A0A077Z537_TRITR Loading...

UPF0126 domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z537, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 205 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
1M83.5Confident95Very high196 Ų19657.4 Ų57.497%0.96629%0.289SS*.  0-42.60-66.8-16080.200112.7L3 H4 I5M1-L3 PolarHBondContact O-N 3.22Å; M1-H4 WeakPolarHBondContact O-CB 3.03Å; M1-H4 PolarHBondContact O-N 3.01Å; M1-I5 PolarHBondContact O-N 2.81Å
2L94Very high95.2Very high40 Ų4056.6 Ų56.621%0.20929%0.289CS..Hα-helixtrans-52.1-49.4-179-179.759.9000113.9H4 I5 L6 D171 I174 I175L2-H4 PolarHBondContact O-N 3.4Å; L2-I5 PolarHBondContact O-N 2.89Å; L2-I5 VanDerWaalsContact O-N 3.13Å; L2-L6 HydrophobicContact CD1-CD1 4.38Å; L2-L6 HydrophobicContact CD1-CG 4.22Å; L2-L6 HydrophobicContact CG-CD1 4.2Å; L2-L6 HydrophobicContact CG-CG 4.43Å; L2-L6 WeakPolarHBondContact O-CG 3.41Å; L2-L6 PolarHBondContact O-N 3.12Å; L2-D171 HydrophobicContact CD2-CB 3.92Å; L2-D171 WeakPolarHBondContact CD2-OD1 3.18Å; L2-I174 HydrophobicContact CD2-CB 3.97Å; L2-I174 HydrophobicContact CD2-CD1 4.02Å; L2-I174 HydrophobicContact CD2-CG2 3.79Å; L2-I174 HydrophobicContact CG-CD1 4.46Å; L2-I174 HydrophobicContact CG-CG2 4.25Å; L2-I175 HydrophobicContact CD2-CD1 4.35Å; L2-I175 HydrophobicContact CD2-CG1 4.08Å
3L93.3Very high95.3Very high39 Ų3952.5 Ų52.520%0.20427%0.27CS..Hα-helixtrans-59.4-33.5178.3-71.3178.7000113.7M1 Y7 I102 I103 Q106 I174M1-L3 PolarHBondContact O-N 3.22Å; L3-Y7 VanDerWaalsContact O-CB 3.29Å; L3-Y7 WeakPolarHBondContact O-CB 3.43Å; L3-Y7 PolarHBondContact O-N 3.26Å; L3-I102 HydrophobicContact CD2-CG2 3.81Å; L3-I103 HydrophobicContact CD2-CG1 4.26Å; L3-Q106 HydrophobicContact CD1-CB 4.32Å; L3-Q106 HydrophobicContact CD1-CG 3.82Å; L3-I174 HydrophobicContact CD1-CD1 4.26Å; L3-I174 HydrophobicContact CD2-CD1 3.56Å; L3-I174 HydrophobicContact CD2-CG1 3.95Å; L3-I174 HydrophobicContact CD2-CG2 4.26Å; L3-I174 HydrophobicContact CG-CD1 3.61Å
4H94Very high95.5Very high90 Ų9049 Ų4942%0.41725%0.252SS..Hα-helixtrans-69.3-43.1176.6178.670.6000111M1 L2 L6 Y7 L8 Y64M1-H4 WeakPolarHBondContact O-CB 3.03Å; M1-H4 PolarHBondContact O-N 3.01Å; L2-H4 PolarHBondContact O-N 3.4Å; H4-L6 VanDerWaalsContact C-N 3.34Å; H4-L6 PolarHBondContact O-N 3.46Å; H4-Y7 WeakPolarHBondContact O-CB 3.22Å; H4-Y7 PolarHBondContact O-N 3.3Å; H4-L8 WeakPolarHBondContact O-CG 3.4Å; H4-L8 PolarHBondContact O-N 3.37Å; H4-Y64 PolarHBondContact CE1-OH 3.01Å; H4-Y64 VanDerWaalsContact CE1-OH 3.25Å; H4-Y64 PolarHBondContact ND1-OH 3.23Å
5I96.7Very high95.7Very high95 Ų9545.7 Ų45.749%0.48724%0.235SC..Hα-helixtrans-60.7-46.7174.1-62.9170.9000110.1M1 L2 Y7 L8 V9M1-I5 PolarHBondContact O-N 2.81Å; L2-I5 PolarHBondContact O-N 2.89Å; L2-I5 VanDerWaalsContact O-N 3.13Å; I5-Y7 VanDerWaalsContact C-N 3.31Å; I5-Y7 PolarHBondContact O-N 2.81Å; I5-L8 PolarHBondContact O-N 3.25Å; I5-V9 WeakPolarHBondContact O-CG2 3.43Å; I5-V9 PolarHBondContact O-N 3.41Å
6L96.3Very high95.7Very high20 Ų2045.9 Ų45.911%0.10524%0.235CC..Hα-helixtrans-61.7-39.9176.5-68.8-178.9000111.5L2 H4 L8 V9 G10 V99 I174 L178L2-L6 HydrophobicContact CD1-CD1 4.38Å; L2-L6 HydrophobicContact CD1-CG 4.22Å; L2-L6 HydrophobicContact CG-CD1 4.2Å; L2-L6 HydrophobicContact CG-CG 4.43Å; L2-L6 WeakPolarHBondContact O-CG 3.41Å; L2-L6 PolarHBondContact O-N 3.12Å; H4-L6 VanDerWaalsContact C-N 3.34Å; H4-L6 PolarHBondContact O-N 3.46Å; L6-L8 PolarHBondContact O-N 3.22Å; L6-V9 PolarHBondContact O-N 2.8Å; L6-G10 PolarHBondContact O-N 2.91Å; L6-V99 HydrophobicContact CB-CG1 3.94Å; L6-V99 HydrophobicContact CB-CG2 4.34Å; L6-V99 HydrophobicContact CD2-CG2 4.38Å; L6-V99 WeakPolarHBondContact O-CG1 3.44Å; L6-I174 HydrophobicContact CD1-CG2 3.38Å; L6-L178 HydrophobicContact CD1-CD2 4.3Å; L6-L178 HydrophobicContact CD2-CD2 3.86Å
7Y97.3Very high95.6Very high38 Ų3843.2 Ų43.215%0.14922%0.221CC..Hα-helixtrans-57.8-47.5174.8-177.4-93.3000111.4L3 H4 I5 V9 G10 I11 Y64 F100 I103L3-Y7 VanDerWaalsContact O-CB 3.29Å; L3-Y7 WeakPolarHBondContact O-CB 3.43Å; L3-Y7 PolarHBondContact O-N 3.26Å; H4-Y7 WeakPolarHBondContact O-CB 3.22Å; H4-Y7 PolarHBondContact O-N 3.3Å; I5-Y7 VanDerWaalsContact C-N 3.31Å; I5-Y7 PolarHBondContact O-N 2.81Å; Y7-V9 VanDerWaalsContact C-N 3.34Å; Y7-V9 PolarHBondContact O-N 3.14Å; Y7-G10 PolarHBondContact O-N 3.19Å; Y7-I11 HydrophobicContact CD1-CD1 4.39Å; Y7-I11 HydrophobicContact CD1-CG2 4.16Å; Y7-I11 HydrophobicContact CD2-CG2 4.5Å; Y7-I11 HydrophobicContact CE1-CD1 4.03Å; Y7-I11 HydrophobicContact CE1-CG2 3.66Å; Y7-I11 HydrophobicContact CE2-CG2 4.06Å; Y7-I11 WeakPolarHBondContact O-CG1 3.34Å; Y7-I11 PolarHBondContact O-N 3.34Å; Y7-Y64 HydrophobicContact CD1-CD2 4.44Å; Y7-Y64 HydrophobicContact CD1-CE1 4.27Å; Y7-Y64 HydrophobicContact CD1-CE2 4.05Å; Y7-Y64 AromaticContact CD1-CZ 3.97Å; Y7-Y64 HydrophobicContact CE1-CD1 4.11Å; Y7-Y64 AromaticContact CE1-CD2 3.4Å; Y7-Y64 HydrophobicContact CE1-CD2 3.4Å; Y7-Y64 VanDerWaalsContact CE1-CD2 3.4Å; Y7-Y64 HydrophobicContact CE1-CE1 4.06Å; Y7-Y64 AromaticContact CE1-CE2 3.33Å; Y7-Y64 HydrophobicContact CE1-CE2 3.33Å; Y7-Y64 AromaticContact CE1-CG 3.81Å; Y7-Y64 HydrophobicContact CE1-CG 3.81Å; Y7-Y64 AromaticContact CE1-CZ 3.69Å; Y7-Y64 AromaticContact CZ-CD2 3.94Å; Y7-Y64 AromaticContact CZ-CE2 3.98Å; Y7-F100 AromaticContact CD2-CE1 3.97Å; Y7-F100 HydrophobicContact CD2-CE1 3.97Å; Y7-F100 HydrophobicContact CE2-CE1 4.01Å; Y7-I103 HydrophobicContact CD2-CD1 3.87Å; Y7-I103 HydrophobicContact CG-CD1 4.34Å
8L97.8Very high95.7Very high51 Ų5140.8 Ų40.827%0.26721%0.209SC..Hα-helixtrans-61-41.8176.9-65.9-179.8000112.3H4 I5 L6 I11 T12 Y64 I67H4-L8 WeakPolarHBondContact O-CG 3.4Å; H4-L8 PolarHBondContact O-N 3.37Å; I5-L8 PolarHBondContact O-N 3.25Å; L6-L8 PolarHBondContact O-N 3.22Å; L8-I11 HydrophobicContact CD2-CD1 4.14Å; L8-I11 WeakPolarHBondContact O-CG1 3.16Å; L8-T12 WeakPolarHBondContact O-CB 3.09Å; L8-T12 PolarHBondContact O-N 3.04Å; L8-T12 VanDerWaalsContact O-N 3.15Å; L8-T12 PolarHBondContact O-OG1 2.85Å; L8-Y64 HydrophobicContact CD2-CD1 3.94Å; L8-Y64 HydrophobicContact CD2-CE1 3.69Å; L8-I67 HydrophobicContact CD2-CD1 3.86Å
9V96.9Very high95.7Very high62 Ų6238.8 Ų38.838%0.37620%0.199SC..Hα-helixtrans-63.6-43.9174.3171.30000110.8I5 L6 Y7 T12 A13 L95I5-V9 WeakPolarHBondContact O-CG2 3.43Å; I5-V9 PolarHBondContact O-N 3.41Å; L6-V9 PolarHBondContact O-N 2.8Å; Y7-V9 VanDerWaalsContact C-N 3.34Å; Y7-V9 PolarHBondContact O-N 3.14Å; V9-T12 PolarHBondContact O-N 3.19Å; V9-A13 VanDerWaalsContact O-CB 3.3Å; V9-A13 WeakPolarHBondContact O-CB 3.32Å; V9-A13 PolarHBondContact O-N 3.35Å; V9-L95 HydrophobicContact CG1-CD2 3.73Å
10G97.5Very high95.6Very high0 Ų037.6 Ų37.60%019%0.193CC..Hα-helixtrans-63.6-49.8-179.100000112.4L6 Y7 T12 A13 E14L6-G10 PolarHBondContact O-N 2.91Å; Y7-G10 PolarHBondContact O-N 3.19Å; G10-T12 VanDerWaalsContact C-N 3.26Å; G10-T12 PolarHBondContact O-N 3.45Å; G10-A13 PolarHBondContact O-N 3.29Å; G10-E14 PolarHBondContact O-N 3.15Å
11I98.1Very high95.5Very high0 Ų035.8 Ų35.80%018%0.183CC..Hα-helixtrans-64.3-35.6178.565176.6000111Y7 L8 A15 A40 I41 Y64 I67 V68 F100Y7-I11 HydrophobicContact CD1-CD1 4.39Å; Y7-I11 HydrophobicContact CD1-CG2 4.16Å; Y7-I11 HydrophobicContact CD2-CG2 4.5Å; Y7-I11 HydrophobicContact CE1-CD1 4.03Å; Y7-I11 HydrophobicContact CE1-CG2 3.66Å; Y7-I11 HydrophobicContact CE2-CG2 4.06Å; Y7-I11 WeakPolarHBondContact O-CG1 3.34Å; Y7-I11 PolarHBondContact O-N 3.34Å; L8-I11 HydrophobicContact CD2-CD1 4.14Å; L8-I11 WeakPolarHBondContact O-CG1 3.16Å; I11-A15 WeakPolarHBondContact O-CB 3.28Å; I11-A15 PolarHBondContact O-N 3.3Å; I11-A40 HydrophobicContact CB-CB 4.22Å; I11-A40 VanDerWaalsContact O-CB 3.29Å; I11-A40 WeakPolarHBondContact O-CB 3.47Å; I11-I41 HydrophobicContact CG2-CG2 4.13Å; I11-Y64 HydrophobicContact CD1-CD1 4.08Å; I11-Y64 HydrophobicContact CD1-CG 4.15Å; I11-I67 HydrophobicContact CD1-CB 4.42Å; I11-I67 HydrophobicContact CD1-CG2 4.14Å; I11-I67 HydrophobicContact CG1-CG2 4.42Å; I11-V68 HydrophobicContact CB-CG2 3.99Å; I11-V68 HydrophobicContact CD1-CG2 4.38Å; I11-V68 HydrophobicContact CG1-CG2 4.37Å; I11-F100 HydrophobicContact CB-CZ 4.46Å; I11-F100 HydrophobicContact CG2-CE1 4.12Å; I11-F100 HydrophobicContact CG2-CZ 3.73Å
12T97.8Very high96Very high48 Ų4826.4 Ų26.429%0.29414%0.137SC..Hα-helixtrans-67.4-49.9177-57.80000110.1L8 V9 G10 E14 A15 M16 A71L8-T12 WeakPolarHBondContact O-CB 3.09Å; L8-T12 PolarHBondContact O-N 3.04Å; L8-T12 VanDerWaalsContact O-N 3.15Å; L8-T12 PolarHBondContact O-OG1 2.85Å; V9-T12 PolarHBondContact O-N 3.19Å; G10-T12 VanDerWaalsContact C-N 3.26Å; G10-T12 PolarHBondContact O-N 3.45Å; T12-E14 PolarHBondContact O-N 2.65Å; T12-A15 WeakPolarHBondContact O-CB 3.48Å; T12-A15 PolarHBondContact O-N 2.92Å; T12-M16 VanDerWaalsContact O-CG 3.27Å; T12-M16 WeakPolarHBondContact O-CG 3.45Å; T12-M16 PolarHBondContact O-N 3.37Å; T12-A71 HydrophobicContact CG2-CB 4.02Å
13A96.6Very high95.8Very high4 Ų426.5 Ų26.53%0.03315%0.148CC..Hα-helixtrans-58.2-47.6178.700000111.8V9 G10 M16 T17 L92V9-A13 VanDerWaalsContact O-CB 3.3Å; V9-A13 WeakPolarHBondContact O-CB 3.32Å; V9-A13 PolarHBondContact O-N 3.35Å; G10-A13 PolarHBondContact O-N 3.29Å; A13-M16 WeakPolarHBondContact O-CB 3.44Å; A13-M16 PolarHBondContact O-N 2.86Å; A13-T17 WeakPolarHBondContact O-CG2 3.46Å; A13-T17 PolarHBondContact O-N 3.18Å; A13-L92 HydrophobicContact CB-CB 4.16Å; A13-L92 HydrophobicContact CB-CD2 3.97Å
14E97.3Very high95.6Very high3 Ų330 Ų301%0.01416%0.158CC..Hα-helixtrans-71.8-29.7178.7-74.2-56.8164.500113.6G10 T12 M16 T17 G18 T39 A40 F100 R133G10-E14 PolarHBondContact O-N 3.15Å; T12-E14 PolarHBondContact O-N 2.65Å; E14-M16 VanDerWaalsContact C-N 3.27Å; E14-M16 PolarHBondContact O-N 3.18Å; E14-T17 PolarHBondContact O-N 2.72Å; E14-T17 PolarHBondContact O-OG1 3.49Å; E14-T17 PolarHBondContact OE2-OG1 3.12Å; E14-G18 PolarHBondContact O-N 2.88Å; E14-T39 HydrophobicContact CB-CG2 4.17Å; E14-T39 WeakPolarHBondContact O-CG2 3.44Å; E14-T39 WeakPolarHBondContact OE2-CG2 3.3Å; E14-A40 HydrophobicContact CB-CB 4.12Å; E14-F100 HydrophobicContact CB-CE2 4.23Å; E14-F100 HydrophobicContact CG-CD2 4.09Å; E14-F100 HydrophobicContact CG-CE2 3.57Å; E14-R133 IonicContact OE2-NH1 3.74Å
15A98.3Very high95.5Very high0 Ų031.5 Ų31.50%016%0.16CC..Hα-helixtrans-60.5-42.4170.300000110.6I11 T12 G18 A19 A36 A40 V68 A71I11-A15 WeakPolarHBondContact O-CB 3.28Å; I11-A15 PolarHBondContact O-N 3.3Å; T12-A15 WeakPolarHBondContact O-CB 3.48Å; T12-A15 PolarHBondContact O-N 2.92Å; A15-G18 PolarHBondContact O-N 3.46Å; A15-A19 VanDerWaalsContact O-CB 3.28Å; A15-A19 WeakPolarHBondContact O-CB 3.24Å; A15-A19 PolarHBondContact O-N 3.38Å; A15-A36 HydrophobicContact CB-CB 4.24Å; A15-A36 WeakPolarHBondContact O-CB 3.33Å; A15-A40 HydrophobicContact CB-CB 4.21Å; A15-V68 HydrophobicContact CB-CB 4.21Å; A15-V68 HydrophobicContact CB-CG1 3.7Å; A15-V68 HydrophobicContact CB-CG2 4.28Å; A15-A71 HydrophobicContact CB-CB 3.86Å
16M96Very high95.2Very high49 Ų4938.4 Ų38.424%0.24118%0.18CC..Hα-helixtrans-64-42.8175.2-59174.872.500111.4T12 A13 E14 G18 A19 L20 T75 L92T12-M16 VanDerWaalsContact O-CG 3.27Å; T12-M16 WeakPolarHBondContact O-CG 3.45Å; T12-M16 PolarHBondContact O-N 3.37Å; A13-M16 WeakPolarHBondContact O-CB 3.44Å; A13-M16 PolarHBondContact O-N 2.86Å; E14-M16 VanDerWaalsContact C-N 3.27Å; E14-M16 PolarHBondContact O-N 3.18Å; M16-G18 PolarHBondContact O-N 3.37Å; M16-A19 PolarHBondContact O-N 3.34Å; M16-L20 WeakPolarHBondContact O-CB 3.28Å; M16-L20 VanDerWaalsContact O-CG 3.26Å; M16-L20 WeakPolarHBondContact O-CG 3.4Å; M16-L20 PolarHBondContact O-N 2.99Å; M16-T75 HydrophobicContact CB-CG2 4.33Å; M16-T75 VanDerWaalsContact CG-OG1 3.28Å; M16-T75 WeakPolarHBondContact CG-OG1 3.41Å; M16-L92 HydrophobicContact CB-CD1 3.83Å; M16-L92 HydrophobicContact CE-CD1 3.8Å; M16-L92 HydrophobicContact CG-CD1 4.39Å; M16-L92 HydrophobicContact SD-CD1 3.71Å; M16-L92 HydrophobicContact SD-CD2 4.49Å
17T94.8Very high95.1Very high0 Ų041 Ų410%019%0.193CC..Hα-helixtrans-63.2-43.8178.473.60000111.2A13 E14 L20 A21 F89 L92 D93 R133A13-T17 WeakPolarHBondContact O-CG2 3.46Å; A13-T17 PolarHBondContact O-N 3.18Å; E14-T17 PolarHBondContact O-N 2.72Å; E14-T17 PolarHBondContact O-OG1 3.49Å; E14-T17 PolarHBondContact OE2-OG1 3.12Å; T17-L20 PolarHBondContact O-N 3.34Å; T17-A21 WeakPolarHBondContact O-CB 3.33Å; T17-A21 PolarHBondContact O-N 2.89Å; T17-F89 HydrophobicContact CG2-CD2 4.24Å; T17-F89 HydrophobicContact CG2-CE2 4.41Å; T17-F89 WeakPolarHBondContact O-CE2 3.46Å; T17-L92 HydrophobicContact CG2-CB 3.85Å; T17-D93 HydrophobicContact CG2-CB 3.88Å; T17-R133 PolarHBondContact OG1-NH1 2.95Å; T17-R133 VanDerWaalsContact OG1-NH1 3.14Å
18G96.1Very high95.1Very high0 Ų044.4 Ų44.40%021%0.214CC..Hα-helixtrans-61.2-45.4175.200000112.3E14 A15 M16 L20 A21 A22 I35 T39E14-G18 PolarHBondContact O-N 2.88Å; A15-G18 PolarHBondContact O-N 3.46Å; M16-G18 PolarHBondContact O-N 3.37Å; G18-L20 PolarHBondContact O-N 3.02Å; G18-A21 PolarHBondContact O-N 2.88Å; G18-A22 PolarHBondContact O-N 3.41Å; G18-I35 WeakPolarHBondContact O-CG2 3.27Å; G18-T39 WeakPolarHBondContact CA-OG1 3.32Å
19A96.5Very high94.9Very high2 Ų246 Ų462%0.01723%0.225CC..Hα-helixtrans-62.8-43177.700000112.5A15 M16 A21 A22 G23 V32 A36 A72 T75A15-A19 VanDerWaalsContact O-CB 3.28Å; A15-A19 WeakPolarHBondContact O-CB 3.24Å; A15-A19 PolarHBondContact O-N 3.38Å; M16-A19 PolarHBondContact O-N 3.34Å; A19-A21 VanDerWaalsContact C-N 3.33Å; A19-A21 PolarHBondContact O-N 3.31Å; A19-A22 PolarHBondContact O-N 2.89Å; A19-G23 PolarHBondContact O-N 3.45Å; A19-V32 HydrophobicContact CB-CG1 3.63Å; A19-A36 HydrophobicContact CB-CB 4.46Å; A19-A72 HydrophobicContact CB-CB 4.19Å; A19-T75 HydrophobicContact CB-CG2 3.89Å
20L93.6Very high94.9Very high14 Ų1449.8 Ų49.87%0.07324%0.237CC..Hα-helixtrans-65-35.4174.8-69.3177.5000112.5M16 T17 G18 R24 T75 A79 L85 F89M16-L20 WeakPolarHBondContact O-CB 3.28Å; M16-L20 VanDerWaalsContact O-CG 3.26Å; M16-L20 WeakPolarHBondContact O-CG 3.4Å; M16-L20 PolarHBondContact O-N 2.99Å; T17-L20 PolarHBondContact O-N 3.34Å; G18-L20 PolarHBondContact O-N 3.02Å; L20-R24 WeakPolarHBondContact O-CG 3.36Å; L20-R24 PolarHBondContact O-N 3.24Å; L20-T75 HydrophobicContact CD2-CG2 3.67Å; L20-T75 HydrophobicContact CG-CG2 3.72Å; L20-A79 HydrophobicContact CD2-CB 3.68Å; L20-L85 HydrophobicContact CD1-CD2 4.04Å; L20-L85 HydrophobicContact CD2-CD1 4.22Å; L20-L85 HydrophobicContact CD2-CD2 3.43Å; L20-L85 VanDerWaalsContact CD2-CD2 3.43Å; L20-L85 HydrophobicContact CD2-CG 4.36Å; L20-L85 HydrophobicContact CG-CD2 4.39Å; L20-F89 HydrophobicContact CB-CD2 4.31Å; L20-F89 HydrophobicContact CD1-CB 4.18Å; L20-F89 HydrophobicContact CD1-CD2 4.49Å
21A92.3Very high94.9Very high0 Ų050.3 Ų50.30%024%0.242CC..Hα-helixtrans-66.9-44.7175.600000111.8T17 G18 A19 R24 R25 R133T17-A21 WeakPolarHBondContact O-CB 3.33Å; T17-A21 PolarHBondContact O-N 2.89Å; G18-A21 PolarHBondContact O-N 2.88Å; A19-A21 VanDerWaalsContact C-N 3.33Å; A19-A21 PolarHBondContact O-N 3.31Å; A21-R24 PolarHBondContact O-N 2.86Å; A21-R25 PolarHBondContact O-N 2.99Å; A21-R133 HydrophobicContact CB-CG 3.74Å
22A94.5Very high94.9Very high0 Ų050.4 Ų50.40%024%0.243CC..Hα-helixtrans-64-43175.400000112.4G18 A19 R24 R25 R26 M27 V32 I35G18-A22 PolarHBondContact O-N 3.41Å; A19-A22 PolarHBondContact O-N 2.89Å; A22-R24 VanDerWaalsContact C-N 3.3Å; A22-R24 PolarHBondContact O-N 3.46Å; A22-R25 CarbonylContact O-C 3.31Å; A22-R25 WeakPolarHBondContact O-CA 3.44Å; A22-R25 WeakPolarHBondContact O-CB 3.33Å; A22-R25 PolarHBondContact O-N 3.27Å; A22-R26 PolarHBondContact O-N 3.42Å; A22-M27 HydrophobicContact CB-CB 4.36Å; A22-M27 HydrophobicContact CB-CG 4.44Å; A22-M27 HydrophobicContact CB-SD 3.75Å; A22-M27 PolarHBondContact O-N 3.37Å; A22-V32 HydrophobicContact CB-CB 4.31Å; A22-V32 HydrophobicContact CB-CG2 3.86Å; A22-I35 HydrophobicContact CB-CB 3.98Å; A22-I35 HydrophobicContact CB-CG1 3.99Å; A22-I35 HydrophobicContact CB-CG2 4.25Å
