A0A087YE62_POEFO Loading...

Mediator of RNA polymerase II transcription subunit 8

Component of the Mediator complex, a coactivator involved in the regulated transcription of nearly all RNA polymerase II-dependent genes. Mediator functions as a bridge to convey information from gene-specific regulatory proteins to the basal RNA polymerase II transcription machinery. Mediator is recruited to promoters by direct interactions with regulatory proteins and serves as a scaffold for the assembly of a functional preinitiation complex with RNA polymerase II and the general transcription factors. May play a role as a target recruitment subunit in E3 ubiquitin-protein ligase complexes and thus in ubiquitination and subsequent proteasomal degradation of target proteins.

AlphaFold DB , UniProt , Accession A0A087YE62, Species POEFO (Poecilia formosa, Amazon molly), Gene MED8, Length 270 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
1M61.3Low82.9Confident176 Ų176116.4 Ų116.487%0.86755%0.548SS*.  0-78.10-62.4-53.4-81.300108.5Q3 R4 E5M1-Q3 PolarHBondContact O-N 3.23Å; M1-Q3 VanDerWaalsContact O-N 3.09Å; M1-R4 WeakPolarHBondContact O-CA 3.23Å; M1-R4 VanDerWaalsContact O-CB 3.27Å; M1-R4 WeakPolarHBondContact O-CB 3.42Å; M1-R4 PolarHBondContact O-N 3Å; M1-E5 PolarHBondContact O-N 3.33Å
2Q74.6Confident83.6Confident162 Ų162107.8 Ų107.876%0.75751%0.51SS*.Hα-helixtrans-32.8-59.6-176.3-156.2165.410.500116.6R4 E5 E6Q2-R4 PolarHBondContact O-N 3.5Å; Q2-R4 VanDerWaalsContact O-N 3.09Å; Q2-E5 WeakPolarHBondContact CA-OE2 3.39Å; Q2-E5 PolarHBondContact N-OE2 2.91Å; Q2-E5 WeakPolarHBondContact O-CA 3.44Å; Q2-E5 WeakPolarHBondContact O-CB 3.07Å; Q2-E5 PolarHBondContact O-N 3.02Å; Q2-E6 WeakPolarHBondContact O-CB 3.5Å; Q2-E6 PolarHBondContact O-N 3.38Å
3Q82Confident84.1Confident135 Ų135103.8 Ų103.863%0.63150%0.496SS*.Hα-helixtrans-61.8-20.3-179.6-167.1-179.363.500115.1M1 K7M1-Q3 PolarHBondContact O-N 3.23Å; M1-Q3 VanDerWaalsContact O-N 3.09Å; Q3-K7 WeakPolarHBondContact O-CG 3.13Å; Q3-K7 PolarHBondContact O-N 2.67Å
4R82.7Confident84.7Confident194 Ų194103.3 Ų103.373%0.73250%0.498SS*.Hα-helixtrans-80.6-37.7171.7-176.9-178.1177.4174.81.4111.3M1 Q2 Q8M1-R4 WeakPolarHBondContact O-CA 3.23Å; M1-R4 VanDerWaalsContact O-CB 3.27Å; M1-R4 WeakPolarHBondContact O-CB 3.42Å; M1-R4 PolarHBondContact O-N 3Å; Q2-R4 PolarHBondContact O-N 3.5Å; Q2-R4 VanDerWaalsContact O-N 3.09Å; R4-Q8 VanDerWaalsContact O-CB 3.25Å; R4-Q8 WeakPolarHBondContact O-CB 3.49Å; R4-Q8 PolarHBondContact O-N 2.88Å
5E83.6Confident85.3Confident101 Ų101100.5 Ų100.547%0.47249%0.494SS..Hα-helixtrans-70.8-38.8178.7-66.6154.614200110.3M1 Q2 Q8 L9M1-E5 PolarHBondContact O-N 3.33Å; Q2-E5 WeakPolarHBondContact CA-OE2 3.39Å; Q2-E5 PolarHBondContact N-OE2 2.91Å; Q2-E5 WeakPolarHBondContact O-CA 3.44Å; Q2-E5 WeakPolarHBondContact O-CB 3.07Å; Q2-E5 PolarHBondContact O-N 3.02Å; E5-Q8 PolarHBondContact O-N 3.21Å; E5-L9 WeakPolarHBondContact O-CB 3.44Å; E5-L9 PolarHBondContact O-N 3.34Å
6E84.8Confident85.7Confident107 Ų10796.8 Ų96.850%0.548%0.476SS..Hα-helixtrans-58.1-54.7169.8-174.9172.5-134.100111.9Q2 Q8 L9 E10Q2-E6 WeakPolarHBondContact O-CB 3.5Å; Q2-E6 PolarHBondContact O-N 3.38Å; E6-Q8 VanDerWaalsContact C-N 3.29Å; E6-Q8 PolarHBondContact O-N 2.98Å; E6-L9 WeakPolarHBondContact O-CA 3.41Å; E6-L9 VanDerWaalsContact O-CB 3.27Å; E6-L9 WeakPolarHBondContact O-CB 3.33Å; E6-L9 PolarHBondContact O-N 3.49Å; E6-E10 WeakPolarHBondContact O-CG 3.45Å; E6-E10 PolarHBondContact O-N 3.12Å
7K87.6Confident86.1Confident126 Ų12697.1 Ų97.155%0.54848%0.479SS..Hα-helixtrans-64.2-30.3176.4-73.1-178.1175-171.40114.2Q3 L9 E10 A11Q3-K7 WeakPolarHBondContact O-CG 3.13Å; Q3-K7 PolarHBondContact O-N 2.67Å; K7-L9 VanDerWaalsContact C-N 3.34Å; K7-E10 WeakPolarHBondContact CA-OE2 2.99Å; K7-A11 WeakPolarHBondContact O-CB 3.48Å; K7-A11 PolarHBondContact O-N 3.29Å
8Q86.8Confident86.5Confident81 Ų8195.6 Ų95.638%0.37948%0.48SS..Hα-helixtrans-72.8-30.1173.6-173.3176.6-17.100111.6R4 E5 E6 S12 K68 P70R4-Q8 VanDerWaalsContact O-CB 3.25Å; R4-Q8 WeakPolarHBondContact O-CB 3.49Å; R4-Q8 PolarHBondContact O-N 2.88Å; E5-Q8 PolarHBondContact O-N 3.21Å; E6-Q8 VanDerWaalsContact C-N 3.29Å; E6-Q8 PolarHBondContact O-N 2.98Å; Q8-S12 WeakPolarHBondContact O-CB 3.4Å; Q8-S12 PolarHBondContact O-N 3Å; Q8-S12 PolarHBondContact O-OG 3.46Å; Q8-K68 PolarHBondContact NE2-O 3.01Å; Q8-P70 HydrophobicContact CB-CG 4.31Å; Q8-P70 HydrophobicContact CG-CG 3.84Å
9L87.8Confident87Confident39 Ų3992.7 Ų92.720%0.20447%0.465CS..Hα-helixtrans-69.1-53172177.668.3000111E5 E6 K7 A11 S12 V13 P70 F72 Q75E5-L9 WeakPolarHBondContact O-CB 3.44Å; E5-L9 PolarHBondContact O-N 3.34Å; E6-L9 WeakPolarHBondContact O-CA 3.41Å; E6-L9 VanDerWaalsContact O-CB 3.27Å; E6-L9 WeakPolarHBondContact O-CB 3.33Å; E6-L9 PolarHBondContact O-N 3.49Å; K7-L9 VanDerWaalsContact C-N 3.34Å; L9-A11 PolarHBondContact O-N 3.04Å; L9-S12 CarbonylContact O-C 3.55Å; L9-S12 WeakPolarHBondContact O-CA 3.4Å; L9-S12 WeakPolarHBondContact O-CB 3.44Å; L9-S12 PolarHBondContact O-N 3.35Å; L9-V13 HydrophobicContact CD1-CG2 4.24Å; L9-V13 HydrophobicContact CG-CG2 4.37Å; L9-V13 WeakPolarHBondContact O-CG2 3.44Å; L9-V13 PolarHBondContact O-N 3Å; L9-P70 HydrophobicContact CB-CG 4.49Å; L9-P70 HydrophobicContact CD1-CB 4.24Å; L9-F72 HydrophobicContact CD1-CD1 3.94Å; L9-F72 HydrophobicContact CD1-CE1 3.62Å; L9-Q75 VanDerWaalsContact CD1-OE1 3.27Å
10E90.2Very high87.3Confident106 Ų10691.9 Ų91.950%0.49547%0.465SS..Hα-helixtrans-49.6-56.7177.4-68.6174.1139.500110.8E6 K7 S12 V13 D14E6-E10 WeakPolarHBondContact O-CG 3.45Å; E6-E10 PolarHBondContact O-N 3.12Å; K7-E10 WeakPolarHBondContact CA-OE2 2.99Å; E10-S12 PolarHBondContact O-N 2.8Å; E10-S12 VanDerWaalsContact O-N 3.12Å; E10-V13 WeakPolarHBondContact O-CA 3.34Å; E10-V13 WeakPolarHBondContact O-CB 3.34Å; E10-V13 PolarHBondContact O-N 2.71Å; E10-D14 PolarHBondContact O-N 3.08Å
11A90.8Very high87.6Confident53 Ų5389.3 Ų89.344%0.43846%0.458SS..Hα-helixtrans-61.3-25.9178.800000113.9K7 L9 S15K7-A11 WeakPolarHBondContact O-CB 3.48Å; K7-A11 PolarHBondContact O-N 3.29Å; L9-A11 PolarHBondContact O-N 3.04Å; A11-S15 WeakPolarHBondContact O-CB 3.45Å; A11-S15 PolarHBondContact O-N 3.4Å; A11-S15 PolarHBondContact O-OG 3.2Å
12S90.6Very high89.2Confident14 Ų1485.5 Ų85.510%0.09844%0.441CS..Hα-helixtrans-79.8-32.4174.6-61.60000112.6Q8 L9 E10 L16 P70Q8-S12 WeakPolarHBondContact O-CB 3.4Å; Q8-S12 PolarHBondContact O-N 3Å; Q8-S12 PolarHBondContact O-OG 3.46Å; L9-S12 CarbonylContact O-C 3.55Å; L9-S12 WeakPolarHBondContact O-CA 3.4Å; L9-S12 WeakPolarHBondContact O-CB 3.44Å; L9-S12 PolarHBondContact O-N 3.35Å; E10-S12 PolarHBondContact O-N 2.8Å; E10-S12 VanDerWaalsContact O-N 3.12Å; S12-L16 WeakPolarHBondContact O-CB 3.25Å; S12-L16 PolarHBondContact O-N 2.82Å; S12-P70 VanDerWaalsContact OG-CD 3.24Å; S12-P70 WeakPolarHBondContact OG-CD 3.46Å
13V90.7Very high90.2Very high55 Ų5578.3 Ų78.333%0.33341%0.408SS..Hα-helixtrans-69.6-47.4172.91720000110.1L9 E10 S15 L16 I17 F72L9-V13 HydrophobicContact CD1-CG2 4.24Å; L9-V13 HydrophobicContact CG-CG2 4.37Å; L9-V13 WeakPolarHBondContact O-CG2 3.44Å; L9-V13 PolarHBondContact O-N 3Å; E10-V13 WeakPolarHBondContact O-CA 3.34Å; E10-V13 WeakPolarHBondContact O-CB 3.34Å; E10-V13 PolarHBondContact O-N 2.71Å; V13-S15 VanDerWaalsContact C-N 3.28Å; V13-S15 PolarHBondContact O-N 2.88Å; V13-L16 WeakPolarHBondContact O-CB 3.33Å; V13-L16 PolarHBondContact O-N 3.21Å; V13-I17 HydrophobicContact CG1-CD1 3.72Å; V13-I17 HydrophobicContact CG1-CG1 4.31Å; V13-I17 WeakPolarHBondContact O-CG1 3.36Å; V13-I17 PolarHBondContact O-N 2.92Å; V13-F72 HydrophobicContact CG2-CE1 3.84Å; V13-F72 HydrophobicContact CG2-CZ 4.48Å
14D92.8Very high90.8Very high97 Ų9774.6 Ų74.652%0.51939%0.39SS..Hα-helixtrans-58.1-41175.4-66.6-28.8000112.1E10 S18E10-D14 PolarHBondContact O-N 3.08Å; D14-S18 WeakPolarHBondContact O-CB 3.45Å; D14-S18 PolarHBondContact O-N 3.47Å; D14-S18 PolarHBondContact O-OG 2.86Å
15S92.6Very high91.4Very high62 Ų6268.8 Ų68.843%0.43437%0.373SS..Hα-helixtrans-62.5-41.3174.5-63.30000112A11 V13 L19A11-S15 WeakPolarHBondContact O-CB 3.45Å; A11-S15 PolarHBondContact O-N 3.4Å; A11-S15 PolarHBondContact O-OG 3.2Å; V13-S15 VanDerWaalsContact C-N 3.28Å; V13-S15 PolarHBondContact O-N 2.88Å; S15-L19 WeakPolarHBondContact O-CG 3.35Å; S15-L19 PolarHBondContact O-N 3.49Å; S15-L19 VanDerWaalsContact O-N 3.1Å
16L92.4Very high92Very high41 Ų4164.6 Ų64.622%0.21536%0.356CS..Hα-helixtrans-68.7-45.9177.7-176.856.2000111.8S12 V13 S18 L19 V20 I60 M63 L64S12-L16 WeakPolarHBondContact O-CB 3.25Å; S12-L16 PolarHBondContact O-N 2.82Å; V13-L16 WeakPolarHBondContact O-CB 3.33Å; V13-L16 PolarHBondContact O-N 3.21Å; L16-S18 VanDerWaalsContact C-N 3.28Å; L16-S18 PolarHBondContact O-N 3.14Å; L16-L19 PolarHBondContact O-N 3.34Å; L16-V20 HydrophobicContact CD1-CG2 4.18Å; L16-V20 HydrophobicContact CG-CG2 4.47Å; L16-V20 WeakPolarHBondContact O-CB 2.76Å; L16-V20 WeakPolarHBondContact O-CG2 3Å; L16-V20 PolarHBondContact O-N 3.29Å; L16-I60 HydrophobicContact CD1-CG2 4.11Å; L16-M63 HydrophobicContact CB-CE 3.98Å; L16-M63 HydrophobicContact CB-SD 4.16Å; L16-M63 HydrophobicContact CD1-CE 3.89Å; L16-M63 HydrophobicContact CD1-SD 4.38Å; L16-M63 HydrophobicContact CD2-CE 4.36Å; L16-M63 HydrophobicContact CG-CE 4.29Å; L16-L64 HydrophobicContact CD1-CD2 4.35Å; L16-L64 HydrophobicContact CD2-CD2 4.16Å
17I92.6Very high92.5Very high102 Ų10263.4 Ų63.452%0.52335%0.352SS..Hα-helixtrans-56.1-45.8175.9-69.7168.1000109.9V13 L19 V20 A21V13-I17 HydrophobicContact CG1-CD1 3.72Å; V13-I17 HydrophobicContact CG1-CG1 4.31Å; V13-I17 WeakPolarHBondContact O-CG1 3.36Å; V13-I17 PolarHBondContact O-N 2.92Å; I17-L19 PolarHBondContact O-N 3.32Å; I17-V20 PolarHBondContact O-N 2.92Å; I17-A21 WeakPolarHBondContact O-CB 3.43Å; I17-A21 PolarHBondContact O-N 2.88Å
18S93.9Very high92.9Very high70 Ų7063 Ų6349%0.4935%0.353SS..Hα-helixtrans-60.8-44.6177.4-59.70000112.7D14 L16 A21 L22D14-S18 WeakPolarHBondContact O-CB 3.45Å; D14-S18 PolarHBondContact O-N 3.47Å; D14-S18 PolarHBondContact O-OG 2.86Å; L16-S18 VanDerWaalsContact C-N 3.28Å; L16-S18 PolarHBondContact O-N 3.14Å; S18-A21 PolarHBondContact O-N 2.92Å; S18-L22 WeakPolarHBondContact O-CG 3.44Å; S18-L22 PolarHBondContact O-N 2.7Å
19L94.6Very high93.2Very high40 Ų4062.2 Ų62.221%0.20936%0.356CS..Hα-helixtrans-67.5-38.2177.3-71.3171.6000112.7S15 L16 I17 L22 T23 T59 I60 M63S15-L19 WeakPolarHBondContact O-CG 3.35Å; S15-L19 PolarHBondContact O-N 3.49Å; S15-L19 VanDerWaalsContact O-N 3.1Å; L16-L19 PolarHBondContact O-N 3.34Å; I17-L19 PolarHBondContact O-N 3.32Å; L19-L22 PolarHBondContact O-N 2.96Å; L19-T23 PolarHBondContact O-N 2.82Å; L19-T23 VanDerWaalsContact O-N 3.07Å; L19-T23 PolarHBondContact O-OG1 3.07Å; L19-T59 HydrophobicContact CD1-CG2 4.36Å; L19-T59 HydrophobicContact CD2-CG2 3.9Å; L19-I60 HydrophobicContact CB-CD1 4.32Å; L19-I60 HydrophobicContact CB-CG1 3.76Å; L19-I60 HydrophobicContact CD1-CG1 4.4Å; L19-M63 HydrophobicContact CD1-CB 4.33Å; L19-M63 HydrophobicContact CD1-CG 4.46Å; L19-M63 HydrophobicContact CD1-SD 4.03Å
20V94.3Very high93.6Very high76 Ų7661 Ų6146%0.46135%0.349SS..Hα-helixtrans-66.4-42.3175.2170.80000110.6L16 I17 L22 T23 K24 I60L16-V20 HydrophobicContact CD1-CG2 4.18Å; L16-V20 HydrophobicContact CG-CG2 4.47Å; L16-V20 WeakPolarHBondContact O-CB 2.76Å; L16-V20 WeakPolarHBondContact O-CG2 3Å; L16-V20 PolarHBondContact O-N 3.29Å; I17-V20 PolarHBondContact O-N 2.92Å; V20-L22 PolarHBondContact O-N 3.49Å; V20-T23 PolarHBondContact O-N 3.33Å; V20-K24 WeakPolarHBondContact O-CB 3.17Å; V20-K24 PolarHBondContact O-N 3.17Å; V20-I60 HydrophobicContact CG2-CD1 4.22Å
21A93.4Very high93.8Very high38 Ų3859.8 Ų59.831%0.31435%0.345SS..Hα-helixtrans-61.3-43.6175.700000112.3I17 S18 T23 K24 N25I17-A21 WeakPolarHBondContact O-CB 3.43Å; I17-A21 PolarHBondContact O-N 2.88Å; S18-A21 PolarHBondContact O-N 2.92Å; A21-T23 VanDerWaalsContact C-N 3.31Å; A21-T23 PolarHBondContact O-N 3.18Å; A21-K24 PolarHBondContact O-N 3.39Å; A21-N25 WeakPolarHBondContact O-CB 3.41Å; A21-N25 PolarHBondContact O-N 2.71Å; A21-N25 PolarHBondContact O-OD1 3.42Å
22L94.6Very high93.9Very high97 Ų9763.6 Ų63.651%0.50835%0.349SS..Hα-helixtrans-61-38.5174-71.9170.3000112.5S18 L19 V20 A26 Q56S18-L22 WeakPolarHBondContact O-CG 3.44Å; S18-L22 PolarHBondContact O-N 2.7Å; L19-L22 PolarHBondContact O-N 2.96Å; V20-L22 PolarHBondContact O-N 3.49Å; L22-A26 WeakPolarHBondContact O-CB 3.45Å; L22-A26 PolarHBondContact O-N 3.36Å; L22-A26 VanDerWaalsContact O-N 3.12Å; L22-Q56 PolarHBondContact O-NE2 2.9Å; L22-Q56 VanDerWaalsContact O-NE2 3.13Å
