A0A077ZLJ7_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZLJ7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 251 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
1M79.7Confident90Very high94 Ų9476.9 Ų76.946%0.46341%0.405SS..  0-56.60-65.8-51.3-83.200113.8R3 F4 Y5 I33 M36 A37 Y40M1-R3 VanDerWaalsContact C-N 3.32Å; M1-R3 PolarHBondContact O-N 2.86Å; M1-F4 WeakPolarHBondContact O-CA 3.28Å; M1-F4 WeakPolarHBondContact O-CB 3.13Å; M1-F4 PolarHBondContact O-N 3.47Å; M1-Y5 PolarHBondContact O-N 3.19Å; M1-I33 HydrophobicContact CE-CB 4.41Å; M1-I33 HydrophobicContact CE-CG1 4.36Å; M1-I33 HydrophobicContact CE-CG2 3.9Å; M1-M36 HydrophobicContact CE-CB 4.25Å; M1-A37 HydrophobicContact CB-CB 4.22Å; M1-Y40 HydrophobicContact CB-CD2 3.95Å; M1-Y40 HydrophobicContact CG-CD2 3.58Å; M1-Y40 HydrophobicContact CG-CE2 3.78Å; M1-Y40 HydrophobicContact CG-CG 4.47Å
2S83.4Confident90.4Very high51 Ų5171.1 Ų71.136%0.35737%0.374SS..Hα-helixtrans-55.5-42.1-176.3-42.60000114F4 Y5 A6S2-F4 VanDerWaalsContact C-N 3.33Å; S2-F4 PolarHBondContact O-N 2.96Å; S2-Y5 PolarHBondContact O-N 2.92Å; S2-A6 WeakPolarHBondContact O-CB 3.4Å; S2-A6 PolarHBondContact O-N 3.29Å
3R89.7Confident90.7Very high208 Ų20875.8 Ų75.879%0.78539%0.393SS*.Hα-helixtrans-63.2-36.7173.6-176.6177177.4-177-0.2113.2M1 L7M1-R3 VanDerWaalsContact C-N 3.32Å; M1-R3 PolarHBondContact O-N 2.86Å; R3-L7 HydrophobicContact CG-CD1 4.32Å; R3-L7 WeakPolarHBondContact O-CG 3.07Å; R3-L7 PolarHBondContact O-N 3.42Å
4F89.3Confident90.9Very high77 Ų7779.1 Ų79.134%0.33840%0.403SS..Hα-helixtrans-67.3-47177.8178.7-88.6000110.3M1 S2 A6 L7 F8 V11 V26 I33M1-F4 WeakPolarHBondContact O-CA 3.28Å; M1-F4 WeakPolarHBondContact O-CB 3.13Å; M1-F4 PolarHBondContact O-N 3.47Å; S2-F4 VanDerWaalsContact C-N 3.33Å; S2-F4 PolarHBondContact O-N 2.96Å; F4-A6 VanDerWaalsContact C-N 3.34Å; F4-A6 PolarHBondContact O-N 2.96Å; F4-L7 CarbonylContact O-C 3.56Å; F4-L7 PolarHBondContact O-N 3.32Å; F4-F8 HydrophobicContact CE1-CD2 4Å; F4-F8 HydrophobicContact CE1-CE2 4.37Å; F4-F8 PolarHBondContact O-N 3.18Å; F4-F8 VanDerWaalsContact O-N 3.09Å; F4-V11 HydrophobicContact CE2-CG1 4.14Å; F4-V11 HydrophobicContact CE2-CG2 4.2Å; F4-V11 HydrophobicContact CZ-CG1 4.15Å; F4-V26 HydrophobicContact CZ-CG1 4.25Å; F4-I33 HydrophobicContact CD1-CG2 3.72Å; F4-I33 HydrophobicContact CE1-CD1 4.03Å; F4-I33 HydrophobicContact CE1-CG2 3.88Å
5Y91.3Very high91.2Very high29 Ų2974.9 Ų74.911%0.11438%0.382CS..Hα-helixtrans-64.6-37.2178.5-170-103.8000112.6M1 S2 L7 F8 R30 I33 A34 A37 N88 L92M1-Y5 PolarHBondContact O-N 3.19Å; S2-Y5 PolarHBondContact O-N 2.92Å; Y5-L7 PolarHBondContact O-N 2.84Å; Y5-F8 HydrophobicContact CD2-CB 4.39Å; Y5-F8 HydrophobicContact CD2-CD2 4.22Å; Y5-F8 WeakPolarHBondContact O-CB 3.27Å; Y5-F8 PolarHBondContact O-N 3.26Å; Y5-R30 HydrophobicContact CE2-CG 4.5Å; Y5-I33 HydrophobicContact CD2-CG2 3.93Å; Y5-A34 HydrophobicContact CD2-CB 4.1Å; Y5-A34 HydrophobicContact CE1-CB 4.31Å; Y5-A34 HydrophobicContact CE2-CB 3.43Å; Y5-A34 VanDerWaalsContact CE2-CB 3.43Å; Y5-A37 HydrophobicContact CG-CB 4.42Å; Y5-N88 HydrophobicContact CD1-CB 3.87Å; Y5-N88 VanDerWaalsContact CD1-CG 3.44Å; Y5-N88 VanDerWaalsContact CD1-OD1 3.23Å; Y5-N88 WeakPolarHBondContact CD1-OD1 3.31Å; Y5-N88 HydrophobicContact CE1-CB 3.42Å; Y5-N88 VanDerWaalsContact CE1-CB 3.42Å; Y5-N88 VanDerWaalsContact CE1-CG 3.41Å; Y5-N88 WeakPolarHBondContact CE1-OD1 3.25Å; Y5-N88 PolarHBondContact OH-O 2.82Å; Y5-L92 WeakPolarHBondContact OH-CD1 3.38Å; Y5-L92 VanDerWaalsContact OH-CG 3.28Å; Y5-L92 WeakPolarHBondContact OH-CG 3.43Å
6A91.6Very high91.2Very high83 Ų8377.6 Ų77.669%0.68639%0.39SS*.Hα-helixtrans-61.9-23.9173.300000113.5S2 F4S2-A6 WeakPolarHBondContact O-CB 3.4Å; S2-A6 PolarHBondContact O-N 3.29Å; F4-A6 VanDerWaalsContact C-N 3.34Å; F4-A6 PolarHBondContact O-N 2.96Å
7L93.3Very high91.3Very high79 Ų7979.5 Ų79.541%0.41441%0.407SS..THydrogen-bonded Turntrans-104.511.4177.7-63.7174.6000112.1R3 F4 Y5 D9 T10 V11R3-L7 HydrophobicContact CG-CD1 4.32Å; R3-L7 WeakPolarHBondContact O-CG 3.07Å; R3-L7 PolarHBondContact O-N 3.42Å; F4-L7 CarbonylContact O-C 3.56Å; F4-L7 PolarHBondContact O-N 3.32Å; Y5-L7 PolarHBondContact O-N 2.84Å; L7-D9 PolarHBondContact O-N 3.27Å; L7-T10 WeakPolarHBondContact O-CB 3.39Å; L7-T10 PolarHBondContact O-N 3.48Å; L7-T10 VanDerWaalsContact O-N 3.11Å; L7-V11 HydrophobicContact CB-CG2 4.43Å; L7-V11 WeakPolarHBondContact O-CG2 3.42Å; L7-V11 PolarHBondContact O-N 3.34Å
8F92.8Very high91.4Very high3 Ų382.2 Ų82.21%0.01342%0.417CS..Hα-helixtrans-56.2-50.7-168.6-171-85.8000112F4 Y5 T10 V11 I12 V26 R30 I33F4-F8 HydrophobicContact CE1-CD2 4Å; F4-F8 HydrophobicContact CE1-CE2 4.37Å; F4-F8 PolarHBondContact O-N 3.18Å; F4-F8 VanDerWaalsContact O-N 3.09Å; Y5-F8 HydrophobicContact CD2-CB 4.39Å; Y5-F8 HydrophobicContact CD2-CD2 4.22Å; Y5-F8 WeakPolarHBondContact O-CB 3.27Å; Y5-F8 PolarHBondContact O-N 3.26Å; F8-T10 VanDerWaalsContact C-N 3.31Å; F8-T10 PolarHBondContact O-N 3.46Å; F8-V11 WeakPolarHBondContact O-CB 3.2Å; F8-V11 PolarHBondContact O-N 3.44Å; F8-V11 VanDerWaalsContact O-N 3.14Å; F8-I12 HydrophobicContact CD1-CG1 3.84Å; F8-I12 HydrophobicContact CE1-CD1 3.94Å; F8-I12 HydrophobicContact CE1-CG1 3.52Å; F8-I12 HydrophobicContact CZ-CD1 4.11Å; F8-I12 HydrophobicContact CZ-CG1 4.17Å; F8-I12 WeakPolarHBondContact O-CG1 3.14Å; F8-I12 PolarHBondContact O-N 3.39Å; F8-V26 HydrophobicContact CE2-CG1 3.85Å; F8-V26 HydrophobicContact CZ-CG1 4.01Å; F8-V26 WeakPolarHBondContact CZ-O 3.3Å; F8-R30 HydrophobicContact CD1-CG 4.18Å; F8-R30 HydrophobicContact CE1-CB 3.94Å; F8-R30 HydrophobicContact CE1-CG 3.59Å; F8-R30 HydrophobicContact CE2-CB 4.2Å; F8-R30 HydrophobicContact CE2-CG 4.19Å; F8-R30 HydrophobicContact CZ-CB 3.51Å; F8-R30 HydrophobicContact CZ-CG 3.6Å; F8-I33 HydrophobicContact CD2-CG2 4.31Å; F8-I33 HydrophobicContact CE2-CB 4.5Å; F8-I33 HydrophobicContact CE2-CD1 3.84Å; F8-I33 HydrophobicContact CE2-CG2 4.43Å
9D92.3Very high91.5Very high97 Ų9781.6 Ų81.652%0.51942%0.415SS..Hα-helixtrans-65.3-34.3-178.9-63-48.1000112.4L7 I12 Q13 R30L7-D9 PolarHBondContact O-N 3.27Å; D9-I12 PolarHBondContact O-N 3.23Å; D9-Q13 WeakPolarHBondContact O-CB 3.45Å; D9-Q13 PolarHBondContact O-N 3.49Å; D9-R30 IonicContact OD1-CZ 2.66Å; D9-R30 VanDerWaalsContact OD1-CZ 3.29Å; D9-R30 IonicContact OD1-NH1 3.84Å; D9-R30 PolarHBondContact OD1-NH1 2.99Å; D9-R30 IonicContact OD1-NH2 2.67Å; D9-R30 PolarHBondContact OD1-NH2 3.02Å; D9-R30 IonicContact OD2-NH2 3.65Å; D9-R30 PolarHBondContact OD2-NH2 2.92Å
10T93.9Very high91.6Very high87 Ų8782.3 Ų82.353%0.53442%0.424SS..Hα-helixtrans-66.1-42173.2-52.20000111.5L7 F8 Q13 F14L7-T10 WeakPolarHBondContact O-CB 3.39Å; L7-T10 PolarHBondContact O-N 3.48Å; L7-T10 VanDerWaalsContact O-N 3.11Å; F8-T10 VanDerWaalsContact C-N 3.31Å; F8-T10 PolarHBondContact O-N 3.46Å; T10-Q13 PolarHBondContact O-N 2.99Å; T10-F14 WeakPolarHBondContact O-CB 3.34Å; T10-F14 PolarHBondContact O-N 3.22Å
11V93Very high91.7Very high38 Ų3885.1 Ų85.123%0.2344%0.435CS..Hα-helixtrans-63.1-45.2175.7171.60000110.3F4 L7 F8 Q13 F14 L15F4-V11 HydrophobicContact CE2-CG1 4.14Å; F4-V11 HydrophobicContact CE2-CG2 4.2Å; F4-V11 HydrophobicContact CZ-CG1 4.15Å; L7-V11 HydrophobicContact CB-CG2 4.43Å; L7-V11 WeakPolarHBondContact O-CG2 3.42Å; L7-V11 PolarHBondContact O-N 3.34Å; F8-V11 WeakPolarHBondContact O-CB 3.2Å; F8-V11 PolarHBondContact O-N 3.44Å; F8-V11 VanDerWaalsContact O-N 3.14Å; V11-Q13 VanDerWaalsContact C-N 3.33Å; V11-Q13 PolarHBondContact O-N 3.38Å; V11-F14 PolarHBondContact O-N 3.31Å; V11-L15 HydrophobicContact CG1-CD1 3.86Å; V11-L15 HydrophobicContact CG1-CG 4.33Å; V11-L15 VanDerWaalsContact O-CG 3.31Å; V11-L15 WeakPolarHBondContact O-CG 3.42Å; V11-L15 PolarHBondContact O-N 3.08Å
12I94.6Very high92.4Very high7 Ų784.3 Ų84.34%0.03643%0.432CS..Hα-helixtrans-59.1-44.7174.9-68.7-58.1000111.1F8 D9 F14 L15 K16 R23 V26 E27F8-I12 HydrophobicContact CD1-CG1 3.84Å; F8-I12 HydrophobicContact CE1-CD1 3.94Å; F8-I12 HydrophobicContact CE1-CG1 3.52Å; F8-I12 HydrophobicContact CZ-CD1 4.11Å; F8-I12 HydrophobicContact CZ-CG1 4.17Å; F8-I12 WeakPolarHBondContact O-CG1 3.14Å; F8-I12 PolarHBondContact O-N 3.39Å; D9-I12 PolarHBondContact O-N 3.23Å; I12-F14 VanDerWaalsContact C-N 3.34Å; I12-F14 PolarHBondContact O-N 3.1Å; I12-L15 PolarHBondContact O-N 3.49Å; I12-K16 WeakPolarHBondContact O-CG 3.32Å; I12-K16 PolarHBondContact O-N 3.48Å; I12-R23 HydrophobicContact CG2-CG 4.25Å; I12-V26 HydrophobicContact CD1-CB 4.05Å; I12-V26 HydrophobicContact CD1-CG1 3.78Å; I12-E27 HydrophobicContact CD1-CB 3.99Å; I12-E27 VanDerWaalsContact CG2-OE2 3.25Å; I12-E27 WeakPolarHBondContact CG2-OE2 3.2Å
13Q93.7Very high93Very high133 Ų13385 Ų8562%0.62143%0.427SS*.Hα-helixtrans-62.4-41.6178.9-175178.4700112D9 T10 V11 K16D9-Q13 WeakPolarHBondContact O-CB 3.45Å; D9-Q13 PolarHBondContact O-N 3.49Å; T10-Q13 PolarHBondContact O-N 2.99Å; V11-Q13 VanDerWaalsContact C-N 3.33Å; V11-Q13 PolarHBondContact O-N 3.38Å; Q13-K16 PolarHBondContact O-N 3.46Å
14F94.2Very high93.2Very high122 Ų12278.3 Ų78.354%0.53541%0.407SS..Hα-helixtrans-63.2-46.9175.8174.2-101.4000111.7T10 V11 I12 K16 T17 E18T10-F14 WeakPolarHBondContact O-CB 3.34Å; T10-F14 PolarHBondContact O-N 3.22Å; V11-F14 PolarHBondContact O-N 3.31Å; I12-F14 VanDerWaalsContact C-N 3.34Å; I12-F14 PolarHBondContact O-N 3.1Å; F14-K16 PolarHBondContact O-N 2.81Å; F14-T17 PolarHBondContact O-N 2.93Å; F14-T17 PolarHBondContact O-OG1 3.07Å; F14-E18 HydrophobicContact CD1-CG 4.34Å; F14-E18 HydrophobicContact CD2-CG 4.41Å; F14-E18 HydrophobicContact CE1-CG 3.82Å; F14-E18 HydrophobicContact CE2-CG 3.9Å; F14-E18 HydrophobicContact CZ-CG 3.59Å
15L94.9Very high93.4Very high16 Ų1678.1 Ų78.18%0.08441%0.41CS..Hα-helixtrans-67.5-20-177.7-66.1173000113.4V11 I12 T17 E18 D19 L22 R23 V26V11-L15 HydrophobicContact CG1-CD1 3.86Å; V11-L15 HydrophobicContact CG1-CG 4.33Å; V11-L15 VanDerWaalsContact O-CG 3.31Å; V11-L15 WeakPolarHBondContact O-CG 3.42Å; V11-L15 PolarHBondContact O-N 3.08Å; I12-L15 PolarHBondContact O-N 3.49Å; L15-T17 PolarHBondContact O-N 2.93Å; L15-E18 PolarHBondContact O-N 3.06Å; L15-D19 CarbonylContact O-C 3.18Å; L15-D19 PolarHBondContact O-N 2.89Å; L15-L22 HydrophobicContact CD1-CD2 4.4Å; L15-L22 HydrophobicContact CD1-CG 4.12Å; L15-L22 HydrophobicContact CD2-CD2 3.8Å; L15-L22 HydrophobicContact CD2-CG 4.27Å; L15-R23 HydrophobicContact CB-CB 3.6Å; L15-R23 HydrophobicContact CB-CG 4.08Å; L15-V26 HydrophobicContact CD1-CB 4.43Å; L15-V26 HydrophobicContact CD1-CG2 4.08Å
16K92Very high93.5Very high118 Ų11877.8 Ų77.851%0.51341%0.41SS..Hα-helixtrans-58.5-30.7173.7-75.4175.6-175.7179.50113.2I12 Q13 F14 R23I12-K16 WeakPolarHBondContact O-CG 3.32Å; I12-K16 PolarHBondContact O-N 3.48Å; Q13-K16 PolarHBondContact O-N 3.46Å; F14-K16 PolarHBondContact O-N 2.81Å; K16-R23 HydrophobicContact CG-CG 4.13Å
17T92.2Very high93.6Very high110 Ų11076.5 Ų76.568%0.67539%0.39SS*.Hα-helixtrans-92.8-31.4179.357.80000112.7F14 L15F14-T17 PolarHBondContact O-N 2.93Å; F14-T17 PolarHBondContact O-OG1 3.07Å; L15-T17 PolarHBondContact O-N 2.93Å
18E92.8Very high93.5Very high128 Ų12880.2 Ų80.260%0.59840%0.403SS*.Hα-helixtrans-92.5-45.1-172.3-57.1-54.1121.500113.8F14 L15F14-E18 HydrophobicContact CD1-CG 4.34Å; F14-E18 HydrophobicContact CD2-CG 4.41Å; F14-E18 HydrophobicContact CE1-CG 3.82Å; F14-E18 HydrophobicContact CE2-CG 3.9Å; F14-E18 HydrophobicContact CZ-CG 3.59Å; L15-E18 PolarHBondContact O-N 3.06Å
19D94Very high93.6Very high70 Ų7082.4 Ų82.437%0.37442%0.419SS..  trans-157.8100.4-172-173-21.8000110.7L15 E21 L22 R23L15-D19 CarbonylContact O-C 3.18Å; L15-D19 PolarHBondContact O-N 2.89Å; D19-E21 PolarHBondContact OD1-N 2.99Å; D19-E21 VanDerWaalsContact OD1-N 3.12Å; D19-L22 HydrophobicContact CB-CB 3.91Å; D19-L22 PolarHBondContact OD1-N 3.37Å; D19-L22 WeakPolarHBondContact OD2-CB 3.06Å; D19-R23 VanDerWaalsContact O-CB 3.31Å; D19-R23 WeakPolarHBondContact O-CB 3.28Å; D19-R23 PolarHBondContact O-N 2.9Å
20T93.2Very high93.7Very high96 Ų9680.8 Ų80.859%0.58941%0.405SS*.Hα-helixtrans-70.7-32.5-176.952.40000113R23 D24T20-R23 WeakPolarHBondContact O-CB 3.02Å; T20-R23 PolarHBondContact O-N 3.2Å; T20-D24 PolarHBondContact O-N 3.12Å
21E94.6Very high93.7Very high142 Ų14277.3 Ų77.366%0.66439%0.386SS*.Hα-helixtrans-68.6-47.3177.4-174.7-178.5171.100110.1D19 R23 D24 N25D19-E21 PolarHBondContact OD1-N 2.99Å; D19-E21 VanDerWaalsContact OD1-N 3.12Å; E21-R23 VanDerWaalsContact C-N 3.32Å; E21-R23 PolarHBondContact O-N 3Å; E21-D24 PolarHBondContact O-N 3.15Å; E21-N25 WeakPolarHBondContact O-CB 3.36Å; E21-N25 VanDerWaalsContact O-CG 3.28Å; E21-N25 PolarHBondContact O-N 3.32Å; E21-N25 PolarHBondContact O-ND2 3.44Å
22L94.2Very high93.8Very high76 Ų7679.1 Ų79.140%0.39839%0.391SS..Hα-helixtrans-62-41.8175.1-177.259.6000111.2L15 D19 D24 N25 V26L15-L22 HydrophobicContact CD1-CD2 4.4Å; L15-L22 HydrophobicContact CD1-CG 4.12Å; L15-L22 HydrophobicContact CD2-CD2 3.8Å; L15-L22 HydrophobicContact CD2-CG 4.27Å; D19-L22 HydrophobicContact CB-CB 3.91Å; D19-L22 PolarHBondContact OD1-N 3.37Å; D19-L22 WeakPolarHBondContact OD2-CB 3.06Å; L22-D24 VanDerWaalsContact C-N 3.35Å; L22-D24 PolarHBondContact O-N 3.08Å; L22-N25 PolarHBondContact O-N 3.24Å; L22-V26 HydrophobicContact CD1-CG2 4.11Å; L22-V26 HydrophobicContact CG-CG2 4.33Å; L22-V26 VanDerWaalsContact O-CG2 3.28Å; L22-V26 WeakPolarHBondContact O-CG2 3.45Å; L22-V26 PolarHBondContact O-N 3.03Å
23R94.7Very high93.9Very high65 Ų6579.9 Ų79.925%0.24540%0.395CS..Hα-helixtrans-55.2-49.5175.4-178.3-101.5164.3-177.6-2.8111.7I12 L15 K16 D19 T20 E21 N25 V26 E27I12-R23 HydrophobicContact CG2-CG 4.25Å; L15-R23 HydrophobicContact CB-CB 3.6Å; L15-R23 HydrophobicContact CB-CG 4.08Å; K16-R23 HydrophobicContact CG-CG 4.13Å; D19-R23 VanDerWaalsContact O-CB 3.31Å; D19-R23 WeakPolarHBondContact O-CB 3.28Å; D19-R23 PolarHBondContact O-N 2.9Å; T20-R23 WeakPolarHBondContact O-CB 3.02Å; T20-R23 PolarHBondContact O-N 3.2Å; E21-R23 VanDerWaalsContact C-N 3.32Å; E21-R23 PolarHBondContact O-N 3Å; R23-N25 VanDerWaalsContact C-N 3.33Å; R23-N25 PolarHBondContact O-N 3.47Å; R23-V26 PolarHBondContact O-N 3.06Å; R23-E27 IonicContact NH2-OE2 3.07Å; R23-E27 PolarHBondContact NH2-OE2 3.3Å; R23-E27 WeakPolarHBondContact O-CB 2.85Å; R23-E27 PolarHBondContact O-N 3.46Å
24D94.4Very high94Very high68 Ų6873.5 Ų73.536%0.36437%0.366SS..Hα-helixtrans-67.4-36.5-178.2-75.9-8.7000111.5T20 E21 L22 K28T20-D24 PolarHBondContact O-N 3.12Å; E21-D24 PolarHBondContact O-N 3.15Å; L22-D24 VanDerWaalsContact C-N 3.35Å; L22-D24 PolarHBondContact O-N 3.08Å; D24-K28 WeakPolarHBondContact O-CB 3.14Å; D24-K28 WeakPolarHBondContact O-CG 3.17Å; D24-K28 PolarHBondContact O-N 3.19Å
25N94.1Very high94.1Very high74 Ų7467.8 Ų67.840%0.39634%0.341SS..Hα-helixtrans-66.6-41.8175.2-71.3-26000112.5E21 L22 R23 S29E21-N25 WeakPolarHBondContact O-CB 3.36Å; E21-N25 VanDerWaalsContact O-CG 3.28Å; E21-N25 PolarHBondContact O-N 3.32Å; E21-N25 PolarHBondContact O-ND2 3.44Å; L22-N25 PolarHBondContact O-N 3.24Å; R23-N25 VanDerWaalsContact C-N 3.33Å; R23-N25 PolarHBondContact O-N 3.47Å; N25-S29 PolarHBondContact O-N 2.91Å; N25-S29 PolarHBondContact O-OG 2.95Å
26V93.3Very high94.2Very high22 Ų2269.3 Ų69.313%0.13335%0.348CS..Hα-helixtrans-66.9-43.1176.2175.60000110.8F4 F8 I12 L15 L22 R23 S29 R30 I33F4-V26 HydrophobicContact CZ-CG1 4.25Å; F8-V26 HydrophobicContact CE2-CG1 3.85Å; F8-V26 HydrophobicContact CZ-CG1 4.01Å; F8-V26 WeakPolarHBondContact CZ-O 3.3Å; I12-V26 HydrophobicContact CD1-CB 4.05Å; I12-V26 HydrophobicContact CD1-CG1 3.78Å; L15-V26 HydrophobicContact CD1-CB 4.43Å; L15-V26 HydrophobicContact CD1-CG2 4.08Å; L22-V26 HydrophobicContact CD1-CG2 4.11Å; L22-V26 HydrophobicContact CG-CG2 4.33Å; L22-V26 VanDerWaalsContact O-CG2 3.28Å; L22-V26 WeakPolarHBondContact O-CG2 3.45Å; L22-V26 PolarHBondContact O-N 3.03Å; R23-V26 PolarHBondContact O-N 3.06Å; V26-S29 CarbonylContact O-C 3.38Å; V26-S29 PolarHBondContact O-N 3.12Å; V26-S29 VanDerWaalsContact O-N 3.12Å; V26-R30 PolarHBondContact O-N 3.36Å; V26-I33 HydrophobicContact CG1-CD1 4.39Å
27E92.9Very high94.4Very high55 Ų5563.7 Ų63.726%0.25732%0.323SS..Hα-helixtrans-62.2-44.2177.1-169.381-121.900111.6I12 R23 S29 R30I12-E27 HydrophobicContact CD1-CB 3.99Å; I12-E27 VanDerWaalsContact CG2-OE2 3.25Å; I12-E27 WeakPolarHBondContact CG2-OE2 3.2Å; R23-E27 IonicContact NH2-OE2 3.07Å; R23-E27 PolarHBondContact NH2-OE2 3.3Å; R23-E27 WeakPolarHBondContact O-CB 2.85Å; R23-E27 PolarHBondContact O-N 3.46Å; E27-S29 PolarHBondContact O-N 2.93Å; E27-R30 VanDerWaalsContact O-CB 3.22Å; E27-R30 WeakPolarHBondContact O-CB 3.46Å; E27-R30 PolarHBondContact O-N 2.92Å; E27-R30 VanDerWaalsContact O-N 3.12Å; E27-R30 IonicContact OE1-NH1 2.96Å; E27-R30 PolarHBondContact OE1-NH1 3.47Å
28K92.7Very high94.7Very high158 Ų15858.6 Ų58.669%0.68729%0.292SS*.Hα-helixtrans-58.5-30.7174.9-76170.7-173.2170.60112.5D24 R30D24-K28 WeakPolarHBondContact O-CB 3.14Å; D24-K28 WeakPolarHBondContact O-CG 3.17Å; D24-K28 PolarHBondContact O-N 3.19Å; K28-R30 VanDerWaalsContact C-N 3.33Å
29S93.4Very high94.9Very high49 Ų4952.7 Ų52.734%0.34326%0.264SS..THydrogen-bonded Turntrans-89.59.2-178.6-51.90000113.9N25 V26 E27 A31 E32 I33N25-S29 PolarHBondContact O-N 2.91Å; N25-S29 PolarHBondContact O-OG 2.95Å; V26-S29 CarbonylContact O-C 3.38Å; V26-S29 PolarHBondContact O-N 3.12Å; V26-S29 VanDerWaalsContact O-N 3.12Å; E27-S29 PolarHBondContact O-N 2.93Å; S29-A31 VanDerWaalsContact C-N 3.31Å; S29-A31 PolarHBondContact O-N 2.93Å; S29-E32 VanDerWaalsContact C-OE2 3.23Å; S29-E32 VanDerWaalsContact CA-OE2 3.22Å; S29-E32 WeakPolarHBondContact CA-OE2 3.28Å; S29-E32 PolarHBondContact O-N 3.35Å; S29-I33 WeakPolarHBondContact O-CB 3.39Å; S29-I33 WeakPolarHBondContact O-CD1 3.45Å; S29-I33 VanDerWaalsContact O-CG1 3.23Å; S29-I33 WeakPolarHBondContact O-CG1 3.25Å; S29-I33 PolarHBondContact O-N 3.4Å
30R94.2Very high95Very high62 Ų6254.6 Ų54.623%0.23427%0.267CS..Hα-helixtrans-57-42.9-173-174.4173.6-170.1134.65.7112.4Y5 F8 D9 V26 E27 K28 I33 A34 L92Y5-R30 HydrophobicContact CE2-CG 4.5Å; F8-R30 HydrophobicContact CD1-CG 4.18Å; F8-R30 HydrophobicContact CE1-CB 3.94Å; F8-R30 HydrophobicContact CE1-CG 3.59Å; F8-R30 HydrophobicContact CE2-CB 4.2Å; F8-R30 HydrophobicContact CE2-CG 4.19Å; F8-R30 HydrophobicContact CZ-CB 3.51Å; F8-R30 HydrophobicContact CZ-CG 3.6Å; D9-R30 IonicContact OD1-CZ 2.66Å; D9-R30 VanDerWaalsContact OD1-CZ 3.29Å; D9-R30 IonicContact OD1-NH1 3.84Å; D9-R30 PolarHBondContact OD1-NH1 2.99Å; D9-R30 IonicContact OD1-NH2 2.67Å; D9-R30 PolarHBondContact OD1-NH2 3.02Å; D9-R30 IonicContact OD2-NH2 3.65Å; D9-R30 PolarHBondContact OD2-NH2 2.92Å; V26-R30 PolarHBondContact O-N 3.36Å; E27-R30 VanDerWaalsContact O-CB 3.22Å; E27-R30 WeakPolarHBondContact O-CB 3.46Å; E27-R30 PolarHBondContact O-N 2.92Å; E27-R30 VanDerWaalsContact O-N 3.12Å; E27-R30 IonicContact OE1-NH1 2.96Å; E27-R30 PolarHBondContact OE1-NH1 3.47Å; K28-R30 VanDerWaalsContact C-N 3.33Å; R30-I33 PolarHBondContact O-N 3.06Å; R30-A34 WeakPolarHBondContact O-CB 3.34Å; R30-A34 PolarHBondContact O-N 3.22Å; R30-L92 HydrophobicContact CG-CD1 4.26Å; R30-L92 HydrophobicContact CG-CD2 4.08Å
31A95.2Very high95.2Very high15 Ų1553.6 Ų53.612%0.12426%0.258CS..Hα-helixtrans-67.3-44.6-179.200000111.6S29 I33 A34 F35 L89 L92 L98 V102 F106S29-A31 VanDerWaalsContact C-N 3.31Å; S29-A31 PolarHBondContact O-N 2.93Å; A31-I33 VanDerWaalsContact C-N 3.33Å; A31-I33 PolarHBondContact O-N 3.36Å; A31-A34 PolarHBondContact O-N 3.35Å; A31-F35 WeakPolarHBondContact O-CB 3.48Å; A31-F35 PolarHBondContact O-N 3.3Å; A31-L89 WeakPolarHBondContact O-CD2 3.16Å; A31-L92 HydrophobicContact CB-CD1 4.48Å; A31-L98 HydrophobicContact CB-CD2 3.84Å; A31-V102 HydrophobicContact CB-CG1 3.97Å; A31-F106 HydrophobicContact CB-CE2 4.49Å; A31-F106 HydrophobicContact CB-CZ 4.02Å; A31-F106 WeakPolarHBondContact O-CZ 3.36Å
32E95.3Very high95.3Very high75 Ų7548.6 Ų48.635%0.3523%0.234SC..Hα-helixtrans-60.8-44.1176.2-66.875.5-17100110.7S29 F35 M36 F106S29-E32 VanDerWaalsContact C-OE2 3.23Å; S29-E32 VanDerWaalsContact CA-OE2 3.22Å; S29-E32 WeakPolarHBondContact CA-OE2 3.28Å; S29-E32 PolarHBondContact O-N 3.35Å; E32-F35 PolarHBondContact O-N 2.89Å; E32-M36 WeakPolarHBondContact O-CB 3.33Å; E32-M36 WeakPolarHBondContact O-CG 3.46Å; E32-M36 PolarHBondContact O-N 2.87Å; E32-F106 HydrophobicContact CG-CE1 4.21Å
