogen-bonded Turntrans-77.234.6-168.8-134.3-80.9000114.8
1191L27.1Very low27.5Very low151 Ų151122.2 Ų122.279%0.79164%0.642SS**THydrogen-bonded Turntrans-129.1-15.8-168.4-115.9153.8000115.4S1189S1189-L1191 PolarHBondContact O-N 2.9Å
1192C25.5Very low27.5Very low111 Ų111123.5 Ų123.575%0.7564%0.643SS**THydrogen-bonded Turntrans-108.5-24170.2-68.70000113.5L1194 Y1195C1192-L1194 PolarHBondContact O-N 2.92Å; C1192-Y1195 PolarHBondContact O-N 3.12Å
1193S33.8Very low27.4Very low53 Ų53129.1 Ų129.137%0.37165%0.652SS.*Hα-helixtrans-63.6-26.1173.955.20000112.5Y1195 H1196 T1197S1193-Y1195 VanDerWaalsContact C-N 3.27Å; S1193-Y1195 PolarHBondContact O-N 3.24Å; S1193-H1196 CarbonylContact O-C 3.6Å; S1193-H1196 WeakPolarHBondContact O-CA 3.32Å; S1193-H1196 PolarHBondContact O-N 2.87Å; S1193-T1197 PolarHBondContact O-N 3.43Å; S1193-T1197 PolarHBondContact O-OG1 2.79Å
1194L28.2Very low27.4Very low82 Ų82130.8 Ų130.843%0.42966%0.656SS.*Hα-helixtrans-60.6-30.3-179.7-115.7163.6000113.8C1192 T1197 L1198C1192-L1194 PolarHBondContact O-N 2.92Å; L1194-T1197 WeakPolarHBondContact CA-OG1 3.48Å; L1194-L1198 HydrophobicContact CD2-CD1 3.98Å; L1194-L1198 HydrophobicContact CD2-CG 4.04Å; L1194-L1198 VanDerWaalsContact O-CB 3.26Å; L1194-L1198 WeakPolarHBondContact O-CB 3.34Å; L1194-L1198 WeakPolarHBondContact O-CD1 3.44Å; L1194-L1198 VanDerWaalsContact O-CG 3.27Å; L1194-L1198 WeakPolarHBondContact O-CG 3.33Å; L1194-L1198 PolarHBondContact O-N 3.24Å
1195Y25.2Very low27.3Very low197 Ų197130.1 Ų130.177%0.77367%0.668SS**Hα-helixtrans-74.1-29.6172-104.6-89.8000112.8C1192 S1193C1192-Y1195 PolarHBondContact O-N 3.12Å; S1193-Y1195 VanDerWaalsContact C-N 3.27Å; S1193-Y1195 PolarHBondContact O-N 3.24Å
1196H28.6Very low27.2Very low154 Ų154126.8 Ų126.871%0.71366%0.658SS**Hα-helixtrans-82.8-30.6174.8-107.3-78000113S1193 S1200S1193-H1196 CarbonylContact O-C 3.6Å; S1193-H1196 WeakPolarHBondContact O-CA 3.32Å; S1193-H1196 PolarHBondContact O-N 2.87Å; H1196-S1200 WeakPolarHBondContact O-CB 3.46Å; H1196-S1200 PolarHBondContact O-N 3.01Å
1197T27.9Very low27.1Very low45 Ų45126 Ų12628%0.27666%0.659SS.*Hα-helixtrans-83.5-29.8175.354.70000113.1S1193 L1194 F1199 S1200 Q1201S1193-T1197 PolarHBondContact O-N 3.43Å; S1193-T1197 PolarHBondContact O-OG1 2.79Å; L1194-T1197 WeakPolarHBondContact CA-OG1 3.48Å; T1197-F1199 PolarHBondContact O-N 2.91Å; T1197-S1200 CarbonylContact O-C 3.52Å; T1197-S1200 PolarHBondContact O-N 3.46Å; T1197-Q1201 HydrophobicContact CG2-CG 4.33Å; T1197-Q1201 WeakPolarHBondContact O-CB 3.33Å; T1197-Q1201 PolarHBondContact O-N 3.2Å
1198L26.7Very low27.1Very low113 Ų113127.3 Ų127.359%0.59267%0.666SS**THydrogen-bonded Turntrans-64.1-21.4167.4-77.3168.5000112.8L1194 T1202L1194-L1198 HydrophobicContact CD2-CD1 3.98Å; L1194-L1198 HydrophobicContact CD2-CG 4.04Å; L1194-L1198 VanDerWaalsContact O-CB 3.26Å; L1194-L1198 WeakPolarHBondContact O-CB 3.34Å; L1194-L1198 WeakPolarHBondContact O-CD1 3.44Å; L1194-L1198 VanDerWaalsContact O-CG 3.27Å; L1194-L1198 WeakPolarHBondContact O-CG 3.33Å; L1194-L1198 PolarHBondContact O-N 3.24Å; L1198-T1202 PolarHBondContact O-OG1 3.41Å
1199F28.3Very low27Very low192 Ų192123.8 Ų123.884%0.84266%0.66SS**THydrogen-bonded Turntrans-96.5-0.6170.1-117.3-83000114.8T1197T1197-F1199 PolarHBondContact O-N 2.91Å
1200S28.8Very low27Very low65 Ų65126 Ų12646%0.45566%0.655SS.*THydrogen-bonded Turntrans-141.44.1-172.8-1650000115.7H1196 T1197H1196-S1200 WeakPolarHBondContact O-CB 3.46Å; H1196-S1200 PolarHBondContact O-N 3.01Å; T1197-S1200 CarbonylContact O-C 3.52Å; T1197-S1200 PolarHBondContact O-N 3.46Å
1201Q25.6Very low26.9Very low132 Ų132127.8 Ų127.862%0.61767%0.669SS**SBendtrans-127.84173.8-66.8-171.9-48.400113.7T1197T1197-Q1201 HydrophobicContact CG2-CG 4.33Å; T1197-Q1201 WeakPolarHBondContact O-CB 3.33Å; T1197-Q1201 PolarHBondContact O-N 3.2Å
1202T27.8Very low27Very low101 Ų101126 Ų12662%0.6266%0.66SS**SBendtrans-11992.8155.954.50000107L1198L1198-T1202 PolarHBondContact O-OG1 3.41Å
1203Y26.3Very low27.1Very low238 Ų238126.2 Ų126.293%0.93366%0.662SS**SBendcis-104.2125.440.8-79.6-106.1000115.4