23T96Very high94Very high10 Ų1065.9 Ų65.96%0.06136%0.357CS..Hα-helixtrans-70.5-43.9178.3-50.30000111.3L19 V20 A21 N25 A26 L27 Q56 L57 I60L19-T23 PolarHBondContact O-N 2.82Å; L19-T23 VanDerWaalsContact O-N 3.07Å; L19-T23 PolarHBondContact O-OG1 3.07Å; V20-T23 PolarHBondContact O-N 3.33Å; A21-T23 VanDerWaalsContact C-N 3.31Å; A21-T23 PolarHBondContact O-N 3.18Å; T23-N25 PolarHBondContact O-N 2.63Å; T23-A26 PolarHBondContact O-N 3.4Å; T23-L27 HydrophobicContact CG2-CD1 4.45Å; T23-L27 WeakPolarHBondContact O-CG 3.32Å; T23-L27 PolarHBondContact O-N 3.22Å; T23-Q56 HydrophobicContact CG2-CB 4.42Å; T23-L57 HydrophobicContact CG2-CD2 4.04Å; T23-L57 HydrophobicContact CG2-CG 4.33Å; T23-I60 WeakPolarHBondContact OG1-CD1 3.45Å
24K94.6Very high94.1Very high58 Ų5867.1 Ų67.125%0.25236%0.361SS..Hα-helixtrans-58.3-46.8174.1-173.7-150.273.7-174.10111.5V20 A21 A26 L27 Q28 E95V20-K24 WeakPolarHBondContact O-CB 3.17Å; V20-K24 PolarHBondContact O-N 3.17Å; A21-K24 PolarHBondContact O-N 3.39Å; K24-A26 VanDerWaalsContact C-N 3.33Å; K24-A26 PolarHBondContact O-N 3.29Å; K24-L27 PolarHBondContact O-N 3.29Å; K24-Q28 WeakPolarHBondContact O-CB 3.37Å; K24-Q28 PolarHBondContact O-N 2.93Å; K24-E95 IonicContact NZ-OE1 2.71Å; K24-E95 PolarHBondContact NZ-OE1 2.87Å; K24-E95 IonicContact NZ-OE2 3.92Å; K24-E95 PolarHBondContact NZ-OE2 2.9Å
25N94.4Very high94.2Very high72 Ų7268.6 Ų68.639%0.38537%0.365SS..Hα-helixtrans-65.8-35.5-179.7-68.6-2.9000112.1A21 T23 S29A21-N25 WeakPolarHBondContact O-CB 3.41Å; A21-N25 PolarHBondContact O-N 2.71Å; A21-N25 PolarHBondContact O-OD1 3.42Å; T23-N25 PolarHBondContact O-N 2.63Å; N25-S29 VanDerWaalsContact O-CB 3.23Å; N25-S29 WeakPolarHBondContact O-CB 3.41Å; N25-S29 PolarHBondContact O-N 2.99Å; N25-S29 PolarHBondContact O-OG 3.25Å
26A95.8Very high94.2Very high13 Ų1370.1 Ų70.111%0.10737%0.369CS..Hα-helixtrans-68.2-42.817300000112.2L22 T23 K24 S29 F30 L52 L53L22-A26 WeakPolarHBondContact O-CB 3.45Å; L22-A26 PolarHBondContact O-N 3.36Å; L22-A26 VanDerWaalsContact O-N 3.12Å; T23-A26 PolarHBondContact O-N 3.4Å; K24-A26 VanDerWaalsContact C-N 3.33Å; K24-A26 PolarHBondContact O-N 3.29Å; A26-S29 PolarHBondContact O-N 2.93Å; A26-F30 WeakPolarHBondContact O-CB 3.45Å; A26-F30 PolarHBondContact O-N 3.24Å; A26-L52 HydrophobicContact CB-CD2 4.28Å; A26-L53 HydrophobicContact CB-CD2 3.75Å
27L96.4Very high94.1Very high81 Ų8172.3 Ų72.342%0.42438%0.378SS..Hα-helixtrans-59.7-50.6173.9-74.8168.8000111.3T23 K24 S29 F30 I31 L53T23-L27 HydrophobicContact CG2-CD1 4.45Å; T23-L27 WeakPolarHBondContact O-CG 3.32Å; T23-L27 PolarHBondContact O-N 3.22Å; K24-L27 PolarHBondContact O-N 3.29Å; L27-S29 VanDerWaalsContact C-N 3.31Å; L27-S29 PolarHBondContact O-N 3.47Å; L27-F30 PolarHBondContact O-N 3.39Å; L27-F30 VanDerWaalsContact O-N 3.09Å; L27-I31 WeakPolarHBondContact O-CG1 3.27Å; L27-I31 PolarHBondContact O-N 3.48Å; L27-L53 HydrophobicContact CB-CD2 4.49Å; L27-L53 HydrophobicContact CD2-CD1 3.84Å; L27-L53 HydrophobicContact CD2-CD2 3.66Å; L27-L53 HydrophobicContact CD2-CG 4.39Å; L27-L53 HydrophobicContact CG-CD2 3.67Å
28Q94.7Very high93.7Very high119 Ų11974.8 Ų74.856%0.55638%0.381SS*.Hα-helixtrans-59.4-42.5178.4-176178.8-0.700111.7K24 F30 Y32K24-Q28 WeakPolarHBondContact O-CB 3.37Å; K24-Q28 PolarHBondContact O-N 2.93Å; Q28-F30 VanDerWaalsContact C-N 3.31Å; Q28-F30 PolarHBondContact O-N 3.03Å; Q28-Y32 WeakPolarHBondContact O-CB 3.48Å; Q28-Y32 PolarHBondContact O-N 3.49Å
29S93.9Very high93.4Very high63 Ų6379.2 Ų79.244%0.44140%0.395SS..Hα-helixtrans-67.6-28.7176.7-63.90000113N25 A26 L27 K33N25-S29 VanDerWaalsContact O-CB 3.23Å; N25-S29 WeakPolarHBondContact O-CB 3.41Å; N25-S29 PolarHBondContact O-N 2.99Å; N25-S29 PolarHBondContact O-OG 3.25Å; A26-S29 PolarHBondContact O-N 2.93Å; L27-S29 VanDerWaalsContact C-N 3.31Å; L27-S29 PolarHBondContact O-N 3.47Å; S29-K33 WeakPolarHBondContact O-CD 3.31Å; S29-K33 WeakPolarHBondContact O-CE 3.37Å; S29-K33 VanDerWaalsContact O-CG 3.27Å; S29-K33 WeakPolarHBondContact O-CG 3.32Å; S29-K33 PolarHBondContact O-N 3.44Å
30F95.3Very high93.1Very high13 Ų1387.5 Ų87.56%0.05742%0.423CS..Hα-helixtrans-80-42.4176-178.5-138.4000111.9A26 L27 Q28 Y32 K33 L34 V46 N49 F50 L53A26-F30 WeakPolarHBondContact O-CB 3.45Å; A26-F30 PolarHBondContact O-N 3.24Å; L27-F30 PolarHBondContact O-N 3.39Å; L27-F30 VanDerWaalsContact O-N 3.09Å; Q28-F30 VanDerWaalsContact C-N 3.31Å; Q28-F30 PolarHBondContact O-N 3.03Å; F30-Y32 VanDerWaalsContact C-N 3.35Å; F30-Y32 PolarHBondContact O-N 2.94Å; F30-K33 PolarHBondContact O-N 2.85Å; F30-L34 HydrophobicContact CD1-CD1 4.09Å; F30-L34 HydrophobicContact CD2-CD1 4.16Å; F30-L34 HydrophobicContact CD2-CG 4.23Å; F30-L34 HydrophobicContact CE1-CD1 3.88Å; F30-L34 HydrophobicContact CE2-CD1 3.94Å; F30-L34 HydrophobicContact CE2-CD2 4.19Å; F30-L34 HydrophobicContact CE2-CG 3.97Å; F30-L34 HydrophobicContact CG-CD1 4.23Å; F30-L34 HydrophobicContact CZ-CD1 3.79Å; F30-L34 HydrophobicContact CZ-CD2 4.32Å; F30-L34 HydrophobicContact CZ-CG 4.25Å; F30-L34 WeakPolarHBondContact O-CG 3.42Å; F30-L34 PolarHBondContact O-N 3.34Å; F30-V46 HydrophobicContact CZ-CG1 4.2Å; F30-N49 HydrophobicContact CB-CB 4.36Å; F30-N49 HydrophobicContact CD1-CB 4.46Å; F30-N49 HydrophobicContact CD2-CB 3.49Å; F30-N49 VanDerWaalsContact CD2-CB 3.49Å; F30-N49 HydrophobicContact CE2-CB 3.81Å; F30-N49 HydrophobicContact CG-CB 3.87Å; F30-N49 HydrophobicContact CZ-CB 4.41Å; F30-F50 HydrophobicContact CE1-CD2 4.26Å; F30-F50 HydrophobicContact CE1-CE1 4.42Å; F30-F50 AromaticContact CE1-CE2 3.92Å; F30-F50 HydrophobicContact CE1-CE2 3.92Å; F30-F50 HydrophobicContact CE1-CZ 4Å; F30-F50 HydrophobicContact CZ-CD2 4.05Å; F30-F50 AromaticContact CZ-CE2 3.77Å; F30-F50 HydrophobicContact CZ-CE2 3.77Å; F30-F50 HydrophobicContact CZ-CZ 4.3Å; F30-L53 HydrophobicContact CD1-CD1 3.79Å; F30-L53 HydrophobicContact CE1-CD1 4.39Å
31I94.8Very high92.9Very high82 Ų8285.7 Ų85.742%0.42141%0.411SS..Hα-helixtrans-57.7-47.8172.5-67.5163.8000110.1L27 K33 L34 E35L27-I31 WeakPolarHBondContact O-CG1 3.27Å; L27-I31 PolarHBondContact O-N 3.48Å; I31-K33 VanDerWaalsContact C-N 3.29Å; I31-K33 PolarHBondContact O-N 3.12Å; I31-L34 WeakPolarHBondContact O-CB 3.4Å; I31-L34 PolarHBondContact O-N 3.42Å; I31-E35 HydrophobicContact CG2-CG 4.29Å; I31-E35 WeakPolarHBondContact O-CG 3.41Å; I31-E35 PolarHBondContact O-N 2.99Å
32Y93.9Very high92.8Very high132 Ų13287.1 Ų87.152%0.51842%0.415SS..Hα-helixtrans-55.2-42.7177.4-179-92.7000112.7Q28 F30 E35 N36Q28-Y32 WeakPolarHBondContact O-CB 3.48Å; Q28-Y32 PolarHBondContact O-N 3.49Å; F30-Y32 VanDerWaalsContact C-N 3.35Å; F30-Y32 PolarHBondContact O-N 2.94Å; Y32-E35 PolarHBondContact O-N 3.35Å; Y32-N36 VanDerWaalsContact CD2-ND2 3.35Å; Y32-N36 WeakPolarHBondContact CD2-ND2 3.4Å; Y32-N36 HydrophobicContact CE1-CB 4.19Å; Y32-N36 HydrophobicContact CE2-CB 4.28Å; Y32-N36 WeakPolarHBondContact CE2-ND2 3.36Å; Y32-N36 VanDerWaalsContact O-CB 3.31Å; Y32-N36 WeakPolarHBondContact O-CB 3.47Å; Y32-N36 PolarHBondContact O-N 3.45Å; Y32-N36 PolarHBondContact O-ND2 2.95Å
33K92.7Very high92.7Very high63 Ų6390.9 Ų90.927%0.27442%0.423SS..Hα-helixtrans-67.2-39.1175.8-66.3168.4-166.71740112.6S29 F30 I31 E35 E37 Y38 N49S29-K33 WeakPolarHBondContact O-CD 3.31Å; S29-K33 WeakPolarHBondContact O-CE 3.37Å; S29-K33 VanDerWaalsContact O-CG 3.27Å; S29-K33 WeakPolarHBondContact O-CG 3.32Å; S29-K33 PolarHBondContact O-N 3.44Å; F30-K33 PolarHBondContact O-N 2.85Å; I31-K33 VanDerWaalsContact C-N 3.29Å; I31-K33 PolarHBondContact O-N 3.12Å; K33-E35 VanDerWaalsContact C-N 3.29Å; K33-E35 PolarHBondContact O-N 3.48Å; K33-E37 HydrophobicContact CB-CB 4.46Å; K33-E37 CarbonylContact O-C 3.6Å; K33-E37 WeakPolarHBondContact O-CA 3.49Å; K33-E37 WeakPolarHBondContact O-CB 3.4Å; K33-E37 PolarHBondContact O-N 3.05Å; K33-Y38 PolarHBondContact O-N 3Å; K33-N49 PolarHBondContact NZ-OD1 2.85Å
34L93.2Very high92.7Very high81 Ų8194.1 Ų94.142%0.42444%0.444SS..Hα-helixtrans-65.3-31.9176.2-72164.6000112.3F30 I31 L41F30-L34 HydrophobicContact CD1-CD1 4.09Å; F30-L34 HydrophobicContact CD2-CD1 4.16Å; F30-L34 HydrophobicContact CD2-CG 4.23Å; F30-L34 HydrophobicContact CE1-CD1 3.88Å; F30-L34 HydrophobicContact CE2-CD1 3.94Å; F30-L34 HydrophobicContact CE2-CD2 4.19Å; F30-L34 HydrophobicContact CE2-CG 3.97Å; F30-L34 HydrophobicContact CG-CD1 4.23Å; F30-L34 HydrophobicContact CZ-CD1 3.79Å; F30-L34 HydrophobicContact CZ-CD2 4.32Å; F30-L34 HydrophobicContact CZ-CG 4.25Å; F30-L34 WeakPolarHBondContact O-CG 3.42Å; F30-L34 PolarHBondContact O-N 3.34Å; I31-L34 WeakPolarHBondContact O-CB 3.4Å; I31-L34 PolarHBondContact O-N 3.42Å; L34-L41 HydrophobicContact CD2-CD2 3.63Å; L34-L41 HydrophobicContact CG-CD2 4.24Å
35E93.7Very high92.5Very high128 Ų12894.6 Ų94.660%0.59845%0.45SS*.Hα-helixtrans-88.6-37.3-179.2-68.6175159.200113.3I31 Y32 K33 Y38I31-E35 HydrophobicContact CG2-CG 4.29Å; I31-E35 WeakPolarHBondContact O-CG 3.41Å; I31-E35 PolarHBondContact O-N 2.99Å; Y32-E35 PolarHBondContact O-N 3.35Å; K33-E35 VanDerWaalsContact C-N 3.29Å; K33-E35 PolarHBondContact O-N 3.48Å; E35-Y38 WeakPolarHBondContact O-CD1 3.48Å
36N92.4Very high92.5Very high94 Ų9492 Ų9250%0.50344%0.436SS..Hα-helixtrans-111.7-20.8-169.1-59.7-95.1000113.9Y32Y32-N36 VanDerWaalsContact CD2-ND2 3.35Å; Y32-N36 WeakPolarHBondContact CD2-ND2 3.4Å; Y32-N36 HydrophobicContact CE1-CB 4.19Å; Y32-N36 HydrophobicContact CE2-CB 4.28Å; Y32-N36 WeakPolarHBondContact CE2-ND2 3.36Å; Y32-N36 VanDerWaalsContact O-CB 3.31Å; Y32-N36 WeakPolarHBondContact O-CB 3.47Å; Y32-N36 PolarHBondContact O-N 3.45Å; Y32-N36 PolarHBondContact O-ND2 2.95Å
37E90.8Very high92.4Very high87 Ų8795.4 Ų95.441%0.40745%0.452SS..SBendtrans-120.311.2-174.1-57.6-175175.100113.2K33 E39 R40 L41K33-E37 HydrophobicContact CB-CB 4.46Å; K33-E37 CarbonylContact O-C 3.6Å; K33-E37 WeakPolarHBondContact O-CA 3.49Å; K33-E37 WeakPolarHBondContact O-CB 3.4Å; K33-E37 PolarHBondContact O-N 3.05Å; E37-E39 VanDerWaalsContact C-N 3.26Å; E37-E39 PolarHBondContact O-N 3.09Å; E37-E39 VanDerWaalsContact O-N 3.12Å; E37-R40 CarbonylContact O-C 3.36Å; E37-R40 WeakPolarHBondContact O-CA 3.45Å; E37-R40 PolarHBondContact O-N 3.26Å; E37-L41 PolarHBondContact O-N 3.16Å
38Y85.1Confident92.4Very high153 Ų15396.5 Ų96.560%0.646%0.459SS*.THydrogen-bonded Turntrans-54.8-34.9-172.962.2-91.7000114.5K33 E35 R40 L41K33-Y38 PolarHBondContact O-N 3Å; E35-Y38 WeakPolarHBondContact O-CD1 3.48Å; Y38-R40 PolarHBondContact O-N 2.88Å; Y38-L41 PolarHBondContact O-N 3.39Å
39E87.6Confident92.4Very high164 Ų16491.9 Ų91.977%0.76644%0.437SS*.THydrogen-bonded Turntrans-63.9-21.1175.8-59.3-169.514600113.6E37E37-E39 VanDerWaalsContact C-N 3.26Å; E37-E39 PolarHBondContact O-N 3.09Å; E37-E39 VanDerWaalsContact O-N 3.12Å
40R87.1Confident92.5Very high214 Ų21494.2 Ų94.281%0.80844%0.44SS*.THydrogen-bonded Turntrans-110.4-10-177.4-61.1177.1-179.4-110.6-4.3112.6E37 Y38 T42E37-R40 CarbonylContact O-C 3.36Å; E37-R40 WeakPolarHBondContact O-CA 3.45Å; E37-R40 PolarHBondContact O-N 3.26Å; Y38-R40 PolarHBondContact O-N 2.88Å; R40-T42 PolarHBondContact O-N 2.93Å
41L89.7Confident92.5Very high38 Ų3895.8 Ų95.820%0.19946%0.46CS..  trans-79.6105.7-171-175.462.8000111.2L34 E37 Y38 N45 V46L34-L41 HydrophobicContact CD2-CD2 3.63Å; L34-L41 HydrophobicContact CG-CD2 4.24Å; E37-L41 PolarHBondContact O-N 3.16Å; Y38-L41 PolarHBondContact O-N 3.39Å; L41-N45 HydrophobicContact CD1-CB 4.11Å; L41-V46 HydrophobicContact CD1-CG2 4.22Å; L41-V46 HydrophobicContact CD2-CG2 3.86Å; L41-V46 HydrophobicContact CG-CG2 3.76Å
42T92.4Very high92.6Very high68 Ų6896.2 Ų96.242%0.41746%0.463SS..  trans-81.8151.5178.979.60000112R40 P44 N45 V46R40-T42 PolarHBondContact O-N 2.93Å; T42-P44 WeakPolarHBondContact OG1-CD 3.31Å; T42-N45 WeakPolarHBondContact O-CA 3.27Å; T42-N45 WeakPolarHBondContact O-CB 3.23Å; T42-N45 PolarHBondContact O-N 3.49Å; T42-N45 VanDerWaalsContact OG1-CG 3.29Å; T42-N45 PolarHBondContact OG1-OD1 3.32Å; T42-V46 PolarHBondContact O-N 2.93Å
43W92.7Very high92.7Very high176 Ų17690.6 Ų90.667%0.66744%0.441SS*.Hα-helixtrans-56.9-39.6177.5178.5-113.7000114.3N45 V46 L47W43-N45 VanDerWaalsContact C-N 3.31Å; W43-N45 PolarHBondContact O-N 3.44Å; W43-V46 HydrophobicContact CE3-CB 3.89Å; W43-V46 HydrophobicContact CE3-CG1 3.8Å; W43-V46 HydrophobicContact CE3-CG2 4.43Å; W43-V46 HydrophobicContact CZ3-CB 4.23Å; W43-V46 HydrophobicContact CZ3-CG1 3.6Å; W43-V46 WeakPolarHBondContact O-CB 3.19Å; W43-V46 PolarHBondContact O-N 3.39Å; W43-L47 HydrophobicContact CD2-CG 4.35Å; W43-L47 HydrophobicContact CH2-CD2 4.17Å; W43-L47 HydrophobicContact CZ2-CD1 4.41Å; W43-L47 HydrophobicContact CZ2-CD2 3.66Å; W43-L47 HydrophobicContact CZ2-CG 4.04Å; W43-L47 PolarHBondContact O-N 3.4Å
44P94.6Very high92.9Very high78 Ų7890.5 Ų90.551%0.50645%0.449SS..Hα-helixtrans-52.8-45.8167.9-29.636.5000113.2T42 V46 L47 D48T42-P44 WeakPolarHBondContact OG1-CD 3.31Å; P44-V46 VanDerWaalsContact C-N 3.34Å; P44-V46 PolarHBondContact O-N 3.49Å; P44-L47 WeakPolarHBondContact O-CB 3.29Å; P44-L47 PolarHBondContact O-N 3Å; P44-L47 VanDerWaalsContact O-N 3.15Å; P44-D48 PolarHBondContact O-N 3.28Å