33I95.2Very high95.4Very high23 Ų2346.4 Ų46.412%0.11822%0.221CC..Hα-helixtrans-65.8-41-179.9-67.8163.5000110.9M1 F4 Y5 F8 V26 S29 R30 A31 M36 A37M1-I33 HydrophobicContact CE-CB 4.41Å; M1-I33 HydrophobicContact CE-CG1 4.36Å; M1-I33 HydrophobicContact CE-CG2 3.9Å; F4-I33 HydrophobicContact CD1-CG2 3.72Å; F4-I33 HydrophobicContact CE1-CD1 4.03Å; F4-I33 HydrophobicContact CE1-CG2 3.88Å; Y5-I33 HydrophobicContact CD2-CG2 3.93Å; F8-I33 HydrophobicContact CD2-CG2 4.31Å; F8-I33 HydrophobicContact CE2-CB 4.5Å; F8-I33 HydrophobicContact CE2-CD1 3.84Å; F8-I33 HydrophobicContact CE2-CG2 4.43Å; V26-I33 HydrophobicContact CG1-CD1 4.39Å; S29-I33 WeakPolarHBondContact O-CB 3.39Å; S29-I33 WeakPolarHBondContact O-CD1 3.45Å; S29-I33 VanDerWaalsContact O-CG1 3.23Å; S29-I33 WeakPolarHBondContact O-CG1 3.25Å; S29-I33 PolarHBondContact O-N 3.4Å; R30-I33 PolarHBondContact O-N 3.06Å; A31-I33 VanDerWaalsContact C-N 3.33Å; A31-I33 PolarHBondContact O-N 3.36Å; I33-M36 PolarHBondContact O-N 3.07Å; I33-A37 VanDerWaalsContact O-CB 3.28Å; I33-A37 WeakPolarHBondContact O-CB 3.42Å; I33-A37 PolarHBondContact O-N 3.17Å
34A95.7Very high95.4Very high0 Ų047.3 Ų47.30%023%0.231CC..Hα-helixtrans-60.9-50.6174.100000111.7Y5 R30 A31 M36 A37 D38 N88 L89 L92Y5-A34 HydrophobicContact CD2-CB 4.1Å; Y5-A34 HydrophobicContact CE1-CB 4.31Å; Y5-A34 HydrophobicContact CE2-CB 3.43Å; Y5-A34 VanDerWaalsContact CE2-CB 3.43Å; R30-A34 WeakPolarHBondContact O-CB 3.34Å; R30-A34 PolarHBondContact O-N 3.22Å; A31-A34 PolarHBondContact O-N 3.35Å; A34-M36 PolarHBondContact O-N 3.44Å; A34-A37 PolarHBondContact O-N 2.63Å; A34-D38 PolarHBondContact O-N 2.74Å; A34-N88 HydrophobicContact CB-CB 3.98Å; A34-L89 HydrophobicContact CB-CD2 3.96Å; A34-L89 HydrophobicContact CB-CG 4.45Å; A34-L92 HydrophobicContact CB-CD1 3.46Å; A34-L92 VanDerWaalsContact CB-CD1 3.46Å; A34-L92 HydrophobicContact CB-CG 4.46Å
35F97Very high95.5Very high2 Ų250 Ų501%0.00924%0.239CC..Hα-helixtrans-56.3-49.4176.6171.4-97.1000111.3A31 E32 A37 D38 L39 L78 F86 L89 F106 H109 L110A31-F35 WeakPolarHBondContact O-CB 3.48Å; A31-F35 PolarHBondContact O-N 3.3Å; E32-F35 PolarHBondContact O-N 2.89Å; F35-A37 PolarHBondContact O-N 3.31Å; F35-D38 PolarHBondContact O-N 3.29Å; F35-L39 HydrophobicContact CE1-CD2 3.82Å; F35-L39 HydrophobicContact CZ-CD2 4.01Å; F35-L39 WeakPolarHBondContact O-CB 3.25Å; F35-L39 PolarHBondContact O-N 3.19Å; F35-L78 HydrophobicContact CE2-CD1 4.2Å; F35-F86 HydrophobicContact CD2-CD1 4.13Å; F35-F86 AromaticContact CD2-CE1 3.96Å; F35-F86 HydrophobicContact CD2-CE1 3.96Å; F35-F86 HydrophobicContact CE2-CD1 4.35Å; F35-F86 AromaticContact CE2-CE1 3.71Å; F35-F86 HydrophobicContact CE2-CE1 3.71Å; F35-F86 HydrophobicContact CE2-CZ 4.19Å; F35-L89 HydrophobicContact CB-CD1 3.82Å; F35-L89 HydrophobicContact CB-CD2 4.1Å; F35-L89 HydrophobicContact CB-CG 4.11Å; F35-L89 HydrophobicContact CD2-CD1 3.69Å; F35-L89 HydrophobicContact CG-CD1 4.24Å; F35-F106 HydrophobicContact CB-CD1 4.13Å; F35-F106 HydrophobicContact CB-CD2 4.3Å; F35-F106 HydrophobicContact CB-CE1 3.83Å; F35-F106 HydrophobicContact CB-CE2 4Å; F35-F106 HydrophobicContact CB-CG 4.37Å; F35-F106 HydrophobicContact CB-CZ 3.76Å; F35-F106 AromaticContact CD1-CD1 3.95Å; F35-F106 HydrophobicContact CD1-CD1 3.95Å; F35-F106 HydrophobicContact CD1-CE1 4.23Å; F35-F106 HydrophobicContact CD1-CG 4.45Å; F35-F106 HydrophobicContact CD2-CB 4.02Å; F35-F106 HydrophobicContact CD2-CD1 4.11Å; F35-F106 HydrophobicContact CD2-CD2 4.04Å; F35-F106 AromaticContact CD2-CG 3.79Å; F35-F106 HydrophobicContact CD2-CG 3.79Å; F35-F106 HydrophobicContact CE1-CD1 4.47Å; F35-F106 HydrophobicContact CE2-CB 3.92Å; F35-F106 HydrophobicContact CE2-CG 4.2Å; F35-F106 AromaticContact CG-CD1 3.76Å; F35-F106 HydrophobicContact CG-CD1 3.76Å; F35-F106 HydrophobicContact CG-CD2 4.23Å; F35-F106 AromaticContact CG-CE1 3.97Å; F35-F106 HydrophobicContact CG-CE1 3.97Å; F35-F106 HydrophobicContact CG-CE2 4.41Å; F35-F106 AromaticContact CG-CG 3.91Å; F35-F106 HydrophobicContact CG-CG 3.91Å; F35-F106 HydrophobicContact CG-CZ 4.29Å; F35-F106 HydrophobicContact CZ-CB 4.4Å; F35-H109 AromaticContact CE1-CE1 3.78Å; F35-H109 AromaticContact CE1-ND1 3.25Å; F35-H109 WeakPolarHBondContact CE1-ND1 3.43Å; F35-H109 AromaticContact CZ-ND1 3.89Å; F35-L110 HydrophobicContact CE2-CD1 4.32Å; F35-L110 HydrophobicContact CE2-CD2 4.34Å; F35-L110 HydrophobicContact CE2-CG 4.22Å; F35-L110 HydrophobicContact CZ-CD2 4Å; F35-L110 HydrophobicContact CZ-CG 4.01Å
36M97.1Very high95.6Very high47 Ų4746.8 Ų46.823%0.23222%0.222CC..Hα-helixtrans-64.1-40.7179.4-69.9-56.7-69.200111.2M1 E32 I33 A34 D38 L39 Y40M1-M36 HydrophobicContact CE-CB 4.25Å; E32-M36 WeakPolarHBondContact O-CB 3.33Å; E32-M36 WeakPolarHBondContact O-CG 3.46Å; E32-M36 PolarHBondContact O-N 2.87Å; I33-M36 PolarHBondContact O-N 3.07Å; A34-M36 PolarHBondContact O-N 3.44Å; M36-D38 VanDerWaalsContact C-N 3.33Å; M36-D38 PolarHBondContact O-N 3.2Å; M36-L39 PolarHBondContact O-N 2.71Å; M36-L39 HydrophobicContact SD-CD2 4.28Å; M36-Y40 HydrophobicContact CB-CD2 4.29Å; M36-Y40 HydrophobicContact CB-CE2 4.35Å; M36-Y40 HydrophobicContact CE-CD2 4.24Å; M36-Y40 HydrophobicContact CE-CE2 3.49Å; M36-Y40 VanDerWaalsContact CE-CE2 3.49Å; M36-Y40 WeakPolarHBondContact O-CB 3Å; M36-Y40 WeakPolarHBondContact O-CD2 3.42Å; M36-Y40 PolarHBondContact O-N 3.09Å
37A97Very high95.6Very high0 Ų048.8 Ų48.80%023%0.232CC..Hα-helixtrans-59-43.7176.600000112.3M1 Y5 I33 A34 F35 L41M1-A37 HydrophobicContact CB-CB 4.22Å; Y5-A37 HydrophobicContact CG-CB 4.42Å; I33-A37 VanDerWaalsContact O-CB 3.28Å; I33-A37 WeakPolarHBondContact O-CB 3.42Å; I33-A37 PolarHBondContact O-N 3.17Å; A34-A37 PolarHBondContact O-N 2.63Å; F35-A37 PolarHBondContact O-N 3.31Å; A37-L41 PolarHBondContact O-N 3.27Å
38D97.8Very high95.6Very high4 Ų451.6 Ų51.62%0.02125%0.248CC..Hα-helixtrans-66-43.8174.7-77.3-25.5000112.2A34 F35 M36 L41 K42 F86 N88 L89A34-D38 PolarHBondContact O-N 2.74Å; F35-D38 PolarHBondContact O-N 3.29Å; M36-D38 VanDerWaalsContact C-N 3.33Å; M36-D38 PolarHBondContact O-N 3.2Å; D38-L41 WeakPolarHBondContact O-CB 3.47Å; D38-L41 PolarHBondContact O-N 2.87Å; D38-K42 WeakPolarHBondContact O-CG 3.47Å; D38-K42 PolarHBondContact O-N 3.28Å; D38-F86 HydrophobicContact CB-CB 4.28Å; D38-F86 HydrophobicContact CB-CD1 3.61Å; D38-F86 HydrophobicContact CB-CE1 4.44Å; D38-F86 HydrophobicContact CB-CG 4.37Å; D38-F86 WeakPolarHBondContact OD2-CA 3.38Å; D38-F86 VanDerWaalsContact OD2-CB 3.31Å; D38-F86 WeakPolarHBondContact OD2-CB 3.47Å; D38-N88 PolarHBondContact OD1-N 3.43Å; D38-N88 PolarHBondContact OD1-ND2 3.22Å; D38-N88 WeakPolarHBondContact OD2-CB 3.47Å; D38-N88 PolarHBondContact OD2-N 3.08Å; D38-L89 PolarHBondContact OD2-N 3.17Å
39L97.1Very high95.7Very high3 Ų349.1 Ų49.12%0.01624%0.239CC..Hα-helixtrans-63.8-45179.3-175.663.1000111.8F35 M36 L41 K42 F43 L71 L110 L113F35-L39 HydrophobicContact CE1-CD2 3.82Å; F35-L39 HydrophobicContact CZ-CD2 4.01Å; F35-L39 WeakPolarHBondContact O-CB 3.25Å; F35-L39 PolarHBondContact O-N 3.19Å; M36-L39 PolarHBondContact O-N 2.71Å; M36-L39 HydrophobicContact SD-CD2 4.28Å; L39-L41 VanDerWaalsContact C-N 3.29Å; L39-L41 PolarHBondContact O-N 3.01Å; L39-K42 WeakPolarHBondContact O-CA 3.33Å; L39-K42 WeakPolarHBondContact O-CB 3.29Å; L39-K42 PolarHBondContact O-N 3.31Å; L39-F43 HydrophobicContact CD1-CD2 4.41Å; L39-F43 HydrophobicContact CD1-CE2 4Å; L39-F43 HydrophobicContact CD2-CE2 4.17Å; L39-F43 HydrophobicContact CG-CD2 4.01Å; L39-F43 HydrophobicContact CG-CE2 3.76Å; L39-F43 WeakPolarHBondContact O-CD2 3.42Å; L39-F43 PolarHBondContact O-N 3.02Å; L39-L71 HydrophobicContact CD1-CD2 4.41Å; L39-L110 HydrophobicContact CD1-CD2 4.14Å; L39-L113 HydrophobicContact CD1-CD2 4.03Å; L39-L113 HydrophobicContact CD2-CD2 3.9Å; L39-L113 HydrophobicContact CG-CD2 4.43Å
40Y96.2Very high95.8Very high111 Ų11147.6 Ų47.644%0.43523%0.227SC..Hα-helixtrans-62.1-35.4175.9-85.3-68000112.4M1 M36 K42 F43 N44M1-Y40 HydrophobicContact CB-CD2 3.95Å; M1-Y40 HydrophobicContact CG-CD2 3.58Å; M1-Y40 HydrophobicContact CG-CE2 3.78Å; M1-Y40 HydrophobicContact CG-CG 4.47Å; M36-Y40 HydrophobicContact CB-CD2 4.29Å; M36-Y40 HydrophobicContact CB-CE2 4.35Å; M36-Y40 HydrophobicContact CE-CD2 4.24Å; M36-Y40 HydrophobicContact CE-CE2 3.49Å; M36-Y40 VanDerWaalsContact CE-CE2 3.49Å; M36-Y40 WeakPolarHBondContact O-CB 3Å; M36-Y40 WeakPolarHBondContact O-CD2 3.42Å; M36-Y40 PolarHBondContact O-N 3.09Å; Y40-K42 VanDerWaalsContact C-N 3.26Å; Y40-K42 PolarHBondContact O-N 2.79Å; Y40-F43 PolarHBondContact O-N 3.27Å; Y40-N44 WeakPolarHBondContact O-CB 3.49Å; Y40-N44 VanDerWaalsContact O-CG 3.25Å; Y40-N44 PolarHBondContact O-N 3.37Å; Y40-N44 PolarHBondContact O-ND2 3.04Å
41L96.4Very high95.6Very high74 Ų7449 Ų4939%0.38724%0.236SC..Hα-helixtrans-61.2-38.7173.5-179.264.1000111.2A37 D38 L39 N44 K45A37-L41 PolarHBondContact O-N 3.27Å; D38-L41 WeakPolarHBondContact O-CB 3.47Å; D38-L41 PolarHBondContact O-N 2.87Å; L39-L41 VanDerWaalsContact C-N 3.29Å; L39-L41 PolarHBondContact O-N 3.01Å; L41-N44 PolarHBondContact O-N 2.89Å; L41-K45 WeakPolarHBondContact O-CG 3.44Å; L41-K45 PolarHBondContact O-N 3.42Å
42K97.1Very high95.2Very high38 Ų3849.3 Ų49.317%0.16524%0.241CC..Hα-helixtrans-68-42.4176.1-59.5176.2-170.2-49.60111.6D38 L39 Y40 N44 K45 M46 F67 F74 Q85D38-K42 WeakPolarHBondContact O-CG 3.47Å; D38-K42 PolarHBondContact O-N 3.28Å; L39-K42 WeakPolarHBondContact O-CA 3.33Å; L39-K42 WeakPolarHBondContact O-CB 3.29Å; L39-K42 PolarHBondContact O-N 3.31Å; Y40-K42 VanDerWaalsContact C-N 3.26Å; Y40-K42 PolarHBondContact O-N 2.79Å; K42-N44 VanDerWaalsContact C-N 3.34Å; K42-N44 PolarHBondContact O-N 3.31Å; K42-K45 PolarHBondContact O-N 3.26Å; K42-M46 PolarHBondContact O-N 3.21Å; K42-F67 HydrophobicContact CB-CE2 3.92Å; K42-F67 HydrophobicContact CB-CZ 4.46Å; K42-F74 HydrophobicContact CD-CD2 4.04Å; K42-F74 HydrophobicContact CD-CE2 3.39Å; K42-F74 HydrophobicContact CD-CZ 3.69Å; K42-Q85 WeakPolarHBondContact CE-O 3.22Å; K42-Q85 PolarHBondContact NZ-O 3.34Å
43F96Very high94.6Very high30 Ų3048.7 Ų48.713%0.13224%0.24CC..Hα-helixtrans-57.5-46.8172.9-86.1-63.9000112L39 Y40 K45 M46 N47 F67 L113 M117L39-F43 HydrophobicContact CD1-CD2 4.41Å; L39-F43 HydrophobicContact CD1-CE2 4Å; L39-F43 HydrophobicContact CD2-CE2 4.17Å; L39-F43 HydrophobicContact CG-CD2 4.01Å; L39-F43 HydrophobicContact CG-CE2 3.76Å; L39-F43 WeakPolarHBondContact O-CD2 3.42Å; L39-F43 PolarHBondContact O-N 3.02Å; Y40-F43 PolarHBondContact O-N 3.27Å; F43-K45 VanDerWaalsContact C-N 3.31Å; F43-K45 PolarHBondContact O-N 3.24Å; F43-M46 HydrophobicContact CD1-CE 4.07Å; F43-M46 HydrophobicContact CE1-CE 4.44Å; F43-M46 WeakPolarHBondContact O-CB 3.29Å; F43-M46 PolarHBondContact O-N 3.5Å; F43-M46 VanDerWaalsContact O-N 3.12Å; F43-N47 WeakPolarHBondContact O-CB 3.37Å; F43-N47 VanDerWaalsContact O-CG 3.28Å; F43-N47 PolarHBondContact O-N 3Å; F43-F67 AromaticContact CD1-CE1 3.96Å; F43-F67 HydrophobicContact CD1-CE1 3.96Å; F43-F67 AromaticContact CD1-CZ 3.7Å; F43-F67 HydrophobicContact CD1-CZ 3.7Å; F43-F67 HydrophobicContact CD2-CZ 4.42Å; F43-F67 HydrophobicContact CE1-CD1 4.49Å; F43-F67 AromaticContact CE1-CE1 3.41Å; F43-F67 HydrophobicContact CE1-CE1 3.41Å; F43-F67 VanDerWaalsContact CE1-CE1 3.41Å; F43-F67 AromaticContact CE1-CZ 3.57Å; F43-F67 HydrophobicContact CE1-CZ 3.57Å; F43-F67 HydrophobicContact CE2-CZ 4.33Å; F43-F67 HydrophobicContact CG-CZ 4.1Å; F43-F67 AromaticContact CZ-CE1 3.81Å; F43-F67 HydrophobicContact CZ-CE1 3.81Å; F43-F67 AromaticContact CZ-CZ 3.9Å; F43-F67 HydrophobicContact CZ-CZ 3.9Å; F43-L113 HydrophobicContact CE2-CD2 3.87Å; F43-L113 HydrophobicContact CZ-CD1 3.93Å; F43-L113 HydrophobicContact CZ-CD2 3.74Å; F43-L113 HydrophobicContact CZ-CG 4.2Å; F43-M117 HydrophobicContact CE1-CE 3.34Å; F43-M117 HydrophobicContact CE1-SD 4.33Å; F43-M117 HydrophobicContact CZ-CE 3.59Å
44N95Very high94.2Very high83 Ų8353.4 Ų53.444%0.44426%0.261SS..Hα-helixtrans-60.4-41.8177.7-70.5-15.3000111.6Y40 L41 K42 M46 N47 L48Y40-N44 WeakPolarHBondContact O-CB 3.49Å; Y40-N44 VanDerWaalsContact O-CG 3.25Å; Y40-N44 PolarHBondContact O-N 3.37Å; Y40-N44 PolarHBondContact O-ND2 3.04Å; L41-N44 PolarHBondContact O-N 2.89Å; K42-N44 VanDerWaalsContact C-N 3.34Å; K42-N44 PolarHBondContact O-N 3.31Å; N44-M46 VanDerWaalsContact C-N 3.32Å; N44-M46 PolarHBondContact O-N 3.14Å; N44-N47 PolarHBondContact O-N 2.72Å; N44-L48 WeakPolarHBondContact O-CB 3.49Å; N44-L48 VanDerWaalsContact O-CG 3.29Å; N44-L48 WeakPolarHBondContact O-CG 3.36Å; N44-L48 PolarHBondContact O-N 2.62Å
45K96.2Very high94.1Very high125 Ų12554.3 Ų54.354%0.54327%0.266SS..Hα-helixtrans-62-36.7175.3-73.4177.8-178.6-175.50113L41 K42 F43 Q49L41-K45 WeakPolarHBondContact O-CG 3.44Å; L41-K45 PolarHBondContact O-N 3.42Å; K42-K45 PolarHBondContact O-N 3.26Å; F43-K45 VanDerWaalsContact C-N 3.31Å; F43-K45 PolarHBondContact O-N 3.24Å; K45-Q49 PolarHBondContact O-NE2 2.82Å
46M95.8Very high93.9Very high6 Ų654.3 Ų54.33%0.0327%0.266CS..Hα-helixtrans-69.7-48.4173.2-178.2-164.87200110.8K42 F43 N44 L48 Q49 L50 V63 F67K42-M46 PolarHBondContact O-N 3.21Å; F43-M46 HydrophobicContact CD1-CE 4.07Å; F43-M46 HydrophobicContact CE1-CE 4.44Å; F43-M46 WeakPolarHBondContact O-CB 3.29Å; F43-M46 PolarHBondContact O-N 3.5Å; F43-M46 VanDerWaalsContact O-N 3.12Å; N44-M46 VanDerWaalsContact C-N 3.32Å; N44-M46 PolarHBondContact O-N 3.14Å; M46-L48 VanDerWaalsContact C-N 3.28Å; M46-L48 PolarHBondContact O-N 3.48Å; M46-Q49 WeakPolarHBondContact O-CA 3.26Å; M46-Q49 WeakPolarHBondContact O-CB 3.43Å; M46-Q49 PolarHBondContact O-N 3.13Å; M46-L50 HydrophobicContact CE-CD1 4.14Å; M46-L50 HydrophobicContact CG-CD1 4.25Å; M46-L50 PolarHBondContact O-N 3.33Å; M46-L50 VanDerWaalsContact O-N 3.09Å; M46-V63 HydrophobicContact CG-CG1 3.81Å; M46-F67 HydrophobicContact CB-CD2 3.72Å; M46-F67 HydrophobicContact CB-CE2 4.09Å; M46-F67 HydrophobicContact CB-CG 4.19Å; M46-F67 HydrophobicContact CG-CB 4.01Å; M46-F67 HydrophobicContact CG-CD2 4.07Å; M46-F67 HydrophobicContact CG-CG 4.02Å; M46-F67 HydrophobicContact SD-CB 3.55Å; M46-F67 VanDerWaalsContact SD-CB 3.55Å; M46-F67 HydrophobicContact SD-CD1 3.49Å; M46-F67 WeakPolarHBondContact SD-CD1 3.39Å; M46-F67 HydrophobicContact SD-CD2 3.86Å; M46-F67 HydrophobicContact SD-CE1 4.11Å; M46-F67 HydrophobicContact SD-CE2 4.42Å; M46-F67 HydrophobicContact SD-CG 3.34Å; M46-F67 WeakPolarHBondContact SD-CG 3.45Å
47N93.4Very high93.9Very high65 Ų6553.5 Ų53.535%0.34826%0.262SS..Hα-helixtrans-58.6-39.2-179-72.7-15000112F43 N44 Q49 L50 Q51F43-N47 WeakPolarHBondContact O-CB 3.37Å; F43-N47 VanDerWaalsContact O-CG 3.28Å; F43-N47 PolarHBondContact O-N 3Å; N44-N47 PolarHBondContact O-N 2.72Å; N47-Q49 VanDerWaalsContact C-N 3.26Å; N47-Q49 PolarHBondContact O-N 3.13Å; N47-L50 CarbonylContact O-C 3.49Å; N47-L50 WeakPolarHBondContact O-CA 3.37Å; N47-L50 PolarHBondContact O-N 3.23Å; N47-Q51 VanDerWaalsContact O-CG 3.31Å; N47-Q51 WeakPolarHBondContact O-CG 3.49Å; N47-Q51 PolarHBondContact O-N 3.4Å
48L94.2Very high93.8Very high114 Ų11453.9 Ų53.960%0.59727%0.265SS*.Hα-helixtrans-61.1-33.6173.8-73.3170.8000112.9N44 M46 L50 Q51N44-L48 WeakPolarHBondContact O-CB 3.49Å; N44-L48 VanDerWaalsContact O-CG 3.29Å; N44-L48 WeakPolarHBondContact O-CG 3.36Å; N44-L48 PolarHBondContact O-N 2.62Å; M46-L48 VanDerWaalsContact C-N 3.28Å; M46-L48 PolarHBondContact O-N 3.48Å; L48-L50 VanDerWaalsContact C-N 3.33Å; L48-Q51 PolarHBondContact O-N 2.96Å
49Q94.6Very high93.7Very high105 Ų10557.2 Ų57.249%0.49128%0.279SS..Hα-helixtrans-76.6-22.1175.1-69.91706900112.8K45 M46 N47 V63K45-Q49 PolarHBondContact O-NE2 2.82Å; M46-Q49 WeakPolarHBondContact O-CA 3.26Å; M46-Q49 WeakPolarHBondContact O-CB 3.43Å; M46-Q49 PolarHBondContact O-N 3.13Å; N47-Q49 VanDerWaalsContact C-N 3.26Å; N47-Q49 PolarHBondContact O-N 3.13Å; Q49-V63 HydrophobicContact CB-CG1 3.8Å; Q49-V63 HydrophobicContact CB-CG2 3.91Å
50L94.5Very high93.7Very high18 Ų1857.3 Ų57.39%0.09428%0.279CS..THydrogen-bonded Turntrans-87.111.2172.3-61.4178000112.4M46 N47 L48 L55 T60 V63 V64 S197M46-L50 HydrophobicContact CE-CD1 4.14Å; M46-L50 HydrophobicContact CG-CD1 4.25Å; M46-L50 PolarHBondContact O-N 3.33Å; M46-L50 VanDerWaalsContact O-N 3.09Å; N47-L50 CarbonylContact O-C 3.49Å; N47-L50 WeakPolarHBondContact O-CA 3.37Å; N47-L50 PolarHBondContact O-N 3.23Å; L48-L50 VanDerWaalsContact C-N 3.33Å; L50-L55 WeakPolarHBondContact O-CD2 3.1Å; L50-T60 HydrophobicContact CD2-CG2 4.05Å; L50-V63 HydrophobicContact CD2-CB 3.87Å; L50-V63 HydrophobicContact CD2-CG1 3.67Å; L50-V63 HydrophobicContact CG-CG1 3.89Å; L50-V64 HydrophobicContact CD1-CG2 4.39Å; L50-V64 HydrophobicContact CD2-CG2 4.32Å; L50-S197 WeakPolarHBondContact O-CB 3.5Å; L50-S197 PolarHBondContact O-OG 3.28Å
51Q90.8Very high93.7Very high92 Ų9254.3 Ų54.343%0.4327%0.269SS..  trans-113.1157173-69.3170.413.400109.8N47 L48 Y199N47-Q51 VanDerWaalsContact O-CG 3.31Å; N47-Q51 WeakPolarHBondContact O-CG 3.49Å; N47-Q51 PolarHBondContact O-N 3.4Å; L48-Q51 PolarHBondContact O-N 2.96Å; Q51-Y199 HydrophobicContact CB-CD2 3.68Å; Q51-Y199 HydrophobicContact CB-CE2 4.01Å; Q51-Y199 HydrophobicContact CB-CG 4.1Å; Q51-Y199 HydrophobicContact CG-CD2 3.73Å; Q51-Y199 HydrophobicContact CG-CE2 4.38Å; Q51-Y199 HydrophobicContact CG-CG 4.29Å
52G86.8Confident93.7Very high21 Ų2155.1 Ų55.122%0.21628%0.277CS..SBendtrans111.6160.7175.700000114.7Q54 L55 Y199G52-Q54 VanDerWaalsContact C-N 3.27Å; G52-Q54 PolarHBondContact O-N 3.27Å; G52-L55 WeakPolarHBondContact O-CB 3.3Å; G52-L55 PolarHBondContact O-N 3.22Å; G52-Y199 VanDerWaalsContact CA-CE1 3.43Å; G52-Y199 VanDerWaalsContact N-CE1 3.34Å
53D83.3Confident93.7Very high61 Ų6154.3 Ų54.333%0.32628%0.275SS..THydrogen-bonded Turntrans-75.5-20.5-164.7-59.719.5000113.2Y199 R203D53-Y199 WeakPolarHBondContact OD1-CE1 3.41Å; D53-R203 VanDerWaalsContact CG-CZ 3.45Å; D53-R203 IonicContact OD1-CZ 3.29Å; D53-R203 IonicContact OD1-NE 2.67Å; D53-R203 IonicContact OD1-NH1 2.91Å; D53-R203 PolarHBondContact OD1-NH1 3.08Å; D53-R203 IonicContact OD1-NH2 2.8Å; D53-R203 PolarHBondContact OD1-NH2 3Å; D53-R203 IonicContact OD2-CZ 3.83Å; D53-R203 VanDerWaalsContact OD2-CZ 3.29Å; D53-R203 IonicContact OD2-NH1 2.76Å; D53-R203 PolarHBondContact OD2-NH1 3.2Å; D53-R203 IonicContact OD2-NH2 3.29Å; D53-R203 PolarHBondContact OD2-NH2 3.28Å
54Q86Confident93.8Very high123 Ų12352.9 Ų52.958%0.57527%0.269SS*.THydrogen-bonded Turntrans-99.89.4-175-58.6-58.1-38.900112.3G52 K59G52-Q54 VanDerWaalsContact C-N 3.27Å; G52-Q54 PolarHBondContact O-N 3.27Å; Q54-K59 VanDerWaalsContact O-CD 3.31Å; Q54-K59 WeakPolarHBondContact O-CD 3.43Å; Q54-K59 PolarHBondContact O-NZ 3.27Å
55L93.3Very high93.9Very high19 Ų1953.2 Ų53.210%0.09927%0.266CS..  trans-74.1130.4178.5-171.271.5000109.9L50 G52 K59 P196L50-L55 WeakPolarHBondContact O-CD2 3.1Å; G52-L55 WeakPolarHBondContact O-CB 3.3Å; G52-L55 PolarHBondContact O-N 3.22Å; L55-K59 HydrophobicContact CD1-CB 4.01Å; L55-P196 HydrophobicContact CB-CG 4.47Å; L55-P196 HydrophobicContact CD2-CG 3.65Å; L55-P196 HydrophobicContact CG-CG 3.63Å
56N94.3Very high94Very high2 Ų249.1 Ų49.11%0.01126%0.256CS..  trans-135170175.459.641.6000109.2I58 K59 T60 Y168 T169 F191 L192N56-I58 PolarHBondContact O-N 3.47Å; N56-I58 WeakPolarHBondContact OD1-CB 3.4Å; N56-I58 PolarHBondContact OD1-N 2.85Å; N56-K59 PolarHBondContact O-N 3.11Å; N56-K59 VanDerWaalsContact O-N 3.1Å; N56-K59 WeakPolarHBondContact OD1-CG 3.46Å; N56-K59 PolarHBondContact OD1-N 3.28Å; N56-T60 PolarHBondContact O-N 3.44Å; N56-T60 PolarHBondContact O-OG1 2.68Å; N56-Y168 PolarHBondContact ND2-OH 3.47Å; N56-Y168 PolarHBondContact OD1-OH 2.88Å; N56-T169 PolarHBondContact ND2-OG1 3.3Å; N56-F191 WeakPolarHBondContact CB-O 3.35Å; N56-L192 HydrophobicContact CB-CD2 4.46Å
57L95.6Very high94.1Very high29 Ų2949.4 Ų49.415%0.15226%0.257CS..Hα-helixtrans-59-34.2-174.3-75.5168.1000112.7T60 K61 I124 M127 K190 F191 P194 P196L57-T60 PolarHBondContact O-N 2.87Å; L57-K61 WeakPolarHBondContact O-CB 3.4Å; L57-K61 PolarHBondContact O-N 3.35Å; L57-I124 HydrophobicContact CD2-CD1 3.6Å; L57-M127 HydrophobicContact CB-CE 3.92Å; L57-M127 HydrophobicContact CB-SD 3.85Å; L57-M127 HydrophobicContact CD1-SD 4.28Å; L57-M127 WeakPolarHBondContact O-CE 3.27Å; L57-K190 WeakPolarHBondContact CD1-O 3.49Å; L57-F191 PolarHBondContact N-O 3.16Å; L57-P194 HydrophobicContact CD1-CB 4.06Å; L57-P194 HydrophobicContact CD1-CG 3.93Å; L57-P194 HydrophobicContact CG-CB 4.41Å; L57-P196 HydrophobicContact CD2-CB 3.82Å; L57-P196 HydrophobicContact CG-CB 4.4Å
58I95.6Very high94.4Very high9 Ų946.5 Ų46.55%0.04624%0.242CC..Hα-helixtrans-61.4-52.2175.9-65.6166000110.2N56 T60 K61 T62 I129 I133 L134 Y168 F191 L192N56-I58 PolarHBondContact O-N 3.47Å; N56-I58 WeakPolarHBondContact OD1-CB 3.4Å; N56-I58 PolarHBondContact OD1-N 2.85Å; I58-T60 VanDerWaalsContact C-N 3.34Å; I58-T60 PolarHBondContact O-N 2.66Å; I58-K61 PolarHBondContact O-N 2.91Å; I58-T62 PolarHBondContact O-N 3.49Å; I58-T62 VanDerWaalsContact O-N 3.1Å; I58-T62 PolarHBondContact O-OG1 3.43Å; I58-I129 HydrophobicContact CB-CD1 4.2Å; I58-I129 HydrophobicContact CD1-CG2 4.13Å; I58-I129 HydrophobicContact CG1-CD1 3.85Å; I58-I129 HydrophobicContact CG1-CG1 4.12Å; I58-I129 HydrophobicContact CG1-CG2 4.08Å; I58-I129 HydrophobicContact CG2-CD1 4.13Å; I58-I133 HydrophobicContact CD1-CG2 3.94Å; I58-L134 HydrophobicContact CD1-CD2 4.03Å; I58-L134 HydrophobicContact CG2-CD2 3.82Å; I58-Y168 HydrophobicContact CD1-CD2 4.49Å; I58-Y168 HydrophobicContact CD1-CE2 3.85Å; I58-F191 HydrophobicContact CD1-CB 3.95Å; I58-F191 HydrophobicContact CG1-CB 4.02Å; I58-F191 HydrophobicContact CG1-CD1 4.42Å; I58-F191 HydrophobicContact CG1-CG 4.48Å; I58-L192 HydrophobicContact CD1-CD2 4.27Å
