A0A087XIQ9_POEFO Loading...

COMM domain containing 4

AlphaFold DB , UniProt , Accession A0A087XIQ9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 199 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
1M55.8Low66.1Low161 Ų16178.5 Ų78.579%0.79338%0.381SS*.  0128.20-74.6177.4171.200106.6F3 D10M1-F3 HydrophobicContact CB-CE2 4.36Å; M1-F3 HydrophobicContact CB-CZ 4.31Å; M1-F3 WeakPolarHBondContact O-CD2 3.39Å; M1-F3 WeakPolarHBondContact O-CE2 3.41Å; M1-D10 VanDerWaalsContact C-OD1 3.3Å; M1-D10 PolarHBondContact N-OD1 3.12Å
2R61.7Low67.1Low199 Ų19975.3 Ų75.375%0.75137%0.371SS*.  trans-79.1129.5-175.1-63.6-177.4-179.6174.2-0.9110.3D8R2-D8 WeakPolarHBondContact CB-O 3.48Å; R2-D8 WeakPolarHBondContact CD-O 3.32Å; R2-D8 VanDerWaalsContact CG-O 3.25Å; R2-D8 WeakPolarHBondContact CG-O 3.44Å
3F69.2Low68Low12 Ų1279.9 Ų79.95%0.05340%0.399CS..BIsolated β-bridgetrans-110.2130.7179.3-63.6-80.2000110.2M1 F5 C6 G7 D8 L9 C11 E92 Q95 L96M1-F3 HydrophobicContact CB-CE2 4.36Å; M1-F3 HydrophobicContact CB-CZ 4.31Å; M1-F3 WeakPolarHBondContact O-CD2 3.39Å; M1-F3 WeakPolarHBondContact O-CE2 3.41Å; F3-F5 VanDerWaalsContact C-N 3.3Å; F3-F5 HydrophobicContact CB-CD1 3.78Å; F3-F5 HydrophobicContact CB-CE1 3.64Å; F3-F5 HydrophobicContact CB-CZ 4.42Å; F3-F5 HydrophobicContact CD1-CD1 4.44Å; F3-F5 AromaticContact CD1-CE1 3.9Å; F3-F5 HydrophobicContact CD1-CE1 3.9Å; F3-F5 HydrophobicContact CG-CD1 4.36Å; F3-F5 AromaticContact CG-CE1 3.79Å; F3-F5 HydrophobicContact CG-CE1 3.79Å; F3-F5 PolarHBondContact O-N 3.07Å; F3-C6 HydrophobicContact CB-CB 4.2Å; F3-C6 CarbonylContact O-C 3.54Å; F3-C6 PolarHBondContact O-N 2.97Å; F3-C6 VanDerWaalsContact O-N 3.08Å; F3-G7 PolarHBondContact O-N 3.38Å; F3-D8 WeakPolarHBondContact O-CA 3.47Å; F3-D8 PolarHBondContact O-N 3.11Å; F3-L9 PolarHBondContact N-O 3.12Å; F3-L9 VanDerWaalsContact N-O 3.08Å; F3-C11 HydrophobicContact CD2-CB 3.74Å; F3-C11 HydrophobicContact CE2-CB 3.72Å; F3-E92 HydrophobicContact CD1-CB 3.86Å; F3-E92 HydrophobicContact CD1-CG 3.95Å; F3-E92 HydrophobicContact CE1-CB 4.46Å; F3-Q95 HydrophobicContact CE1-CB 4.27Å; F3-L96 HydrophobicContact CD1-CG 4.41Å; F3-L96 HydrophobicContact CE1-CD1 4.32Å; F3-L96 HydrophobicContact CE1-CD2 3.81Å; F3-L96 HydrophobicContact CE1-CG 3.67Å; F3-L96 HydrophobicContact CE2-CD2 3.76Å; F3-L96 HydrophobicContact CZ-CD2 3.32Å; F3-L96 HydrophobicContact CZ-CG 3.74Å
4R61.5Low69.1Low120 Ų12082.7 Ų82.745%0.45340%0.402SS..G310 helixtrans-67.4-30.7177.7-70.4-174.5-82.5165.8-10.2111.9C6 G7 V84 D85 S88 E92R4-C6 PolarHBondContact O-N 3.04Å; R4-G7 PolarHBondContact O-N 3.06Å; R4-V84 HydrophobicContact CB-CG2 4.32Å; R4-D85 IonicContact NH1-OD1 3.69Å; R4-S88 PolarHBondContact NH1-OG 3.38Å; R4-S88 PolarHBondContact NH2-OG 2.87Å; R4-E92 WeakPolarHBondContact CB-OE1 3.44Å; R4-E92 PolarHBondContact N-OE1 2.86Å; R4-E92 PolarHBondContact N-OE2 3.43Å; R4-E92 IonicContact NE-OE1 3.63Å
5F69.4Low70Confident0 Ų077.2 Ų77.20%038%0.375CS..G310 helixtrans-65.3-20.3173.385.3-97000112.8F3 F74 I75 S78 A79 H82 V84 L89 E92 L96F3-F5 VanDerWaalsContact C-N 3.3Å; F3-F5 HydrophobicContact CB-CD1 3.78Å; F3-F5 HydrophobicContact CB-CE1 3.64Å; F3-F5 HydrophobicContact CB-CZ 4.42Å; F3-F5 HydrophobicContact CD1-CD1 4.44Å; F3-F5 AromaticContact CD1-CE1 3.9Å; F3-F5 HydrophobicContact CD1-CE1 3.9Å; F3-F5 HydrophobicContact CG-CD1 4.36Å; F3-F5 AromaticContact CG-CE1 3.79Å; F3-F5 HydrophobicContact CG-CE1 3.79Å; F3-F5 PolarHBondContact O-N 3.07Å; F5-F74 HydrophobicContact CE2-CE1 4.33Å; F5-I75 HydrophobicContact CE2-CG1 4.37Å; F5-S78 CarbonylContact O-C 3.52Å; F5-S78 VanDerWaalsContact O-C 3.26Å; F5-S78 WeakPolarHBondContact O-CB 3.3Å; F5-A79 HydrophobicContact CB-CB 4.38Å; F5-H82 PolarHBondContact O-ND1 3.13Å; F5-V84 HydrophobicContact CB-CG2 4.31Å; F5-L89 HydrophobicContact CB-CD1 4.01Å; F5-L89 HydrophobicContact CD1-CD1 4.47Å; F5-L89 HydrophobicContact CG-CD1 4.32Å; F5-E92 HydrophobicContact CD1-CB 4.11Å; F5-E92 WeakPolarHBondContact CD1-OE2 3.47Å; F5-E92 HydrophobicContact CE1-CB 4.45Å; F5-E92 PolarHBondContact N-OE2 2.77Å; F5-L96 HydrophobicContact CE1-CD1 3.61Å; F5-L96 HydrophobicContact CZ-CD1 3.79Å
6C62Low70.6Confident12 Ų1277.1 Ų77.18%0.08138%0.377CS..G310 helixtrans-95.76.7172.3-69.80000113.4F3 R4 L9F3-C6 HydrophobicContact CB-CB 4.2Å; F3-C6 CarbonylContact O-C 3.54Å; F3-C6 PolarHBondContact O-N 2.97Å; F3-C6 VanDerWaalsContact O-N 3.08Å; R4-C6 PolarHBondContact O-N 3.04Å; C6-L9 HydrophobicContact CB-CB 4.22Å; C6-L9 WeakPolarHBondContact CB-O 3.19Å; C6-L9 WeakPolarHBondContact O-CB 3.39Å
7G62.7Low71.2Confident30 Ų3076 Ų7631%0.30938%0.383SS..THydrogen-bonded Turntrans71.342.1-175.500000113.1F3 R4 L9 H82F3-G7 PolarHBondContact O-N 3.38Å; R4-G7 PolarHBondContact O-N 3.06Å; G7-L9 PolarHBondContact O-N 3.49Å; G7-H82 VanDerWaalsContact CA-CD2 3.44Å; G7-H82 WeakPolarHBondContact CA-CD2 3.33Å; G7-H82 WeakPolarHBondContact CA-NE2 3.49Å; G7-H82 PolarHBondContact N-CE1 3.44Å