23G90.8Very high94.9Very high41 Ų4150.1 Ų50.142%0.42324%0.239SC..Hα-helixtrans-59.2-38.8175.800000112.6A19 R25 R26A19-G23 PolarHBondContact O-N 3.45Å; G23-R25 PolarHBondContact O-N 3.5Å; G23-R26 PolarHBondContact O-N 3.41Å
24R88.8Confident95Very high114 Ų11453.8 Ų53.843%0.4326%0.257SS..THydrogen-bonded Turntrans-65.3-16.1172.4-73.6-172.8-64.3-147.6-0.3113.9L20 A21 A22L20-R24 WeakPolarHBondContact O-CG 3.36Å; L20-R24 PolarHBondContact O-N 3.24Å; A21-R24 PolarHBondContact O-N 2.86Å; A22-R24 VanDerWaalsContact C-N 3.3Å; A22-R24 PolarHBondContact O-N 3.46Å
25R91.6Very high95Very high120 Ų12053.9 Ų53.945%0.45326%0.258SS..THydrogen-bonded Turntrans-100.78.2173.6-64.4-55.1-164.3-175.16.7112.9A21 A22 G23 M27 C137 K138A21-R25 PolarHBondContact O-N 2.99Å; A22-R25 CarbonylContact O-C 3.31Å; A22-R25 WeakPolarHBondContact O-CA 3.44Å; A22-R25 WeakPolarHBondContact O-CB 3.33Å; A22-R25 PolarHBondContact O-N 3.27Å; G23-R25 PolarHBondContact O-N 3.5Å; R25-M27 HydrophobicContact CB-CG 4.06Å; R25-M27 HydrophobicContact CB-SD 4.45Å; R25-M27 PolarHBondContact O-N 2.94Å; R25-C137 HydrophobicContact CG-CB 4.18Å; R25-C137 VanDerWaalsContact CZ-O 3.26Å; R25-C137 PolarHBondContact NE-O 2.85Å; R25-C137 PolarHBondContact NH2-O 2.69Å; R25-K138 PolarHBondContact NH2-O 3.15Å
26R91Very high95.1Very high240 Ų24053.9 Ų53.991%0.90626%0.258SS*.THydrogen-bonded Turntrans52.937.7179.5-56.8-174.8178.7-170.3-0.7112.6A22 G23A22-R26 PolarHBondContact O-N 3.42Å; G23-R26 PolarHBondContact O-N 3.41Å
27M94.4Very high95.2Very high75 Ų7552.9 Ų52.937%0.36926%0.255SS..  trans-72.8153.6173-59.7179.3111.600110A22 R25 I35A22-M27 HydrophobicContact CB-CB 4.36Å; A22-M27 HydrophobicContact CB-CG 4.44Å; A22-M27 HydrophobicContact CB-SD 3.75Å; A22-M27 PolarHBondContact O-N 3.37Å; R25-M27 HydrophobicContact CB-CG 4.06Å; R25-M27 HydrophobicContact CB-SD 4.45Å; R25-M27 PolarHBondContact O-N 2.94Å; M27-I35 HydrophobicContact CE-CD1 4.35Å; M27-I35 HydrophobicContact CE-CG1 4.24Å; M27-I35 HydrophobicContact SD-CD1 4.48Å; M27-I35 HydrophobicContact SD-CG1 3.78Å
28D95.8Very high95.3Very high110 Ų11053.8 Ų53.859%0.58826%0.262SS*.  trans-72172.2172.567.1-1.3000111.7F30 G31 V32D28-F30 PolarHBondContact O-N 2.9Å; D28-G31 PolarHBondContact O-N 3.44Å; D28-G31 VanDerWaalsContact O-N 3.14Å; D28-G31 PolarHBondContact OD1-N 3.26Å; D28-V32 WeakPolarHBondContact O-CG2 3.21Å; D28-V32 PolarHBondContact O-N 3.12Å
29T95Very high95.4Very high84 Ų8453.9 Ų53.952%0.51526%0.263SS..Hα-helixtrans-56.4-37.6-177.7-50.20000112.4V32 I33 V73T29-V32 PolarHBondContact O-N 2.94Å; T29-I33 HydrophobicContact CG2-CD1 4.22Å; T29-I33 WeakPolarHBondContact O-CG1 3.37Å; T29-I33 PolarHBondContact O-N 3.04Å; T29-V73 HydrophobicContact CG2-CG2 4.19Å
30F96.8Very high95.5Very high141 Ų14153.9 Ų53.962%0.61826%0.263SS*.Hα-helixtrans-66.8-47.4178.1-172.1-99.9000111.2D28 V32 I33 I34D28-F30 PolarHBondContact O-N 2.9Å; F30-V32 VanDerWaalsContact C-N 3.3Å; F30-V32 PolarHBondContact O-N 2.73Å; F30-I33 PolarHBondContact O-N 3.5Å; F30-I33 VanDerWaalsContact O-N 3.15Å; F30-I34 HydrophobicContact CD1-CG1 4.11Å; F30-I34 HydrophobicContact CE1-CD1 4.17Å; F30-I34 HydrophobicContact CE1-CG1 3.75Å; F30-I34 HydrophobicContact CZ-CD1 4Å; F30-I34 HydrophobicContact CZ-CG1 4.05Å; F30-I34 WeakPolarHBondContact O-CG1 3.28Å; F30-I34 PolarHBondContact O-N 2.98Å
31G97.6Very high95.7Very high11 Ų1153.8 Ų53.811%0.11326%0.262CS..Hα-helixtrans-55.4-45.2173.100000112.1D28 I33 I34 I35D28-G31 PolarHBondContact O-N 3.44Å; D28-G31 VanDerWaalsContact O-N 3.14Å; D28-G31 PolarHBondContact OD1-N 3.26Å; G31-I33 PolarHBondContact O-N 2.93Å; G31-I34 PolarHBondContact O-N 3.2Å; G31-I35 VanDerWaalsContact O-CG1 3.31Å; G31-I35 WeakPolarHBondContact O-CG1 3.42Å; G31-I35 PolarHBondContact O-N 3.07Å
32V97.6Very high96Very high3 Ų354.2 Ų54.22%0.01827%0.266CS..Hα-helixtrans-56.4-47.7175.4171.40000111.7A19 A22 D28 T29 F30 I34 I35 A36 A72 T76A19-V32 HydrophobicContact CB-CG1 3.63Å; A22-V32 HydrophobicContact CB-CB 4.31Å; A22-V32 HydrophobicContact CB-CG2 3.86Å; D28-V32 WeakPolarHBondContact O-CG2 3.21Å; D28-V32 PolarHBondContact O-N 3.12Å; T29-V32 PolarHBondContact O-N 2.94Å; F30-V32 VanDerWaalsContact C-N 3.3Å; F30-V32 PolarHBondContact O-N 2.73Å; V32-I34 PolarHBondContact O-N 3.06Å; V32-I35 PolarHBondContact O-N 3.26Å; V32-A36 VanDerWaalsContact O-CB 3.24Å; V32-A36 WeakPolarHBondContact O-CB 3.31Å; V32-A36 PolarHBondContact O-N 3.36Å; V32-A72 HydrophobicContact CG1-CB 4.19Å; V32-T76 HydrophobicContact CB-CG2 4.3Å; V32-T76 HydrophobicContact CG1-CG2 3.57Å; V32-T76 HydrophobicContact CG2-CG2 4.05Å
33I98.4Very high96.1Very high41 Ų4154.3 Ų54.321%0.2127%0.267CS..Hα-helixtrans-62.7-43.5179.8-69.6165.4000110.8T29 F30 G31 A36 T37 A69 A72 V73T29-I33 HydrophobicContact CG2-CD1 4.22Å; T29-I33 WeakPolarHBondContact O-CG1 3.37Å; T29-I33 PolarHBondContact O-N 3.04Å; F30-I33 PolarHBondContact O-N 3.5Å; F30-I33 VanDerWaalsContact O-N 3.15Å; G31-I33 PolarHBondContact O-N 2.93Å; I33-A36 PolarHBondContact O-N 3.48Å; I33-T37 VanDerWaalsContact O-CB 3.28Å; I33-T37 WeakPolarHBondContact O-CB 3.34Å; I33-T37 PolarHBondContact O-N 3.23Å; I33-T37 PolarHBondContact O-OG1 3.44Å; I33-A69 HydrophobicContact CG2-CB 3.96Å; I33-A72 HydrophobicContact CG1-CB 4.32Å; I33-V73 HydrophobicContact CD1-CG2 4.02Å; I33-V73 HydrophobicContact CG1-CG2 4.26Å
34I98.1Very high96.5Very high81 Ų8153 Ų5342%0.41525%0.254SS..Hα-helixtrans-63.4-45.9178.5-65.8-62.7000111.4F30 G31 V32 T37 A38F30-I34 HydrophobicContact CD1-CG1 4.11Å; F30-I34 HydrophobicContact CE1-CD1 4.17Å; F30-I34 HydrophobicContact CE1-CG1 3.75Å; F30-I34 HydrophobicContact CZ-CD1 4Å; F30-I34 HydrophobicContact CZ-CG1 4.05Å; F30-I34 WeakPolarHBondContact O-CG1 3.28Å; F30-I34 PolarHBondContact O-N 2.98Å; G31-I34 PolarHBondContact O-N 3.2Å; V32-I34 PolarHBondContact O-N 3.06Å; I34-T37 PolarHBondContact O-N 2.99Å; I34-A38 WeakPolarHBondContact O-CB 3.46Å; I34-A38 PolarHBondContact O-N 3.39Å
35I97.8Very high96.9Very high6 Ų648.3 Ų48.33%0.03124%0.239CC..Hα-helixtrans-64.4-44.7177.4-60-43.7000110.8G18 A22 M27 G31 V32 T37 A38 T39 R133 F136G18-I35 WeakPolarHBondContact O-CG2 3.27Å; A22-I35 HydrophobicContact CB-CB 3.98Å; A22-I35 HydrophobicContact CB-CG1 3.99Å; A22-I35 HydrophobicContact CB-CG2 4.25Å; M27-I35 HydrophobicContact CE-CD1 4.35Å; M27-I35 HydrophobicContact CE-CG1 4.24Å; M27-I35 HydrophobicContact SD-CD1 4.48Å; M27-I35 HydrophobicContact SD-CG1 3.78Å; G31-I35 VanDerWaalsContact O-CG1 3.31Å; G31-I35 WeakPolarHBondContact O-CG1 3.42Å; G31-I35 PolarHBondContact O-N 3.07Å; V32-I35 PolarHBondContact O-N 3.26Å; I35-T37 VanDerWaalsContact C-N 3.31Å; I35-T37 PolarHBondContact O-N 3.19Å; I35-A38 PolarHBondContact O-N 3.38Å; I35-T39 WeakPolarHBondContact O-CB 3.47Å; I35-T39 PolarHBondContact O-N 3.42Å; I35-T39 PolarHBondContact O-OG1 3.31Å; I35-R133 HydrophobicContact CG2-CG 4.21Å; I35-F136 HydrophobicContact CD1-CB 3.35Å; I35-F136 HydrophobicContact CD1-CD2 3.78Å; I35-F136 HydrophobicContact CD1-CG 3.81Å
36A98.5Very high97.3Very high0 Ų044.3 Ų44.30%023%0.228CC..Hα-helixtrans-59.2-43.3176.700000111.7A15 A19 V32 I33 T39 A40 V68 A72A15-A36 HydrophobicContact CB-CB 4.24Å; A15-A36 WeakPolarHBondContact O-CB 3.33Å; A19-A36 HydrophobicContact CB-CB 4.46Å; V32-A36 VanDerWaalsContact O-CB 3.24Å; V32-A36 WeakPolarHBondContact O-CB 3.31Å; V32-A36 PolarHBondContact O-N 3.36Å; I33-A36 PolarHBondContact O-N 3.48Å; A36-T39 PolarHBondContact O-N 3.42Å; A36-A40 VanDerWaalsContact O-CB 3.25Å; A36-A40 WeakPolarHBondContact O-CB 3.26Å; A36-A40 PolarHBondContact O-N 2.95Å; A36-V68 HydrophobicContact CB-CG1 4.2Å; A36-A72 HydrophobicContact CB-CB 3.5Å; A36-A72 VanDerWaalsContact CB-CB 3.5Å
37T98.5Very high97.6Very high27 Ų2733.7 Ų33.717%0.16619%0.187CC..Hα-helixtrans-62.2-52.4176.8-56.50000111I33 I34 I35 T39 A40 I41I33-T37 VanDerWaalsContact O-CB 3.28Å; I33-T37 WeakPolarHBondContact O-CB 3.34Å; I33-T37 PolarHBondContact O-N 3.23Å; I33-T37 PolarHBondContact O-OG1 3.44Å; I34-T37 PolarHBondContact O-N 2.99Å; I35-T37 VanDerWaalsContact C-N 3.31Å; I35-T37 PolarHBondContact O-N 3.19Å; T37-T39 PolarHBondContact O-N 2.86Å; T37-A40 PolarHBondContact O-N 3.42Å; T37-I41 HydrophobicContact CG2-CD1 3.58Å; T37-I41 HydrophobicContact CG2-CG1 3.8Å; T37-I41 WeakPolarHBondContact O-CG1 3.14Å; T37-I41 PolarHBondContact O-N 2.88Å
38A98.1Very high97.8Very high19 Ų1930.3 Ų30.316%0.15717%0.171CC..Hα-helixtrans-59.5-35.617700000112.9I34 I35 G42 L132 F136I34-A38 WeakPolarHBondContact O-CB 3.46Å; I34-A38 PolarHBondContact O-N 3.39Å; I35-A38 PolarHBondContact O-N 3.38Å; A38-G42 WeakPolarHBondContact O-CA 3.25Å; A38-G42 PolarHBondContact O-N 2.94Å; A38-G42 VanDerWaalsContact O-N 3.08Å; A38-L132 HydrophobicContact CB-CB 4.45Å; A38-F136 HydrophobicContact CB-CD2 4.06Å; A38-F136 HydrophobicContact CB-CE2 3.59Å
39T97.4Very high97.9Very high2 Ų229.5 Ų29.51%0.01217%0.166CC..Hα-helixtrans-69.8-49.3177.8-49.30000111.1E14 G18 I35 A36 T37 G129 R133E14-T39 HydrophobicContact CB-CG2 4.17Å; E14-T39 WeakPolarHBondContact O-CG2 3.44Å; E14-T39 WeakPolarHBondContact OE2-CG2 3.3Å; G18-T39 WeakPolarHBondContact CA-OG1 3.32Å; I35-T39 WeakPolarHBondContact O-CB 3.47Å; I35-T39 PolarHBondContact O-N 3.42Å; I35-T39 PolarHBondContact O-OG1 3.31Å; A36-T39 PolarHBondContact O-N 3.42Å; T37-T39 PolarHBondContact O-N 2.86Å; T39-G129 WeakPolarHBondContact O-CA 3.38Å; T39-R133 HydrophobicContact CG2-CB 3.95Å; T39-R133 HydrophobicContact CG2-CG 4.29Å; T39-R133 VanDerWaalsContact OG1-CB 3.28Å; T39-R133 WeakPolarHBondContact OG1-CB 3.26Å
40A98.5Very high98.1Very high3 Ų331.3 Ų31.33%0.02517%0.171CC..Hα-helixtrans-74.5-43.1-171.100000114.2I11 E14 A15 A36 T37 V68 F100I11-A40 HydrophobicContact CB-CB 4.22Å; I11-A40 VanDerWaalsContact O-CB 3.29Å; I11-A40 WeakPolarHBondContact O-CB 3.47Å; E14-A40 HydrophobicContact CB-CB 4.12Å; A15-A40 HydrophobicContact CB-CB 4.21Å; A36-A40 VanDerWaalsContact O-CB 3.25Å; A36-A40 WeakPolarHBondContact O-CB 3.26Å; A36-A40 PolarHBondContact O-N 2.95Å; T37-A40 PolarHBondContact O-N 3.42Å; A40-V68 HydrophobicContact CB-CG1 4.02Å; A40-V68 HydrophobicContact CB-CG2 3.63Å; A40-F100 WeakPolarHBondContact O-CZ 3.32Å
41I97.8Very high98.2Very high12 Ų1226.6 Ų26.66%0.06215%0.152CC..Hα-helixtrans-112.6-11.1-174.760.3161.4000113.1I11 T37 S45 W58 V65 V68I11-I41 HydrophobicContact CG2-CG2 4.13Å; T37-I41 HydrophobicContact CG2-CD1 3.58Å; T37-I41 HydrophobicContact CG2-CG1 3.8Å; T37-I41 WeakPolarHBondContact O-CG1 3.14Å; T37-I41 PolarHBondContact O-N 2.88Å; I41-S45 WeakPolarHBondContact O-CB 3.28Å; I41-S45 PolarHBondContact O-N 3.46Å; I41-S45 PolarHBondContact O-OG 2.89Å; I41-W58 HydrophobicContact CD1-CB 3.78Å; I41-W58 HydrophobicContact CD1-CD2 4.2Å; I41-W58 HydrophobicContact CD1-CG 3.59Å; I41-V65 HydrophobicContact CD1-CG2 4.42Å; I41-V68 HydrophobicContact CG2-CG2 4.37Å
42G98.2Very high98.2Very high8 Ų828.3 Ų28.38%0.08217%0.171CC..Hα-helixtrans-66.3-40.7-176.700000113.1A38 G44 S45 V46A38-G42 WeakPolarHBondContact O-CA 3.25Å; A38-G42 PolarHBondContact O-N 2.94Å; A38-G42 VanDerWaalsContact O-N 3.08Å; G42-G44 PolarHBondContact O-N 3.12Å; G42-S45 WeakPolarHBondContact O-CB 3.34Å; G42-S45 PolarHBondContact O-N 2.91Å; G42-S45 VanDerWaalsContact O-N 3.15Å; G42-V46 WeakPolarHBondContact O-CG2 3.46Å; G42-V46 PolarHBondContact O-N 3.23Å
43G97.9Very high98.2Very high2 Ų231.4 Ų31.42%0.02119%0.185CC..Hα-helixtrans-59.2-47.6177.500000112.9S45 V46 R47G43-S45 VanDerWaalsContact C-N 3.34Å; G43-S45 PolarHBondContact O-N 3.23Å; G43-V46 PolarHBondContact O-N 2.92Å; G43-R47 PolarHBondContact O-N 2.81Å; G43-R47 VanDerWaalsContact O-N 3.09Å
44G98.1Very high98.1Very high14 Ų1436 Ų3614%0.14420%0.2CC..Hα-helixtrans-63.8-37.3173.700000113.2G42 R47 D48G42-G44 PolarHBondContact O-N 3.12Å; G44-R47 PolarHBondContact O-N 3.03Å; G44-D48 WeakPolarHBondContact O-CB 3.42Å; G44-D48 PolarHBondContact O-N 3.17Å
45S98.5Very high98.1Very high16 Ų1635.4 Ų35.411%0.11220%0.202CC..Hα-helixtrans-65.1-42.4176.4-57.90000111.9I41 G42 G43 D48 I49 W58I41-S45 WeakPolarHBondContact O-CB 3.28Å; I41-S45 PolarHBondContact O-N 3.46Å; I41-S45 PolarHBondContact O-OG 2.89Å; G42-S45 WeakPolarHBondContact O-CB 3.34Å; G42-S45 PolarHBondContact O-N 2.91Å; G42-S45 VanDerWaalsContact O-N 3.15Å; G43-S45 VanDerWaalsContact C-N 3.34Å; G43-S45 PolarHBondContact O-N 3.23Å; S45-D48 PolarHBondContact O-N 3.03Å; S45-I49 WeakPolarHBondContact O-CB 3.29Å; S45-I49 WeakPolarHBondContact O-CD1 3.29Å; S45-I49 WeakPolarHBondContact O-CG1 3.19Å; S45-I49 PolarHBondContact O-N 3.39Å; S45-W58 PolarHBondContact OG-NE1 2.92Å
46V98.7Very high98Very high35 Ų3536.1 Ų36.121%0.21221%0.206CC..Hα-helixtrans-61.7-47.3175.5174.40000110.3G42 G43 D48 I49 L50 T124 F128G42-V46 WeakPolarHBondContact O-CG2 3.46Å; G42-V46 PolarHBondContact O-N 3.23Å; G43-V46 PolarHBondContact O-N 2.92Å; V46-D48 VanDerWaalsContact C-N 3.35Å; V46-D48 PolarHBondContact O-N 2.88Å; V46-I49 PolarHBondContact O-N 3.22Å; V46-L50 HydrophobicContact CG1-CD1 3.82Å; V46-L50 HydrophobicContact CG1-CG 4.33Å; V46-L50 WeakPolarHBondContact O-CB 3.44Å; V46-L50 VanDerWaalsContact O-CG 3.22Å; V46-L50 WeakPolarHBondContact O-CG 3.12Å; V46-L50 PolarHBondContact O-N 2.89Å; V46-T124 HydrophobicContact CB-CG2 4.35Å; V46-T124 HydrophobicContact CG1-CG2 3.8Å; V46-F128 HydrophobicContact CB-CD1 4.42Å; V46-F128 HydrophobicContact CG1-CD1 3.91Å; V46-F128 HydrophobicContact CG1-CE1 4.17Å; V46-F128 HydrophobicContact CG1-CG 4.28Å; V46-F128 HydrophobicContact CG2-CD1 4.23Å
47R98.3Very high97.7Very high17 Ų1737.2 Ų37.26%0.06422%0.216CC..Hα-helixtrans-54.1-53173.7175.5-149.554.9-143.66110.9G43 G44 I49 L50 L51 A121 T124 T125G43-R47 PolarHBondContact O-N 2.81Å; G43-R47 VanDerWaalsContact O-N 3.09Å; G44-R47 PolarHBondContact O-N 3.03Å; R47-I49 VanDerWaalsContact C-N 3.32Å; R47-I49 PolarHBondContact O-N 3Å; R47-L50 PolarHBondContact O-N 3.43Å; R47-L50 VanDerWaalsContact O-N 3.17Å; R47-L51 HydrophobicContact CG-CD1 3.84Å; R47-L51 HydrophobicContact CG-CG 4.36Å; R47-L51 WeakPolarHBondContact O-CG 3.44Å; R47-L51 PolarHBondContact O-N 3.35Å; R47-A121 HydrophobicContact CG-CB 4.08Å; R47-T124 HydrophobicContact CB-CG2 4.29Å; R47-T125 WeakPolarHBondContact CB-OG1 3.39Å; R47-T125 VanDerWaalsContact CD-OG1 3.28Å; R47-T125 WeakPolarHBondContact CD-OG1 3.34Å; R47-T125 PolarHBondContact NH1-OG1 2.64Å
48D98.5Very high97.6Very high5 Ų540.3 Ų40.33%0.02723%0.225CC..Hα-helixtrans-61-42-174.5-77.5-11.5000111.8G44 S45 V46 L51 G52 H53 L56G44-D48 WeakPolarHBondContact O-CB 3.42Å; G44-D48 PolarHBondContact O-N 3.17Å; S45-D48 PolarHBondContact O-N 3.03Å; V46-D48 VanDerWaalsContact C-N 3.35Å; V46-D48 PolarHBondContact O-N 2.88Å; D48-L51 PolarHBondContact O-N 3.31Å; D48-G52 CarbonylContact O-C 3.58Å; D48-G52 PolarHBondContact O-N 2.98Å; D48-H53 HydrophobicContact CB-CB 4.25Å; D48-H53 WeakPolarHBondContact CB-O 3.37Å; D48-H53 PolarHBondContact O-N 3.37Å; D48-H53 IonicContact OD1-CE1 2.98Å; D48-H53 IonicContact OD1-CG 2.81Å; D48-H53 IonicContact OD1-ND1 3.56Å; D48-H53 PolarHBondContact OD1-ND1 3.02Å; D48-H53 IonicContact OD2-ND1 3.63Å; D48-L56 HydrophobicContact CB-CD2 3.55Å