1204S27.5Very low26.9Very low82 Ų82129.1 Ų129.157%0.57367%0.672SS**  trans-77.2152.9166.5178.90000111.4S1206S1204-S1206 VanDerWaalsContact C-N 3.29Å; S1204-S1206 PolarHBondContact O-N 3.32Å
1205S25Very low27.2Very low128 Ų128130 Ų13090%0.89568%0.678SS**SBendtrans-67.267.9176.839.30000113.7
1206S26.1Very low28Very low94 Ų94129.7 Ų129.766%0.65768%0.68SS**  trans-153.249.5175.757.90000116.5S1204S1204-S1206 VanDerWaalsContact C-N 3.29Å; S1204-S1206 PolarHBondContact O-N 3.32Å
1207L25.9Very low28.8Very low136 Ų136132.8 Ų132.871%0.71269%0.685SS**  trans-162.9101.7153.8-112.6173.8000113F1210L1207-F1210 HydrophobicContact CD2-CD2 3.85Å; L1207-F1210 HydrophobicContact CD2-CE2 3.96Å
1208P24.3Very low29.7Very low101 Ų101133.2 Ų133.266%0.65669%0.69SS**  trans-76156.8163.334-34.2000110.6
1209H23.9Very low30.8Very low179 Ų179134.4 Ų134.483%0.82969%0.691SS**  trans48.785.9170.6-54.7-73.7000117.3
1210F27.1Very low32.2Very low157 Ų157127 Ų12769%0.68967%0.669SS**  trans-134.286.3150.4-95.5-65.3000113.3L1207 I1212L1207-F1210 HydrophobicContact CD2-CD2 3.85Å; L1207-F1210 HydrophobicContact CD2-CE2 3.96Å; F1210-I1212 HydrophobicContact CB-CD1 4.44Å; F1210-I1212 HydrophobicContact CB-CG1 4.3Å; F1210-I1212 HydrophobicContact CD1-CD1 3.68Å; F1210-I1212 HydrophobicContact CD1-CG1 3.69Å; F1210-I1212 HydrophobicContact CE1-CD1 4.29Å; F1210-I1212 HydrophobicContact CG-CD1 4.24Å; F1210-I1212 HydrophobicContact CG-CG1 4.37Å; F1210-I1212 PolarHBondContact O-N 2.91Å
1211I25.3Very low33.9Very low173 Ų173133.2 Ų133.289%0.88768%0.682SS**  trans-67.2112152.9-61.5167000106.6
1212I29.8Very low35.5Very low114 Ų114130.4 Ų130.459%0.58568%0.677SS**  trans-129.2121.2167.8-59.3-176.6000109F1210 I1214F1210-I1212 HydrophobicContact CB-CD1 4.44Å; F1210-I1212 HydrophobicContact CB-CG1 4.3Å; F1210-I1212 HydrophobicContact CD1-CD1 3.68Å; F1210-I1212 HydrophobicContact CD1-CG1 3.69Å; F1210-I1212 HydrophobicContact CE1-CD1 4.29Å; F1210-I1212 HydrophobicContact CG-CD1 4.24Å; F1210-I1212 HydrophobicContact CG-CG1 4.37Å; F1210-I1212 PolarHBondContact O-N 2.91Å; I1212-I1214 PolarHBondContact O-N 3.16Å
1213S26.4Very low37.3Very low115 Ų115131 Ų13180%0.80467%0.671SS**  trans-68.598.3172.454.30000110.3D1215S1213-D1215 PolarHBondContact O-N 3.37Å
1214I30.5Very low39.5Very low114 Ų114125.1 Ų125.159%0.58566%0.655SS**  trans-76103.3175.6-61.2-176.3000108.9I1212I1212-I1214 PolarHBondContact O-N 3.16Å
1215D33.7Very low41.7Very low101 Ų101126.2 Ų126.254%0.5465%0.653SS.*  trans-53.8149.3177175.741000112.4S1213 R1217 S1218 F1219S1213-D1215 PolarHBondContact O-N 3.37Å; D1215-R1217 PolarHBondContact O-N 2.99Å; D1215-S1218 WeakPolarHBondContact O-CA 3.09Å; D1215-S1218 VanDerWaalsContact O-CB 3.31Å; D1215-S1218 WeakPolarHBondContact O-CB 3.48Å; D1215-S1218 PolarHBondContact O-N 2.81Å; D1215-F1219 PolarHBondContact O-N 3.48Å
1216K42.3Very low44Very low190 Ų190126.7 Ų126.783%0.82664%0.639SS**Hα-helixtrans-55.7-29.5-174.6-72.1-176.1174.5-179.30113.2
1217R46.1Very low46.4Very low218 Ų218125.5 Ų125.582%0.82363%0.625SS**Hα-helixtrans-70-29.5174.5-78.5179.9162.5172.3-3.5113.7D1215D1215-R1217 PolarHBondContact O-N 2.99Å
1218S47.2Very low48.7Very low54 Ų54124.1 Ų124.138%0.37862%0.618SS.*Hα-helixtrans-76.9-41.5179.2-56.70000111.1D1215 G1220 R1221 C1222D1215-S1218 WeakPolarHBondContact O-CA 3.09Å; D1215-S1218 VanDerWaalsContact O-CB 3.31Å; D1215-S1218 WeakPolarHBondContact O-CB 3.48Å; D1215-S1218 PolarHBondContact O-N 2.81Å; S1218-G1220 VanDerWaalsContact C-N 3.29Å; S1218-G1220 PolarHBondContact O-N 3.24Å; S1218-R1221 PolarHBondContact O-N 3.21Å; S1218-C1222 PolarHBondContact O-N 2.84Å
1219F48.1Very low51.2Low139 Ų139124.3 Ų124.361%0.6161%0.612SS**Hα-helixtrans-54-44.6175.9-174-91.8000112D1215 R1221 C1222 F1223D1215-F1219 PolarHBondContact O-N 3.48Å; F1219-R1221 VanDerWaalsContact C-N 3.27Å; F1219-R1221 PolarHBondContact O-N 3.09Å; F1219-C1222 PolarHBondContact O-N 3.35Å; F1219-F1223 HydrophobicContact CE1-CB 4.45Å; F1219-F1223 VanDerWaalsContact O-CB 3.31Å; F1219-F1223 WeakPolarHBondContact O-CB 3.39Å; F1219-F1223 PolarHBondContact O-N 2.85Å