8D69.2Low71.8Confident95 Ų9574.2 Ų74.251%0.50837%0.373SS..SBendtrans64.919.6-176.6-60.8-49.5000114.8R2 F3R2-D8 WeakPolarHBondContact CB-O 3.48Å; R2-D8 WeakPolarHBondContact CD-O 3.32Å; R2-D8 VanDerWaalsContact CG-O 3.25Å; R2-D8 WeakPolarHBondContact CG-O 3.44Å; F3-D8 WeakPolarHBondContact O-CA 3.47Å; F3-D8 PolarHBondContact O-N 3.11Å
9L67.8Low72.3Confident118 Ų11870.6 Ų70.662%0.61836%0.355SS*.BIsolated β-bridgetrans-96.3162173.2-64168.4000111.3F3 C6 G7F3-L9 PolarHBondContact N-O 3.12Å; F3-L9 VanDerWaalsContact N-O 3.08Å; C6-L9 HydrophobicContact CB-CB 4.22Å; C6-L9 WeakPolarHBondContact CB-O 3.19Å; C6-L9 WeakPolarHBondContact O-CB 3.39Å; G7-L9 PolarHBondContact O-N 3.49Å
10D73.4Confident72.6Confident110 Ų11070.7 Ų70.759%0.58836%0.362SS*.PPolyproline II helixtrans-67.2144.4169.8-76.6-54.1000110.2M1M1-D10 VanDerWaalsContact C-OD1 3.3Å; M1-D10 PolarHBondContact N-OD1 3.12Å
11C74.3Confident72.9Confident6 Ų668 Ų684%0.04135%0.349CS..PPolyproline II helixtrans-66.9133.7174.4-169.10000109.3F3 V15 L16 L96F3-C11 HydrophobicContact CD2-CB 3.74Å; F3-C11 HydrophobicContact CE2-CB 3.72Å; C11-V15 WeakPolarHBondContact SG-CG1 3.28Å; C11-L16 HydrophobicContact CB-CD2 4.15Å; C11-L16 HydrophobicContact CB-CG 4.32Å; C11-L96 HydrophobicContact CB-CD2 4Å
12P78Confident73.9Confident40 Ų4060.3 Ų60.326%0.2631%0.311SS..PPolyproline II helixtrans-64.9143.6-177.825.3-34.1000112.1W14 V15 L16 F74P12-W14 PolarHBondContact O-N 3.15Å; P12-W14 VanDerWaalsContact O-N 3.1Å; P12-V15 HydrophobicContact CG-CB 4.26Å; P12-V15 HydrophobicContact CG-CG2 3.77Å; P12-V15 WeakPolarHBondContact O-CB 3.25Å; P12-V15 PolarHBondContact O-N 2.78Å; P12-L16 PolarHBondContact O-N 3.14Å; P12-F74 HydrophobicContact CG-CE1 4Å; P12-F74 HydrophobicContact CG-CZ 4.02Å
13D79.1Confident74.7Confident136 Ų13652.6 Ų52.673%0.72729%0.291SS*.Hα-helixtrans-57.2-32.2-171.5-64.9-40.9000114.2V15 L16 A17D13-V15 VanDerWaalsContact C-N 3.32Å; D13-V15 PolarHBondContact O-N 3.34Å; D13-L16 PolarHBondContact O-N 2.87Å; D13-A17 PolarHBondContact O-N 3.17Å
14W82.9Confident75.2Confident119 Ų11959 Ų5945%0.45132%0.318SS..Hα-helixtrans-67.5-31.7176.770.8-93.5000112.6P12 E18 A70 V71 F74P12-W14 PolarHBondContact O-N 3.15Å; P12-W14 VanDerWaalsContact O-N 3.1Å; W14-E18 WeakPolarHBondContact O-CG 3.5Å; W14-E18 PolarHBondContact O-N 2.78Å; W14-A70 HydrophobicContact CZ3-CB 4.28Å; W14-V71 HydrophobicContact CE3-CG2 4.01Å; W14-V71 HydrophobicContact CH2-CG2 4.42Å; W14-V71 HydrophobicContact CZ3-CB 4.35Å; W14-V71 HydrophobicContact CZ3-CG2 3.5Å; W14-V71 VanDerWaalsContact CZ3-CG2 3.5Å; W14-F74 HydrophobicContact CH2-CB 3.8Å; W14-F74 HydrophobicContact CH2-CD2 4.48Å; W14-F74 HydrophobicContact CH2-CG 4.03Å; W14-F74 HydrophobicContact CZ2-CB 4.2Å; W14-F74 HydrophobicContact CZ2-CD1 4.36Å; W14-F74 HydrophobicContact CZ2-CD2 4.05Å; W14-F74 AromaticContact CZ2-CG 3.93Å; W14-F74 HydrophobicContact CZ2-CG 3.93Å
15V82.6Confident76Confident0 Ų053.5 Ų53.50%030%0.298CS..Hα-helixtrans-71.5-42.1173.9171.90000109.8C11 P12 D13 A17 E18 I19 V71 F74C11-V15 WeakPolarHBondContact SG-CG1 3.28Å; P12-V15 HydrophobicContact CG-CB 4.26Å; P12-V15 HydrophobicContact CG-CG2 3.77Å; P12-V15 WeakPolarHBondContact O-CB 3.25Å; P12-V15 PolarHBondContact O-N 2.78Å; D13-V15 VanDerWaalsContact C-N 3.32Å; D13-V15 PolarHBondContact O-N 3.34Å; V15-A17 VanDerWaalsContact C-N 3.34Å; V15-A17 PolarHBondContact O-N 2.78Å; V15-E18 PolarHBondContact O-N 2.87Å; V15-I19 HydrophobicContact CG1-CD1 3.91Å; V15-I19 HydrophobicContact CG1-CG1 4.31Å; V15-I19 WeakPolarHBondContact O-CD1 3.45Å; V15-I19 VanDerWaalsContact O-CG1 3.29Å; V15-I19 WeakPolarHBondContact O-CG1 3.45Å; V15-I19 PolarHBondContact O-N 2.94Å; V15-V71 HydrophobicContact CG1-CG1 3.9Å; V15-V71 HydrophobicContact CG2-CG2 4.49Å; V15-F74 HydrophobicContact CG2-CD1 3.82Å; V15-F74 HydrophobicContact CG2-CE1 4.2Å; V15-F74 HydrophobicContact CG2-CG 4.47Å
16L80.1Confident76.5Confident75 Ų7556.3 Ų56.339%0.39332%0.317SS..Hα-helixtrans-59.7-42.9177.8-67.1175.5000112.4C11 P12 D13 E18 I19 L96C11-L16 HydrophobicContact CB-CD2 4.15Å; C11-L16 HydrophobicContact CB-CG 4.32Å; P12-L16 PolarHBondContact O-N 3.14Å; D13-L16 PolarHBondContact O-N 2.87Å; L16-E18 VanDerWaalsContact C-N 3.27Å; L16-E18 PolarHBondContact O-N 2.87Å; L16-I19 HydrophobicContact CD2-CD1 4.09Å; L16-I19 PolarHBondContact O-N 2.8Å; L16-L96 HydrophobicContact CD2-CD2 3.45Å; L16-L96 VanDerWaalsContact CD2-CD2 3.45Å
17A81.2Confident77.2Confident59 Ų5957.5 Ų57.549%0.48833%0.326SS..Hα-helixtrans-58.3-41176.800000112D13 V15 S20D13-A17 PolarHBondContact O-N 3.17Å; V15-A17 VanDerWaalsContact C-N 3.34Å; V15-A17 PolarHBondContact O-N 2.78Å; A17-S20 PolarHBondContact O-OG 2.83Å
18E81.3Confident78Confident44 Ų4460.8 Ų60.821%0.20634%0.34CS..Hα-helixtrans-88-13.4-173-68.3-59.5161.700114.7W14 V15 L16 S20 T21 L22 A67 V71W14-E18 WeakPolarHBondContact O-CG 3.5Å; W14-E18 PolarHBondContact O-N 2.78Å; V15-E18 PolarHBondContact O-N 2.87Å; L16-E18 VanDerWaalsContact C-N 3.27Å; L16-E18 PolarHBondContact O-N 2.87Å; E18-S20 PolarHBondContact O-N 3.24Å; E18-T21 WeakPolarHBondContact O-CA 3.47Å; E18-T21 VanDerWaalsContact O-CB 3.26Å; E18-T21 WeakPolarHBondContact O-CB 3.5Å; E18-T21 PolarHBondContact O-N 2.86Å; E18-T21 WeakPolarHBondContact OE2-CB 3.47Å; E18-T21 PolarHBondContact OE2-OG1 3.29Å; E18-L22 PolarHBondContact O-N 3.35Å; E18-A67 HydrophobicContact CG-CB 4.01Å; E18-V71 HydrophobicContact CB-CG2 3.55Å; E18-V71 HydrophobicContact CG-CG2 4.1Å