49I98.5Very high97.6Very high92 Ų9243.1 Ų43.147%0.47224%0.24SC..Hα-helixtrans-62.6-45.4175.1-67.9163.7000111.1S45 V46 R47 L51 G52 L56S45-I49 WeakPolarHBondContact O-CB 3.29Å; S45-I49 WeakPolarHBondContact O-CD1 3.29Å; S45-I49 WeakPolarHBondContact O-CG1 3.19Å; S45-I49 PolarHBondContact O-N 3.39Å; V46-I49 PolarHBondContact O-N 3.22Å; R47-I49 VanDerWaalsContact C-N 3.32Å; R47-I49 PolarHBondContact O-N 3Å; I49-L51 PolarHBondContact O-N 3.39Å; I49-G52 PolarHBondContact O-N 3.08Å; I49-L56 HydrophobicContact CG1-CD2 4.08Å
50L98.2Very high97.5Very high122 Ų12249.6 Ų49.664%0.63927%0.268SS*.Hα-helixtrans-66.9-34.6-178.4-70.7174.2000113.1V46 R47 T124V46-L50 HydrophobicContact CG1-CD1 3.82Å; V46-L50 HydrophobicContact CG1-CG 4.33Å; V46-L50 WeakPolarHBondContact O-CB 3.44Å; V46-L50 VanDerWaalsContact O-CG 3.22Å; V46-L50 WeakPolarHBondContact O-CG 3.12Å; V46-L50 PolarHBondContact O-N 2.89Å; R47-L50 PolarHBondContact O-N 3.43Å; R47-L50 VanDerWaalsContact O-N 3.17Å; L50-T124 HydrophobicContact CD1-CG2 4.13Å
51L98.2Very high97.4Very high42 Ų4252.2 Ų52.222%0.2228%0.28CS..Hα-helixtrans-91.6-7.4-179.9-61-176.4000113.4R47 D48 I49 H53 A108 M111 I117 A121R47-L51 HydrophobicContact CG-CD1 3.84Å; R47-L51 HydrophobicContact CG-CG 4.36Å; R47-L51 WeakPolarHBondContact O-CG 3.44Å; R47-L51 PolarHBondContact O-N 3.35Å; D48-L51 PolarHBondContact O-N 3.31Å; I49-L51 PolarHBondContact O-N 3.39Å; L51-H53 VanDerWaalsContact C-N 3.32Å; L51-A108 HydrophobicContact CD1-CB 4.08Å; L51-M111 HydrophobicContact CB-CE 3.86Å; L51-M111 HydrophobicContact CB-SD 4.07Å; L51-M111 HydrophobicContact CD1-SD 4.15Å; L51-M111 VanDerWaalsContact O-CE 3.27Å; L51-M111 WeakPolarHBondContact O-CE 3.46Å; L51-I117 HydrophobicContact CD2-CG2 3.93Å; L51-A121 HydrophobicContact CD1-CB 3.99Å
52G97.7Very high97.4Very high48 Ų4855.3 Ų55.350%0.49530%0.301SS..THydrogen-bonded Turntrans71.326.6-173.600000113.5D48 I49 Y54D48-G52 CarbonylContact O-C 3.58Å; D48-G52 PolarHBondContact O-N 2.98Å; I49-G52 PolarHBondContact O-N 3.08Å; G52-Y54 PolarHBondContact O-N 3.24Å
53H97.3Very high97.4Very high67 Ų6759 Ų5931%0.3132%0.316SS..  trans-87.299.4-179.7-177-111.7000110.5D48 L51 M111D48-H53 HydrophobicContact CB-CB 4.25Å; D48-H53 WeakPolarHBondContact CB-O 3.37Å; D48-H53 PolarHBondContact O-N 3.37Å; D48-H53 IonicContact OD1-CE1 2.98Å; D48-H53 IonicContact OD1-CG 2.81Å; D48-H53 IonicContact OD1-ND1 3.56Å; D48-H53 PolarHBondContact OD1-ND1 3.02Å; D48-H53 IonicContact OD2-ND1 3.63Å; L51-H53 VanDerWaalsContact C-N 3.32Å; H53-M111 HydrophobicContact CB-CE 3.94Å; H53-M111 HydrophobicContact CB-SD 3.71Å
54Y97.4Very high97.4Very high138 Ų13859.6 Ų59.654%0.54132%0.318SS..  trans-126.4155.3-176.6-68.9-80.9000112.5G52 L56G52-Y54 PolarHBondContact O-N 3.24Å; Y54-L56 HydrophobicContact CD1-CD2 3.89Å; Y54-L56 HydrophobicContact CD1-CG 4.15Å; Y54-L56 HydrophobicContact CE1-CD2 3.64Å; Y54-L56 HydrophobicContact CE1-CG 4.08Å
55P97Very high97.4Very high69 Ų6961.2 Ų61.245%0.44833%0.325SS..SBendcis-67.4154.9-6.228.6-35.1000112.4V59 K60P55-V59 HydrophobicContact CB-CB 4.31Å; P55-V59 HydrophobicContact CB-CG1 4.08Å; P55-K60 HydrophobicContact CG-CB 3.96Å; P55-K60 HydrophobicContact CG-CD 4.4Å; P55-K60 HydrophobicContact CG-CG 4.22Å
56L97Very high97.4Very high21 Ų2165.9 Ų65.911%0.1135%0.347CS..  trans-55.9147.4176-56.3-178.2000110D48 I49 Y54 W58 V59 K60D48-L56 HydrophobicContact CB-CD2 3.55Å; I49-L56 HydrophobicContact CG1-CD2 4.08Å; Y54-L56 HydrophobicContact CD1-CD2 3.89Å; Y54-L56 HydrophobicContact CD1-CG 4.15Å; Y54-L56 HydrophobicContact CE1-CD2 3.64Å; Y54-L56 HydrophobicContact CE1-CG 4.08Å; L56-W58 VanDerWaalsContact C-N 3.25Å; L56-W58 HydrophobicContact CD1-CZ2 3.89Å; L56-W58 PolarHBondContact O-N 3.42Å; L56-W58 VanDerWaalsContact O-N 3.1Å; L56-V59 HydrophobicContact CB-CB 4.32Å; L56-V59 HydrophobicContact CB-CG2 3.98Å; L56-V59 HydrophobicContact CG-CG2 4.49Å; L56-V59 WeakPolarHBondContact O-CA 3.5Å; L56-V59 WeakPolarHBondContact O-CB 3.34Å; L56-V59 PolarHBondContact O-N 3.43Å; L56-K60 PolarHBondContact O-N 3.21Å
57G92.8Very high97.3Very high22 Ų2266.9 Ų66.923%0.22735%0.351CS..Hα-helixtrans-50.8-42.3-174.800000114.3H61G57-H61 WeakPolarHBondContact O-CB 3.39Å; G57-H61 PolarHBondContact O-N 2.92Å
58W95.3Very high97.4Very high93 Ų9366 Ų6635%0.35235%0.348SS..Hα-helixtrans-79.1-19.7178.664.2-91.9000114.2I41 S45 L56 H61 P62 V65I41-W58 HydrophobicContact CD1-CB 3.78Å; I41-W58 HydrophobicContact CD1-CD2 4.2Å; I41-W58 HydrophobicContact CD1-CG 3.59Å; S45-W58 PolarHBondContact OG-NE1 2.92Å; L56-W58 VanDerWaalsContact C-N 3.25Å; L56-W58 HydrophobicContact CD1-CZ2 3.89Å; L56-W58 PolarHBondContact O-N 3.42Å; L56-W58 VanDerWaalsContact O-N 3.1Å; W58-H61 CarbonylContact O-C 3.54Å; W58-H61 VanDerWaalsContact O-C 3.31Å; W58-P62 VanDerWaalsContact O-CA 3.29Å; W58-P62 WeakPolarHBondContact O-CA 3.46Å; W58-V65 HydrophobicContact CB-CG2 3.95Å; W58-V65 HydrophobicContact CE3-CG2 4.18Å
59V97.4Very high97.4Very high78 Ų7867 Ų6747%0.47336%0.356SS..Hα-helixtrans-76.1-40.4171.4174.50000109.5P55 L56 H61P55-V59 HydrophobicContact CB-CB 4.31Å; P55-V59 HydrophobicContact CB-CG1 4.08Å; L56-V59 HydrophobicContact CB-CB 4.32Å; L56-V59 HydrophobicContact CB-CG2 3.98Å; L56-V59 HydrophobicContact CG-CG2 4.49Å; L56-V59 WeakPolarHBondContact O-CA 3.5Å; L56-V59 WeakPolarHBondContact O-CB 3.34Å; L56-V59 PolarHBondContact O-N 3.43Å; V59-H61 VanDerWaalsContact C-N 3.34Å
60K96.4Very high97.4Very high138 Ų13866.1 Ų66.160%0.636%0.355SS*.Hα-helixtrans-67.4-36.4174.2-165.4177.1176.5176.90112.3P55 L56P55-K60 HydrophobicContact CG-CB 3.96Å; P55-K60 HydrophobicContact CG-CD 4.4Å; P55-K60 HydrophobicContact CG-CG 4.22Å; L56-K60 PolarHBondContact O-N 3.21Å
61H96.8Very high97.3Very high57 Ų5760.8 Ų60.826%0.26433%0.328SS..  trans-130.477.1-174.4-64.1-74000110.3G57 W58 V59 E63 Y64G57-H61 WeakPolarHBondContact O-CB 3.39Å; G57-H61 PolarHBondContact O-N 2.92Å; W58-H61 CarbonylContact O-C 3.54Å; W58-H61 VanDerWaalsContact O-C 3.31Å; V59-H61 VanDerWaalsContact C-N 3.34Å; H61-E63 WeakPolarHBondContact CA-OE2 3.33Å; H61-E63 HydrophobicContact CB-CG 4.39Å; H61-E63 WeakPolarHBondContact CB-OE1 3.1Å; H61-E63 IonicContact CG-OE1 3.44Å; H61-E63 IonicContact ND1-OE1 3.89Å; H61-E63 PolarHBondContact ND1-OE1 3.24Å; H61-E63 PolarHBondContact O-N 3.34Å; H61-E63 VanDerWaalsContact O-N 3.12Å; H61-Y64 HydrophobicContact CB-CD1 4.21Å; H61-Y64 HydrophobicContact CB-CD2 3.5Å; H61-Y64 HydrophobicContact CB-CE1 4Å; H61-Y64 HydrophobicContact CB-CE2 3.27Å; H61-Y64 HydrophobicContact CB-CG 3.97Å; H61-Y64 AromaticContact CD2-CE2 3.82Å; H61-Y64 AromaticContact CG-CE2 3.7Å; H61-Y64 AromaticContact CG-CZ 3.72Å; H61-Y64 WeakPolarHBondContact O-CB 3.32Å; H61-Y64 PolarHBondContact O-N 2.98Å
62P97.2Very high97.3Very high78 Ų7858.8 Ų58.851%0.50632%0.318SS..THydrogen-bonded Turntrans-60-21.8-17925.1-34.7000113.2W58 Y64 V65W58-P62 VanDerWaalsContact O-CA 3.29Å; W58-P62 WeakPolarHBondContact O-CA 3.46Å; P62-Y64 PolarHBondContact O-N 3.15Å; P62-Y64 VanDerWaalsContact O-N 3.17Å; P62-V65 WeakPolarHBondContact O-CB 3.32Å; P62-V65 PolarHBondContact O-N 2.88Å
63E97.6Very high97.3Very high85 Ų8559 Ų5940%0.39731%0.309SS..Hα-helixtrans-54.7-29.217262.6-87.9-15600113.1H61 V65 I66 I67H61-E63 WeakPolarHBondContact CA-OE2 3.33Å; H61-E63 HydrophobicContact CB-CG 4.39Å; H61-E63 WeakPolarHBondContact CB-OE1 3.1Å; H61-E63 IonicContact CG-OE1 3.44Å; H61-E63 IonicContact ND1-OE1 3.89Å; H61-E63 PolarHBondContact ND1-OE1 3.24Å; H61-E63 PolarHBondContact O-N 3.34Å; H61-E63 VanDerWaalsContact O-N 3.12Å; E63-V65 VanDerWaalsContact C-N 3.3Å; E63-V65 PolarHBondContact O-N 3.15Å; E63-I66 PolarHBondContact O-N 3.44Å; E63-I67 VanDerWaalsContact O-CG1 3.32Å; E63-I67 WeakPolarHBondContact O-CG1 3.47Å; E63-I67 PolarHBondContact O-N 3.37Å
64Y97.8Very high97.2Very high14 Ų1460.4 Ų60.46%0.05532%0.319CS..Hα-helixtrans-64-35.9176.5-60.9-21.2000112.2H4 Y7 L8 I11 H61 P62 I66 I67 V68H4-Y64 PolarHBondContact CE1-OH 3.01Å; H4-Y64 VanDerWaalsContact CE1-OH 3.25Å; H4-Y64 PolarHBondContact ND1-OH 3.23Å; Y7-Y64 HydrophobicContact CD1-CD2 4.44Å; Y7-Y64 HydrophobicContact CD1-CE1 4.27Å; Y7-Y64 HydrophobicContact CD1-CE2 4.05Å; Y7-Y64 AromaticContact CD1-CZ 3.97Å; Y7-Y64 HydrophobicContact CE1-CD1 4.11Å; Y7-Y64 AromaticContact CE1-CD2 3.4Å; Y7-Y64 HydrophobicContact CE1-CD2 3.4Å; Y7-Y64 VanDerWaalsContact CE1-CD2 3.4Å; Y7-Y64 HydrophobicContact CE1-CE1 4.06Å; Y7-Y64 AromaticContact CE1-CE2 3.33Å; Y7-Y64 HydrophobicContact CE1-CE2 3.33Å; Y7-Y64 AromaticContact CE1-CG 3.81Å; Y7-Y64 HydrophobicContact CE1-CG 3.81Å; Y7-Y64 AromaticContact CE1-CZ 3.69Å; Y7-Y64 AromaticContact CZ-CD2 3.94Å; Y7-Y64 AromaticContact CZ-CE2 3.98Å; L8-Y64 HydrophobicContact CD2-CD1 3.94Å; L8-Y64 HydrophobicContact CD2-CE1 3.69Å; I11-Y64 HydrophobicContact CD1-CD1 4.08Å; I11-Y64 HydrophobicContact CD1-CG 4.15Å; H61-Y64 HydrophobicContact CB-CD1 4.21Å; H61-Y64 HydrophobicContact CB-CD2 3.5Å; H61-Y64 HydrophobicContact CB-CE1 4Å; H61-Y64 HydrophobicContact CB-CE2 3.27Å; H61-Y64 HydrophobicContact CB-CG 3.97Å; H61-Y64 AromaticContact CD2-CE2 3.82Å; H61-Y64 AromaticContact CG-CE2 3.7Å; H61-Y64 AromaticContact CG-CZ 3.72Å; H61-Y64 WeakPolarHBondContact O-CB 3.32Å; H61-Y64 PolarHBondContact O-N 2.98Å; P62-Y64 PolarHBondContact O-N 3.15Å; P62-Y64 VanDerWaalsContact O-N 3.17Å; Y64-I66 VanDerWaalsContact C-N 3.33Å; Y64-I67 HydrophobicContact CD1-CD1 4.48Å; Y64-I67 PolarHBondContact O-N 3.38Å; Y64-V68 VanDerWaalsContact O-CG2 3.28Å; Y64-V68 WeakPolarHBondContact O-CG2 3.43Å; Y64-V68 PolarHBondContact O-N 3.46Å
65V98.1Very high97.1Very high48 Ų4854.2 Ų54.229%0.29130%0.295SS..Hα-helixtrans-66.3-40.3176.1-176.70000110.3I41 W58 P62 E63 V68 A69I41-V65 HydrophobicContact CD1-CG2 4.42Å; W58-V65 HydrophobicContact CB-CG2 3.95Å; W58-V65 HydrophobicContact CE3-CG2 4.18Å; P62-V65 WeakPolarHBondContact O-CB 3.32Å; P62-V65 PolarHBondContact O-N 2.88Å; E63-V65 VanDerWaalsContact C-N 3.3Å; E63-V65 PolarHBondContact O-N 3.15Å; V65-V68 PolarHBondContact O-N 2.92Å; V65-A69 WeakPolarHBondContact O-CB 3.48Å; V65-A69 PolarHBondContact O-N 2.75Å
66I98.3Very high96.8Very high114 Ų11453.3 Ų53.359%0.58529%0.289SS*.Hα-helixtrans-64.6-43.8177.6-58.3175.2000110.5E63 Y64 V68 A69 T70E63-I66 PolarHBondContact O-N 3.44Å; Y64-I66 VanDerWaalsContact C-N 3.33Å; I66-V68 PolarHBondContact O-N 3.18Å; I66-A69 PolarHBondContact O-N 3.32Å; I66-T70 WeakPolarHBondContact O-CB 3.5Å; I66-T70 PolarHBondContact O-N 2.85Å; I66-T70 PolarHBondContact O-OG1 3.42Å
67I98.5Very high96.6Very high56 Ų5657.7 Ų57.729%0.28731%0.311SS..Hα-helixtrans-60-47.3176.8-68.6167.8000110.4L8 I11 E63 Y64 T70 A71L8-I67 HydrophobicContact CD2-CD1 3.86Å; I11-I67 HydrophobicContact CD1-CB 4.42Å; I11-I67 HydrophobicContact CD1-CG2 4.14Å; I11-I67 HydrophobicContact CG1-CG2 4.42Å; E63-I67 VanDerWaalsContact O-CG1 3.32Å; E63-I67 WeakPolarHBondContact O-CG1 3.47Å; E63-I67 PolarHBondContact O-N 3.37Å; Y64-I67 HydrophobicContact CD1-CD1 4.48Å; Y64-I67 PolarHBondContact O-N 3.38Å; I67-T70 PolarHBondContact O-N 3.14Å; I67-A71 WeakPolarHBondContact O-CB 3.29Å; I67-A71 PolarHBondContact O-N 3.29Å
68V98.5Very high96.4Very high0 Ų059.9 Ų59.90%032%0.32CS..Hα-helixtrans-63.7-45.4179.21690000111.7I11 A15 A36 A40 I41 Y64 V65 I66 T70 A71 A72I11-V68 HydrophobicContact CB-CG2 3.99Å; I11-V68 HydrophobicContact CD1-CG2 4.38Å; I11-V68 HydrophobicContact CG1-CG2 4.37Å; A15-V68 HydrophobicContact CB-CB 4.21Å; A15-V68 HydrophobicContact CB-CG1 3.7Å; A15-V68 HydrophobicContact CB-CG2 4.28Å; A36-V68 HydrophobicContact CB-CG1 4.2Å; A40-V68 HydrophobicContact CB-CG1 4.02Å; A40-V68 HydrophobicContact CB-CG2 3.63Å; I41-V68 HydrophobicContact CG2-CG2 4.37Å; Y64-V68 VanDerWaalsContact O-CG2 3.28Å; Y64-V68 WeakPolarHBondContact O-CG2 3.43Å; Y64-V68 PolarHBondContact O-N 3.46Å; V65-V68 PolarHBondContact O-N 2.92Å; I66-V68 PolarHBondContact O-N 3.18Å; V68-T70 VanDerWaalsContact C-N 3.33Å; V68-T70 PolarHBondContact O-N 2.75Å; V68-A71 PolarHBondContact O-N 2.63Å; V68-A72 WeakPolarHBondContact O-CB 3.3Å; V68-A72 PolarHBondContact O-N 3Å
69A98.5Very high96Very high25 Ų2556.2 Ų56.221%0.20731%0.309CS..Hα-helixtrans-61.5-42.5176.800000111.7I33 V65 I66 A72 V73I33-A69 HydrophobicContact CG2-CB 3.96Å; V65-A69 WeakPolarHBondContact O-CB 3.48Å; V65-A69 PolarHBondContact O-N 2.75Å; I66-A69 PolarHBondContact O-N 3.32Å; A69-A72 WeakPolarHBondContact O-CB 3.41Å; A69-A72 PolarHBondContact O-N 3.08Å; A69-V73 WeakPolarHBondContact O-CG2 3.17Å; A69-V73 PolarHBondContact O-N 2.68Å
70T98.4Very high95.2Very high74 Ų7457.8 Ų57.845%0.45432%0.321SS..Hα-helixtrans-63.2-48.4177-55.10000110.9I66 I67 V68 A72 V73 L74I66-T70 WeakPolarHBondContact O-CB 3.5Å; I66-T70 PolarHBondContact O-N 2.85Å; I66-T70 PolarHBondContact O-OG1 3.42Å; I67-T70 PolarHBondContact O-N 3.14Å; V68-T70 VanDerWaalsContact C-N 3.33Å; V68-T70 PolarHBondContact O-N 2.75Å; T70-A72 VanDerWaalsContact C-N 3.27Å; T70-A72 PolarHBondContact O-N 2.92Å; T70-V73 PolarHBondContact O-N 3.25Å; T70-L74 HydrophobicContact CG2-CD1 3.98Å; T70-L74 HydrophobicContact CG2-CG 4.35Å; T70-L74 WeakPolarHBondContact O-CB 3.37Å; T70-L74 VanDerWaalsContact O-CG 3.32Å; T70-L74 WeakPolarHBondContact O-CG 3.28Å; T70-L74 PolarHBondContact O-N 3.44Å
71A97.8Very high94.5Very high9 Ų956.6 Ų56.67%0.07433%0.325CS..Hα-helixtrans-59.6-39.1176.800000111.7T12 A15 I67 V68 T75T12-A71 HydrophobicContact CG2-CB 4.02Å; A15-A71 HydrophobicContact CB-CB 3.86Å; I67-A71 WeakPolarHBondContact O-CB 3.29Å; I67-A71 PolarHBondContact O-N 3.29Å; V68-A71 PolarHBondContact O-N 2.63Å; A71-T75 VanDerWaalsContact O-CB 3.3Å; A71-T75 WeakPolarHBondContact O-CB 3.46Å; A71-T75 PolarHBondContact O-N 2.98Å; A71-T75 PolarHBondContact O-OG1 2.96Å
72A97.9Very high93.5Very high0 Ų056.2 Ų56.20%032%0.324CS..Hα-helixtrans-63.1-48.2177.200000112.1A19 V32 I33 A36 V68 A69 T70 T75 T76A19-A72 HydrophobicContact CB-CB 4.19Å; V32-A72 HydrophobicContact CG1-CB 4.19Å; I33-A72 HydrophobicContact CG1-CB 4.32Å; A36-A72 HydrophobicContact CB-CB 3.5Å; A36-A72 VanDerWaalsContact CB-CB 3.5Å; V68-A72 WeakPolarHBondContact O-CB 3.3Å; V68-A72 PolarHBondContact O-N 3Å; A69-A72 WeakPolarHBondContact O-CB 3.41Å; A69-A72 PolarHBondContact O-N 3.08Å; T70-A72 VanDerWaalsContact C-N 3.27Å; T70-A72 PolarHBondContact O-N 2.92Å; A72-T75 WeakPolarHBondContact O-CB 3.43Å; A72-T75 PolarHBondContact O-N 3.41Å; A72-T76 PolarHBondContact O-N 3.44Å; A72-T76 VanDerWaalsContact O-N 3.12Å
73V97.5Very high92.3Very high52 Ų5257.7 Ų57.732%0.31533%0.334SS..Hα-helixtrans-65.8-43.4177.6173.90000111.6T29 I33 A69 T70 T75 T76 I77T29-V73 HydrophobicContact CG2-CG2 4.19Å; I33-V73 HydrophobicContact CD1-CG2 4.02Å; I33-V73 HydrophobicContact CG1-CG2 4.26Å; A69-V73 WeakPolarHBondContact O-CG2 3.17Å; A69-V73 PolarHBondContact O-N 2.68Å; T70-V73 PolarHBondContact O-N 3.25Å; V73-T75 PolarHBondContact O-N 3.26Å; V73-T76 PolarHBondContact O-N 3.05Å; V73-T76 PolarHBondContact O-OG1 2.9Å; V73-I77 HydrophobicContact CG1-CD1 4.23Å; V73-I77 WeakPolarHBondContact O-CG1 3.36Å; V73-I77 PolarHBondContact O-N 2.82Å
74L96.1Very high91.6Very high98 Ų9860.9 Ų60.951%0.51334%0.343SS..Hα-helixtrans-61.7-37.8175.8-70.3176.3000111.4T70 T76 I77 V78T70-L74 HydrophobicContact CG2-CD1 3.98Å; T70-L74 HydrophobicContact CG2-CG 4.35Å; T70-L74 WeakPolarHBondContact O-CB 3.37Å; T70-L74 VanDerWaalsContact O-CG 3.32Å; T70-L74 WeakPolarHBondContact O-CG 3.28Å; T70-L74 PolarHBondContact O-N 3.44Å; L74-T76 PolarHBondContact O-N 3Å; L74-I77 PolarHBondContact O-N 3.46Å; L74-V78 WeakPolarHBondContact O-CG2 3.03Å; L74-V78 PolarHBondContact O-N 3.22Å