59K95.4Very high94.6Very high73 Ų7344.2 Ų44.232%0.31723%0.23SC..Hα-helixtrans-62.7-41.1178.1-71.1175.3-174.61740111.8Q54 L55 N56 K61 T62 V63Q54-K59 VanDerWaalsContact O-CD 3.31Å; Q54-K59 WeakPolarHBondContact O-CD 3.43Å; Q54-K59 PolarHBondContact O-NZ 3.27Å; L55-K59 HydrophobicContact CD1-CB 4.01Å; N56-K59 PolarHBondContact O-N 3.11Å; N56-K59 VanDerWaalsContact O-N 3.1Å; N56-K59 WeakPolarHBondContact OD1-CG 3.46Å; N56-K59 PolarHBondContact OD1-N 3.28Å; K59-K61 PolarHBondContact O-N 3.29Å; K59-T62 WeakPolarHBondContact O-CB 3.35Å; K59-T62 PolarHBondContact O-N 3.29Å; K59-V63 WeakPolarHBondContact O-CG2 3.45Å; K59-V63 PolarHBondContact O-N 3.01Å
60T96.6Very high94.7Very high5 Ų543.9 Ų43.93%0.03123%0.227CC..Hα-helixtrans-58.5-47.5175.5-64.10000111.3L50 N56 L57 I58 T62 V63 V64 I124 P196L50-T60 HydrophobicContact CD2-CG2 4.05Å; N56-T60 PolarHBondContact O-N 3.44Å; N56-T60 PolarHBondContact O-OG1 2.68Å; L57-T60 PolarHBondContact O-N 2.87Å; I58-T60 VanDerWaalsContact C-N 3.34Å; I58-T60 PolarHBondContact O-N 2.66Å; T60-T62 VanDerWaalsContact C-N 3.31Å; T60-T62 PolarHBondContact O-N 2.91Å; T60-V63 PolarHBondContact O-N 3.16Å; T60-V64 HydrophobicContact CG2-CG2 4.18Å; T60-V64 WeakPolarHBondContact O-CB 3.46Å; T60-V64 WeakPolarHBondContact O-CG2 3.44Å; T60-V64 PolarHBondContact O-N 2.67Å; T60-I124 HydrophobicContact CG2-CD1 4.34Å; T60-I124 HydrophobicContact CG2-CG1 4.44Å; T60-I124 HydrophobicContact CG2-CG2 4.13Å; T60-P196 HydrophobicContact CG2-CB 4.2Å; T60-P196 VanDerWaalsContact OG1-CB 3.31Å; T60-P196 WeakPolarHBondContact OG1-CB 3.48Å; T60-P196 WeakPolarHBondContact OG1-CG 3.45Å
61K97.2Very high94.9Very high48 Ų4843.1 Ų43.121%0.20922%0.223CC..Hα-helixtrans-56.3-46.5175.8-178.9174.7176.81580111.5L57 I58 K59 K65 I124 L125 M127 I129L57-K61 WeakPolarHBondContact O-CB 3.4Å; L57-K61 PolarHBondContact O-N 3.35Å; I58-K61 PolarHBondContact O-N 2.91Å; K59-K61 PolarHBondContact O-N 3.29Å; K61-K65 WeakPolarHBondContact O-CB 3.35Å; K61-K65 PolarHBondContact O-N 2.96Å; K61-I124 VanDerWaalsContact CA-CG2 3.45Å; K61-I124 HydrophobicContact CB-CG2 3.81Å; K61-I124 VanDerWaalsContact CD-O 3.29Å; K61-I124 WeakPolarHBondContact CD-O 3.29Å; K61-I124 HydrophobicContact CG-CG2 4.33Å; K61-I124 WeakPolarHBondContact CG-O 3.42Å; K61-L125 VanDerWaalsContact CE-O 3.32Å; K61-L125 WeakPolarHBondContact CE-O 3.37Å; K61-L125 PolarHBondContact NZ-O 2.89Å; K61-M127 HydrophobicContact CB-CE 3.97Å; K61-M127 HydrophobicContact CD-CE 4.05Å; K61-M127 PolarHBondContact NZ-O 3.29Å; K61-I129 HydrophobicContact CD-CD1 3.85Å
62T96.4Very high95.2Very high91 Ų9140.7 Ų40.756%0.55822%0.216SC*.Hα-helixtrans-59.5-49.3177.9-58.60000112.3I58 K59 T60 A66I58-T62 PolarHBondContact O-N 3.49Å; I58-T62 VanDerWaalsContact O-N 3.1Å; I58-T62 PolarHBondContact O-OG1 3.43Å; K59-T62 WeakPolarHBondContact O-CB 3.35Å; K59-T62 PolarHBondContact O-N 3.29Å; T60-T62 VanDerWaalsContact C-N 3.31Å; T60-T62 PolarHBondContact O-N 2.91Å; T62-A66 VanDerWaalsContact O-CB 3.22Å; T62-A66 WeakPolarHBondContact O-CB 3.4Å; T62-A66 PolarHBondContact O-N 2.94Å
63V97.4Very high95.7Very high21 Ų2143.5 Ų43.513%0.12723%0.225CC..Hα-helixtrans-63.7-48-178.2171.90000111.2M46 Q49 L50 K59 T60 F67M46-V63 HydrophobicContact CG-CG1 3.81Å; Q49-V63 HydrophobicContact CB-CG1 3.8Å; Q49-V63 HydrophobicContact CB-CG2 3.91Å; L50-V63 HydrophobicContact CD2-CB 3.87Å; L50-V63 HydrophobicContact CD2-CG1 3.67Å; L50-V63 HydrophobicContact CG-CG1 3.89Å; K59-V63 WeakPolarHBondContact O-CG2 3.45Å; K59-V63 PolarHBondContact O-N 3.01Å; T60-V63 PolarHBondContact O-N 3.16Å; V63-F67 PolarHBondContact O-N 2.92Å
64V97.6Very high96.4Very high1 Ų141.3 Ų41.31%0.00621%0.213CC..Hα-helixtrans-64.4-49.6-179.6170.80000110.8L50 T60 A66 F67 I68 Y121 L125L50-V64 HydrophobicContact CD1-CG2 4.39Å; L50-V64 HydrophobicContact CD2-CG2 4.32Å; T60-V64 HydrophobicContact CG2-CG2 4.18Å; T60-V64 WeakPolarHBondContact O-CB 3.46Å; T60-V64 WeakPolarHBondContact O-CG2 3.44Å; T60-V64 PolarHBondContact O-N 2.67Å; V64-A66 VanDerWaalsContact C-N 3.35Å; V64-A66 PolarHBondContact O-N 2.99Å; V64-F67 PolarHBondContact O-N 3.28Å; V64-F67 VanDerWaalsContact O-N 3.14Å; V64-I68 HydrophobicContact CG1-CD1 3.75Å; V64-I68 HydrophobicContact CG1-CG1 4.43Å; V64-I68 WeakPolarHBondContact O-CG1 3.43Å; V64-I68 PolarHBondContact O-N 2.98Å; V64-Y121 HydrophobicContact CG1-CD1 4.07Å; V64-Y121 HydrophobicContact CG1-CD2 3.69Å; V64-Y121 HydrophobicContact CG1-CE2 4.34Å; V64-Y121 HydrophobicContact CG1-CG 3.52Å; V64-Y121 HydrophobicContact CG2-CD1 4.06Å; V64-Y121 HydrophobicContact CG2-CE1 4.09Å; V64-Y121 HydrophobicContact CG2-CG 4.34Å; V64-L125 HydrophobicContact CG1-CD2 4.3Å
65K97.9Very high97Very high89 Ų8941.3 Ų41.339%0.38721%0.208SC..Hα-helixtrans-57.7-47.8178.7-179.364.3168.275.10111.2K61 F67 I68 D69 L125K61-K65 WeakPolarHBondContact O-CB 3.35Å; K61-K65 PolarHBondContact O-N 2.96Å; K65-F67 VanDerWaalsContact C-N 3.28Å; K65-F67 PolarHBondContact O-N 3.38Å; K65-I68 PolarHBondContact O-N 3.24Å; K65-D69 IonicContact NZ-OD1 3.83Å; K65-D69 PolarHBondContact NZ-OD1 3.33Å; K65-D69 IonicContact NZ-OD2 2.78Å; K65-D69 PolarHBondContact NZ-OD2 3Å; K65-D69 WeakPolarHBondContact O-CB 3.45Å; K65-D69 VanDerWaalsContact O-CG 3.23Å; K65-D69 PolarHBondContact O-N 3.1Å; K65-L125 HydrophobicContact CB-CD2 4.04Å; K65-L125 HydrophobicContact CD-CD2 3.94Å
66A98.2Very high97.2Very high40 Ų4045.5 Ų45.533%0.33123%0.227SC..Hα-helixtrans-62.6-34.8178.800000112.6T62 V64 K70T62-A66 VanDerWaalsContact O-CB 3.22Å; T62-A66 WeakPolarHBondContact O-CB 3.4Å; T62-A66 PolarHBondContact O-N 2.94Å; V64-A66 VanDerWaalsContact C-N 3.35Å; V64-A66 PolarHBondContact O-N 2.99Å; A66-K70 WeakPolarHBondContact O-CB 3.38Å; A66-K70 WeakPolarHBondContact O-CD 3.36Å; A66-K70 WeakPolarHBondContact O-CG 3.23Å; A66-K70 PolarHBondContact O-N 3.46Å; A66-K70 VanDerWaalsContact O-N 3.16Å
67F98.3Very high97.3Very high12 Ų1247.3 Ų47.35%0.05324%0.236CC..Hα-helixtrans-70.2-45.5175.7-174.2-95.7000112.1K42 F43 M46 V63 V64 K65 D69 K70 L71K42-F67 HydrophobicContact CB-CE2 3.92Å; K42-F67 HydrophobicContact CB-CZ 4.46Å; F43-F67 AromaticContact CD1-CE1 3.96Å; F43-F67 HydrophobicContact CD1-CE1 3.96Å; F43-F67 AromaticContact CD1-CZ 3.7Å; F43-F67 HydrophobicContact CD1-CZ 3.7Å; F43-F67 HydrophobicContact CD2-CZ 4.42Å; F43-F67 HydrophobicContact CE1-CD1 4.49Å; F43-F67 AromaticContact CE1-CE1 3.41Å; F43-F67 HydrophobicContact CE1-CE1 3.41Å; F43-F67 VanDerWaalsContact CE1-CE1 3.41Å; F43-F67 AromaticContact CE1-CZ 3.57Å; F43-F67 HydrophobicContact CE1-CZ 3.57Å; F43-F67 HydrophobicContact CE2-CZ 4.33Å; F43-F67 HydrophobicContact CG-CZ 4.1Å; F43-F67 AromaticContact CZ-CE1 3.81Å; F43-F67 HydrophobicContact CZ-CE1 3.81Å; F43-F67 AromaticContact CZ-CZ 3.9Å; F43-F67 HydrophobicContact CZ-CZ 3.9Å; M46-F67 HydrophobicContact CB-CD2 3.72Å; M46-F67 HydrophobicContact CB-CE2 4.09Å; M46-F67 HydrophobicContact CB-CG 4.19Å; M46-F67 HydrophobicContact CG-CB 4.01Å; M46-F67 HydrophobicContact CG-CD2 4.07Å; M46-F67 HydrophobicContact CG-CG 4.02Å; M46-F67 HydrophobicContact SD-CB 3.55Å; M46-F67 VanDerWaalsContact SD-CB 3.55Å; M46-F67 HydrophobicContact SD-CD1 3.49Å; M46-F67 WeakPolarHBondContact SD-CD1 3.39Å; M46-F67 HydrophobicContact SD-CD2 3.86Å; M46-F67 HydrophobicContact SD-CE1 4.11Å; M46-F67 HydrophobicContact SD-CE2 4.42Å; M46-F67 HydrophobicContact SD-CG 3.34Å; M46-F67 WeakPolarHBondContact SD-CG 3.45Å; V63-F67 PolarHBondContact O-N 2.92Å; V64-F67 PolarHBondContact O-N 3.28Å; V64-F67 VanDerWaalsContact O-N 3.14Å; K65-F67 VanDerWaalsContact C-N 3.28Å; K65-F67 PolarHBondContact O-N 3.38Å; F67-D69 PolarHBondContact O-N 3.19Å; F67-K70 WeakPolarHBondContact O-CB 3.44Å; F67-K70 PolarHBondContact O-N 3.48Å; F67-K70 VanDerWaalsContact O-N 3.16Å; F67-L71 HydrophobicContact CD1-CD1 4.41Å; F67-L71 HydrophobicContact CD1-CG 4.43Å; F67-L71 HydrophobicContact CE1-CD1 4.16Å; F67-L71 HydrophobicContact CE1-CD2 4.04Å; F67-L71 HydrophobicContact CE1-CG 4.19Å; F67-L71 HydrophobicContact CZ-CD2 4.27Å; F67-L71 PolarHBondContact O-N 2.93Å; F67-L71 VanDerWaalsContact O-N 3.14Å
68I98.1Very high97.4Very high4 Ų446 Ų462%0.02123%0.229CC..Hα-helixtrans-59.4-46.9176.6-69.9174.2000110.5V64 K65 K70 L71 S72 H114 M117 C118 L125V64-I68 HydrophobicContact CG1-CD1 3.75Å; V64-I68 HydrophobicContact CG1-CG1 4.43Å; V64-I68 WeakPolarHBondContact O-CG1 3.43Å; V64-I68 PolarHBondContact O-N 2.98Å; K65-I68 PolarHBondContact O-N 3.24Å; I68-K70 VanDerWaalsContact C-N 3.25Å; I68-K70 PolarHBondContact O-N 3.1Å; I68-L71 WeakPolarHBondContact O-CB 3.42Å; I68-L71 PolarHBondContact O-N 3.35Å; I68-S72 PolarHBondContact O-N 3.5Å; I68-H114 PolarHBondContact O-CD2 3.01Å; I68-M117 HydrophobicContact CD1-CB 3.89Å; I68-M117 HydrophobicContact CG1-CB 3.75Å; I68-C118 VanDerWaalsContact CG2-SG 3.55Å; I68-L125 HydrophobicContact CD1-CD1 3.74Å; I68-L125 HydrophobicContact CD1-CD2 4.36Å; I68-L125 HydrophobicContact CD1-CG 4.49Å
69D98Very high97.3Very high66 Ų6648.1 Ų48.135%0.35325%0.254SS..Hα-helixtrans-60.7-36.5177.2-67.7-17.5000112.1K65 F67 L71 S72 I73K65-D69 IonicContact NZ-OD1 3.83Å; K65-D69 PolarHBondContact NZ-OD1 3.33Å; K65-D69 IonicContact NZ-OD2 2.78Å; K65-D69 PolarHBondContact NZ-OD2 3Å; K65-D69 WeakPolarHBondContact O-CB 3.45Å; K65-D69 VanDerWaalsContact O-CG 3.23Å; K65-D69 PolarHBondContact O-N 3.1Å; F67-D69 PolarHBondContact O-N 3.19Å; D69-L71 VanDerWaalsContact C-N 3.32Å; D69-L71 PolarHBondContact O-N 3.24Å; D69-S72 WeakPolarHBondContact O-CB 3.19Å; D69-S72 PolarHBondContact O-N 2.79Å; D69-I73 PolarHBondContact O-N 3.43Å
70K98.2Very high97.3Very high98 Ų9854 Ų5443%0.42627%0.274SS..Hα-helixtrans-63.4-35174.6-77.5166.9-171.71710112.4A66 F67 I68 S72 I73 F74A66-K70 WeakPolarHBondContact O-CB 3.38Å; A66-K70 WeakPolarHBondContact O-CD 3.36Å; A66-K70 WeakPolarHBondContact O-CG 3.23Å; A66-K70 PolarHBondContact O-N 3.46Å; A66-K70 VanDerWaalsContact O-N 3.16Å; F67-K70 WeakPolarHBondContact O-CB 3.44Å; F67-K70 PolarHBondContact O-N 3.48Å; F67-K70 VanDerWaalsContact O-N 3.16Å; I68-K70 VanDerWaalsContact C-N 3.25Å; I68-K70 PolarHBondContact O-N 3.1Å; K70-S72 VanDerWaalsContact C-N 3.28Å; K70-S72 PolarHBondContact O-N 3.17Å; K70-I73 PolarHBondContact O-N 2.96Å; K70-I73 VanDerWaalsContact O-N 3.17Å; K70-F74 HydrophobicContact CB-CD2 4.47Å; K70-F74 HydrophobicContact CB-CE1 4.27Å; K70-F74 HydrophobicContact CB-CE2 3.75Å; K70-F74 HydrophobicContact CB-CZ 3.65Å; K70-F74 HydrophobicContact CD-CZ 4.43Å; K70-F74 HydrophobicContact CG-CZ 4.28Å; K70-F74 WeakPolarHBondContact O-CB 3.18Å; K70-F74 WeakPolarHBondContact O-CD1 3.41Å; K70-F74 WeakPolarHBondContact O-CD2 3.32Å; K70-F74 WeakPolarHBondContact O-CG 3.25Å; K70-F74 PolarHBondContact O-N 3.11Å
71L98.4Very high97.2Very high1 Ų155.6 Ų55.61%0.00529%0.291CS..Hα-helixtrans-59.2-41.7176.2-63.1175.4000111.3L39 F67 I68 D69 I73 F74 R75 L110 L113 H114 M117L39-L71 HydrophobicContact CD1-CD2 4.41Å; F67-L71 HydrophobicContact CD1-CD1 4.41Å; F67-L71 HydrophobicContact CD1-CG 4.43Å; F67-L71 HydrophobicContact CE1-CD1 4.16Å; F67-L71 HydrophobicContact CE1-CD2 4.04Å; F67-L71 HydrophobicContact CE1-CG 4.19Å; F67-L71 HydrophobicContact CZ-CD2 4.27Å; F67-L71 PolarHBondContact O-N 2.93Å; F67-L71 VanDerWaalsContact O-N 3.14Å; I68-L71 WeakPolarHBondContact O-CB 3.42Å; I68-L71 PolarHBondContact O-N 3.35Å; D69-L71 VanDerWaalsContact C-N 3.32Å; D69-L71 PolarHBondContact O-N 3.24Å; L71-I73 PolarHBondContact O-N 3.5Å; L71-F74 HydrophobicContact CD2-CD2 4.21Å; L71-F74 PolarHBondContact O-N 3.21Å; L71-R75 PolarHBondContact O-N 3.28Å; L71-L110 HydrophobicContact CD2-CD2 4.11Å; L71-L113 HydrophobicContact CD1-CD2 4.28Å; L71-L113 HydrophobicContact CD1-CG 3.99Å; L71-L113 HydrophobicContact CD2-CD2 3.96Å; L71-H114 HydrophobicContact CB-CB 4.22Å; L71-H114 HydrophobicContact CD1-CB 4.28Å; L71-M117 HydrophobicContact CD1-CG 4.31Å
72S97Very high97.1Very high42 Ų4256.9 Ų56.929%0.29430%0.298SS..Hα-helixtrans-61-43.6174.9-74.30000112.1I68 D69 K70 R75 Q76 H114I68-S72 PolarHBondContact O-N 3.5Å; D69-S72 WeakPolarHBondContact O-CB 3.19Å; D69-S72 PolarHBondContact O-N 2.79Å; K70-S72 VanDerWaalsContact C-N 3.28Å; K70-S72 PolarHBondContact O-N 3.17Å; S72-R75 PolarHBondContact O-N 3.3Å; S72-Q76 WeakPolarHBondContact O-CG 3.29Å; S72-Q76 PolarHBondContact O-N 3.13Å; S72-Q76 VanDerWaalsContact O-N 3.13Å; S72-H114 PolarHBondContact OG-CD2 3.4Å; S72-H114 PolarHBondContact OG-NE2 2.99Å
73I97.6Very high97.1Very high79 Ų7953 Ų5341%0.40527%0.274SS..Hα-helixtrans-65.8-42.8176.3-63.4172.5000111.2D69 K70 L71 R75 Q76 N77D69-I73 PolarHBondContact O-N 3.43Å; K70-I73 PolarHBondContact O-N 2.96Å; K70-I73 VanDerWaalsContact O-N 3.17Å; L71-I73 PolarHBondContact O-N 3.5Å; I73-R75 VanDerWaalsContact C-N 3.32Å; I73-R75 PolarHBondContact O-N 3.17Å; I73-Q76 PolarHBondContact O-N 3.27Å; I73-N77 WeakPolarHBondContact O-CB 3.44Å; I73-N77 PolarHBondContact O-N 3.41Å
74F98.1Very high97Very high15 Ų1561.3 Ų61.37%0.06630%0.303CS..Hα-helixtrans-59.4-44.1178.4-63.9-25000111.8K42 K70 L71 N77 L78 Q85 F86 L110K42-F74 HydrophobicContact CD-CD2 4.04Å; K42-F74 HydrophobicContact CD-CE2 3.39Å; K42-F74 HydrophobicContact CD-CZ 3.69Å; K70-F74 HydrophobicContact CB-CD2 4.47Å; K70-F74 HydrophobicContact CB-CE1 4.27Å; K70-F74 HydrophobicContact CB-CE2 3.75Å; K70-F74 HydrophobicContact CB-CZ 3.65Å; K70-F74 HydrophobicContact CD-CZ 4.43Å; K70-F74 HydrophobicContact CG-CZ 4.28Å; K70-F74 WeakPolarHBondContact O-CB 3.18Å; K70-F74 WeakPolarHBondContact O-CD1 3.41Å; K70-F74 WeakPolarHBondContact O-CD2 3.32Å; K70-F74 WeakPolarHBondContact O-CG 3.25Å; K70-F74 PolarHBondContact O-N 3.11Å; L71-F74 HydrophobicContact CD2-CD2 4.21Å; L71-F74 PolarHBondContact O-N 3.21Å; F74-N77 PolarHBondContact O-N 3.49Å; F74-L78 WeakPolarHBondContact O-CB 3.49Å; F74-L78 WeakPolarHBondContact O-CG 3.12Å; F74-L78 PolarHBondContact O-N 3Å; F74-Q85 HydrophobicContact CD1-CB 4.05Å; F74-Q85 HydrophobicContact CD1-CG 4.17Å; F74-Q85 HydrophobicContact CE1-CB 4.15Å; F74-Q85 HydrophobicContact CE1-CG 4.15Å; F74-F86 HydrophobicContact CB-CE2 3.79Å; F74-F86 HydrophobicContact CB-CZ 3.84Å; F74-F86 HydrophobicContact CD1-CE2 4.34Å; F74-F86 HydrophobicContact CD2-CZ 4.3Å; F74-F86 HydrophobicContact CG-CE2 4.05Å; F74-F86 HydrophobicContact CG-CZ 4.03Å; F74-L110 HydrophobicContact CB-CD1 3.87Å
75R97.7Very high96.9Very high124 Ų12463.6 Ų63.647%0.46831%0.313SS..Hα-helixtrans-59.6-50.1175.3178.6-158.9172.3-147.5-1.9111.3L71 S72 I73 N77 L78 G79 C107 L110 S111L71-R75 PolarHBondContact O-N 3.28Å; S72-R75 PolarHBondContact O-N 3.3Å; I73-R75 VanDerWaalsContact C-N 3.32Å; I73-R75 PolarHBondContact O-N 3.17Å; R75-N77 VanDerWaalsContact C-N 3.33Å; R75-N77 PolarHBondContact O-N 3.49Å; R75-L78 PolarHBondContact O-N 3.04Å; R75-G79 PolarHBondContact O-N 3.21Å; R75-C107 HydrophobicContact CG-CB 4.19Å; R75-L110 HydrophobicContact CB-CB 4.05Å; R75-L110 HydrophobicContact CB-CD1 4.22Å; R75-S111 WeakPolarHBondContact CD-OG 3.49Å; R75-S111 PolarHBondContact NE-OG 3.17Å
76Q97.6Very high96.8Very high107 Ų10759.4 Ų59.450%0.530%0.295SS..Hα-helixtrans-60.8-42.9-178.8-71.9174.513.700112S72 I73 G79 R80S72-Q76 WeakPolarHBondContact O-CG 3.29Å; S72-Q76 PolarHBondContact O-N 3.13Å; S72-Q76 VanDerWaalsContact O-N 3.13Å; I73-Q76 PolarHBondContact O-N 3.27Å; Q76-G79 PolarHBondContact O-N 3.49Å; Q76-R80 WeakPolarHBondContact O-CG 3.49Å; Q76-R80 PolarHBondContact O-N 3.18Å
77N97.3Very high96.7Very high39 Ų3960.7 Ų60.721%0.20930%0.3CS..Hα-helixtrans-70.2-44.1-179.1-71.7-9.3000112I73 F74 R75 G79 R80 G81 E82 Q85I73-N77 WeakPolarHBondContact O-CB 3.44Å; I73-N77 PolarHBondContact O-N 3.41Å; F74-N77 PolarHBondContact O-N 3.49Å; R75-N77 VanDerWaalsContact C-N 3.33Å; R75-N77 PolarHBondContact O-N 3.49Å; N77-G79 VanDerWaalsContact C-N 3.3Å; N77-G79 PolarHBondContact O-N 3.39Å; N77-R80 CarbonylContact O-C 3.57Å; N77-R80 PolarHBondContact O-N 3.48Å; N77-G81 PolarHBondContact O-N 3.28Å; N77-E82 CarbonylContact C-O 3.58Å; N77-E82 HydrophobicContact CB-CB 4.31Å; N77-E82 PolarHBondContact O-N 3.3Å; N77-Q85 VanDerWaalsContact CB-OE1 3.24Å; N77-Q85 VanDerWaalsContact ND2-CD 3.29Å; N77-Q85 PolarHBondContact ND2-NE2 3.49Å; N77-Q85 VanDerWaalsContact ND2-NE2 3.14Å; N77-Q85 PolarHBondContact ND2-OE1 3.21Å
78L96Very high96.6Very high1 Ų162 Ų621%0.00531%0.307CS..Hα-helixtrans-59-42.5174.2-77.4178.8000111.8F35 F74 R75 R80 G81 Y83 F86 L89 F106 L110F35-L78 HydrophobicContact CE2-CD1 4.2Å; F74-L78 WeakPolarHBondContact O-CB 3.49Å; F74-L78 WeakPolarHBondContact O-CG 3.12Å; F74-L78 PolarHBondContact O-N 3Å; R75-L78 PolarHBondContact O-N 3.04Å; L78-R80 PolarHBondContact O-N 3.02Å; L78-G81 PolarHBondContact O-N 2.94Å; L78-Y83 HydrophobicContact CD2-CD1 3.45Å; L78-Y83 VanDerWaalsContact CD2-CD1 3.45Å; L78-Y83 HydrophobicContact CD2-CE1 3.77Å; L78-Y83 HydrophobicContact CD2-CG 4.38Å; L78-F86 HydrophobicContact CD1-CD2 4.09Å; L78-F86 HydrophobicContact CD1-CE2 3.67Å; L78-F86 HydrophobicContact CD1-CZ 3.95Å; L78-F86 HydrophobicContact CD2-CD2 3.79Å; L78-F86 HydrophobicContact CD2-CE2 4.15Å; L78-F86 HydrophobicContact CD2-CG 4.41Å; L78-F86 HydrophobicContact CG-CD2 3.98Å; L78-F86 HydrophobicContact CG-CE2 3.81Å; L78-L89 HydrophobicContact CD2-CD1 4.41Å; L78-F106 HydrophobicContact CD1-CB 4.39Å; L78-L110 HydrophobicContact CD1-CD1 3.61Å
79G95Very high96.5Very high55 Ų5561.8 Ų61.857%0.56731%0.306SS*.Hα-helixtrans-64.8-22176.900000114.3R75 Q76 N77 G81R75-G79 PolarHBondContact O-N 3.21Å; Q76-G79 PolarHBondContact O-N 3.49Å; N77-G79 VanDerWaalsContact C-N 3.3Å; N77-G79 PolarHBondContact O-N 3.39Å; G79-G81 VanDerWaalsContact C-N 3.34Å
80R95.1Very high96.4Very high196 Ų19660 Ų6074%0.7430%0.297SS*.THydrogen-bonded Turntrans-90.11.6173.3-69.9173.7179.9-178.90.5113.2Q76 N77 L78Q76-R80 WeakPolarHBondContact O-CG 3.49Å; Q76-R80 PolarHBondContact O-N 3.18Å; N77-R80 CarbonylContact O-C 3.57Å; N77-R80 PolarHBondContact O-N 3.48Å; L78-R80 PolarHBondContact O-N 3.02Å
81G93.9Very high96.2Very high38 Ų3859.2 Ų59.239%0.39230%0.297SS..THydrogen-bonded Turntrans76.322.4-175.900000114N77 L78 G79 Y83N77-G81 PolarHBondContact O-N 3.28Å; L78-G81 PolarHBondContact O-N 2.94Å; G79-G81 VanDerWaalsContact C-N 3.34Å; G81-Y83 WeakPolarHBondContact O-CD2 3.36Å; G81-Y83 WeakPolarHBondContact O-CE2 3.47Å
82E95.7Very high95.9Very high76 Ų7660.3 Ų60.336%0.35530%0.303SS..  trans-103.5108.7178.8-165.558.7-130.900111N77 R84N77-E82 CarbonylContact C-O 3.58Å; N77-E82 HydrophobicContact CB-CB 4.31Å; N77-E82 PolarHBondContact O-N 3.3Å; E82-R84 VanDerWaalsContact OE1-CD 3.3Å; E82-R84 WeakPolarHBondContact OE1-CD 3.16Å; E82-R84 VanDerWaalsContact OE1-CG 3.25Å; E82-R84 WeakPolarHBondContact OE1-CG 3.45Å; E82-R84 IonicContact OE1-CZ 3.9Å; E82-R84 IonicContact OE1-NE 2.63Å; E82-R84 PolarHBondContact OE1-NE 3.14Å; E82-R84 IonicContact OE1-NH2 2.81Å
83Y95.4Very high95.7Very high10 Ų1062 Ų624%0.03931%0.305CS..  trans-105.90.2-167.6-57.9-90.3000114.4L78 G81 Q85 F86 L89 K93 L98 I103L78-Y83 HydrophobicContact CD2-CD1 3.45Å; L78-Y83 VanDerWaalsContact CD2-CD1 3.45Å; L78-Y83 HydrophobicContact CD2-CE1 3.77Å; L78-Y83 HydrophobicContact CD2-CG 4.38Å; G81-Y83 WeakPolarHBondContact O-CD2 3.36Å; G81-Y83 WeakPolarHBondContact O-CE2 3.47Å; Y83-Q85 PolarHBondContact O-N 3.41Å; Y83-F86 CarbonylContact O-C 3.5Å; Y83-F86 WeakPolarHBondContact O-CA 3.47Å; Y83-F86 PolarHBondContact O-N 3.49Å; Y83-L89 HydrophobicContact CD1-CB 4.36Å; Y83-K93 HydrophobicContact CD2-CB 4.27Å; Y83-K93 HydrophobicContact CD2-CG 3.94Å; Y83-K93 HydrophobicContact CE2-CB 4.33Å; Y83-K93 HydrophobicContact CE2-CD 3.94Å; Y83-K93 HydrophobicContact CE2-CG 3.67Å; Y83-L98 HydrophobicContact CD1-CD1 4.48Å; Y83-L98 HydrophobicContact CE1-CD1 3.9Å; Y83-I103 WeakPolarHBondContact OH-CD1 3.33Å
84R95Very high95.4Very high195 Ų19564.7 Ų64.774%0.73631%0.314SS*.THydrogen-bonded Turntrans-51.6-27-176.4-69.5175.2-156.1-161-0.1115E82 F86E82-R84 VanDerWaalsContact OE1-CD 3.3Å; E82-R84 WeakPolarHBondContact OE1-CD 3.16Å; E82-R84 VanDerWaalsContact OE1-CG 3.25Å; E82-R84 WeakPolarHBondContact OE1-CG 3.45Å; E82-R84 IonicContact OE1-CZ 3.9Å; E82-R84 IonicContact OE1-NE 2.63Å; E82-R84 PolarHBondContact OE1-NE 3.14Å; E82-R84 IonicContact OE1-NH2 2.81Å; R84-F86 VanDerWaalsContact C-N 3.29Å
85Q96.1Very high94.9Very high49 Ų4970.7 Ų70.723%0.22935%0.347CS..THydrogen-bonded Turntrans-77.6-15.7178.3-66.4156.4-5000112.6K42 F74 N77 Y83 P87K42-Q85 WeakPolarHBondContact CE-O 3.22Å; K42-Q85 PolarHBondContact NZ-O 3.34Å; F74-Q85 HydrophobicContact CD1-CB 4.05Å; F74-Q85 HydrophobicContact CD1-CG 4.17Å; F74-Q85 HydrophobicContact CE1-CB 4.15Å; F74-Q85 HydrophobicContact CE1-CG 4.15Å; N77-Q85 VanDerWaalsContact CB-OE1 3.24Å; N77-Q85 VanDerWaalsContact ND2-CD 3.29Å; N77-Q85 PolarHBondContact ND2-NE2 3.49Å; N77-Q85 VanDerWaalsContact ND2-NE2 3.14Å; N77-Q85 PolarHBondContact ND2-OE1 3.21Å; Y83-Q85 PolarHBondContact O-N 3.41Å; Q85-P87 WeakPolarHBondContact O-CD 3.49Å