1220G58.8Low53.6Low37 Ų37121.3 Ų121.338%0.38160%0.597SS.*Hα-helixtrans-61-30.1176.800000114.5S1218 L1224S1218-G1220 VanDerWaalsContact C-N 3.29Å; S1218-G1220 PolarHBondContact O-N 3.24Å; G1220-L1224 WeakPolarHBondContact O-CB 3.4Å; G1220-L1224 PolarHBondContact O-N 3.23Å; G1220-L1224 VanDerWaalsContact O-N 3.15Å
1221R64.6Low56Low194 Ų194117.9 Ų117.973%0.73259%0.585SS**Hα-helixtrans-77.3-44.1174-72.1-177.2171.5-179.1-3111.9S1218 F1219 F1223 L1224 I1225S1218-R1221 PolarHBondContact O-N 3.21Å; F1219-R1221 VanDerWaalsContact C-N 3.27Å; F1219-R1221 PolarHBondContact O-N 3.09Å; R1221-F1223 VanDerWaalsContact C-N 3.32Å; R1221-F1223 PolarHBondContact O-N 3.08Å; R1221-L1224 PolarHBondContact O-N 3.21Å; R1221-I1225 WeakPolarHBondContact O-CG1 3.45Å; R1221-I1225 PolarHBondContact O-N 2.91Å
1222C58.8Low58.3Low73 Ų73113.5 Ų113.549%0.49357%0.566SS.*Hα-helixtrans-61.9-40.8175.6-63.80000111.5S1218 F1219 I1225 F1226S1218-C1222 PolarHBondContact O-N 2.84Å; F1219-C1222 PolarHBondContact O-N 3.35Å; C1222-I1225 PolarHBondContact O-N 3.23Å; C1222-F1226 WeakPolarHBondContact O-CB 3.4Å; C1222-F1226 PolarHBondContact O-N 2.9Å
1223F66.1Low60.2Low114 Ų114114.3 Ų114.350%0.557%0.566SS.*Hα-helixtrans-63.9-42.6174.3-173.3-97000112.1F1219 R1221 I1225 F1226 L1227F1219-F1223 HydrophobicContact CE1-CB 4.45Å; F1219-F1223 VanDerWaalsContact O-CB 3.31Å; F1219-F1223 WeakPolarHBondContact O-CB 3.39Å; F1219-F1223 PolarHBondContact O-N 2.85Å; R1221-F1223 VanDerWaalsContact C-N 3.32Å; R1221-F1223 PolarHBondContact O-N 3.08Å; F1223-I1225 PolarHBondContact O-N 3.07Å; F1223-F1226 PolarHBondContact O-N 3.45Å; F1223-L1227 HydrophobicContact CD1-CD1 4.45Å; F1223-L1227 HydrophobicContact CE1-CD1 3.66Å; F1223-L1227 HydrophobicContact CZ-CD1 4.01Å; F1223-L1227 WeakPolarHBondContact O-CB 3.32Å; F1223-L1227 PolarHBondContact O-N 3Å
1224L71.2Confident62.3Low115 Ų115112.7 Ų112.760%0.60255%0.547SS*.Hα-helixtrans-62.2-40.7173.7-103.6165.2000112.7G1220 R1221 L1228G1220-L1224 WeakPolarHBondContact O-CB 3.4Å; G1220-L1224 PolarHBondContact O-N 3.23Å; G1220-L1224 VanDerWaalsContact O-N 3.15Å; R1221-L1224 PolarHBondContact O-N 3.21Å; L1224-L1228 VanDerWaalsContact O-CB 3.23Å; L1224-L1228 WeakPolarHBondContact O-CB 3.32Å; L1224-L1228 PolarHBondContact O-N 3.04Å
1225I75.2Confident64Low104 Ų104111.7 Ų111.753%0.53354%0.543SS..Hα-helixtrans-65.8-45.8176-68.8164.4000110.4R1221 C1222 F1223 L1227 L1228 I1229R1221-I1225 WeakPolarHBondContact O-CG1 3.45Å; R1221-I1225 PolarHBondContact O-N 2.91Å; C1222-I1225 PolarHBondContact O-N 3.23Å; F1223-I1225 PolarHBondContact O-N 3.07Å; I1225-L1227 PolarHBondContact O-N 3.45Å; I1225-L1228 PolarHBondContact O-N 2.76Å; I1225-I1229 HydrophobicContact CG2-CD1 3.82Å; I1225-I1229 VanDerWaalsContact O-CG1 3.29Å; I1225-I1229 WeakPolarHBondContact O-CG1 3.28Å; I1225-I1229 PolarHBondContact O-N 2.86Å
1226F73Confident65.5Low138 Ų138113.1 Ų113.161%0.60554%0.544SS*.Hα-helixtrans-60.8-45.1176.7-176.2-92.4000111.9C1222 F1223 L1228 I1229 F1230C1222-F1226 WeakPolarHBondContact O-CB 3.4Å; C1222-F1226 PolarHBondContact O-N 2.9Å; F1223-F1226 PolarHBondContact O-N 3.45Å; F1226-L1228 VanDerWaalsContact C-N 3.34Å; F1226-L1228 PolarHBondContact O-N 3.11Å; F1226-I1229 PolarHBondContact O-N 3.41Å; F1226-F1230 VanDerWaalsContact O-CB 3.32Å; F1226-F1230 WeakPolarHBondContact O-CB 3.31Å; F1226-F1230 PolarHBondContact O-N 3.25Å
1227L75.4Confident66Low69 Ų69109.2 Ų109.236%0.36153%0.529SS..Hα-helixtrans-68.1-33.5179-167.7149.5000111.8F1223 I1225 F1230 I1231F1223-L1227 HydrophobicContact CD1-CD1 4.45Å; F1223-L1227 HydrophobicContact CE1-CD1 3.66Å; F1223-L1227 HydrophobicContact CZ-CD1 4.01Å; F1223-L1227 WeakPolarHBondContact O-CB 3.32Å; F1223-L1227 PolarHBondContact O-N 3Å; I1225-L1227 PolarHBondContact O-N 3.45Å; L1227-F1230 PolarHBondContact O-N 3.46Å; L1227-I1231 HydrophobicContact CD2-CD1 3.6Å; L1227-I1231 HydrophobicContact CD2-CG1 4.31Å; L1227-I1231 WeakPolarHBondContact O-CB 3.46Å; L1227-I1231 WeakPolarHBondContact O-CG1 3.3Å; L1227-I1231 PolarHBondContact O-N 2.96Å