75T94.1Very high90.9Very high7 Ų762.7 Ų62.74%0.04335%0.354CS..Hα-helixtrans-63.3-39.4176.5-58.90000112M16 A19 L20 A71 A72 V73 I77 V78 A79M16-T75 HydrophobicContact CB-CG2 4.33Å; M16-T75 VanDerWaalsContact CG-OG1 3.28Å; M16-T75 WeakPolarHBondContact CG-OG1 3.41Å; A19-T75 HydrophobicContact CB-CG2 3.89Å; L20-T75 HydrophobicContact CD2-CG2 3.67Å; L20-T75 HydrophobicContact CG-CG2 3.72Å; A71-T75 VanDerWaalsContact O-CB 3.3Å; A71-T75 WeakPolarHBondContact O-CB 3.46Å; A71-T75 PolarHBondContact O-N 2.98Å; A71-T75 PolarHBondContact O-OG1 2.96Å; A72-T75 WeakPolarHBondContact O-CB 3.43Å; A72-T75 PolarHBondContact O-N 3.41Å; V73-T75 PolarHBondContact O-N 3.26Å; T75-I77 VanDerWaalsContact C-N 3.3Å; T75-I77 PolarHBondContact O-N 3.4Å; T75-V78 PolarHBondContact O-N 2.94Å; T75-A79 WeakPolarHBondContact O-CA 3.49Å; T75-A79 WeakPolarHBondContact O-CB 3.38Å; T75-A79 PolarHBondContact O-N 2.87Å
76T91.6Very high90.2Very high50 Ų5069.2 Ų69.231%0.30737%0.373SS..Hα-helixtrans-67.7-32.4178.558.60000112.7V32 A72 V73 L74 P80V32-T76 HydrophobicContact CB-CG2 4.3Å; V32-T76 HydrophobicContact CG1-CG2 3.57Å; V32-T76 HydrophobicContact CG2-CG2 4.05Å; A72-T76 PolarHBondContact O-N 3.44Å; A72-T76 VanDerWaalsContact O-N 3.12Å; V73-T76 PolarHBondContact O-N 3.05Å; V73-T76 PolarHBondContact O-OG1 2.9Å; L74-T76 PolarHBondContact O-N 3Å; T76-P80 VanDerWaalsContact O-CD 3.22Å; T76-P80 WeakPolarHBondContact O-CD 3.31Å
77I92Very high89.7Confident113 Ų11370.6 Ų70.658%0.57938%0.375SS*.Hα-helixtrans-71.3-42.1176.3-62.7167.6000110.8V73 L74 T75 P80V73-I77 HydrophobicContact CG1-CD1 4.23Å; V73-I77 WeakPolarHBondContact O-CG1 3.36Å; V73-I77 PolarHBondContact O-N 2.82Å; L74-I77 PolarHBondContact O-N 3.46Å; T75-I77 VanDerWaalsContact C-N 3.3Å; T75-I77 PolarHBondContact O-N 3.4Å; I77-P80 WeakPolarHBondContact O-CD 3.43Å
78V89.1Confident89Confident68 Ų6870 Ų7041%0.41237%0.374SS..Hα-helixtrans-83.3-27.4-175.4-176.70000111.6L74 T75 P80 V81 M82L74-V78 WeakPolarHBondContact O-CG2 3.03Å; L74-V78 PolarHBondContact O-N 3.22Å; T75-V78 PolarHBondContact O-N 2.94Å; V78-P80 VanDerWaalsContact C-CD 3.48Å; V78-V81 HydrophobicContact CG1-CG2 4.22Å; V78-V81 WeakPolarHBondContact O-CG2 3.3Å; V78-V81 PolarHBondContact O-N 3.1Å; V78-V81 VanDerWaalsContact O-N 3.12Å; V78-M82 HydrophobicContact CB-SD 4.43Å; V78-M82 HydrophobicContact CG1-CG 3.89Å; V78-M82 HydrophobicContact CG1-SD 3.62Å; V78-M82 WeakPolarHBondContact O-CG 3.26Å
79A86Confident88.5Confident16 Ų1670.5 Ų70.513%0.13238%0.376CS..G310 helixtrans-55.4-42.4-174.400000115.1L20 T75 V81 M82 L85L20-A79 HydrophobicContact CD2-CB 3.68Å; T75-A79 WeakPolarHBondContact O-CA 3.49Å; T75-A79 WeakPolarHBondContact O-CB 3.38Å; T75-A79 PolarHBondContact O-N 2.87Å; A79-V81 PolarHBondContact O-N 3.23Å; A79-M82 PolarHBondContact O-N 3.21Å; A79-L85 HydrophobicContact CB-CD1 4.17Å; A79-L85 HydrophobicContact CB-CD2 4.13Å; A79-L85 WeakPolarHBondContact O-CD1 3.14Å
80P81.5Confident88Confident111 Ų11171 Ų7172%0.72138%0.375SS*.G310 helixtrans-60.9-27.5179.5-24.835.1000114.3T76 I77 V78T76-P80 VanDerWaalsContact O-CD 3.22Å; T76-P80 WeakPolarHBondContact O-CD 3.31Å; I77-P80 WeakPolarHBondContact O-CD 3.43Å; V78-P80 VanDerWaalsContact C-CD 3.48Å
81V82.2Confident87.6Confident113 Ų11370.4 Ų70.469%0.68537%0.371SS*.G310 helixtrans-92.1-1.7-178.2-60.70000113.2V78 A79 P83V78-V81 HydrophobicContact CG1-CG2 4.22Å; V78-V81 WeakPolarHBondContact O-CG2 3.3Å; V78-V81 PolarHBondContact O-N 3.1Å; V78-V81 VanDerWaalsContact O-N 3.12Å; A79-V81 PolarHBondContact O-N 3.23Å; V81-P83 WeakPolarHBondContact O-CD 3.43Å
82M74.4Confident87.3Confident50 Ų5071.4 Ų71.425%0.24638%0.375CS..  trans-96.9103.2-176-70175.28200111.6V78 A79 Y84 L85 V88V78-M82 HydrophobicContact CB-SD 4.43Å; V78-M82 HydrophobicContact CG1-CG 3.89Å; V78-M82 HydrophobicContact CG1-SD 3.62Å; V78-M82 WeakPolarHBondContact O-CG 3.26Å; A79-M82 PolarHBondContact O-N 3.21Å; M82-Y84 PolarHBondContact O-N 3.04Å; M82-Y84 VanDerWaalsContact O-N 3.15Å; M82-L85 HydrophobicContact CB-CD2 3.6Å; M82-L85 HydrophobicContact CB-CG 3.85Å; M82-L85 HydrophobicContact CE-CD2 4.3Å; M82-L85 HydrophobicContact CG-CD2 4.29Å; M82-L85 WeakPolarHBondContact O-CG 3.42Å; M82-L85 HydrophobicContact SD-CD2 3.76Å; M82-V88 HydrophobicContact CE-CB 4.06Å; M82-V88 HydrophobicContact CE-CG1 3.85Å; M82-V88 HydrophobicContact CE-CG2 3.76Å
83P73Confident87Confident108 Ų10871.4 Ų71.470%0.70138%0.375SS*.THydrogen-bonded Turntrans-65.2-22.2179.124.3-33.5000113.3V81V81-P83 WeakPolarHBondContact O-CD 3.43Å
84Y82.1Confident86.8Confident152 Ų15268.9 Ų68.960%0.59636%0.36SS*.THydrogen-bonded Turntrans-111.432.1-173.3-53.6-64.6000114.2M82 R86 K87 V88M82-Y84 PolarHBondContact O-N 3.04Å; M82-Y84 VanDerWaalsContact O-N 3.15Å; Y84-R86 PolarHBondContact O-N 3.48Å; Y84-K87 PolarHBondContact O-N 2.89Å; Y84-V88 PolarHBondContact O-N 3.5Å; Y84-V88 VanDerWaalsContact O-N 3.12Å
85L83.9Confident86.8Confident53 Ų5366.2 Ų66.228%0.27735%0.346SS..Hα-helixtrans-47.1-39.7-178.9-81.1-178.8000114.2L20 A79 M82 F89L20-L85 HydrophobicContact CD1-CD2 4.04Å; L20-L85 HydrophobicContact CD2-CD1 4.22Å; L20-L85 HydrophobicContact CD2-CD2 3.43Å; L20-L85 VanDerWaalsContact CD2-CD2 3.43Å; L20-L85 HydrophobicContact CD2-CG 4.36Å; L20-L85 HydrophobicContact CG-CD2 4.39Å; A79-L85 HydrophobicContact CB-CD1 4.17Å; A79-L85 HydrophobicContact CB-CD2 4.13Å; A79-L85 WeakPolarHBondContact O-CD1 3.14Å; M82-L85 HydrophobicContact CB-CD2 3.6Å; M82-L85 HydrophobicContact CB-CG 3.85Å; M82-L85 HydrophobicContact CE-CD2 4.3Å; M82-L85 HydrophobicContact CG-CD2 4.29Å; M82-L85 WeakPolarHBondContact O-CG 3.42Å; M82-L85 HydrophobicContact SD-CD2 3.76Å; L85-F89 WeakPolarHBondContact O-CB 3.46Å; L85-F89 PolarHBondContact O-N 3.38Å
86R83.6Confident86.9Confident184 Ų18465.9 Ų65.969%0.69434%0.343SS*.Hα-helixtrans-64.8-42.6178.9-175.9178.5176.7176.51.2112.6Y84 L90Y84-R86 PolarHBondContact O-N 3.48Å; R86-L90 HydrophobicContact CG-CD1 4.39Å; R86-L90 WeakPolarHBondContact O-CG 3.49Å; R86-L90 PolarHBondContact O-N 3.13Å; R86-L90 VanDerWaalsContact O-N 3.15Å
87K86.6Confident87.2Confident143 Ų14363.5 Ų63.562%0.62233%0.329SS*.Hα-helixtrans-68.5-43.9179.7-70.8-178.6-175.21740110.4Y84 L90 V91Y84-K87 PolarHBondContact O-N 2.89Å; K87-L90 PolarHBondContact O-N 3.01Å; K87-V91 WeakPolarHBondContact O-CG2 3.25Å; K87-V91 PolarHBondContact O-N 2.81Å
88V84.8Confident87.4Confident44 Ų4458.1 Ų58.127%0.26730%0.301SS..Hα-helixtrans-61.2-46.8177.8177.80000110.7M82 Y84 L90 V91 L92M82-V88 HydrophobicContact CE-CB 4.06Å; M82-V88 HydrophobicContact CE-CG1 3.85Å; M82-V88 HydrophobicContact CE-CG2 3.76Å; Y84-V88 PolarHBondContact O-N 3.5Å; Y84-V88 VanDerWaalsContact O-N 3.12Å; V88-L90 VanDerWaalsContact C-N 3.32Å; V88-L90 PolarHBondContact O-N 3.18Å; V88-V91 PolarHBondContact O-N 3.22Å; V88-L92 HydrophobicContact CG1-CD1 3.65Å; V88-L92 HydrophobicContact CG1-CG 4.08Å; V88-L92 WeakPolarHBondContact O-CB 3.13Å; V88-L92 VanDerWaalsContact O-CG 3.32Å; V88-L92 WeakPolarHBondContact O-CG 3.31Å; V88-L92 PolarHBondContact O-N 3.07Å
89F87.2Confident87.9Confident11 Ų1154.9 Ų54.95%0.04828%0.282CS..Hα-helixtrans-50.9-51.1173.6173.4-85.3000111.8T17 L20 L85 V91 L92 D93 L142T17-F89 HydrophobicContact CG2-CD2 4.24Å; T17-F89 HydrophobicContact CG2-CE2 4.41Å; T17-F89 WeakPolarHBondContact O-CE2 3.46Å; L20-F89 HydrophobicContact CB-CD2 4.31Å; L20-F89 HydrophobicContact CD1-CB 4.18Å; L20-F89 HydrophobicContact CD1-CD2 4.49Å; L85-F89 WeakPolarHBondContact O-CB 3.46Å; L85-F89 PolarHBondContact O-N 3.38Å; F89-V91 VanDerWaalsContact C-N 3.35Å; F89-V91 PolarHBondContact O-N 3.48Å; F89-L92 PolarHBondContact O-N 2.88Å; F89-D93 WeakPolarHBondContact O-CB 3.49Å; F89-D93 PolarHBondContact O-N 2.8Å; F89-L142 HydrophobicContact CE1-CD1 4.21Å; F89-L142 HydrophobicContact CZ-CD1 4.49Å
90L87.5Confident88.5Confident35 Ų3554.7 Ų54.718%0.18328%0.278CS..Hα-helixtrans-66.6-34.7-177.2-71173.5000113.3R86 K87 V88 A94 L189R86-L90 HydrophobicContact CG-CD1 4.39Å; R86-L90 WeakPolarHBondContact O-CG 3.49Å; R86-L90 PolarHBondContact O-N 3.13Å; R86-L90 VanDerWaalsContact O-N 3.15Å; K87-L90 PolarHBondContact O-N 3.01Å; V88-L90 VanDerWaalsContact C-N 3.32Å; V88-L90 PolarHBondContact O-N 3.18Å; L90-A94 VanDerWaalsContact O-CB 3.25Å; L90-A94 WeakPolarHBondContact O-CB 3.44Å; L90-A94 PolarHBondContact O-N 3.34Å; L90-L189 HydrophobicContact CB-CD1 4Å; L90-L189 HydrophobicContact CD1-CD2 4.38Å; L90-L189 HydrophobicContact CD2-CD1 4.26Å; L90-L189 HydrophobicContact CD2-CD2 3.92Å
91V91.4Very high89.3Confident61 Ų6149.4 Ų49.437%0.3724%0.244SC..Hα-helixtrans-71.5-44.2177.6171.70000110.9K87 V88 F89 A94 L95 F182 L186K87-V91 WeakPolarHBondContact O-CG2 3.25Å; K87-V91 PolarHBondContact O-N 2.81Å; V88-V91 PolarHBondContact O-N 3.22Å; F89-V91 VanDerWaalsContact C-N 3.35Å; F89-V91 PolarHBondContact O-N 3.48Å; V91-A94 PolarHBondContact O-N 3.25Å; V91-L95 PolarHBondContact O-N 2.94Å; V91-F182 HydrophobicContact CG1-CE2 4.05Å; V91-F182 HydrophobicContact CG1-CZ 3.92Å; V91-L186 HydrophobicContact CG2-CD2 4.04Å
92L91.2Very high90.1Very high30 Ų3044 Ų4416%0.15721%0.211CC..Hα-helixtrans-64.6-43.9177.6-68.8176.2000111.6A13 M16 T17 V88 F89 A94 L95 G96A13-L92 HydrophobicContact CB-CB 4.16Å; A13-L92 HydrophobicContact CB-CD2 3.97Å; M16-L92 HydrophobicContact CB-CD1 3.83Å; M16-L92 HydrophobicContact CE-CD1 3.8Å; M16-L92 HydrophobicContact CG-CD1 4.39Å; M16-L92 HydrophobicContact SD-CD1 3.71Å; M16-L92 HydrophobicContact SD-CD2 4.49Å; T17-L92 HydrophobicContact CG2-CB 3.85Å; V88-L92 HydrophobicContact CG1-CD1 3.65Å; V88-L92 HydrophobicContact CG1-CG 4.08Å; V88-L92 WeakPolarHBondContact O-CB 3.13Å; V88-L92 VanDerWaalsContact O-CG 3.32Å; V88-L92 WeakPolarHBondContact O-CG 3.31Å; V88-L92 PolarHBondContact O-N 3.07Å; F89-L92 PolarHBondContact O-N 2.88Å; L92-A94 VanDerWaalsContact C-N 3.35Å; L92-A94 PolarHBondContact O-N 3.35Å; L92-L95 WeakPolarHBondContact O-CB 3.34Å; L92-L95 PolarHBondContact O-N 3.24Å; L92-G96 PolarHBondContact O-N 3.42Å
93D91.1Very high91.2Very high0 Ų042.4 Ų42.40%020%0.203CC..Hα-helixtrans-62.8-39.6176-17890.9000111.2T17 F89 L95 L97 R133 Y149T17-D93 HydrophobicContact CG2-CB 3.88Å; F89-D93 WeakPolarHBondContact O-CB 3.49Å; F89-D93 PolarHBondContact O-N 2.8Å; D93-L95 PolarHBondContact O-N 2.89Å; D93-L97 WeakPolarHBondContact O-CB 3.4Å; D93-L97 PolarHBondContact O-N 2.9Å; D93-R133 IonicContact OD1-CZ 3.98Å; D93-R133 IonicContact OD1-NH1 3.78Å; D93-R133 PolarHBondContact OD1-NH1 3.17Å; D93-R133 IonicContact OD1-NH2 2.92Å; D93-R133 PolarHBondContact OD1-NH2 3.05Å; D93-Y149 WeakPolarHBondContact OD2-CE2 3.42Å
94A94.4Very high92.5Very high0 Ų037.3 Ų37.30%017%0.17CC..Hα-helixtrans-63.9-39.6173.400000113.2L90 V91 L92 V98 F182 R185 L186L90-A94 VanDerWaalsContact O-CB 3.25Å; L90-A94 WeakPolarHBondContact O-CB 3.44Å; L90-A94 PolarHBondContact O-N 3.34Å; V91-A94 PolarHBondContact O-N 3.25Å; L92-A94 VanDerWaalsContact C-N 3.35Å; L92-A94 PolarHBondContact O-N 3.35Å; A94-V98 WeakPolarHBondContact O-CG2 3.16Å; A94-V98 PolarHBondContact O-N 3.5Å; A94-F182 HydrophobicContact CB-CD2 4.16Å; A94-F182 HydrophobicContact CB-CE2 4.29Å; A94-R185 HydrophobicContact CB-CB 3.85Å; A94-R185 HydrophobicContact CB-CG 3.39Å; A94-L186 HydrophobicContact CB-CD2 4.38Å
95L95.9Very high93.3Very high41 Ų4130 Ų3022%0.21514%0.142CC..Hα-helixtrans-67.5-50177.5-178.466.4000111V9 V91 L92 D93 L97 V98 V99 L178 F182V9-L95 HydrophobicContact CG1-CD2 3.73Å; V91-L95 PolarHBondContact O-N 2.94Å; L92-L95 WeakPolarHBondContact O-CB 3.34Å; L92-L95 PolarHBondContact O-N 3.24Å; D93-L95 PolarHBondContact O-N 2.89Å; L95-L97 PolarHBondContact O-N 3.38Å; L95-V98 PolarHBondContact O-N 3.17Å; L95-V99 HydrophobicContact CD1-CG2 4.33Å; L95-V99 WeakPolarHBondContact O-CB 3.33Å; L95-V99 WeakPolarHBondContact O-CG2 3.37Å; L95-V99 PolarHBondContact O-N 3.01Å; L95-L178 HydrophobicContact CD1-CD1 4.06Å; L95-F182 HydrophobicContact CB-CD2 4.23Å; L95-F182 HydrophobicContact CB-CE2 4.17Å; L95-F182 HydrophobicContact CD1-CD2 4.41Å
96G96.3Very high93.9Very high0 Ų028.5 Ų28.50%013%0.133CC..Hα-helixtrans-57.4-49.3178.300000112L92 V98 V99 F100L92-G96 PolarHBondContact O-N 3.42Å; G96-V98 VanDerWaalsContact C-N 3.31Å; G96-V98 PolarHBondContact O-N 3.14Å; G96-V99 PolarHBondContact O-N 3.13Å; G96-F100 WeakPolarHBondContact O-CB 3.29Å; G96-F100 WeakPolarHBondContact O-CD2 3.47Å; G96-F100 WeakPolarHBondContact O-CG 3.35Å; G96-F100 PolarHBondContact O-N 3.22Å
97L96.1Very high94.6Very high0 Ų020.8 Ų20.80%011%0.106CC..Hα-helixtrans-47.5-51.1176.417764.2000112.7D93 L95 S101 G126 V127 Y149 V152 R185D93-L97 WeakPolarHBondContact O-CB 3.4Å; D93-L97 PolarHBondContact O-N 2.9Å; L95-L97 PolarHBondContact O-N 3.38Å; L97-S101 WeakPolarHBondContact O-CB 3.33Å; L97-S101 PolarHBondContact O-N 3.41Å; L97-S101 PolarHBondContact O-OG 3.39Å; L97-G126 WeakPolarHBondContact CD1-O 3.15Å; L97-V127 HydrophobicContact CD1-CG2 4.14Å; L97-Y149 HydrophobicContact CB-CE2 4.26Å; L97-Y149 HydrophobicContact CD1-CD1 4.12Å; L97-Y149 HydrophobicContact CD1-CE1 3.63Å; L97-Y149 HydrophobicContact CD1-CE2 4.08Å; L97-Y149 HydrophobicContact CD2-CD2 3.81Å; L97-Y149 HydrophobicContact CD2-CE2 3.75Å; L97-Y149 HydrophobicContact CD2-CG 4.22Å; L97-Y149 HydrophobicContact CG-CE2 4.24Å; L97-V152 HydrophobicContact CD2-CB 4.34Å; L97-V152 HydrophobicContact CD2-CG1 4.27Å; L97-R185 HydrophobicContact CD2-CG 4.43Å
98V98.2Very high95.2Very high0 Ų014 Ų140%08%0.076CC..Hα-helixtrans-77.2-44-172.6-1790000110.9A94 L95 G96 F100 S101 I102 V152 L178 G181A94-V98 WeakPolarHBondContact O-CG2 3.16Å; A94-V98 PolarHBondContact O-N 3.5Å; L95-V98 PolarHBondContact O-N 3.17Å; G96-V98 VanDerWaalsContact C-N 3.31Å; G96-V98 PolarHBondContact O-N 3.14Å; V98-F100 VanDerWaalsContact C-N 3.31Å; V98-F100 PolarHBondContact O-N 3.09Å; V98-S101 WeakPolarHBondContact O-CB 3.49Å; V98-S101 PolarHBondContact O-N 2.87Å; V98-I102 HydrophobicContact CG1-CD1 4.19Å; V98-I102 WeakPolarHBondContact O-CG1 3.2Å; V98-I102 PolarHBondContact O-N 3.11Å; V98-V152 HydrophobicContact CG2-CG1 4.21Å; V98-L178 HydrophobicContact CB-CD1 4.19Å; V98-L178 HydrophobicContact CG1-CD1 3.95Å; V98-G181 VanDerWaalsContact CG2-C 3.41Å
99V98.4Very high95.8Very high1 Ų114.1 Ų14.11%0.0068%0.076CC..Hα-helixtrans-54.8-49.2174.41650000110.6L6 L95 G96 S101 I102 I103 L178L6-V99 HydrophobicContact CB-CG1 3.94Å; L6-V99 HydrophobicContact CB-CG2 4.34Å; L6-V99 HydrophobicContact CD2-CG2 4.38Å; L6-V99 WeakPolarHBondContact O-CG1 3.44Å; L95-V99 HydrophobicContact CD1-CG2 4.33Å; L95-V99 WeakPolarHBondContact O-CB 3.33Å; L95-V99 WeakPolarHBondContact O-CG2 3.37Å; L95-V99 PolarHBondContact O-N 3.01Å; G96-V99 PolarHBondContact O-N 3.13Å; V99-S101 VanDerWaalsContact C-N 3.34Å; V99-S101 PolarHBondContact O-N 3.45Å; V99-I102 PolarHBondContact O-N 2.79Å; V99-I103 HydrophobicContact CG1-CD1 3.7Å; V99-I103 VanDerWaalsContact O-CG1 3.3Å; V99-I103 WeakPolarHBondContact O-CG1 3.44Å; V99-I103 PolarHBondContact O-N 2.97Å; V99-L178 HydrophobicContact CG2-CD1 3.65Å
100F98.6Very high96.3Very high11 Ų1119 Ų195%0.04810%0.103CC..Hα-helixtrans-71.7-28.3-179.2-73.6-47.2000113.4Y7 I11 E14 A40 G96 V98 I103 G104 T125Y7-F100 AromaticContact CD2-CE1 3.97Å; Y7-F100 HydrophobicContact CD2-CE1 3.97Å; Y7-F100 HydrophobicContact CE2-CE1 4.01Å; I11-F100 HydrophobicContact CB-CZ 4.46Å; I11-F100 HydrophobicContact CG2-CE1 4.12Å; I11-F100 HydrophobicContact CG2-CZ 3.73Å; E14-F100 HydrophobicContact CB-CE2 4.23Å; E14-F100 HydrophobicContact CG-CD2 4.09Å; E14-F100 HydrophobicContact CG-CE2 3.57Å; A40-F100 WeakPolarHBondContact O-CZ 3.32Å; G96-F100 WeakPolarHBondContact O-CB 3.29Å; G96-F100 WeakPolarHBondContact O-CD2 3.47Å; G96-F100 WeakPolarHBondContact O-CG 3.35Å; G96-F100 PolarHBondContact O-N 3.22Å; V98-F100 VanDerWaalsContact C-N 3.31Å; V98-F100 PolarHBondContact O-N 3.09Å; F100-I103 HydrophobicContact CD1-CD1 4.38Å; F100-G104 PolarHBondContact O-N 3.22Å; F100-T125 HydrophobicContact CB-CG2 3.9Å; F100-T125 HydrophobicContact CD1-CG2 4.31Å; F100-T125 HydrophobicContact CG-CG2 4.41Å; F100-T125 WeakPolarHBondContact O-CB 3.48Å; F100-T125 WeakPolarHBondContact O-CG2 3.28Å