19I81.4Confident78.5Confident5 Ų557.8 Ų57.83%0.02632%0.322CS..Hα-helixtrans-60.1-35.6171.6-75.1155.3000111.1V15 L16 T21 L22 A23 L96 L98V15-I19 HydrophobicContact CG1-CD1 3.91Å; V15-I19 HydrophobicContact CG1-CG1 4.31Å; V15-I19 WeakPolarHBondContact O-CD1 3.45Å; V15-I19 VanDerWaalsContact O-CG1 3.29Å; V15-I19 WeakPolarHBondContact O-CG1 3.45Å; V15-I19 PolarHBondContact O-N 2.94Å; L16-I19 HydrophobicContact CD2-CD1 4.09Å; L16-I19 PolarHBondContact O-N 2.8Å; I19-T21 PolarHBondContact O-N 2.8Å; I19-L22 PolarHBondContact O-N 3.08Å; I19-A23 PolarHBondContact O-N 2.86Å; I19-L96 HydrophobicContact CD1-CB 3.68Å; I19-L96 HydrophobicContact CD1-CD1 4.05Å; I19-L96 HydrophobicContact CD1-CD2 3.78Å; I19-L96 HydrophobicContact CD1-CG 4.04Å; I19-L96 VanDerWaalsContact CG2-O 3.28Å; I19-L96 WeakPolarHBondContact CG2-O 3.32Å; I19-L98 HydrophobicContact CG1-CD1 4.25Å; I19-L98 HydrophobicContact CG2-CD1 3.87Å; I19-L98 HydrophobicContact CG2-CG 4.06Å
20S77.9Confident79.1Confident72 Ų7252.2 Ų52.250%0.50329%0.293SS..Hα-helixtrans-64.6-30.7174.475.90000112.7A17 E18A17-S20 PolarHBondContact O-OG 2.83Å; E18-S20 PolarHBondContact O-N 3.24Å
21T78.9Confident79.5Confident14 Ų1452 Ų529%0.08629%0.287CS..Hα-helixtrans-72.5-45.2175-48.30000110.2E18 I19 A23 K24 F60E18-T21 WeakPolarHBondContact O-CA 3.47Å; E18-T21 VanDerWaalsContact O-CB 3.26Å; E18-T21 WeakPolarHBondContact O-CB 3.5Å; E18-T21 PolarHBondContact O-N 2.86Å; E18-T21 WeakPolarHBondContact OE2-CB 3.47Å; E18-T21 PolarHBondContact OE2-OG1 3.29Å; I19-T21 PolarHBondContact O-N 2.8Å; T21-A23 VanDerWaalsContact C-N 3.29Å; T21-A23 PolarHBondContact O-N 2.82Å; T21-K24 WeakPolarHBondContact O-CB 3.48Å; T21-K24 PolarHBondContact O-N 2.92Å; T21-K24 VanDerWaalsContact O-N 3.11Å; T21-F60 HydrophobicContact CG2-CE1 3.74Å; T21-F60 HydrophobicContact CG2-CE2 3.91Å; T21-F60 HydrophobicContact CG2-CZ 3.4Å; T21-F60 WeakPolarHBondContact O-CZ 3.49Å
22L76.8Confident79.9Confident0 Ų055.8 Ų55.80%031%0.306CS..Hα-helixtrans-59.9-37176-71.5167.9000112.8E18 I19 K24 I25 M30 T68 V71 L72 L98E18-L22 PolarHBondContact O-N 3.35Å; I19-L22 PolarHBondContact O-N 3.08Å; L22-K24 PolarHBondContact O-N 2.79Å; L22-I25 HydrophobicContact CD2-CD1 4.49Å; L22-I25 PolarHBondContact O-N 2.86Å; L22-M30 HydrophobicContact CB-CE 4.29Å; L22-M30 HydrophobicContact CD1-CE 4.44Å; L22-M30 HydrophobicContact CD2-CE 4.02Å; L22-M30 HydrophobicContact CD2-SD 4Å; L22-T68 HydrophobicContact CD2-CG2 3.42Å; L22-T68 VanDerWaalsContact CD2-CG2 3.42Å; L22-V71 HydrophobicContact CD1-CB 4.25Å; L22-V71 HydrophobicContact CD1-CG1 3.56Å; L22-L72 HydrophobicContact CD2-CD1 4.35Å; L22-L72 HydrophobicContact CD2-CD2 4.3Å; L22-L72 HydrophobicContact CD2-CG 4.14Å; L22-L98 HydrophobicContact CB-CD2 4.32Å
23A78.4Confident80.1Confident38 Ų3853.9 Ų53.931%0.31429%0.294SS..THydrogen-bonded Turntrans-66.6-15.4178.200000114.1I19 T21 I25I19-A23 PolarHBondContact O-N 2.86Å; T21-A23 VanDerWaalsContact C-N 3.29Å; T21-A23 PolarHBondContact O-N 2.82Å; A23-I25 VanDerWaalsContact C-N 3.32Å
24K80.2Confident80.2Confident145 Ų14547.4 Ų47.463%0.6326%0.26SS*.THydrogen-bonded Turntrans-80.5-12.9177-64.3169.9-173.3167.30113T21 L22T21-K24 WeakPolarHBondContact O-CB 3.48Å; T21-K24 PolarHBondContact O-N 2.92Å; T21-K24 VanDerWaalsContact O-N 3.11Å; L22-K24 PolarHBondContact O-N 2.79Å
25I79Confident80.2Confident5 Ų543.5 Ų43.53%0.02625%0.253CS..SBendtrans-90.2147.4-176.1-52.8174.7000109.5L22 A23 K29 L33 A58 F60 T68 H102L22-I25 HydrophobicContact CD2-CD1 4.49Å; L22-I25 PolarHBondContact O-N 2.86Å; A23-I25 VanDerWaalsContact C-N 3.32Å; I25-K29 HydrophobicContact CG2-CB 3.44Å; I25-K29 VanDerWaalsContact CG2-CB 3.44Å; I25-K29 HydrophobicContact CG2-CD 4.2Å; I25-L33 HydrophobicContact CD1-CD1 3.79Å; I25-L33 HydrophobicContact CG2-CD1 4.36Å; I25-A58 HydrophobicContact CG1-CB 4.46Å; I25-F60 HydrophobicContact CD1-CE2 3.45Å; I25-F60 VanDerWaalsContact CD1-CE2 3.45Å; I25-F60 HydrophobicContact CD1-CZ 3.63Å; I25-F60 HydrophobicContact CG1-CE1 4.45Å; I25-F60 HydrophobicContact CG1-CE2 3.87Å; I25-F60 HydrophobicContact CG1-CZ 3.52Å; I25-T68 HydrophobicContact CD1-CG2 4.23Å; I25-H102 PolarHBondContact O-CE1 2.88Å; I25-H102 VanDerWaalsContact O-CE1 3.32Å; I25-H102 PolarHBondContact O-NE2 2.77Å
26S80.3Confident80.2Confident59 Ų5944.9 Ų44.941%0.41326%0.259SS..  trans-69.1153.1175.273.90000112.5V28 K29 M30S26-V28 PolarHBondContact O-N 2.66Å; S26-K29 PolarHBondContact O-N 3.16Å; S26-K29 WeakPolarHBondContact OG-CD 3.49Å; S26-K29 WeakPolarHBondContact OG-CG 3.49Å; S26-M30 PolarHBondContact O-N 2.78Å
27S75.5Confident80.3Confident37 Ų3741.4 Ų41.426%0.25924%0.241SC..Hα-helixtrans-58.6-35-178.2530000113.4K31 E101 H102S27-K31 PolarHBondContact O-N 3.29Å; S27-E101 PolarHBondContact OG-OE2 2.9Å; S27-H102 VanDerWaalsContact CA-CE1 3.44Å; S27-H102 WeakPolarHBondContact CA-CE1 3.37Å; S27-H102 VanDerWaalsContact CA-ND1 3.28Å; S27-H102 WeakPolarHBondContact CA-ND1 3.21Å; S27-H102 WeakPolarHBondContact CB-ND1 3.32Å; S27-H102 PolarHBondContact N-CE1 3.22Å; S27-H102 VanDerWaalsContact N-CE1 3.27Å