45N91Very high93Very high68 Ų6888.4 Ų88.436%0.36445%0.447SS..Hα-helixtrans-66.4-35.9178.2-54.8131.1000112.2L41 T42 W43 L47 D48 N49L41-N45 HydrophobicContact CD1-CB 4.11Å; T42-N45 WeakPolarHBondContact O-CA 3.27Å; T42-N45 WeakPolarHBondContact O-CB 3.23Å; T42-N45 PolarHBondContact O-N 3.49Å; T42-N45 VanDerWaalsContact OG1-CG 3.29Å; T42-N45 PolarHBondContact OG1-OD1 3.32Å; W43-N45 VanDerWaalsContact C-N 3.31Å; W43-N45 PolarHBondContact O-N 3.44Å; N45-L47 VanDerWaalsContact C-N 3.34Å; N45-D48 PolarHBondContact O-N 2.84Å; N45-N49 PolarHBondContact O-N 3.32Å; N45-N49 VanDerWaalsContact O-N 3.08Å; N45-N49 PolarHBondContact O-ND2 3.41Å
46V93.8Very high93.1Very high18 Ų1883.9 Ų83.911%0.10943%0.426CS..Hα-helixtrans-57.8-48.6171.5173.60000110.2F30 L41 T42 W43 P44 D48 N49 F50F30-V46 HydrophobicContact CZ-CG1 4.2Å; L41-V46 HydrophobicContact CD1-CG2 4.22Å; L41-V46 HydrophobicContact CD2-CG2 3.86Å; L41-V46 HydrophobicContact CG-CG2 3.76Å; T42-V46 PolarHBondContact O-N 2.93Å; W43-V46 HydrophobicContact CE3-CB 3.89Å; W43-V46 HydrophobicContact CE3-CG1 3.8Å; W43-V46 HydrophobicContact CE3-CG2 4.43Å; W43-V46 HydrophobicContact CZ3-CB 4.23Å; W43-V46 HydrophobicContact CZ3-CG1 3.6Å; W43-V46 WeakPolarHBondContact O-CB 3.19Å; W43-V46 PolarHBondContact O-N 3.39Å; P44-V46 VanDerWaalsContact C-N 3.34Å; P44-V46 PolarHBondContact O-N 3.49Å; V46-D48 PolarHBondContact O-N 3.19Å; V46-N49 PolarHBondContact O-N 2.93Å; V46-F50 HydrophobicContact CG1-CD2 3.72Å; V46-F50 HydrophobicContact CG1-CE2 3.71Å; V46-F50 WeakPolarHBondContact O-CD2 3.3Å; V46-F50 PolarHBondContact O-N 2.76Å
47L95.3Very high93.3Very high84 Ų8483.7 Ų83.744%0.4442%0.424SS..Hα-helixtrans-61.9-38.3176.1-69.2177.9000113W43 P44 N45 F50 G51W43-L47 HydrophobicContact CD2-CG 4.35Å; W43-L47 HydrophobicContact CH2-CD2 4.17Å; W43-L47 HydrophobicContact CZ2-CD1 4.41Å; W43-L47 HydrophobicContact CZ2-CD2 3.66Å; W43-L47 HydrophobicContact CZ2-CG 4.04Å; W43-L47 PolarHBondContact O-N 3.4Å; P44-L47 WeakPolarHBondContact O-CB 3.29Å; P44-L47 PolarHBondContact O-N 3Å; P44-L47 VanDerWaalsContact O-N 3.15Å; N45-L47 VanDerWaalsContact C-N 3.34Å; L47-F50 PolarHBondContact O-N 3.44Å; L47-G51 PolarHBondContact O-N 3.12Å
48D95.2Very high93.5Very high104 Ų10483.4 Ų83.456%0.55643%0.425SS*.Hα-helixtrans-61.9-44.9176.6-63.6-37.8000111.7P44 N45 V46 G51 L52P44-D48 PolarHBondContact O-N 3.28Å; N45-D48 PolarHBondContact O-N 2.84Å; V46-D48 PolarHBondContact O-N 3.19Å; D48-G51 PolarHBondContact O-N 2.94Å; D48-L52 PolarHBondContact O-N 2.89Å
49N94.4Very high93.9Very high21 Ų2179.3 Ų79.311%0.11242%0.416CS..Hα-helixtrans-67.8-40177.3-67.6-93.3000110.9F30 K33 N45 V46 G51 L52 L53F30-N49 HydrophobicContact CB-CB 4.36Å; F30-N49 HydrophobicContact CD1-CB 4.46Å; F30-N49 HydrophobicContact CD2-CB 3.49Å; F30-N49 VanDerWaalsContact CD2-CB 3.49Å; F30-N49 HydrophobicContact CE2-CB 3.81Å; F30-N49 HydrophobicContact CG-CB 3.87Å; F30-N49 HydrophobicContact CZ-CB 4.41Å; K33-N49 PolarHBondContact NZ-OD1 2.85Å; N45-N49 PolarHBondContact O-N 3.32Å; N45-N49 VanDerWaalsContact O-N 3.08Å; N45-N49 PolarHBondContact O-ND2 3.41Å; V46-N49 PolarHBondContact O-N 2.93Å; N49-G51 VanDerWaalsContact C-N 3.35Å; N49-G51 PolarHBondContact O-N 2.68Å; N49-L52 PolarHBondContact O-N 2.96Å; N49-L53 VanDerWaalsContact O-CG 3.3Å; N49-L53 WeakPolarHBondContact O-CG 3.47Å; N49-L53 PolarHBondContact O-N 3.32Å
50F96.1Very high94.2Very high112 Ų11272.4 Ų72.449%0.49138%0.384SS..Hα-helixtrans-62.9-38172-88.3-68.5000112.9F30 V46 L47 L53 S54F30-F50 HydrophobicContact CE1-CD2 4.26Å; F30-F50 HydrophobicContact CE1-CE1 4.42Å; F30-F50 AromaticContact CE1-CE2 3.92Å; F30-F50 HydrophobicContact CE1-CE2 3.92Å; F30-F50 HydrophobicContact CE1-CZ 4Å; F30-F50 HydrophobicContact CZ-CD2 4.05Å; F30-F50 AromaticContact CZ-CE2 3.77Å; F30-F50 HydrophobicContact CZ-CE2 3.77Å; F30-F50 HydrophobicContact CZ-CZ 4.3Å; V46-F50 HydrophobicContact CG1-CD2 3.72Å; V46-F50 HydrophobicContact CG1-CE2 3.71Å; V46-F50 WeakPolarHBondContact O-CD2 3.3Å; V46-F50 PolarHBondContact O-N 2.76Å; L47-F50 PolarHBondContact O-N 3.44Å; F50-L53 PolarHBondContact O-N 3.37Å; F50-S54 VanDerWaalsContact O-CB 3.23Å; F50-S54 WeakPolarHBondContact O-CB 3.42Å; F50-S54 PolarHBondContact O-N 2.87Å
51G96.5Very high94.4Very high46 Ų4665.6 Ų65.647%0.47436%0.364SS..Hα-helixtrans-63.5-43.5175.500000112.3L47 D48 N49 G55L47-G51 PolarHBondContact O-N 3.12Å; D48-G51 PolarHBondContact O-N 2.94Å; N49-G51 VanDerWaalsContact C-N 3.35Å; N49-G51 PolarHBondContact O-N 2.68Å; G51-G55 PolarHBondContact O-N 3.5Å
52L95.9Very high94.5Very high92 Ų9271 Ų7148%0.48239%0.386SS..Hα-helixtrans-60.1-51.3173.4175.961.4000111.8A26 D48 N49 S54 G55 Q56A26-L52 HydrophobicContact CB-CD2 4.28Å; D48-L52 PolarHBondContact O-N 2.89Å; N49-L52 PolarHBondContact O-N 2.96Å; L52-S54 PolarHBondContact O-N 2.98Å; L52-G55 PolarHBondContact O-N 3.38Å; L52-G55 VanDerWaalsContact O-N 3.14Å; L52-Q56 HydrophobicContact CD1-CG 4.33Å; L52-Q56 WeakPolarHBondContact O-CG 3.45Å; L52-Q56 PolarHBondContact O-N 3.04Å
53L96.6Very high94.4Very high13 Ų1369 Ų697%0.06837%0.372CS..Hα-helixtrans-60.4-45.2179.3-71.2170000111.8A26 L27 F30 N49 F50 G55 Q56 L57A26-L53 HydrophobicContact CB-CD2 3.75Å; L27-L53 HydrophobicContact CB-CD2 4.49Å; L27-L53 HydrophobicContact CD2-CD1 3.84Å; L27-L53 HydrophobicContact CD2-CD2 3.66Å; L27-L53 HydrophobicContact CD2-CG 4.39Å; L27-L53 HydrophobicContact CG-CD2 3.67Å; F30-L53 HydrophobicContact CD1-CD1 3.79Å; F30-L53 HydrophobicContact CE1-CD1 4.39Å; N49-L53 VanDerWaalsContact O-CG 3.3Å; N49-L53 WeakPolarHBondContact O-CG 3.47Å; N49-L53 PolarHBondContact O-N 3.32Å; F50-L53 PolarHBondContact O-N 3.37Å; L53-G55 VanDerWaalsContact C-N 3.33Å; L53-G55 PolarHBondContact O-N 3.3Å; L53-Q56 PolarHBondContact O-N 2.96Å; L53-L57 WeakPolarHBondContact O-CB 3.35Å; L53-L57 WeakPolarHBondContact O-CG 3.45Å; L53-L57 PolarHBondContact O-N 3.15Å
54S96.3Very high94.2Very high62 Ų6264.5 Ų64.543%0.43436%0.361SS..Hα-helixtrans-60.3-41.5174.1-1770000111.8F50 L52 N58F50-S54 VanDerWaalsContact O-CB 3.23Å; F50-S54 WeakPolarHBondContact O-CB 3.42Å; F50-S54 PolarHBondContact O-N 2.87Å; L52-S54 PolarHBondContact O-N 2.98Å; S54-N58 VanDerWaalsContact O-CB 3.25Å; S54-N58 WeakPolarHBondContact O-CB 3.35Å; S54-N58 PolarHBondContact O-N 2.97Å; S54-N58 PolarHBondContact O-ND2 2.89Å; S54-N58 PolarHBondContact OG-ND2 3.2Å
55G96.4Very high93.8Very high37 Ų3768 Ų6838%0.38137%0.368SS..Hα-helixtrans-62.1-42.7175.200000113.3G51 L52 L53 T59G51-G55 PolarHBondContact O-N 3.5Å; L52-G55 PolarHBondContact O-N 3.38Å; L52-G55 VanDerWaalsContact O-N 3.14Å; L53-G55 VanDerWaalsContact C-N 3.33Å; L53-G55 PolarHBondContact O-N 3.3Å; G55-T59 WeakPolarHBondContact O-CB 3.44Å; G55-T59 PolarHBondContact O-N 3.33Å; G55-T59 PolarHBondContact O-OG1 2.84Å
56Q95.3Very high93.4Very high33 Ų3368.3 Ų68.315%0.15437%0.369CS..Hα-helixtrans-66.9-48.1177.2-70.4174.3-35.500111.8L22 T23 L52 L53 N58 T59 I60L22-Q56 PolarHBondContact O-NE2 2.9Å; L22-Q56 VanDerWaalsContact O-NE2 3.13Å; T23-Q56 HydrophobicContact CG2-CB 4.42Å; L52-Q56 HydrophobicContact CD1-CG 4.33Å; L52-Q56 WeakPolarHBondContact O-CG 3.45Å; L52-Q56 PolarHBondContact O-N 3.04Å; L53-Q56 PolarHBondContact O-N 2.96Å; Q56-N58 VanDerWaalsContact C-N 3.31Å; Q56-N58 PolarHBondContact O-N 3.45Å; Q56-T59 WeakPolarHBondContact O-CA 3.34Å; Q56-T59 WeakPolarHBondContact O-CB 3.5Å; Q56-T59 PolarHBondContact O-N 3.33Å; Q56-I60 PolarHBondContact O-N 3.01Å
57L95.6Very high92.3Very high89 Ų8976.8 Ų76.847%0.46641%0.408SS..Hα-helixtrans-62.4-35.7175.8-69.7172000112.6T23 L53 T59 N61T23-L57 HydrophobicContact CG2-CD2 4.04Å; T23-L57 HydrophobicContact CG2-CG 4.33Å; L53-L57 WeakPolarHBondContact O-CB 3.35Å; L53-L57 WeakPolarHBondContact O-CG 3.45Å; L53-L57 PolarHBondContact O-N 3.15Å; L57-T59 VanDerWaalsContact C-N 3.32Å; L57-N61 WeakPolarHBondContact O-CB 3.44Å; L57-N61 PolarHBondContact O-N 3.48Å; L57-N61 PolarHBondContact O-ND2 2.78Å
58N95.4Very high91.2Very high82 Ų8280.7 Ų80.744%0.43942%0.421SS..Hα-helixtrans-67.6-31.5171.3-87.6-75.4000112.4S54 Q56 K62S54-N58 VanDerWaalsContact O-CB 3.25Å; S54-N58 WeakPolarHBondContact O-CB 3.35Å; S54-N58 PolarHBondContact O-N 2.97Å; S54-N58 PolarHBondContact O-ND2 2.89Å; S54-N58 PolarHBondContact OG-ND2 3.2Å; Q56-N58 VanDerWaalsContact C-N 3.31Å; Q56-N58 PolarHBondContact O-N 3.45Å; N58-K62 WeakPolarHBondContact O-CB 3.5Å; N58-K62 VanDerWaalsContact O-CG 3.26Å; N58-K62 WeakPolarHBondContact O-CG 3.42Å; N58-K62 PolarHBondContact O-N 3.07Å
59T94.3Very high90Very high66 Ų6676.8 Ų76.841%0.40540%0.401SS..Hα-helixtrans-71.6-44176.8-58.30000111L19 G55 Q56 L57 N61 K62 M63L19-T59 HydrophobicContact CD1-CG2 4.36Å; L19-T59 HydrophobicContact CD2-CG2 3.9Å; G55-T59 WeakPolarHBondContact O-CB 3.44Å; G55-T59 PolarHBondContact O-N 3.33Å; G55-T59 PolarHBondContact O-OG1 2.84Å; Q56-T59 WeakPolarHBondContact O-CA 3.34Å; Q56-T59 WeakPolarHBondContact O-CB 3.5Å; Q56-T59 PolarHBondContact O-N 3.33Å; L57-T59 VanDerWaalsContact C-N 3.32Å; T59-N61 PolarHBondContact O-N 3.01Å; T59-K62 PolarHBondContact O-N 3.5Å; T59-M63 PolarHBondContact O-N 3.05Å
60I93.6Very high89.1Confident20 Ų2077.2 Ų77.210%0.10341%0.405CS..Hα-helixtrans-58.1-47.7170.6-67.3169000110.4L16 L19 V20 T23 Q56 K62 M63 L64L16-I60 HydrophobicContact CD1-CG2 4.11Å; L19-I60 HydrophobicContact CB-CD1 4.32Å; L19-I60 HydrophobicContact CB-CG1 3.76Å; L19-I60 HydrophobicContact CD1-CG1 4.4Å; V20-I60 HydrophobicContact CG2-CD1 4.22Å; T23-I60 WeakPolarHBondContact OG1-CD1 3.45Å; Q56-I60 PolarHBondContact O-N 3.01Å; I60-K62 VanDerWaalsContact C-N 3.33Å; I60-K62 PolarHBondContact O-N 3.36Å; I60-M63 PolarHBondContact O-N 3.38Å; I60-M63 VanDerWaalsContact O-N 3.16Å; I60-L64 HydrophobicContact CG2-CD1 3.73Å; I60-L64 HydrophobicContact CG2-CG 4.28Å; I60-L64 WeakPolarHBondContact O-CG 3.36Å; I60-L64 PolarHBondContact O-N 2.86Å
61N92.1Very high88.1Confident71 Ų7174.7 Ų74.738%0.3840%0.402SS..Hα-helixtrans-58.9-39.8176.8-96.1-85.9000113.4L57 T59 K65L57-N61 WeakPolarHBondContact O-CB 3.44Å; L57-N61 PolarHBondContact O-N 3.48Å; L57-N61 PolarHBondContact O-ND2 2.78Å; T59-N61 PolarHBondContact O-N 3.01Å; N61-K65 WeakPolarHBondContact O-CB 3.48Å; N61-K65 WeakPolarHBondContact O-CD 3.49Å; N61-K65 WeakPolarHBondContact O-CG 3.37Å; N61-K65 PolarHBondContact O-N 3.47Å; N61-K65 PolarHBondContact OD1-NZ 3.1Å
62K91.7Very high87.4Confident152 Ų15275.2 Ų75.266%0.66139%0.391SS*.Hα-helixtrans-66.9-40.5175.6-76.8169.1-177.9177.40111.6N58 T59 I60 K65 N66N58-K62 WeakPolarHBondContact O-CB 3.5Å; N58-K62 VanDerWaalsContact O-CG 3.26Å; N58-K62 WeakPolarHBondContact O-CG 3.42Å; N58-K62 PolarHBondContact O-N 3.07Å; T59-K62 PolarHBondContact O-N 3.5Å; I60-K62 VanDerWaalsContact C-N 3.33Å; I60-K62 PolarHBondContact O-N 3.36Å; K62-K65 PolarHBondContact O-N 3.33Å; K62-N66 WeakPolarHBondContact O-CB 3.33Å; K62-N66 PolarHBondContact O-N 2.79Å
63M89.6Confident86.6Confident25 Ų2581.5 Ų81.512%0.12341%0.408CS..Hα-helixtrans-64.5-47.2177-164.4-14277.200111.6L16 L19 T59 I60 K65 N66 T69 F72L16-M63 HydrophobicContact CB-CE 3.98Å; L16-M63 HydrophobicContact CB-SD 4.16Å; L16-M63 HydrophobicContact CD1-CE 3.89Å; L16-M63 HydrophobicContact CD1-SD 4.38Å; L16-M63 HydrophobicContact CD2-CE 4.36Å; L16-M63 HydrophobicContact CG-CE 4.29Å; L19-M63 HydrophobicContact CD1-CB 4.33Å; L19-M63 HydrophobicContact CD1-CG 4.46Å; L19-M63 HydrophobicContact CD1-SD 4.03Å; T59-M63 PolarHBondContact O-N 3.05Å; I60-M63 PolarHBondContact O-N 3.38Å; I60-M63 VanDerWaalsContact O-N 3.16Å; M63-K65 PolarHBondContact O-N 3.49Å; M63-N66 WeakPolarHBondContact O-CB 3.3Å; M63-N66 PolarHBondContact O-N 2.98Å; M63-T69 HydrophobicContact CE-CG2 4.25Å; M63-T69 PolarHBondContact O-OG1 3.44Å; M63-F72 HydrophobicContact CE-CE2 4.03Å
64L87.8Confident85.8Confident81 Ų8185.4 Ų85.442%0.42444%0.437SS..Hα-helixtrans-68.8-15.6179-66.6173.4000114.2L16 I60 F72L16-L64 HydrophobicContact CD1-CD2 4.35Å; L16-L64 HydrophobicContact CD2-CD2 4.16Å; I60-L64 HydrophobicContact CG2-CD1 3.73Å; I60-L64 HydrophobicContact CG2-CG 4.28Å; I60-L64 WeakPolarHBondContact O-CG 3.36Å; I60-L64 PolarHBondContact O-N 2.86Å; L64-F72 HydrophobicContact CD2-CD2 3.97Å; L64-F72 HydrophobicContact CD2-CE2 3.97Å
65K86.6Confident85.2Confident153 Ų15386.8 Ų86.867%0.66544%0.436SS*.THydrogen-bonded Turntrans-103.72.3176.4-66.7172.3-172.51740113.2N61 K62 M63N61-K65 WeakPolarHBondContact O-CB 3.48Å; N61-K65 WeakPolarHBondContact O-CD 3.49Å; N61-K65 WeakPolarHBondContact O-CG 3.37Å; N61-K65 PolarHBondContact O-N 3.47Å; N61-K65 PolarHBondContact OD1-NZ 3.1Å; K62-K65 PolarHBondContact O-N 3.33Å; M63-K65 PolarHBondContact O-N 3.49Å