101S98.7Very high96.8Very high0 Ų020.4 Ų20.40%011%0.109CC..Hα-helixtrans-63.5-46.3170.3-58.30000111.1L97 V98 V99 G104 A105 A122 S153L97-S101 WeakPolarHBondContact O-CB 3.33Å; L97-S101 PolarHBondContact O-N 3.41Å; L97-S101 PolarHBondContact O-OG 3.39Å; V98-S101 WeakPolarHBondContact O-CB 3.49Å; V98-S101 PolarHBondContact O-N 2.87Å; V99-S101 VanDerWaalsContact C-N 3.34Å; V99-S101 PolarHBondContact O-N 3.45Å; S101-G104 PolarHBondContact O-N 2.92Å; S101-A105 PolarHBondContact O-N 2.88Å; S101-A122 WeakPolarHBondContact O-CA 3.44Å; S101-A122 WeakPolarHBondContact O-CB 3.4Å; S101-S153 WeakPolarHBondContact OG-CA 3.18Å; S101-S153 WeakPolarHBondContact OG-CB 3.33Å; S101-S153 PolarHBondContact OG-OG 3.49Å
102I98.7Very high97.1Very high1 Ų120.7 Ų20.71%0.00512%0.124CC..Hα-helixtrans-59.8-49.4176.2-68.4166.2000110.6L3 V98 V99 G104 A105 Q106 Y160 I174 T177 L178L3-I102 HydrophobicContact CD2-CG2 3.81Å; V98-I102 HydrophobicContact CG1-CD1 4.19Å; V98-I102 WeakPolarHBondContact O-CG1 3.2Å; V98-I102 PolarHBondContact O-N 3.11Å; V99-I102 PolarHBondContact O-N 2.79Å; I102-G104 VanDerWaalsContact C-N 3.34Å; I102-G104 PolarHBondContact O-N 3.31Å; I102-A105 PolarHBondContact O-N 2.86Å; I102-Q106 WeakPolarHBondContact O-CB 3.27Å; I102-Q106 PolarHBondContact O-N 3.44Å; I102-Y160 HydrophobicContact CG1-CD2 4.25Å; I102-Y160 HydrophobicContact CG2-CD2 3.97Å; I102-Y160 HydrophobicContact CG2-CE1 4.43Å; I102-Y160 HydrophobicContact CG2-CE2 3.58Å; I102-I174 HydrophobicContact CG2-CG1 4.36Å; I102-T177 HydrophobicContact CD1-CG2 3.83Å; I102-T177 HydrophobicContact CG1-CG2 3.73Å; I102-L178 HydrophobicContact CD1-CB 4.14Å
103I98.5Very high97.4Very high16 Ų1622.5 Ų22.58%0.08213%0.131CC..Hα-helixtrans-64.3-40.2-179.1-66.4170.9000111.2L3 Y7 V99 F100 Q106 V107L3-I103 HydrophobicContact CD2-CG1 4.26Å; Y7-I103 HydrophobicContact CD2-CD1 3.87Å; Y7-I103 HydrophobicContact CG-CD1 4.34Å; V99-I103 HydrophobicContact CG1-CD1 3.7Å; V99-I103 VanDerWaalsContact O-CG1 3.3Å; V99-I103 WeakPolarHBondContact O-CG1 3.44Å; V99-I103 PolarHBondContact O-N 2.97Å; F100-I103 HydrophobicContact CD1-CD1 4.38Å; I103-Q106 PolarHBondContact O-N 3.15Å; I103-V107 HydrophobicContact CG2-CG2 4.38Å; I103-V107 WeakPolarHBondContact O-CG2 3.34Å; I103-V107 PolarHBondContact O-N 2.88Å
104G98.6Very high97.7Very high0 Ų024.4 Ų24.40%015%0.151CC..Hα-helixtrans-62.7-43.7176.200000112.8F100 S101 I102 A108 A121 T125F100-G104 PolarHBondContact O-N 3.22Å; S101-G104 PolarHBondContact O-N 2.92Å; I102-G104 VanDerWaalsContact C-N 3.34Å; I102-G104 PolarHBondContact O-N 3.31Å; G104-A108 PolarHBondContact O-N 3.43Å; G104-A121 VanDerWaalsContact O-CB 3.32Å; G104-A121 WeakPolarHBondContact O-CB 3.37Å; G104-T125 WeakPolarHBondContact CA-OG1 3.5Å
105A98.7Very high97.8Very high0 Ų028.1 Ų28.10%018%0.176CC..Hα-helixtrans-60.6-48.9173.100000111S101 I102 V107 A108 L109 A118 A122 Y160S101-A105 PolarHBondContact O-N 2.88Å; I102-A105 PolarHBondContact O-N 2.86Å; A105-V107 PolarHBondContact O-N 3.46Å; A105-A108 PolarHBondContact O-N 2.88Å; A105-L109 VanDerWaalsContact O-CG 3.31Å; A105-L109 WeakPolarHBondContact O-CG 3.29Å; A105-L109 PolarHBondContact O-N 3.39Å; A105-A118 WeakPolarHBondContact CA-O 3.25Å; A105-A122 HydrophobicContact CB-CB 3.97Å; A105-Y160 HydrophobicContact CB-CD1 3.67Å; A105-Y160 HydrophobicContact CB-CE1 4.04Å
106Q98.2Very high98Very high21 Ų2132.6 Ų32.610%0.09820%0.198CC..Hα-helixtrans-60-47.2-177.5-173.361.129.700112.1L3 I102 I103 A108 L109 D110 Y160 H170L3-Q106 HydrophobicContact CD1-CB 4.32Å; L3-Q106 HydrophobicContact CD1-CG 3.82Å; I102-Q106 WeakPolarHBondContact O-CB 3.27Å; I102-Q106 PolarHBondContact O-N 3.44Å; I103-Q106 PolarHBondContact O-N 3.15Å; Q106-A108 VanDerWaalsContact C-N 3.32Å; Q106-A108 PolarHBondContact O-N 3.22Å; Q106-L109 PolarHBondContact O-N 3.03Å; Q106-D110 WeakPolarHBondContact CG-OD2 3.2Å; Q106-D110 PolarHBondContact NE2-OD1 2.98Å; Q106-D110 PolarHBondContact NE2-OD2 2.81Å; Q106-D110 WeakPolarHBondContact O-CB 3.35Å; Q106-D110 PolarHBondContact O-N 3.28Å; Q106-Y160 HydrophobicContact CB-CE1 4.29Å; Q106-Y160 PolarHBondContact OE1-OH 2.9Å; Q106-H170 PolarHBondContact OE1-CE1 3.19Å
107V98.2Very high98.1Very high21 Ų2136 Ų3613%0.12722%0.216CC..Hα-helixtrans-58.5-44.7179.4168.70000111.3I103 A105 D110 M111I103-V107 HydrophobicContact CG2-CG2 4.38Å; I103-V107 WeakPolarHBondContact O-CG2 3.34Å; I103-V107 PolarHBondContact O-N 2.88Å; A105-V107 PolarHBondContact O-N 3.46Å; V107-D110 PolarHBondContact O-N 3.44Å; V107-M111 HydrophobicContact CG1-SD 4.04Å; V107-M111 VanDerWaalsContact O-CG 3.22Å; V107-M111 WeakPolarHBondContact O-CG 3.38Å; V107-M111 PolarHBondContact O-N 3.32Å
108A98.7Very high98.2Very high0 Ų036 Ų360%022%0.216CC..Hα-helixtrans-66.7-38.4178.600000112.9L51 G104 A105 Q106 M111 G112 H113 A118 A121L51-A108 HydrophobicContact CD1-CB 4.08Å; G104-A108 PolarHBondContact O-N 3.43Å; A105-A108 PolarHBondContact O-N 2.88Å; Q106-A108 VanDerWaalsContact C-N 3.32Å; Q106-A108 PolarHBondContact O-N 3.22Å; A108-M111 PolarHBondContact O-N 2.95Å; A108-G112 PolarHBondContact O-N 3.46Å; A108-H113 VanDerWaalsContact O-CB 3.29Å; A108-H113 WeakPolarHBondContact O-CB 3.1Å; A108-H113 PolarHBondContact O-N 3.36Å; A108-A118 HydrophobicContact CB-CB 4.16Å; A108-A121 HydrophobicContact CB-CB 3.55Å
109L97.9Very high98.2Very high47 Ų4737 Ų3725%0.24622%0.221CC..Hα-helixtrans-65.1-41.6174.3-68.3171.9000111.6A105 Q106 M111 G112 A118 Y160 I161A105-L109 VanDerWaalsContact O-CG 3.31Å; A105-L109 WeakPolarHBondContact O-CG 3.29Å; A105-L109 PolarHBondContact O-N 3.39Å; Q106-L109 PolarHBondContact O-N 3.03Å; L109-M111 PolarHBondContact O-N 3.42Å; L109-G112 WeakPolarHBondContact O-CA 3.22Å; L109-G112 PolarHBondContact O-N 2.97Å; L109-A118 HydrophobicContact CD2-CB 3.78Å; L109-A118 HydrophobicContact CG-CB 3.81Å; L109-Y160 HydrophobicContact CD1-CE1 4.43Å; L109-I161 HydrophobicContact CD1-CG1 4.34Å
110D97.1Very high98.2Very high115 Ų11540.7 Ų40.762%0.61524%0.244SC*.Hα-helixtrans-64.7-30176.9-70.2-19.7000112Q106 V107 G112Q106-D110 WeakPolarHBondContact CG-OD2 3.2Å; Q106-D110 PolarHBondContact NE2-OD1 2.98Å; Q106-D110 PolarHBondContact NE2-OD2 2.81Å; Q106-D110 WeakPolarHBondContact O-CB 3.35Å; Q106-D110 PolarHBondContact O-N 3.28Å; V107-D110 PolarHBondContact O-N 3.44Å; D110-G112 PolarHBondContact O-N 2.91Å
111M97.8Very high98.2Very high64 Ų6440.3 Ų40.332%0.31524%0.243SC..THydrogen-bonded Turntrans-75.30.5171.1-68175.572.500113.5L51 H53 V107 A108 L109 H113L51-M111 HydrophobicContact CB-CE 3.86Å; L51-M111 HydrophobicContact CB-SD 4.07Å; L51-M111 HydrophobicContact CD1-SD 4.15Å; L51-M111 VanDerWaalsContact O-CE 3.27Å; L51-M111 WeakPolarHBondContact O-CE 3.46Å; H53-M111 HydrophobicContact CB-CE 3.94Å; H53-M111 HydrophobicContact CB-SD 3.71Å; V107-M111 HydrophobicContact CG1-SD 4.04Å; V107-M111 VanDerWaalsContact O-CG 3.22Å; V107-M111 WeakPolarHBondContact O-CG 3.38Å; V107-M111 PolarHBondContact O-N 3.32Å; A108-M111 PolarHBondContact O-N 2.95Å; L109-M111 PolarHBondContact O-N 3.42Å; M111-H113 VanDerWaalsContact C-N 3.34Å
112G97.5Very high98.2Very high67 Ų6740.3 Ų40.369%0.69124%0.243SC*.THydrogen-bonded Turntrans7913.6179.900000114.1A108 L109 D110A108-G112 PolarHBondContact O-N 3.46Å; L109-G112 WeakPolarHBondContact O-CA 3.22Å; L109-G112 PolarHBondContact O-N 2.97Å; D110-G112 PolarHBondContact O-N 2.91Å
113H97.9Very high98.2Very high67 Ų6742 Ų4231%0.3125%0.253SS..  trans-76.9149.1176.3-62-57.7000112.1A108 M111 I117A108-H113 VanDerWaalsContact O-CB 3.29Å; A108-H113 WeakPolarHBondContact O-CB 3.1Å; A108-H113 PolarHBondContact O-N 3.36Å; M111-H113 VanDerWaalsContact C-N 3.34Å; H113-I117 HydrophobicContact CB-CB 3.85Å; H113-I117 HydrophobicContact CB-CG2 3.72Å
114G96.9Very high98.1Very high41 Ų4141.8 Ų41.842%0.42325%0.253SS..  trans-69.5171.9176.500000113.9I116 I117 A118G114-I116 VanDerWaalsContact C-N 3.28Å; G114-I116 PolarHBondContact O-N 2.92Å; G114-I116 VanDerWaalsContact O-N 3.17Å; G114-I117 PolarHBondContact O-N 2.91Å; G114-I117 VanDerWaalsContact O-N 3.16Å; G114-A118 PolarHBondContact O-N 3.26Å
115P97.9Very high98.1Very high78 Ų7842 Ų4251%0.50625%0.254SS..Hα-helixtrans-60-33.2-171.623.3-34.8000113.7A118 V119 I161P115-A118 PolarHBondContact O-N 2.92Å; P115-V119 WeakPolarHBondContact O-CG2 3.45Å; P115-V119 PolarHBondContact O-N 3.48Å; P115-I161 HydrophobicContact CB-CG2 4.05Å
116I98.4Very high98.1Very high134 Ų13442 Ų4269%0.68726%0.255SS*.Hα-helixtrans-62.6-50.1178.6-63.6172.3000110.7G114 A118 V119 V120G114-I116 VanDerWaalsContact C-N 3.28Å; G114-I116 PolarHBondContact O-N 2.92Å; G114-I116 VanDerWaalsContact O-N 3.17Å; I116-A118 VanDerWaalsContact C-N 3.29Å; I116-A118 PolarHBondContact O-N 2.9Å; I116-V119 PolarHBondContact O-N 3.3Å; I116-V120 WeakPolarHBondContact O-CG2 3.25Å; I116-V120 PolarHBondContact O-N 3.48Å
117I98.4Very high97.9Very high72 Ų7241.3 Ų41.337%0.36925%0.252SS..Hα-helixtrans-68.1-34179.4-60.7-58.4000110.5L51 H113 G114 V119 V120 A121L51-I117 HydrophobicContact CD2-CG2 3.93Å; H113-I117 HydrophobicContact CB-CB 3.85Å; H113-I117 HydrophobicContact CB-CG2 3.72Å; G114-I117 PolarHBondContact O-N 2.91Å; G114-I117 VanDerWaalsContact O-N 3.16Å; I117-V119 PolarHBondContact O-N 3.42Å; I117-V120 PolarHBondContact O-N 3.35Å; I117-A121 VanDerWaalsContact O-CB 3.29Å; I117-A121 WeakPolarHBondContact O-CB 3.45Å; I117-A121 PolarHBondContact O-N 3.4Å
118A98.7Very high97.9Very high0 Ų044 Ų440%026%0.262CS..Hα-helixtrans-61.3-41.7172.500000112.9A105 A108 L109 G114 P115 I116 A121 A122 I161A105-A118 WeakPolarHBondContact CA-O 3.25Å; A108-A118 HydrophobicContact CB-CB 4.16Å; L109-A118 HydrophobicContact CD2-CB 3.78Å; L109-A118 HydrophobicContact CG-CB 3.81Å; G114-A118 PolarHBondContact O-N 3.26Å; P115-A118 PolarHBondContact O-N 2.92Å; I116-A118 VanDerWaalsContact C-N 3.29Å; I116-A118 PolarHBondContact O-N 2.9Å; A118-A121 PolarHBondContact O-N 3.28Å; A118-A122 VanDerWaalsContact O-CB 3.32Å; A118-A122 WeakPolarHBondContact O-CB 3.36Å; A118-A122 PolarHBondContact O-N 3.47Å; A118-I161 HydrophobicContact CB-CD1 3.8Å
119V98.7Very high97.7Very high20 Ų2044.3 Ų44.312%0.12126%0.264CS..Hα-helixtrans-65.2-42.9173.5173.40000111.4P115 I116 I117 A121 A122 V123 F154 A157 V158 I161P115-V119 WeakPolarHBondContact O-CG2 3.45Å; P115-V119 PolarHBondContact O-N 3.48Å; I116-V119 PolarHBondContact O-N 3.3Å; I117-V119 PolarHBondContact O-N 3.42Å; V119-A121 VanDerWaalsContact C-N 3.33Å; V119-A121 PolarHBondContact O-N 2.98Å; V119-A122 WeakPolarHBondContact O-CB 2.86Å; V119-A122 PolarHBondContact O-N 2.97Å; V119-V123 HydrophobicContact CG1-CG2 4.4Å; V119-V123 WeakPolarHBondContact O-CG2 3.47Å; V119-V123 PolarHBondContact O-N 2.66Å; V119-F154 HydrophobicContact CG1-CD2 3.43Å; V119-F154 VanDerWaalsContact CG1-CD2 3.43Å; V119-F154 HydrophobicContact CG1-CE2 3.57Å; V119-F154 HydrophobicContact CG1-CG 4.46Å; V119-A157 HydrophobicContact CB-CB 4.48Å; V119-A157 HydrophobicContact CG1-CB 4.34Å; V119-A157 HydrophobicContact CG2-CB 4.2Å; V119-V158 HydrophobicContact CG2-CG2 4.17Å; V119-I161 HydrophobicContact CG2-CD1 3.56Å
120V98.4Very high97.5Very high80 Ų8042.2 Ų42.249%0.48525%0.254SS..Hα-helixtrans-61.1-44.3176.6172.80000110.8I116 I117 V123 T124I116-V120 WeakPolarHBondContact O-CG2 3.25Å; I116-V120 PolarHBondContact O-N 3.48Å; I117-V120 PolarHBondContact O-N 3.35Å; V120-V123 PolarHBondContact O-N 2.98Å; V120-T124 VanDerWaalsContact O-CB 3.25Å; V120-T124 WeakPolarHBondContact O-CB 3.49Å; V120-T124 PolarHBondContact O-N 3.17Å; V120-T124 PolarHBondContact O-OG1 2.95Å
121A98.7Very high97.4Very high3 Ų337.4 Ų37.43%0.02523%0.229CC..Hα-helixtrans-63.9-40.8177.300000112.2R47 L51 G104 A108 I117 A118 V119 T124 T125R47-A121 HydrophobicContact CG-CB 4.08Å; L51-A121 HydrophobicContact CD1-CB 3.99Å; G104-A121 VanDerWaalsContact O-CB 3.32Å; G104-A121 WeakPolarHBondContact O-CB 3.37Å; A108-A121 HydrophobicContact CB-CB 3.55Å; I117-A121 VanDerWaalsContact O-CB 3.29Å; I117-A121 WeakPolarHBondContact O-CB 3.45Å; I117-A121 PolarHBondContact O-N 3.4Å; A118-A121 PolarHBondContact O-N 3.28Å; V119-A121 VanDerWaalsContact C-N 3.33Å; V119-A121 PolarHBondContact O-N 2.98Å; A121-T124 PolarHBondContact O-N 3.29Å; A121-T125 WeakPolarHBondContact O-CB 3.36Å; A121-T125 PolarHBondContact O-N 3.17Å; A121-T125 PolarHBondContact O-OG1 3.35Å
122A98.7Very high97.3Very high0 Ų036.4 Ų36.40%023%0.225CC..Hα-helixtrans-59.4-53.5174.100000111.9S101 A105 A118 V119 T124 T125 G126 A157S101-A122 WeakPolarHBondContact O-CA 3.44Å; S101-A122 WeakPolarHBondContact O-CB 3.4Å; A105-A122 HydrophobicContact CB-CB 3.97Å; A118-A122 VanDerWaalsContact O-CB 3.32Å; A118-A122 WeakPolarHBondContact O-CB 3.36Å; A118-A122 PolarHBondContact O-N 3.47Å; V119-A122 WeakPolarHBondContact O-CB 2.86Å; V119-A122 PolarHBondContact O-N 2.97Å; A122-T124 VanDerWaalsContact C-N 3.32Å; A122-T124 PolarHBondContact O-N 3.19Å; A122-T125 PolarHBondContact O-N 2.62Å; A122-G126 PolarHBondContact O-N 2.94Å; A122-A157 HydrophobicContact CB-CB 3.38Å
123V97.7Very high97.2Very high35 Ų3533.2 Ų33.221%0.21219%0.192CC..Hα-helixtrans-61.7-43.5179.1174.80000110.6V119 V120 T125 V127 S153 F154V119-V123 HydrophobicContact CG1-CG2 4.4Å; V119-V123 WeakPolarHBondContact O-CG2 3.47Å; V119-V123 PolarHBondContact O-N 2.66Å; V120-V123 PolarHBondContact O-N 2.98Å; V123-T125 PolarHBondContact O-N 3.05Å; V123-V127 HydrophobicContact CG1-CG2 4.06Å; V123-V127 WeakPolarHBondContact O-CB 3.3Å; V123-V127 VanDerWaalsContact O-CG2 3.26Å; V123-V127 WeakPolarHBondContact O-CG2 3.4Å; V123-V127 PolarHBondContact O-N 2.83Å; V123-S153 WeakPolarHBondContact CA-OG 3.25Å; V123-F154 HydrophobicContact CG2-CB 4.03Å; V123-F154 HydrophobicContact CG2-CD2 4.49Å
124T97.9Very high97Very high13 Ų1330.3 Ų30.38%0.0818%0.179CC..Hα-helixtrans-59.1-51.8177.8-59.30000110.7V46 R47 L50 V120 A121 A122 V127 F128V46-T124 HydrophobicContact CB-CG2 4.35Å; V46-T124 HydrophobicContact CG1-CG2 3.8Å; R47-T124 HydrophobicContact CB-CG2 4.29Å; L50-T124 HydrophobicContact CD1-CG2 4.13Å; V120-T124 VanDerWaalsContact O-CB 3.25Å; V120-T124 WeakPolarHBondContact O-CB 3.49Å; V120-T124 PolarHBondContact O-N 3.17Å; V120-T124 PolarHBondContact O-OG1 2.95Å; A121-T124 PolarHBondContact O-N 3.29Å; A122-T124 VanDerWaalsContact C-N 3.32Å; A122-T124 PolarHBondContact O-N 3.19Å; T124-V127 PolarHBondContact O-N 3.38Å; T124-F128 HydrophobicContact CG2-CD2 3.86Å; T124-F128 HydrophobicContact CG2-CE2 4.09Å; T124-F128 HydrophobicContact CG2-CG 4.34Å; T124-F128 VanDerWaalsContact O-CB 3.28Å; T124-F128 WeakPolarHBondContact O-CB 3.34Å; T124-F128 WeakPolarHBondContact O-CD2 3.35Å; T124-F128 PolarHBondContact O-N 2.62Å
125T98.4Very high96.9Very high3 Ų334 Ų342%0.01819%0.186CC..Hα-helixtrans-63.2-47.7-177.6-50.80000111.5R47 F100 G104 A121 A122 V123R47-T125 WeakPolarHBondContact CB-OG1 3.39Å; R47-T125 VanDerWaalsContact CD-OG1 3.28Å; R47-T125 WeakPolarHBondContact CD-OG1 3.34Å; R47-T125 PolarHBondContact NH1-OG1 2.64Å; F100-T125 HydrophobicContact CB-CG2 3.9Å; F100-T125 HydrophobicContact CD1-CG2 4.31Å; F100-T125 HydrophobicContact CG-CG2 4.41Å; F100-T125 WeakPolarHBondContact O-CB 3.48Å; F100-T125 WeakPolarHBondContact O-CG2 3.28Å; G104-T125 WeakPolarHBondContact CA-OG1 3.5Å; A121-T125 WeakPolarHBondContact O-CB 3.36Å; A121-T125 PolarHBondContact O-N 3.17Å; A121-T125 PolarHBondContact O-OG1 3.35Å; A122-T125 PolarHBondContact O-N 2.62Å; V123-T125 PolarHBondContact O-N 3.05Å
126G97Very high96.8Very high2 Ų235.4 Ų35.42%0.02119%0.185CC..Hα-helixtrans-70.3-32.1-177.300000113.8L97 A122L97-G126 WeakPolarHBondContact CD1-O 3.15Å; A122-G126 PolarHBondContact O-N 2.94Å