1228L75.3Confident66.4Low108 Ų108102.8 Ų102.857%0.56552%0.517SS*.Hα-helixtrans-70.6-41.4173-164.2155.2000111.6L1224 I1225 F1226 F1230 I1231 V1232L1224-L1228 VanDerWaalsContact O-CB 3.23Å; L1224-L1228 WeakPolarHBondContact O-CB 3.32Å; L1224-L1228 PolarHBondContact O-N 3.04Å; I1225-L1228 PolarHBondContact O-N 2.76Å; F1226-L1228 VanDerWaalsContact C-N 3.34Å; F1226-L1228 PolarHBondContact O-N 3.11Å; L1228-F1230 VanDerWaalsContact C-N 3.32Å; L1228-F1230 PolarHBondContact O-N 3.38Å; L1228-I1231 PolarHBondContact O-N 2.87Å; L1228-V1232 HydrophobicContact CD2-CG2 4.1Å; L1228-V1232 WeakPolarHBondContact O-CB 3.49Å; L1228-V1232 WeakPolarHBondContact O-CG2 3.23Å; L1228-V1232 PolarHBondContact O-N 2.79Å
1229I77.3Confident66.5Low104 Ų104108.3 Ų108.353%0.53354%0.535SS..Hα-helixtrans-60.4-43171.1-70165.1000110.5I1225 F1226 V1232 F1233I1225-I1229 HydrophobicContact CG2-CD1 3.82Å; I1225-I1229 VanDerWaalsContact O-CG1 3.29Å; I1225-I1229 WeakPolarHBondContact O-CG1 3.28Å; I1225-I1229 PolarHBondContact O-N 2.86Å; F1226-I1229 PolarHBondContact O-N 3.41Å; I1229-V1232 PolarHBondContact O-N 2.96Å; I1229-F1233 WeakPolarHBondContact O-CB 3.48Å; I1229-F1233 PolarHBondContact O-N 3.38Å
1230F72.9Confident66.6Low117 Ų117109.4 Ų109.451%0.51354%0.54SS..Hα-helixtrans-65.4-41.3178.6-171.9-106.6000112.4F1226 L1227 L1228 F1233 I1234F1226-F1230 VanDerWaalsContact O-CB 3.32Å; F1226-F1230 WeakPolarHBondContact O-CB 3.31Å; F1226-F1230 PolarHBondContact O-N 3.25Å; L1227-F1230 PolarHBondContact O-N 3.46Å; L1228-F1230 VanDerWaalsContact C-N 3.32Å; L1228-F1230 PolarHBondContact O-N 3.38Å; F1230-F1233 PolarHBondContact O-N 2.83Å; F1230-I1234 HydrophobicContact CD1-CD1 3.83Å; F1230-I1234 HydrophobicContact CE1-CD1 3.45Å; F1230-I1234 VanDerWaalsContact CE1-CD1 3.45Å; F1230-I1234 HydrophobicContact CE1-CG1 4.48Å; F1230-I1234 HydrophobicContact CZ-CD1 3.89Å; F1230-I1234 WeakPolarHBondContact O-CG1 3.06Å; F1230-I1234 PolarHBondContact O-N 2.73Å
1231I77.3Confident65.4Low85 Ų85109.9 Ų109.944%0.43655%0.545SS..Hα-helixtrans-63.2-43.7171.6-73.7173000111L1227 L1228 F1233 I1234 L1235L1227-I1231 HydrophobicContact CD2-CD1 3.6Å; L1227-I1231 HydrophobicContact CD2-CG1 4.31Å; L1227-I1231 WeakPolarHBondContact O-CB 3.46Å; L1227-I1231 WeakPolarHBondContact O-CG1 3.3Å; L1227-I1231 PolarHBondContact O-N 2.96Å; L1228-I1231 PolarHBondContact O-N 2.87Å; I1231-F1233 VanDerWaalsContact C-N 3.31Å; I1231-F1233 PolarHBondContact O-N 3.48Å; I1231-I1234 PolarHBondContact O-N 3.43Å; I1231-L1235 HydrophobicContact CG2-CD1 3.79Å; I1231-L1235 HydrophobicContact CG2-CG 4.37Å; I1231-L1235 WeakPolarHBondContact O-CB 3.37Å; I1231-L1235 VanDerWaalsContact O-CG 3.28Å; I1231-L1235 WeakPolarHBondContact O-CG 3.35Å; I1231-L1235 PolarHBondContact O-N 3.33Å
1232V74Confident64.1Low80 Ų80110.3 Ų110.349%0.48556%0.555SS.*Hα-helixtrans-62.3-39.5175.7168.60000111.1L1228 I1229 L1235 F1236L1228-V1232 HydrophobicContact CD2-CG2 4.1Å; L1228-V1232 WeakPolarHBondContact O-CB 3.49Å; L1228-V1232 WeakPolarHBondContact O-CG2 3.23Å; L1228-V1232 PolarHBondContact O-N 2.79Å; I1229-V1232 PolarHBondContact O-N 2.96Å; V1232-L1235 PolarHBondContact O-N 3.29Å; V1232-F1236 VanDerWaalsContact O-CB 3.3Å; V1232-F1236 WeakPolarHBondContact O-CB 3.41Å; V1232-F1236 PolarHBondContact O-N 2.94Å
1233F70.9Confident63Low131 Ų131117.7 Ų117.758%0.57557%0.572SS**Hα-helixtrans-64.6-47176.9-162.5-86.7000111.8I1229 F1230 I1231 L1235 F1236 E1237I1229-F1233 WeakPolarHBondContact O-CB 3.48Å; I1229-F1233 PolarHBondContact O-N 3.38Å; F1230-F1233 PolarHBondContact O-N 2.83Å; I1231-F1233 VanDerWaalsContact C-N 3.31Å; I1231-F1233 PolarHBondContact O-N 3.48Å; F1233-L1235 VanDerWaalsContact C-N 3.33Å; F1233-L1235 PolarHBondContact O-N 3.36Å; F1233-F1236 PolarHBondContact O-N 2.92Å; F1233-E1237 HydrophobicContact CD1-CG 4.19Å; F1233-E1237 HydrophobicContact CE1-CG 3.97Å; F1233-E1237 PolarHBondContact O-N 3.22Å
1234I68.9Low61.4Low82 Ų82117.3 Ų117.342%0.42158%0.584SS.*Hα-helixtrans-59.6-43.1174.1-73.6172.7000111.2F1230 I1231 F1236 S1238F1230-I1234 HydrophobicContact CD1-CD1 3.83Å; F1230-I1234 HydrophobicContact CE1-CD1 3.45Å; F1230-I1234 VanDerWaalsContact CE1-CD1 3.45Å; F1230-I1234 HydrophobicContact CE1-CG1 4.48Å; F1230-I1234 HydrophobicContact CZ-CD1 3.89Å; F1230-I1234 WeakPolarHBondContact O-CG1 3.06Å; F1230-I1234 PolarHBondContact O-N 2.73Å; I1231-I1234 PolarHBondContact O-N 3.43Å; I1234-F1236 VanDerWaalsContact C-N 3.35Å; I1234-S1238 VanDerWaalsContact O-CB 3.28Å; I1234-S1238 WeakPolarHBondContact O-CB 3.26Å; I1234-S1238 PolarHBondContact O-N 2.94Å; I1234-S1238 PolarHBondContact O-OG 2.92Å