66N83.8Confident84.8Confident73 Ų7390.8 Ų90.839%0.3945%0.453SS..  trans-80.9123.5-177.8-178.86.9000111.2K62 M63 K68 T69K62-N66 WeakPolarHBondContact O-CB 3.33Å; K62-N66 PolarHBondContact O-N 2.79Å; M63-N66 WeakPolarHBondContact O-CB 3.3Å; M63-N66 PolarHBondContact O-N 2.98Å; N66-K68 PolarHBondContact O-N 3.18Å; N66-K68 VanDerWaalsContact O-N 3.11Å; N66-K68 WeakPolarHBondContact OD1-CB 3.45Å; N66-K68 PolarHBondContact OD1-N 3.39Å; N66-T69 WeakPolarHBondContact O-CB 3.48Å; N66-T69 PolarHBondContact O-N 2.97Å
67E70.6Confident84.4Confident197 Ų19796.1 Ų96.192%0.92148%0.481SS*.THydrogen-bonded Turntrans-61.9-18.9177.7-58.6-178.2145.900113.7
68K71.1Confident84.1Confident166 Ų16697.6 Ų97.672%0.72249%0.488SS*.THydrogen-bonded Turntrans-82.6-12174.5-60.9-178.2179.8178.30113.7Q8 N66Q8-K68 PolarHBondContact NE2-O 3.01Å; N66-K68 PolarHBondContact O-N 3.18Å; N66-K68 VanDerWaalsContact O-N 3.11Å; N66-K68 WeakPolarHBondContact OD1-CB 3.45Å; N66-K68 PolarHBondContact OD1-N 3.39Å
69T70.6Confident83.8Confident22 Ų2295.8 Ų95.814%0.13548%0.481CS..SBendtrans-87.7131.1174.5-65.80000108.5M63 N66 F72M63-T69 HydrophobicContact CE-CG2 4.25Å; M63-T69 PolarHBondContact O-OG1 3.44Å; N66-T69 WeakPolarHBondContact O-CB 3.48Å; N66-T69 PolarHBondContact O-N 2.97Å; T69-F72 HydrophobicContact CG2-CD2 4.41Å; T69-F72 HydrophobicContact CG2-CE2 3.63Å; T69-F72 HydrophobicContact CG2-CZ 4.13Å
70P75.2Confident83.5Confident29 Ų29100.8 Ų100.819%0.18850%0.504CS..  trans-54.5142.1177.5-27.937.6000112.1Q8 L9 S12 F72Q8-P70 HydrophobicContact CB-CG 4.31Å; Q8-P70 HydrophobicContact CG-CG 3.84Å; L9-P70 HydrophobicContact CB-CG 4.49Å; L9-P70 HydrophobicContact CD1-CB 4.24Å; S12-P70 VanDerWaalsContact OG-CD 3.24Å; S12-P70 WeakPolarHBondContact OG-CD 3.46Å; P70-F72 PolarHBondContact O-N 3.42Å
71S75.1Confident83.2Confident60 Ų60105.4 Ų105.442%0.4253%0.533SS..  trans-70.895.1-178176.70000111.1R73 S74S71-R73 PolarHBondContact O-N 3.29Å; S71-R73 VanDerWaalsContact O-N 3.08Å; S71-S74 WeakPolarHBondContact CB-OG 3.19Å; S71-S74 PolarHBondContact O-N 2.71Å; S71-S74 VanDerWaalsContact O-N 3.08Å; S71-S74 PolarHBondContact O-OG 3Å; S71-S74 PolarHBondContact OG-OG 3.13Å
72F81.5Confident83.2Confident57 Ų57104.6 Ų104.625%0.2553%0.529CS..G310 helixtrans-55-23.8170.5-59.4-64.8000112.6L9 V13 M63 L64 T69 P70 S74 Q75L9-F72 HydrophobicContact CD1-CD1 3.94Å; L9-F72 HydrophobicContact CD1-CE1 3.62Å; V13-F72 HydrophobicContact CG2-CE1 3.84Å; V13-F72 HydrophobicContact CG2-CZ 4.48Å; M63-F72 HydrophobicContact CE-CE2 4.03Å; L64-F72 HydrophobicContact CD2-CD2 3.97Å; L64-F72 HydrophobicContact CD2-CE2 3.97Å; T69-F72 HydrophobicContact CG2-CD2 4.41Å; T69-F72 HydrophobicContact CG2-CE2 3.63Å; T69-F72 HydrophobicContact CG2-CZ 4.13Å; P70-F72 PolarHBondContact O-N 3.42Å; F72-S74 PolarHBondContact O-N 3.08Å; F72-Q75 PolarHBondContact O-N 2.69Å; F72-Q75 VanDerWaalsContact O-N 3.15Å
73R79.3Confident83.1Confident223 Ų22399.6 Ų99.684%0.84251%0.513SS*.G310 helixtrans-64-21.1176.7-58.6-170-174.397.5-1114.4S71 Q75S71-R73 PolarHBondContact O-N 3.29Å; S71-R73 VanDerWaalsContact O-N 3.08Å; R73-Q75 VanDerWaalsContact C-N 3.34Å
74S80.9Confident83.1Confident96 Ų96105.8 Ų105.867%0.67154%0.542SS*.G310 helixtrans-96.314.6177.733.50000112.9S71 F72S71-S74 WeakPolarHBondContact CB-OG 3.19Å; S71-S74 PolarHBondContact O-N 2.71Å; S71-S74 VanDerWaalsContact O-N 3.08Å; S71-S74 PolarHBondContact O-OG 3Å; S71-S74 PolarHBondContact OG-OG 3.13Å; F72-S74 PolarHBondContact O-N 3.08Å
75Q83.8Confident83.4Confident90 Ų90109.6 Ų109.642%0.42156%0.555SS.*  trans-125.3149.3-179.6-63.6176.7-11.300109.9L9 F72 R73L9-Q75 VanDerWaalsContact CD1-OE1 3.27Å; F72-Q75 PolarHBondContact O-N 2.69Å; F72-Q75 VanDerWaalsContact O-N 3.15Å; R73-Q75 VanDerWaalsContact C-N 3.34Å
76V86.6Confident83.6Confident122 Ų122107 Ų10774%0.73955%0.553SS**  trans-128126.9-179.2-174.30000108.1I78V76-I78 HydrophobicContact CG1-CD1 4.25Å; V76-I78 HydrophobicContact CG1-CG1 3.87Å
77I88.3Confident83.9Confident145 Ų145107.1 Ų107.174%0.74455%0.554SS**  trans-86.1124.8173.9-60.7174.6000107.7L110I77-L110 HydrophobicContact CG2-CD2 4.14Å
78I88.6Confident85Confident120 Ų120103.8 Ų103.862%0.61554%0.543SS*.  trans-133.1127.1179.1-53.9179.9000107.8V76 L80V76-I78 HydrophobicContact CG1-CD1 4.25Å; V76-I78 HydrophobicContact CG1-CG1 3.87Å; I78-L80 PolarHBondContact O-N 3.47Å
79P89.5Confident85.9Confident44 Ų44101.9 Ų101.929%0.28654%0.54SS..  trans-60.3123.8171.8-22.833.4000111.4L82 F101 V106 L110P79-L82 HydrophobicContact CB-CD2 3.53Å; P79-L82 HydrophobicContact CB-CG 4.05Å; P79-L82 HydrophobicContact CG-CD2 4.12Å; P79-F101 HydrophobicContact CB-CE1 4.16Å; P79-F101 HydrophobicContact CG-CE1 4.12Å; P79-V106 HydrophobicContact CG-CG1 3.97Å; P79-L110 HydrophobicContact CG-CD1 3.63Å
80L87.6Confident86.8Confident170 Ų170102.8 Ų102.889%0.8954%0.544SS*.SBendtrans-79.9-32.7176.8-59.9-180000112.3I78I78-L80 PolarHBondContact O-N 3.47Å
81V87.8Confident87.5Confident118 Ų118102.8 Ų102.872%0.71554%0.543SS*.  trans-141.1139.8178.4179.90000107.8
82L90.8Very high88.4Confident53 Ų53105.3 Ų105.328%0.27756%0.556SS.*  trans-119.6139.2169.7-64.2-178.4000109P79 F101 H103 V106P79-L82 HydrophobicContact CB-CD2 3.53Å; P79-L82 HydrophobicContact CB-CG 4.05Å; P79-L82 HydrophobicContact CG-CD2 4.12Å; L82-F101 WeakPolarHBondContact CA-O 3.5Å; L82-F101 HydrophobicContact CD2-CD1 3.6Å; L82-F101 HydrophobicContact CD2-CE1 3.86Å; L82-H103 WeakPolarHBondContact CD1-ND1 3.49Å; L82-V106 HydrophobicContact CD1-CG2 4.25Å; L82-V106 HydrophobicContact CD2-CG2 3.41Å; L82-V106 VanDerWaalsContact CD2-CG2 3.41Å; L82-V106 HydrophobicContact CG-CG2 4.48Å
83S89.4Confident88.6Confident48 Ų48109.2 Ų109.234%0.33658%0.579SS.*  trans-138.6141.8-169.5179.80000110.9K85 V100 F101 S102S83-K85 WeakPolarHBondContact OG-CB 3.42Å; S83-K85 PolarHBondContact OG-N 3.49Å; S83-K85 PolarHBondContact OG-O 2.63Å; S83-V100 WeakPolarHBondContact O-CG1 3.48Å; S83-F101 PolarHBondContact N-O 2.96Å; S83-F101 CarbonylContact O-C 3.58Å; S83-F101 VanDerWaalsContact O-O 3.11Å; S83-S102 WeakPolarHBondContact O-CA 3.48Å; S83-S102 PolarHBondContact O-N 2.97Å
84Q90.9Very high89Confident155 Ų15599.7 Ų99.772%0.72455%0.546SS*.SBendtrans-95.4-3.9166.2-73-177.1-24.700112.7
85K92.8Very high89.4Confident161 Ų161100.1 Ų100.170%0.754%0.537SS*.SBendtrans-80.4145.4173.1-61.9-178.3179.7179.40109.8S83S83-K85 WeakPolarHBondContact OG-CB 3.42Å; S83-K85 PolarHBondContact OG-N 3.49Å; S83-K85 PolarHBondContact OG-O 2.63Å
86P91Very high89.7Confident98 Ų98103.6 Ų103.664%0.63655%0.553SS**  trans-54.3147.5166.4-25.835.5000112.5P99 V100P86-P99 CarbonylContact C-O 3.22Å; P86-P99 VanDerWaalsContact CA-O 3.23Å; P86-P99 WeakPolarHBondContact CA-O 3.42Å; P86-V100 HydrophobicContact CG-CG2 4.38Å
87D91.5Very high89.7Confident76 Ų76104.9 Ų104.941%0.40655%0.545SS..  trans-126.6107.7176.2-176.9-37.4000107.4D89 L90 T91 P99D87-D89 PolarHBondContact OD1-N 3.26Å; D87-L90 HydrophobicContact CB-CB 3.81Å; D87-L90 HydrophobicContact CB-CD2 4.45Å; D87-L90 PolarHBondContact O-N 2.94Å; D87-L90 WeakPolarHBondContact OD1-CB 3.23Å; D87-L90 PolarHBondContact OD1-N 2.98Å; D87-T91 WeakPolarHBondContact O-CB 3.45Å; D87-T91 PolarHBondContact O-N 3.33Å; D87-T91 PolarHBondContact O-OG1 2.8Å; D87-P99 PolarHBondContact N-O 3.49Å
88D91.9Very high89.8Confident127 Ų12798.4 Ų98.468%0.67951%0.512SS*.Hα-helixtrans-68.7-35.3-173.6-67.5-42.1000111.8T91 V92D88-T91 WeakPolarHBondContact O-CB 3.25Å; D88-T91 PolarHBondContact O-N 3.46Å; D88-V92 WeakPolarHBondContact O-CG2 3.27Å; D88-V92 PolarHBondContact O-N 3.33Å
89D91.2Very high89.8Confident125 Ų12595.8 Ų95.867%0.66850%0.503SS*.Hα-helixtrans-68.2-44.1177.4-73.8-30.8000110.4D87 T91 V92 L93D87-D89 PolarHBondContact OD1-N 3.26Å; D89-T91 VanDerWaalsContact C-N 3.33Å; D89-T91 PolarHBondContact O-N 3.49Å; D89-V92 PolarHBondContact O-N 3.15Å; D89-L93 WeakPolarHBondContact O-CB 3.44Å; D89-L93 VanDerWaalsContact O-CG 3.25Å; D89-L93 WeakPolarHBondContact O-CG 3.42Å; D89-L93 PolarHBondContact O-N 3.42Å
90L88.7Confident89.9Confident42 Ų4295.4 Ų95.422%0.2250%0.5CS..Hα-helixtrans-63.2-39172.7-172.268.9000111.8D87 V92 L93 T94 V98 F101D87-L90 HydrophobicContact CB-CB 3.81Å; D87-L90 HydrophobicContact CB-CD2 4.45Å; D87-L90 PolarHBondContact O-N 2.94Å; D87-L90 WeakPolarHBondContact OD1-CB 3.23Å; D87-L90 PolarHBondContact OD1-N 2.98Å; L90-V92 VanDerWaalsContact C-N 3.34Å; L90-V92 PolarHBondContact O-N 2.78Å; L90-L93 PolarHBondContact O-N 3.24Å; L90-T94 HydrophobicContact CD1-CG2 3.93Å; L90-T94 HydrophobicContact CG-CG2 4.28Å; L90-T94 WeakPolarHBondContact O-CB 3.44Å; L90-T94 WeakPolarHBondContact O-CG2 3.35Å; L90-T94 PolarHBondContact O-N 3.08Å; L90-T94 PolarHBondContact O-OG1 2.99Å; L90-V98 HydrophobicContact CD2-CB 4.32Å; L90-V98 HydrophobicContact CD2-CG1 3.77Å; L90-V98 HydrophobicContact CG-CB 4.34Å; L90-V98 HydrophobicContact CG-CG1 4.31Å; L90-V98 WeakPolarHBondContact CG-O 3.33Å; L90-F101 HydrophobicContact CD2-CB 3.88Å; L90-F101 HydrophobicContact CD2-CG 4.5Å
91T90.8Very high90.1Very high28 Ų2889.8 Ų89.817%0.17247%0.468CS..Hα-helixtrans-61.2-43.3175.9-59.60000111D87 D88 D89 E95 Q96 P99D87-T91 WeakPolarHBondContact O-CB 3.45Å; D87-T91 PolarHBondContact O-N 3.33Å; D87-T91 PolarHBondContact O-OG1 2.8Å; D88-T91 WeakPolarHBondContact O-CB 3.25Å; D88-T91 PolarHBondContact O-N 3.46Å; D89-T91 VanDerWaalsContact C-N 3.33Å; D89-T91 PolarHBondContact O-N 3.49Å; T91-E95 PolarHBondContact O-N 2.88Å; T91-Q96 HydrophobicContact CG2-CB 4.48Å; T91-Q96 HydrophobicContact CG2-CG 4.06Å; T91-Q96 PolarHBondContact O-N 3.38Å; T91-P99 WeakPolarHBondContact OG1-CA 3.42Å
92V92.9Very high90.3Very high113 Ų11384.5 Ų84.569%0.68544%0.436SS*.Hα-helixtrans-68.4-51.1176.2170.20000111.1D88 D89 L90 T94 E95D88-V92 WeakPolarHBondContact O-CG2 3.27Å; D88-V92 PolarHBondContact O-N 3.33Å; D89-V92 PolarHBondContact O-N 3.15Å; L90-V92 VanDerWaalsContact C-N 3.34Å; L90-V92 PolarHBondContact O-N 2.78Å; V92-T94 VanDerWaalsContact C-N 3.27Å; V92-T94 PolarHBondContact O-N 3.08Å; V92-E95 PolarHBondContact O-N 3.43Å; V92-E95 VanDerWaalsContact O-N 3.14Å
93L87.1Confident90.4Very high140 Ų14088.7 Ų88.773%0.73345%0.454SS*.Hα-helixtrans-62.4-31.1-177.5-73.3169.9000113.5D89 L90D89-L93 WeakPolarHBondContact O-CB 3.44Å; D89-L93 VanDerWaalsContact O-CG 3.25Å; D89-L93 WeakPolarHBondContact O-CG 3.42Å; D89-L93 PolarHBondContact O-N 3.42Å; L90-L93 PolarHBondContact O-N 3.24Å
94T87.7Confident90.4Very high23 Ų2393.4 Ų93.414%0.14147%0.471CS..THydrogen-bonded Turntrans-94.42.917964.90000114L90 V92 R97 V98L90-T94 HydrophobicContact CD1-CG2 3.93Å; L90-T94 HydrophobicContact CG-CG2 4.28Å; L90-T94 WeakPolarHBondContact O-CB 3.44Å; L90-T94 WeakPolarHBondContact O-CG2 3.35Å; L90-T94 PolarHBondContact O-N 3.08Å; L90-T94 PolarHBondContact O-OG1 2.99Å; V92-T94 VanDerWaalsContact C-N 3.27Å; V92-T94 PolarHBondContact O-N 3.08Å; T94-R97 WeakPolarHBondContact O-CB 3.4Å; T94-R97 PolarHBondContact O-N 2.92Å; T94-R97 PolarHBondContact O-NE 3.29Å; T94-R97 PolarHBondContact O-NH2 2.9Å; T94-V98 HydrophobicContact CG2-CB 3.88Å; T94-V98 HydrophobicContact CG2-CG2 3.85Å; T94-V98 PolarHBondContact OG1-N 3.45Å; T94-V98 PolarHBondContact OG1-O 2.96Å
95E89.3Confident90.4Very high104 Ų10488.3 Ų88.349%0.48645%0.448SS..THydrogen-bonded Turntrans57.551.9-177.1-57.2163134.900111.4K24 T91 V92 R97K24-E95 IonicContact NZ-OE1 2.71Å; K24-E95 PolarHBondContact NZ-OE1 2.87Å; K24-E95 IonicContact NZ-OE2 3.92Å; K24-E95 PolarHBondContact NZ-OE2 2.9Å; T91-E95 PolarHBondContact O-N 2.88Å; V92-E95 PolarHBondContact O-N 3.43Å; V92-E95 VanDerWaalsContact O-N 3.14Å; E95-R97 PolarHBondContact O-N 2.82Å; E95-R97 VanDerWaalsContact O-N 3.08Å; E95-R97 IonicContact OE2-NH2 3.68Å
96Q89.8Confident90.3Very high164 Ų16481.6 Ų81.677%0.76642%0.42SS*.THydrogen-bonded Turntrans63.66-180-56.2178.2-9.800115.6T91T91-Q96 HydrophobicContact CG2-CB 4.48Å; T91-Q96 HydrophobicContact CG2-CG 4.06Å; T91-Q96 PolarHBondContact O-N 3.38Å
97R86.8Confident90.3Very high148 Ų14880.8 Ų80.856%0.55842%0.416SS*.SBendtrans-76.6-26.9179.6-66.6177.6-69.7142.11.1114.1T94 E95 Y109T94-R97 WeakPolarHBondContact O-CB 3.4Å; T94-R97 PolarHBondContact O-N 2.92Å; T94-R97 PolarHBondContact O-NE 3.29Å; T94-R97 PolarHBondContact O-NH2 2.9Å; E95-R97 PolarHBondContact O-N 2.82Å; E95-R97 VanDerWaalsContact O-N 3.08Å; E95-R97 IonicContact OE2-NH2 3.68Å; R97-Y109 PolarHBondContact O-OH 2.93Å
98V90.1Very high90.3Very high9 Ų982.4 Ų82.46%0.05542%0.424CS..  trans-130.986.4-179.4-166.30000109.8L90 T94 V100 F101 I105 Y109L90-V98 HydrophobicContact CD2-CB 4.32Å; L90-V98 HydrophobicContact CD2-CG1 3.77Å; L90-V98 HydrophobicContact CG-CB 4.34Å; L90-V98 HydrophobicContact CG-CG1 4.31Å; L90-V98 WeakPolarHBondContact CG-O 3.33Å; T94-V98 HydrophobicContact CG2-CB 3.88Å; T94-V98 HydrophobicContact CG2-CG2 3.85Å; T94-V98 PolarHBondContact OG1-N 3.45Å; T94-V98 PolarHBondContact OG1-O 2.96Å; V98-V100 WeakPolarHBondContact CG1-O 3.5Å; V98-F101 HydrophobicContact CG1-CD2 4.19Å; V98-I105 HydrophobicContact CG1-CD1 3.66Å; V98-Y109 HydrophobicContact CG2-CD1 4.22Å; V98-Y109 HydrophobicContact CG2-CE1 3.61Å; V98-Y109 HydrophobicContact CG2-CE2 4.17Å