127V95.8Very high96.5Very high5 Ų529.1 Ų29.13%0.0315%0.153CC..Hα-helixtrans-97.5-39.9-171.11760000113.5L97 V123 T124 G129 G130 V131 V143 Y149 A150L97-V127 HydrophobicContact CD1-CG2 4.14Å; V123-V127 HydrophobicContact CG1-CG2 4.06Å; V123-V127 WeakPolarHBondContact O-CB 3.3Å; V123-V127 VanDerWaalsContact O-CG2 3.26Å; V123-V127 WeakPolarHBondContact O-CG2 3.4Å; V123-V127 PolarHBondContact O-N 2.83Å; T124-V127 PolarHBondContact O-N 3.38Å; V127-G129 VanDerWaalsContact C-N 3.27Å; V127-G129 PolarHBondContact O-N 3.44Å; V127-G130 PolarHBondContact O-N 3.49Å; V127-G130 VanDerWaalsContact O-N 3.14Å; V127-V131 HydrophobicContact CG1-CG2 3.87Å; V127-V131 PolarHBondContact O-N 2.91Å; V127-V131 VanDerWaalsContact O-N 3.13Å; V127-V143 HydrophobicContact CG1-CB 3.63Å; V127-V143 HydrophobicContact CG1-CG1 4.06Å; V127-V143 HydrophobicContact CG1-CG2 3.52Å; V127-Y149 HydrophobicContact CB-CE1 4.26Å; V127-Y149 HydrophobicContact CG1-CD1 4.26Å; V127-Y149 HydrophobicContact CG1-CE1 4.14Å; V127-Y149 HydrophobicContact CG2-CD1 4.08Å; V127-Y149 HydrophobicContact CG2-CE1 4.02Å; V127-A150 HydrophobicContact CG2-CB 4.33Å
128F96.4Very high96.2Very high79 Ų7934.7 Ų34.735%0.34617%0.174SC..Hα-helixtrans-67.1-25.5-168.8-87.9-109.5000113.8V46 T124 V131 L132V46-F128 HydrophobicContact CB-CD1 4.42Å; V46-F128 HydrophobicContact CG1-CD1 3.91Å; V46-F128 HydrophobicContact CG1-CE1 4.17Å; V46-F128 HydrophobicContact CG1-CG 4.28Å; V46-F128 HydrophobicContact CG2-CD1 4.23Å; T124-F128 HydrophobicContact CG2-CD2 3.86Å; T124-F128 HydrophobicContact CG2-CE2 4.09Å; T124-F128 HydrophobicContact CG2-CG 4.34Å; T124-F128 VanDerWaalsContact O-CB 3.28Å; T124-F128 WeakPolarHBondContact O-CB 3.34Å; T124-F128 WeakPolarHBondContact O-CD2 3.35Å; T124-F128 PolarHBondContact O-N 2.62Å; F128-V131 PolarHBondContact O-N 2.67Å; F128-L132 VanDerWaalsContact O-CG 3.31Å; F128-L132 WeakPolarHBondContact O-CG 3.38Å; F128-L132 PolarHBondContact O-N 2.89Å
129G95.6Very high95.6Very high5 Ų538.5 Ų38.55%0.05219%0.189CC..Hα-helixtrans-56.5-51.2171.500000111.9T39 V127 V131 L132 R133T39-G129 WeakPolarHBondContact O-CA 3.38Å; V127-G129 VanDerWaalsContact C-N 3.27Å; V127-G129 PolarHBondContact O-N 3.44Å; G129-V131 VanDerWaalsContact C-N 3.33Å; G129-V131 PolarHBondContact O-N 3.49Å; G129-L132 PolarHBondContact O-N 2.89Å; G129-R133 WeakPolarHBondContact O-CB 3.12Å; G129-R133 PolarHBondContact O-N 3.43Å
130G93.3Very high95Very high3 Ų342.6 Ų42.63%0.03121%0.209CC..Hα-helixtrans-64.4-34.2174.900000113.4V127 R133 D134V127-G130 PolarHBondContact O-N 3.49Å; V127-G130 VanDerWaalsContact O-N 3.14Å; G130-R133 WeakPolarHBondContact O-CB 3.28Å; G130-D134 WeakPolarHBondContact O-CB 3.43Å; G130-D134 PolarHBondContact O-N 3.49Å
131V95Very high94.3Very high15 Ų1539.3 Ų39.39%0.09119%0.189CC..Hα-helixtrans-63.3-50.5174.9174.30000111.3V127 F128 G129 R133 D134 M135 P141 V143V127-V131 HydrophobicContact CG1-CG2 3.87Å; V127-V131 PolarHBondContact O-N 2.91Å; V127-V131 VanDerWaalsContact O-N 3.13Å; F128-V131 PolarHBondContact O-N 2.67Å; G129-V131 VanDerWaalsContact C-N 3.33Å; G129-V131 PolarHBondContact O-N 3.49Å; V131-R133 VanDerWaalsContact C-N 3.33Å; V131-R133 PolarHBondContact O-N 3.44Å; V131-D134 PolarHBondContact O-N 3.01Å; V131-M135 HydrophobicContact CG1-CG 4.25Å; V131-M135 HydrophobicContact CG1-SD 3.73Å; V131-M135 WeakPolarHBondContact O-CB 3.33Å; V131-M135 VanDerWaalsContact O-CG 3.3Å; V131-M135 WeakPolarHBondContact O-CG 3.34Å; V131-M135 PolarHBondContact O-N 2.84Å; V131-P141 HydrophobicContact CG1-CB 4.49Å; V131-P141 HydrophobicContact CG1-CG 4.13Å; V131-P141 HydrophobicContact CG2-CB 4.16Å; V131-V143 HydrophobicContact CG2-CG1 3.59Å
132L96.7Very high93.2Very high42 Ų4240.6 Ų40.622%0.2220%0.195CC..Hα-helixtrans-59.4-45.6178.7-69.9172000111A38 F128 G129 D134 M135 F136A38-L132 HydrophobicContact CB-CB 4.45Å; F128-L132 VanDerWaalsContact O-CG 3.31Å; F128-L132 WeakPolarHBondContact O-CG 3.38Å; F128-L132 PolarHBondContact O-N 2.89Å; G129-L132 PolarHBondContact O-N 2.89Å; L132-D134 VanDerWaalsContact C-N 3.35Å; L132-D134 PolarHBondContact O-N 2.99Å; L132-M135 PolarHBondContact O-N 2.92Å; L132-F136 HydrophobicContact CB-CE2 4.3Å; L132-F136 WeakPolarHBondContact O-CB 3.25Å; L132-F136 WeakPolarHBondContact O-CD2 3.47Å; L132-F136 WeakPolarHBondContact O-CG 3.36Å; L132-F136 PolarHBondContact O-N 3.4Å
133R95.3Very high92.2Very high0 Ų042.1 Ų42.10%021%0.205CC..Hα-helixtrans-51.3-53.5173.7-178-173.564.9-152-5.3112E14 T17 A21 I35 T39 D93 G129 G130 V131 C137E14-R133 IonicContact OE2-NH1 3.74Å; T17-R133 PolarHBondContact OG1-NH1 2.95Å; T17-R133 VanDerWaalsContact OG1-NH1 3.14Å; A21-R133 HydrophobicContact CB-CG 3.74Å; I35-R133 HydrophobicContact CG2-CG 4.21Å; T39-R133 HydrophobicContact CG2-CB 3.95Å; T39-R133 HydrophobicContact CG2-CG 4.29Å; T39-R133 VanDerWaalsContact OG1-CB 3.28Å; T39-R133 WeakPolarHBondContact OG1-CB 3.26Å; D93-R133 IonicContact OD1-CZ 3.98Å; D93-R133 IonicContact OD1-NH1 3.78Å; D93-R133 PolarHBondContact OD1-NH1 3.17Å; D93-R133 IonicContact OD1-NH2 2.92Å; D93-R133 PolarHBondContact OD1-NH2 3.05Å; G129-R133 WeakPolarHBondContact O-CB 3.12Å; G129-R133 PolarHBondContact O-N 3.43Å; G130-R133 WeakPolarHBondContact O-CB 3.28Å; V131-R133 VanDerWaalsContact C-N 3.33Å; V131-R133 PolarHBondContact O-N 3.44Å; R133-C137 VanDerWaalsContact O-CB 3.29Å; R133-C137 WeakPolarHBondContact O-CB 3.22Å; R133-C137 PolarHBondContact O-N 2.97Å; R133-C137 PolarHBondContact O-SG 3.39Å
134D93.6Very high91.1Very high7 Ų747.6 Ų47.64%0.03723%0.226CC..Hα-helixtrans-72-38.8-171.8-67.4-17.7000111G130 V131 L132 C137 K138 R139 P141 L142G130-D134 WeakPolarHBondContact O-CB 3.43Å; G130-D134 PolarHBondContact O-N 3.49Å; V131-D134 PolarHBondContact O-N 3.01Å; L132-D134 VanDerWaalsContact C-N 3.35Å; L132-D134 PolarHBondContact O-N 2.99Å; D134-C137 CarbonylContact O-C 3.55Å; D134-C137 PolarHBondContact O-N 3.49Å; D134-K138 PolarHBondContact O-N 2.92Å; D134-K138 VanDerWaalsContact O-N 3.08Å; D134-R139 CarbonylContact C-O 3.58Å; D134-R139 HydrophobicContact CB-CB 4.24Å; D134-R139 PolarHBondContact O-N 3.38Å; D134-P141 HydrophobicContact CB-CB 4.19Å; D134-P141 HydrophobicContact CB-CG 4.15Å; D134-P141 WeakPolarHBondContact OD2-CA 3.46Å; D134-L142 PolarHBondContact OD2-N 3.42Å
135M94.8Very high89.6Confident118 Ų11851.2 Ų51.258%0.58124%0.242SC*.Hα-helixtrans-59.9-50.4173.6-74.3179.366.500111.9V131 L132 C137 K138 P141V131-M135 HydrophobicContact CG1-CG 4.25Å; V131-M135 HydrophobicContact CG1-SD 3.73Å; V131-M135 WeakPolarHBondContact O-CB 3.33Å; V131-M135 VanDerWaalsContact O-CG 3.3Å; V131-M135 WeakPolarHBondContact O-CG 3.34Å; V131-M135 PolarHBondContact O-N 2.84Å; L132-M135 PolarHBondContact O-N 2.92Å; M135-C137 PolarHBondContact O-N 3.48Å; M135-K138 PolarHBondContact O-N 3.3Å; M135-P141 HydrophobicContact CG-CG 4.22Å
136F94.8Very high87.8Confident107 Ų10756.8 Ų56.847%0.46927%0.266SS..Hα-helixtrans-64-30.9177-67.8-42000112.6I35 A38 L132 K138I35-F136 HydrophobicContact CD1-CB 3.35Å; I35-F136 HydrophobicContact CD1-CD2 3.78Å; I35-F136 HydrophobicContact CD1-CG 3.81Å; A38-F136 HydrophobicContact CB-CD2 4.06Å; A38-F136 HydrophobicContact CB-CE2 3.59Å; L132-F136 HydrophobicContact CB-CE2 4.3Å; L132-F136 WeakPolarHBondContact O-CB 3.25Å; L132-F136 WeakPolarHBondContact O-CD2 3.47Å; L132-F136 WeakPolarHBondContact O-CG 3.36Å; L132-F136 PolarHBondContact O-N 3.4Å; F136-K138 PolarHBondContact O-N 3.42Å
137C92.8Very high86.3Confident3 Ų359.2 Ų59.22%0.0228%0.277CS..THydrogen-bonded Turntrans-82.67.3174.2-69.30000114R25 R133 D134 M135 R139R25-C137 HydrophobicContact CG-CB 4.18Å; R25-C137 VanDerWaalsContact CZ-O 3.26Å; R25-C137 PolarHBondContact NE-O 2.85Å; R25-C137 PolarHBondContact NH2-O 2.69Å; R133-C137 VanDerWaalsContact O-CB 3.29Å; R133-C137 WeakPolarHBondContact O-CB 3.22Å; R133-C137 PolarHBondContact O-N 2.97Å; R133-C137 PolarHBondContact O-SG 3.39Å; D134-C137 CarbonylContact O-C 3.55Å; D134-C137 PolarHBondContact O-N 3.49Å; M135-C137 PolarHBondContact O-N 3.48Å; C137-R139 VanDerWaalsContact C-N 3.32Å; C137-R139 HydrophobicContact CB-CG 4.34Å; C137-R139 PolarHBondContact O-N 3.47Å
138K91.3Very high85.5Confident188 Ų18861.3 Ų61.382%0.81729%0.287SS*.THydrogen-bonded Turntrans50.249.6-176.2-57.5-178.4-177.7179.30112.1R25 D134 M135 F136R25-K138 PolarHBondContact NH2-O 3.15Å; D134-K138 PolarHBondContact O-N 2.92Å; D134-K138 VanDerWaalsContact O-N 3.08Å; M135-K138 PolarHBondContact O-N 3.3Å; F136-K138 PolarHBondContact O-N 3.42Å
139R86.4Confident85.1Confident81 Ų8157.7 Ų57.731%0.30627%0.271SS..SBendtrans-120.6152.8173.9-62.6-176.8-165.7-154.11.7108.5D134 C137 P141D134-R139 CarbonylContact C-O 3.58Å; D134-R139 HydrophobicContact CB-CB 4.24Å; D134-R139 PolarHBondContact O-N 3.38Å; C137-R139 VanDerWaalsContact C-N 3.32Å; C137-R139 HydrophobicContact CB-CG 4.34Å; C137-R139 PolarHBondContact O-N 3.47Å; R139-P141 VanDerWaalsContact O-CD 3.26Å; R139-P141 WeakPolarHBondContact O-CD 3.45Å
140I85.4Confident84.8Confident105 Ų10558.9 Ų58.954%0.53828%0.281SS..  trans-66.8123.6165.6-59.5169.2000106.5F144 Q145I140-F144 HydrophobicContact CG2-CB 4.08Å; I140-Q145 HydrophobicContact CB-CG 4.21Å; I140-Q145 HydrophobicContact CG2-CG 3.8Å
141P84.6Confident84.8Confident12 Ų1260 Ų608%0.07829%0.293CS..  trans-51.7138.1179-32.537.1000114.1V131 D134 M135 R139 V143 F144 Q145V131-P141 HydrophobicContact CG1-CB 4.49Å; V131-P141 HydrophobicContact CG1-CG 4.13Å; V131-P141 HydrophobicContact CG2-CB 4.16Å; D134-P141 HydrophobicContact CB-CB 4.19Å; D134-P141 HydrophobicContact CB-CG 4.15Å; D134-P141 WeakPolarHBondContact OD2-CA 3.46Å; M135-P141 HydrophobicContact CG-CG 4.22Å; R139-P141 VanDerWaalsContact O-CD 3.26Å; R139-P141 WeakPolarHBondContact O-CD 3.45Å; P141-V143 HydrophobicContact CB-CG1 3.71Å; P141-V143 PolarHBondContact O-N 2.9Å; P141-V143 VanDerWaalsContact O-N 3.11Å; P141-F144 HydrophobicContact CB-CD2 3.68Å; P141-F144 HydrophobicContact CB-CE2 3.87Å; P141-F144 HydrophobicContact CG-CD2 3.83Å; P141-F144 HydrophobicContact CG-CE2 3.75Å; P141-F144 PolarHBondContact O-N 2.95Å; P141-Q145 PolarHBondContact O-N 3.4Å
142L76.4Confident84.8Confident29 Ų2959.7 Ų59.715%0.15229%0.291CS..G310 helixtrans-54.8-31.8178.6-72.5179000112.8F89 D134 F144 Q145F89-L142 HydrophobicContact CE1-CD1 4.21Å; F89-L142 HydrophobicContact CZ-CD1 4.49Å; D134-L142 PolarHBondContact OD2-N 3.42Å; L142-F144 PolarHBondContact O-N 2.84Å; L142-Q145 PolarHBondContact O-N 3.48Å
143V76.7Confident84.8Confident33 Ų3357.7 Ų57.720%0.228%0.28CS..G310 helixtrans-55.1-32.8174.563.10000112.7V127 V131 P141 Y149 A150V127-V143 HydrophobicContact CG1-CB 3.63Å; V127-V143 HydrophobicContact CG1-CG1 4.06Å; V127-V143 HydrophobicContact CG1-CG2 3.52Å; V131-V143 HydrophobicContact CG2-CG1 3.59Å; P141-V143 HydrophobicContact CB-CG1 3.71Å; P141-V143 PolarHBondContact O-N 2.9Å; P141-V143 VanDerWaalsContact O-N 3.11Å; V143-Y149 HydrophobicContact CB-CD1 4.17Å; V143-A150 HydrophobicContact CG2-CB 3.57Å
144F74.5Confident84.9Confident149 Ų14963.1 Ų63.165%0.65430%0.304SS*.G310 helixtrans-92.2-8.9178.7-51.4-46.3000112.6I140 P141 L142I140-F144 HydrophobicContact CG2-CB 4.08Å; P141-F144 HydrophobicContact CB-CD2 3.68Å; P141-F144 HydrophobicContact CB-CE2 3.87Å; P141-F144 HydrophobicContact CG-CD2 3.83Å; P141-F144 HydrophobicContact CG-CE2 3.75Å; P141-F144 PolarHBondContact O-N 2.95Å; L142-F144 PolarHBondContact O-N 2.84Å
145Q66.8Low85Confident89 Ų8964.5 Ų64.542%0.41632%0.317SS..THydrogen-bonded Turntrans-105.596.7-177.5-64.5-158-23.900111.6I140 P141 L142 E147I140-Q145 HydrophobicContact CB-CG 4.21Å; I140-Q145 HydrophobicContact CG2-CG 3.8Å; P141-Q145 PolarHBondContact O-N 3.4Å; L142-Q145 PolarHBondContact O-N 3.48Å; Q145-E147 PolarHBondContact O-N 3.43Å
146K60.2Low85.2Confident120 Ų12058.9 Ų58.952%0.52229%0.289SS..THydrogen-bonded Turntrans36.88.9156.6-80.5-162.8-178.2-175.90121.2L193 G194 V197K146-L193 CarbonylContact O-C 3.38Å; K146-G194 WeakPolarHBondContact O-CA 3.41Å; K146-G194 PolarHBondContact O-N 3.41Å; K146-V197 HydrophobicContact CD-CG2 3.93Å; K146-V197 HydrophobicContact CG-CG2 3.51Å
147E65.6Low85.4Confident53 Ų5353.8 Ų53.825%0.24827%0.267CS..SBendtrans-119.3139.2176.1-55.7172.4167.500106.8Q145 Y149 R185 L189 L193Q145-E147 PolarHBondContact O-N 3.43Å; E147-Y149 PolarHBondContact O-N 3.32Å; E147-R185 IonicContact OE2-CZ 3.17Å; E147-R185 IonicContact OE2-NH1 3.76Å; E147-R185 IonicContact OE2-NH2 2.75Å; E147-R185 PolarHBondContact OE2-NH2 3.35Å; E147-L189 VanDerWaalsContact CD-CD2 3.5Å; E147-L189 HydrophobicContact CG-CD2 4.44Å; E147-L189 WeakPolarHBondContact OE2-CD2 3.29Å; E147-L193 WeakPolarHBondContact CA-O 3.27Å
148L79.8Confident85.7Confident49 Ų4956.8 Ų56.826%0.25729%0.285SS..SBendtrans-6273.7177.7-64.2170.5000110.6V152 R185 A188 L193 L195L148-V152 HydrophobicContact CB-CG2 4.17Å; L148-V152 WeakPolarHBondContact O-CB 3.33Å; L148-V152 WeakPolarHBondContact O-CG2 3.47Å; L148-V152 PolarHBondContact O-N 3.21Å; L148-R185 PolarHBondContact O-NH1 3.49Å; L148-A188 HydrophobicContact CB-CB 4.07Å; L148-A188 HydrophobicContact CD1-CB 4.26Å; L148-L193 HydrophobicContact CD1-CB 3.9Å; L148-L193 HydrophobicContact CD1-CD1 4.39Å; L148-L193 HydrophobicContact CG-CB 4.39Å; L148-L193 PolarHBondContact N-O 3.17Å; L148-L195 HydrophobicContact CD2-CD2 4.16Å; L148-L195 HydrophobicContact CD2-CG 3.99Å
149Y87.2Confident86Confident3 Ų350.1 Ų50.11%0.01226%0.258CS..SBendtrans-92.8-67.7-178.1-171.7-94.2000108.3D93 L97 V127 V143 E147 G151 V152 S153D93-Y149 WeakPolarHBondContact OD2-CE2 3.42Å; L97-Y149 HydrophobicContact CB-CE2 4.26Å; L97-Y149 HydrophobicContact CD1-CD1 4.12Å; L97-Y149 HydrophobicContact CD1-CE1 3.63Å; L97-Y149 HydrophobicContact CD1-CE2 4.08Å; L97-Y149 HydrophobicContact CD2-CD2 3.81Å; L97-Y149 HydrophobicContact CD2-CE2 3.75Å; L97-Y149 HydrophobicContact CD2-CG 4.22Å; L97-Y149 HydrophobicContact CG-CE2 4.24Å; V127-Y149 HydrophobicContact CB-CE1 4.26Å; V127-Y149 HydrophobicContact CG1-CD1 4.26Å; V127-Y149 HydrophobicContact CG1-CE1 4.14Å; V127-Y149 HydrophobicContact CG2-CD1 4.08Å; V127-Y149 HydrophobicContact CG2-CE1 4.02Å; V143-Y149 HydrophobicContact CB-CD1 4.17Å; E147-Y149 PolarHBondContact O-N 3.32Å; Y149-G151 PolarHBondContact O-N 2.93Å; Y149-V152 PolarHBondContact O-N 3.41Å; Y149-S153 PolarHBondContact O-N 3.37Å
150A90.3Very high86.6Confident31 Ų3146.2 Ų46.226%0.25624%0.243SC..Hα-helixtrans-57.5-37.3168.100000111.9V127 V143 V152 S153 F154V127-A150 HydrophobicContact CG2-CB 4.33Å; V143-A150 HydrophobicContact CG2-CB 3.57Å; A150-V152 PolarHBondContact O-N 2.97Å; A150-S153 PolarHBondContact O-N 3.41Å; A150-F154 WeakPolarHBondContact O-CB 3.31Å; A150-F154 PolarHBondContact O-N 2.83Å
151G92.3Very high87.2Confident27 Ų2741.9 Ų41.928%0.27822%0.221SC..Hα-helixtrans-59.8-42.617700000113Y149 A155Y149-G151 PolarHBondContact O-N 2.93Å; G151-A155 VanDerWaalsContact O-CB 3.29Å; G151-A155 WeakPolarHBondContact O-CB 3.18Å; G151-A155 PolarHBondContact O-N 3.01Å
152V95.3Very high87.8Confident8 Ų843.2 Ų43.25%0.04823%0.233CC..Hα-helixtrans-70.7-39.3176.4167.90000111.4L97 V98 L148 Y149 A150 A155 S156 G181 A184 R185L97-V152 HydrophobicContact CD2-CB 4.34Å; L97-V152 HydrophobicContact CD2-CG1 4.27Å; V98-V152 HydrophobicContact CG2-CG1 4.21Å; L148-V152 HydrophobicContact CB-CG2 4.17Å; L148-V152 WeakPolarHBondContact O-CB 3.33Å; L148-V152 WeakPolarHBondContact O-CG2 3.47Å; L148-V152 PolarHBondContact O-N 3.21Å; Y149-V152 PolarHBondContact O-N 3.41Å; A150-V152 PolarHBondContact O-N 2.97Å; V152-A155 PolarHBondContact O-N 3.49Å; V152-S156 VanDerWaalsContact O-CB 3.26Å; V152-S156 WeakPolarHBondContact O-CB 3.34Å; V152-S156 PolarHBondContact O-N 2.86Å; V152-S156 PolarHBondContact O-OG 3.06Å; V152-G181 WeakPolarHBondContact CG1-O 3.3Å; V152-A184 HydrophobicContact CG2-CB 4.19Å; V152-R185 HydrophobicContact CG1-CB 4.14Å; V152-R185 HydrophobicContact CG2-CB 4.4Å