1235L68Low59.4Low93 Ų93119.4 Ų119.449%0.48759%0.594SS.*Hα-helixtrans-67.7-33.9177.3-72.3171000112.3I1231 V1232 F1233 S1238 F1239I1231-L1235 HydrophobicContact CG2-CD1 3.79Å; I1231-L1235 HydrophobicContact CG2-CG 4.37Å; I1231-L1235 WeakPolarHBondContact O-CB 3.37Å; I1231-L1235 VanDerWaalsContact O-CG 3.28Å; I1231-L1235 WeakPolarHBondContact O-CG 3.35Å; I1231-L1235 PolarHBondContact O-N 3.33Å; V1232-L1235 PolarHBondContact O-N 3.29Å; F1233-L1235 VanDerWaalsContact C-N 3.33Å; F1233-L1235 PolarHBondContact O-N 3.36Å; L1235-S1238 PolarHBondContact O-N 2.99Å; L1235-F1239 WeakPolarHBondContact O-CB 3.23Å; L1235-F1239 WeakPolarHBondContact O-CD2 3.41Å; L1235-F1239 PolarHBondContact O-N 2.91Å; L1235-F1239 VanDerWaalsContact O-N 3.11Å
1236F63.6Low57.2Low131 Ų131118.4 Ų118.458%0.57560%0.602SS**Hα-helixtrans-70.3-46.2178.4-161.2-90.9000111.6V1232 F1233 I1234 S1238 F1239 F1240V1232-F1236 VanDerWaalsContact O-CB 3.3Å; V1232-F1236 WeakPolarHBondContact O-CB 3.41Å; V1232-F1236 PolarHBondContact O-N 2.94Å; F1233-F1236 PolarHBondContact O-N 2.92Å; I1234-F1236 VanDerWaalsContact C-N 3.35Å; F1236-S1238 VanDerWaalsContact C-N 3.3Å; F1236-S1238 PolarHBondContact O-N 2.91Å; F1236-F1239 PolarHBondContact O-N 3.22Å; F1236-F1239 VanDerWaalsContact O-N 3.16Å; F1236-F1240 HydrophobicContact CE1-CD2 4.28Å; F1236-F1240 HydrophobicContact CE2-CD2 4.42Å; F1236-F1240 HydrophobicContact CE2-CE2 4.26Å; F1236-F1240 HydrophobicContact CZ-CD2 4.22Å; F1236-F1240 HydrophobicContact CZ-CE2 4.27Å; F1236-F1240 PolarHBondContact O-N 3.21Å
1237E53.2Low55.1Low108 Ų108115.2 Ų115.251%0.50560%0.596SS.*Hα-helixtrans-54.7-46.4168.3-75.8-75129.600111F1233 F1239 F1240 G1241F1233-E1237 HydrophobicContact CD1-CG 4.19Å; F1233-E1237 HydrophobicContact CE1-CG 3.97Å; F1233-E1237 PolarHBondContact O-N 3.22Å; E1237-F1239 PolarHBondContact O-N 2.97Å; E1237-F1240 PolarHBondContact O-N 3.25Å; E1237-G1241 PolarHBondContact O-N 3.43Å; E1237-G1241 VanDerWaalsContact O-N 3.1Å
1238S54.8Low53Low82 Ų82121 Ų12157%0.57363%0.626SS**Hα-helixtrans-63.9-18.9179.4-58.30000114.5I1234 L1235 F1236I1234-S1238 VanDerWaalsContact O-CB 3.28Å; I1234-S1238 WeakPolarHBondContact O-CB 3.26Å; I1234-S1238 PolarHBondContact O-N 2.94Å; I1234-S1238 PolarHBondContact O-OG 2.92Å; L1235-S1238 PolarHBondContact O-N 2.99Å; F1236-S1238 VanDerWaalsContact C-N 3.3Å; F1236-S1238 PolarHBondContact O-N 2.91Å
1239F50Low51Low171 Ų171122.7 Ų122.775%0.7563%0.633SS**Hα-helixtrans-100.7-15.9-178-103.1-83.4000114.4L1235 F1236 E1237L1235-F1239 WeakPolarHBondContact O-CB 3.23Å; L1235-F1239 WeakPolarHBondContact O-CD2 3.41Å; L1235-F1239 PolarHBondContact O-N 2.91Å; L1235-F1239 VanDerWaalsContact O-N 3.11Å; F1236-F1239 PolarHBondContact O-N 3.22Å; F1236-F1239 VanDerWaalsContact O-N 3.16Å; E1237-F1239 PolarHBondContact O-N 2.97Å
1240F49.3Very low48.7Very low162 Ų162122.5 Ų122.571%0.71164%0.641SS**Hα-helixtrans-127.9-7.9-173.2-79.3-80.2000115.4F1236 E1237F1236-F1240 HydrophobicContact CE1-CD2 4.28Å; F1236-F1240 HydrophobicContact CE2-CD2 4.42Å; F1236-F1240 HydrophobicContact CE2-CE2 4.26Å; F1236-F1240 HydrophobicContact CZ-CD2 4.22Å; F1236-F1240 HydrophobicContact CZ-CE2 4.27Å; F1236-F1240 PolarHBondContact O-N 3.21Å; E1237-F1240 PolarHBondContact O-N 3.25Å
1241G34.7Very low46.7Very low47 Ų47124.3 Ų124.349%0.48566%0.655SS.*  trans-98.485.3-174.500000116.1E1237 R1243E1237-G1241 PolarHBondContact O-N 3.43Å; E1237-G1241 VanDerWaalsContact O-N 3.1Å; G1241-R1243 PolarHBondContact O-N 3.45Å
1242E36.2Very low44.4Very low202 Ų202124 Ų12494%0.94467%0.673SS**  trans-74.137.8161.2-70.1-166.4132.400112.5
1243R36.6Very low42.3Very low228 Ų228126.7 Ų126.786%0.8669%0.685SS**SBendtrans-136.6140178.2-72.9-172.4170.9-177.9-4.1110.7G1241 I1245G1241-R1243 PolarHBondContact O-N 3.45Å; R1243-I1245 PolarHBondContact O-N 2.96Å
1244S32.1Very low40.2Very low107 Ų107124.2 Ų124.275%0.74870%0.696SS**  trans-58.1124.1-16844.60000113.6A1246S1244-A1246 PolarHBondContact O-N 2.65Å