28V78.8Confident80.3Confident100 Ų10038.7 Ų38.761%0.60622%0.218SC*.Hα-helixtrans-66.2-43.7176.3-1780000111.4S26 K31 L32S26-V28 PolarHBondContact O-N 2.66Å; V28-K31 PolarHBondContact O-N 3.44Å; V28-L32 PolarHBondContact O-N 2.96Å
29K80.5Confident80.3Confident31 Ų3140.5 Ų40.514%0.13523%0.225CC..Hα-helixtrans-70.9-39.6-179.8-72.8174.2171.6-148.90111.8I25 S26 K31 L32 L33 L54 D57I25-K29 HydrophobicContact CG2-CB 3.44Å; I25-K29 VanDerWaalsContact CG2-CB 3.44Å; I25-K29 HydrophobicContact CG2-CD 4.2Å; S26-K29 PolarHBondContact O-N 3.16Å; S26-K29 WeakPolarHBondContact OG-CD 3.49Å; S26-K29 WeakPolarHBondContact OG-CG 3.49Å; K29-K31 VanDerWaalsContact C-N 3.27Å; K29-K31 PolarHBondContact O-N 3.39Å; K29-L32 PolarHBondContact O-N 3.41Å; K29-L32 VanDerWaalsContact O-N 3.12Å; K29-L33 VanDerWaalsContact O-CG 3.32Å; K29-L33 WeakPolarHBondContact O-CG 3.3Å; K29-L33 PolarHBondContact O-N 3.14Å; K29-L54 VanDerWaalsContact CD-O 3.28Å; K29-L54 WeakPolarHBondContact CD-O 3.36Å; K29-L54 WeakPolarHBondContact CE-O 3.29Å; K29-L54 PolarHBondContact NZ-O 3.34Å; K29-D57 WeakPolarHBondContact CE-OD2 3.16Å; K29-D57 VanDerWaalsContact NZ-CB 3.26Å; K29-D57 VanDerWaalsContact NZ-CG 3.27Å; K29-D57 IonicContact NZ-OD2 3.38Å; K29-D57 PolarHBondContact NZ-OD2 2.66Å
30M81.1Confident80.3Confident1 Ų142.9 Ų42.91%0.00524%0.238CC..Hα-helixtrans-54.5-45.7172.7-174.464.8157.400110.9L22 S26 L32 L33 C34 L72 L98 H102 L106L22-M30 HydrophobicContact CB-CE 4.29Å; L22-M30 HydrophobicContact CD1-CE 4.44Å; L22-M30 HydrophobicContact CD2-CE 4.02Å; L22-M30 HydrophobicContact CD2-SD 4Å; S26-M30 PolarHBondContact O-N 2.78Å; M30-L32 PolarHBondContact O-N 3.25Å; M30-L33 PolarHBondContact O-N 2.8Å; M30-C34 PolarHBondContact O-N 3.01Å; M30-C34 PolarHBondContact O-SG 2.98Å; M30-L72 HydrophobicContact CE-CD2 3.69Å; M30-L72 HydrophobicContact SD-CD1 4.47Å; M30-L72 HydrophobicContact SD-CD2 4.13Å; M30-L98 HydrophobicContact CE-CD2 3.55Å; M30-H102 HydrophobicContact CG-CB 4.22Å; M30-L106 HydrophobicContact CE-CD1 4.23Å
31K81.1Confident80.2Confident105 Ų10540.6 Ų40.646%0.45722%0.22SC..Hα-helixtrans-61-42.7176.5-168.1-179.9-178.9-177.30112.7S27 V28 K29 C34 A35S27-K31 PolarHBondContact O-N 3.29Å; V28-K31 PolarHBondContact O-N 3.44Å; K29-K31 VanDerWaalsContact C-N 3.27Å; K29-K31 PolarHBondContact O-N 3.39Å; K31-C34 PolarHBondContact O-N 3Å; K31-A35 PolarHBondContact O-N 2.81Å
32L82.1Confident80.1Confident86 Ų8642.2 Ų42.245%0.4523%0.228SC..Hα-helixtrans-66.6-38.3177.4-68.4172.2000112.2V28 K29 M30 A35 Q36 L54V28-L32 PolarHBondContact O-N 2.96Å; K29-L32 PolarHBondContact O-N 3.41Å; K29-L32 VanDerWaalsContact O-N 3.12Å; M30-L32 PolarHBondContact O-N 3.25Å; L32-A35 PolarHBondContact O-N 3.37Å; L32-Q36 PolarHBondContact O-N 2.84Å; L32-L54 HydrophobicContact CB-CD1 3.88Å; L32-L54 HydrophobicContact CD1-CD1 4.47Å; L32-L54 HydrophobicContact CD1-CD2 3.73Å
33L82.6Confident79.9Confident1 Ų145 Ų451%0.00526%0.256CS..Hα-helixtrans-64.7-46.7174.5-70.6172.7000111.1I25 K29 M30 A35 Q36 V37 V51 L54 T55 T68 L72I25-L33 HydrophobicContact CD1-CD1 3.79Å; I25-L33 HydrophobicContact CG2-CD1 4.36Å; K29-L33 VanDerWaalsContact O-CG 3.32Å; K29-L33 WeakPolarHBondContact O-CG 3.3Å; K29-L33 PolarHBondContact O-N 3.14Å; M30-L33 PolarHBondContact O-N 2.8Å; L33-A35 VanDerWaalsContact C-N 3.28Å; L33-A35 PolarHBondContact O-N 3.24Å; L33-Q36 PolarHBondContact O-N 2.79Å; L33-Q36 VanDerWaalsContact O-N 3.1Å; L33-V37 WeakPolarHBondContact O-CG2 3.48Å; L33-V37 PolarHBondContact O-N 3.01Å; L33-V51 HydrophobicContact CD2-CB 4.29Å; L33-V51 HydrophobicContact CD2-CG1 3.67Å; L33-V51 HydrophobicContact CD2-CG2 4.19Å; L33-L54 HydrophobicContact CD2-CD1 4.49Å; L33-T55 HydrophobicContact CD1-CG2 4.06Å; L33-T55 HydrophobicContact CD2-CG2 4.28Å; L33-T68 HydrophobicContact CD1-CG2 4.27Å; L33-L72 HydrophobicContact CB-CD1 3.97Å
34C82.1Confident79.5Confident0 Ų049.6 Ų49.60%027%0.271CS..Hα-helixtrans-56.5-43.4173.7-67.90000111.4M30 K31 Q36 V37 L38M30-C34 PolarHBondContact O-N 3.01Å; M30-C34 PolarHBondContact O-SG 2.98Å; K31-C34 PolarHBondContact O-N 3Å; C34-Q36 VanDerWaalsContact C-N 3.31Å; C34-Q36 PolarHBondContact O-N 3.35Å; C34-V37 PolarHBondContact O-N 3.48Å; C34-L38 WeakPolarHBondContact O-CB 3.34Å; C34-L38 WeakPolarHBondContact O-CD1 3.49Å; C34-L38 WeakPolarHBondContact O-CG 3.28Å; C34-L38 PolarHBondContact O-N 3.41Å
35A83.1Confident78.9Confident37 Ų3744.1 Ų44.131%0.30626%0.256SS..Hα-helixtrans-61.9-38.1177.500000112.6K31 L32 L33 K39K31-A35 PolarHBondContact O-N 2.81Å; L32-A35 PolarHBondContact O-N 3.37Å; L33-A35 VanDerWaalsContact C-N 3.28Å; L33-A35 PolarHBondContact O-N 3.24Å; A35-K39 WeakPolarHBondContact O-CG 3.47Å; A35-K39 PolarHBondContact O-N 3.02Å; A35-K39 VanDerWaalsContact O-N 3.17Å