153S96.6Very high88.8Confident0 Ų043.7 Ų43.70%024%0.235CC..Hα-helixtrans-59-48.5174.4179.60000111.6S101 V123 Y149 A150 S156 A157S101-S153 WeakPolarHBondContact OG-CA 3.18Å; S101-S153 WeakPolarHBondContact OG-CB 3.33Å; S101-S153 PolarHBondContact OG-OG 3.49Å; V123-S153 WeakPolarHBondContact CA-OG 3.25Å; Y149-S153 PolarHBondContact O-N 3.37Å; A150-S153 PolarHBondContact O-N 3.41Å; S153-S156 PolarHBondContact O-N 3.08Å; S153-A157 WeakPolarHBondContact O-CB 3.34Å; S153-A157 PolarHBondContact O-N 2.95Å
154F96.6Very high89.7Confident113 Ų11345.3 Ų45.350%0.49624%0.241SC..Hα-helixtrans-59.5-50.5175.6177.1-92.1000111.8V119 V123 A150 S156 A157 V158V119-F154 HydrophobicContact CG1-CD2 3.43Å; V119-F154 VanDerWaalsContact CG1-CD2 3.43Å; V119-F154 HydrophobicContact CG1-CE2 3.57Å; V119-F154 HydrophobicContact CG1-CG 4.46Å; V123-F154 HydrophobicContact CG2-CB 4.03Å; V123-F154 HydrophobicContact CG2-CD2 4.49Å; A150-F154 WeakPolarHBondContact O-CB 3.31Å; A150-F154 PolarHBondContact O-N 2.83Å; F154-S156 VanDerWaalsContact C-N 3.31Å; F154-S156 PolarHBondContact O-N 3.31Å; F154-A157 WeakPolarHBondContact O-CB 3.42Å; F154-A157 PolarHBondContact O-N 3.43Å; F154-V158 HydrophobicContact CD1-CG2 4.26Å; F154-V158 HydrophobicContact CE1-CG2 3.84Å; F154-V158 HydrophobicContact CE2-CG2 4.31Å; F154-V158 HydrophobicContact CZ-CG2 3.86Å; F154-V158 WeakPolarHBondContact O-CG2 3.01Å; F154-V158 PolarHBondContact O-N 2.6Å
155A97.3Very high90.6Very high37 Ų3745.2 Ų45.231%0.30624%0.242SC..Hα-helixtrans-61.7-39.5179.500000112.1G151 V152 V158 L159 F180G151-A155 VanDerWaalsContact O-CB 3.29Å; G151-A155 WeakPolarHBondContact O-CB 3.18Å; G151-A155 PolarHBondContact O-N 3.01Å; V152-A155 PolarHBondContact O-N 3.49Å; A155-V158 PolarHBondContact O-N 2.7Å; A155-L159 VanDerWaalsContact O-CB 3.3Å; A155-L159 WeakPolarHBondContact O-CB 3.36Å; A155-L159 PolarHBondContact O-N 2.92Å; A155-F180 HydrophobicContact CB-CE1 4.3Å
156S98.5Very high92Very high0 Ų050.6 Ų50.60%026%0.26CS..Hα-helixtrans-65.5-40.9176.1-56.10000111.3V152 S153 F154 L159 Y160 T177 G181V152-S156 VanDerWaalsContact O-CB 3.26Å; V152-S156 WeakPolarHBondContact O-CB 3.34Å; V152-S156 PolarHBondContact O-N 2.86Å; V152-S156 PolarHBondContact O-OG 3.06Å; S153-S156 PolarHBondContact O-N 3.08Å; F154-S156 VanDerWaalsContact C-N 3.31Å; F154-S156 PolarHBondContact O-N 3.31Å; S156-L159 PolarHBondContact O-N 3.42Å; S156-Y160 VanDerWaalsContact O-CB 3.26Å; S156-Y160 WeakPolarHBondContact O-CB 3.26Å; S156-Y160 PolarHBondContact O-N 3.42Å; S156-T177 VanDerWaalsContact O-CG2 3.25Å; S156-T177 WeakPolarHBondContact O-CG2 3.27Å; S156-G181 WeakPolarHBondContact OG-CA 3.47Å
157A98.6Very high93.7Very high0 Ų047 Ų470%025%0.248CC..Hα-helixtrans-63.9-46.4176.600000112.1V119 A122 S153 F154 Y160 I161V119-A157 HydrophobicContact CB-CB 4.48Å; V119-A157 HydrophobicContact CG1-CB 4.34Å; V119-A157 HydrophobicContact CG2-CB 4.2Å; A122-A157 HydrophobicContact CB-CB 3.38Å; S153-A157 WeakPolarHBondContact O-CB 3.34Å; S153-A157 PolarHBondContact O-N 2.95Å; F154-A157 WeakPolarHBondContact O-CB 3.42Å; F154-A157 PolarHBondContact O-N 3.43Å; A157-Y160 WeakPolarHBondContact O-CB 3.44Å; A157-Y160 PolarHBondContact O-N 2.84Å; A157-I161 WeakPolarHBondContact O-CD1 3.46Å; A157-I161 VanDerWaalsContact O-CG1 3.3Å; A157-I161 WeakPolarHBondContact O-CG1 3.4Å; A157-I161 PolarHBondContact O-N 3.36Å
158V98.5Very high94.9Very high65 Ų6550.6 Ų50.639%0.39428%0.279SS..Hα-helixtrans-61.5-46.2176.5172.20000110.6V119 F154 A155 Y160 I161 A162V119-V158 HydrophobicContact CG2-CG2 4.17Å; F154-V158 HydrophobicContact CD1-CG2 4.26Å; F154-V158 HydrophobicContact CE1-CG2 3.84Å; F154-V158 HydrophobicContact CE2-CG2 4.31Å; F154-V158 HydrophobicContact CZ-CG2 3.86Å; F154-V158 WeakPolarHBondContact O-CG2 3.01Å; F154-V158 PolarHBondContact O-N 2.6Å; A155-V158 PolarHBondContact O-N 2.7Å; V158-Y160 PolarHBondContact O-N 3.28Å; V158-I161 PolarHBondContact O-N 2.73Å; V158-A162 VanDerWaalsContact O-CB 3.27Å; V158-A162 WeakPolarHBondContact O-CB 3.29Å; V158-A162 PolarHBondContact O-N 2.91Å
159L98.5Very high95.6Very high48 Ų4852.2 Ų52.225%0.25129%0.288SS..Hα-helixtrans-61.1-44.9177.1179.364.9000111.5A155 S156 A162 L163 F180A155-L159 VanDerWaalsContact O-CB 3.3Å; A155-L159 WeakPolarHBondContact O-CB 3.36Å; A155-L159 PolarHBondContact O-N 2.92Å; S156-L159 PolarHBondContact O-N 3.42Å; L159-A162 PolarHBondContact O-N 3.35Å; L159-L163 HydrophobicContact CD1-CD1 3.88Å; L159-L163 HydrophobicContact CD1-CD2 4.43Å; L159-L163 HydrophobicContact CD1-CG 3.85Å; L159-L163 HydrophobicContact CD2-CD1 4.42Å; L159-L163 HydrophobicContact CG-CD1 3.85Å; L159-L163 HydrophobicContact CG-CG 4.2Å; L159-L163 WeakPolarHBondContact O-CB 3.5Å; L159-L163 VanDerWaalsContact O-CG 3.29Å; L159-L163 WeakPolarHBondContact O-CG 3.46Å; L159-L163 PolarHBondContact O-N 2.84Å; L159-F180 HydrophobicContact CD2-CB 3.62Å; L159-F180 HydrophobicContact CD2-CD1 3.28Å; L159-F180 HydrophobicContact CD2-CD2 4.13Å; L159-F180 HydrophobicContact CD2-CE1 3.93Å; L159-F180 HydrophobicContact CD2-CG 3.39Å
160Y98.5Very high95.9Very high0 Ų055.1 Ų55.10%030%0.302CS..Hα-helixtrans-56.8-52178.6-176.7-111.6000111.6I102 A105 Q106 L109 S156 A157 V158 L163 Q164 H170 V173 I174 T177I102-Y160 HydrophobicContact CG1-CD2 4.25Å; I102-Y160 HydrophobicContact CG2-CD2 3.97Å; I102-Y160 HydrophobicContact CG2-CE1 4.43Å; I102-Y160 HydrophobicContact CG2-CE2 3.58Å; A105-Y160 HydrophobicContact CB-CD1 3.67Å; A105-Y160 HydrophobicContact CB-CE1 4.04Å; Q106-Y160 HydrophobicContact CB-CE1 4.29Å; Q106-Y160 PolarHBondContact OE1-OH 2.9Å; L109-Y160 HydrophobicContact CD1-CE1 4.43Å; S156-Y160 VanDerWaalsContact O-CB 3.26Å; S156-Y160 WeakPolarHBondContact O-CB 3.26Å; S156-Y160 PolarHBondContact O-N 3.42Å; A157-Y160 WeakPolarHBondContact O-CB 3.44Å; A157-Y160 PolarHBondContact O-N 2.84Å; V158-Y160 PolarHBondContact O-N 3.28Å; Y160-L163 PolarHBondContact O-N 3.44Å; Y160-Q164 VanDerWaalsContact CZ-NE2 3.26Å; Y160-Q164 WeakPolarHBondContact O-CG 3.47Å; Y160-Q164 PolarHBondContact O-N 3.48Å; Y160-Q164 VanDerWaalsContact O-N 3.12Å; Y160-Q164 PolarHBondContact OH-NE2 3.41Å; Y160-H170 PolarHBondContact OH-CE1 2.83Å; Y160-V173 HydrophobicContact CD2-CG1 3.61Å; Y160-V173 HydrophobicContact CE2-CG1 3.73Å; Y160-I174 HydrophobicContact CE2-CG1 3.97Å; Y160-T177 WeakPolarHBondContact CA-OG1 3.46Å
161I98.1Very high96.2Very high13 Ų1357.4 Ų57.47%0.06731%0.309CS..Hα-helixtrans-63.4-45.6-179.8-65.2163.5000110.2L109 P115 A118 V119 A157 V158 L163 Q164 H165L109-I161 HydrophobicContact CD1-CG1 4.34Å; P115-I161 HydrophobicContact CB-CG2 4.05Å; A118-I161 HydrophobicContact CB-CD1 3.8Å; V119-I161 HydrophobicContact CG2-CD1 3.56Å; A157-I161 WeakPolarHBondContact O-CD1 3.46Å; A157-I161 VanDerWaalsContact O-CG1 3.3Å; A157-I161 WeakPolarHBondContact O-CG1 3.4Å; A157-I161 PolarHBondContact O-N 3.36Å; V158-I161 PolarHBondContact O-N 2.73Å; I161-L163 PolarHBondContact O-N 3.31Å; I161-Q164 PolarHBondContact O-N 3.44Å; I161-H165 PolarHBondContact O-CD2 3.32Å
162A97.8Very high96.4Very high40 Ų4059.3 Ų59.333%0.33132%0.315SS..Hα-helixtrans-59.5-47.3178.400000111.6V158 L159 Q164 H165 Y166V158-A162 VanDerWaalsContact O-CB 3.27Å; V158-A162 WeakPolarHBondContact O-CB 3.29Å; V158-A162 PolarHBondContact O-N 2.91Å; L159-A162 PolarHBondContact O-N 3.35Å; A162-Q164 VanDerWaalsContact C-N 3.3Å; A162-Q164 PolarHBondContact O-N 2.93Å; A162-H165 WeakPolarHBondContact O-CB 3.32Å; A162-H165 PolarHBondContact O-N 3.44Å; A162-H165 VanDerWaalsContact O-N 3.11Å; A162-Y166 WeakPolarHBondContact O-CD2 3.33Å
163L97.7Very high96.6Very high40 Ų4059 Ų5921%0.20931%0.313CS..Hα-helixtrans-64-32.3-179.6-75179.3000112.8L159 Y160 I161 H165 Y166 V167 V173L159-L163 HydrophobicContact CD1-CD1 3.88Å; L159-L163 HydrophobicContact CD1-CD2 4.43Å; L159-L163 HydrophobicContact CD1-CG 3.85Å; L159-L163 HydrophobicContact CD2-CD1 4.42Å; L159-L163 HydrophobicContact CG-CD1 3.85Å; L159-L163 HydrophobicContact CG-CG 4.2Å; L159-L163 WeakPolarHBondContact O-CB 3.5Å; L159-L163 VanDerWaalsContact O-CG 3.29Å; L159-L163 WeakPolarHBondContact O-CG 3.46Å; L159-L163 PolarHBondContact O-N 2.84Å; Y160-L163 PolarHBondContact O-N 3.44Å; I161-L163 PolarHBondContact O-N 3.31Å; L163-H165 PolarHBondContact O-N 2.98Å; L163-Y166 PolarHBondContact O-N 3.27Å; L163-Y166 VanDerWaalsContact O-N 3.11Å; L163-V167 HydrophobicContact CD2-CG2 4.22Å; L163-V167 WeakPolarHBondContact O-CB 3.1Å; L163-V167 PolarHBondContact O-N 3.36Å; L163-V173 HydrophobicContact CB-CB 4.44Å; L163-V173 HydrophobicContact CB-CG1 3.76Å; L163-V173 HydrophobicContact CB-CG2 4.11Å
164Q95.2Very high96.6Very high67 Ų6759 Ų5931%0.31331%0.313SS..Hα-helixtrans-61.1-23.8175-73.2-153.757.400113.5Y160 I161 A162 V173Y160-Q164 VanDerWaalsContact CZ-NE2 3.26Å; Y160-Q164 WeakPolarHBondContact O-CG 3.47Å; Y160-Q164 PolarHBondContact O-N 3.48Å; Y160-Q164 VanDerWaalsContact O-N 3.12Å; Y160-Q164 PolarHBondContact OH-NE2 3.41Å; I161-Q164 PolarHBondContact O-N 3.44Å; A162-Q164 VanDerWaalsContact C-N 3.3Å; A162-Q164 PolarHBondContact O-N 2.93Å; Q164-V173 HydrophobicContact CG-CG1 3.94Å
165H94Very high96.7Very high146 Ų14657.9 Ų57.968%0.67631%0.312SS*.Hα-helixtrans-80.4-23.2176.6-64.8-66.4000113.8I161 A162 L163I161-H165 PolarHBondContact O-CD2 3.32Å; A162-H165 WeakPolarHBondContact O-CB 3.32Å; A162-H165 PolarHBondContact O-N 3.44Å; A162-H165 VanDerWaalsContact O-N 3.11Å; L163-H165 PolarHBondContact O-N 2.98Å
166Y94.9Very high96.7Very high202 Ų20258.7 Ų58.779%0.79232%0.315SS*.Hα-helixtrans-112.8-23.9-173.7-60.7-74.2000113.7A162 L163A162-Y166 WeakPolarHBondContact O-CD2 3.33Å; L163-Y166 PolarHBondContact O-N 3.27Å; L163-Y166 VanDerWaalsContact O-N 3.11Å
167V95.6Very high96.7Very high45 Ų4558.7 Ų58.727%0.27332%0.315SS..  trans-116.2113.4-175.9-178.30000108.5L163 N169 V172 V173L163-V167 HydrophobicContact CD2-CG2 4.22Å; L163-V167 WeakPolarHBondContact O-CB 3.1Å; L163-V167 PolarHBondContact O-N 3.36Å; V167-N169 VanDerWaalsContact C-N 3.33Å; V167-N169 PolarHBondContact O-N 3.32Å; V167-V172 HydrophobicContact CG1-CB 4.11Å; V167-V172 HydrophobicContact CG1-CG1 4.01Å; V167-V173 HydrophobicContact CB-CG2 3.7Å; V167-V173 HydrophobicContact CG1-CG2 3.86Å
168S90.7Very high96.7Very high129 Ų12960 Ų6090%0.90232%0.322SS*.  trans-70.1-29.6-179.553.80000113.2H170S168-H170 PolarHBondContact O-N 3.31Å
169N95.2Very high96.7Very high83 Ų8360.4 Ų60.444%0.44432%0.324SS..  trans-81.2107.4-179.6-171.7-33.9000111V167 D171 V172 V173V167-N169 VanDerWaalsContact C-N 3.33Å; V167-N169 PolarHBondContact O-N 3.32Å; N169-D171 VanDerWaalsContact C-N 3.34Å; N169-D171 PolarHBondContact O-N 3Å; N169-D171 PolarHBondContact OD1-N 2.7Å; N169-V172 HydrophobicContact CB-CB 4.1Å; N169-V172 HydrophobicContact CB-CG2 3.83Å; N169-V172 WeakPolarHBondContact O-CB 3.43Å; N169-V172 PolarHBondContact O-N 3.3Å; N169-V172 PolarHBondContact OD1-N 2.89Å; N169-V173 PolarHBondContact O-N 3.36Å; N169-V173 VanDerWaalsContact O-N 3.13Å
170H94.3Very high96.7Very high64 Ų6462.6 Ų62.630%0.29633%0.332SS..Hα-helixtrans-59.8-38.6-178.6-167.871.3000113.7Q106 Y160 S168 V172 V173 I174Q106-H170 PolarHBondContact OE1-CE1 3.19Å; Y160-H170 PolarHBondContact OH-CE1 2.83Å; S168-H170 PolarHBondContact O-N 3.31Å; H170-V172 VanDerWaalsContact C-N 3.31Å; H170-V172 PolarHBondContact O-N 3.46Å; H170-V173 WeakPolarHBondContact O-CB 3.42Å; H170-V173 PolarHBondContact O-N 3.01Å; H170-I174 WeakPolarHBondContact CD2-CD1 3.32Å; H170-I174 WeakPolarHBondContact NE2-CD1 3.38Å; H170-I174 WeakPolarHBondContact O-CG1 3.36Å; H170-I174 PolarHBondContact O-N 3.46Å
171D96.2Very high96.6Very high79 Ų7962.6 Ų62.642%0.42233%0.332SS..Hα-helixtrans-66.7-36.4179.1-70.5-21.2000111.1L2 N169 I174 I175L2-D171 HydrophobicContact CD2-CB 3.92Å; L2-D171 WeakPolarHBondContact CD2-OD1 3.18Å; N169-D171 VanDerWaalsContact C-N 3.34Å; N169-D171 PolarHBondContact O-N 3Å; N169-D171 PolarHBondContact OD1-N 2.7Å; D171-I174 PolarHBondContact O-N 3.48Å; D171-I175 WeakPolarHBondContact O-CB 3.29Å; D171-I175 VanDerWaalsContact O-CG1 3.25Å; D171-I175 WeakPolarHBondContact O-CG1 3.22Å; D171-I175 PolarHBondContact O-N 2.84Å
172V96.9Very high96.6Very high66 Ų6664 Ų6440%0.434%0.338SS..Hα-helixtrans-64.9-41.4174.4176.40000110.8V167 N169 H170 S176V167-V172 HydrophobicContact CG1-CB 4.11Å; V167-V172 HydrophobicContact CG1-CG1 4.01Å; N169-V172 HydrophobicContact CB-CB 4.1Å; N169-V172 HydrophobicContact CB-CG2 3.83Å; N169-V172 WeakPolarHBondContact O-CB 3.43Å; N169-V172 PolarHBondContact O-N 3.3Å; N169-V172 PolarHBondContact OD1-N 2.89Å; H170-V172 VanDerWaalsContact C-N 3.31Å; H170-V172 PolarHBondContact O-N 3.46Å; V172-S176 WeakPolarHBondContact O-CB 3.32Å; V172-S176 PolarHBondContact O-N 3.12Å; V172-S176 PolarHBondContact O-OG 3.45Å
173V98Very high96.5Very high1 Ų168.1 Ų68.11%0.00635%0.349CS..Hα-helixtrans-59.6-51.1175.5176.20000110.4Y160 L163 Q164 V167 N169 H170 I175 S176 T177Y160-V173 HydrophobicContact CD2-CG1 3.61Å; Y160-V173 HydrophobicContact CE2-CG1 3.73Å; L163-V173 HydrophobicContact CB-CB 4.44Å; L163-V173 HydrophobicContact CB-CG1 3.76Å; L163-V173 HydrophobicContact CB-CG2 4.11Å; Q164-V173 HydrophobicContact CG-CG1 3.94Å; V167-V173 HydrophobicContact CB-CG2 3.7Å; V167-V173 HydrophobicContact CG1-CG2 3.86Å; N169-V173 PolarHBondContact O-N 3.36Å; N169-V173 VanDerWaalsContact O-N 3.13Å; H170-V173 WeakPolarHBondContact O-CB 3.42Å; H170-V173 PolarHBondContact O-N 3.01Å; V173-I175 PolarHBondContact O-N 3.28Å; V173-S176 PolarHBondContact O-N 3.39Å; V173-T177 PolarHBondContact O-N 3.43Å; V173-T177 PolarHBondContact O-OG1 2.81Å; V173-T177 VanDerWaalsContact O-OG1 3.08Å
174I98.2Very high96.4Very high1 Ų167.6 Ų67.61%0.00535%0.35CS..Hα-helixtrans-58.2-52.3-179.9-67.9163.4000111.1L2 L3 L6 I102 Y160 H170 D171 S176 T177 L178L2-I174 HydrophobicContact CD2-CB 3.97Å; L2-I174 HydrophobicContact CD2-CD1 4.02Å; L2-I174 HydrophobicContact CD2-CG2 3.79Å; L2-I174 HydrophobicContact CG-CD1 4.46Å; L2-I174 HydrophobicContact CG-CG2 4.25Å; L3-I174 HydrophobicContact CD1-CD1 4.26Å; L3-I174 HydrophobicContact CD2-CD1 3.56Å; L3-I174 HydrophobicContact CD2-CG1 3.95Å; L3-I174 HydrophobicContact CD2-CG2 4.26Å; L3-I174 HydrophobicContact CG-CD1 3.61Å; L6-I174 HydrophobicContact CD1-CG2 3.38Å; I102-I174 HydrophobicContact CG2-CG1 4.36Å; Y160-I174 HydrophobicContact CE2-CG1 3.97Å; H170-I174 WeakPolarHBondContact CD2-CD1 3.32Å; H170-I174 WeakPolarHBondContact NE2-CD1 3.38Å; H170-I174 WeakPolarHBondContact O-CG1 3.36Å; H170-I174 PolarHBondContact O-N 3.46Å; D171-I174 PolarHBondContact O-N 3.48Å; I174-S176 VanDerWaalsContact C-N 3.35Å; I174-S176 PolarHBondContact O-N 3.03Å; I174-T177 PolarHBondContact O-N 3Å; I174-L178 VanDerWaalsContact O-CB 3.25Å; I174-L178 WeakPolarHBondContact O-CB 3.18Å; I174-L178 PolarHBondContact O-N 2.69Å
175I97.9Very high96.3Very high89 Ų8964.4 Ų64.446%0.45634%0.335SS..Hα-helixtrans-63.7-42.8-176.9-67.8167.7000110.4L2 D171 V173 L178 V179L2-I175 HydrophobicContact CD2-CD1 4.35Å; L2-I175 HydrophobicContact CD2-CG1 4.08Å; D171-I175 WeakPolarHBondContact O-CB 3.29Å; D171-I175 VanDerWaalsContact O-CG1 3.25Å; D171-I175 WeakPolarHBondContact O-CG1 3.22Å; D171-I175 PolarHBondContact O-N 2.84Å; V173-I175 PolarHBondContact O-N 3.28Å; I175-L178 PolarHBondContact O-N 3.13Å; I175-V179 HydrophobicContact CG2-CG2 4.27Å; I175-V179 WeakPolarHBondContact O-CB 3.42Å; I175-V179 VanDerWaalsContact O-CG2 3.27Å; I175-V179 WeakPolarHBondContact O-CG2 3.29Å; I175-V179 PolarHBondContact O-N 3.49Å