99P88.6Confident90.1Very high66 Ų6682.2 Ų82.243%0.42942%0.415SS..SBendtrans-78.8-18.8-177.930.9-35.6000113.9P86 D87 T91P86-P99 CarbonylContact C-O 3.22Å; P86-P99 VanDerWaalsContact CA-O 3.23Å; P86-P99 WeakPolarHBondContact CA-O 3.42Å; D87-P99 PolarHBondContact N-O 3.49Å; T91-P99 WeakPolarHBondContact OG1-CA 3.42Å
100V91.7Very high90.1Very high35 Ų3579.3 Ų79.321%0.21240%0.399CS..  trans-146.4143.1-172.5177.20000107.2S83 P86 V98 I105S83-V100 WeakPolarHBondContact O-CG1 3.48Å; P86-V100 HydrophobicContact CG-CG2 4.38Å; V98-V100 WeakPolarHBondContact CG1-O 3.5Å; V100-I105 WeakPolarHBondContact O-CD1 3.35Å
101F91.2Very high90.3Very high53 Ų5383 Ų8323%0.23241%0.41CS..  trans-114.378.2175.5-155.5-118.9000111.9P79 L82 S83 L90 V98 I105 V106P79-F101 HydrophobicContact CB-CE1 4.16Å; P79-F101 HydrophobicContact CG-CE1 4.12Å; L82-F101 WeakPolarHBondContact CA-O 3.5Å; L82-F101 HydrophobicContact CD2-CD1 3.6Å; L82-F101 HydrophobicContact CD2-CE1 3.86Å; S83-F101 PolarHBondContact N-O 2.96Å; S83-F101 CarbonylContact O-C 3.58Å; S83-F101 VanDerWaalsContact O-O 3.11Å; L90-F101 HydrophobicContact CD2-CB 3.88Å; L90-F101 HydrophobicContact CD2-CG 4.5Å; V98-F101 HydrophobicContact CG1-CD2 4.19Å; F101-I105 HydrophobicContact CD2-CD1 4.18Å; F101-V106 HydrophobicContact CD1-CG2 4.01Å; F101-V106 HydrophobicContact CD2-CG2 4.34Å; F101-V106 HydrophobicContact CE1-CG2 3.73Å; F101-V106 HydrophobicContact CE2-CG2 4.07Å; F101-V106 HydrophobicContact CG-CG2 4.31Å; F101-V106 HydrophobicContact CZ-CG2 3.76Å
102S92.6Very high90.3Very high7 Ų788.4 Ų88.45%0.04944%0.443CS..  trans-99.8164.7-173.980.50000113.5S83 E104 I105 V106S83-S102 WeakPolarHBondContact O-CA 3.48Å; S83-S102 PolarHBondContact O-N 2.97Å; S102-E104 PolarHBondContact O-N 3.36Å; S102-E104 PolarHBondContact OG-N 3.07Å; S102-I105 PolarHBondContact O-N 2.99Å; S102-V106 WeakPolarHBondContact O-CG2 3.36Å; S102-V106 PolarHBondContact O-N 3.16Å
103H92.1Very high90.2Very high141 Ų14188.3 Ų88.365%0.65343%0.433SS*.THydrogen-bonded Turntrans-53.6-21.1173.5-65.9-86.4000114.8L82 P107L82-H103 WeakPolarHBondContact CD1-ND1 3.49Å; H103-P107 WeakPolarHBondContact O-CD 3.45Å
104E90.8Very high90.4Very high147 Ų14784.2 Ų84.269%0.68742%0.415SS*.THydrogen-bonded Turntrans-81.1-36.7-176.8-6416612400111.9S102S102-E104 PolarHBondContact O-N 3.36Å; S102-E104 PolarHBondContact OG-N 3.07Å
105I90Very high90.6Very high47 Ų4788.1 Ų88.124%0.24144%0.435CS..THydrogen-bonded Turntrans-97.9-22.8-175.469.6158.5000113.8V98 V100 F101 S102 P107 D108 Y109V98-I105 HydrophobicContact CG1-CD1 3.66Å; V100-I105 WeakPolarHBondContact O-CD1 3.35Å; F101-I105 HydrophobicContact CD2-CD1 4.18Å; S102-I105 PolarHBondContact O-N 2.99Å; I105-P107 VanDerWaalsContact C-N 3.31Å; I105-D108 PolarHBondContact O-N 2.96Å; I105-Y109 HydrophobicContact CB-CD2 3.98Å; I105-Y109 HydrophobicContact CB-CE2 4.07Å; I105-Y109 HydrophobicContact CD1-CD2 3.82Å; I105-Y109 HydrophobicContact CD1-CE2 3.79Å; I105-Y109 HydrophobicContact CG1-CD2 4.16Å; I105-Y109 HydrophobicContact CG1-CE2 4.41Å; I105-Y109 WeakPolarHBondContact O-CD2 3.42Å; I105-Y109 PolarHBondContact O-N 3.22Å; I105-Y109 VanDerWaalsContact O-N 3.12Å
106V91.3Very high90.8Very high20 Ų2087.3 Ų87.312%0.12144%0.439CS..Hα-helixtrans-53.8-39.2179.7166.90000113.3P79 L82 F101 S102 D108 L110P79-V106 HydrophobicContact CG-CG1 3.97Å; L82-V106 HydrophobicContact CD1-CG2 4.25Å; L82-V106 HydrophobicContact CD2-CG2 3.41Å; L82-V106 VanDerWaalsContact CD2-CG2 3.41Å; L82-V106 HydrophobicContact CG-CG2 4.48Å; F101-V106 HydrophobicContact CD1-CG2 4.01Å; F101-V106 HydrophobicContact CD2-CG2 4.34Å; F101-V106 HydrophobicContact CE1-CG2 3.73Å; F101-V106 HydrophobicContact CE2-CG2 4.07Å; F101-V106 HydrophobicContact CG-CG2 4.31Å; F101-V106 HydrophobicContact CZ-CG2 3.76Å; S102-V106 WeakPolarHBondContact O-CG2 3.36Å; S102-V106 PolarHBondContact O-N 3.16Å; V106-D108 PolarHBondContact O-N 3.24Å; V106-L110 HydrophobicContact CG1-CD1 4.05Å; V106-L110 HydrophobicContact CG1-CG 4.45Å; V106-L110 WeakPolarHBondContact O-CB 3.34Å; V106-L110 PolarHBondContact O-N 2.86Å
107P91.1Very high91Very high82 Ų8286 Ų8653%0.53243%0.433SS..Hα-helixtrans-59-32176-25.936.5000114.1H103 I105 R111H103-P107 WeakPolarHBondContact O-CD 3.45Å; I105-P107 VanDerWaalsContact C-N 3.31Å; P107-R111 WeakPolarHBondContact O-CB 3.39Å; P107-R111 PolarHBondContact O-N 3.12Å
108D90.4Very high91.4Very high110 Ų11082.3 Ų82.359%0.58843%0.427SS*.Hα-helixtrans-82.9-47.7179.7-66.4-41.9000111.4I105 V106 L110 R111I105-D108 PolarHBondContact O-N 2.96Å; V106-D108 PolarHBondContact O-N 3.24Å; D108-L110 VanDerWaalsContact C-N 3.32Å; D108-L110 PolarHBondContact O-N 3.4Å; D108-R111 WeakPolarHBondContact O-CB 3.31Å; D108-R111 PolarHBondContact O-N 3.3Å
109Y88.8Confident91.6Very high122 Ų12285.2 Ų85.248%0.47844%0.44SS..Hα-helixtrans-71.5-22.7-178.4-74.7-76.8000114.2R97 V98 I105R97-Y109 PolarHBondContact O-OH 2.93Å; V98-Y109 HydrophobicContact CG2-CD1 4.22Å; V98-Y109 HydrophobicContact CG2-CE1 3.61Å; V98-Y109 HydrophobicContact CG2-CE2 4.17Å; I105-Y109 HydrophobicContact CB-CD2 3.98Å; I105-Y109 HydrophobicContact CB-CE2 4.07Å; I105-Y109 HydrophobicContact CD1-CD2 3.82Å; I105-Y109 HydrophobicContact CD1-CE2 3.79Å; I105-Y109 HydrophobicContact CG1-CD2 4.16Å; I105-Y109 HydrophobicContact CG1-CE2 4.41Å; I105-Y109 WeakPolarHBondContact O-CD2 3.42Å; I105-Y109 PolarHBondContact O-N 3.22Å; I105-Y109 VanDerWaalsContact O-N 3.12Å
110L91.2Very high91.9Very high65 Ų6587.6 Ų87.634%0.3445%0.445SS..THydrogen-bonded Turntrans-104.316.8171.5-59.8-173000113.1I77 P79 V106 D108 T112I77-L110 HydrophobicContact CG2-CD2 4.14Å; P79-L110 HydrophobicContact CG-CD1 3.63Å; V106-L110 HydrophobicContact CG1-CD1 4.05Å; V106-L110 HydrophobicContact CG1-CG 4.45Å; V106-L110 WeakPolarHBondContact O-CB 3.34Å; V106-L110 PolarHBondContact O-N 2.86Å; D108-L110 VanDerWaalsContact C-N 3.32Å; D108-L110 PolarHBondContact O-N 3.4Å; L110-T112 PolarHBondContact O-N 3.01Å
111R91.9Very high92.1Very high119 Ų11990.3 Ų90.345%0.44946%0.455SS..  trans-64.7109.1178.9-178.1173.3164.2165.6-8.1111.3P107 D108 K113 P114P107-R111 WeakPolarHBondContact O-CB 3.39Å; P107-R111 PolarHBondContact O-N 3.12Å; D108-R111 WeakPolarHBondContact O-CB 3.31Å; D108-R111 PolarHBondContact O-N 3.3Å; R111-K113 HydrophobicContact CG-CB 4.14Å; R111-K113 WeakPolarHBondContact CG-O 3.34Å; R111-K113 PolarHBondContact NE-O 3.32Å; R111-P114 PolarHBondContact NH2-O 2.79Å
112T91.1Very high92.2Very high141 Ų14193.9 Ų93.987%0.86547%0.473SS*.  trans-88.3-12.2169.954.70000113.3L110L110-T112 PolarHBondContact O-N 3.01Å
113K91.4Very high92.3Very high111 Ų111100.6 Ų100.648%0.48350%0.501SS..SBendtrans-72.7120.8177.7-168.9-170-179.9-156.40110.1R111 E119R111-K113 HydrophobicContact CG-CB 4.14Å; R111-K113 WeakPolarHBondContact CG-O 3.34Å; R111-K113 PolarHBondContact NE-O 3.32Å; K113-E119 WeakPolarHBondContact CE-OE1 3.33Å; K113-E119 WeakPolarHBondContact CE-OE2 3.21Å; K113-E119 IonicContact NZ-OE1 3.42Å; K113-E119 PolarHBondContact NZ-OE1 2.98Å; K113-E119 IonicContact NZ-OE2 2.7Å; K113-E119 PolarHBondContact NZ-OE2 2.9Å
114P90.3Very high92.4Very high54 Ų5499.4 Ų99.435%0.35150%0.496SS..  trans-66.6178.2-179.228.3-34.7000113R111 V118 E119R111-P114 PolarHBondContact NH2-O 2.79Å; P114-V118 HydrophobicContact CB-CB 4.39Å; P114-V118 HydrophobicContact CB-CG1 4.34Å; P114-E119 HydrophobicContact CG-CG 3.86Å
115D92.7Very high92.6Very high105 Ų10598.5 Ų98.556%0.56150%0.495SS*.  trans-73.1148.6178.6-66.1-55.2000112.2E117 V118 E119D115-E117 VanDerWaalsContact C-N 3.26Å; D115-E117 PolarHBondContact O-N 2.88Å; D115-E117 VanDerWaalsContact O-N 3.16Å; D115-V118 HydrophobicContact CB-CG2 4.38Å; D115-V118 WeakPolarHBondContact O-CA 3.34Å; D115-V118 WeakPolarHBondContact O-CB 3.38Å; D115-V118 PolarHBondContact O-N 2.93Å; D115-E119 PolarHBondContact O-N 2.78Å
116P93.4Very high92.7Very high88 Ų8899.9 Ų99.957%0.57151%0.509SS*.Hα-helixtrans-58.1-33.3-173.7-26.435.6000114.6E119 E120P116-E119 PolarHBondContact O-N 3.31Å; P116-E120 PolarHBondContact O-N 3.14Å
117E94.6Very high92.8Very high137 Ų137102.3 Ų102.364%0.6452%0.524SS*.Hα-helixtrans-66.4-38.9175.6-165.6-171.6150.300111.5D115 E120 Q121D115-E117 VanDerWaalsContact C-N 3.26Å; D115-E117 PolarHBondContact O-N 2.88Å; D115-E117 VanDerWaalsContact O-N 3.16Å; E117-E120 PolarHBondContact O-N 3.47Å; E117-Q121 WeakPolarHBondContact O-CB 3.16Å; E117-Q121 VanDerWaalsContact O-CG 3.27Å; E117-Q121 WeakPolarHBondContact O-CG 3.42Å; E117-Q121 PolarHBondContact O-N 3.18Å; E117-Q121 PolarHBondContact OE1-NE2 3.3Å
118V94.1Very high92.9Very high69 Ų69102.9 Ų102.942%0.41852%0.519SS..Hα-helixtrans-70-39.1177.1-177.30000110.6P114 D115 E120 Q121 E122P114-V118 HydrophobicContact CB-CB 4.39Å; P114-V118 HydrophobicContact CB-CG1 4.34Å; D115-V118 HydrophobicContact CB-CG2 4.38Å; D115-V118 WeakPolarHBondContact O-CA 3.34Å; D115-V118 WeakPolarHBondContact O-CB 3.38Å; D115-V118 PolarHBondContact O-N 2.93Å; V118-E120 VanDerWaalsContact C-N 3.33Å; V118-E120 PolarHBondContact O-N 2.67Å; V118-Q121 PolarHBondContact O-N 3.01Å; V118-E122 WeakPolarHBondContact O-CB 3.41Å; V118-E122 PolarHBondContact O-N 2.93Å
119E94.2Very high92.8Very high71 Ų71100.7 Ų100.733%0.33252%0.516SS..Hα-helixtrans-60.9-41172.1-67.3-162.2125.300112.3K113 P114 D115 P116 K123K113-E119 WeakPolarHBondContact CE-OE1 3.33Å; K113-E119 WeakPolarHBondContact CE-OE2 3.21Å; K113-E119 IonicContact NZ-OE1 3.42Å; K113-E119 PolarHBondContact NZ-OE1 2.98Å; K113-E119 IonicContact NZ-OE2 2.7Å; K113-E119 PolarHBondContact NZ-OE2 2.9Å; P114-E119 HydrophobicContact CG-CG 3.86Å; D115-E119 PolarHBondContact O-N 2.78Å; P116-E119 PolarHBondContact O-N 3.31Å; E119-K123 WeakPolarHBondContact O-CB 3.24Å; E119-K123 PolarHBondContact O-N 3.19Å
120E95.1Very high92.8Very high115 Ų11598.9 Ų98.954%0.53753%0.527SS..Hα-helixtrans-68.5-43.6176.2175.9152.6-143.600111.8P116 E117 V118 K123 Q124P116-E120 PolarHBondContact O-N 3.14Å; E117-E120 PolarHBondContact O-N 3.47Å; V118-E120 VanDerWaalsContact C-N 3.33Å; V118-E120 PolarHBondContact O-N 2.67Å; E120-K123 PolarHBondContact O-N 3.21Å; E120-Q124 HydrophobicContact CG-CG 4.35Å; E120-Q124 VanDerWaalsContact CG-NE2 3.32Å; E120-Q124 WeakPolarHBondContact O-CB 3.49Å; E120-Q124 VanDerWaalsContact O-CG 3.29Å; E120-Q124 WeakPolarHBondContact O-CG 3.27Å; E120-Q124 PolarHBondContact O-N 3.19Å; E120-Q124 PolarHBondContact OE1-NE2 2.87Å
121Q95.4Very high92.8Very high93 Ų93104.1 Ų104.144%0.43554%0.542SS..Hα-helixtrans-60.6-45.4175-72176.522.900111.8E117 V118 K123 Q124 L125E117-Q121 WeakPolarHBondContact O-CB 3.16Å; E117-Q121 VanDerWaalsContact O-CG 3.27Å; E117-Q121 WeakPolarHBondContact O-CG 3.42Å; E117-Q121 PolarHBondContact O-N 3.18Å; E117-Q121 PolarHBondContact OE1-NE2 3.3Å; V118-Q121 PolarHBondContact O-N 3.01Å; Q121-K123 PolarHBondContact O-N 3.32Å; Q121-Q124 PolarHBondContact O-N 3.25Å; Q121-L125 WeakPolarHBondContact O-CB 3.34Å; Q121-L125 VanDerWaalsContact O-CG 3.3Å; Q121-L125 WeakPolarHBondContact O-CG 3.5Å; Q121-L125 PolarHBondContact O-N 2.86Å
122E93.9Very high92.6Very high127 Ų127101.7 Ų101.759%0.59354%0.538SS*.Hα-helixtrans-61.2-45.1175.4-174.5-179.8171.200111.2V118 Q124 L125 S126V118-E122 WeakPolarHBondContact O-CB 3.41Å; V118-E122 PolarHBondContact O-N 2.93Å; E122-Q124 PolarHBondContact O-N 3.4Å; E122-L125 PolarHBondContact O-N 3.35Å; E122-S126 WeakPolarHBondContact O-CB 3.44Å; E122-S126 PolarHBondContact O-N 2.96Å
123K94.9Very high92.6Very high149 Ų14996.8 Ų96.865%0.64852%0.515SS*.Hα-helixtrans-61.5-40.6177179.8-176.6174.8-171.10112.3E119 E120 Q121 T127E119-K123 WeakPolarHBondContact O-CB 3.24Å; E119-K123 PolarHBondContact O-N 3.19Å; E120-K123 PolarHBondContact O-N 3.21Å; Q121-K123 PolarHBondContact O-N 3.32Å; K123-T127 VanDerWaalsContact O-CB 3.31Å; K123-T127 WeakPolarHBondContact O-CB 3.46Å; K123-T127 PolarHBondContact O-N 3.21Å; K123-T127 PolarHBondContact O-OG1 3.4Å
124Q94.8Very high92.4Very high116 Ų11696.1 Ų96.154%0.54252%0.522SS..Hα-helixtrans-65.2-48175.5-72.8178.62300111.1E120 Q121 E122 S126 T127 E128E120-Q124 HydrophobicContact CG-CG 4.35Å; E120-Q124 VanDerWaalsContact CG-NE2 3.32Å; E120-Q124 WeakPolarHBondContact O-CB 3.49Å; E120-Q124 VanDerWaalsContact O-CG 3.29Å; E120-Q124 WeakPolarHBondContact O-CG 3.27Å; E120-Q124 PolarHBondContact O-N 3.19Å; E120-Q124 PolarHBondContact OE1-NE2 2.87Å; Q121-Q124 PolarHBondContact O-N 3.25Å; E122-Q124 PolarHBondContact O-N 3.4Å; Q124-S126 PolarHBondContact O-N 2.92Å; Q124-T127 PolarHBondContact O-N 2.95Å; Q124-E128 PolarHBondContact O-N 3.09Å