36Q81.8Confident78.7Confident28 Ų2845 Ų4513%0.13126%0.261CS..Hα-helixtrans-72.6-41.4177.2-169.462.537.100112.2L32 L33 C34 L38 K39 D40 G45 I46 D47 V51L32-Q36 PolarHBondContact O-N 2.84Å; L33-Q36 PolarHBondContact O-N 2.79Å; L33-Q36 VanDerWaalsContact O-N 3.1Å; C34-Q36 VanDerWaalsContact C-N 3.31Å; C34-Q36 PolarHBondContact O-N 3.35Å; Q36-L38 VanDerWaalsContact C-N 3.31Å; Q36-L38 PolarHBondContact O-N 3.31Å; Q36-K39 WeakPolarHBondContact O-CB 3.26Å; Q36-K39 PolarHBondContact O-N 2.76Å; Q36-K39 VanDerWaalsContact O-N 3.16Å; Q36-D40 PolarHBondContact O-N 3Å; Q36-D40 VanDerWaalsContact O-N 3.08Å; Q36-G45 PolarHBondContact NE2-O 3.37Å; Q36-I46 HydrophobicContact CG-CG2 4.28Å; Q36-D47 VanDerWaalsContact NE2-N 3.13Å; Q36-V51 HydrophobicContact CB-CG2 4.43Å; Q36-V51 HydrophobicContact CG-CG2 3.86Å
37V83.4Confident78.5Confident2 Ų244.7 Ų44.71%0.01225%0.254CS..Hα-helixtrans-64.4-38.5175174.20000110.7L33 C34 K39 D40 L41 V69 L72 L76L33-V37 WeakPolarHBondContact O-CG2 3.48Å; L33-V37 PolarHBondContact O-N 3.01Å; C34-V37 PolarHBondContact O-N 3.48Å; V37-K39 VanDerWaalsContact C-N 3.3Å; V37-K39 PolarHBondContact O-N 3.5Å; V37-D40 WeakPolarHBondContact O-CB 3.05Å; V37-D40 PolarHBondContact O-N 3.27Å; V37-L41 HydrophobicContact CG1-CD1 4.26Å; V37-L41 HydrophobicContact CG1-CG 4.44Å; V37-L41 WeakPolarHBondContact O-CB 3.44Å; V37-L41 WeakPolarHBondContact O-CG 3.46Å; V37-L41 PolarHBondContact O-N 3.04Å; V37-V69 HydrophobicContact CG2-CB 4.5Å; V37-V69 HydrophobicContact CG2-CG1 4.32Å; V37-V69 HydrophobicContact CG2-CG2 4.31Å; V37-L72 HydrophobicContact CB-CB 4.39Å; V37-L72 HydrophobicContact CG1-CB 4.11Å; V37-L72 HydrophobicContact CG2-CB 4.01Å; V37-L72 HydrophobicContact CG2-CD1 4.17Å; V37-L76 HydrophobicContact CB-CD1 4.5Å; V37-L76 HydrophobicContact CG1-CD1 4.05Å
38L80.4Confident78.3Confident2 Ų248.9 Ų48.91%0.0127%0.265CS..Hα-helixtrans-63.5-35.4173.5-75.3164.1000112.2C34 Q36 L42 L76 S109 K113 L117C34-L38 WeakPolarHBondContact O-CB 3.34Å; C34-L38 WeakPolarHBondContact O-CD1 3.49Å; C34-L38 WeakPolarHBondContact O-CG 3.28Å; C34-L38 PolarHBondContact O-N 3.41Å; Q36-L38 VanDerWaalsContact C-N 3.31Å; Q36-L38 PolarHBondContact O-N 3.31Å; L38-L42 WeakPolarHBondContact O-CB 3.47Å; L38-L42 WeakPolarHBondContact O-CG 3.27Å; L38-L42 PolarHBondContact O-N 3.25Å; L38-L76 HydrophobicContact CD2-CD1 3.87Å; L38-L76 HydrophobicContact CD2-CD2 4.32Å; L38-L76 HydrophobicContact CG-CD1 3.82Å; L38-S109 WeakPolarHBondContact CD1-O 3.38Å; L38-K113 HydrophobicContact CB-CD 3.77Å; L38-K113 HydrophobicContact CD1-CB 4.42Å; L38-K113 HydrophobicContact CD1-CD 4.03Å; L38-K113 HydrophobicContact CD2-CB 4.27Å; L38-K113 HydrophobicContact CG-CD 4.33Å; L38-L117 HydrophobicContact CD2-CD2 4.44Å
39K81.9Confident77.9Confident83 Ų8349.9 Ų49.936%0.36127%0.267SS..Hα-helixtrans-65.7-40.4173.8-76.2-177.3175.6-169.20112.1A35 Q36 V37 L42 G43 E44A35-K39 WeakPolarHBondContact O-CG 3.47Å; A35-K39 PolarHBondContact O-N 3.02Å; A35-K39 VanDerWaalsContact O-N 3.17Å; Q36-K39 WeakPolarHBondContact O-CB 3.26Å; Q36-K39 PolarHBondContact O-N 2.76Å; Q36-K39 VanDerWaalsContact O-N 3.16Å; V37-K39 VanDerWaalsContact C-N 3.3Å; V37-K39 PolarHBondContact O-N 3.5Å; K39-L42 CarbonylContact O-C 3.51Å; K39-L42 WeakPolarHBondContact O-CA 3.5Å; K39-L42 PolarHBondContact O-N 2.92Å; K39-L42 VanDerWaalsContact O-N 3.13Å; K39-G43 PolarHBondContact O-N 3.27Å; K39-E44 HydrophobicContact CB-CB 4.21Å; K39-E44 WeakPolarHBondContact CD-OE2 3.31Å; K39-E44 WeakPolarHBondContact CG-OE2 3.45Å; K39-E44 PolarHBondContact O-N 3.1Å
40D81Confident77.6Confident55 Ų5554 Ų5429%0.29429%0.285SS..Hα-helixtrans-63.2-47.6174-173.157000112.4Q36 V37 L42 G43 I46Q36-D40 PolarHBondContact O-N 3Å; Q36-D40 VanDerWaalsContact O-N 3.08Å; V37-D40 WeakPolarHBondContact O-CB 3.05Å; V37-D40 PolarHBondContact O-N 3.27Å; D40-L42 PolarHBondContact O-N 3.45Å; D40-L42 VanDerWaalsContact O-N 3.14Å; D40-G43 WeakPolarHBondContact O-CA 3.45Å; D40-G43 PolarHBondContact O-N 2.8Å; D40-I46 HydrophobicContact CB-CD1 3.76Å; D40-I46 HydrophobicContact CB-CG1 3.29Å; D40-I46 WeakPolarHBondContact OD1-CG1 3.42Å
41L75.8Confident77.3Confident24 Ų2454.1 Ų54.113%0.12629%0.286CS..Hα-helixtrans-59.9-24.6173.6-74.3177.9000112.1V37 S73 L76 S77 L117 K120V37-L41 HydrophobicContact CG1-CD1 4.26Å; V37-L41 HydrophobicContact CG1-CG 4.44Å; V37-L41 WeakPolarHBondContact O-CB 3.44Å; V37-L41 WeakPolarHBondContact O-CG 3.46Å; V37-L41 PolarHBondContact O-N 3.04Å; L41-S73 WeakPolarHBondContact CD2-OG 3.2Å; L41-L76 HydrophobicContact CD1-CB 3.86Å; L41-L76 HydrophobicContact CD1-CD1 4.35Å; L41-S77 WeakPolarHBondContact CD2-OG 3.24Å; L41-L117 HydrophobicContact CB-CD1 3.63Å; L41-L117 HydrophobicContact CD1-CD1 3.98Å; L41-L117 HydrophobicContact CG-CD1 4.34Å; L41-K120 WeakPolarHBondContact O-CD 3.48Å; L41-K120 VanDerWaalsContact O-CE 3.27Å; L41-K120 WeakPolarHBondContact O-CE 3.44Å; L41-K120 PolarHBondContact O-NZ 3.28Å
42L77.3Confident76.8Confident48 Ų4850.2 Ų50.225%0.25128%0.275SS..Hα-helixtrans-87.5-7.3171.9-69.7169.7000114.3L38 K39 D40 K113 A116 K120L38-L42 WeakPolarHBondContact O-CB 3.47Å; L38-L42 WeakPolarHBondContact O-CG 3.27Å; L38-L42 PolarHBondContact O-N 3.25Å; K39-L42 CarbonylContact O-C 3.51Å; K39-L42 WeakPolarHBondContact O-CA 3.5Å; K39-L42 PolarHBondContact O-N 2.92Å; K39-L42 VanDerWaalsContact O-N 3.13Å; D40-L42 PolarHBondContact O-N 3.45Å; D40-L42 VanDerWaalsContact O-N 3.14Å; L42-K113 HydrophobicContact CD1-CD 3.95Å; L42-A116 HydrophobicContact CD2-CB 3.85Å; L42-K120 VanDerWaalsContact C-CE 3.48Å; L42-K120 WeakPolarHBondContact O-CE 3.16Å