1245I28.2Very low38.4Very low158 Ų158125.5 Ų125.581%0.8171%0.711SS**  trans-72.476170.9-56.5175.1000109.1R1243R1243-I1245 PolarHBondContact O-N 2.96Å
1246A29Very low36.5Very low84 Ų84129.3 Ų129.369%0.69473%0.726SS**  trans-154.8116.1171.500000108.2S1244S1244-A1246 PolarHBondContact O-N 2.65Å
1247S29.7Very low35Very low70 Ų70127.3 Ų127.349%0.4973%0.728SS.*  cis-147.2119.86.7179.80000111.2M1249 S1250S1247-M1249 PolarHBondContact O-N 3.17Å; S1247-M1249 WeakPolarHBondContact OG-CA 3.33Å; S1247-M1249 WeakPolarHBondContact OG-CB 3.26Å; S1247-M1249 PolarHBondContact OG-N 3.43Å; S1247-S1250 PolarHBondContact O-OG 2.98Å; S1247-S1250 VanDerWaalsContact O-OG 3.12Å; S1247-S1250 PolarHBondContact OG-N 3.41Å
1248L31.9Very low33.9Very low190 Ų190129.7 Ų129.7100%0.99575%0.745SS**THydrogen-bonded Turntrans-78.43.2164.2-150.776.8000112
1249M32.4Very low32.8Very low145 Ų145127.5 Ų127.571%0.71474%0.735SS**THydrogen-bonded Turntrans-102.79.5175.3-65.7-175.8171.700112.9S1247 L1251S1247-M1249 PolarHBondContact O-N 3.17Å; S1247-M1249 WeakPolarHBondContact OG-CA 3.33Å; S1247-M1249 WeakPolarHBondContact OG-CB 3.26Å; S1247-M1249 PolarHBondContact OG-N 3.43Å; M1249-L1251 PolarHBondContact O-N 3.26Å
1250S28.1Very low32Very low99 Ų99123.5 Ų123.569%0.69273%0.727SS**  trans-78.642.9178.760.40000113.7S1247 G1252S1247-S1250 PolarHBondContact O-OG 2.98Å; S1247-S1250 VanDerWaalsContact O-OG 3.12Å; S1247-S1250 PolarHBondContact OG-N 3.41Å; S1250-G1252 PolarHBondContact O-N 3.35Å
1251L32.1Very low31.1Very low156 Ų156119.8 Ų119.882%0.81772%0.717SS**  trans-74.592.3169.8-145.379.4000108.7M1249 N1253M1249-L1251 PolarHBondContact O-N 3.26Å; L1251-N1253 PolarHBondContact O-N 3.34Å
1252G28.3Very low31.2Very low78 Ų78120.2 Ų120.280%0.80471%0.71SS**  trans-75.477.3-166.100000115.3S1250S1250-G1252 PolarHBondContact O-N 3.35Å
1253N30.4Very low31Very low136 Ų136112.8 Ų112.873%0.72768%0.675SS**  trans-78.8118.2168.5-790.5000111.1L1251 C1255L1251-N1253 PolarHBondContact O-N 3.34Å; N1253-C1255 VanDerWaalsContact C-N 3.3Å; N1253-C1255 PolarHBondContact O-N 3.12Å
1254G27Very low31Very low80 Ų80108.7 Ų108.783%0.82567%0.67SS**  trans-81.855.2-175.600000115H1256G1254-H1256 PolarHBondContact O-N 2.91Å; G1254-H1256 VanDerWaalsContact O-N 3.15Å
1255C30.2Very low31.3Very low108 Ų108105 Ų10573%0.7364%0.644SS**  trans-83.784.3178.6-63.80000111.9N1253N1253-C1255 VanDerWaalsContact C-N 3.3Å; N1253-C1255 PolarHBondContact O-N 3.12Å
1256H29.7Very low31.7Very low173 Ų173104.2 Ų104.280%0.80165%0.647SS**  trans-121.197.2165.2-76.4-40.6000109.9G1254G1254-H1256 PolarHBondContact O-N 2.91Å; G1254-H1256 VanDerWaalsContact O-N 3.15Å
1257S30.9Very low32Very low89 Ų89104.4 Ų104.462%0.62264%0.636SS**  trans-150.5119.9173.256.70000108.4G1259S1257-G1259 PolarHBondContact O-N 2.96Å
1258D30.2Very low32.4Very low158 Ų158108.9 Ų108.985%0.84565%0.649SS**  trans-77.240.8-173.6-61-64.7000114.1
1259G31.2Very low32.5Very low37 Ų37105.2 Ų105.238%0.38163%0.63SS.*SBendtrans-96.4162.9168.800000112.1S1257 V1261S1257-G1259 PolarHBondContact O-N 2.96Å; G1259-V1261 PolarHBondContact O-N 3.09Å; G1259-V1261 VanDerWaalsContact O-N 3.13Å
1260P32.9Very low32.9Very low87 Ų87101.2 Ų101.257%0.56561%0.613SS**  trans-65.4112.2175.227.2-33.7000110.7V1262P1260-V1262 PolarHBondContact O-N 3.25Å
1261V31.3Very low33.2Very low84 Ų8499.1 Ų99.151%0.50959%0.592SS.*  trans-80.6101.7177.5-179.30000109.3G1259G1259-V1261 PolarHBondContact O-N 3.09Å; G1259-V1261 VanDerWaalsContact O-N 3.13Å
1262V37.2Very low33.4Very low56 Ų5699.3 Ų99.334%0.33958%0.583SS.*  trans-92.2103.1176.7-177.30000109.8M949 P1260 L1264M949-V1262 HydrophobicContact CE-CB 4.29Å; M949-V1262 HydrophobicContact CE-CG2 4.05Å; P1260-V1262 PolarHBondContact O-N 3.25Å; V1262-L1264 HydrophobicContact CG1-CD2 4.22Å; V1262-L1264 HydrophobicContact CG1-CG 4.24Å; V1262-L1264 PolarHBondContact O-N 2.66Å