125L93.8Very high92.4Very high127 Ų12798.9 Ų98.967%0.66553%0.533SS*.Hα-helixtrans-62.7-41.5177.7-71.1170.5000112.5Q121 E122 E128 A129Q121-L125 WeakPolarHBondContact O-CB 3.34Å; Q121-L125 VanDerWaalsContact O-CG 3.3Å; Q121-L125 WeakPolarHBondContact O-CG 3.5Å; Q121-L125 PolarHBondContact O-N 2.86Å; E122-L125 PolarHBondContact O-N 3.35Å; L125-E128 PolarHBondContact O-N 3.09Å; L125-A129 WeakPolarHBondContact O-CB 3.26Å; L125-A129 PolarHBondContact O-N 2.94Å
126S93Very high92.3Very high76 Ų7697.4 Ų97.453%0.53153%0.528SS..Hα-helixtrans-63.6-41.9174.9-176.20000111.7E122 Q124 E128 A129 A130E122-S126 WeakPolarHBondContact O-CB 3.44Å; E122-S126 PolarHBondContact O-N 2.96Å; Q124-S126 PolarHBondContact O-N 2.92Å; S126-E128 PolarHBondContact O-N 2.78Å; S126-A129 PolarHBondContact O-N 3.4Å; S126-A130 WeakPolarHBondContact O-CB 3.45Å; S126-A130 PolarHBondContact O-N 2.9Å
127T93.6Very high92.2Very high71 Ų7194.5 Ų94.544%0.43651%0.511SS..Hα-helixtrans-63.9-38.9174.8-57.70000112.1K123 Q124K123-T127 VanDerWaalsContact O-CB 3.31Å; K123-T127 WeakPolarHBondContact O-CB 3.46Å; K123-T127 PolarHBondContact O-N 3.21Å; K123-T127 PolarHBondContact O-OG1 3.4Å; Q124-T127 PolarHBondContact O-N 2.95Å
128E91.9Very high92.1Very high94 Ų9492.9 Ų92.944%0.43950%0.504SS..Hα-helixtrans-71.8-44.3176.8-169.659.6-145.500111.6Q124 L125 S126 A130 R131Q124-E128 PolarHBondContact O-N 3.09Å; L125-E128 PolarHBondContact O-N 3.09Å; S126-E128 PolarHBondContact O-N 2.78Å; E128-A130 VanDerWaalsContact C-N 3.27Å; E128-A130 PolarHBondContact O-N 3.25Å; E128-R131 VanDerWaalsContact O-CB 3.31Å; E128-R131 WeakPolarHBondContact O-CB 3.25Å; E128-R131 PolarHBondContact O-N 2.99Å; E128-R131 IonicContact OE1-NH1 2.63Å; E128-R131 WeakPolarHBondContact OE2-CD 3.49Å; E128-R131 IonicContact OE2-CZ 3.54Å; E128-R131 VanDerWaalsContact OE2-CZ 3.28Å; E128-R131 IonicContact OE2-NE 2.63Å; E128-R131 IonicContact OE2-NH1 3.28Å; E128-R131 PolarHBondContact OE2-NH1 2.68Å
129A88.1Confident92.1Very high64 Ų6496.5 Ų96.553%0.52951%0.514SS..Hα-helixtrans-57.8-40.3175.700000111.9L125 S126 R131 I132L125-A129 WeakPolarHBondContact O-CB 3.26Å; L125-A129 PolarHBondContact O-N 2.94Å; S126-A129 PolarHBondContact O-N 3.4Å; A129-R131 PolarHBondContact O-N 2.96Å; A129-I132 PolarHBondContact O-N 2.98Å
130A90.1Very high91.9Very high85 Ų8597.8 Ų97.870%0.70252%0.52SS*.THydrogen-bonded Turntrans-65.2-13.9176.700000114.5S126 E128 I132S126-A130 WeakPolarHBondContact O-CB 3.45Å; S126-A130 PolarHBondContact O-N 2.9Å; E128-A130 VanDerWaalsContact C-N 3.27Å; E128-A130 PolarHBondContact O-N 3.25Å; A130-I132 VanDerWaalsContact C-N 3.35Å
131R90.6Very high91.8Very high174 Ų17496 Ų9666%0.65751%0.514SS*.THydrogen-bonded Turntrans-77.8-20.2172.6-63.5168.8-178.8-176.5-5.5112.7E128 A129E128-R131 VanDerWaalsContact O-CB 3.31Å; E128-R131 WeakPolarHBondContact O-CB 3.25Å; E128-R131 PolarHBondContact O-N 2.99Å; E128-R131 IonicContact OE1-NH1 2.63Å; E128-R131 WeakPolarHBondContact OE2-CD 3.49Å; E128-R131 IonicContact OE2-CZ 3.54Å; E128-R131 VanDerWaalsContact OE2-CZ 3.28Å; E128-R131 IonicContact OE2-NE 2.63Å; E128-R131 IonicContact OE2-NH1 3.28Å; E128-R131 PolarHBondContact OE2-NH1 2.68Å; A129-R131 PolarHBondContact O-N 2.96Å
132I88.9Confident91.8Very high69 Ų6997.5 Ų97.535%0.35452%0.521SS..SBendtrans-99.1114.2-176.4-50.5-179.8000109.3A129 A130 V136 A137A129-I132 PolarHBondContact O-N 2.98Å; A130-I132 VanDerWaalsContact C-N 3.35Å; I132-V136 HydrophobicContact CG2-CB 4.23Å; I132-V136 HydrophobicContact CG2-CG1 4.24Å; I132-A137 HydrophobicContact CG2-CB 3.87Å
133G89.5Confident91.8Very high37 Ų3793.9 Ų93.938%0.38151%0.512SS..  trans-59.1141.6175.800000112.2D135 V136 A137G133-D135 VanDerWaalsContact C-N 3.35Å; G133-D135 PolarHBondContact O-N 3.07Å; G133-V136 WeakPolarHBondContact O-CA 3.39Å; G133-V136 WeakPolarHBondContact O-CB 3.35Å; G133-V136 PolarHBondContact O-N 2.86Å; G133-A137 PolarHBondContact O-N 3.06Å
134P87.9Confident91.8Very high97 Ų9791.3 Ų91.363%0.6351%0.505SS*.Hα-helixtrans-59.5-39.4-167.821.4-33.2000113.7V136 A137 Q138P134-V136 VanDerWaalsContact C-N 3.28Å; P134-V136 PolarHBondContact O-N 2.91Å; P134-A137 PolarHBondContact O-N 3.24Å; P134-Q138 WeakPolarHBondContact O-CB 3.41Å; P134-Q138 WeakPolarHBondContact O-CG 3.22Å; P134-Q138 PolarHBondContact O-N 3.48Å
135D90.3Very high91.8Very high112 Ų11290.4 Ų90.460%0.59950%0.504SS*.Hα-helixtrans-61.8-33.7174.1-65-97.5000113.7G133 K139G133-D135 VanDerWaalsContact C-N 3.35Å; G133-D135 PolarHBondContact O-N 3.07Å; D135-K139 WeakPolarHBondContact O-CB 3.45Å; D135-K139 WeakPolarHBondContact O-CD 3.47Å; D135-K139 VanDerWaalsContact O-CG 3.24Å; D135-K139 WeakPolarHBondContact O-CG 3.32Å; D135-K139 PolarHBondContact O-N 3.11Å
136V91.3Very high91.9Very high74 Ų7491.2 Ų91.245%0.44850%0.502SS..Hα-helixtrans-75.5-45.2178.2-178.10000109.3I132 G133 P134 Q138 K139 Q140I132-V136 HydrophobicContact CG2-CB 4.23Å; I132-V136 HydrophobicContact CG2-CG1 4.24Å; G133-V136 WeakPolarHBondContact O-CA 3.39Å; G133-V136 WeakPolarHBondContact O-CB 3.35Å; G133-V136 PolarHBondContact O-N 2.86Å; P134-V136 VanDerWaalsContact C-N 3.28Å; P134-V136 PolarHBondContact O-N 2.91Å; V136-Q138 PolarHBondContact O-N 2.9Å; V136-K139 PolarHBondContact O-N 3.38Å; V136-Q140 HydrophobicContact CG1-CG 4.47Å; V136-Q140 WeakPolarHBondContact O-CB 3.24Å; V136-Q140 WeakPolarHBondContact O-CG 3.36Å; V136-Q140 PolarHBondContact O-N 2.98Å
137A89.8Confident92Very high27 Ų2792.7 Ų92.722%0.22350%0.502CS..Hα-helixtrans-57.4-48.3174.700000111.5I132 G133 P134 K139 Q140 I141I132-A137 HydrophobicContact CG2-CB 3.87Å; G133-A137 PolarHBondContact O-N 3.06Å; P134-A137 PolarHBondContact O-N 3.24Å; A137-K139 PolarHBondContact O-N 3.35Å; A137-Q140 PolarHBondContact O-N 3.32Å; A137-I141 WeakPolarHBondContact O-CB 3.46Å; A137-I141 WeakPolarHBondContact O-CD1 3.48Å; A137-I141 VanDerWaalsContact O-CG1 3.22Å; A137-I141 WeakPolarHBondContact O-CG1 3.37Å; A137-I141 PolarHBondContact O-N 3.42Å
138Q92.2Very high92Very high104 Ų10492.3 Ų92.349%0.48650%0.502SS..Hα-helixtrans-60.6-43.5178.1-76.6-65.6-26.100112.8P134 V136 I141 Q142P134-Q138 WeakPolarHBondContact O-CB 3.41Å; P134-Q138 WeakPolarHBondContact O-CG 3.22Å; P134-Q138 PolarHBondContact O-N 3.48Å; V136-Q138 PolarHBondContact O-N 2.9Å; Q138-I141 PolarHBondContact O-N 3.29Å; Q138-Q142 VanDerWaalsContact O-CG 3.29Å; Q138-Q142 WeakPolarHBondContact O-CG 3.47Å; Q138-Q142 PolarHBondContact O-N 3.47Å
139K94.8Very high92Very high145 Ų14591.2 Ų91.263%0.6350%0.504SS*.Hα-helixtrans-64.1-40.4175.9-73.5167.6-173.51670112.1D135 V136 A137 A143D135-K139 WeakPolarHBondContact O-CB 3.45Å; D135-K139 WeakPolarHBondContact O-CD 3.47Å; D135-K139 VanDerWaalsContact O-CG 3.24Å; D135-K139 WeakPolarHBondContact O-CG 3.32Å; D135-K139 PolarHBondContact O-N 3.11Å; V136-K139 PolarHBondContact O-N 3.38Å; A137-K139 PolarHBondContact O-N 3.35Å; K139-A143 WeakPolarHBondContact O-CB 3.41Å; K139-A143 PolarHBondContact O-N 2.85Å
140Q90.6Very high92.2Very high97 Ų9791.7 Ų91.745%0.45350%0.498SS..Hα-helixtrans-65.4-45.6175.7-73.3175.6-2.400111.9V136 A137 Q142 A143 L144V136-Q140 HydrophobicContact CG1-CG 4.47Å; V136-Q140 WeakPolarHBondContact O-CB 3.24Å; V136-Q140 WeakPolarHBondContact O-CG 3.36Å; V136-Q140 PolarHBondContact O-N 2.98Å; A137-Q140 PolarHBondContact O-N 3.32Å; Q140-Q142 PolarHBondContact O-N 2.93Å; Q140-A143 PolarHBondContact O-N 3.22Å; Q140-L144 WeakPolarHBondContact O-CB 3.45Å; Q140-L144 PolarHBondContact O-N 2.85Å
141I93.2Very high92.3Very high79 Ų7992.6 Ų92.641%0.40549%0.49SS..Hα-helixtrans-59-47176.9-70.1162.6000110.7A137 Q138 A143 L144 N145A137-I141 WeakPolarHBondContact O-CB 3.46Å; A137-I141 WeakPolarHBondContact O-CD1 3.48Å; A137-I141 VanDerWaalsContact O-CG1 3.22Å; A137-I141 WeakPolarHBondContact O-CG1 3.37Å; A137-I141 PolarHBondContact O-N 3.42Å; Q138-I141 PolarHBondContact O-N 3.29Å; I141-A143 PolarHBondContact O-N 3.23Å; I141-L144 PolarHBondContact O-N 3.43Å; I141-N145 VanDerWaalsContact O-CB 3.29Å; I141-N145 WeakPolarHBondContact O-CB 3.29Å; I141-N145 PolarHBondContact O-N 3.07Å; I141-N145 PolarHBondContact O-ND2 3Å
142Q94.2Very high92.3Very high124 Ų12489.2 Ų89.258%0.57949%0.485SS*.Hα-helixtrans-64.1-40.8178.4-70.1173.226.300112.3Q138 Q140 K146Q138-Q142 VanDerWaalsContact O-CG 3.29Å; Q138-Q142 WeakPolarHBondContact O-CG 3.47Å; Q138-Q142 PolarHBondContact O-N 3.47Å; Q140-Q142 PolarHBondContact O-N 2.93Å; Q142-K146 WeakPolarHBondContact O-CB 3.29Å; Q142-K146 PolarHBondContact O-N 2.84Å
143A94.2Very high92.2Very high50 Ų5092.3 Ų92.341%0.41350%0.498SS..Hα-helixtrans-65.9-45.6176.300000112.3K139 Q140 I141 K146 M147K139-A143 WeakPolarHBondContact O-CB 3.41Å; K139-A143 PolarHBondContact O-N 2.85Å; Q140-A143 PolarHBondContact O-N 3.22Å; I141-A143 PolarHBondContact O-N 3.23Å; A143-K146 PolarHBondContact O-N 3.43Å; A143-M147 WeakPolarHBondContact O-CG 3.46Å; A143-M147 PolarHBondContact O-N 3.36Å
144L94.6Very high92Very high96 Ų9698 Ų9850%0.50351%0.512SS..Hα-helixtrans-62.1-49.3176.6-82.8160.3000111.5Q140 I141 K146 M147 C148Q140-L144 WeakPolarHBondContact O-CB 3.45Å; Q140-L144 PolarHBondContact O-N 2.85Å; I141-L144 PolarHBondContact O-N 3.43Å; L144-K146 VanDerWaalsContact C-N 3.29Å; L144-K146 PolarHBondContact O-N 3.04Å; L144-M147 HydrophobicContact CD2-CE 3.95Å; L144-M147 HydrophobicContact CG-CE 4.25Å; L144-M147 PolarHBondContact O-N 3.33Å; L144-M147 VanDerWaalsContact O-N 3.07Å; L144-C148 PolarHBondContact O-N 3.49Å; L144-C148 PolarHBondContact O-SG 2.99Å; L144-C148 VanDerWaalsContact O-SG 3.36Å
145N95.5Very high91.9Very high97 Ų9799.3 Ų99.352%0.51951%0.513SS..Hα-helixtrans-58.1-41.9177.2-73.2-14.6000111.6I141 C148 S149I141-N145 VanDerWaalsContact O-CB 3.29Å; I141-N145 WeakPolarHBondContact O-CB 3.29Å; I141-N145 PolarHBondContact O-N 3.07Å; I141-N145 PolarHBondContact O-ND2 3Å; N145-C148 PolarHBondContact O-N 3.05Å; N145-S149 WeakPolarHBondContact O-CB 3.4Å; N145-S149 PolarHBondContact O-N 3.37Å; N145-S149 PolarHBondContact O-OG 3.42Å
146K96.3Very high91.4Very high144 Ų144100.4 Ų100.463%0.62652%0.519SS*.Hα-helixtrans-62.6-42.4174.7-173.1172.7-176.8174.50112.2Q142 A143 L144 N150Q142-K146 WeakPolarHBondContact O-CB 3.29Å; Q142-K146 PolarHBondContact O-N 2.84Å; A143-K146 PolarHBondContact O-N 3.43Å; L144-K146 VanDerWaalsContact C-N 3.29Å; L144-K146 PolarHBondContact O-N 3.04Å; K146-N150 WeakPolarHBondContact O-CB 3.35Å; K146-N150 PolarHBondContact O-N 2.98Å; K146-N150 PolarHBondContact O-OD1 3.16Å; K146-N150 VanDerWaalsContact O-OD1 3.08Å
147M93.8Very high90.4Very high106 Ų106100.1 Ų100.152%0.52252%0.515SS..Hα-helixtrans-64.7-43.2175.7-70.2-174.6-64.500112A143 L144 N150 L151A143-M147 WeakPolarHBondContact O-CG 3.46Å; A143-M147 PolarHBondContact O-N 3.36Å; L144-M147 HydrophobicContact CD2-CE 3.95Å; L144-M147 HydrophobicContact CG-CE 4.25Å; L144-M147 PolarHBondContact O-N 3.33Å; L144-M147 VanDerWaalsContact O-N 3.07Å; M147-N150 PolarHBondContact O-N 3.44Å; M147-L151 WeakPolarHBondContact O-CB 3.29Å; M147-L151 VanDerWaalsContact O-CG 3.29Å; M147-L151 WeakPolarHBondContact O-CG 3.18Å; M147-L151 PolarHBondContact O-N 3.38Å
148C94.1Very high89Confident64 Ų64102.2 Ų102.243%0.43253%0.526SS..Hα-helixtrans-61.8-45.8176.2-68.10000112.1L144 N145 L151 L152L144-C148 PolarHBondContact O-N 3.49Å; L144-C148 PolarHBondContact O-SG 2.99Å; L144-C148 VanDerWaalsContact O-SG 3.36Å; N145-C148 PolarHBondContact O-N 3.05Å; C148-L151 PolarHBondContact O-N 2.87Å; C148-L152 WeakPolarHBondContact O-CB 3.5Å; C148-L152 WeakPolarHBondContact O-CG 3.25Å; C148-L152 PolarHBondContact O-N 3.36Å
149S92.8Very high87.3Confident71 Ų71107 Ų10750%0.49754%0.54SS..Hα-helixtrans-61.1-47175.5-64.80000112.1N145 L151 L152 E153N145-S149 WeakPolarHBondContact O-CB 3.4Å; N145-S149 PolarHBondContact O-N 3.37Å; N145-S149 PolarHBondContact O-OG 3.42Å; S149-L151 PolarHBondContact O-N 2.9Å; S149-L152 PolarHBondContact O-N 2.9Å; S149-E153 WeakPolarHBondContact O-CB 3.38Å; S149-E153 PolarHBondContact O-N 3.26Å
150N92.3Very high85.5Confident73 Ų73105.6 Ų105.639%0.3954%0.539SS..Hα-helixtrans-62.2-30.1177.4-68.35.9000112.9K146 M147 K154K146-N150 WeakPolarHBondContact O-CB 3.35Å; K146-N150 PolarHBondContact O-N 2.98Å; K146-N150 PolarHBondContact O-OD1 3.16Å; K146-N150 VanDerWaalsContact O-OD1 3.08Å; M147-N150 PolarHBondContact O-N 3.44Å; N150-K154 WeakPolarHBondContact O-CG 3.39Å; N150-K154 PolarHBondContact O-N 3.04Å
151L90.9Very high84Confident105 Ų105105.9 Ų105.955%0.5554%0.544SS..Hα-helixtrans-77.8-42175.1-73.5170.3000111.5M147 C148 S149 E153 K154 L155M147-L151 WeakPolarHBondContact O-CB 3.29Å; M147-L151 VanDerWaalsContact O-CG 3.29Å; M147-L151 WeakPolarHBondContact O-CG 3.18Å; M147-L151 PolarHBondContact O-N 3.38Å; C148-L151 PolarHBondContact O-N 2.87Å; S149-L151 PolarHBondContact O-N 2.9Å; L151-E153 VanDerWaalsContact C-N 3.34Å; L151-K154 PolarHBondContact O-N 2.88Å; L151-L155 WeakPolarHBondContact O-CB 3.34Å; L151-L155 VanDerWaalsContact O-CG 3.25Å; L151-L155 WeakPolarHBondContact O-CG 3.47Å; L151-L155 PolarHBondContact O-N 3.22Å