176S97.9Very high96.3Very high54 Ų5458.9 Ų58.938%0.37831%0.31SS..Hα-helixtrans-62.9-46179.2-58.90000111.6V172 V173 I174 F180V172-S176 WeakPolarHBondContact O-CB 3.32Å; V172-S176 PolarHBondContact O-N 3.12Å; V172-S176 PolarHBondContact O-OG 3.45Å; V173-S176 PolarHBondContact O-N 3.39Å; I174-S176 VanDerWaalsContact C-N 3.35Å; I174-S176 PolarHBondContact O-N 3.03Å; S176-F180 VanDerWaalsContact O-CB 3.31Å; S176-F180 WeakPolarHBondContact O-CB 3.29Å; S176-F180 PolarHBondContact O-N 3.38Å
177T98.4Very high96.2Very high0 Ų053.9 Ų53.90%030%0.297CS..Hα-helixtrans-63.7-42.3175.4-58.50000111.5I102 S156 Y160 V173 I174 F180 G181I102-T177 HydrophobicContact CD1-CG2 3.83Å; I102-T177 HydrophobicContact CG1-CG2 3.73Å; S156-T177 VanDerWaalsContact O-CG2 3.25Å; S156-T177 WeakPolarHBondContact O-CG2 3.27Å; Y160-T177 WeakPolarHBondContact CA-OG1 3.46Å; V173-T177 PolarHBondContact O-N 3.43Å; V173-T177 PolarHBondContact O-OG1 2.81Å; V173-T177 VanDerWaalsContact O-OG1 3.08Å; I174-T177 PolarHBondContact O-N 3Å; T177-F180 PolarHBondContact O-N 2.87Å; T177-G181 PolarHBondContact O-N 3.32Å
178L98.1Very high95.9Very high28 Ų2851.8 Ų51.815%0.14728%0.284CS..Hα-helixtrans-60.7-49.8179.8-178.961.9000111.3L6 L95 V98 V99 I102 I174 I175 F182L6-L178 HydrophobicContact CD1-CD2 4.3Å; L6-L178 HydrophobicContact CD2-CD2 3.86Å; L95-L178 HydrophobicContact CD1-CD1 4.06Å; V98-L178 HydrophobicContact CB-CD1 4.19Å; V98-L178 HydrophobicContact CG1-CD1 3.95Å; V99-L178 HydrophobicContact CG2-CD1 3.65Å; I102-L178 HydrophobicContact CD1-CB 4.14Å; I174-L178 VanDerWaalsContact O-CB 3.25Å; I174-L178 WeakPolarHBondContact O-CB 3.18Å; I174-L178 PolarHBondContact O-N 2.69Å; I175-L178 PolarHBondContact O-N 3.13Å; L178-F182 WeakPolarHBondContact O-CB 3.48Å; L178-F182 PolarHBondContact O-N 2.85Å
179V98.2Very high95.7Very high73 Ų7346.8 Ų46.844%0.44225%0.247SC..Hα-helixtrans-59.4-51.1177.1168.60000110.1I175 F182 F183I175-V179 HydrophobicContact CG2-CG2 4.27Å; I175-V179 WeakPolarHBondContact O-CB 3.42Å; I175-V179 VanDerWaalsContact O-CG2 3.27Å; I175-V179 WeakPolarHBondContact O-CG2 3.29Å; I175-V179 PolarHBondContact O-N 3.49Å; V179-F182 PolarHBondContact O-N 3.48Å; V179-F183 HydrophobicContact CG1-CD2 3.76Å; V179-F183 HydrophobicContact CG1-CE2 3.93Å; V179-F183 WeakPolarHBondContact O-CD2 3.3Å; V179-F183 PolarHBondContact O-N 3.38Å
180F98.1Very high95.4Very high95 Ų9552.9 Ų52.942%0.41726%0.264SS..Hα-helixtrans-56.2-55.6178.4169-96.7000112.1A155 L159 S176 T177 F182 F183 A184A155-F180 HydrophobicContact CB-CE1 4.3Å; L159-F180 HydrophobicContact CD2-CB 3.62Å; L159-F180 HydrophobicContact CD2-CD1 3.28Å; L159-F180 HydrophobicContact CD2-CD2 4.13Å; L159-F180 HydrophobicContact CD2-CE1 3.93Å; L159-F180 HydrophobicContact CD2-CG 3.39Å; S176-F180 VanDerWaalsContact O-CB 3.31Å; S176-F180 WeakPolarHBondContact O-CB 3.29Å; S176-F180 PolarHBondContact O-N 3.38Å; T177-F180 PolarHBondContact O-N 2.87Å; F180-F182 VanDerWaalsContact C-N 3.34Å; F180-F182 PolarHBondContact O-N 3.46Å; F180-F183 PolarHBondContact O-N 2.9Å; F180-A184 WeakPolarHBondContact O-CB 3.34Å; F180-A184 PolarHBondContact O-N 2.92Å
181G97.7Very high95Very high0 Ų055 Ų550%028%0.277CS..Hα-helixtrans-63.3-41.7-175.700000111.9V98 V152 S156 T177 A184 R185V98-G181 VanDerWaalsContact CG2-C 3.41Å; V152-G181 WeakPolarHBondContact CG1-O 3.3Å; S156-G181 WeakPolarHBondContact OG-CA 3.47Å; T177-G181 PolarHBondContact O-N 3.32Å; G181-A184 PolarHBondContact O-N 3Å; G181-R185 WeakPolarHBondContact O-CB 3.43Å; G181-R185 PolarHBondContact O-N 3.5Å
182F97.1Very high94.4Very high43 Ų4359.7 Ų59.719%0.18929%0.293CS..Hα-helixtrans-63.3-50179.9178.8-104.8000111.2V91 A94 L95 L178 V179 F180 R185 L186V91-F182 HydrophobicContact CG1-CE2 4.05Å; V91-F182 HydrophobicContact CG1-CZ 3.92Å; A94-F182 HydrophobicContact CB-CD2 4.16Å; A94-F182 HydrophobicContact CB-CE2 4.29Å; L95-F182 HydrophobicContact CB-CD2 4.23Å; L95-F182 HydrophobicContact CB-CE2 4.17Å; L95-F182 HydrophobicContact CD1-CD2 4.41Å; L178-F182 WeakPolarHBondContact O-CB 3.48Å; L178-F182 PolarHBondContact O-N 2.85Å; V179-F182 PolarHBondContact O-N 3.48Å; F180-F182 VanDerWaalsContact C-N 3.34Å; F180-F182 PolarHBondContact O-N 3.46Å; F182-R185 PolarHBondContact O-N 2.94Å; F182-L186 HydrophobicContact CD1-CD1 3.99Å; F182-L186 HydrophobicContact CE1-CD1 3.42Å; F182-L186 VanDerWaalsContact CE1-CD1 3.42Å; F182-L186 HydrophobicContact CE1-CG 4.29Å; F182-L186 HydrophobicContact CE2-CD1 4.34Å; F182-L186 HydrophobicContact CZ-CD1 3.64Å; F182-L186 HydrophobicContact CZ-CG 4.27Å; F182-L186 WeakPolarHBondContact O-CG 3.26Å; F182-L186 PolarHBondContact O-N 3.18Å
183F96.6Very high93.6Very high126 Ų12660.1 Ų60.155%0.55329%0.293SS*.Hα-helixtrans-67.5-37.2177.5-78.1-68.6000112.5V179 F180 R185 L186 L187V179-F183 HydrophobicContact CG1-CD2 3.76Å; V179-F183 HydrophobicContact CG1-CE2 3.93Å; V179-F183 WeakPolarHBondContact O-CD2 3.3Å; V179-F183 PolarHBondContact O-N 3.38Å; F180-F183 PolarHBondContact O-N 2.9Å; F183-R185 VanDerWaalsContact C-N 3.31Å; F183-R185 PolarHBondContact O-N 3.36Å; F183-L186 PolarHBondContact O-N 3.49Å; F183-L187 VanDerWaalsContact O-CB 3.22Å; F183-L187 WeakPolarHBondContact O-CB 3.48Å; F183-L187 PolarHBondContact O-N 2.94Å
184A95.3Very high92.6Very high29 Ų2962 Ų6224%0.2431%0.313CS..Hα-helixtrans-58.8-42.9173.400000111.4V152 F180 G181 L187 A188V152-A184 HydrophobicContact CG2-CB 4.19Å; F180-A184 WeakPolarHBondContact O-CB 3.34Å; F180-A184 PolarHBondContact O-N 2.92Å; G181-A184 PolarHBondContact O-N 3Å; A184-L187 PolarHBondContact O-N 3.24Å; A184-A188 WeakPolarHBondContact O-CB 3.42Å; A184-A188 PolarHBondContact O-N 3.06Å
185R93.7Very high91.5Very high0 Ų067.7 Ų67.70%034%0.343CS..Hα-helixtrans-65.6-46.2176.2-173.661.2-173.8143.810.8112.1A94 L97 E147 L148 V152 G181 F182 F183 L187 A188 L189A94-R185 HydrophobicContact CB-CB 3.85Å; A94-R185 HydrophobicContact CB-CG 3.39Å; L97-R185 HydrophobicContact CD2-CG 4.43Å; E147-R185 IonicContact OE2-CZ 3.17Å; E147-R185 IonicContact OE2-NH1 3.76Å; E147-R185 IonicContact OE2-NH2 2.75Å; E147-R185 PolarHBondContact OE2-NH2 3.35Å; L148-R185 PolarHBondContact O-NH1 3.49Å; V152-R185 HydrophobicContact CG1-CB 4.14Å; V152-R185 HydrophobicContact CG2-CB 4.4Å; G181-R185 WeakPolarHBondContact O-CB 3.43Å; G181-R185 PolarHBondContact O-N 3.5Å; F182-R185 PolarHBondContact O-N 2.94Å; F183-R185 VanDerWaalsContact C-N 3.31Å; F183-R185 PolarHBondContact O-N 3.36Å; R185-L187 VanDerWaalsContact C-N 3.31Å; R185-L187 PolarHBondContact O-N 3.35Å; R185-A188 PolarHBondContact O-N 3.46Å; R185-L189 HydrophobicContact CG-CD1 4.25Å; R185-L189 WeakPolarHBondContact O-CB 3.37Å; R185-L189 VanDerWaalsContact O-CG 3.31Å; R185-L189 WeakPolarHBondContact O-CG 3.42Å; R185-L189 PolarHBondContact O-N 3Å
186L92.9Very high90.5Very high30 Ų3069.5 Ų69.516%0.15736%0.36CS..Hα-helixtrans-62.8-39.2177.6-68.1-174.2000112.2V91 A94 F182 F183 L189 R190V91-L186 HydrophobicContact CG2-CD2 4.04Å; A94-L186 HydrophobicContact CB-CD2 4.38Å; F182-L186 HydrophobicContact CD1-CD1 3.99Å; F182-L186 HydrophobicContact CE1-CD1 3.42Å; F182-L186 VanDerWaalsContact CE1-CD1 3.42Å; F182-L186 HydrophobicContact CE1-CG 4.29Å; F182-L186 HydrophobicContact CE2-CD1 4.34Å; F182-L186 HydrophobicContact CZ-CD1 3.64Å; F182-L186 HydrophobicContact CZ-CG 4.27Å; F182-L186 WeakPolarHBondContact O-CG 3.26Å; F182-L186 PolarHBondContact O-N 3.18Å; F183-L186 PolarHBondContact O-N 3.49Å; L186-L189 PolarHBondContact O-N 3.31Å; L186-R190 WeakPolarHBondContact O-CB 3.42Å; L186-R190 WeakPolarHBondContact O-CG 3.43Å; L186-R190 PolarHBondContact O-N 3.11Å
187L92.4Very high89.4Confident96 Ų9669.8 Ų69.850%0.50336%0.36SS..Hα-helixtrans-66.7-45.2177.2-173.462.9000110.8F183 A184 R185 L189 R190 L191F183-L187 VanDerWaalsContact O-CB 3.22Å; F183-L187 WeakPolarHBondContact O-CB 3.48Å; F183-L187 PolarHBondContact O-N 2.94Å; A184-L187 PolarHBondContact O-N 3.24Å; R185-L187 VanDerWaalsContact C-N 3.31Å; R185-L187 PolarHBondContact O-N 3.35Å; L187-L189 VanDerWaalsContact C-N 3.28Å; L187-L189 PolarHBondContact O-N 3.15Å; L187-R190 PolarHBondContact O-N 3.19Å; L187-L191 HydrophobicContact CD1-CD1 3.64Å; L187-L191 HydrophobicContact CD1-CG 3.93Å; L187-L191 HydrophobicContact CD2-CD1 4.49Å; L187-L191 HydrophobicContact CG-CD1 3.82Å; L187-L191 HydrophobicContact CG-CG 4.34Å; L187-L191 WeakPolarHBondContact O-CB 3.47Å; L187-L191 WeakPolarHBondContact O-CG 3.49Å; L187-L191 PolarHBondContact O-N 3.11Å
188A89.3Confident88.5Confident1 Ų178.2 Ų78.21%0.00840%0.396CS..Hα-helixtrans-58.5-40.6175.200000112.1L148 A184 R185 K192 L193L148-A188 HydrophobicContact CB-CB 4.07Å; L148-A188 HydrophobicContact CD1-CB 4.26Å; A184-A188 WeakPolarHBondContact O-CB 3.42Å; A184-A188 PolarHBondContact O-N 3.06Å; R185-A188 PolarHBondContact O-N 3.46Å; A188-K192 CarbonylContact O-C 3.41Å; A188-K192 VanDerWaalsContact O-CA 3.29Å; A188-K192 WeakPolarHBondContact O-CA 3.31Å; A188-K192 PolarHBondContact O-N 3.26Å; A188-L193 HydrophobicContact CB-CB 4.25Å; A188-L193 PolarHBondContact O-N 3.16Å
189L87.8Confident87.3Confident25 Ų2585.3 Ų85.313%0.13142%0.423CS..Hα-helixtrans-66.3-44.1175.4-75.2168.8000112.8L90 E147 R185 L186 L187 K192L90-L189 HydrophobicContact CB-CD1 4Å; L90-L189 HydrophobicContact CD1-CD2 4.38Å; L90-L189 HydrophobicContact CD2-CD1 4.26Å; L90-L189 HydrophobicContact CD2-CD2 3.92Å; E147-L189 VanDerWaalsContact CD-CD2 3.5Å; E147-L189 HydrophobicContact CG-CD2 4.44Å; E147-L189 WeakPolarHBondContact OE2-CD2 3.29Å; R185-L189 HydrophobicContact CG-CD1 4.25Å; R185-L189 WeakPolarHBondContact O-CB 3.37Å; R185-L189 VanDerWaalsContact O-CG 3.31Å; R185-L189 WeakPolarHBondContact O-CG 3.42Å; R185-L189 PolarHBondContact O-N 3Å; L186-L189 PolarHBondContact O-N 3.31Å; L187-L189 VanDerWaalsContact C-N 3.28Å; L187-L189 PolarHBondContact O-N 3.15Å; L189-K192 PolarHBondContact O-N 2.83Å
190R88Confident86.5Confident211 Ų21189 Ų8980%0.79643%0.43SS*.Hα-helixtrans-66.2-43.7179.4-76.1-176-174.7-163.54112L186 L187 K192L186-R190 WeakPolarHBondContact O-CB 3.42Å; L186-R190 WeakPolarHBondContact O-CG 3.43Å; L186-R190 PolarHBondContact O-N 3.11Å; L187-R190 PolarHBondContact O-N 3.19Å; R190-K192 VanDerWaalsContact C-N 3.3Å
191L87.1Confident85.3Confident107 Ų10790.1 Ų90.156%0.5645%0.449SS*.Hα-helixtrans-85.8-2.2-178.6-63.6-176.7000113.1L187 L193L187-L191 HydrophobicContact CD1-CD1 3.64Å; L187-L191 HydrophobicContact CD1-CG 3.93Å; L187-L191 HydrophobicContact CD2-CD1 4.49Å; L187-L191 HydrophobicContact CG-CD1 3.82Å; L187-L191 HydrophobicContact CG-CG 4.34Å; L187-L191 WeakPolarHBondContact O-CB 3.47Å; L187-L191 WeakPolarHBondContact O-CG 3.49Å; L187-L191 PolarHBondContact O-N 3.11Å; L191-L193 HydrophobicContact CB-CD1 4.29Å; L191-L193 HydrophobicContact CB-CD2 4.11Å; L191-L193 HydrophobicContact CB-CG 3.76Å; L191-L193 HydrophobicContact CD1-CD1 4.26Å; L191-L193 PolarHBondContact O-N 3.11Å
192K82.8Confident84Confident178 Ų17896.2 Ų96.277%0.77448%0.477SS*.THydrogen-bonded Turntrans51.140.4-175.3-57.1178.7-178.3175.30112.2A188 L189 R190 G194A188-K192 CarbonylContact O-C 3.41Å; A188-K192 VanDerWaalsContact O-CA 3.29Å; A188-K192 WeakPolarHBondContact O-CA 3.31Å; A188-K192 PolarHBondContact O-N 3.26Å; L189-K192 PolarHBondContact O-N 2.83Å; R190-K192 VanDerWaalsContact C-N 3.3Å; K192-G194 PolarHBondContact O-N 3.36Å
193L79.4Confident82.6Confident76 Ų76104 Ų10440%0.39852%0.515SS..  trans-70.2125.3179.6-63.3176.9000109.8K146 E147 L148 A188 L191K146-L193 CarbonylContact O-C 3.38Å; E147-L193 WeakPolarHBondContact CA-O 3.27Å; L148-L193 HydrophobicContact CD1-CB 3.9Å; L148-L193 HydrophobicContact CD1-CD1 4.39Å; L148-L193 HydrophobicContact CG-CB 4.39Å; L148-L193 PolarHBondContact N-O 3.17Å; A188-L193 HydrophobicContact CB-CB 4.25Å; A188-L193 PolarHBondContact O-N 3.16Å; L191-L193 HydrophobicContact CB-CD1 4.29Å; L191-L193 HydrophobicContact CB-CD2 4.11Å; L191-L193 HydrophobicContact CB-CG 3.76Å; L191-L193 HydrophobicContact CD1-CD1 4.26Å; L191-L193 PolarHBondContact O-N 3.11Å
194G77.7Confident81.3Confident41 Ų41100.4 Ų100.442%0.42351%0.513SS..  trans-138.7158-179.500000112.8K146 K192K146-G194 WeakPolarHBondContact O-CA 3.41Å; K146-G194 PolarHBondContact O-N 3.41Å; K192-G194 PolarHBondContact O-N 3.36Å
195L75.3Confident79.3Confident119 Ų119110.8 Ų110.862%0.62356%0.556SS**PPolyproline II helixtrans-76.6155.8169.5-68.8173.2000110.4L148 V197L148-L195 HydrophobicContact CD2-CD2 4.16Å; L148-L195 HydrophobicContact CD2-CG 3.99Å; L195-V197 PolarHBondContact O-N 3.29Å
196P76.2Confident78.6Confident127 Ų127116.3 Ų116.383%0.82558%0.583SS**PPolyproline II helixtrans-56.4135.5174.823.8-33.9000110.2
197V75.7Confident77.9Confident61 Ų61120.8 Ų120.837%0.3761%0.606SS.*PPolyproline II helixtrans-91.3126.3178.2169.80000109.5K146 L195 Y199K146-V197 HydrophobicContact CD-CG2 3.93Å; K146-V197 HydrophobicContact CG-CG2 3.51Å; L195-V197 PolarHBondContact O-N 3.29Å; V197-Y199 HydrophobicContact CB-CD2 4.21Å; V197-Y199 HydrophobicContact CB-CE2 3.64Å; V197-Y199 HydrophobicContact CG1-CD1 4.44Å; V197-Y199 HydrophobicContact CG1-CD2 3.86Å; V197-Y199 HydrophobicContact CG1-CE1 4.06Å; V197-Y199 HydrophobicContact CG1-CE2 3.42Å; V197-Y199 VanDerWaalsContact CG1-CE2 3.42Å; V197-Y199 HydrophobicContact CG1-CG 4.35Å; V197-Y199 VanDerWaalsContact O-CD2 3.29Å; V197-Y199 WeakPolarHBondContact O-CD2 3.15Å; V197-Y199 PolarHBondContact O-N 3.46Å
198F78.7Confident77.1Confident176 Ų176122.2 Ų122.277%0.77261%0.612SS**  trans-71.5111.6172.1-177.6-105000109.1Y200F198-Y200 HydrophobicContact CE1-CG 4.38Å; F198-Y200 HydrophobicContact CZ-CD2 4.25Å; F198-Y200 HydrophobicContact CZ-CG 4.29Å
199Y74.1Confident76.3Confident177 Ų177129.4 Ų129.469%0.69465%0.647SS**  trans-107123170.5-69.1-82.7000108.1V197V197-Y199 HydrophobicContact CB-CD2 4.21Å; V197-Y199 HydrophobicContact CB-CE2 3.64Å; V197-Y199 HydrophobicContact CG1-CD1 4.44Å; V197-Y199 HydrophobicContact CG1-CD2 3.86Å; V197-Y199 HydrophobicContact CG1-CE1 4.06Å; V197-Y199 HydrophobicContact CG1-CE2 3.42Å; V197-Y199 VanDerWaalsContact CG1-CE2 3.42Å; V197-Y199 HydrophobicContact CG1-CG 4.35Å; V197-Y199 VanDerWaalsContact O-CD2 3.29Å; V197-Y199 WeakPolarHBondContact O-CD2 3.15Å; V197-Y199 PolarHBondContact O-N 3.46Å
200Y80Confident75.6Confident151 Ų151135.9 Ų135.959%0.59268%0.679SS**  trans-127.4104.6173.4-173.5-103.3000108.5F198 H202F198-Y200 HydrophobicContact CE1-CG 4.38Å; F198-Y200 HydrophobicContact CZ-CD2 4.25Å; F198-Y200 HydrophobicContact CZ-CG 4.29Å; Y200-H202 HydrophobicContact CD1-CB 4.16Å; Y200-H202 HydrophobicContact CE1-CB 3.45Å; Y200-H202 VanDerWaalsContact CE1-CB 3.45Å; Y200-H202 HydrophobicContact CE2-CB 4.47Å; Y200-H202 AromaticContact CZ-CD2 3.64Å; Y200-H202 PolarHBondContact OH-CD2 2.91Å
201S73.3Confident74.8Confident118 Ų118130.9 Ų130.983%0.82567%0.672SS**  trans-101.8101.717152.40000107.8
202H70.8Confident73.9Confident128 Ų128132.6 Ų132.659%0.59368%0.68SS**  trans-133.5108.7167.7-133.7-44000107.8Y200 G204Y200-H202 HydrophobicContact CD1-CB 4.16Å; Y200-H202 HydrophobicContact CE1-CB 3.45Å; Y200-H202 VanDerWaalsContact CE1-CB 3.45Å; Y200-H202 HydrophobicContact CE2-CB 4.47Å; Y200-H202 AromaticContact CZ-CD2 3.64Å; Y200-H202 PolarHBondContact OH-CD2 2.91Å; H202-G204 PolarHBondContact O-N 3.17Å
203E68Low73.2Confident208 Ų208129.1 Ų129.197%0.97267%0.672SS**  trans-73.320.9177.9-64.8-176.6159.700112.8
204G68.6Low72.7Confident50 Ų50133.5 Ų133.552%0.51570%0.695SS.*  trans-108.310.7-159.900000117.5H202H202-G204 PolarHBondContact O-N 3.17Å
205H54.4Low72.3Confident246 Ų246141.9 Ų141.9100%1.13972%0.72SS**  trans-132.70178.7-68.2-55.3000112.3

Retrieved 205 of 205 residues in 94.2 ms (Link to these results)

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