1263E32.7Very low33.8Very low46 Ų46101 Ų10122%0.21557%0.568CS.*  trans-8491.7178.6-165.6-161.1151.200111.4S1265 V1270 K1271 T1274E1263-S1265 PolarHBondContact O-N 2.78Å; E1263-S1265 WeakPolarHBondContact OE1-CB 3.32Å; E1263-V1270 VanDerWaalsContact OE1-CG1 3.3Å; E1263-V1270 WeakPolarHBondContact OE1-CG1 3.34Å; E1263-K1271 PolarHBondContact OE1-N 3.13Å; E1263-T1274 VanDerWaalsContact OE2-CB 3.31Å; E1263-T1274 WeakPolarHBondContact OE2-CB 3.43Å; E1263-T1274 VanDerWaalsContact OE2-CG2 3.3Å; E1263-T1274 WeakPolarHBondContact OE2-CG2 3.32Å; E1263-T1274 PolarHBondContact OE2-OG1 3.11Å
1264L36.3Very low34.1Very low141 Ų14196.1 Ų96.174%0.73854%0.544SS*.  trans-69.125.9176.8-67.5169000114.5V1262 T1266V1262-L1264 HydrophobicContact CG1-CD2 4.22Å; V1262-L1264 HydrophobicContact CG1-CG 4.24Å; V1262-L1264 PolarHBondContact O-N 2.66Å; L1264-T1266 PolarHBondContact O-N 3.02Å
1265S36.9Very low34.4Very low29 Ų2996.2 Ų96.220%0.20353%0.53CS..  trans-78.7119.7178.6-178.20000111.6E1263 N1267 K1271E1263-S1265 PolarHBondContact O-N 2.78Å; E1263-S1265 WeakPolarHBondContact OE1-CB 3.32Å; S1265-N1267 PolarHBondContact O-N 3.28Å; S1265-N1267 PolarHBondContact OG-N 3.48Å; S1265-N1267 PolarHBondContact OG-O 2.93Å; S1265-K1271 VanDerWaalsContact O-CE 3.25Å; S1265-K1271 WeakPolarHBondContact O-CE 3.47Å
1266T37Very low34.6Very low143 Ų14398.7 Ų98.788%0.87753%0.529SS*.  trans-76.9-3.6167.453.10000112.9L1264L1264-T1266 PolarHBondContact O-N 3.02Å
1267N36.4Very low35.2Very low87 Ų8796.9 Ų96.947%0.46552%0.521SS..  trans-98.2106.4-175.2-174.2-9.6000111.4S1265 L1269 V1270 K1271S1265-N1267 PolarHBondContact O-N 3.28Å; S1265-N1267 PolarHBondContact OG-N 3.48Å; S1265-N1267 PolarHBondContact OG-O 2.93Å; N1267-L1269 PolarHBondContact O-N 3.41Å; N1267-L1269 VanDerWaalsContact O-N 3.08Å; N1267-L1269 PolarHBondContact OD1-N 2.78Å; N1267-L1269 VanDerWaalsContact OD1-N 3.14Å; N1267-V1270 HydrophobicContact CB-CG2 3.96Å; N1267-V1270 PolarHBondContact O-N 3.32Å; N1267-K1271 PolarHBondContact O-N 3.11Å
1268H37.4Very low35.5Very low165 Ų16597.7 Ų97.776%0.76452%0.518SS*.Hα-helixtrans-52.5-30.1179.4-71.9-77.5000114.6Y1272H1268-Y1272 WeakPolarHBondContact O-CB 3.49Å; H1268-Y1272 PolarHBondContact O-N 3.25Å
1269L34.4Very low35.6Very low112 Ų11295.4 Ų95.459%0.58651%0.511SS*.Hα-helixtrans-67.8-36.8176.9-98.6163.6000112.1N1267 Y1272 F1273N1267-L1269 PolarHBondContact O-N 3.41Å; N1267-L1269 VanDerWaalsContact O-N 3.08Å; N1267-L1269 PolarHBondContact OD1-N 2.78Å; N1267-L1269 VanDerWaalsContact OD1-N 3.14Å; L1269-Y1272 PolarHBondContact O-N 3.19Å; L1269-F1273 HydrophobicContact CD2-CE2 4.02Å; L1269-F1273 WeakPolarHBondContact O-CD2 3.38Å; L1269-F1273 PolarHBondContact O-N 2.76Å; L1269-F1273 VanDerWaalsContact O-N 3.12Å
1270V39.8Very low35.7Very low62 Ų62101.4 Ų101.438%0.37654%0.535SS..Hα-helixtrans-70.2-47.2178.1-169.30000109.6E1263 N1267 Y1272 F1273 T1274E1263-V1270 VanDerWaalsContact OE1-CG1 3.3Å; E1263-V1270 WeakPolarHBondContact OE1-CG1 3.34Å; N1267-V1270 HydrophobicContact CB-CG2 3.96Å; N1267-V1270 PolarHBondContact O-N 3.32Å; V1270-Y1272 PolarHBondContact O-N 2.96Å; V1270-Y1272 VanDerWaalsContact O-N 3.15Å; V1270-F1273 PolarHBondContact O-N 2.9Å; V1270-T1274 HydrophobicContact CG1-CG2 4.42Å; V1270-T1274 PolarHBondContact O-N 3.19Å; V1270-T1274 PolarHBondContact O-OG1 2.99Å
1271K35.5Very low35.8Very low55 Ų55100.4 Ų100.424%0.23953%0.53CS..Hα-helixtrans-54.9-32171.7-73.6-164.4166.6-1680113E1263 S1265 N1267 T1274 C1275 W1286E1263-K1271 PolarHBondContact OE1-N 3.13Å; S1265-K1271 VanDerWaalsContact O-CE 3.25Å; S1265-K1271 WeakPolarHBondContact O-CE 3.47Å; N1267-K1271 PolarHBondContact O-N 3.11Å; K1271-T1274 WeakPolarHBondContact CA-OG1 3.4Å; K1271-T1274 PolarHBondContact O-OG1 3.12Å; K1271-C1275 PolarHBondContact O-N 2.75Å; K1271-C1275 PolarHBondContact O-SG 2.98Å; K1271-W1286 HydrophobicContact CD-CZ3 4.16Å
1272Y36Very low36.2Very low159 Ų159104.5 Ų104.562%0.62455%0.549SS*.Hα-helixtrans-72.7-38.8175.4-150.3-94.3000112.2H1268 L1269 V1270 F1276H1268-Y1272 WeakPolarHBondContact O-CB 3.49Å; H1268-Y1272 PolarHBondContact O-N 3.25Å; L1269-Y1272 PolarHBondContact O-N 3.19Å; V1270-Y1272 PolarHBondContact O-N 2.96Å; V1270-Y1272 VanDerWaalsContact O-N 3.15Å; Y1272-F1276 HydrophobicContact CD1-CD2 4.42Å; Y1272-F1276 HydrophobicContact CD1-CE2 4.19Å; Y1272-F1276 HydrophobicContact CE1-CD2 4.46Å; Y1272-F1276 AromaticContact CE1-CE2 3.79Å; Y1272-F1276 HydrophobicContact CE1-CE2 3.79Å; Y1272-F1276 WeakPolarHBondContact O-CD2 3.49Å