152L90.2Very high82.3Confident103 Ų103110.7 Ų110.754%0.53956%0.557SS.*Hα-helixtrans-63.4-38.8175.2-73.9169.3000112.1C148 S149 L155 N156C148-L152 WeakPolarHBondContact O-CB 3.5Å; C148-L152 WeakPolarHBondContact O-CG 3.25Å; C148-L152 PolarHBondContact O-N 3.36Å; S149-L152 PolarHBondContact O-N 2.9Å; L152-L155 PolarHBondContact O-N 3.08Å; L152-N156 VanDerWaalsContact O-CB 3.32Å; L152-N156 WeakPolarHBondContact O-CB 3.32Å; L152-N156 VanDerWaalsContact O-CG 3.25Å; L152-N156 PolarHBondContact O-N 3.44Å; L152-N156 PolarHBondContact O-ND2 2.86Å
153E88.1Confident80.5Confident134 Ų134109.9 Ų109.963%0.62656%0.556SS**Hα-helixtrans-56.3-54.8172.6-176.1175.3-146.500110.6S149 L151 L155 N156 N157S149-E153 WeakPolarHBondContact O-CB 3.38Å; S149-E153 PolarHBondContact O-N 3.26Å; L151-E153 VanDerWaalsContact C-N 3.34Å; E153-L155 VanDerWaalsContact C-N 3.33Å; E153-L155 PolarHBondContact O-N 3Å; E153-N156 PolarHBondContact O-N 3.29Å; E153-N156 VanDerWaalsContact O-N 3.14Å; E153-N157 WeakPolarHBondContact O-CB 3.36Å; E153-N157 PolarHBondContact O-N 3.45Å
154K85.6Confident78.9Confident155 Ų155110.4 Ų110.467%0.67456%0.561SS**Hα-helixtrans-61.5-36.1177.4-69.8177.8179.6-168.40113.8N150 L151 N156 N157N150-K154 WeakPolarHBondContact O-CG 3.39Å; N150-K154 PolarHBondContact O-N 3.04Å; L151-K154 PolarHBondContact O-N 2.88Å; K154-N156 VanDerWaalsContact C-N 3.34Å; K154-N157 PolarHBondContact O-N 3.04Å
155L84.1Confident77Confident125 Ų125113.3 Ų113.365%0.65457%0.572SS**Hα-helixtrans-76.3-20.6177.9-71.8170.4000113.2L151 L152 E153 P158L151-L155 WeakPolarHBondContact O-CB 3.34Å; L151-L155 VanDerWaalsContact O-CG 3.25Å; L151-L155 WeakPolarHBondContact O-CG 3.47Å; L151-L155 PolarHBondContact O-N 3.22Å; L152-L155 PolarHBondContact O-N 3.08Å; E153-L155 VanDerWaalsContact C-N 3.33Å; E153-L155 PolarHBondContact O-N 3Å; L155-P158 WeakPolarHBondContact O-CD 3.49Å
156N80.3Confident75.1Confident136 Ų136110.8 Ų110.873%0.72756%0.562SS**Hα-helixtrans-88.9-16.2171.7-73.2-37.6000113.2L152 E153 K154 P158L152-N156 VanDerWaalsContact O-CB 3.32Å; L152-N156 WeakPolarHBondContact O-CB 3.32Å; L152-N156 VanDerWaalsContact O-CG 3.25Å; L152-N156 PolarHBondContact O-N 3.44Å; L152-N156 PolarHBondContact O-ND2 2.86Å; E153-N156 PolarHBondContact O-N 3.29Å; E153-N156 VanDerWaalsContact O-N 3.14Å; K154-N156 VanDerWaalsContact C-N 3.34Å; N156-P158 WeakPolarHBondContact O-CD 3.37Å
157N71.8Confident73.2Confident67 Ų67106.6 Ų106.636%0.35855%0.554SS.*  trans-90.57.2179.4-138.863.7000118.5E153 K154 R159 D160 D161E153-N157 WeakPolarHBondContact O-CB 3.36Å; E153-N157 PolarHBondContact O-N 3.45Å; K154-N157 PolarHBondContact O-N 3.04Å; N157-R159 PolarHBondContact O-N 3.14Å; N157-D160 PolarHBondContact O-N 2.9Å; N157-D161 PolarHBondContact ND2-OD2 3.31Å
158P59.8Low71.5Confident72 Ų72104.8 Ų104.847%0.46856%0.556SS.*THydrogen-bonded Turntrans-76.817.4-168.335.6-39000114.6L155 N156 R162L155-P158 WeakPolarHBondContact O-CD 3.49Å; N156-P158 WeakPolarHBondContact O-CD 3.37Å; P158-R162 WeakPolarHBondContact O-CB 3.3Å; P158-R162 VanDerWaalsContact O-CD 3.26Å; P158-R162 WeakPolarHBondContact O-CD 3.26Å; P158-R162 VanDerWaalsContact O-CG 3.3Å; P158-R162 WeakPolarHBondContact O-CG 3.44Å
159R55.7Low69.6Low205 Ų205106.6 Ų106.677%0.77457%0.569SS**THydrogen-bonded Turntrans-96.4-61.2167-88.2-174.6169.2170-2.5110.8N157 D161 R162 D163N157-R159 PolarHBondContact O-N 3.14Å; R159-D161 PolarHBondContact O-N 3.36Å; R159-R162 PolarHBondContact O-N 3.18Å; R159-D163 PolarHBondContact O-N 2.99Å
160D58.4Low67.9Low114 Ų114112.7 Ų112.761%0.6158%0.581SS**Hα-helixtrans-59.4-44-175.7-67.7-76.2000112.5N157 R162 D163 A164N157-D160 PolarHBondContact O-N 2.9Å; D160-R162 PolarHBondContact O-N 3.37Å; D160-D163 PolarHBondContact O-N 3.35Å; D160-A164 WeakPolarHBondContact O-CB 3.12Å; D160-A164 PolarHBondContact O-N 3.45Å
161D57.2Low66.3Low103 Ų103116 Ų11655%0.55160%0.598SS**Hα-helixtrans-64.7-37.5175-73.1-58.5000112.4N157 R159 E165N157-D161 PolarHBondContact ND2-OD2 3.31Å; R159-D161 PolarHBondContact O-N 3.36Å; D161-E165 VanDerWaalsContact O-CB 3.25Å; D161-E165 WeakPolarHBondContact O-CB 3.25Å; D161-E165 PolarHBondContact O-N 3.18Å
162R58.7Low64.7Low181 Ų181118 Ų11868%0.68361%0.61SS**Hα-helixtrans-71.1-39.4178.9-82-170.565.2169.4-1.5112.6P158 R159 D160 S166P158-R162 WeakPolarHBondContact O-CB 3.3Å; P158-R162 VanDerWaalsContact O-CD 3.26Å; P158-R162 WeakPolarHBondContact O-CD 3.26Å; P158-R162 VanDerWaalsContact O-CG 3.3Å; P158-R162 WeakPolarHBondContact O-CG 3.44Å; R159-R162 PolarHBondContact O-N 3.18Å; D160-R162 PolarHBondContact O-N 3.37Å; R162-S166 WeakPolarHBondContact O-CB 3.08Å; R162-S166 PolarHBondContact O-N 3.02Å; R162-S166 PolarHBondContact O-OG 2.87Å
163D56.4Low63.2Low106 Ų106122.7 Ų122.757%0.56763%0.626SS**Hα-helixtrans-78.6-32.4178.3-80.5-42.4000111.7R159 D160 A167R159-D163 PolarHBondContact O-N 2.99Å; D160-D163 PolarHBondContact O-N 3.35Å; D163-A167 WeakPolarHBondContact O-CB 3.39Å; D163-A167 PolarHBondContact O-N 2.65Å
164A60.7Low62Low61 Ų61120.2 Ų120.250%0.50462%0.621SS.*Hα-helixtrans-64.4-48.6169.800000112D160 A167 A168D160-A164 WeakPolarHBondContact O-CB 3.12Å; D160-A164 PolarHBondContact O-N 3.45Å; A164-A167 PolarHBondContact O-N 3.04Å; A164-A168 WeakPolarHBondContact O-CB 3.19Å; A164-A168 PolarHBondContact O-N 2.93Å
165E55.4Low61Low157 Ų157119.1 Ų119.173%0.73463%0.633SS**Hα-helixtrans-68-35.8177.1-164.1177.1105.400111.4D161 A168 S169D161-E165 VanDerWaalsContact O-CB 3.25Å; D161-E165 WeakPolarHBondContact O-CB 3.25Å; D161-E165 PolarHBondContact O-N 3.18Å; E165-A168 PolarHBondContact O-N 3.36Å; E165-S169 WeakPolarHBondContact O-CB 3.15Å; E165-S169 PolarHBondContact O-N 2.86Å
166S53.9Low60.3Low45 Ų45119 Ų11932%0.31563%0.627SS.*Hα-helixtrans-69.4-34173.9-64.20000113.2R162 R170R162-S166 WeakPolarHBondContact O-CB 3.08Å; R162-S166 PolarHBondContact O-N 3.02Å; R162-S166 PolarHBondContact O-OG 2.87Å; S166-R170 VanDerWaalsContact O-CG 3.25Å; S166-R170 WeakPolarHBondContact O-CG 3.25Å; S166-R170 PolarHBondContact O-N 3.46Å; S166-R170 VanDerWaalsContact O-N 3.16Å
167A57.9Low60.3Low56 Ų56116.6 Ų116.646%0.46361%0.614SS.*Hα-helixtrans-70.8-43.5174.200000110.9D163 A164 S169 R170D163-A167 WeakPolarHBondContact O-CB 3.39Å; D163-A167 PolarHBondContact O-N 2.65Å; A164-A167 PolarHBondContact O-N 3.04Å; A167-S169 PolarHBondContact O-N 2.91Å; A167-R170 PolarHBondContact O-N 2.92Å
168A57.8Low60.6Low67 Ų67116.8 Ų116.855%0.55462%0.619SS**Hα-helixtrans-60.7-43.4172.900000111.8A164 E165 R170 L171A164-A168 WeakPolarHBondContact O-CB 3.19Å; A164-A168 PolarHBondContact O-N 2.93Å; E165-A168 PolarHBondContact O-N 3.36Å; A168-R170 VanDerWaalsContact C-N 3.26Å; A168-R170 PolarHBondContact O-N 3.35Å; A168-L171 PolarHBondContact O-N 2.85Å
169S54.8Low61.7Low102 Ų102115.3 Ų115.371%0.71362%0.617SS**Hα-helixtrans-68.3-21.4178.9-1670000113.7E165 A167 L171E165-S169 WeakPolarHBondContact O-CB 3.15Å; E165-S169 PolarHBondContact O-N 2.86Å; A167-S169 PolarHBondContact O-N 2.91Å; S169-L171 VanDerWaalsContact C-N 3.31Å
170R56.2Low63Low200 Ų200110.6 Ų110.676%0.75561%0.607SS**Hα-helixtrans-76.7-14.5170.2-72.6171.2-159-140.49.8113.4S166 A167 A168S166-R170 VanDerWaalsContact O-CG 3.25Å; S166-R170 WeakPolarHBondContact O-CG 3.25Å; S166-R170 PolarHBondContact O-N 3.46Å; S166-R170 VanDerWaalsContact O-N 3.16Å; A167-R170 PolarHBondContact O-N 2.92Å; A168-R170 VanDerWaalsContact C-N 3.26Å; A168-R170 PolarHBondContact O-N 3.35Å
171L59.3Low64.3Low143 Ų143108.2 Ų108.275%0.74960%0.597SS**SBendtrans-98.787.3174.8-106.568.8000111.5A168 S169A168-L171 PolarHBondContact O-N 2.85Å; S169-L171 VanDerWaalsContact C-N 3.31Å
172N57.4Low65.7Low147 Ų147108.6 Ų108.679%0.78660%0.599SS**  trans43.883.8157.7-72.2-10.9000117.7
173K57.6Low66.9Low201 Ų201102.7 Ų102.787%0.87459%0.589SS**  -100.8115.7127.3-74.2-179.1-178.4172.20108S175K173-S175 PolarHBondContact O-N 3.47Å
174P63Low68.2Low82 Ų82103.5 Ų103.553%0.53259%0.592SS.*  trans-56.3130.8172.5-24.934.9000110.4F176P174-F176 HydrophobicContact CB-CD1 4.03Å; P174-F176 HydrophobicContact CB-CE1 3.82Å; P174-F176 HydrophobicContact CB-CG 4.49Å; P174-F176 HydrophobicContact CB-CZ 4.12Å; P174-F176 PolarHBondContact O-N 2.83Å
175S64.9Low69.5Low131 Ų131104.5 Ų104.592%0.91659%0.592SS**SBendtrans-75.25.917650.70000113.5K173K173-S175 PolarHBondContact O-N 3.47Å
176F69.9Low71Confident124 Ų12498 Ų9854%0.54457%0.565SS.*SBendtrans-127.6144.1176.763.3-86.5000109.8P174 P178P174-F176 HydrophobicContact CB-CD1 4.03Å; P174-F176 HydrophobicContact CB-CE1 3.82Å; P174-F176 HydrophobicContact CB-CG 4.49Å; P174-F176 HydrophobicContact CB-CZ 4.12Å; P174-F176 PolarHBondContact O-N 2.83Å; F176-P178 HydrophobicContact CD2-CG 4.33Å; F176-P178 HydrophobicContact CE2-CG 4.07Å; F176-P178 WeakPolarHBondContact O-CD 3.27Å
177N79.4Confident72.4Confident84 Ų8496.9 Ų96.945%0.44956%0.559SS.*  trans-87.8116.6169175.75.9000109.1G179 D180 T181N177-G179 PolarHBondContact O-N 2.76Å; N177-G179 VanDerWaalsContact O-N 3.15Å; N177-G179 PolarHBondContact OD1-N 3.5Å; N177-D180 HydrophobicContact CB-CB 4.14Å; N177-D180 VanDerWaalsContact CB-OD2 3.27Å; N177-D180 WeakPolarHBondContact CB-OD2 3.46Å; N177-D180 PolarHBondContact ND2-OD1 2.8Å; N177-D180 PolarHBondContact ND2-OD2 3.16Å; N177-D180 PolarHBondContact O-N 2.84Å; N177-D180 VanDerWaalsContact O-N 3.11Å; N177-T181 PolarHBondContact O-N 3.18Å; N177-T181 PolarHBondContact O-OG1 3.5Å
178P78.5Confident73.6Confident71 Ų71100 Ų10046%0.46157%0.572SS.*Hα-helixtrans-58.7-27.6178.7-23.834000113.7F176 N182F176-P178 HydrophobicContact CD2-CG 4.33Å; F176-P178 HydrophobicContact CE2-CG 4.07Å; F176-P178 WeakPolarHBondContact O-CD 3.27Å; P178-N182 WeakPolarHBondContact O-CB 3.44Å; P178-N182 VanDerWaalsContact O-CG 3.29Å; P178-N182 PolarHBondContact O-N 3.13Å; P178-N182 PolarHBondContact O-ND2 3.5Å
179G83Confident74.8Confident41 Ų4199.8 Ų99.842%0.42357%0.57SS.*Hα-helixtrans-64.9-49.2174.400000112.1N177 N182 A183N177-G179 PolarHBondContact O-N 2.76Å; N177-G179 VanDerWaalsContact O-N 3.15Å; N177-G179 PolarHBondContact OD1-N 3.5Å; G179-N182 PolarHBondContact O-N 3.21Å; G179-A183 WeakPolarHBondContact O-CB 3.37Å; G179-A183 PolarHBondContact O-N 3.34Å
180D81.9Confident76.1Confident106 Ų106103.1 Ų103.157%0.56757%0.572SS**Hα-helixtrans-69-38.3-179.3-58.8-25.8000111.3N177 A183 L184N177-D180 HydrophobicContact CB-CB 4.14Å; N177-D180 VanDerWaalsContact CB-OD2 3.27Å; N177-D180 WeakPolarHBondContact CB-OD2 3.46Å; N177-D180 PolarHBondContact ND2-OD1 2.8Å; N177-D180 PolarHBondContact ND2-OD2 3.16Å; N177-D180 PolarHBondContact O-N 2.84Å; N177-D180 VanDerWaalsContact O-N 3.11Å; D180-A183 PolarHBondContact O-N 3.02Å; D180-L184 WeakPolarHBondContact O-CB 3.45Å; D180-L184 PolarHBondContact O-N 2.86Å
181T86.3Confident77.1Confident64 Ų6495.3 Ų95.339%0.39355%0.554SS.*Hα-helixtrans-59.2-47.1172.5-52.40000111.3N177 L184 V185N177-T181 PolarHBondContact O-N 3.18Å; N177-T181 PolarHBondContact O-OG1 3.5Å; T181-L184 PolarHBondContact O-N 3.27Å; T181-V185 WeakPolarHBondContact O-CG2 3.42Å; T181-V185 PolarHBondContact O-N 3.39Å
182N86.3Confident77.9Confident112 Ų11296 Ų9660%0.59955%0.551SS**Hα-helixtrans-67.7-35.3177.7-76.8-33.9000112.7P178 G179 A186P178-N182 WeakPolarHBondContact O-CB 3.44Å; P178-N182 VanDerWaalsContact O-CG 3.29Å; P178-N182 PolarHBondContact O-N 3.13Å; P178-N182 PolarHBondContact O-ND2 3.5Å; G179-N182 PolarHBondContact O-N 3.21Å; N182-A186 VanDerWaalsContact O-CB 3.29Å; N182-A186 WeakPolarHBondContact O-CB 3.44Å; N182-A186 PolarHBondContact O-N 3.22Å
183A84.5Confident78.6Confident57 Ų5792.8 Ų92.847%0.47155%0.552SS.*Hα-helixtrans-64.9-44.4174.100000111.6G179 D180 A186 A187G179-A183 WeakPolarHBondContact O-CB 3.37Å; G179-A183 PolarHBondContact O-N 3.34Å; D180-A183 PolarHBondContact O-N 3.02Å; A183-A186 PolarHBondContact O-N 3.33Å; A183-A187 WeakPolarHBondContact O-CB 3.25Å; A183-A187 PolarHBondContact O-N 2.88Å
184L84.4Confident79.4Confident122 Ų12288.9 Ų88.964%0.63954%0.54SS*.Hα-helixtrans-63-46.2176.6-167.475.7000111.5D180 T181 A186 A187 V188D180-L184 WeakPolarHBondContact O-CB 3.45Å; D180-L184 PolarHBondContact O-N 2.86Å; T181-L184 PolarHBondContact O-N 3.27Å; L184-A186 VanDerWaalsContact C-N 3.32Å; L184-A186 PolarHBondContact O-N 2.97Å; L184-A187 PolarHBondContact O-N 3.04Å; L184-V188 WeakPolarHBondContact O-CG2 3.35Å; L184-V188 PolarHBondContact O-N 3.11Å
185V87.5Confident79.7Confident82 Ų8289.9 Ų89.950%0.49755%0.549SS..Hα-helixtrans-60.7-41.4175.3170.10000111.1T181 V188 A189T181-V185 WeakPolarHBondContact O-CG2 3.42Å; T181-V185 PolarHBondContact O-N 3.39Å; V185-V188 PolarHBondContact O-N 3.32Å; V185-A189 VanDerWaalsContact O-CB 3.25Å; V185-A189 WeakPolarHBondContact O-CB 3.13Å; V185-A189 PolarHBondContact O-N 3.12Å