43G71.8Confident76.6Confident57 Ų5753.5 Ų53.559%0.58829%0.286SS*.THydrogen-bonded Turntrans95.37.8174.700000114.7K39 D40 G45K39-G43 PolarHBondContact O-N 3.27Å; D40-G43 WeakPolarHBondContact O-CA 3.45Å; D40-G43 PolarHBondContact O-N 2.8Å; G43-G45 VanDerWaalsContact C-N 3.27Å
44E69.9Low76.1Confident135 Ų13555.5 Ų55.563%0.63130%0.297SS*.SBendtrans-80.7-8.5176.3-65.3178.2-173.700112.9K39K39-E44 HydrophobicContact CB-CB 4.21Å; K39-E44 WeakPolarHBondContact CD-OE2 3.31Å; K39-E44 WeakPolarHBondContact CG-OE2 3.45Å; K39-E44 PolarHBondContact O-N 3.1Å
45G67.7Low75.5Confident31 Ų3155.6 Ų55.632%0.3230%0.297SS..  trans80.2159.3178.900000114.9Q36 G43Q36-G45 PolarHBondContact NE2-O 3.37Å; G43-G45 VanDerWaalsContact C-N 3.27Å
46I74.3Confident74.8Confident24 Ų2456.6 Ų56.612%0.12331%0.306CS..  trans-91.7126176.9-60.6177.9000110.9Q36 D40 Y48 V51 V69Q36-I46 HydrophobicContact CG-CG2 4.28Å; D40-I46 HydrophobicContact CB-CD1 3.76Å; D40-I46 HydrophobicContact CB-CG1 3.29Å; D40-I46 WeakPolarHBondContact OD1-CG1 3.42Å; I46-Y48 HydrophobicContact CB-CD2 4.1Å; I46-Y48 HydrophobicContact CB-CE1 4.5Å; I46-Y48 HydrophobicContact CB-CE2 3.79Å; I46-Y48 HydrophobicContact CG2-CD1 4.01Å; I46-Y48 HydrophobicContact CG2-CD2 4Å; I46-Y48 HydrophobicContact CG2-CE1 4.06Å; I46-Y48 HydrophobicContact CG2-CE2 4.05Å; I46-Y48 HydrophobicContact CG2-CG 3.98Å; I46-Y48 WeakPolarHBondContact O-CD2 3.47Å; I46-Y48 PolarHBondContact O-N 3.01Å; I46-V51 HydrophobicContact CG2-CG2 3.9Å; I46-V69 HydrophobicContact CD1-CG1 3.31Å; I46-V69 HydrophobicContact CD1-CG2 4.43Å
47D76.1Confident74.1Confident51 Ų5161.6 Ų61.627%0.27333%0.333SS..  trans-81.888.2163.5-170.8-29.5000109.1Q36 D49 K50 V51Q36-D47 VanDerWaalsContact NE2-N 3.13Å; D47-D49 PolarHBondContact O-N 3.38Å; D47-D49 WeakPolarHBondContact OD1-CB 3.4Å; D47-D49 PolarHBondContact OD1-N 3.35Å; D47-K50 HydrophobicContact CB-CB 4.14Å; D47-K50 HydrophobicContact CB-CD 4.23Å; D47-K50 HydrophobicContact CB-CG 4.29Å; D47-K50 PolarHBondContact O-N 2.89Å; D47-K50 PolarHBondContact OD1-N 3.2Å; D47-K50 VanDerWaalsContact OD2-CD 3.27Å; D47-K50 WeakPolarHBondContact OD2-CD 3.43Å; D47-K50 VanDerWaalsContact OD2-CE 3.29Å; D47-K50 WeakPolarHBondContact OD2-CE 3.35Å; D47-K50 WeakPolarHBondContact OD2-CG 2.86Å; D47-K50 IonicContact OD2-NZ 2.84Å; D47-K50 PolarHBondContact OD2-NZ 3.42Å; D47-V51 WeakPolarHBondContact O-CG2 3.27Å; D47-V51 PolarHBondContact O-N 2.98Å
48Y71.8Confident73.3Confident125 Ų12562.8 Ų62.849%0.4934%0.343SS..Hα-helixtrans-62.6-26.7-178.9-73.2-82.8000112.5I46 V51 G52I46-Y48 HydrophobicContact CB-CD2 4.1Å; I46-Y48 HydrophobicContact CB-CE1 4.5Å; I46-Y48 HydrophobicContact CB-CE2 3.79Å; I46-Y48 HydrophobicContact CG2-CD1 4.01Å; I46-Y48 HydrophobicContact CG2-CD2 4Å; I46-Y48 HydrophobicContact CG2-CE1 4.06Å; I46-Y48 HydrophobicContact CG2-CE2 4.05Å; I46-Y48 HydrophobicContact CG2-CG 3.98Å; I46-Y48 WeakPolarHBondContact O-CD2 3.47Å; I46-Y48 PolarHBondContact O-N 3.01Å; Y48-V51 PolarHBondContact O-N 3.42Å; Y48-G52 PolarHBondContact O-N 2.98Å
49D70.7Confident72.8Confident121 Ų12171.6 Ų71.665%0.64738%0.381SS*.Hα-helixtrans-66.6-42.8173.8-87.7-87.4000111.8D47 K53D47-D49 PolarHBondContact O-N 3.38Å; D47-D49 WeakPolarHBondContact OD1-CB 3.4Å; D47-D49 PolarHBondContact OD1-N 3.35Å; D49-K53 WeakPolarHBondContact O-CG 3.4Å; D49-K53 PolarHBondContact O-N 2.82Å
50K73.3Confident72.3Confident118 Ų11868.9 Ų68.951%0.51337%0.37SS..Hα-helixtrans-67.4-42173.8-76.1-175.9-174.1115.80111.9D47 G52 K53 L54D47-K50 HydrophobicContact CB-CB 4.14Å; D47-K50 HydrophobicContact CB-CD 4.23Å; D47-K50 HydrophobicContact CB-CG 4.29Å; D47-K50 PolarHBondContact O-N 2.89Å; D47-K50 PolarHBondContact OD1-N 3.2Å; D47-K50 VanDerWaalsContact OD2-CD 3.27Å; D47-K50 WeakPolarHBondContact OD2-CD 3.43Å; D47-K50 VanDerWaalsContact OD2-CE 3.29Å; D47-K50 WeakPolarHBondContact OD2-CE 3.35Å; D47-K50 WeakPolarHBondContact OD2-CG 2.86Å; D47-K50 IonicContact OD2-NZ 2.84Å; D47-K50 PolarHBondContact OD2-NZ 3.42Å; K50-G52 VanDerWaalsContact C-N 3.33Å; K50-K53 PolarHBondContact O-N 2.78Å; K50-L54 VanDerWaalsContact O-CG 3.31Å; K50-L54 WeakPolarHBondContact O-CG 3.49Å; K50-L54 PolarHBondContact O-N 3.32Å
51V76.1Confident72.1Confident4 Ų473.2 Ų73.22%0.02439%0.388CS..Hα-helixtrans-62.5-42.8176.8174.10000110.7L33 Q36 I46 D47 Y48 K53 L54 T55 I65 V69L33-V51 HydrophobicContact CD2-CB 4.29Å; L33-V51 HydrophobicContact CD2-CG1 3.67Å; L33-V51 HydrophobicContact CD2-CG2 4.19Å; Q36-V51 HydrophobicContact CB-CG2 4.43Å; Q36-V51 HydrophobicContact CG-CG2 3.86Å; I46-V51 HydrophobicContact CG2-CG2 3.9Å; D47-V51 WeakPolarHBondContact O-CG2 3.27Å; D47-V51 PolarHBondContact O-N 2.98Å; Y48-V51 PolarHBondContact O-N 3.42Å; V51-K53 PolarHBondContact O-N 3.42Å; V51-L54 PolarHBondContact O-N 3.37Å; V51-T55 WeakPolarHBondContact O-CB 3.45Å; V51-T55 WeakPolarHBondContact O-CG2 3.29Å; V51-T55 PolarHBondContact O-N 3.01Å; V51-T55 PolarHBondContact O-OG1 3.49Å; V51-I65 HydrophobicContact CB-CG2 4.46Å; V51-I65 HydrophobicContact CG1-CG2 3.46Å; V51-I65 VanDerWaalsContact CG1-CG2 3.46Å; V51-V69 HydrophobicContact CG1-CG2 4.33Å