86F97.2Very high94.2Very high0 Ų068.2 Ų68.20%036%0.36CS..  trans-123.478.7-178.8-65.1-93.8000109F35 D38 F74 L78 Y83 R84 N88 L89 D90 L110F35-F86 HydrophobicContact CD2-CD1 4.13Å; F35-F86 AromaticContact CD2-CE1 3.96Å; F35-F86 HydrophobicContact CD2-CE1 3.96Å; F35-F86 HydrophobicContact CE2-CD1 4.35Å; F35-F86 AromaticContact CE2-CE1 3.71Å; F35-F86 HydrophobicContact CE2-CE1 3.71Å; F35-F86 HydrophobicContact CE2-CZ 4.19Å; D38-F86 HydrophobicContact CB-CB 4.28Å; D38-F86 HydrophobicContact CB-CD1 3.61Å; D38-F86 HydrophobicContact CB-CE1 4.44Å; D38-F86 HydrophobicContact CB-CG 4.37Å; D38-F86 WeakPolarHBondContact OD2-CA 3.38Å; D38-F86 VanDerWaalsContact OD2-CB 3.31Å; D38-F86 WeakPolarHBondContact OD2-CB 3.47Å; F74-F86 HydrophobicContact CB-CE2 3.79Å; F74-F86 HydrophobicContact CB-CZ 3.84Å; F74-F86 HydrophobicContact CD1-CE2 4.34Å; F74-F86 HydrophobicContact CD2-CZ 4.3Å; F74-F86 HydrophobicContact CG-CE2 4.05Å; F74-F86 HydrophobicContact CG-CZ 4.03Å; L78-F86 HydrophobicContact CD1-CD2 4.09Å; L78-F86 HydrophobicContact CD1-CE2 3.67Å; L78-F86 HydrophobicContact CD1-CZ 3.95Å; L78-F86 HydrophobicContact CD2-CD2 3.79Å; L78-F86 HydrophobicContact CD2-CE2 4.15Å; L78-F86 HydrophobicContact CD2-CG 4.41Å; L78-F86 HydrophobicContact CG-CD2 3.98Å; L78-F86 HydrophobicContact CG-CE2 3.81Å; Y83-F86 CarbonylContact O-C 3.5Å; Y83-F86 WeakPolarHBondContact O-CA 3.47Å; Y83-F86 PolarHBondContact O-N 3.49Å; R84-F86 VanDerWaalsContact C-N 3.29Å; F86-N88 VanDerWaalsContact C-N 3.28Å; F86-N88 PolarHBondContact O-N 2.94Å; F86-L89 HydrophobicContact CB-CB 3.86Å; F86-L89 HydrophobicContact CB-CD1 4Å; F86-L89 HydrophobicContact CB-CG 4.25Å; F86-L89 HydrophobicContact CD1-CD1 4.3Å; F86-L89 HydrophobicContact CG-CD1 4.24Å; F86-L89 PolarHBondContact O-N 3.14Å; F86-L89 VanDerWaalsContact O-N 3.08Å; F86-D90 WeakPolarHBondContact O-CB 3.18Å; F86-D90 PolarHBondContact O-N 3.48Å; F86-L110 HydrophobicContact CZ-CD1 4.2Å
87P96.2Very high93.7Very high67 Ų6764.7 Ų64.744%0.43535%0.353SS..Hα-helixtrans-55-40.1-173-26.534.8000113.9Q85 L89 D90 D91Q85-P87 WeakPolarHBondContact O-CD 3.49Å; P87-L89 PolarHBondContact O-N 3.16Å; P87-D90 PolarHBondContact O-N 2.98Å; P87-D91 PolarHBondContact O-N 3.09Å
88N95.4Very high93.4Very high39 Ų3963.6 Ų63.621%0.20935%0.347CS..Hα-helixtrans-68-38-179.8-67.3-51.8000111.5Y5 A34 D38 F86 L92Y5-N88 HydrophobicContact CD1-CB 3.87Å; Y5-N88 VanDerWaalsContact CD1-CG 3.44Å; Y5-N88 VanDerWaalsContact CD1-OD1 3.23Å; Y5-N88 WeakPolarHBondContact CD1-OD1 3.31Å; Y5-N88 HydrophobicContact CE1-CB 3.42Å; Y5-N88 VanDerWaalsContact CE1-CB 3.42Å; Y5-N88 VanDerWaalsContact CE1-CG 3.41Å; Y5-N88 WeakPolarHBondContact CE1-OD1 3.25Å; Y5-N88 PolarHBondContact OH-O 2.82Å; A34-N88 HydrophobicContact CB-CB 3.98Å; D38-N88 PolarHBondContact OD1-N 3.43Å; D38-N88 PolarHBondContact OD1-ND2 3.22Å; D38-N88 WeakPolarHBondContact OD2-CB 3.47Å; D38-N88 PolarHBondContact OD2-N 3.08Å; F86-N88 VanDerWaalsContact C-N 3.28Å; F86-N88 PolarHBondContact O-N 2.94Å; N88-L92 WeakPolarHBondContact O-CG 3.29Å; N88-L92 PolarHBondContact O-N 2.93Å
89L95.2Very high93.2Very high0 Ų067.1 Ų67.10%037%0.369CS..Hα-helixtrans-71.5-37.5173.2-76.9-177.2000113.1A31 A34 F35 D38 L78 Y83 F86 P87 D91 L92 K93 L98 F106A31-L89 WeakPolarHBondContact O-CD2 3.16Å; A34-L89 HydrophobicContact CB-CD2 3.96Å; A34-L89 HydrophobicContact CB-CG 4.45Å; F35-L89 HydrophobicContact CB-CD1 3.82Å; F35-L89 HydrophobicContact CB-CD2 4.1Å; F35-L89 HydrophobicContact CB-CG 4.11Å; F35-L89 HydrophobicContact CD2-CD1 3.69Å; F35-L89 HydrophobicContact CG-CD1 4.24Å; D38-L89 PolarHBondContact OD2-N 3.17Å; L78-L89 HydrophobicContact CD2-CD1 4.41Å; Y83-L89 HydrophobicContact CD1-CB 4.36Å; F86-L89 HydrophobicContact CB-CB 3.86Å; F86-L89 HydrophobicContact CB-CD1 4Å; F86-L89 HydrophobicContact CB-CG 4.25Å; F86-L89 HydrophobicContact CD1-CD1 4.3Å; F86-L89 HydrophobicContact CG-CD1 4.24Å; F86-L89 PolarHBondContact O-N 3.14Å; F86-L89 VanDerWaalsContact O-N 3.08Å; P87-L89 PolarHBondContact O-N 3.16Å; L89-D91 VanDerWaalsContact C-N 3.27Å; L89-D91 PolarHBondContact O-N 3.05Å; L89-L92 HydrophobicContact CD2-CD1 4.39Å; L89-L92 PolarHBondContact O-N 2.81Å; L89-K93 WeakPolarHBondContact O-CB 3.39Å; L89-K93 PolarHBondContact O-N 3.14Å; L89-L98 HydrophobicContact CD2-CD1 4.2Å; L89-F106 HydrophobicContact CD1-CD2 3.95Å; L89-F106 HydrophobicContact CD1-CE2 3.96Å; L89-F106 HydrophobicContact CD2-CE2 3.75Å; L89-F106 HydrophobicContact CD2-CZ 4.36Å
90D96Very high93.1Very high30 Ų3070.1 Ų70.116%0.1637%0.372CS..Hα-helixtrans-60-42.5176.8-170.341.3000110.4F86 P87 K93 K94F86-D90 WeakPolarHBondContact O-CB 3.18Å; F86-D90 PolarHBondContact O-N 3.48Å; P87-D90 PolarHBondContact O-N 2.98Å; D90-K93 PolarHBondContact O-N 2.75Å; D90-K94 WeakPolarHBondContact O-CG 3.34Å; D90-K94 PolarHBondContact O-N 2.88Å; D90-K94 VanDerWaalsContact O-N 3.07Å; D90-K94 IonicContact OD1-NZ 3.4Å; D90-K94 VanDerWaalsContact OD2-CE 3.28Å; D90-K94 WeakPolarHBondContact OD2-CE 3.3Å; D90-K94 IonicContact OD2-NZ 3.38Å; D90-K94 PolarHBondContact OD2-NZ 3.06Å
91D94.1Very high93.1Very high80 Ų8065.8 Ų65.843%0.42836%0.364SS..Hα-helixtrans-65.5-40.9175.1-70.2-16.1000112.3P87 L89 K94 N95P87-D91 PolarHBondContact O-N 3.09Å; L89-D91 VanDerWaalsContact C-N 3.27Å; L89-D91 PolarHBondContact O-N 3.05Å; D91-K94 PolarHBondContact O-N 2.78Å; D91-N95 WeakPolarHBondContact O-CB 3.44Å; D91-N95 PolarHBondContact O-N 2.91Å; D91-N95 VanDerWaalsContact O-N 3.12Å; D91-N95 PolarHBondContact O-ND2 3.36Å
92L92.8Very high93.1Very high25 Ų2565 Ų6513%0.13135%0.351CS..Hα-helixtrans-63.3-42.8173.6-73.4178.7000112.2Y5 R30 A31 A34 N88 L89 K94 N95 G96 L98Y5-L92 WeakPolarHBondContact OH-CD1 3.38Å; Y5-L92 VanDerWaalsContact OH-CG 3.28Å; Y5-L92 WeakPolarHBondContact OH-CG 3.43Å; R30-L92 HydrophobicContact CG-CD1 4.26Å; R30-L92 HydrophobicContact CG-CD2 4.08Å; A31-L92 HydrophobicContact CB-CD1 4.48Å; A34-L92 HydrophobicContact CB-CD1 3.46Å; A34-L92 VanDerWaalsContact CB-CD1 3.46Å; A34-L92 HydrophobicContact CB-CG 4.46Å; N88-L92 WeakPolarHBondContact O-CG 3.29Å; N88-L92 PolarHBondContact O-N 2.93Å; L89-L92 HydrophobicContact CD2-CD1 4.39Å; L89-L92 PolarHBondContact O-N 2.81Å; L92-K94 VanDerWaalsContact C-N 3.28Å; L92-K94 PolarHBondContact O-N 2.8Å; L92-N95 PolarHBondContact O-N 3.41Å; L92-N95 VanDerWaalsContact O-N 3.15Å; L92-G96 PolarHBondContact O-N 2.67Å; L92-L98 HydrophobicContact CB-CD2 4.47Å
93K91.8Very high93.1Very high77 Ų7762.2 Ų62.234%0.33534%0.339SS..Hα-helixtrans-59.6-41.4178.9-178.164.8177.8176.80111.1Y83 L89 D90 G97 L98Y83-K93 HydrophobicContact CD2-CB 4.27Å; Y83-K93 HydrophobicContact CD2-CG 3.94Å; Y83-K93 HydrophobicContact CE2-CB 4.33Å; Y83-K93 HydrophobicContact CE2-CD 3.94Å; Y83-K93 HydrophobicContact CE2-CG 3.67Å; L89-K93 WeakPolarHBondContact O-CB 3.39Å; L89-K93 PolarHBondContact O-N 3.14Å; D90-K93 PolarHBondContact O-N 2.75Å; K93-G97 WeakPolarHBondContact O-CA 3.39Å; K93-G97 PolarHBondContact O-N 3.11Å; K93-G97 VanDerWaalsContact O-N 3.13Å; K93-L98 HydrophobicContact CB-CD1 4.26Å; K93-L98 HydrophobicContact CD-CB 4.2Å; K93-L98 HydrophobicContact CD-CD1 4.46Å; K93-L98 HydrophobicContact CD-CG 4.32Å
94K92.5Very high93.2Very high135 Ų13569.3 Ų69.359%0.58737%0.365SS*.Hα-helixtrans-67.7-33.4176.8-69.9168.4-167.1159.60113.2D90 D91 L92D90-K94 WeakPolarHBondContact O-CG 3.34Å; D90-K94 PolarHBondContact O-N 2.88Å; D90-K94 VanDerWaalsContact O-N 3.07Å; D90-K94 IonicContact OD1-NZ 3.4Å; D90-K94 VanDerWaalsContact OD2-CE 3.28Å; D90-K94 WeakPolarHBondContact OD2-CE 3.3Å; D90-K94 IonicContact OD2-NZ 3.38Å; D90-K94 PolarHBondContact OD2-NZ 3.06Å; D91-K94 PolarHBondContact O-N 2.78Å; L92-K94 VanDerWaalsContact C-N 3.28Å; L92-K94 PolarHBondContact O-N 2.8Å
95N88Confident93.3Very high141 Ų14162.5 Ų62.575%0.75435%0.348SS*.Hα-helixtrans-97.8-8.5-171.6-68.7-36.7000115.3D91 L92D91-N95 WeakPolarHBondContact O-CB 3.44Å; D91-N95 PolarHBondContact O-N 2.91Å; D91-N95 VanDerWaalsContact O-N 3.12Å; D91-N95 PolarHBondContact O-ND2 3.36Å; L92-N95 PolarHBondContact O-N 3.41Å; L92-N95 VanDerWaalsContact O-N 3.15Å
96G81.7Confident93.4Very high72 Ų7260.4 Ų60.474%0.74234%0.338SS*.Hα-helixtrans-165.63-179.300000116L92L92-G96 PolarHBondContact O-N 2.67Å
97G86.9Confident93.4Very high34 Ų3461.1 Ų61.135%0.35134%0.343SS..  trans70.5172.7-169.500000112.4K93K93-G97 WeakPolarHBondContact O-CA 3.39Å; K93-G97 PolarHBondContact O-N 3.11Å; K93-G97 VanDerWaalsContact O-N 3.13Å
98L91.4Very high93.5Very high16 Ų1662 Ų628%0.08434%0.344CS..  trans-135.7128.5171.6-73.6172000106.6A31 Y83 L89 L92 K93 I103A31-L98 HydrophobicContact CB-CD2 3.84Å; Y83-L98 HydrophobicContact CD1-CD1 4.48Å; Y83-L98 HydrophobicContact CE1-CD1 3.9Å; L89-L98 HydrophobicContact CD2-CD1 4.2Å; L92-L98 HydrophobicContact CB-CD2 4.47Å; K93-L98 HydrophobicContact CB-CD1 4.26Å; K93-L98 HydrophobicContact CD-CB 4.2Å; K93-L98 HydrophobicContact CD-CD1 4.46Å; K93-L98 HydrophobicContact CD-CG 4.32Å; L98-I103 HydrophobicContact CB-CD1 4.08Å; L98-I103 HydrophobicContact CB-CG1 4.04Å
99P92Very high93.7Very high74 Ų7462.9 Ų62.948%0.48135%0.347SS..  trans-58.7145.3173.7-26.737.1000112.5D101 V102 I103P99-D101 VanDerWaalsContact C-N 3.28Å; P99-D101 WeakPolarHBondContact CB-OD1 3.5Å; P99-D101 PolarHBondContact O-N 3.24Å; P99-V102 HydrophobicContact CB-CB 4.49Å; P99-V102 HydrophobicContact CB-CG2 4.11Å; P99-V102 HydrophobicContact CG-CG2 4.29Å; P99-V102 WeakPolarHBondContact O-CB 3.34Å; P99-V102 PolarHBondContact O-N 3.14Å; P99-I103 WeakPolarHBondContact O-CG1 3.41Å; P99-I103 PolarHBondContact O-N 3.43Å; P99-I103 VanDerWaalsContact O-N 3.11Å
100D92.6Very high93.8Very high119 Ų11963 Ų6364%0.63635%0.347SS*.Hα-helixtrans-64.7-30.8-176-72.6-14.5000113.2I103 R104D100-I103 PolarHBondContact O-N 3.39Å; D100-R104 WeakPolarHBondContact O-CB 3.41Å; D100-R104 PolarHBondContact O-N 3.19Å
101D95Very high93.9Very high104 Ų10462.6 Ų62.656%0.55635%0.347SS*.Hα-helixtrans-66.9-38.9174.861.9-46.9000112.1P99 R104 S105P99-D101 VanDerWaalsContact C-N 3.28Å; P99-D101 WeakPolarHBondContact CB-OD1 3.5Å; P99-D101 PolarHBondContact O-N 3.24Å; D101-R104 PolarHBondContact O-N 3.49Å; D101-S105 PolarHBondContact O-N 3.33Å
102V94.9Very high94.1Very high22 Ų2263.8 Ų63.813%0.13335%0.351CS..Hα-helixtrans-65.7-43.1173.2176.90000110.6A31 P99 R104 S105 F106A31-V102 HydrophobicContact CB-CG1 3.97Å; P99-V102 HydrophobicContact CB-CB 4.49Å; P99-V102 HydrophobicContact CB-CG2 4.11Å; P99-V102 HydrophobicContact CG-CG2 4.29Å; P99-V102 WeakPolarHBondContact O-CB 3.34Å; P99-V102 PolarHBondContact O-N 3.14Å; V102-R104 VanDerWaalsContact C-N 3.31Å; V102-R104 PolarHBondContact O-N 2.93Å; V102-S105 PolarHBondContact O-N 3.23Å; V102-S105 PolarHBondContact O-OG 2.85Å; V102-F106 HydrophobicContact CG1-CD2 4.36Å; V102-F106 HydrophobicContact CG1-CE1 4.1Å; V102-F106 HydrophobicContact CG1-CE2 3.59Å; V102-F106 HydrophobicContact CG1-CZ 3.42Å; V102-F106 VanDerWaalsContact CG1-CZ 3.42Å; V102-F106 WeakPolarHBondContact O-CG 3.33Å; V102-F106 PolarHBondContact O-N 3.44Å; V102-F106 VanDerWaalsContact O-N 3.12Å
103I95.6Very high94.4Very high17 Ų1763.5 Ų63.59%0.08735%0.349CS..Hα-helixtrans-62.6-41.8176.2-62.9160.2000110.5Y83 L98 P99 D100 S105 F106 C107Y83-I103 WeakPolarHBondContact OH-CD1 3.33Å; L98-I103 HydrophobicContact CB-CD1 4.08Å; L98-I103 HydrophobicContact CB-CG1 4.04Å; P99-I103 WeakPolarHBondContact O-CG1 3.41Å; P99-I103 PolarHBondContact O-N 3.43Å; P99-I103 VanDerWaalsContact O-N 3.11Å; D100-I103 PolarHBondContact O-N 3.39Å; I103-S105 VanDerWaalsContact C-N 3.34Å; I103-S105 PolarHBondContact O-N 3.36Å; I103-F106 PolarHBondContact O-N 2.97Å; I103-C107 PolarHBondContact O-N 2.81Å; I103-C107 PolarHBondContact O-SG 3.16Å
104R96.7Very high94.7Very high159 Ų15962.1 Ų62.160%0.634%0.344SS*.Hα-helixtrans-62.4-40.2176.3-171.4-179.1-60.7143.35.1111.6D100 D101 V102 F106 C107 N108D100-R104 WeakPolarHBondContact O-CB 3.41Å; D100-R104 PolarHBondContact O-N 3.19Å; D101-R104 PolarHBondContact O-N 3.49Å; V102-R104 VanDerWaalsContact C-N 3.31Å; V102-R104 PolarHBondContact O-N 2.93Å; R104-F106 VanDerWaalsContact C-N 3.35Å; R104-F106 PolarHBondContact O-N 3.06Å; R104-C107 PolarHBondContact O-N 3.34Å; R104-N108 VanDerWaalsContact O-CG 3.29Å; R104-N108 PolarHBondContact O-N 3.08Å
105S97.3Very high95Very high52 Ų5261.7 Ų61.736%0.36434%0.344SS..Hα-helixtrans-62.7-41.6177.4840000111.4D101 V102 I103 N108 H109D101-S105 PolarHBondContact O-N 3.33Å; V102-S105 PolarHBondContact O-N 3.23Å; V102-S105 PolarHBondContact O-OG 2.85Å; I103-S105 VanDerWaalsContact C-N 3.34Å; I103-S105 PolarHBondContact O-N 3.36Å; S105-N108 PolarHBondContact O-N 3.02Å; S105-H109 WeakPolarHBondContact O-CB 3.31Å; S105-H109 PolarHBondContact O-N 2.95Å
106F97.9Very high95.5Very high6 Ų658.9 Ų58.93%0.02633%0.329CS..Hα-helixtrans-64.7-41.2174.6-60.4-21.8000112.5A31 E32 F35 L78 L89 V102 I103 R104 N108 H109 L110A31-F106 HydrophobicContact CB-CE2 4.49Å; A31-F106 HydrophobicContact CB-CZ 4.02Å; A31-F106 WeakPolarHBondContact O-CZ 3.36Å; E32-F106 HydrophobicContact CG-CE1 4.21Å; F35-F106 HydrophobicContact CB-CD1 4.13Å; F35-F106 HydrophobicContact CB-CD2 4.3Å; F35-F106 HydrophobicContact CB-CE1 3.83Å; F35-F106 HydrophobicContact CB-CE2 4Å; F35-F106 HydrophobicContact CB-CG 4.37Å; F35-F106 HydrophobicContact CB-CZ 3.76Å; F35-F106 AromaticContact CD1-CD1 3.95Å; F35-F106 HydrophobicContact CD1-CD1 3.95Å; F35-F106 HydrophobicContact CD1-CE1 4.23Å; F35-F106 HydrophobicContact CD1-CG 4.45Å; F35-F106 HydrophobicContact CD2-CB 4.02Å; F35-F106 HydrophobicContact CD2-CD1 4.11Å; F35-F106 HydrophobicContact CD2-CD2 4.04Å; F35-F106 AromaticContact CD2-CG 3.79Å; F35-F106 HydrophobicContact CD2-CG 3.79Å; F35-F106 HydrophobicContact CE1-CD1 4.47Å; F35-F106 HydrophobicContact CE2-CB 3.92Å; F35-F106 HydrophobicContact CE2-CG 4.2Å; F35-F106 AromaticContact CG-CD1 3.76Å; F35-F106 HydrophobicContact CG-CD1 3.76Å; F35-F106 HydrophobicContact CG-CD2 4.23Å; F35-F106 AromaticContact CG-CE1 3.97Å; F35-F106 HydrophobicContact CG-CE1 3.97Å; F35-F106 HydrophobicContact CG-CE2 4.41Å; F35-F106 AromaticContact CG-CG 3.91Å; F35-F106 HydrophobicContact CG-CG 3.91Å; F35-F106 HydrophobicContact CG-CZ 4.29Å; F35-F106 HydrophobicContact CZ-CB 4.4Å; L78-F106 HydrophobicContact CD1-CB 4.39Å; L89-F106 HydrophobicContact CD1-CD2 3.95Å; L89-F106 HydrophobicContact CD1-CE2 3.96Å; L89-F106 HydrophobicContact CD2-CE2 3.75Å; L89-F106 HydrophobicContact CD2-CZ 4.36Å; V102-F106 HydrophobicContact CG1-CD2 4.36Å; V102-F106 HydrophobicContact CG1-CE1 4.1Å; V102-F106 HydrophobicContact CG1-CE2 3.59Å; V102-F106 HydrophobicContact CG1-CZ 3.42Å; V102-F106 VanDerWaalsContact CG1-CZ 3.42Å; V102-F106 WeakPolarHBondContact O-CG 3.33Å; V102-F106 PolarHBondContact O-N 3.44Å; V102-F106 VanDerWaalsContact O-N 3.12Å; I103-F106 PolarHBondContact O-N 2.97Å; R104-F106 VanDerWaalsContact C-N 3.35Å; R104-F106 PolarHBondContact O-N 3.06Å; F106-N108 VanDerWaalsContact C-N 3.33Å; F106-N108 PolarHBondContact O-N 2.79Å; F106-H109 PolarHBondContact O-N 3.05Å; F106-L110 WeakPolarHBondContact O-CG 3.21Å; F106-L110 PolarHBondContact O-N 3.46Å
107C98.2Very high96.3Very high14 Ų1455.9 Ų55.910%0.09530%0.296CS..Hα-helixtrans-63-40.2175.9-67.50000111.9R75 I103 R104 S111R75-C107 HydrophobicContact CG-CB 4.19Å; I103-C107 PolarHBondContact O-N 2.81Å; I103-C107 PolarHBondContact O-SG 3.16Å; R104-C107 PolarHBondContact O-N 3.34Å; C107-S111 PolarHBondContact O-N 3.18Å; C107-S111 VanDerWaalsContact O-N 3.15Å; C107-S111 PolarHBondContact O-OG 3.35Å
108N98.2Very high96.8Very high86 Ų8656.1 Ų56.146%0.4629%0.292SS..Hα-helixtrans-65.7-45.2175.5-72.2-9.5000111R104 S105 F106 L110 S111 M112R104-N108 VanDerWaalsContact O-CG 3.29Å; R104-N108 PolarHBondContact O-N 3.08Å; S105-N108 PolarHBondContact O-N 3.02Å; F106-N108 VanDerWaalsContact C-N 3.33Å; F106-N108 PolarHBondContact O-N 2.79Å; N108-L110 PolarHBondContact O-N 3.34Å; N108-S111 WeakPolarHBondContact O-CB 3.07Å; N108-S111 PolarHBondContact O-N 3.42Å; N108-M112 PolarHBondContact O-N 3.05Å
109H98.3Very high97.1Very high58 Ų5861.4 Ų61.427%0.26932%0.316SS..Hα-helixtrans-59.7-44.9176.5179.2-161000112F35 S105 F106 S111 M112 L113F35-H109 AromaticContact CE1-CE1 3.78Å; F35-H109 AromaticContact CE1-ND1 3.25Å; F35-H109 WeakPolarHBondContact CE1-ND1 3.43Å; F35-H109 AromaticContact CZ-ND1 3.89Å; S105-H109 WeakPolarHBondContact O-CB 3.31Å; S105-H109 PolarHBondContact O-N 2.95Å; F106-H109 PolarHBondContact O-N 3.05Å; H109-S111 PolarHBondContact O-N 3.28Å; H109-M112 HydrophobicContact CB-CE 4.46Å; H109-M112 PolarHBondContact O-N 3.01Å; H109-L113 VanDerWaalsContact O-CB 3.23Å; H109-L113 WeakPolarHBondContact O-CB 3.44Å; H109-L113 PolarHBondContact O-N 2.85Å
110L98.5Very high97.4Very high1 Ų165.4 Ų65.41%0.00532%0.321CS..Hα-helixtrans-62.1-30.3175.4-71.3173.7000113F35 L39 L71 F74 R75 L78 F86 F106 N108 H114F35-L110 HydrophobicContact CE2-CD1 4.32Å; F35-L110 HydrophobicContact CE2-CD2 4.34Å; F35-L110 HydrophobicContact CE2-CG 4.22Å; F35-L110 HydrophobicContact CZ-CD2 4Å; F35-L110 HydrophobicContact CZ-CG 4.01Å; L39-L110 HydrophobicContact CD1-CD2 4.14Å; L71-L110 HydrophobicContact CD2-CD2 4.11Å; F74-L110 HydrophobicContact CB-CD1 3.87Å; R75-L110 HydrophobicContact CB-CB 4.05Å; R75-L110 HydrophobicContact CB-CD1 4.22Å; L78-L110 HydrophobicContact CD1-CD1 3.61Å; F86-L110 HydrophobicContact CZ-CD1 4.2Å; F106-L110 WeakPolarHBondContact O-CG 3.21Å; F106-L110 PolarHBondContact O-N 3.46Å; N108-L110 PolarHBondContact O-N 3.34Å; L110-H114 WeakPolarHBondContact O-CB 3.14Å; L110-H114 PolarHBondContact O-N 2.85Å
111S98.2Very high97.5Very high22 Ų2262.1 Ų62.115%0.15430%0.301CS..Hα-helixtrans-71.5-49.3176.4-51.30000111.2R75 C107 N108 H109 L113 H114 E115R75-S111 WeakPolarHBondContact CD-OG 3.49Å; R75-S111 PolarHBondContact NE-OG 3.17Å; C107-S111 PolarHBondContact O-N 3.18Å; C107-S111 VanDerWaalsContact O-N 3.15Å; C107-S111 PolarHBondContact O-OG 3.35Å; N108-S111 WeakPolarHBondContact O-CB 3.07Å; N108-S111 PolarHBondContact O-N 3.42Å; H109-S111 PolarHBondContact O-N 3.28Å; S111-L113 VanDerWaalsContact C-N 3.31Å; S111-L113 PolarHBondContact O-N 3.06Å; S111-H114 WeakPolarHBondContact O-CB 3.37Å; S111-H114 PolarHBondContact O-N 3.15Å; S111-E115 PolarHBondContact O-N 2.85Å
112M98.3Very high97.7Very high106 Ų10664.3 Ų64.352%0.52230%0.301SS..Hα-helixtrans-59.8-43.9175.4-66.1-175.2-63.800111N108 H109 H114 E115 D116N108-M112 PolarHBondContact O-N 3.05Å; H109-M112 HydrophobicContact CB-CE 4.46Å; H109-M112 PolarHBondContact O-N 3.01Å; M112-H114 VanDerWaalsContact C-N 3.29Å; M112-H114 PolarHBondContact O-N 3.23Å; M112-E115 PolarHBondContact O-N 3.29Å; M112-E115 VanDerWaalsContact O-N 3.17Å; M112-D116 WeakPolarHBondContact O-CB 3.36Å; M112-D116 PolarHBondContact O-N 3.26Å
113L98.3Very high97.7Very high18 Ų1868.3 Ų68.39%0.09432%0.322CS..Hα-helixtrans-62.6-37.3177.8-175.461.7000112.6L39 F43 L71 H109 S111 M117L39-L113 HydrophobicContact CD1-CD2 4.03Å; L39-L113 HydrophobicContact CD2-CD2 3.9Å; L39-L113 HydrophobicContact CG-CD2 4.43Å; F43-L113 HydrophobicContact CE2-CD2 3.87Å; F43-L113 HydrophobicContact CZ-CD1 3.93Å; F43-L113 HydrophobicContact CZ-CD2 3.74Å; F43-L113 HydrophobicContact CZ-CG 4.2Å; L71-L113 HydrophobicContact CD1-CD2 4.28Å; L71-L113 HydrophobicContact CD1-CG 3.99Å; L71-L113 HydrophobicContact CD2-CD2 3.96Å; H109-L113 VanDerWaalsContact O-CB 3.23Å; H109-L113 WeakPolarHBondContact O-CB 3.44Å; H109-L113 PolarHBondContact O-N 2.85Å; S111-L113 VanDerWaalsContact C-N 3.31Å; S111-L113 PolarHBondContact O-N 3.06Å; L113-M117 HydrophobicContact CD1-CE 3.9Å; L113-M117 HydrophobicContact CD1-CG 4.3Å; L113-M117 HydrophobicContact CG-CG 4.47Å; L113-M117 VanDerWaalsContact O-CB 3.3Å; L113-M117 WeakPolarHBondContact O-CB 3.34Å; L113-M117 WeakPolarHBondContact O-CG 3.09Å; L113-M117 PolarHBondContact O-N 3.29Å
114H98.6Very high97.7Very high48 Ų4868.3 Ų68.322%0.22232%0.322CS..Hα-helixtrans-62.8-46.9174.2171.8-76.4000111.1I68 L71 S72 L110 S111 M112 M117 C118I68-H114 PolarHBondContact O-CD2 3.01Å; L71-H114 HydrophobicContact CB-CB 4.22Å; L71-H114 HydrophobicContact CD1-CB 4.28Å; S72-H114 PolarHBondContact OG-CD2 3.4Å; S72-H114 PolarHBondContact OG-NE2 2.99Å; L110-H114 WeakPolarHBondContact O-CB 3.14Å; L110-H114 PolarHBondContact O-N 2.85Å; S111-H114 WeakPolarHBondContact O-CB 3.37Å; S111-H114 PolarHBondContact O-N 3.15Å; M112-H114 VanDerWaalsContact C-N 3.29Å; M112-H114 PolarHBondContact O-N 3.23Å; H114-M117 PolarHBondContact O-N 3.49Å; H114-C118 PolarHBondContact CE1-SG 2.77Å; H114-C118 PolarHBondContact O-N 3.44Å; H114-C118 PolarHBondContact O-SG 3.2Å