186A85.6Confident79.4Confident21 Ų2193.6 Ų93.617%0.17455%0.549CS..Hα-helixtrans-68.5-33.5177.200000113.4N182 A183 L184 F190 G191 K192N182-A186 VanDerWaalsContact O-CB 3.29Å; N182-A186 WeakPolarHBondContact O-CB 3.44Å; N182-A186 PolarHBondContact O-N 3.22Å; A183-A186 PolarHBondContact O-N 3.33Å; L184-A186 VanDerWaalsContact C-N 3.32Å; L184-A186 PolarHBondContact O-N 2.97Å; A186-F190 CarbonylContact O-C 3.57Å; A186-F190 WeakPolarHBondContact O-CB 3.35Å; A186-F190 PolarHBondContact O-N 3.32Å; A186-F190 VanDerWaalsContact O-N 3.14Å; A186-G191 PolarHBondContact O-N 3.15Å; A186-K192 HydrophobicContact CB-CB 4.15Å; A186-K192 HydrophobicContact CB-CD 4.18Å; A186-K192 WeakPolarHBondContact O-CB 3.42Å; A186-K192 PolarHBondContact O-N 3.06Å; A186-K192 VanDerWaalsContact O-N 3.14Å
187A84.6Confident78.4Confident22 Ų2293.1 Ų93.118%0.18256%0.559CS.*Hα-helixtrans-69.2-42.9173.600000111.8A183 L184 G191 K192A183-A187 WeakPolarHBondContact O-CB 3.25Å; A183-A187 PolarHBondContact O-N 2.88Å; L184-A187 PolarHBondContact O-N 3.04Å; A187-G191 WeakPolarHBondContact O-CA 3.32Å; A187-G191 PolarHBondContact O-N 2.87Å; A187-K192 WeakPolarHBondContact CA-O 3.47Å
188V83.3Confident77.3Confident121 Ų12199.9 Ų99.973%0.73358%0.578SS**Hα-helixtrans-73.5-47.3-179.3172.60000112.2L184 V185L184-V188 WeakPolarHBondContact O-CG2 3.35Å; L184-V188 PolarHBondContact O-N 3.11Å; V185-V188 PolarHBondContact O-N 3.32Å
189A82.3Confident75.9Confident62 Ų62101.6 Ų101.651%0.51259%0.59SS.*Hα-helixtrans-81.1-28.9-174.800000113.9V185V185-A189 VanDerWaalsContact O-CB 3.25Å; V185-A189 WeakPolarHBondContact O-CB 3.13Å; V185-A189 PolarHBondContact O-N 3.12Å
190F82.8Confident74.3Confident173 Ų173106.1 Ų106.176%0.75961%0.612SS**Hα-helixtrans-130.44.6-172.5-52.5-70.8000114.3A186 K192A186-F190 CarbonylContact O-C 3.57Å; A186-F190 WeakPolarHBondContact O-CB 3.35Å; A186-F190 PolarHBondContact O-N 3.32Å; A186-F190 VanDerWaalsContact O-N 3.14Å; F190-K192 PolarHBondContact O-N 3.07Å
191G77.3Confident72.3Confident36 Ų36104 Ų10437%0.37162%0.615SS.*  trans66.411.5-177.300000114.5A186 A187 G193 L194A186-G191 PolarHBondContact O-N 3.15Å; A187-G191 WeakPolarHBondContact O-CA 3.32Å; A187-G191 PolarHBondContact O-N 2.87Å; G191-G193 PolarHBondContact O-N 3.15Å; G191-L194 PolarHBondContact O-N 3.43Å; G191-L194 VanDerWaalsContact O-N 3.12Å
192K76Confident70.3Confident158 Ų158107.6 Ų107.669%0.68764%0.639SS**THydrogen-bonded Turntrans-68.3117.3-170.3-168.4179.1-178.5-178.50110.6A186 A187 F190A186-K192 HydrophobicContact CB-CB 4.15Å; A186-K192 HydrophobicContact CB-CD 4.18Å; A186-K192 WeakPolarHBondContact O-CB 3.42Å; A186-K192 PolarHBondContact O-N 3.06Å; A186-K192 VanDerWaalsContact O-N 3.14Å; A187-K192 WeakPolarHBondContact CA-O 3.47Å; F190-K192 PolarHBondContact O-N 3.07Å
193G71.8Confident68.5Low78 Ų78111.4 Ų111.480%0.80466%0.656SS**THydrogen-bonded Turntrans94.8-4.6-177.700000115G191G191-G193 PolarHBondContact O-N 3.15Å
194L74.7Confident66.3Low119 Ų119113 Ų11362%0.62367%0.67SS**  trans-86.9116.8175.3-60-179.1000111G191 K196G191-L194 PolarHBondContact O-N 3.43Å; G191-L194 VanDerWaalsContact O-N 3.12Å; L194-K196 PolarHBondContact O-N 2.91Å
195S68.9Low64.2Low104 Ų104113.6 Ų113.673%0.72768%0.68SS**  trans-62.7126175-620000111.2C197S195-C197 PolarHBondContact O-N 3.24Å
196K59.4Low61.6Low209 Ų209112.8 Ų112.891%0.90969%0.689SS**  trans-74.871.8175.4-67.5-177.2180178.50111.1L194 R198L194-K196 PolarHBondContact O-N 2.91Å; K196-R198 VanDerWaalsContact C-N 3.31Å; K196-R198 PolarHBondContact O-N 3.01Å
197C48.2Very low59.4Low113 Ų113120.9 Ų120.976%0.76472%0.722SS**  trans-66.186.4172.8-67.10000110.5S195 P199S195-C197 PolarHBondContact O-N 3.24Å; C197-P199 WeakPolarHBondContact O-CD 3.29Å
198R56.1Low57.5Low226 Ų226126 Ų12685%0.85375%0.754SS**  trans-67.2120.9165.6177.6-177.2-73.7-176.2-3.5107.8K196K196-R198 VanDerWaalsContact C-N 3.31Å; K196-R198 PolarHBondContact O-N 3.01Å
199P49.9Very low55.2Low107 Ų107123.8 Ų123.870%0.69576%0.755SS**  trans-64.4139.8173.827-33.6000110.1C197 G201C197-P199 WeakPolarHBondContact O-CD 3.29Å; P199-G201 PolarHBondContact O-N 2.9Å; P199-G201 VanDerWaalsContact O-N 3.13Å
200P47.6Very low52.9Low137 Ų137130.6 Ų130.689%0.8978%0.777SS**  trans-64.9111.6174.8-21.633.8000111.3
201G41.5Very low50.5Low62 Ų62125.9 Ų125.964%0.63978%0.776SS**PPolyproline II helixtrans-81.7158.2169.700000111.9P199P199-G201 PolarHBondContact O-N 2.9Å; P199-G201 VanDerWaalsContact O-N 3.13Å
202P44.5Very low48.9Very low139 Ų139130.5 Ų130.590%0.90380%0.8SS**PPolyproline II helixtrans-69.9143.7-165.6-20.333.8000114.7
203M47Very low47Very low191 Ų191131.3 Ų131.394%0.94181%0.809SS**PPolyproline II helixtrans-73.8137.6164.5-73.9179.7165.800110.6
204A39.7Very low45.4Very low92 Ų92136 Ų13676%0.7681%0.811SS**PPolyproline II helixtrans-84.4148.216700000110.7
205P39.3Very low43.4Very low133 Ų133135.6 Ų135.686%0.86482%0.819SS**PPolyproline II helixtrans-88.1134.2-173.3-1.821.2000112.9
206G34.2Very low41.7Very low65 Ų65134.1 Ų134.167%0.6782%0.82SS**  trans116.498.8153.900000116.8
207H38.6Very low40.7Very low191 Ų191127.5 Ų127.588%0.88481%0.811SS**  -169.3141.7129.1-103.978.7000109.2
208P44Very low40.4Very low130 Ų130128.5 Ų128.584%0.84482%0.816SS**  trans-83.4129.2173.932.2-31.7000111.3
209G35.6Very low39.5Very low74 Ų74123.7 Ų123.776%0.76381%0.812SS**  trans-149.2139.9178.600000111.9G211G209-G211 PolarHBondContact O-N 2.86Å
210Q34.1Very low39Very low206 Ų206127.2 Ų127.296%0.96382%0.824SS**  trans-90.1105.9-161.7-66.7167.7-35.200114.8
211G33Very low38.5Very low73 Ų73129.6 Ų129.675%0.75382%0.823SS**  trans63.3-171.1149.200000119.1G209G209-G211 PolarHBondContact O-N 2.86Å
212P43.6Very low38Very low134 Ų134134.7 Ų134.787%0.8783%0.83SS**  cis-116.7170.7-4.840.6-29.1000115.5
213M36.2Very low37.5Very low175 Ų175134.4 Ų134.486%0.86283%0.826SS**  trans-39.1126.1175-169.9-178.6-160.300118.8
214M38.1Very low36.7Very low175 Ų175131.1 Ų131.186%0.86282%0.817SS**  trans-153117.9139-76.3-53.5-114.600106.4
215S32Very low36.6Very low111 Ų111134.8 Ų134.878%0.77682%0.822SS**  68.8118.562.3-163.80000113.7
216G33.6Very low36.2Very low74 Ų74131.7 Ų131.776%0.76381%0.814SS**  trans104.975.7168.300000116.8
217G38.1Very low35.9Very low69 Ų69132.8 Ų132.871%0.71183%0.825SS**PPolyproline II helixtrans-81.9132.2162.800000111.3T219G217-T219 PolarHBondContact O-N 2.96Å
218P42Very low35.5Very low135 Ų135127.8 Ų127.888%0.87783%0.825SS**PPolyproline II helixtrans-72.3120.1176.6-15.330000111.4
219T37.7Very low34.7Very low124 Ų124125.4 Ų125.476%0.76183%0.825SS**PPolyproline II helixtrans-72.4149.7170.9440000111.4G217 Q221G217-T219 PolarHBondContact O-N 2.96Å; T219-Q221 PolarHBondContact O-N 3.39Å
220L39.7Very low34.4Very low181 Ų181125.6 Ų125.695%0.94883%0.826SS**  trans-58.1106.9166.7-83.3160.6000109.6Q222L220-Q222 PolarHBondContact O-N 3.43Å
221Q35.1Very low34.3Very low187 Ų187123.9 Ų123.987%0.87482%0.818SS**  trans-90.196.5178.5-152.6165.331.500110.4T219T219-Q221 PolarHBondContact O-N 3.39Å
222Q33Very low34.2Very low169 Ų169128.4 Ų128.479%0.7982%0.82SS**  trans-59.1142.8176.2178.7176.4-26.500111.7L220 T224L220-Q222 PolarHBondContact O-N 3.43Å; Q222-T224 PolarHBondContact O-N 3.3Å
223V32.2Very low33.6Very low134 Ų134126.1 Ų126.181%0.81281%0.812SS**  trans-67113.5179.1-1750000110.1
224T32Very low33.3Very low121 Ų121121.4 Ų121.474%0.74281%0.808SS**  trans-113.1116.1172.1-65.50000109.2Q222 G226Q222-T224 PolarHBondContact O-N 3.3Å; T224-G226 PolarHBondContact O-N 3.17Å
225I35.9Very low33.1Very low170 Ų170122.5 Ų122.587%0.87281%0.814SS**  trans-76.2101.8170.6-63.7175.9000107.7
226G30.6Very low33Very low68 Ų68121 Ų12170%0.70182%0.815SS**  trans-110.7119.4175.600000111.3T224T224-G226 PolarHBondContact O-N 3.17Å
227G29Very low32.9Very low87 Ų87121.1 Ų121.190%0.89782%0.817SS**  trans-79.7149.6166.600000111.4
228G29.3Very low33.2Very low86 Ų86123.4 Ų123.489%0.88782%0.82SS**  trans-162.5154.6175.400000111
229G27.6Very low32.9Very low81 Ų81124 Ų12484%0.83582%0.82SS**  trans-155.1158.8-177.600000113.7
230G28.8Very low32.8Very low77 Ų77122.9 Ų122.979%0.79482%0.823SS**  trans82.6145.1-172.400000112.7
231Q32.2Very low33.1Very low170 Ų170119.9 Ų119.979%0.79482%0.815SS**  cis-140.7-172.6-2.8-53.1-176.4900107.8
232Q32.2Very low32.9Very low168 Ų168119 Ų11979%0.78581%0.811SS**  cis-154-161.86-145.5-179.283.700105.3
233A31Very low32.9Very low87 Ų87117.9 Ų117.972%0.71981%0.806SS**  cis-159.3171.8-1.100000109.5
234G29.9Very low32.9Very low75 Ų75120.2 Ų120.277%0.77381%0.807SS**  trans169.8125.4170.200000112.8
235M33.1Very low33Very low198 Ų198118 Ų11898%0.97581%0.808SS**  trans-83.9153.7-167.8-56.2104.370.700115.9
236G30.9Very low33.3Very low79 Ų79119.1 Ų119.181%0.81481%0.81SS**  trans128.4129.1130.500000119.1
237G31.3Very low33.8Very low77 Ų77122 Ų12279%0.79482%0.817SS**  trans109142.2159.400000116.3
238P44.8Very low34.1Very low118 Ų118121.5 Ų121.577%0.76681%0.811SS**  trans-123.1147.4-161.842-28.5000118.4
239V34.3Very low34.7Very low146 Ų146127.4 Ų127.489%0.88581%0.812SS**  trans56.7116.2148.3-57.60000123.4
240A37.2Very low35.2Very low101 Ų101132.4 Ų132.484%0.83582%0.816SS**  trans-157.7146.4137.300000109.6
241P44.8Very low35.7Very low118 Ų118134.3 Ų134.377%0.76682%0.815SS**  trans-122.6132.3-174.137.3-24000116
242Q31.6Very low35.9Very low169 Ų169131.6 Ų131.679%0.7981%0.814SS**  trans-167.3141.3139.8-117.6175.5-79.200116.4
243Q33.5Very low36.1Very low146 Ų146128.9 Ų128.968%0.68281%0.814SS**  trans49.6108.7143.9-79.5170.40.200123.4
244Q32.1Very low36.7Very low182 Ų182131.7 Ų131.785%0.8582%0.815SS**  79.7110.2105.1-162167.20.500120.3
245G33.6Very low37.5Very low74 Ų74137.4 Ų137.476%0.76382%0.819SS**  trans-173.3124.7161.500000112.7
246Q42.3Very low38.2Very low195 Ų195133.6 Ų133.691%0.91181%0.807SS**  trans-104.9135.2170.8-75.1-169.93.900110.8
247P39.9Very low38.5Very low129 Ų129137.8 Ų137.884%0.83881%0.811SS**  trans-91.4104.4169.433.1-29.6000111.4
248G36.4Very low39.3Very low75 Ų75141 Ų14177%0.77381%0.808SS**  trans-78.4136.5174.100000112.8
249K40.6Very low39.4Very low211 Ų211145 Ų14592%0.91781%0.813SS**  trans-78.6136.6171.2-62.6176.9-178.6177.10110
250M38.1Very low40Very low186 Ų186143.1 Ų143.192%0.91681%0.807SS**  trans-120.4121.8174.4-154.1172.1-162.800110.5
251P40.4Very low40.1Very low117 Ų117143 Ų14376%0.7681%0.805SS**  trans-83142.9-179.432.7-33.7000111.9
252S36.8Very low40.1Very low113 Ų113143.3 Ų143.379%0.7981%0.811SS**  trans-85.5139.3173.5-174.10000111.3
253S35.5Very low40.7Very low110 Ų110139.6 Ų139.677%0.76981%0.809SS**  trans-135.980.9-179.354.50000112.4
254I44.5Very low41.5Very low147 Ų147137.2 Ų137.275%0.75481%0.808SS**  trans-78.6121.4168.9-64.2175.4000108.9
255K46.4Very low41.9Very low195 Ų195136.8 Ų136.885%0.84881%0.809SS**  trans-112.5103.6168.3-77.9-172.8174.4-177.50110N257K255-N257 PolarHBondContact O-N 3.14Å
256T47.1Very low42.3Very low118 Ų118141.4 Ų141.472%0.72481%0.81SS**  trans-77114.6171.114.80000110.5
257N38Very low42.7Very low167 Ų167137.7 Ų137.789%0.89380%0.803SS**  trans-94.294.8169.1-98.7-31000109.5K255K255-N257 PolarHBondContact O-N 3.14Å
258I46.4Very low42.7Very low145 Ų145142.3 Ų142.374%0.74481%0.805SS**  trans-95.3107.9168.3-58.8175.9000107.4
259K48.8Very low43.1Very low201 Ų201146.4 Ų146.487%0.87481%0.809SS**  trans-107.391.3176.2-166.4178.2-175.7-176.60109.9A261K259-A261 PolarHBondContact O-N 3.41Å
260S45.3Very low43.3Very low106 Ų106151.3 Ų151.374%0.74182%0.822SS**  trans-59.3124.2176-52.20000110.9
261A39.6Very low43.6Very low98 Ų98149.6 Ų149.681%0.8182%0.817SS**  trans-110.876.5178.800000110.6K259 A263K259-A261 PolarHBondContact O-N 3.41Å; A261-A263 PolarHBondContact O-N 3.14Å
262S45.6Very low43.7Very low125 Ų125151.3 Ų151.387%0.87482%0.82SS**  trans-77.893170.654.20000110.1
263A42.7Very low44.1Very low92 Ų92153.4 Ų153.476%0.7682%0.822SS**  trans-138119.217400000110.1A261A261-A263 PolarHBondContact O-N 3.14Å
264S50.4Low44.6Very low95 Ų95156 Ų15666%0.66483%0.825SS**  trans-82.1126.2177.4177.90000110.9
265M42.1Very low44.6Very low174 Ų174156.6 Ų156.686%0.85783%0.83SS**  trans-142.1101.8166.1-73-86.371.600108.9
266H41.9Very low44.5Very low170 Ų170154 Ų15479%0.78783%0.828SS**  trans-88.9123.7169.7-73.6-90.7000110Y268H266-Y268 PolarHBondContact O-N 2.93Å
267P49.6Very low44.3Very low118 Ų118156.6 Ų156.677%0.76684%0.836SS**  trans-101.757.3178.339.1-33.7000112.2
268Y40.9Very low44.8Very low226 Ų226155.8 Ų155.889%0.88683%0.831SS**  trans-132.7109.6161.9-81.1-73.1000109.4H266H266-Y268 PolarHBondContact O-N 2.93Å
269N44.9Very low44.7Very low160 Ų160156.7 Ų156.786%0.85684%0.839SS**  trans-129.4154.9161-1575.2000107.4
270R44Very low44.3Very low315 Ų315152.6 Ų152.6100%1.18984%0.836SS**  trans-62.60-165-66177.6176.7170-2.7114.5

Retrieved 270 of 270 residues in 177.5 ms (Link to these results)