52G69.6Low72Confident22 Ų2276.4 Ų76.423%0.22741%0.412CS..Hα-helixtrans-60.8-42.9175.200000112.8Y48 K50 L54 T55 A56Y48-G52 PolarHBondContact O-N 2.98Å; K50-G52 VanDerWaalsContact C-N 3.33Å; G52-L54 PolarHBondContact O-N 2.96Å; G52-T55 WeakPolarHBondContact CA-OG1 3.43Å; G52-T55 PolarHBondContact O-N 3.49Å; G52-T55 PolarHBondContact O-OG1 3.19Å; G52-A56 WeakPolarHBondContact O-CB 3.47Å; G52-A56 PolarHBondContact O-N 3.3Å
53K77.7Confident72.1Confident156 Ų15676.1 Ų76.168%0.67842%0.421SS*.Hα-helixtrans-64.2-38.7175-72.8172.7-173.8175.30112.8D49 K50 V51 T55D49-K53 WeakPolarHBondContact O-CG 3.4Å; D49-K53 PolarHBondContact O-N 2.82Å; K50-K53 PolarHBondContact O-N 2.78Å; V51-K53 PolarHBondContact O-N 3.42Å; K53-T55 VanDerWaalsContact C-N 3.33Å
54L72.9Confident72.4Confident43 Ų4375.9 Ų75.923%0.22541%0.406CS..Hα-helixtrans-69.8-31.7178.1-70.5169.9000112.2K29 L32 L33 K50 V51 G52K29-L54 VanDerWaalsContact CD-O 3.28Å; K29-L54 WeakPolarHBondContact CD-O 3.36Å; K29-L54 WeakPolarHBondContact CE-O 3.29Å; K29-L54 PolarHBondContact NZ-O 3.34Å; L32-L54 HydrophobicContact CB-CD1 3.88Å; L32-L54 HydrophobicContact CD1-CD1 4.47Å; L32-L54 HydrophobicContact CD1-CD2 3.73Å; L33-L54 HydrophobicContact CD2-CD1 4.49Å; K50-L54 VanDerWaalsContact O-CG 3.31Å; K50-L54 WeakPolarHBondContact O-CG 3.49Å; K50-L54 PolarHBondContact O-N 3.32Å; V51-L54 PolarHBondContact O-N 3.37Å; G52-L54 PolarHBondContact O-N 2.96Å
55T69.4Low72.9Confident1 Ų170.4 Ų70.41%0.00638%0.382CS..Hα-helixtrans-93.9-6.8-178.851.70000113.8L33 V51 G52 K53 D57 A58 F60 I65L33-T55 HydrophobicContact CD1-CG2 4.06Å; L33-T55 HydrophobicContact CD2-CG2 4.28Å; V51-T55 WeakPolarHBondContact O-CB 3.45Å; V51-T55 WeakPolarHBondContact O-CG2 3.29Å; V51-T55 PolarHBondContact O-N 3.01Å; V51-T55 PolarHBondContact O-OG1 3.49Å; G52-T55 WeakPolarHBondContact CA-OG1 3.43Å; G52-T55 PolarHBondContact O-N 3.49Å; G52-T55 PolarHBondContact O-OG1 3.19Å; K53-T55 VanDerWaalsContact C-N 3.33Å; T55-D57 VanDerWaalsContact C-N 3.31Å; T55-D57 PolarHBondContact O-N 3.11Å; T55-A58 WeakPolarHBondContact O-CB 3.38Å; T55-A58 PolarHBondContact O-N 3.48Å; T55-F60 HydrophobicContact CG2-CD2 3.8Å; T55-F60 HydrophobicContact CG2-CE2 4.28Å; T55-I65 HydrophobicContact CG2-CG1 4.47Å; T55-I65 WeakPolarHBondContact OG1-CD1 3.14Å; T55-I65 WeakPolarHBondContact OG1-CG1 3.31Å
56A69Low73.6Confident59 Ų5975.1 Ų75.149%0.48839%0.393SS..G310 helixtrans-54.8-41.817800000113.3G52 A58 K59G52-A56 WeakPolarHBondContact O-CB 3.47Å; G52-A56 PolarHBondContact O-N 3.3Å; A56-A58 PolarHBondContact O-N 3.3Å; A56-K59 PolarHBondContact O-N 3.2Å
57D66.6Low74Confident133 Ų13375 Ų7571%0.71140%0.396SS*.G310 helixtrans-69.9-17179.4-53.8-39000113.1K29 T55K29-D57 WeakPolarHBondContact CE-OD2 3.16Å; K29-D57 VanDerWaalsContact NZ-CB 3.26Å; K29-D57 VanDerWaalsContact NZ-CG 3.27Å; K29-D57 IonicContact NZ-OD2 3.38Å; K29-D57 PolarHBondContact NZ-OD2 2.66Å; T55-D57 VanDerWaalsContact C-N 3.31Å; T55-D57 PolarHBondContact O-N 3.11Å
58A66.1Low74.3Confident27 Ų2772.7 Ų72.722%0.22338%0.383CS..G310 helixtrans-90.90.5177.900000113I25 T55 A56 F60I25-A58 HydrophobicContact CG1-CB 4.46Å; T55-A58 WeakPolarHBondContact O-CB 3.38Å; T55-A58 PolarHBondContact O-N 3.48Å; A56-A58 PolarHBondContact O-N 3.3Å; A58-F60 VanDerWaalsContact C-N 3.29Å; A58-F60 HydrophobicContact CB-CD1 3.61Å; A58-F60 HydrophobicContact CB-CE1 3.53Å; A58-F60 HydrophobicContact CB-CG 4.23Å; A58-F60 HydrophobicContact CB-CZ 4.1Å; A58-F60 WeakPolarHBondContact O-CD1 3.32Å; A58-F60 PolarHBondContact O-N 3.14Å
59K69.7Low74.9Confident186 Ų18667.3 Ų67.381%0.80936%0.364SS*.THydrogen-bonded Turntrans57.335.8-174.9-56.8-178.1178.6-179.90113.9A56A56-K59 PolarHBondContact O-N 3.2Å
60F72.7Confident75.5Confident26 Ų2663.6 Ų63.611%0.11435%0.35CS..  trans-75.9134.9179.6-77.513.7000111.2T21 I25 T55 A58 D64 I65 T68T21-F60 HydrophobicContact CG2-CE1 3.74Å; T21-F60 HydrophobicContact CG2-CE2 3.91Å; T21-F60 HydrophobicContact CG2-CZ 3.4Å; T21-F60 WeakPolarHBondContact O-CZ 3.49Å; I25-F60 HydrophobicContact CD1-CE2 3.45Å; I25-F60 VanDerWaalsContact CD1-CE2 3.45Å; I25-F60 HydrophobicContact CD1-CZ 3.63Å; I25-F60 HydrophobicContact CG1-CE1 4.45Å; I25-F60 HydrophobicContact CG1-CE2 3.87Å; I25-F60 HydrophobicContact CG1-CZ 3.52Å; T55-F60 HydrophobicContact CG2-CD2 3.8Å; T55-F60 HydrophobicContact CG2-CE2 4.28Å; A58-F60 VanDerWaalsContact C-N 3.29Å; A58-F60 HydrophobicContact CB-CD1 3.61Å; A58-F60 HydrophobicContact CB-CE1 3.53Å; A58-F60 HydrophobicContact CB-CG 4.23Å; A58-F60 HydrophobicContact CB-CZ 4.1Å; A58-F60 WeakPolarHBondContact O-CD1 3.32Å; A58-F60 PolarHBondContact O-N 3.14Å; F60-D64 HydrophobicContact CB-CB 3.85Å; F60-D64 HydrophobicContact CD1-CB 4.38Å; F60-D64 HydrophobicContact CD2-CB 4Å; F60-D64 HydrophobicContact CG-CB 3.85Å; F60-I65 HydrophobicContact CB-CG1 4.02Å; F60-T68 WeakPolarHBondContact CE2-OG1 3.4Å