1273F35.8Very low36.1Very low113 Ų113106.6 Ų106.650%0.49656%0.559SS.*Hα-helixtrans-74.6-37.4177.8-77.9-63.8000113.4L1269 V1270 C1275 F1276 Q1277L1269-F1273 HydrophobicContact CD2-CE2 4.02Å; L1269-F1273 WeakPolarHBondContact O-CD2 3.38Å; L1269-F1273 PolarHBondContact O-N 2.76Å; L1269-F1273 VanDerWaalsContact O-N 3.12Å; V1270-F1273 PolarHBondContact O-N 2.9Å; F1273-C1275 VanDerWaalsContact C-N 3.34Å; F1273-C1275 PolarHBondContact O-N 2.88Å; F1273-F1276 PolarHBondContact O-N 2.83Å; F1273-Q1277 PolarHBondContact O-N 3.45Å
1274T37.6Very low36.2Very low35 Ų35107.2 Ų107.222%0.21557%0.565CS.*Hα-helixtrans-65.2-36.9177.150.30000111.9E1263 V1270 K1271 F1276 Q1277 L1278E1263-T1274 VanDerWaalsContact OE2-CB 3.31Å; E1263-T1274 WeakPolarHBondContact OE2-CB 3.43Å; E1263-T1274 VanDerWaalsContact OE2-CG2 3.3Å; E1263-T1274 WeakPolarHBondContact OE2-CG2 3.32Å; E1263-T1274 PolarHBondContact OE2-OG1 3.11Å; V1270-T1274 HydrophobicContact CG1-CG2 4.42Å; V1270-T1274 PolarHBondContact O-N 3.19Å; V1270-T1274 PolarHBondContact O-OG1 2.99Å; K1271-T1274 WeakPolarHBondContact CA-OG1 3.4Å; K1271-T1274 PolarHBondContact O-OG1 3.12Å; T1274-F1276 PolarHBondContact O-N 3.43Å; T1274-F1276 VanDerWaalsContact O-N 3.16Å; T1274-Q1277 PolarHBondContact O-N 3.48Å; T1274-L1278 PolarHBondContact O-N 2.99Å
1275C33Very low36Very low81 Ų81106.4 Ų106.455%0.54756%0.56SS.*Hα-helixtrans-55.2-26.7168.7-79.90000114.5K1271 F1273K1271-C1275 PolarHBondContact O-N 2.75Å; K1271-C1275 PolarHBondContact O-SG 2.98Å; F1273-C1275 VanDerWaalsContact C-N 3.34Å; F1273-C1275 PolarHBondContact O-N 2.88Å
1276F35.3Very low35.7Very low160 Ų160114.5 Ų114.570%0.70259%0.586SS**Hα-helixtrans-92.7-10.9176.6-86.1-80.2000114Y1272 F1273 T1274Y1272-F1276 HydrophobicContact CD1-CD2 4.42Å; Y1272-F1276 HydrophobicContact CD1-CE2 4.19Å; Y1272-F1276 HydrophobicContact CE1-CD2 4.46Å; Y1272-F1276 AromaticContact CE1-CE2 3.79Å; Y1272-F1276 HydrophobicContact CE1-CE2 3.79Å; Y1272-F1276 WeakPolarHBondContact O-CD2 3.49Å; F1273-F1276 PolarHBondContact O-N 2.83Å; T1274-F1276 PolarHBondContact O-N 3.43Å; T1274-F1276 VanDerWaalsContact O-N 3.16Å
1277Q40.7Very low35.7Very low136 Ų136113.1 Ų113.164%0.63657%0.572SS**Hα-helixtrans-102.4-13.4-174.9-74-174.3-3600114.8F1273 T1274 P1279F1273-Q1277 PolarHBondContact O-N 3.45Å; T1274-Q1277 PolarHBondContact O-N 3.48Å; Q1277-P1279 VanDerWaalsContact C-CD 3.49Å; Q1277-P1279 WeakPolarHBondContact O-CD 3.41Å
1278L38.2Very low35.6Very low106 Ų106114.4 Ų114.456%0.55558%0.578SS**  trans-115.679.3-175.8-70.7171.7000113.3T1274T1274-L1278 PolarHBondContact O-N 2.99Å
1279P31.7Very low35.5Very low109 Ų109111.6 Ų111.671%0.70857%0.567SS**  trans-72.1126.4165.130.6-31.8000110.2Q1277Q1277-P1279 VanDerWaalsContact C-CD 3.49Å; Q1277-P1279 WeakPolarHBondContact O-CD 3.41Å
1280N33.8Very low35.6Very low163 Ų163111.6 Ų111.687%0.87257%0.566SS**SBendtrans69.181.4174.8-52.3-22.9000117.1
1281S35.7Very low35.4Very low67 Ų67114.7 Ų114.747%0.46958%0.578SS.*  trans-148.5139135.179.20000110.8N1283S1281-N1283 PolarHBondContact O-N 3.42Å
1282N38.4Very low35.4Very low169 Ų169118.7 Ų118.790%0.90460%0.601SS**SBendtrans-86.313.1176.6-70.2-19.5000112.4
1283N36.7Very low35.3Very low101 Ų101115.8 Ų115.854%0.5460%0.599SS.*  trans-11216.3-166.6-65.7-2.4000113.2S1281 I1285S1281-N1283 PolarHBondContact O-N 3.42Å; N1283-I1285 PolarHBondContact O-N 2.96Å
1284V33.3Very low35.3Very low58 Ų58116 Ų11635%0.35261%0.607SS.*  trans-79.4109.7174.4-178.30000109.4W1286V1284-W1286 HydrophobicContact CG1-CD2 4.34Å; V1284-W1286 HydrophobicContact CG1-CZ2 4.34Å
1285I32.3Very low35.1Very low125 Ų125122.8 Ų122.864%0.64164%0.639SS**  trans-94.7130.1166.5-57.7176.4000107.2N1283N1283-I1285 PolarHBondContact O-N 2.96Å
1286W31.8Very low35.3Very low198 Ų198126.5 Ų126.575%0.7565%0.648SS**  trans-91.40-169.9-78.1103.3000115.1K1271 V1284K1271-W1286 HydrophobicContact CD-CZ3 4.16Å; V1284-W1286 HydrophobicContact CG1-CD2 4.34Å; V1284-W1286 HydrophobicContact CG1-CZ2 4.34Å

Retrieved 1,286 of 1,286 residues in 600.9 ms (Link to these results)

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