115E98.4Very high97.7Very high127 Ų12762.6 Ų62.659%0.59330%0.303SS*.Hα-helixtrans-60.9-50.3177-70.1170.1-169.900111.6S111 M112 M117 C118 E119S111-E115 PolarHBondContact O-N 2.85Å; M112-E115 PolarHBondContact O-N 3.29Å; M112-E115 VanDerWaalsContact O-N 3.17Å; E115-M117 VanDerWaalsContact C-N 3.27Å; E115-M117 PolarHBondContact O-N 3.39Å; E115-C118 WeakPolarHBondContact O-CB 3.25Å; E115-C118 PolarHBondContact O-N 2.82Å; E115-C118 VanDerWaalsContact O-N 3.11Å; E115-E119 PolarHBondContact O-N 2.99Å
116D98.3Very high97.7Very high82 Ų8264 Ų6444%0.43931%0.313SS..Hα-helixtrans-57-40.9177.4-74.4-8.1000112M112 E119 R120M112-D116 WeakPolarHBondContact O-CB 3.36Å; M112-D116 PolarHBondContact O-N 3.26Å; D116-E119 PolarHBondContact O-N 2.75Å; D116-R120 WeakPolarHBondContact O-CB 3.45Å; D116-R120 PolarHBondContact O-N 3.06Å
117M97.9Very high97.6Very high9 Ų965.2 Ų65.24%0.04432%0.319CS..Hα-helixtrans-71.6-37.9178.8-71.4-79.2162.300111.8F43 I68 L71 L113 H114 E115 E119 R120 Y121F43-M117 HydrophobicContact CE1-CE 3.34Å; F43-M117 HydrophobicContact CE1-SD 4.33Å; F43-M117 HydrophobicContact CZ-CE 3.59Å; I68-M117 HydrophobicContact CD1-CB 3.89Å; I68-M117 HydrophobicContact CG1-CB 3.75Å; L71-M117 HydrophobicContact CD1-CG 4.31Å; L113-M117 HydrophobicContact CD1-CE 3.9Å; L113-M117 HydrophobicContact CD1-CG 4.3Å; L113-M117 HydrophobicContact CG-CG 4.47Å; L113-M117 VanDerWaalsContact O-CB 3.3Å; L113-M117 WeakPolarHBondContact O-CB 3.34Å; L113-M117 WeakPolarHBondContact O-CG 3.09Å; L113-M117 PolarHBondContact O-N 3.29Å; H114-M117 PolarHBondContact O-N 3.49Å; E115-M117 VanDerWaalsContact C-N 3.27Å; E115-M117 PolarHBondContact O-N 3.39Å; M117-E119 VanDerWaalsContact C-N 3.3Å; M117-E119 PolarHBondContact O-N 2.89Å; M117-R120 PolarHBondContact O-N 2.89Å; M117-Y121 WeakPolarHBondContact O-CB 3.48Å; M117-Y121 WeakPolarHBondContact O-CD2 3.48Å; M117-Y121 PolarHBondContact O-N 2.96Å; M117-Y121 HydrophobicContact SD-CD2 4.17Å; M117-Y121 HydrophobicContact SD-CE2 3.7Å
118C98.1Very high97.4Very high39 Ų3969.7 Ų69.726%0.26435%0.346SS..Hα-helixtrans-62.7-40.1174-71.30000111.5I68 H114 E115 R122I68-C118 VanDerWaalsContact CG2-SG 3.55Å; H114-C118 PolarHBondContact CE1-SG 2.77Å; H114-C118 PolarHBondContact O-N 3.44Å; H114-C118 PolarHBondContact O-SG 3.2Å; E115-C118 WeakPolarHBondContact O-CB 3.25Å; E115-C118 PolarHBondContact O-N 2.82Å; E115-C118 VanDerWaalsContact O-N 3.11Å; C118-R122 WeakPolarHBondContact O-CA 3.3Å; C118-R122 PolarHBondContact O-N 3.21Å; C118-R122 VanDerWaalsContact O-N 3.17Å
119E98.2Very high97.1Very high126 Ų12667.1 Ų67.159%0.58933%0.332SS*.Hα-helixtrans-68.5-49.8175.6179.1168.3-148.100111.7E115 D116 M117 Y121 R122E115-E119 PolarHBondContact O-N 2.99Å; D116-E119 PolarHBondContact O-N 2.75Å; M117-E119 VanDerWaalsContact C-N 3.3Å; M117-E119 PolarHBondContact O-N 2.89Å; E119-Y121 VanDerWaalsContact C-N 3.27Å; E119-Y121 PolarHBondContact O-N 2.66Å; E119-R122 VanDerWaalsContact O-CB 3.29Å; E119-R122 WeakPolarHBondContact O-CB 3.37Å; E119-R122 PolarHBondContact O-N 3.12Å
120R97.2Very high96.7Very high158 Ų15867 Ų6760%0.59633%0.333SS*.Hα-helixtrans-58.3-38-178.3179.8175-63164.15.5113.1D116 M117D116-R120 WeakPolarHBondContact O-CB 3.45Å; D116-R120 PolarHBondContact O-N 3.06Å; M117-R120 PolarHBondContact O-N 2.89Å
121Y96.3Very high96.3Very high51 Ų5171.8 Ų71.820%0.236%0.359CS..THydrogen-bonded Turntrans-107.222.3-177.7-65.9-74.5000112.8V64 M117 E119 D123 I124 L125V64-Y121 HydrophobicContact CG1-CD1 4.07Å; V64-Y121 HydrophobicContact CG1-CD2 3.69Å; V64-Y121 HydrophobicContact CG1-CE2 4.34Å; V64-Y121 HydrophobicContact CG1-CG 3.52Å; V64-Y121 HydrophobicContact CG2-CD1 4.06Å; V64-Y121 HydrophobicContact CG2-CE1 4.09Å; V64-Y121 HydrophobicContact CG2-CG 4.34Å; M117-Y121 WeakPolarHBondContact O-CB 3.48Å; M117-Y121 WeakPolarHBondContact O-CD2 3.48Å; M117-Y121 PolarHBondContact O-N 2.96Å; M117-Y121 HydrophobicContact SD-CD2 4.17Å; M117-Y121 HydrophobicContact SD-CE2 3.7Å; E119-Y121 VanDerWaalsContact C-N 3.27Å; E119-Y121 PolarHBondContact O-N 2.66Å; Y121-D123 PolarHBondContact O-N 3.38Å; Y121-I124 HydrophobicContact CD1-CG1 4.34Å; Y121-I124 PolarHBondContact O-N 3.24Å; Y121-I124 VanDerWaalsContact O-N 3.11Å; Y121-L125 WeakPolarHBondContact O-CB 3.32Å; Y121-L125 VanDerWaalsContact O-CG 3.25Å; Y121-L125 WeakPolarHBondContact O-CG 3.47Å; Y121-L125 PolarHBondContact O-N 3.07Å
122R97.7Very high96Very high149 Ų14971.1 Ų71.156%0.56235%0.353SS*.Hα-helixtrans-53.7-41.2-177.1-176.2-172-56-81.70.5112.4C118 E119 L125 S126C118-R122 WeakPolarHBondContact O-CA 3.3Å; C118-R122 PolarHBondContact O-N 3.21Å; C118-R122 VanDerWaalsContact O-N 3.17Å; E119-R122 VanDerWaalsContact O-CB 3.29Å; E119-R122 WeakPolarHBondContact O-CB 3.37Å; E119-R122 PolarHBondContact O-N 3.12Å; R122-L125 PolarHBondContact O-N 3.03Å; R122-S126 WeakPolarHBondContact O-CB 3.27Å; R122-S126 PolarHBondContact O-N 3.41Å; R122-S126 PolarHBondContact O-OG 3.29Å
123D96Very high95.7Very high107 Ų10766.1 Ų66.157%0.57233%0.328SS*.Hα-helixtrans-61.2-49176.860.4-24000112.2Y121 S126 M127Y121-D123 PolarHBondContact O-N 3.38Å; D123-S126 PolarHBondContact O-OG 3.48Å; D123-M127 WeakPolarHBondContact O-CB 3.48Å; D123-M127 PolarHBondContact O-N 3.29Å; D123-M127 VanDerWaalsContact O-N 3.13Å
124I96Very high95.4Very high17 Ų1768.8 Ų68.89%0.08734%0.342CS..Hα-helixtrans-64.8-41.6177.1-63.3-57.3000111.3L57 T60 K61 Y121 M127L57-I124 HydrophobicContact CD2-CD1 3.6Å; T60-I124 HydrophobicContact CG2-CD1 4.34Å; T60-I124 HydrophobicContact CG2-CG1 4.44Å; T60-I124 HydrophobicContact CG2-CG2 4.13Å; K61-I124 VanDerWaalsContact CA-CG2 3.45Å; K61-I124 HydrophobicContact CB-CG2 3.81Å; K61-I124 VanDerWaalsContact CD-O 3.29Å; K61-I124 WeakPolarHBondContact CD-O 3.29Å; K61-I124 HydrophobicContact CG-CG2 4.33Å; K61-I124 WeakPolarHBondContact CG-O 3.42Å; Y121-I124 HydrophobicContact CD1-CG1 4.34Å; Y121-I124 PolarHBondContact O-N 3.24Å; Y121-I124 VanDerWaalsContact O-N 3.11Å; I124-M127 WeakPolarHBondContact O-CB 3.32Å
125L97Very high95.1Very high38 Ų3869.5 Ų69.520%0.19935%0.347CS..Hα-helixtrans-71.3-42.2-177.8-68177.5000112.1K61 V64 K65 I68 Y121 R122 M127K61-L125 VanDerWaalsContact CE-O 3.32Å; K61-L125 WeakPolarHBondContact CE-O 3.37Å; K61-L125 PolarHBondContact NZ-O 2.89Å; V64-L125 HydrophobicContact CG1-CD2 4.3Å; K65-L125 HydrophobicContact CB-CD2 4.04Å; K65-L125 HydrophobicContact CD-CD2 3.94Å; I68-L125 HydrophobicContact CD1-CD1 3.74Å; I68-L125 HydrophobicContact CD1-CD2 4.36Å; I68-L125 HydrophobicContact CD1-CG 4.49Å; Y121-L125 WeakPolarHBondContact O-CB 3.32Å; Y121-L125 VanDerWaalsContact O-CG 3.25Å; Y121-L125 WeakPolarHBondContact O-CG 3.47Å; Y121-L125 PolarHBondContact O-N 3.07Å; R122-L125 PolarHBondContact O-N 3.03Å; L125-M127 VanDerWaalsContact C-N 3.3Å; L125-M127 PolarHBondContact O-N 2.92Å
126S96.7Very high94.7Very high83 Ų8363.4 Ų63.458%0.5832%0.319SS*.Hα-helixtrans-76.2-15.9-179.961.90000113.9R122 D123 T128R122-S126 WeakPolarHBondContact O-CB 3.27Å; R122-S126 PolarHBondContact O-N 3.41Å; R122-S126 PolarHBondContact O-OG 3.29Å; D123-S126 PolarHBondContact O-OG 3.48Å; S126-T128 PolarHBondContact O-N 2.81Å; S126-T128 VanDerWaalsContact O-N 3.13Å
127M95Very high94.4Very high31 Ų3161.3 Ų61.315%0.15331%0.306CS..  trans-56.1115.6177.9-178.6-178.463.900112.1L57 K61 D123 I124 L125 I129 F191L57-M127 HydrophobicContact CB-CE 3.92Å; L57-M127 HydrophobicContact CB-SD 3.85Å; L57-M127 HydrophobicContact CD1-SD 4.28Å; L57-M127 WeakPolarHBondContact O-CE 3.27Å; K61-M127 HydrophobicContact CB-CE 3.97Å; K61-M127 HydrophobicContact CD-CE 4.05Å; K61-M127 PolarHBondContact NZ-O 3.29Å; D123-M127 WeakPolarHBondContact O-CB 3.48Å; D123-M127 PolarHBondContact O-N 3.29Å; D123-M127 VanDerWaalsContact O-N 3.13Å; I124-M127 WeakPolarHBondContact O-CB 3.32Å; L125-M127 VanDerWaalsContact C-N 3.3Å; L125-M127 PolarHBondContact O-N 2.92Å; M127-I129 HydrophobicContact CE-CD1 4.1Å; M127-I129 HydrophobicContact CE-CG1 4.06Å; M127-F191 HydrophobicContact CE-CD1 4.24Å; M127-F191 HydrophobicContact CE-CE1 4.45Å; M127-F191 HydrophobicContact CG-CD1 4.26Å; M127-F191 HydrophobicContact CG-CE1 3.64Å; M127-F191 HydrophobicContact SD-CD1 3.58Å; M127-F191 VanDerWaalsContact SD-CD1 3.58Å; M127-F191 HydrophobicContact SD-CE1 3.59Å; M127-F191 VanDerWaalsContact SD-CE1 3.59Å
128T93.6Very high93.8Very high108 Ų10863.6 Ų63.666%0.66332%0.321SS*.PPolyproline II helixtrans-81124.3175.3-600000109.6S126 F191S126-T128 PolarHBondContact O-N 2.81Å; S126-T128 VanDerWaalsContact O-N 3.13Å; T128-F191 WeakPolarHBondContact O-CZ 3.43Å
129I92.1Very high92.3Very high32 Ų3267.8 Ų67.816%0.16435%0.349CS..PPolyproline II helixtrans-103.2121.8175.4-59.7161.6000105.8I58 K61 M127 L134 F191I58-I129 HydrophobicContact CB-CD1 4.2Å; I58-I129 HydrophobicContact CD1-CG2 4.13Å; I58-I129 HydrophobicContact CG1-CD1 3.85Å; I58-I129 HydrophobicContact CG1-CG1 4.12Å; I58-I129 HydrophobicContact CG1-CG2 4.08Å; I58-I129 HydrophobicContact CG2-CD1 4.13Å; K61-I129 HydrophobicContact CD-CD1 3.85Å; M127-I129 HydrophobicContact CE-CD1 4.1Å; M127-I129 HydrophobicContact CE-CG1 4.06Å; I129-L134 HydrophobicContact CG2-CD1 4.45Å; I129-L134 HydrophobicContact CG2-CD2 4.36Å; I129-L134 HydrophobicContact CG2-CG 4.22Å; I129-F191 HydrophobicContact CG1-CD1 4.37Å; I129-F191 HydrophobicContact CG1-CE1 4.2Å
130L90.1Very high91Very high55 Ų5564.2 Ų64.229%0.28833%0.331SS..PPolyproline II helixtrans-73.7132.2177.3-54.9175.2000109W132 I133 V187L130-W132 HydrophobicContact CB-CG 4.41Å; L130-W132 HydrophobicContact CD1-CZ2 3.73Å; L130-W132 PolarHBondContact O-N 3.37Å; L130-I133 HydrophobicContact CB-CD1 3.98Å; L130-I133 HydrophobicContact CB-CG1 4.17Å; L130-I133 HydrophobicContact CG-CD1 4.43Å; L130-I133 VanDerWaalsContact O-CB 3.26Å; L130-I133 WeakPolarHBondContact O-CB 3.44Å; L130-I133 WeakPolarHBondContact O-CG1 3.17Å; L130-I133 PolarHBondContact O-N 2.88Å; L130-V187 HydrophobicContact CD1-CG1 4.04Å
131D90Very high89.4Confident102 Ų10261.1 Ų61.155%0.54534%0.34SS..Hα-helixtrans-60.2-34-171.4-65.7-28.8000112.9I133 L134 D135 F140D131-I133 PolarHBondContact O-N 3.06Å; D131-I133 VanDerWaalsContact O-N 3.12Å; D131-L134 WeakPolarHBondContact O-CB 3.38Å; D131-L134 PolarHBondContact O-N 3.29Å; D131-D135 PolarHBondContact O-N 3.44Å; D131-F140 HydrophobicContact CB-CD1 3.73Å; D131-F140 HydrophobicContact CB-CE1 3.2Å; D131-F140 HydrophobicContact CB-CZ 3.71Å
132W91.7Very high88.3Confident8 Ų868.1 Ų68.13%0.0337%0.374CS..Hα-helixtrans-63.3-17.5175.964.8-102.9000113.7L130 L134 D135 P136 F140 L151 W172 L184 V187L130-W132 HydrophobicContact CB-CG 4.41Å; L130-W132 HydrophobicContact CD1-CZ2 3.73Å; L130-W132 PolarHBondContact O-N 3.37Å; W132-L134 VanDerWaalsContact C-N 3.32Å; W132-D135 CarbonylContact O-C 3.46Å; W132-P136 WeakPolarHBondContact O-CA 3.3Å; W132-P136 VanDerWaalsContact O-CB 3.29Å; W132-P136 WeakPolarHBondContact O-CB 3.47Å; W132-P136 WeakPolarHBondContact O-CD 3.18Å; W132-F140 HydrophobicContact CB-CD2 3.65Å; W132-F140 HydrophobicContact CB-CE2 3.42Å; W132-F140 VanDerWaalsContact CB-CE2 3.42Å; W132-F140 HydrophobicContact CB-CZ 4.25Å; W132-L151 HydrophobicContact CB-CD1 4.19Å; W132-L151 HydrophobicContact CB-CD2 4.27Å; W132-L151 HydrophobicContact CG-CD2 4.47Å; W132-W172 AromaticContact CE3-CH2 3.79Å; W132-W172 HydrophobicContact CE3-CH2 3.79Å; W132-W172 AromaticContact CE3-CZ2 3.78Å; W132-W172 HydrophobicContact CE3-CZ2 3.78Å; W132-W172 AromaticContact CZ3-CH2 3.5Å; W132-W172 HydrophobicContact CZ3-CH2 3.5Å; W132-W172 VanDerWaalsContact CZ3-CH2 3.5Å; W132-W172 AromaticContact CZ3-CZ2 3.77Å; W132-W172 HydrophobicContact CZ3-CZ2 3.77Å; W132-W172 HydrophobicContact CZ3-CZ3 4.27Å; W132-L184 HydrophobicContact CE3-CD2 4.17Å; W132-L184 HydrophobicContact CH2-CB 4.1Å; W132-L184 HydrophobicContact CH2-CD2 3.63Å; W132-L184 HydrophobicContact CH2-CG 4.49Å; W132-L184 HydrophobicContact CZ2-CD2 4.02Å; W132-L184 HydrophobicContact CZ3-CB 3.94Å; W132-L184 HydrophobicContact CZ3-CD2 3.75Å; W132-L184 HydrophobicContact CZ3-CG 4.37Å; W132-V187 HydrophobicContact CH2-CB 3.78Å; W132-V187 HydrophobicContact CH2-CG1 4.02Å; W132-V187 HydrophobicContact CH2-CG2 4.4Å; W132-V187 HydrophobicContact CZ2-CB 4.07Å; W132-V187 HydrophobicContact CZ2-CG1 3.94Å; W132-V187 HydrophobicContact CZ2-CG2 4.44Å
133I93Very high87.7Confident0 Ų062 Ų620%035%0.353CS..Hα-helixtrans-71.1-33.8172.2-60.4171.3000110.3I58 L130 D131 W172 V187 A188 F191I58-I133 HydrophobicContact CD1-CG2 3.94Å; L130-I133 HydrophobicContact CB-CD1 3.98Å; L130-I133 HydrophobicContact CB-CG1 4.17Å; L130-I133 HydrophobicContact CG-CD1 4.43Å; L130-I133 VanDerWaalsContact O-CB 3.26Å; L130-I133 WeakPolarHBondContact O-CB 3.44Å; L130-I133 WeakPolarHBondContact O-CG1 3.17Å; L130-I133 PolarHBondContact O-N 2.88Å; D131-I133 PolarHBondContact O-N 3.06Å; D131-I133 VanDerWaalsContact O-N 3.12Å; I133-W172 PolarHBondContact O-NE1 3.17Å; I133-V187 HydrophobicContact CD1-CG1 4.06Å; I133-A188 HydrophobicContact CG2-CB 4.34Å; I133-F191 HydrophobicContact CD1-CD2 3.63Å; I133-F191 HydrophobicContact CD1-CE2 3.49Å; I133-F191 VanDerWaalsContact CD1-CE2 3.49Å; I133-F191 HydrophobicContact CD1-CZ 4.33Å
134L92Very high87.4Confident74 Ų7462.7 Ų62.739%0.38735%0.353SS..Hα-helixtrans-82.1-39.1178.7-58.7179.3000111.4I58 I129 D131 W132 M164I58-L134 HydrophobicContact CD1-CD2 4.03Å; I58-L134 HydrophobicContact CG2-CD2 3.82Å; I129-L134 HydrophobicContact CG2-CD1 4.45Å; I129-L134 HydrophobicContact CG2-CD2 4.36Å; I129-L134 HydrophobicContact CG2-CG 4.22Å; D131-L134 WeakPolarHBondContact O-CB 3.38Å; D131-L134 PolarHBondContact O-N 3.29Å; W132-L134 VanDerWaalsContact C-N 3.32Å; L134-M164 WeakPolarHBondContact O-CE 3.07Å
135D91.5Very high87.2Confident63 Ų6367.4 Ų67.434%0.33738%0.382SS..  trans-145.587.8177.7-169.7-9.2000111.7D131 W132 F137 T138 F140D131-D135 PolarHBondContact O-N 3.44Å; W132-D135 CarbonylContact O-C 3.46Å; D135-F137 PolarHBondContact O-N 2.67Å; D135-F137 VanDerWaalsContact O-N 3.12Å; D135-F137 PolarHBondContact OD1-N 3.38Å; D135-F137 VanDerWaalsContact OD1-N 3.15Å; D135-T138 HydrophobicContact CB-CG2 4.43Å; D135-T138 PolarHBondContact O-N 3.02Å; D135-T138 PolarHBondContact O-OG1 3.33Å; D135-T138 WeakPolarHBondContact OD2-CG2 3.41Å; D135-F140 WeakPolarHBondContact O-CE2 3.41Å; D135-F140 WeakPolarHBondContact O-CZ 3.22Å
136P91.5Very high87Confident0 Ų067.8 Ų67.80%039%0.391CS..THydrogen-bonded Turntrans-67.7-13.1-177.724-27.3000113.2W132 L151 M154 Q155 M164 F171 W172W132-P136 WeakPolarHBondContact O-CA 3.3Å; W132-P136 VanDerWaalsContact O-CB 3.29Å; W132-P136 WeakPolarHBondContact O-CB 3.47Å; W132-P136 WeakPolarHBondContact O-CD 3.18Å; P136-L151 HydrophobicContact CB-CD1 4.11Å; P136-M154 HydrophobicContact CB-SD 3.62Å; P136-M154 HydrophobicContact CG-SD 3.95Å; P136-Q155 WeakPolarHBondContact O-CG 3.44Å; P136-Q155 PolarHBondContact O-NE2 2.93Å; P136-M164 HydrophobicContact CG-CE 4.23Å; P136-M164 HydrophobicContact CG-SD 4.34Å; P136-F171 HydrophobicContact CG-CD1 4.27Å; P136-F171 HydrophobicContact CG-CE1 3.68Å; P136-F171 HydrophobicContact CG-CZ 4.15Å; P136-W172 HydrophobicContact CB-CH2 4.3Å; P136-W172 HydrophobicContact CB-CZ2 3.99Å; P136-W172 HydrophobicContact CG-CH2 4.5Å; P136-W172 HydrophobicContact CG-CZ2 3.92Å
137F91.2Very high86.8Confident38 Ų3866 Ų6617%0.16737%0.372CS..THydrogen-bonded Turntrans-921.4-176.4-64-85.7000113.7D135 M154 L160 K161 M164 F171D135-F137 PolarHBondContact O-N 2.67Å; D135-F137 VanDerWaalsContact O-N 3.12Å; D135-F137 PolarHBondContact OD1-N 3.38Å; D135-F137 VanDerWaalsContact OD1-N 3.15Å; F137-M154 VanDerWaalsContact CE1-O 3.25Å; F137-M154 WeakPolarHBondContact CE1-O 3.43Å; F137-M154 HydrophobicContact CZ-CG 4.28Å; F137-L160 HydrophobicContact CE1-CB 4.38Å; F137-L160 HydrophobicContact CZ-CB 3.83Å; F137-K161 HydrophobicContact CD1-CB 3.89Å; F137-K161 HydrophobicContact CD1-CD 4.46Å; F137-K161 HydrophobicContact CD1-CG 3.95Å; F137-K161 HydrophobicContact CE1-CB 3.72Å; F137-K161 HydrophobicContact CE1-CG 4.29Å; F137-K161 HydrophobicContact CG-CB 4.42Å; F137-K161 HydrophobicContact CG-CG 4.12Å; F137-K161 HydrophobicContact CZ-CB 4.13Å; F137-K161 VanDerWaalsContact CZ-N 3.34Å; F137-M164 HydrophobicContact CD2-CB 4.06Å; F137-M164 HydrophobicContact CD2-CG 3.96Å; F137-M164 HydrophobicContact CE2-CB 3.72Å; F137-M164 HydrophobicContact CE2-CG 3.97Å; F137-F171 AromaticContact CE2-CE2 3.82Å; F137-F171 HydrophobicContact CE2-CE2 3.82Å; F137-F171 AromaticContact CE2-CZ 3.82Å; F137-F171 HydrophobicContact CE2-CZ 3.82Å; F137-F171 AromaticContact CZ-CE2 3.96Å; F137-F171 HydrophobicContact CZ-CE2 3.96Å; F137-F171 AromaticContact CZ-CZ 3.98Å; F137-F171 HydrophobicContact CZ-CZ 3.98Å
138T85.6Confident86.6Confident57 Ų5768.6 Ų68.635%0.3538%0.384SS..SBendtrans-98.3152.3174.350.50000111.5D135 F140 Q155D135-T138 HydrophobicContact CB-CG2 4.43Å; D135-T138 PolarHBondContact O-N 3.02Å; D135-T138 PolarHBondContact O-OG1 3.33Å; D135-T138 WeakPolarHBondContact OD2-CG2 3.41Å; T138-F140 WeakPolarHBondContact O-CD2 3.39Å; T138-F140 WeakPolarHBondContact O-CE2 3.49Å; T138-F140 WeakPolarHBondContact OG1-CE2 3.48Å; T138-F140 WeakPolarHBondContact OG1-CZ 3.46Å; T138-Q155 PolarHBondContact O-NE2 3.48Å
139C67Low86.6Confident126 Ų12669.2 Ų69.285%0.85138%0.379SS*.  trans-80.6127.6-176.1-176.10000110.3
140F70.1Confident86.8Confident51 Ų5168.1 Ų68.122%0.22437%0.373CS..  trans-122.3119.8180-56.1-71.9000110.7D131 W132 D135 T138 V143D131-F140 HydrophobicContact CB-CD1 3.73Å; D131-F140 HydrophobicContact CB-CE1 3.2Å; D131-F140 HydrophobicContact CB-CZ 3.71Å; W132-F140 HydrophobicContact CB-CD2 3.65Å; W132-F140 HydrophobicContact CB-CE2 3.42Å; W132-F140 VanDerWaalsContact CB-CE2 3.42Å; W132-F140 HydrophobicContact CB-CZ 4.25Å; D135-F140 WeakPolarHBondContact O-CE2 3.41Å; D135-F140 WeakPolarHBondContact O-CZ 3.22Å; T138-F140 WeakPolarHBondContact O-CD2 3.39Å; T138-F140 WeakPolarHBondContact O-CE2 3.49Å; T138-F140 WeakPolarHBondContact OG1-CE2 3.48Å; T138-F140 WeakPolarHBondContact OG1-CZ 3.46Å; F140-V143 HydrophobicContact CB-CG2 3.91Å
141A62.9Low86.9Confident94 Ų9465.9 Ų65.978%0.77736%0.362SS*.THydrogen-bonded Turntrans-67.6138.915800000107.5
142E73.6Confident87.1Confident198 Ų19866.3 Ų66.393%0.92536%0.363SS*.THydrogen-bonded Turntrans83.536.3174.9-46.4179.5175.800117.5
143V84.8Confident87.2Confident19 Ų1971.4 Ų71.412%0.11539%0.387CS..  trans-82.7131.3164.1-177.70000110.2F140 V145 Q148 L151F140-V143 HydrophobicContact CB-CG2 3.91Å; V143-V145 PolarHBondContact O-N 3.4Å; V143-Q148 HydrophobicContact CB-CG 4.28Å; V143-Q148 HydrophobicContact CG1-CG 4.21Å; V143-Q148 PolarHBondContact O-NE2 2.92Å; V143-L151 HydrophobicContact CG1-CD2 4.2Å; V143-L151 HydrophobicContact CG2-CD2 3.83Å
144E89.8Confident87.3Confident122 Ų12271.4 Ų71.457%0.5739%0.387SS*.  trans-54.9138.2173.9-66.7179.5-13600111.6A146 Y147E144-A146 PolarHBondContact O-N 2.94Å; E144-Y147 HydrophobicContact CB-CD2 3.83Å; E144-Y147 HydrophobicContact CB-CE2 3.99Å; E144-Y147 HydrophobicContact CG-CE2 4.44Å; E144-Y147 PolarHBondContact O-N 3.04Å
145V92Very high87.3Confident116 Ų11670.6 Ų70.670%0.70338%0.381SS*.Hα-helixtrans-50.3-35.8-175.5178.10000112.6V143 Y147 Q148V143-V145 PolarHBondContact O-N 3.4Å; V145-Y147 PolarHBondContact O-N 2.93Å; V145-Y147 VanDerWaalsContact O-N 3.07Å; V145-Q148 PolarHBondContact O-N 3.5Å
146A92.3Very high87.4Confident47 Ų4771.2 Ų71.239%0.38840%0.395SS..Hα-helixtrans-60.4-19.7-179.400000114.5E144 R183E144-A146 PolarHBondContact O-N 2.94Å; A146-R183 VanDerWaalsContact O-CD 3.32Å; A146-R183 WeakPolarHBondContact O-CD 3.48Å; A146-R183 PolarHBondContact O-NE 3.28Å; A146-R183 PolarHBondContact O-NH1 3.44Å
147Y92.5Very high87.5Confident46 Ų4673 Ų7318%0.1841%0.405CS..Hα-helixtrans-111.7-12-173.9-54.5-44.9000113.9E144 V145 E149 L151 R183 L184 V187E144-Y147 HydrophobicContact CB-CD2 3.83Å; E144-Y147 HydrophobicContact CB-CE2 3.99Å; E144-Y147 HydrophobicContact CG-CE2 4.44Å; E144-Y147 PolarHBondContact O-N 3.04Å; V145-Y147 PolarHBondContact O-N 2.93Å; V145-Y147 VanDerWaalsContact O-N 3.07Å; Y147-E149 PolarHBondContact O-N 3.47Å; Y147-L151 WeakPolarHBondContact O-CB 3.42Å; Y147-L151 PolarHBondContact O-N 3.11Å; Y147-R183 HydrophobicContact CD1-CB 4.02Å; Y147-R183 HydrophobicContact CE1-CB 4.26Å; Y147-L184 HydrophobicContact CD1-CD2 4.46Å; Y147-L184 HydrophobicContact CG-CD2 4.29Å; Y147-V187 HydrophobicContact CE1-CG2 3.85Å; Y147-V187 HydrophobicContact CE2-CG2 4.23Å
148Q92Very high87.5Confident85 Ų8576.8 Ų76.840%0.39742%0.423SS..Hα-helixtrans-62.9-45.6-169-69.9178.3-6.300113.2V143 V145 L151 I152V143-Q148 HydrophobicContact CB-CG 4.28Å; V143-Q148 HydrophobicContact CG1-CG 4.21Å; V143-Q148 PolarHBondContact O-NE2 2.92Å; V145-Q148 PolarHBondContact O-N 3.5Å; Q148-L151 PolarHBondContact O-N 3.11Å; Q148-I152 VanDerWaalsContact O-CG1 3.28Å; Q148-I152 WeakPolarHBondContact O-CG1 3.42Å; Q148-I152 PolarHBondContact O-N 2.89Å
149E93.6Very high87.8Confident121 Ų12180.7 Ų80.757%0.56544%0.437SS*.Hα-helixtrans-61-53.2-179.4-65.9173.8162.900112Y147 L151 I152 E153 R183Y147-E149 PolarHBondContact O-N 3.47Å; E149-L151 PolarHBondContact O-N 3.31Å; E149-I152 PolarHBondContact O-N 3.44Å; E149-E153 WeakPolarHBondContact O-CG 3.46Å; E149-E153 PolarHBondContact O-N 2.92Å; E149-R183 IonicContact OE2-NH1 2.93Å; E149-R183 IonicContact OE2-NH2 2.75Å; E149-R183 PolarHBondContact OE2-NH2 3.28Å
150E95.1Very high89.1Confident9 Ų974.7 Ų74.74%0.04240%0.396CS..Hα-helixtrans-60-35.5178.3-78.2-176.1-158.900111.5M154 Y181 P182 R183 L184E150-M154 VanDerWaalsContact O-CB 3.28Å; E150-M154 WeakPolarHBondContact O-CB 3.4Å; E150-M154 PolarHBondContact O-N 3.49Å; E150-Y181 HydrophobicContact CB-CD1 4.05Å; E150-Y181 HydrophobicContact CG-CD1 4.35Å; E150-Y181 WeakPolarHBondContact O-CD1 3.14Å; E150-Y181 VanDerWaalsContact OE2-CA 3.25Å; E150-Y181 WeakPolarHBondContact OE2-CA 3.44Å; E150-P182 WeakPolarHBondContact OE1-CD 3.09Å; E150-R183 VanDerWaalsContact OE1-CB 3.28Å; E150-R183 WeakPolarHBondContact OE1-CB 3.41Å; E150-R183 WeakPolarHBondContact OE1-CG 3.49Å; E150-R183 IonicContact OE1-CZ 3.73Å; E150-R183 PolarHBondContact OE1-N 3.33Å; E150-R183 IonicContact OE1-NE 3.76Å; E150-R183 PolarHBondContact OE1-NE 3.34Å; E150-R183 IonicContact OE1-NH2 3.44Å; E150-R183 WeakPolarHBondContact OE2-CA 3.11Å; E150-R183 WeakPolarHBondContact OE2-CB 3.43Å; E150-R183 PolarHBondContact OE2-N 3.31Å; E150-L184 HydrophobicContact CB-CD1 3.8Å; E150-L184 HydrophobicContact CB-CG 3.84Å; E150-L184 PolarHBondContact OE2-N 2.83Å
151L93.7Very high90.1Very high8 Ų876.9 Ų76.94%0.04241%0.406CS..Hα-helixtrans-69.9-42.3179-168.965.6000111.2W132 P136 V143 Y147 Q148 E149 M154 Q155 L184W132-L151 HydrophobicContact CB-CD1 4.19Å; W132-L151 HydrophobicContact CB-CD2 4.27Å; W132-L151 HydrophobicContact CG-CD2 4.47Å; P136-L151 HydrophobicContact CB-CD1 4.11Å; V143-L151 HydrophobicContact CG1-CD2 4.2Å; V143-L151 HydrophobicContact CG2-CD2 3.83Å; Y147-L151 WeakPolarHBondContact O-CB 3.42Å; Y147-L151 PolarHBondContact O-N 3.11Å; Q148-L151 PolarHBondContact O-N 3.11Å; E149-L151 PolarHBondContact O-N 3.31Å; L151-M154 PolarHBondContact O-N 3.36Å; L151-Q155 HydrophobicContact CG-CG 4.43Å; L151-Q155 VanDerWaalsContact O-CB 3.27Å; L151-Q155 WeakPolarHBondContact O-CB 3.41Å; L151-Q155 WeakPolarHBondContact O-CG 3.31Å; L151-Q155 PolarHBondContact O-N 3.49Å; L151-L184 HydrophobicContact CB-CD1 4.19Å; L151-L184 HydrophobicContact CB-CD2 4.43Å; L151-L184 HydrophobicContact CD1-CD1 4.07Å
152I92.7Very high91.4Very high110 Ų11077.8 Ų77.856%0.56440%0.397SS*.Hα-helixtrans-61.9-45.5175.4-70.2165.1000110.6Q148 E149 M154 Q155 A156Q148-I152 VanDerWaalsContact O-CG1 3.28Å; Q148-I152 WeakPolarHBondContact O-CG1 3.42Å; Q148-I152 PolarHBondContact O-N 2.89Å; E149-I152 PolarHBondContact O-N 3.44Å; I152-M154 PolarHBondContact O-N 3.01Å; I152-Q155 PolarHBondContact O-N 3.44Å; I152-A156 WeakPolarHBondContact O-CB 3.29Å; I152-A156 PolarHBondContact O-N 3.12Å
153E94.5Very high92.3Very high115 Ų11571.8 Ų71.854%0.53737%0.368SS..Hα-helixtrans-62.5-41.2177.4-71.4174177.600112.1E149 N157 Y181E149-E153 WeakPolarHBondContact O-CG 3.46Å; E149-E153 PolarHBondContact O-N 2.92Å; E153-N157 PolarHBondContact O-N 3.41Å; E153-Y181 HydrophobicContact CB-CE1 3.88Å
154M94.2Very high92.6Very high0 Ų072.1 Ų72.10%037%0.368CS..Hα-helixtrans-65.2-45174.8-178.1-178.4-68.500111.6P136 F137 E150 L151 I152 A156 N157 L160 F171 W172 I177 Y181 L184P136-M154 HydrophobicContact CB-SD 3.62Å; P136-M154 HydrophobicContact CG-SD 3.95Å; F137-M154 VanDerWaalsContact CE1-O 3.25Å; F137-M154 WeakPolarHBondContact CE1-O 3.43Å; F137-M154 HydrophobicContact CZ-CG 4.28Å; E150-M154 VanDerWaalsContact O-CB 3.28Å; E150-M154 WeakPolarHBondContact O-CB 3.4Å; E150-M154 PolarHBondContact O-N 3.49Å; L151-M154 PolarHBondContact O-N 3.36Å; I152-M154 PolarHBondContact O-N 3.01Å; M154-A156 VanDerWaalsContact C-N 3.3Å; M154-A156 PolarHBondContact O-N 3.22Å; M154-N157 WeakPolarHBondContact O-CB 3.5Å; M154-N157 PolarHBondContact O-N 3.33Å; M154-N157 VanDerWaalsContact O-N 3.08Å; M154-L160 HydrophobicContact CG-CD1 4.48Å; M154-F171 HydrophobicContact CE-CE1 4.26Å; M154-F171 HydrophobicContact CE-CZ 4.26Å; M154-F171 HydrophobicContact CG-CZ 4.19Å; M154-F171 HydrophobicContact SD-CE1 3.76Å; M154-F171 HydrophobicContact SD-CZ 3.66Å; M154-W172 HydrophobicContact CE-CH2 3.86Å; M154-W172 HydrophobicContact CE-CZ3 3.74Å; M154-W172 HydrophobicContact SD-CH2 3.93Å; M154-W172 HydrophobicContact SD-CZ3 4.38Å; M154-I177 HydrophobicContact CE-CD1 4.29Å; M154-I177 HydrophobicContact CE-CG2 4.16Å; M154-Y181 HydrophobicContact CB-CD1 4.13Å; M154-Y181 HydrophobicContact CB-CD2 4.49Å; M154-Y181 HydrophobicContact CB-CE1 3.81Å; M154-Y181 HydrophobicContact CB-CE2 4.2Å; M154-Y181 HydrophobicContact CB-CG 4.45Å; M154-Y181 HydrophobicContact CE-CD1 4.19Å; M154-Y181 HydrophobicContact CE-CD2 3.28Å; M154-Y181 HydrophobicContact CE-CE2 3.92Å; M154-Y181 HydrophobicContact CE-CG 3.43Å; M154-Y181 VanDerWaalsContact CE-CG 3.43Å; M154-Y181 HydrophobicContact CG-CE2 4.29Å; M154-L184 HydrophobicContact CE-CD1 3.7Å; M154-L184 HydrophobicContact SD-CD1 4.25Å
155Q93.1Very high92.5Very high57 Ų5774.6 Ų74.627%0.26638%0.377SS..Hα-helixtrans-63.1-36-179.9-77.8175-1200112.6P136 T138 L151 I152 N157P136-Q155 WeakPolarHBondContact O-CG 3.44Å; P136-Q155 PolarHBondContact O-NE2 2.93Å; T138-Q155 PolarHBondContact O-NE2 3.48Å; L151-Q155 HydrophobicContact CG-CG 4.43Å; L151-Q155 VanDerWaalsContact O-CB 3.27Å; L151-Q155 WeakPolarHBondContact O-CB 3.41Å; L151-Q155 WeakPolarHBondContact O-CG 3.31Å; L151-Q155 PolarHBondContact O-N 3.49Å; I152-Q155 PolarHBondContact O-N 3.44Å; Q155-N157 PolarHBondContact O-N 3.11Å
156A93.2Very high92.4Very high76 Ų7673 Ų7363%0.62837%0.372SS*.THydrogen-bonded Turntrans-72.4-13.417600000113.4I152 M154 E158I152-A156 WeakPolarHBondContact O-CB 3.29Å; I152-A156 PolarHBondContact O-N 3.12Å; M154-A156 VanDerWaalsContact C-N 3.3Å; M154-A156 PolarHBondContact O-N 3.22Å; A156-E158 PolarHBondContact O-N 3.37Å
157N93.4Very high92.3Very high38 Ų3872.2 Ų72.220%0.20337%0.368CS..  trans-86.894.9-178.1-169.4-33.3000111.6E153 M154 Q155 E159 L160 K161E153-N157 PolarHBondContact O-N 3.41Å; M154-N157 WeakPolarHBondContact O-CB 3.5Å; M154-N157 PolarHBondContact O-N 3.33Å; M154-N157 VanDerWaalsContact O-N 3.08Å; Q155-N157 PolarHBondContact O-N 3.11Å; N157-E159 VanDerWaalsContact C-N 3.26Å; N157-E159 PolarHBondContact O-N 2.91Å; N157-E159 WeakPolarHBondContact OD1-CB 3.5Å; N157-E159 PolarHBondContact OD1-N 2.9Å; N157-E159 VanDerWaalsContact OD1-N 3.1Å; N157-L160 HydrophobicContact CB-CB 4.14Å; N157-L160 HydrophobicContact CB-CD1 3.92Å; N157-L160 HydrophobicContact CB-CG 4.09Å; N157-L160 VanDerWaalsContact CG-CG 3.48Å; N157-L160 WeakPolarHBondContact ND2-CD1 3.25Å; N157-L160 PolarHBondContact O-N 3.32Å; N157-L160 PolarHBondContact OD1-N 3.04Å; N157-L160 VanDerWaalsContact OD1-N 3.08Å; N157-K161 PolarHBondContact O-N 3.47Å
158E91.5Very high92.4Very high118 Ų11872 Ų7255%0.55137%0.367SS*.Hα-helixtrans-63.8-26.7179.3-68.3-64.8163.700113.6A156 K161 L162A156-E158 PolarHBondContact O-N 3.37Å; E158-K161 WeakPolarHBondContact O-CB 3.45Å; E158-K161 PolarHBondContact O-N 2.98Å; E158-K161 IonicContact OE1-NZ 3.19Å; E158-K161 WeakPolarHBondContact OE2-CD 3.39Å; E158-K161 IonicContact OE2-NZ 3.93Å; E158-K161 PolarHBondContact OE2-NZ 3.46Å; E158-L162 PolarHBondContact O-N 2.61Å
159E92.6Very high92.4Very high138 Ų13868.8 Ų68.865%0.64535%0.354SS*.Hα-helixtrans-68-42.6175.4-61.2-173175.700111.1N157 K161 L162 K163N157-E159 VanDerWaalsContact C-N 3.26Å; N157-E159 PolarHBondContact O-N 2.91Å; N157-E159 WeakPolarHBondContact OD1-CB 3.5Å; N157-E159 PolarHBondContact OD1-N 2.9Å; N157-E159 VanDerWaalsContact OD1-N 3.1Å; E159-K161 VanDerWaalsContact C-N 3.3Å; E159-K161 PolarHBondContact O-N 2.84Å; E159-L162 WeakPolarHBondContact O-CB 3.28Å; E159-L162 PolarHBondContact O-N 3.08Å; E159-K163 PolarHBondContact O-N 3.45Å
160L93.1Very high92.3Very high0 Ų065.3 Ų65.30%034%0.343CS..Hα-helixtrans-66.4-33.5177.9-70.6-177.3000112.4F137 M154 N157 L162 K163 M164 F171 I177 Y181F137-L160 HydrophobicContact CE1-CB 4.38Å; F137-L160 HydrophobicContact CZ-CB 3.83Å; M154-L160 HydrophobicContact CG-CD1 4.48Å; N157-L160 HydrophobicContact CB-CB 4.14Å; N157-L160 HydrophobicContact CB-CD1 3.92Å; N157-L160 HydrophobicContact CB-CG 4.09Å; N157-L160 VanDerWaalsContact CG-CG 3.48Å; N157-L160 WeakPolarHBondContact ND2-CD1 3.25Å; N157-L160 PolarHBondContact O-N 3.32Å; N157-L160 PolarHBondContact OD1-N 3.04Å; N157-L160 VanDerWaalsContact OD1-N 3.08Å; L160-L162 PolarHBondContact O-N 3.5Å; L160-K163 HydrophobicContact CD2-CD 4.08Å; L160-K163 WeakPolarHBondContact O-CB 3.46Å; L160-K163 PolarHBondContact O-N 3.07Å; L160-M164 PolarHBondContact O-N 2.9Å; L160-F171 HydrophobicContact CB-CE2 4.1Å; L160-I177 HydrophobicContact CD1-CD1 3.79Å; L160-I177 HydrophobicContact CD2-CD1 3.87Å; L160-I177 HydrophobicContact CG-CD1 4.4Å; L160-Y181 HydrophobicContact CD1-CE2 3.48Å; L160-Y181 VanDerWaalsContact CD1-CE2 3.48Å
161K91Very high92.3Very high97 Ų9764.9 Ų64.942%0.42234%0.341SS..Hα-helixtrans-58.9-36.3174.6-166.9-178.4-172.11710112.4F137 N157 E158 E159 M164F137-K161 HydrophobicContact CD1-CB 3.89Å; F137-K161 HydrophobicContact CD1-CD 4.46Å; F137-K161 HydrophobicContact CD1-CG 3.95Å; F137-K161 HydrophobicContact CE1-CB 3.72Å; F137-K161 HydrophobicContact CE1-CG 4.29Å; F137-K161 HydrophobicContact CG-CB 4.42Å; F137-K161 HydrophobicContact CG-CG 4.12Å; F137-K161 HydrophobicContact CZ-CB 4.13Å; F137-K161 VanDerWaalsContact CZ-N 3.34Å; N157-K161 PolarHBondContact O-N 3.47Å; E158-K161 WeakPolarHBondContact O-CB 3.45Å; E158-K161 PolarHBondContact O-N 2.98Å; E158-K161 IonicContact OE1-NZ 3.19Å; E158-K161 WeakPolarHBondContact OE2-CD 3.39Å; E158-K161 IonicContact OE2-NZ 3.93Å; E158-K161 PolarHBondContact OE2-NZ 3.46Å; E159-K161 VanDerWaalsContact C-N 3.3Å; E159-K161 PolarHBondContact O-N 2.84Å; K161-M164 WeakPolarHBondContact O-CB 3.46Å; K161-M164 PolarHBondContact O-N 3.24Å
162L91Very high92.4Very high113 Ų11364.5 Ų64.559%0.59234%0.339SS*.Hα-helixtrans-66.7-39.2174.4-64.8174.5000111.7E158 E159 L160 M164 K165E158-L162 PolarHBondContact O-N 2.61Å; E159-L162 WeakPolarHBondContact O-CB 3.28Å; E159-L162 PolarHBondContact O-N 3.08Å; L160-L162 PolarHBondContact O-N 3.5Å; L162-M164 VanDerWaalsContact C-N 3.29Å; L162-M164 PolarHBondContact O-N 3.23Å; L162-K165 WeakPolarHBondContact O-CB 3.39Å; L162-K165 WeakPolarHBondContact O-CG 3.35Å; L162-K165 PolarHBondContact O-N 3.43Å
163K91.6Very high92.5Very high72 Ų7263.6 Ų63.631%0.31333%0.334SS..Hα-helixtrans-67.9-30.9179.5-56.1-172.6-169.6176.50112.3E159 L160 K165 S166 E176E159-K163 PolarHBondContact O-N 3.45Å; L160-K163 HydrophobicContact CD2-CD 4.08Å; L160-K163 WeakPolarHBondContact O-CB 3.46Å; L160-K163 PolarHBondContact O-N 3.07Å; K163-K165 PolarHBondContact O-N 3.23Å; K163-S166 PolarHBondContact O-N 3.38Å; K163-S166 PolarHBondContact O-OG 2.82Å; K163-E176 IonicContact NZ-OE2 2.88Å; K163-E176 PolarHBondContact NZ-OE2 3.35Å
164M91.6Very high92.5Very high26 Ų2660.2 Ų60.213%0.12832%0.319CS..Hα-helixtrans-59.1-25.5176-170.461.2178.200113.5L134 P136 F137 L160 K161 L162 S166 G167 F171L134-M164 WeakPolarHBondContact O-CE 3.07Å; P136-M164 HydrophobicContact CG-CE 4.23Å; P136-M164 HydrophobicContact CG-SD 4.34Å; F137-M164 HydrophobicContact CD2-CB 4.06Å; F137-M164 HydrophobicContact CD2-CG 3.96Å; F137-M164 HydrophobicContact CE2-CB 3.72Å; F137-M164 HydrophobicContact CE2-CG 3.97Å; L160-M164 PolarHBondContact O-N 2.9Å; K161-M164 WeakPolarHBondContact O-CB 3.46Å; K161-M164 PolarHBondContact O-N 3.24Å; L162-M164 VanDerWaalsContact C-N 3.29Å; L162-M164 PolarHBondContact O-N 3.23Å; M164-S166 PolarHBondContact O-N 3Å; M164-G167 WeakPolarHBondContact O-CA 3.36Å; M164-G167 PolarHBondContact O-N 3.05Å; M164-F171 HydrophobicContact CB-CD2 4.04Å; M164-F171 HydrophobicContact CB-CE2 4.45Å; M164-F171 HydrophobicContact SD-CB 3.51Å; M164-F171 VanDerWaalsContact SD-CB 3.51Å; M164-F171 HydrophobicContact SD-CD1 3.73Å; M164-F171 HydrophobicContact SD-CD2 3.89Å; M164-F171 HydrophobicContact SD-CE1 4.43Å; M164-F171 HydrophobicContact SD-CG 3.42Å; M164-F171 WeakPolarHBondContact SD-CG 3.44Å
165K89Confident92.5Very high174 Ų17467.1 Ų67.176%0.75735%0.351SS*.THydrogen-bonded Turntrans-58.9-22.1177.4-65.4-177.4177.7178.10113.9L162 K163 G167L162-K165 WeakPolarHBondContact O-CB 3.39Å; L162-K165 WeakPolarHBondContact O-CG 3.35Å; L162-K165 PolarHBondContact O-N 3.43Å; K163-K165 PolarHBondContact O-N 3.23Å; K165-G167 PolarHBondContact O-N 3.4Å
166S87.9Confident92.6Very high83 Ų8367.4 Ų67.458%0.5835%0.352SS*.THydrogen-bonded Turntrans-74.6-8174.2650000113.9K163 M164 S170K163-S166 PolarHBondContact O-N 3.38Å; K163-S166 PolarHBondContact O-OG 2.82Å; M164-S166 PolarHBondContact O-N 3Å; S166-S170 VanDerWaalsContact C-OG 3.28Å; S166-S170 WeakPolarHBondContact CB-OG 3.07Å; S166-S170 PolarHBondContact O-OG 3.37Å; S166-S170 VanDerWaalsContact O-OG 3.14Å; S166-S170 PolarHBondContact OG-OG 2.88Å
167G92.2Very high92.7Very high31 Ų3163.8 Ų63.832%0.3232%0.322SS..  trans109.8154.6-178.600000112.8M164 K165 T169 S170 F171M164-G167 WeakPolarHBondContact O-CA 3.36Å; M164-G167 PolarHBondContact O-N 3.05Å; K165-G167 PolarHBondContact O-N 3.4Å; G167-T169 VanDerWaalsContact C-N 3.28Å; G167-T169 PolarHBondContact O-N 3.39Å; G167-S170 PolarHBondContact O-N 3.3Å; G167-S170 PolarHBondContact O-OG 3.17Å; G167-F171 WeakPolarHBondContact O-CB 3.23Å; G167-F171 PolarHBondContact O-N 2.83Å
168Y92.8Very high92.8Very high41 Ų4169.8 Ų69.816%0.16134%0.342CS..Hα-helixtrans-59.2-37.3-177.770.3-87.1000112.9N56 I58 F171 W172 L192N56-Y168 PolarHBondContact ND2-OH 3.47Å; N56-Y168 PolarHBondContact OD1-OH 2.88Å; I58-Y168 HydrophobicContact CD1-CD2 4.49Å; I58-Y168 HydrophobicContact CD1-CE2 3.85Å; Y168-F171 WeakPolarHBondContact O-CB 3.49Å; Y168-F171 PolarHBondContact O-N 3.26Å; Y168-W172 PolarHBondContact O-N 3.49Å; Y168-L192 HydrophobicContact CD2-CD2 3.87Å; Y168-L192 HydrophobicContact CE2-CD2 3.51Å
169T92.8Very high93Very high18 Ų1870.2 Ų70.211%0.1134%0.344CS..Hα-helixtrans-66-48-176.9-55.90000111.4N56 G167 F171 L173N56-T169 PolarHBondContact ND2-OG1 3.3Å; G167-T169 VanDerWaalsContact C-N 3.28Å; G167-T169 PolarHBondContact O-N 3.39Å; T169-F171 VanDerWaalsContact C-N 3.32Å; T169-F171 PolarHBondContact O-N 3.5Å; T169-L173 HydrophobicContact CG2-CD1 3.87Å; T169-L173 WeakPolarHBondContact O-CB 3.35Å; T169-L173 WeakPolarHBondContact O-CD1 3.4Å; T169-L173 WeakPolarHBondContact O-CG 3.5Å; T169-L173 PolarHBondContact O-N 3.4Å
170S92.5Very high93.1Very high48 Ų4867.7 Ų67.734%0.33633%0.334SS..Hα-helixtrans-66.8-35176.347.90000111.8S166 G167 Q174S166-S170 VanDerWaalsContact C-OG 3.28Å; S166-S170 WeakPolarHBondContact CB-OG 3.07Å; S166-S170 PolarHBondContact O-OG 3.37Å; S166-S170 VanDerWaalsContact O-OG 3.14Å; S166-S170 PolarHBondContact OG-OG 2.88Å; G167-S170 PolarHBondContact O-N 3.3Å; G167-S170 PolarHBondContact O-OG 3.17Å; S170-Q174 WeakPolarHBondContact O-CG 3.25Å
171F95Very high93.3Very high0 Ų068.1 Ų68.10%034%0.336CS..Hα-helixtrans-57.6-59.5174.5176-99000112P136 F137 M154 L160 M164 G167 Y168 T169 L173 Q174 I177P136-F171 HydrophobicContact CG-CD1 4.27Å; P136-F171 HydrophobicContact CG-CE1 3.68Å; P136-F171 HydrophobicContact CG-CZ 4.15Å; F137-F171 AromaticContact CE2-CE2 3.82Å; F137-F171 HydrophobicContact CE2-CE2 3.82Å; F137-F171 AromaticContact CE2-CZ 3.82Å; F137-F171 HydrophobicContact CE2-CZ 3.82Å; F137-F171 AromaticContact CZ-CE2 3.96Å; F137-F171 HydrophobicContact CZ-CE2 3.96Å; F137-F171 AromaticContact CZ-CZ 3.98Å; F137-F171 HydrophobicContact CZ-CZ 3.98Å; M154-F171 HydrophobicContact CE-CE1 4.26Å; M154-F171 HydrophobicContact CE-CZ 4.26Å; M154-F171 HydrophobicContact CG-CZ 4.19Å; M154-F171 HydrophobicContact SD-CE1 3.76Å; M154-F171 HydrophobicContact SD-CZ 3.66Å; L160-F171 HydrophobicContact CB-CE2 4.1Å; M164-F171 HydrophobicContact CB-CD2 4.04Å; M164-F171 HydrophobicContact CB-CE2 4.45Å; M164-F171 HydrophobicContact SD-CB 3.51Å; M164-F171 VanDerWaalsContact SD-CB 3.51Å; M164-F171 HydrophobicContact SD-CD1 3.73Å; M164-F171 HydrophobicContact SD-CD2 3.89Å; M164-F171 HydrophobicContact SD-CE1 4.43Å; M164-F171 HydrophobicContact SD-CG 3.42Å; M164-F171 WeakPolarHBondContact SD-CG 3.44Å; G167-F171 WeakPolarHBondContact O-CB 3.23Å; G167-F171 PolarHBondContact O-N 2.83Å; Y168-F171 WeakPolarHBondContact O-CB 3.49Å; Y168-F171 PolarHBondContact O-N 3.26Å; T169-F171 VanDerWaalsContact C-N 3.32Å; T169-F171 PolarHBondContact O-N 3.5Å; F171-L173 VanDerWaalsContact C-N 3.27Å; F171-L173 PolarHBondContact O-N 3.41Å; F171-Q174 WeakPolarHBondContact O-CB 3.5Å; F171-Q174 WeakPolarHBondContact O-CG 3.38Å; F171-Q174 PolarHBondContact O-N 3.12Å; F171-I177 HydrophobicContact CE1-CD1 4.09Å; F171-I177 HydrophobicContact CE1-CG1 4.43Å; F171-I177 HydrophobicContact CE2-CD1 3.84Å; F171-I177 HydrophobicContact CE2-CG1 4.46Å; F171-I177 HydrophobicContact CZ-CD1 3.55Å; F171-I177 HydrophobicContact CZ-CG1 4.28Å; F171-I177 WeakPolarHBondContact O-CG1 3.22Å
172W95.7Very high93.5Very high0 Ų066.1 Ų66.10%033%0.333CS..Hα-helixtrans-64.9-28.9-175.8-71.3115.7000113.6W132 I133 P136 M154 Y168 Q174 I177 L184 W185 A188 L192W132-W172 AromaticContact CE3-CH2 3.79Å; W132-W172 HydrophobicContact CE3-CH2 3.79Å; W132-W172 AromaticContact CE3-CZ2 3.78Å; W132-W172 HydrophobicContact CE3-CZ2 3.78Å; W132-W172 AromaticContact CZ3-CH2 3.5Å; W132-W172 HydrophobicContact CZ3-CH2 3.5Å; W132-W172 VanDerWaalsContact CZ3-CH2 3.5Å; W132-W172 AromaticContact CZ3-CZ2 3.77Å; W132-W172 HydrophobicContact CZ3-CZ2 3.77Å; W132-W172 HydrophobicContact CZ3-CZ3 4.27Å; I133-W172 PolarHBondContact O-NE1 3.17Å; P136-W172 HydrophobicContact CB-CH2 4.3Å; P136-W172 HydrophobicContact CB-CZ2 3.99Å; P136-W172 HydrophobicContact CG-CH2 4.5Å; P136-W172 HydrophobicContact CG-CZ2 3.92Å; M154-W172 HydrophobicContact CE-CH2 3.86Å; M154-W172 HydrophobicContact CE-CZ3 3.74Å; M154-W172 HydrophobicContact SD-CH2 3.93Å; M154-W172 HydrophobicContact SD-CZ3 4.38Å; Y168-W172 PolarHBondContact O-N 3.49Å; W172-Q174 PolarHBondContact O-N 2.82Å; W172-I177 HydrophobicContact CE3-CG2 3.62Å; W172-I177 HydrophobicContact CZ3-CG2 3.88Å; W172-L184 HydrophobicContact CH2-CB 4.09Å; W172-L184 HydrophobicContact CZ3-CB 3.89Å; W172-W185 HydrophobicContact CB-CE3 4.16Å; W172-W185 HydrophobicContact CB-CZ3 3.92Å; W172-W185 WeakPolarHBondContact O-CZ3 3.37Å; W172-A188 HydrophobicContact CB-CB 4.48Å; W172-A188 HydrophobicContact CD2-CB 3.64Å; W172-A188 HydrophobicContact CE3-CB 3.79Å; W172-A188 HydrophobicContact CG-CB 3.94Å; W172-A188 HydrophobicContact CZ3-CB 4.33Å; W172-L192 HydrophobicContact CB-CD1 3.39Å; W172-L192 HydrophobicContact CG-CD1 3.79Å
173L93.2Very high93.7Very high90 Ų9065.3 Ų65.347%0.47132%0.322SS..THydrogen-bonded Turntrans-76.7-2.3-179.6-70173.9000114.1T169 F171 W185 I193T169-L173 HydrophobicContact CG2-CD1 3.87Å; T169-L173 WeakPolarHBondContact O-CB 3.35Å; T169-L173 WeakPolarHBondContact O-CD1 3.4Å; T169-L173 WeakPolarHBondContact O-CG 3.5Å; T169-L173 PolarHBondContact O-N 3.4Å; F171-L173 VanDerWaalsContact C-N 3.27Å; F171-L173 PolarHBondContact O-N 3.41Å; L173-W185 HydrophobicContact CD2-CH2 3.83Å; L173-W185 HydrophobicContact CD2-CZ3 4.38Å; L173-I193 HydrophobicContact CD2-CD1 3.72Å
174Q94.4Very high93.9Very high45 Ų4561.9 Ų61.921%0.2131%0.307CS..  trans-69.3138.3175.9-69.4174.143.200111.7S170 F171 W172 E176 I177 R178S170-Q174 WeakPolarHBondContact O-CG 3.25Å; F171-Q174 WeakPolarHBondContact O-CB 3.5Å; F171-Q174 WeakPolarHBondContact O-CG 3.38Å; F171-Q174 PolarHBondContact O-N 3.12Å; W172-Q174 PolarHBondContact O-N 2.82Å; Q174-E176 VanDerWaalsContact C-N 3.25Å; Q174-E176 PolarHBondContact O-N 3.03Å; Q174-I177 HydrophobicContact CB-CG1 4.03Å; Q174-I177 PolarHBondContact O-N 3.07Å; Q174-R178 PolarHBondContact O-N 3.41Å
175Q94.5Very high94.1Very high145 Ų14561.8 Ų61.868%0.67831%0.305SS*.Hα-helixtrans-59.5-37.8178.3-178.6173.8-8.300112.5R178 Q179Q175-R178 PolarHBondContact O-N 3.01Å; Q175-Q179 WeakPolarHBondContact O-CG 3.06Å; Q175-Q179 PolarHBondContact O-N 3.48Å
176E95.2Very high94.4Very high62 Ų6256.9 Ų56.929%0.2929%0.287SS..Hα-helixtrans-59.9-44.7177.6-177.7179.1-165.100111.9K163 Q174 R178 Q179 L180K163-E176 IonicContact NZ-OE2 2.88Å; K163-E176 PolarHBondContact NZ-OE2 3.35Å; Q174-E176 VanDerWaalsContact C-N 3.25Å; Q174-E176 PolarHBondContact O-N 3.03Å; E176-R178 VanDerWaalsContact C-N 3.3Å; E176-R178 PolarHBondContact O-N 3.34Å; E176-Q179 PolarHBondContact O-N 3.33Å; E176-L180 HydrophobicContact CG-CD1 3.61Å; E176-L180 HydrophobicContact CG-CG 4.2Å; E176-L180 PolarHBondContact O-N 2.98Å
177I95.3Very high94.8Very high0 Ų053.5 Ų53.50%026%0.264CS..Hα-helixtrans-61.1-41.5178.4-60.9-60.4000111.2M154 L160 F171 W172 Q174 Q179 Y181M154-I177 HydrophobicContact CE-CD1 4.29Å; M154-I177 HydrophobicContact CE-CG2 4.16Å; L160-I177 HydrophobicContact CD1-CD1 3.79Å; L160-I177 HydrophobicContact CD2-CD1 3.87Å; L160-I177 HydrophobicContact CG-CD1 4.4Å; F171-I177 HydrophobicContact CE1-CD1 4.09Å; F171-I177 HydrophobicContact CE1-CG1 4.43Å; F171-I177 HydrophobicContact CE2-CD1 3.84Å; F171-I177 HydrophobicContact CE2-CG1 4.46Å; F171-I177 HydrophobicContact CZ-CD1 3.55Å; F171-I177 HydrophobicContact CZ-CG1 4.28Å; F171-I177 WeakPolarHBondContact O-CG1 3.22Å; W172-I177 HydrophobicContact CE3-CG2 3.62Å; W172-I177 HydrophobicContact CZ3-CG2 3.88Å; Q174-I177 HydrophobicContact CB-CG1 4.03Å; Q174-I177 PolarHBondContact O-N 3.07Å; I177-Q179 VanDerWaalsContact C-N 3.26Å; I177-Q179 PolarHBondContact O-N 3.36Å; I177-Y181 HydrophobicContact CD1-CD2 4.01Å; I177-Y181 HydrophobicContact CD1-CE2 4.07Å; I177-Y181 HydrophobicContact CG2-CD2 4.37Å; I177-Y181 CarbonylContact O-C 3.36Å; I177-Y181 WeakPolarHBondContact O-CA 3.46Å; I177-Y181 PolarHBondContact O-N 2.72Å
178R95.2Very high94.9Very high164 Ų16452 Ų5262%0.61925%0.248SC*.Hα-helixtrans-63.6-30.8176.6173173.7-179.9-173.3-1.3113.1Q174 Q175 E176 W185Q174-R178 PolarHBondContact O-N 3.41Å; Q175-R178 PolarHBondContact O-N 3.01Å; E176-R178 VanDerWaalsContact C-N 3.3Å; E176-R178 PolarHBondContact O-N 3.34Å; R178-W185 HydrophobicContact CB-CG 4.14Å; R178-W185 HydrophobicContact CG-CG 4.34Å
179Q95.7Very high95Very high128 Ų12853.7 Ų53.760%0.59826%0.256SS*.Hα-helixtrans-85.1-44.6-177.7-72.4176.1-16.900112Q175 E176 I177Q175-Q179 WeakPolarHBondContact O-CG 3.06Å; Q175-Q179 PolarHBondContact O-N 3.48Å; E176-Q179 PolarHBondContact O-N 3.33Å; I177-Q179 VanDerWaalsContact C-N 3.26Å; I177-Q179 PolarHBondContact O-N 3.36Å
180L95.9Very high95.1Very high84 Ų8459.3 Ų59.344%0.4428%0.279SS..Hα-helixtrans-80.7-36.3-176.7-63.8-179.9000112.7E176 P182E176-L180 HydrophobicContact CG-CD1 3.61Å; E176-L180 HydrophobicContact CG-CG 4.2Å; E176-L180 PolarHBondContact O-N 2.98Å; L180-P182 VanDerWaalsContact O-CD 3.3Å; L180-P182 WeakPolarHBondContact O-CD 3.34Å
181Y96Very high95.2Very high10 Ų1058.1 Ų58.14%0.03927%0.268CS..  trans-126.360.2-173.2-44.6-72.7000111.8E150 E153 M154 L160 I177 R183 L184 W185E150-Y181 HydrophobicContact CB-CD1 4.05Å; E150-Y181 HydrophobicContact CG-CD1 4.35Å; E150-Y181 WeakPolarHBondContact O-CD1 3.14Å; E150-Y181 VanDerWaalsContact OE2-CA 3.25Å; E150-Y181 WeakPolarHBondContact OE2-CA 3.44Å; E153-Y181 HydrophobicContact CB-CE1 3.88Å; M154-Y181 HydrophobicContact CB-CD1 4.13Å; M154-Y181 HydrophobicContact CB-CD2 4.49Å; M154-Y181 HydrophobicContact CB-CE1 3.81Å; M154-Y181 HydrophobicContact CB-CE2 4.2Å; M154-Y181 HydrophobicContact CB-CG 4.45Å; M154-Y181 HydrophobicContact CE-CD1 4.19Å; M154-Y181 HydrophobicContact CE-CD2 3.28Å; M154-Y181 HydrophobicContact CE-CE2 3.92Å; M154-Y181 HydrophobicContact CE-CG 3.43Å; M154-Y181 VanDerWaalsContact CE-CG 3.43Å; M154-Y181 HydrophobicContact CG-CE2 4.29Å; L160-Y181 HydrophobicContact CD1-CE2 3.48Å; L160-Y181 VanDerWaalsContact CD1-CE2 3.48Å; I177-Y181 HydrophobicContact CD1-CD2 4.01Å; I177-Y181 HydrophobicContact CD1-CE2 4.07Å; I177-Y181 HydrophobicContact CG2-CD2 4.37Å; I177-Y181 CarbonylContact O-C 3.36Å; I177-Y181 WeakPolarHBondContact O-CA 3.46Å; I177-Y181 PolarHBondContact O-N 2.72Å; Y181-R183 VanDerWaalsContact C-N 3.33Å; Y181-R183 PolarHBondContact O-N 3.17Å; Y181-L184 PolarHBondContact O-N 3.18Å; Y181-W185 WeakPolarHBondContact O-CB 3.31Å; Y181-W185 PolarHBondContact O-N 2.92Å
182P96.5Very high95.2Very high54 Ų5458.8 Ų58.835%0.35127%0.272SS..Hα-helixtrans-64-33.3-172.526.6-35.5000113.3E150 L180 N186E150-P182 WeakPolarHBondContact OE1-CD 3.09Å; L180-P182 VanDerWaalsContact O-CD 3.3Å; L180-P182 WeakPolarHBondContact O-CD 3.34Å; P182-N186 VanDerWaalsContact O-CB 3.29Å; P182-N186 WeakPolarHBondContact O-CB 3.25Å; P182-N186 PolarHBondContact O-N 2.76Å; P182-N186 PolarHBondContact O-ND2 2.84Å
183R95.7Very high95Very high96 Ų9663 Ų6336%0.36229%0.293SS..Hα-helixtrans-69.4-46.4179.3-63.2177.7-82.7-176.7-10.7110.2A146 Y147 E149 E150 Y181 N186 V187A146-R183 VanDerWaalsContact O-CD 3.32Å; A146-R183 WeakPolarHBondContact O-CD 3.48Å; A146-R183 PolarHBondContact O-NE 3.28Å; A146-R183 PolarHBondContact O-NH1 3.44Å; Y147-R183 HydrophobicContact CD1-CB 4.02Å; Y147-R183 HydrophobicContact CE1-CB 4.26Å; E149-R183 IonicContact OE2-NH1 2.93Å; E149-R183 IonicContact OE2-NH2 2.75Å; E149-R183 PolarHBondContact OE2-NH2 3.28Å; E150-R183 VanDerWaalsContact OE1-CB 3.28Å; E150-R183 WeakPolarHBondContact OE1-CB 3.41Å; E150-R183 WeakPolarHBondContact OE1-CG 3.49Å; E150-R183 IonicContact OE1-CZ 3.73Å; E150-R183 PolarHBondContact OE1-N 3.33Å; E150-R183 IonicContact OE1-NE 3.76Å; E150-R183 PolarHBondContact OE1-NE 3.34Å; E150-R183 IonicContact OE1-NH2 3.44Å; E150-R183 WeakPolarHBondContact OE2-CA 3.11Å; E150-R183 WeakPolarHBondContact OE2-CB 3.43Å; E150-R183 PolarHBondContact OE2-N 3.31Å; Y181-R183 VanDerWaalsContact C-N 3.33Å; Y181-R183 PolarHBondContact O-N 3.17Å; R183-N186 PolarHBondContact O-N 3.28Å; R183-V187 PolarHBondContact O-N 3.16Å
184L95.3Very high94.9Very high0 Ų061.2 Ų61.20%029%0.287CS..Hα-helixtrans-61.6-48.3175.6-64.7-178.6000111.7W132 Y147 E150 L151 M154 W172 Y181 N186 V187 A188W132-L184 HydrophobicContact CE3-CD2 4.17Å; W132-L184 HydrophobicContact CH2-CB 4.1Å; W132-L184 HydrophobicContact CH2-CD2 3.63Å; W132-L184 HydrophobicContact CH2-CG 4.49Å; W132-L184 HydrophobicContact CZ2-CD2 4.02Å; W132-L184 HydrophobicContact CZ3-CB 3.94Å; W132-L184 HydrophobicContact CZ3-CD2 3.75Å; W132-L184 HydrophobicContact CZ3-CG 4.37Å; Y147-L184 HydrophobicContact CD1-CD2 4.46Å; Y147-L184 HydrophobicContact CG-CD2 4.29Å; E150-L184 HydrophobicContact CB-CD1 3.8Å; E150-L184 HydrophobicContact CB-CG 3.84Å; E150-L184 PolarHBondContact OE2-N 2.83Å; L151-L184 HydrophobicContact CB-CD1 4.19Å; L151-L184 HydrophobicContact CB-CD2 4.43Å; L151-L184 HydrophobicContact CD1-CD1 4.07Å; M154-L184 HydrophobicContact CE-CD1 3.7Å; M154-L184 HydrophobicContact SD-CD1 4.25Å; W172-L184 HydrophobicContact CH2-CB 4.09Å; W172-L184 HydrophobicContact CZ3-CB 3.89Å; Y181-L184 PolarHBondContact O-N 3.18Å; L184-N186 VanDerWaalsContact C-N 3.26Å; L184-N186 PolarHBondContact O-N 3.47Å; L184-V187 PolarHBondContact O-N 3.49Å; L184-V187 VanDerWaalsContact O-N 3.08Å; L184-A188 PolarHBondContact O-N 3.23Å
185W96.2Very high94.6Very high24 Ų2466.1 Ų66.19%0.09131%0.308CS..Hα-helixtrans-57.6-39.4177.2168.2-116.6000112.2W172 L173 R178 Y181 V187 A188 K189 L192 I193W172-W185 HydrophobicContact CB-CE3 4.16Å; W172-W185 HydrophobicContact CB-CZ3 3.92Å; W172-W185 WeakPolarHBondContact O-CZ3 3.37Å; L173-W185 HydrophobicContact CD2-CH2 3.83Å; L173-W185 HydrophobicContact CD2-CZ3 4.38Å; R178-W185 HydrophobicContact CB-CG 4.14Å; R178-W185 HydrophobicContact CG-CG 4.34Å; Y181-W185 WeakPolarHBondContact O-CB 3.31Å; Y181-W185 PolarHBondContact O-N 2.92Å; W185-V187 PolarHBondContact O-N 3.39Å; W185-A188 HydrophobicContact CE3-CB 4.47Å; W185-A188 PolarHBondContact O-N 2.99Å; W185-K189 HydrophobicContact CD2-CB 4.06Å; W185-K189 HydrophobicContact CE3-CB 4.13Å; W185-K189 HydrophobicContact CH2-CB 3.6Å; W185-K189 HydrophobicContact CZ2-CB 3.53Å; W185-K189 HydrophobicContact CZ2-CD 4.41Å; W185-K189 HydrophobicContact CZ3-CB 3.9Å; W185-K189 VanDerWaalsContact O-CB 3.3Å; W185-K189 WeakPolarHBondContact O-CB 3.38Å; W185-K189 WeakPolarHBondContact O-CG 3.35Å; W185-K189 PolarHBondContact O-N 3.35Å; W185-L192 HydrophobicContact CZ3-CD1 4.44Å; W185-I193 HydrophobicContact CH2-CD1 4.11Å; W185-I193 HydrophobicContact CH2-CG1 4.24Å
186N95.4Very high94.4Very high71 Ų7161.1 Ų61.138%0.3829%0.288SS..Hα-helixtrans-62.4-25.9179.2-81.6-32.2000113.9P182 R183 L184 K189 K190P182-N186 VanDerWaalsContact O-CB 3.29Å; P182-N186 WeakPolarHBondContact O-CB 3.25Å; P182-N186 PolarHBondContact O-N 2.76Å; P182-N186 PolarHBondContact O-ND2 2.84Å; R183-N186 PolarHBondContact O-N 3.28Å; L184-N186 VanDerWaalsContact C-N 3.26Å; L184-N186 PolarHBondContact O-N 3.47Å; N186-K189 WeakPolarHBondContact OD1-CE 3.38Å; N186-K189 PolarHBondContact OD1-NZ 3.44Å; N186-K190 WeakPolarHBondContact O-CE 3.33Å
187V94.7Very high94.3Very high13 Ų1359.7 Ų59.78%0.07929%0.285CS..Hα-helixtrans-83.9-52.5172.8179.60000109.8L130 W132 I133 Y147 R183 L184 W185 K189 K190 F191L130-V187 HydrophobicContact CD1-CG1 4.04Å; W132-V187 HydrophobicContact CH2-CB 3.78Å; W132-V187 HydrophobicContact CH2-CG1 4.02Å; W132-V187 HydrophobicContact CH2-CG2 4.4Å; W132-V187 HydrophobicContact CZ2-CB 4.07Å; W132-V187 HydrophobicContact CZ2-CG1 3.94Å; W132-V187 HydrophobicContact CZ2-CG2 4.44Å; I133-V187 HydrophobicContact CD1-CG1 4.06Å; Y147-V187 HydrophobicContact CE1-CG2 3.85Å; Y147-V187 HydrophobicContact CE2-CG2 4.23Å; R183-V187 PolarHBondContact O-N 3.16Å; L184-V187 PolarHBondContact O-N 3.49Å; L184-V187 VanDerWaalsContact O-N 3.08Å; W185-V187 PolarHBondContact O-N 3.39Å; V187-K189 VanDerWaalsContact C-N 3.31Å; V187-K189 PolarHBondContact O-N 3.13Å; V187-K190 WeakPolarHBondContact O-CB 3.47Å; V187-K190 PolarHBondContact O-N 3.35Å; V187-K190 VanDerWaalsContact O-N 3.09Å; V187-F191 HydrophobicContact CG1-CE2 4.2Å; V187-F191 WeakPolarHBondContact O-CD2 3.25Å
188A95.2Very high94Very high0 Ų062.9 Ų62.90%031%0.307CS..Hα-helixtrans-55.8-43.7-177.800000112.4I133 W172 L184 W185 K190 F191 L192I133-A188 HydrophobicContact CG2-CB 4.34Å; W172-A188 HydrophobicContact CB-CB 4.48Å; W172-A188 HydrophobicContact CD2-CB 3.64Å; W172-A188 HydrophobicContact CE3-CB 3.79Å; W172-A188 HydrophobicContact CG-CB 3.94Å; W172-A188 HydrophobicContact CZ3-CB 4.33Å; L184-A188 PolarHBondContact O-N 3.23Å; W185-A188 HydrophobicContact CE3-CB 4.47Å; W185-A188 PolarHBondContact O-N 2.99Å; A188-K190 PolarHBondContact O-N 3.12Å; A188-K190 VanDerWaalsContact O-N 3.08Å; A188-F191 PolarHBondContact O-N 2.86Å; A188-L192 HydrophobicContact CB-CD1 4.36Å; A188-L192 WeakPolarHBondContact O-CG 2.95Å; A188-L192 PolarHBondContact O-N 3.42Å
189K95.4Very high93.8Very high76 Ų7657.9 Ų57.933%0.3329%0.289SS..Hα-helixtrans-57.8-28.5-179.277.7-175.1-173.9-174.80113.5W185 N186 V187 F191 L192 I193W185-K189 HydrophobicContact CD2-CB 4.06Å; W185-K189 HydrophobicContact CE3-CB 4.13Å; W185-K189 HydrophobicContact CH2-CB 3.6Å; W185-K189 HydrophobicContact CZ2-CB 3.53Å; W185-K189 HydrophobicContact CZ2-CD 4.41Å; W185-K189 HydrophobicContact CZ3-CB 3.9Å; W185-K189 VanDerWaalsContact O-CB 3.3Å; W185-K189 WeakPolarHBondContact O-CB 3.38Å; W185-K189 WeakPolarHBondContact O-CG 3.35Å; W185-K189 PolarHBondContact O-N 3.35Å; N186-K189 WeakPolarHBondContact OD1-CE 3.38Å; N186-K189 PolarHBondContact OD1-NZ 3.44Å; V187-K189 VanDerWaalsContact C-N 3.31Å; V187-K189 PolarHBondContact O-N 3.13Å; K189-F191 PolarHBondContact O-N 3.24Å; K189-L192 PolarHBondContact O-N 2.89Å; K189-I193 HydrophobicContact CB-CG1 3.97Å; K189-I193 WeakPolarHBondContact O-CB 3.42Å; K189-I193 WeakPolarHBondContact O-CG1 3.48Å; K189-I193 PolarHBondContact O-N 2.86Å
190K95.2Very high93.3Very high136 Ų13653.7 Ų53.759%0.59127%0.27SS*.Hα-helixtrans-64.9-24.2178.3-64.2175.6-178.5176.50112L57 N186 V187 A188 P194L57-K190 WeakPolarHBondContact CD1-O 3.49Å; N186-K190 WeakPolarHBondContact O-CE 3.33Å; V187-K190 WeakPolarHBondContact O-CB 3.47Å; V187-K190 PolarHBondContact O-N 3.35Å; V187-K190 VanDerWaalsContact O-N 3.09Å; A188-K190 PolarHBondContact O-N 3.12Å; A188-K190 VanDerWaalsContact O-N 3.08Å; K190-P194 WeakPolarHBondContact O-CD 3.2Å; K190-P194 VanDerWaalsContact O-CG 3.23Å; K190-P194 WeakPolarHBondContact O-CG 3.41Å
191F94.7Very high92.9Very high22 Ų2252.1 Ų52.110%0.09627%0.269CS..Hα-helixtrans-95.5-30.1177.1-60.6-85.3000112.7N56 L57 I58 M127 T128 I129 I133 V187 A188 K189N56-F191 WeakPolarHBondContact CB-O 3.35Å; L57-F191 PolarHBondContact N-O 3.16Å; I58-F191 HydrophobicContact CD1-CB 3.95Å; I58-F191 HydrophobicContact CG1-CB 4.02Å; I58-F191 HydrophobicContact CG1-CD1 4.42Å; I58-F191 HydrophobicContact CG1-CG 4.48Å; M127-F191 HydrophobicContact CE-CD1 4.24Å; M127-F191 HydrophobicContact CE-CE1 4.45Å; M127-F191 HydrophobicContact CG-CD1 4.26Å; M127-F191 HydrophobicContact CG-CE1 3.64Å; M127-F191 HydrophobicContact SD-CD1 3.58Å; M127-F191 VanDerWaalsContact SD-CD1 3.58Å; M127-F191 HydrophobicContact SD-CE1 3.59Å; M127-F191 VanDerWaalsContact SD-CE1 3.59Å; T128-F191 WeakPolarHBondContact O-CZ 3.43Å; I129-F191 HydrophobicContact CG1-CD1 4.37Å; I129-F191 HydrophobicContact CG1-CE1 4.2Å; I133-F191 HydrophobicContact CD1-CD2 3.63Å; I133-F191 HydrophobicContact CD1-CE2 3.49Å; I133-F191 VanDerWaalsContact CD1-CE2 3.49Å; I133-F191 HydrophobicContact CD1-CZ 4.33Å; V187-F191 HydrophobicContact CG1-CE2 4.2Å; V187-F191 WeakPolarHBondContact O-CD2 3.25Å; A188-F191 PolarHBondContact O-N 2.86Å; K189-F191 PolarHBondContact O-N 3.24Å
192L93.6Very high92.6Very high15 Ų1556.8 Ų56.88%0.07929%0.291CS..Hα-helixtrans-94.3-32.6-168.9-58.7178.6000114.7N56 I58 Y168 W172 W185 A188 K189N56-L192 HydrophobicContact CB-CD2 4.46Å; I58-L192 HydrophobicContact CD1-CD2 4.27Å; Y168-L192 HydrophobicContact CD2-CD2 3.87Å; Y168-L192 HydrophobicContact CE2-CD2 3.51Å; W172-L192 HydrophobicContact CB-CD1 3.39Å; W172-L192 HydrophobicContact CG-CD1 3.79Å; W185-L192 HydrophobicContact CZ3-CD1 4.44Å; A188-L192 HydrophobicContact CB-CD1 4.36Å; A188-L192 WeakPolarHBondContact O-CG 2.95Å; A188-L192 PolarHBondContact O-N 3.42Å; K189-L192 PolarHBondContact O-N 2.89Å
193I91.7Very high92.2Very high89 Ų8957.3 Ų57.346%0.45629%0.286SS..SBendtrans-87.1-37.2-173.8-59.7-60.2000114.1L173 W185 K189L173-I193 HydrophobicContact CD2-CD1 3.72Å; W185-I193 HydrophobicContact CH2-CD1 4.11Å; W185-I193 HydrophobicContact CH2-CG1 4.24Å; K189-I193 HydrophobicContact CB-CG1 3.97Å; K189-I193 WeakPolarHBondContact O-CB 3.42Å; K189-I193 WeakPolarHBondContact O-CG1 3.48Å; K189-I193 PolarHBondContact O-N 2.86Å
194P91.3Very high91.8Very high52 Ų5253.4 Ų53.434%0.33828%0.276SS..SBendtrans-58.9150-179.2-2737000112.7L57 K190 P196L57-P194 HydrophobicContact CD1-CB 4.06Å; L57-P194 HydrophobicContact CD1-CG 3.93Å; L57-P194 HydrophobicContact CG-CB 4.41Å; K190-P194 WeakPolarHBondContact O-CD 3.2Å; K190-P194 VanDerWaalsContact O-CG 3.23Å; K190-P194 WeakPolarHBondContact O-CG 3.41Å; P194-P196 WeakPolarHBondContact O-CD 3.11Å
195F88.6Confident91.4Very high148 Ų14860.4 Ų60.465%0.64931%0.307SS*.  trans-92.6101.6172.2-53.6-48.5000109S197 L200F195-S197 PolarHBondContact O-N 3.27Å; F195-L200 HydrophobicContact CD1-CB 4.38Å; F195-L200 HydrophobicContact CD1-CD1 3.24Å; F195-L200 HydrophobicContact CD1-CG 4.4Å; F195-L200 HydrophobicContact CE1-CD1 3.44Å; F195-L200 VanDerWaalsContact CE1-CD1 3.44Å; F195-L200 HydrophobicContact CG-CB 4.49Å; F195-L200 HydrophobicContact CG-CD1 4.09Å; F195-L200 HydrophobicContact CZ-CD1 4.43Å
196P90.7Very high91Very high40 Ų4062.6 Ų62.626%0.2633%0.326SS..  trans-80.8-4-173.935.8-38.7000112.9L55 L57 T60 P194L55-P196 HydrophobicContact CB-CG 4.47Å; L55-P196 HydrophobicContact CD2-CG 3.65Å; L55-P196 HydrophobicContact CG-CG 3.63Å; L57-P196 HydrophobicContact CD2-CB 3.82Å; L57-P196 HydrophobicContact CG-CB 4.4Å; T60-P196 HydrophobicContact CG2-CB 4.2Å; T60-P196 VanDerWaalsContact OG1-CB 3.31Å; T60-P196 WeakPolarHBondContact OG1-CB 3.48Å; T60-P196 WeakPolarHBondContact OG1-CG 3.45Å; P194-P196 WeakPolarHBondContact O-CD 3.11Å
197S91.4Very high90.5Very high31 Ų3159.8 Ų59.822%0.21731%0.312CS..SBendtrans-132.9158.8172.8730000110.8L50 F195 Y199L50-S197 WeakPolarHBondContact O-CB 3.5Å; L50-S197 PolarHBondContact O-OG 3.28Å; F195-S197 PolarHBondContact O-N 3.27Å; S197-Y199 PolarHBondContact O-N 3.12Å; S197-Y199 WeakPolarHBondContact OG-CB 3.48Å
198S90.1Very high90Very high68 Ų6860.9 Ų60.948%0.47632%0.319SS..THydrogen-bonded Turntrans-67.9-10.5175.856.10000113L200 A201 E202S198-L200 VanDerWaalsContact C-N 3.34Å; S198-L200 PolarHBondContact O-N 3.43Å; S198-A201 CarbonylContact O-C 3.51Å; S198-A201 WeakPolarHBondContact O-CA 3.28Å; S198-A201 WeakPolarHBondContact O-CB 3.41Å; S198-A201 PolarHBondContact O-N 3Å; S198-E202 WeakPolarHBondContact CB-OE1 3.23Å; S198-E202 WeakPolarHBondContact O-CB 3.28Å; S198-E202 WeakPolarHBondContact O-CG 3.41Å; S198-E202 PolarHBondContact O-N 3.15Å; S198-E202 PolarHBondContact OG-OE1 3.39Å
199Y90.1Very high89.5Confident59 Ų5965.3 Ų65.323%0.23135%0.346CS..Hα-helixtrans-50.2-48.6-172.7175.8-99.1000113.8Q51 G52 D53 S197 E202 R203Q51-Y199 HydrophobicContact CB-CD2 3.68Å; Q51-Y199 HydrophobicContact CB-CE2 4.01Å; Q51-Y199 HydrophobicContact CB-CG 4.1Å; Q51-Y199 HydrophobicContact CG-CD2 3.73Å; Q51-Y199 HydrophobicContact CG-CE2 4.38Å; Q51-Y199 HydrophobicContact CG-CG 4.29Å; G52-Y199 VanDerWaalsContact CA-CE1 3.43Å; G52-Y199 VanDerWaalsContact N-CE1 3.34Å; D53-Y199 WeakPolarHBondContact OD1-CE1 3.41Å; S197-Y199 PolarHBondContact O-N 3.12Å; S197-Y199 WeakPolarHBondContact OG-CB 3.48Å; Y199-E202 PolarHBondContact O-N 2.89Å; Y199-R203 HydrophobicContact CE1-CG 4.17Å; Y199-R203 HydrophobicContact CE2-CG 4.22Å; Y199-R203 WeakPolarHBondContact O-CB 3.37Å; Y199-R203 PolarHBondContact O-N 3.21Å; Y199-R203 WeakPolarHBondContact OH-CD 3.41Å
200L86.6Confident88.8Confident40 Ų4066.2 Ų66.221%0.20936%0.355CS..Hα-helixtrans-69.1-35.8-179-73.1175.6000112.2F195 S198 G204F195-L200 HydrophobicContact CD1-CB 4.38Å; F195-L200 HydrophobicContact CD1-CD1 3.24Å; F195-L200 HydrophobicContact CD1-CG 4.4Å; F195-L200 HydrophobicContact CE1-CD1 3.44Å; F195-L200 VanDerWaalsContact CE1-CD1 3.44Å; F195-L200 HydrophobicContact CG-CB 4.49Å; F195-L200 HydrophobicContact CG-CD1 4.09Å; F195-L200 HydrophobicContact CZ-CD1 4.43Å; S198-L200 VanDerWaalsContact C-N 3.34Å; S198-L200 PolarHBondContact O-N 3.43Å; L200-G204 PolarHBondContact O-N 3Å
201A87.4Confident88Confident51 Ų5160.1 Ų60.142%0.42133%0.328SS..Hα-helixtrans-68-46.817400000111.4S198 G204 F205S198-A201 CarbonylContact O-C 3.51Å; S198-A201 WeakPolarHBondContact O-CA 3.28Å; S198-A201 WeakPolarHBondContact O-CB 3.41Å; S198-A201 PolarHBondContact O-N 3Å; A201-G204 CarbonylContact O-C 3.6Å; A201-G204 WeakPolarHBondContact O-CA 3.17Å; A201-G204 PolarHBondContact O-N 3.47Å; A201-G204 VanDerWaalsContact O-N 3.07Å; A201-F205 HydrophobicContact CB-CE2 4.37Å; A201-F205 WeakPolarHBondContact O-CD2 3.41Å; A201-F205 PolarHBondContact O-N 3.43Å
202E89.6Confident87.1Confident107 Ų10764 Ų6450%0.535%0.35SS..Hα-helixtrans-60.7-45.4177.6-74.7173-162.700111.8S198 Y199 G204 F205 S206S198-E202 WeakPolarHBondContact CB-OE1 3.23Å; S198-E202 WeakPolarHBondContact O-CB 3.28Å; S198-E202 WeakPolarHBondContact O-CG 3.41Å; S198-E202 PolarHBondContact O-N 3.15Å; S198-E202 PolarHBondContact OG-OE1 3.39Å; Y199-E202 PolarHBondContact O-N 2.89Å; E202-G204 VanDerWaalsContact C-N 3.28Å; E202-G204 PolarHBondContact O-N 3.12Å; E202-F205 PolarHBondContact O-N 2.97Å; E202-S206 PolarHBondContact O-N 3.43Å; E202-S206 PolarHBondContact O-OG 2.81Å; E202-S206 VanDerWaalsContact O-OG 3.12Å
203R87.8Confident86.4Confident65 Ų6565.3 Ų65.325%0.24537%0.366CS..Hα-helixtrans-58-42.2171-82.8-155.6-51176.811.6112.1D53 Y199 F205 S206 A207 L231D53-R203 VanDerWaalsContact CG-CZ 3.45Å; D53-R203 IonicContact OD1-CZ 3.29Å; D53-R203 IonicContact OD1-NE 2.67Å; D53-R203 IonicContact OD1-NH1 2.91Å; D53-R203 PolarHBondContact OD1-NH1 3.08Å; D53-R203 IonicContact OD1-NH2 2.8Å; D53-R203 PolarHBondContact OD1-NH2 3Å; D53-R203 IonicContact OD2-CZ 3.83Å; D53-R203 VanDerWaalsContact OD2-CZ 3.29Å; D53-R203 IonicContact OD2-NH1 2.76Å; D53-R203 PolarHBondContact OD2-NH1 3.2Å; D53-R203 IonicContact OD2-NH2 3.29Å; D53-R203 PolarHBondContact OD2-NH2 3.28Å; Y199-R203 HydrophobicContact CE1-CG 4.17Å; Y199-R203 HydrophobicContact CE2-CG 4.22Å; Y199-R203 WeakPolarHBondContact O-CB 3.37Å; Y199-R203 PolarHBondContact O-N 3.21Å; Y199-R203 WeakPolarHBondContact OH-CD 3.41Å; R203-F205 VanDerWaalsContact C-N 3.35Å; R203-F205 PolarHBondContact O-N 3.28Å; R203-S206 PolarHBondContact O-N 3.31Å; R203-A207 WeakPolarHBondContact O-CB 3.49Å; R203-A207 PolarHBondContact O-N 3.38Å; R203-L231 HydrophobicContact CB-CD2 4.32Å
204G86.6Confident85.1Confident14 Ų1471.2 Ų71.214%0.14439%0.389CS..Hα-helixtrans-53.4-51.5173.100000111.9L200 A201 E202 A207 V208L200-G204 PolarHBondContact O-N 3Å; A201-G204 CarbonylContact O-C 3.6Å; A201-G204 WeakPolarHBondContact O-CA 3.17Å; A201-G204 PolarHBondContact O-N 3.47Å; A201-G204 VanDerWaalsContact O-N 3.07Å; E202-G204 VanDerWaalsContact C-N 3.28Å; E202-G204 PolarHBondContact O-N 3.12Å; G204-A207 PolarHBondContact O-N 3.46Å; G204-V208 WeakPolarHBondContact O-CG2 3.22Å; G204-V208 PolarHBondContact O-N 2.95Å
205F87.6Confident83.7Confident148 Ų14874.3 Ų74.365%0.64940%0.397SS*.Hα-helixtrans-64.5-44.6177.9-69.5-60.9000112.6A201 E202 R203 A207 V208 T209A201-F205 HydrophobicContact CB-CE2 4.37Å; A201-F205 WeakPolarHBondContact O-CD2 3.41Å; A201-F205 PolarHBondContact O-N 3.43Å; E202-F205 PolarHBondContact O-N 2.97Å; R203-F205 VanDerWaalsContact C-N 3.35Å; R203-F205 PolarHBondContact O-N 3.28Å; F205-A207 VanDerWaalsContact C-N 3.33Å; F205-A207 PolarHBondContact O-N 2.94Å; F205-V208 PolarHBondContact O-N 3.22Å; F205-V208 VanDerWaalsContact O-N 3.16Å; F205-T209 PolarHBondContact O-N 3.34Å; F205-T209 PolarHBondContact O-OG1 3.06Å; F205-T209 VanDerWaalsContact O-OG1 3.12Å
206S87.2Confident82.2Confident70 Ų7077 Ų7749%0.4940%0.403SS..Hα-helixtrans-58-44.9175.6-610000111.7E202 R203 V208 T209 D210E202-S206 PolarHBondContact O-N 3.43Å; E202-S206 PolarHBondContact O-OG 2.81Å; E202-S206 VanDerWaalsContact O-OG 3.12Å; R203-S206 PolarHBondContact O-N 3.31Å; S206-V208 VanDerWaalsContact C-N 3.33Å; S206-V208 PolarHBondContact O-N 2.76Å; S206-T209 PolarHBondContact O-N 3.43Å; S206-D210 WeakPolarHBondContact O-CB 3.22Å; S206-D210 PolarHBondContact O-N 3.41Å
207A85.4Confident80.6Confident11 Ų1182.5 Ų82.59%0.09143%0.43CS..Hα-helixtrans-61.4-41.1176.600000111.9R203 G204 F205 D210 L211 L227 L230 L231R203-A207 WeakPolarHBondContact O-CB 3.49Å; R203-A207 PolarHBondContact O-N 3.38Å; G204-A207 PolarHBondContact O-N 3.46Å; F205-A207 VanDerWaalsContact C-N 3.33Å; F205-A207 PolarHBondContact O-N 2.94Å; A207-D210 PolarHBondContact O-N 3.09Å; A207-L211 WeakPolarHBondContact O-CB 3.22Å; A207-L211 VanDerWaalsContact O-CG 3.22Å; A207-L211 WeakPolarHBondContact O-CG 3.42Å; A207-L211 PolarHBondContact O-N 2.9Å; A207-L227 HydrophobicContact CB-CD1 3.81Å; A207-L230 HydrophobicContact CB-CB 4.25Å; A207-L230 HydrophobicContact CB-CD1 4.22Å; A207-L231 HydrophobicContact CB-CD2 3.88Å; A207-L231 HydrophobicContact CB-CG 4.47Å
208V84Confident79.2Confident36 Ų3690.7 Ų90.722%0.21846%0.456CS..Hα-helixtrans-64.3-45.1174.9170.80000111.5G204 F205 S206 D210 L211 L212 I221 L227G204-V208 WeakPolarHBondContact O-CG2 3.22Å; G204-V208 PolarHBondContact O-N 2.95Å; F205-V208 PolarHBondContact O-N 3.22Å; F205-V208 VanDerWaalsContact O-N 3.16Å; S206-V208 VanDerWaalsContact C-N 3.33Å; S206-V208 PolarHBondContact O-N 2.76Å; V208-D210 VanDerWaalsContact C-N 3.31Å; V208-D210 PolarHBondContact O-N 3.38Å; V208-L211 PolarHBondContact O-N 3.19Å; V208-L212 HydrophobicContact CG1-CD1 3.74Å; V208-L212 HydrophobicContact CG1-CG 4.29Å; V208-L212 WeakPolarHBondContact O-CB 3.47Å; V208-L212 WeakPolarHBondContact O-CG 3.23Å; V208-L212 PolarHBondContact O-N 3.04Å; V208-I221 HydrophobicContact CG1-CD1 4.23Å; V208-I221 HydrophobicContact CG2-CG2 4.29Å; V208-L227 HydrophobicContact CG2-CD1 3.8Å; V208-L227 HydrophobicContact CG2-CD2 4.1Å
209T84.1Confident77.7Confident94 Ų9491 Ų9158%0.57745%0.452SS*.Hα-helixtrans-60.3-41.5176.6-60.50000111.5F205 S206 L212 G213F205-T209 PolarHBondContact O-N 3.34Å; F205-T209 PolarHBondContact O-OG1 3.06Å; F205-T209 VanDerWaalsContact O-OG1 3.12Å; S206-T209 PolarHBondContact O-N 3.43Å; T209-L212 PolarHBondContact O-N 3.45Å; T209-G213 PolarHBondContact O-N 2.98Å
210D81.8Confident76.4Confident95 Ų9593.2 Ų93.251%0.50846%0.464SS..Hα-helixtrans-65.6-41.2176.8-78.1-14.1000112.5S206 A207 V208S206-D210 WeakPolarHBondContact O-CB 3.22Å; S206-D210 PolarHBondContact O-N 3.41Å; A207-D210 PolarHBondContact O-N 3.09Å; V208-D210 VanDerWaalsContact C-N 3.31Å; V208-D210 PolarHBondContact O-N 3.38Å
211L77.4Confident75.3Confident7 Ų793.4 Ų93.44%0.03747%0.465CS..Hα-helixtrans-64.2-42.8175.6-75.7174.3000112A207 V208 L219 I221 D226 L227 L230A207-L211 WeakPolarHBondContact O-CB 3.22Å; A207-L211 VanDerWaalsContact O-CG 3.22Å; A207-L211 WeakPolarHBondContact O-CG 3.42Å; A207-L211 PolarHBondContact O-N 2.9Å; V208-L211 PolarHBondContact O-N 3.19Å; L211-L219 HydrophobicContact CD2-CB 3.84Å; L211-L219 HydrophobicContact CD2-CD1 3.46Å; L211-L219 VanDerWaalsContact CD2-CD1 3.46Å; L211-L219 HydrophobicContact CD2-CG 4.22Å; L211-I221 HydrophobicContact CB-CG1 4.28Å; L211-I221 HydrophobicContact CD1-CG1 4.11Å; L211-D226 HydrophobicContact CD1-CB 4.44Å; L211-D226 HydrophobicContact CD2-CB 4.24Å; L211-L227 HydrophobicContact CD1-CB 4.36Å; L211-L227 HydrophobicContact CD1-CD1 4.31Å; L211-L230 HydrophobicContact CD1-CD1 3.83Å; L211-L230 HydrophobicContact CD2-CD1 3.73Å; L211-L230 HydrophobicContact CG-CD1 3.64Å
212L76.4Confident74.1Confident105 Ų10597 Ų9755%0.5548%0.481SS..Hα-helixtrans-76.7-28.9-179.5-72.6176.1000113.4V208 T209 I221V208-L212 HydrophobicContact CG1-CD1 3.74Å; V208-L212 HydrophobicContact CG1-CG 4.29Å; V208-L212 WeakPolarHBondContact O-CB 3.47Å; V208-L212 WeakPolarHBondContact O-CG 3.23Å; V208-L212 PolarHBondContact O-N 3.04Å; T209-L212 PolarHBondContact O-N 3.45Å; L212-I221 HydrophobicContact CD1-CD1 4.23Å; L212-I221 HydrophobicContact CD2-CD1 3.62Å; L212-I221 HydrophobicContact CG-CD1 3.81Å
213G77.7Confident72.8Confident41 Ų41103 Ų10342%0.42350%0.499SS..THydrogen-bonded Turntrans-83.1-106.1-17900000112.6T209 K215T209-G213 PolarHBondContact O-N 2.98Å; G213-K215 VanDerWaalsContact C-N 3.33Å; G213-K215 PolarHBondContact O-N 2.84Å
214K65.9Low72Confident214 Ų214107.1 Ų107.193%0.9352%0.515SS*.THydrogen-bonded Turntrans-71.3-21.6-163.3-65.8-177.9179.5177.90114.4
215K62.2Low71.4Confident117 Ų117107.6 Ų107.651%0.50952%0.52SS..THydrogen-bonded Turntrans-97.219.4-173.4-62.5-173.9179.1177.20114.3G213 N217 L219G213-K215 VanDerWaalsContact C-N 3.33Å; G213-K215 PolarHBondContact O-N 2.84Å; K215-N217 PolarHBondContact O-N 3.31Å; K215-L219 HydrophobicContact CB-CD1 3.86Å; K215-L219 HydrophobicContact CD-CD1 4.25Å
216R57.1Low70.7Confident205 Ų205101.6 Ų101.677%0.77450%0.495SS*.THydrogen-bonded Turntrans-56.6-4.7-166.2-147.2175.8178.2168.30.7117.7R218R216-R218 PolarHBondContact O-N 2.84Å
217N56.9Low70.3Confident154 Ų154100.2 Ų100.282%0.82448%0.482SS*.THydrogen-bonded Turntrans-82.3-5.5-168.3-78.4-4.3000116.5K215K215-N217 PolarHBondContact O-N 3.31Å
218R60.4Low70.1Confident204 Ų204107.9 Ų107.977%0.7751%0.508SS*.THydrogen-bonded Turntrans-174.47.1176.3-110.9148.1171.8-142.5-9.5118.5R216 R224R216-R218 PolarHBondContact O-N 2.84Å; R218-R224 PolarHBondContact O-NH1 3.07Å; R218-R224 VanDerWaalsContact O-NH1 3.17Å
219L59.1Low69.8Low75 Ų75109.9 Ų109.939%0.39352%0.517SS..  trans-95.5131.1-172.2-60.4172.5000111.1L211 K215 D226L211-L219 HydrophobicContact CD2-CB 3.84Å; L211-L219 HydrophobicContact CD2-CD1 3.46Å; L211-L219 VanDerWaalsContact CD2-CD1 3.46Å; L211-L219 HydrophobicContact CD2-CG 4.22Å; K215-L219 HydrophobicContact CB-CD1 3.86Å; K215-L219 HydrophobicContact CD-CD1 4.25Å; L219-D226 VanDerWaalsContact CA-OD2 3.25Å; L219-D226 WeakPolarHBondContact CA-OD2 3.42Å; L219-D226 WeakPolarHBondContact CB-OD2 3.17Å; L219-D226 HydrophobicContact CD2-CB 4.49Å
220H64.2Low69.5Low105 Ų105109.4 Ų109.449%0.48651%0.511SS..  trans-113.3102.7176.6-75.9-76.2000108.6V222 R223 R224 D226H220-V222 PolarHBondContact O-N 3.2Å; H220-R223 HydrophobicContact CB-CB 4.08Å; H220-R223 PolarHBondContact O-N 3.4Å; H220-R224 HydrophobicContact CB-CG 4.26Å; H220-R224 PolarHBondContact O-N 3.12Å; H220-D226 PolarHBondContact N-OD2 3.34Å
221I61.9Low69.5Low44 Ų44107.3 Ų107.323%0.22650%0.499CS..THydrogen-bonded Turntrans-36.5-52-174.7-61.4166.1000113.1V208 L211 L212 L227V208-I221 HydrophobicContact CG1-CD1 4.23Å; V208-I221 HydrophobicContact CG2-CG2 4.29Å; L211-I221 HydrophobicContact CB-CG1 4.28Å; L211-I221 HydrophobicContact CD1-CG1 4.11Å; L212-I221 HydrophobicContact CD1-CD1 4.23Å; L212-I221 HydrophobicContact CD2-CD1 3.62Å; L212-I221 HydrophobicContact CG-CD1 3.81Å; I221-L227 HydrophobicContact CG2-CB 4.18Å; I221-L227 HydrophobicContact CG2-CD2 4Å; I221-L227 VanDerWaalsContact O-CB 3.25Å; I221-L227 WeakPolarHBondContact O-CB 3.41Å; I221-L227 PolarHBondContact O-N 3.2Å
222V62.2Low69.5Low126 Ų126109.7 Ų109.776%0.76451%0.514SS*.THydrogen-bonded Turntrans-101.9-41.1-173.7-1760000112.3H220 R224H220-V222 PolarHBondContact O-N 3.2Å; V222-R224 PolarHBondContact O-N 2.97Å
223R63.1Low69.4Low232 Ų232111.1 Ų111.188%0.87553%0.527SS*.THydrogen-bonded Turntrans-73.8-28.4-166.7-67.9-168.4177.5-166.20.2114.5H220H220-R223 HydrophobicContact CB-CB 4.08Å; H220-R223 PolarHBondContact O-N 3.4Å
224R69.9Low69.4Low152 Ų152112.9 Ų112.957%0.57453%0.526SS*.THydrogen-bonded Turntrans-102.3-1.5-178.4-74.3-174.9173.2-170.8-6113.8R218 H220 V222 D226R218-R224 PolarHBondContact O-NH1 3.07Å; R218-R224 VanDerWaalsContact O-NH1 3.17Å; H220-R224 HydrophobicContact CB-CG 4.26Å; H220-R224 PolarHBondContact O-N 3.12Å; V222-R224 PolarHBondContact O-N 2.97Å; R224-D226 PolarHBondContact O-N 2.96Å
225G74.2Confident69.8Low25 Ų25111 Ų11126%0.25852%0.521SS..SBendtrans72.713-173.400000113.8L227 R228 L229G225-L227 VanDerWaalsContact C-N 3.27Å; G225-L227 PolarHBondContact O-N 2.93Å; G225-R228 WeakPolarHBondContact O-CA 3.44Å; G225-R228 WeakPolarHBondContact O-CB 3.21Å; G225-R228 PolarHBondContact O-N 2.88Å; G225-L229 PolarHBondContact O-N 3.36Å
226D74.7Confident70.4Confident22 Ų22108.9 Ų108.912%0.11852%0.519CS..Hα-helixtrans-56.2-42-178.5-61.9-30.5000111.7L211 L219 H220 R224 R228 L229 L230L211-D226 HydrophobicContact CD1-CB 4.44Å; L211-D226 HydrophobicContact CD2-CB 4.24Å; L219-D226 VanDerWaalsContact CA-OD2 3.25Å; L219-D226 WeakPolarHBondContact CA-OD2 3.42Å; L219-D226 WeakPolarHBondContact CB-OD2 3.17Å; L219-D226 HydrophobicContact CD2-CB 4.49Å; H220-D226 PolarHBondContact N-OD2 3.34Å; R224-D226 PolarHBondContact O-N 2.96Å; D226-R228 VanDerWaalsContact C-N 3.35Å; D226-R228 PolarHBondContact O-N 3.14Å; D226-L229 PolarHBondContact O-N 2.88Å; D226-L230 WeakPolarHBondContact O-CG 3.34Å; D226-L230 PolarHBondContact O-N 3.11Å
227L78.4Confident71.6Confident41 Ų41103.4 Ų103.422%0.21551%0.505CS..Hα-helixtrans-65.7-38175.6-173.863.7000112A207 V208 L211 I221 G225 L230 L231A207-L227 HydrophobicContact CB-CD1 3.81Å; V208-L227 HydrophobicContact CG2-CD1 3.8Å; V208-L227 HydrophobicContact CG2-CD2 4.1Å; L211-L227 HydrophobicContact CD1-CB 4.36Å; L211-L227 HydrophobicContact CD1-CD1 4.31Å; I221-L227 HydrophobicContact CG2-CB 4.18Å; I221-L227 HydrophobicContact CG2-CD2 4Å; I221-L227 VanDerWaalsContact O-CB 3.25Å; I221-L227 WeakPolarHBondContact O-CB 3.41Å; I221-L227 PolarHBondContact O-N 3.2Å; G225-L227 VanDerWaalsContact C-N 3.27Å; G225-L227 PolarHBondContact O-N 2.93Å; L227-L230 PolarHBondContact O-N 3.25Å; L227-L231 HydrophobicContact CD1-CD1 3.72Å; L227-L231 HydrophobicContact CD1-CG 4.02Å; L227-L231 HydrophobicContact CD2-CD1 4.37Å; L227-L231 HydrophobicContact CG-CD1 3.73Å; L227-L231 HydrophobicContact CG-CG 4.3Å; L227-L231 WeakPolarHBondContact O-CB 3.41Å; L227-L231 VanDerWaalsContact O-CG 3.25Å; L227-L231 WeakPolarHBondContact O-CG 3.4Å; L227-L231 PolarHBondContact O-N 2.89Å
228R79.6Confident72.8Confident172 Ų172100 Ų10065%0.64949%0.49SS*.Hα-helixtrans-65-43.2177.2-177.4179.2177.6177.1-0.3110.7G225 D226 L230 L231 T232 I234G225-R228 WeakPolarHBondContact O-CA 3.44Å; G225-R228 WeakPolarHBondContact O-CB 3.21Å; G225-R228 PolarHBondContact O-N 2.88Å; D226-R228 VanDerWaalsContact C-N 3.35Å; D226-R228 PolarHBondContact O-N 3.14Å; R228-L230 VanDerWaalsContact C-N 3.32Å; R228-L230 PolarHBondContact O-N 3.39Å; R228-L231 PolarHBondContact O-N 3.01Å; R228-T232 HydrophobicContact CG-CG2 4.22Å; R228-T232 WeakPolarHBondContact O-CB 3.25Å; R228-T232 VanDerWaalsContact O-CG2 3.32Å; R228-T232 WeakPolarHBondContact O-CG2 3.44Å; R228-T232 PolarHBondContact O-N 3.5Å; R228-T232 VanDerWaalsContact O-N 3.11Å; R228-T232 PolarHBondContact O-OG1 3.28Å; R228-I234 HydrophobicContact CG-CD1 4.49Å
229L78.4Confident73.8Confident78 Ų7896.3 Ų96.341%0.40849%0.485SS..Hα-helixtrans-62.6-38.9176.1-70.8172.7000111.8G225 D226 I234G225-L229 PolarHBondContact O-N 3.36Å; D226-L229 PolarHBondContact O-N 2.88Å; L229-I234 HydrophobicContact CD2-CG2 4.17Å
230L78.5Confident75Confident84 Ų8499 Ų9944%0.4449%0.494SS..Hα-helixtrans-71.8-30.6178.2-73.3173.9000114.1A207 L211 D226 L227 R228A207-L230 HydrophobicContact CB-CB 4.25Å; A207-L230 HydrophobicContact CB-CD1 4.22Å; L211-L230 HydrophobicContact CD1-CD1 3.83Å; L211-L230 HydrophobicContact CD2-CD1 3.73Å; L211-L230 HydrophobicContact CG-CD1 3.64Å; D226-L230 WeakPolarHBondContact O-CG 3.34Å; D226-L230 PolarHBondContact O-N 3.11Å; L227-L230 PolarHBondContact O-N 3.25Å; R228-L230 VanDerWaalsContact C-N 3.32Å; R228-L230 PolarHBondContact O-N 3.39Å
231L80.2Confident75.7Confident51 Ų5198.8 Ų98.827%0.26750%0.496SS..Hα-helixtrans-97.5-4.1-174.7-63.6-179.8000114.1R203 A207 L227 R228R203-L231 HydrophobicContact CB-CD2 4.32Å; A207-L231 HydrophobicContact CB-CD2 3.88Å; A207-L231 HydrophobicContact CB-CG 4.47Å; L227-L231 HydrophobicContact CD1-CD1 3.72Å; L227-L231 HydrophobicContact CD1-CG 4.02Å; L227-L231 HydrophobicContact CD2-CD1 4.37Å; L227-L231 HydrophobicContact CG-CD1 3.73Å; L227-L231 HydrophobicContact CG-CG 4.3Å; L227-L231 WeakPolarHBondContact O-CB 3.41Å; L227-L231 VanDerWaalsContact O-CG 3.25Å; L227-L231 WeakPolarHBondContact O-CG 3.4Å; L227-L231 PolarHBondContact O-N 2.89Å; R228-L231 PolarHBondContact O-N 3.01Å
232T77.6Confident76.6Confident56 Ų56102 Ų10234%0.34451%0.513SS..SBendtrans-124.2161.3-179.664.90000110.3R228 I234R228-T232 HydrophobicContact CG-CG2 4.22Å; R228-T232 WeakPolarHBondContact O-CB 3.25Å; R228-T232 VanDerWaalsContact O-CG2 3.32Å; R228-T232 WeakPolarHBondContact O-CG2 3.44Å; R228-T232 PolarHBondContact O-N 3.5Å; R228-T232 VanDerWaalsContact O-N 3.11Å; R228-T232 PolarHBondContact O-OG1 3.28Å; T232-I234 HydrophobicContact CG2-CD1 4.38Å; T232-I234 PolarHBondContact O-N 3.44Å; T232-I234 WeakPolarHBondContact OG1-CB 3.4Å; T232-I234 WeakPolarHBondContact OG1-CD1 3.44Å; T232-I234 VanDerWaalsContact OG1-CG1 3.29Å; T232-I234 WeakPolarHBondContact OG1-CG1 3.48Å; T232-I234 PolarHBondContact OG1-N 3.31Å
233T74.5Confident77.6Confident135 Ų135100.3 Ų100.383%0.82851%0.512SS*.  trans-81.619170.1600000112E235T233-E235 PolarHBondContact O-N 3.01Å; T233-E235 VanDerWaalsContact O-N 3.14Å
234I77.4Confident78.4Confident79 Ų7995.3 Ų95.341%0.40550%0.502SS..  trans-70.5111.2177.6-65172.2000107.2R228 L229 T232R228-I234 HydrophobicContact CG-CD1 4.49Å; L229-I234 HydrophobicContact CD2-CG2 4.17Å; T232-I234 HydrophobicContact CG2-CD1 4.38Å; T232-I234 PolarHBondContact O-N 3.44Å; T232-I234 WeakPolarHBondContact OG1-CB 3.4Å; T232-I234 WeakPolarHBondContact OG1-CD1 3.44Å; T232-I234 VanDerWaalsContact OG1-CG1 3.29Å; T232-I234 WeakPolarHBondContact OG1-CG1 3.48Å; T232-I234 PolarHBondContact OG1-N 3.31Å
235E76.2Confident78.5Confident173 Ų17395.2 Ų95.281%0.80851%0.508SS*.  trans-79132.5170-65.5-175.8166.100109.1T233 D237T233-E235 PolarHBondContact O-N 3.01Å; T233-E235 VanDerWaalsContact O-N 3.14Å; E235-D237 PolarHBondContact O-N 2.91Å
236P74.1Confident77.9Confident73 Ų73102.5 Ų102.547%0.47454%0.535SS..  trans-63.5134.3171.126.9-31.6000108.9V238 L241P236-V238 VanDerWaalsContact C-N 3.26Å; P236-V238 HydrophobicContact CG-CG2 4.42Å; P236-V238 WeakPolarHBondContact O-CG2 3.39Å; P236-V238 PolarHBondContact O-N 3.43Å; P236-L241 HydrophobicContact CB-CD1 4.07Å
237D81.7Confident77.3Confident91 Ų91107.5 Ų107.549%0.48757%0.567SS.*  trans-71.284.6173.3-176.5-13.5000109E235 D239 K240 L241E235-D237 PolarHBondContact O-N 2.91Å; D237-D239 VanDerWaalsContact C-N 3.27Å; D237-D239 PolarHBondContact O-N 3.3Å; D237-K240 HydrophobicContact CB-CB 4.06Å; D237-K240 PolarHBondContact O-N 3.19Å; D237-K240 VanDerWaalsContact OD1-CB 3.3Å; D237-K240 WeakPolarHBondContact OD1-CB 3.5Å; D237-K240 PolarHBondContact OD1-N 3.47Å; D237-K240 VanDerWaalsContact OD2-CB 3.25Å; D237-K240 WeakPolarHBondContact OD2-CB 3.28Å; D237-L241 VanDerWaalsContact O-CG 3.27Å; D237-L241 WeakPolarHBondContact O-CG 3.41Å; D237-L241 PolarHBondContact O-N 3.37Å
238V81.5Confident76.2Confident82 Ų82114.3 Ų114.350%0.49760%0.597SS.*Hα-helixtrans-61.3-38.4-174.5-179.70000110.6P236 L241 L242P236-V238 VanDerWaalsContact C-N 3.26Å; P236-V238 HydrophobicContact CG-CG2 4.42Å; P236-V238 WeakPolarHBondContact O-CG2 3.39Å; P236-V238 PolarHBondContact O-N 3.43Å; V238-L241 WeakPolarHBondContact O-CB 3.44Å; V238-L241 PolarHBondContact O-N 3.46Å; V238-L242 HydrophobicContact CG1-CD1 3.92Å; V238-L242 HydrophobicContact CG1-CG 4.12Å; V238-L242 WeakPolarHBondContact O-CB 3.31Å; V238-L242 VanDerWaalsContact O-CG 3.27Å; V238-L242 WeakPolarHBondContact O-CG 3.49Å; V238-L242 PolarHBondContact O-N 2.94Å
239D82.6Confident75Confident126 Ų126111.3 Ų111.367%0.67460%0.6SS**Hα-helixtrans-64.4-45.5-179.5-65.9-37.4000111.3D237 L241 L242 A243D237-D239 VanDerWaalsContact C-N 3.27Å; D237-D239 PolarHBondContact O-N 3.3Å; D239-L241 VanDerWaalsContact C-N 3.32Å; D239-L241 PolarHBondContact O-N 2.95Å; D239-L242 PolarHBondContact O-N 3.12Å; D239-A243 WeakPolarHBondContact O-CB 3.4Å; D239-A243 PolarHBondContact O-N 3.24Å
240K84.4Confident74.2Confident132 Ų132113.3 Ų113.357%0.57462%0.62SS**Hα-helixtrans-63.8-38.3173.9-174.7175.9-177.9175.40112.2D237 A243 L244D237-K240 HydrophobicContact CB-CB 4.06Å; D237-K240 PolarHBondContact O-N 3.19Å; D237-K240 VanDerWaalsContact OD1-CB 3.3Å; D237-K240 WeakPolarHBondContact OD1-CB 3.5Å; D237-K240 PolarHBondContact OD1-N 3.47Å; D237-K240 VanDerWaalsContact OD2-CB 3.25Å; D237-K240 WeakPolarHBondContact OD2-CB 3.28Å; K240-A243 PolarHBondContact O-N 2.94Å; K240-L244 HydrophobicContact CG-CD1 4.28Å; K240-L244 WeakPolarHBondContact O-CG 3.31Å; K240-L244 PolarHBondContact O-N 3.28Å; K240-L244 VanDerWaalsContact O-N 3.16Å
241L79.2Confident72.8Confident101 Ų101121.6 Ų121.653%0.52966%0.657SS.*Hα-helixtrans-65.1-41.6176.4-72.3171.3000111.8P236 D237 V238 D239 L244 H245P236-L241 HydrophobicContact CB-CD1 4.07Å; D237-L241 VanDerWaalsContact O-CG 3.27Å; D237-L241 WeakPolarHBondContact O-CG 3.41Å; D237-L241 PolarHBondContact O-N 3.37Å; V238-L241 WeakPolarHBondContact O-CB 3.44Å; V238-L241 PolarHBondContact O-N 3.46Å; D239-L241 VanDerWaalsContact C-N 3.32Å; D239-L241 PolarHBondContact O-N 2.95Å; L241-L244 PolarHBondContact O-N 2.92Å; L241-H245 PolarHBondContact O-N 3.45Å
242L81.2Confident72.4Confident112 Ų112125.2 Ų125.259%0.58668%0.676SS**Hα-helixtrans-65.4-43176-72.7173.3000111.5V238 D239 L244 H245V238-L242 HydrophobicContact CG1-CD1 3.92Å; V238-L242 HydrophobicContact CG1-CG 4.12Å; V238-L242 WeakPolarHBondContact O-CB 3.31Å; V238-L242 VanDerWaalsContact O-CG 3.27Å; V238-L242 WeakPolarHBondContact O-CG 3.49Å; V238-L242 PolarHBondContact O-N 2.94Å; D239-L242 PolarHBondContact O-N 3.12Å; L242-L244 VanDerWaalsContact C-N 3.27Å; L242-L244 PolarHBondContact O-N 3.46Å; L242-H245 WeakPolarHBondContact O-CB 3.46Å; L242-H245 PolarHBondContact O-N 2.94Å
243A82.4Confident72.1Confident90 Ų90128.8 Ų128.874%0.74469%0.694SS**Hα-helixtrans-63.2-32178.200000113.2D239 K240 H245D239-A243 WeakPolarHBondContact O-CB 3.4Å; D239-A243 PolarHBondContact O-N 3.24Å; K240-A243 PolarHBondContact O-N 2.94Å; A243-H245 VanDerWaalsContact C-N 3.33Å
244L79.8Confident72Confident127 Ų127128.4 Ų128.467%0.66569%0.686SS**Hα-helixtrans-78.9-17.5175.3-71.9167.8000113K240 L241 L242 Q246K240-L244 HydrophobicContact CG-CD1 4.28Å; K240-L244 WeakPolarHBondContact O-CG 3.31Å; K240-L244 PolarHBondContact O-N 3.28Å; K240-L244 VanDerWaalsContact O-N 3.16Å; L241-L244 PolarHBondContact O-N 2.92Å; L242-L244 VanDerWaalsContact C-N 3.27Å; L242-L244 PolarHBondContact O-N 3.46Å; L244-Q246 PolarHBondContact O-N 3.37Å; L244-Q246 VanDerWaalsContact O-N 3.08Å
245H72.4Confident71.7Confident149 Ų149131.4 Ų131.469%0.6970%0.703SS**  trans-81.588.6-178.4-144.9-95.3000109.4L241 L242 A243 T247L241-H245 PolarHBondContact O-N 3.45Å; L242-H245 WeakPolarHBondContact O-CB 3.46Å; L242-H245 PolarHBondContact O-N 2.94Å; A243-H245 VanDerWaalsContact C-N 3.33Å; H245-T247 PolarHBondContact O-N 3.47Å; H245-T247 VanDerWaalsContact O-N 3.11Å
246Q62Low71.4Confident178 Ų178128.8 Ų128.883%0.83270%0.696SS**  trans-61.1116.5169.5-73.1-173.2-9.300109L244 Q248L244-Q246 PolarHBondContact O-N 3.37Å; L244-Q246 VanDerWaalsContact O-N 3.08Å; Q246-Q248 PolarHBondContact O-N 3.2Å; Q246-Q248 VanDerWaalsContact O-N 3.11Å
247T61.7Low71.2Confident128 Ų128132.5 Ų132.579%0.78571%0.711SS**  trans-57.3115.4165.743.50000107.7H245H245-T247 PolarHBondContact O-N 3.47Å; H245-T247 VanDerWaalsContact O-N 3.11Å
248Q55.7Low70.4Confident183 Ų183135.4 Ų135.486%0.85573%0.727SS**PPolyproline II helixtrans-57.4127.6169.5-76.7-148.5-4100107.8Q246 S250Q246-Q248 PolarHBondContact O-N 3.2Å; Q246-Q248 VanDerWaalsContact O-N 3.11Å; Q248-S250 PolarHBondContact O-N 3.19Å; Q248-S250 VanDerWaalsContact O-N 3.16Å
249P52.9Low69.6Low109 Ų109139.5 Ų139.571%0.70875%0.745SS**PPolyproline II helixtrans-64122.4172.126-28.4000106.9H251P249-H251 PolarHBondContact O-N 3.03Å
250S62.7Low68.5Low120 Ų120140.7 Ų140.784%0.83975%0.75SS**PPolyproline II helixtrans-57.6123166.519.10000108.5Q248Q248-S250 PolarHBondContact O-N 3.19Å; Q248-S250 VanDerWaalsContact O-N 3.16Å
251H47.6Very low67.1Low259 Ų259141.5 Ų141.5100%1.19977%0.767SS**  trans-72.20169-82.6-69.1000111.4P249P249-H251 PolarHBondContact O-N 3.03Å

Retrieved 251 of 251 residues in 1948.2 ms (Link to these results)

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