61E76.4Confident76.2Confident146 Ų14658 Ų5868%0.68233%0.326SS*.  trans-79.7168.7168.4-63.5-169.5171.300110.8G63 D64 I65E61-G63 PolarHBondContact O-N 2.83Å; E61-G63 VanDerWaalsContact O-N 3.09Å; E61-D64 PolarHBondContact N-OD2 3.2Å; E61-D64 PolarHBondContact O-N 2.72Å; E61-D64 VanDerWaalsContact O-N 3.09Å; E61-I65 WeakPolarHBondContact O-CG1 3.48Å; E61-I65 PolarHBondContact O-N 3.36Å
62S73.7Confident76.6Confident91 Ų9157.8 Ų57.864%0.63633%0.325SS*.Hα-helixtrans-58.1-24.1175.968.40000113.5K66S62-K66 WeakPolarHBondContact O-CG 3.43Å; S62-K66 PolarHBondContact O-N 3.26Å
63G78.4Confident77.4Confident43 Ų4358.1 Ų58.144%0.44332%0.323SS..Hα-helixtrans-69.4-52.3171.400000112.4E61 I65 K66 A67E61-G63 PolarHBondContact O-N 2.83Å; E61-G63 VanDerWaalsContact O-N 3.09Å; G63-I65 VanDerWaalsContact C-N 3.27Å; G63-I65 PolarHBondContact O-N 2.9Å; G63-K66 PolarHBondContact O-N 3.42Å; G63-K66 VanDerWaalsContact O-N 3.11Å; G63-A67 PolarHBondContact O-N 3.36Å
64D79.4Confident77.7Confident51 Ų5153.8 Ų53.827%0.27330%0.304SS..Hα-helixtrans-61.1-36.6-179.3-55.4-38.2000112.1F60 E61 A67 T68F60-D64 HydrophobicContact CB-CB 3.85Å; F60-D64 HydrophobicContact CD1-CB 4.38Å; F60-D64 HydrophobicContact CD2-CB 4Å; F60-D64 HydrophobicContact CG-CB 3.85Å; E61-D64 PolarHBondContact N-OD2 3.2Å; E61-D64 PolarHBondContact O-N 2.72Å; E61-D64 VanDerWaalsContact O-N 3.09Å; D64-A67 PolarHBondContact O-N 2.98Å; D64-T68 VanDerWaalsContact O-CB 3.24Å; D64-T68 WeakPolarHBondContact O-CB 3.24Å; D64-T68 PolarHBondContact O-N 2.91Å; D64-T68 PolarHBondContact O-OG1 3.09Å
65I79.7Confident78.3Confident21 Ų2151.8 Ų51.811%0.10829%0.294CS..Hα-helixtrans-61.5-47.5175.7-69.1168.2000110.7V51 T55 F60 E61 G63 T68 V69V51-I65 HydrophobicContact CB-CG2 4.46Å; V51-I65 HydrophobicContact CG1-CG2 3.46Å; V51-I65 VanDerWaalsContact CG1-CG2 3.46Å; T55-I65 HydrophobicContact CG2-CG1 4.47Å; T55-I65 WeakPolarHBondContact OG1-CD1 3.14Å; T55-I65 WeakPolarHBondContact OG1-CG1 3.31Å; F60-I65 HydrophobicContact CB-CG1 4.02Å; E61-I65 WeakPolarHBondContact O-CG1 3.48Å; E61-I65 PolarHBondContact O-N 3.36Å; G63-I65 VanDerWaalsContact C-N 3.27Å; G63-I65 PolarHBondContact O-N 2.9Å; I65-T68 PolarHBondContact O-N 3.04Å; I65-V69 WeakPolarHBondContact O-CB 3.45Å; I65-V69 VanDerWaalsContact O-CG2 3.31Å; I65-V69 WeakPolarHBondContact O-CG2 3.4Å; I65-V69 PolarHBondContact O-N 3.42Å
66K82.3Confident79Confident129 Ų12951.7 Ų51.756%0.56129%0.294SS*.Hα-helixtrans-66.6-40.4178.9-71.9175.8-178.4179.80111.4S62 G63 V69 A70S62-K66 WeakPolarHBondContact O-CG 3.43Å; S62-K66 PolarHBondContact O-N 3.26Å; G63-K66 PolarHBondContact O-N 3.42Å; G63-K66 VanDerWaalsContact O-N 3.11Å; K66-V69 PolarHBondContact O-N 3.01Å; K66-A70 VanDerWaalsContact O-CB 3.29Å; K66-A70 WeakPolarHBondContact O-CB 3.2Å; K66-A70 PolarHBondContact O-N 2.7Å
67A83.3Confident79.6Confident22 Ų2249.7 Ų49.718%0.18228%0.276CS..Hα-helixtrans-62.2-48.1176.500000111.2E18 G63 D64 V69 A70 V71E18-A67 HydrophobicContact CG-CB 4.01Å; G63-A67 PolarHBondContact O-N 3.36Å; D64-A67 PolarHBondContact O-N 2.98Å; A67-V69 PolarHBondContact O-N 3.23Å; A67-A70 PolarHBondContact O-N 3.09Å; A67-A70 VanDerWaalsContact O-N 3.15Å; A67-V71 VanDerWaalsContact O-CG2 3.3Å; A67-V71 WeakPolarHBondContact O-CG2 3.33Å; A67-V71 PolarHBondContact O-N 2.95Å
68T81.8Confident80.3Confident2 Ų243.8 Ų43.81%0.01225%0.245CC..Hα-helixtrans-56.1-48.6175.5-63.50000111.6L22 I25 L33 F60 D64 I65 V71 L72L22-T68 HydrophobicContact CD2-CG2 3.42Å; L22-T68 VanDerWaalsContact CD2-CG2 3.42Å; I25-T68 HydrophobicContact CD1-CG2 4.23Å; L33-T68 HydrophobicContact CD1-CG2 4.27Å; F60-T68 WeakPolarHBondContact CE2-OG1 3.4Å; D64-T68 VanDerWaalsContact O-CB 3.24Å; D64-T68 WeakPolarHBondContact O-CB 3.24Å; D64-T68 PolarHBondContact O-N 2.91Å; D64-T68 PolarHBondContact O-OG1 3.09Å; I65-T68 PolarHBondContact O-N 3.04Å; T68-V71 PolarHBondContact O-N 3.31Å; T68-L72 HydrophobicContact CG2-CD1 4.13Å; T68-L72 WeakPolarHBondContact O-CB 3.43Å; T68-L72 WeakPolarHBondContact O-CG 3.4Å; T68-L72 PolarHBondContact O-N 3.07Å
69V83.6Confident81.1Confident12 Ų1242.5 Ų42.57%0.07323%0.234CC..Hα-helixtrans-61.1-44.9176.8164.10000111.1V37 I46 V51 I65 K66 A67 L72 S73V37-V69 HydrophobicContact CG2-CB 4.5Å; V37-V69 HydrophobicContact CG2-CG1 4.32Å; V37-V69 HydrophobicContact CG2-CG2 4.31Å; I46-V69 HydrophobicContact CD1-CG1 3.31Å; I46-V69 HydrophobicContact CD1-CG2 4.43Å; V51-V69 HydrophobicContact CG1-CG2 4.33Å; I65-V69 WeakPolarHBondContact O-CB 3.45Å; I65-V69 VanDerWaalsContact O-CG2 3.31Å; I65-V69 WeakPolarHBondContact O-CG2 3.4Å; I65-V69 PolarHBondContact O-N 3.42Å; K66-V69 PolarHBondContact O-N 3.01Å; A67-V69 PolarHBondContact O-N 3.23Å; V69-L72 PolarHBondContact O-N 2.88Å; V69-S73 WeakPolarHBondContact O-CB 3.39Å; V69-S73 PolarHBondContact O-N 2.76Å
70A84.6Confident81.7Confident44 Ų4433.7 Ų33.736%0.36420%0.197SC..Hα-helixtrans-63.6-42.418000000112W14 K66 A67 S73 F74W14-A70 HydrophobicContact CZ3-CB 4.28Å; K66-A70 VanDerWaalsContact O-CB 3.29Å; K66-A70 WeakPolarHBondContact O-CB 3.2Å; K66-A70 PolarHBondContact O-N 2.7Å; A67-A70 PolarHBondContact O-N 3.09Å; A67-A70 VanDerWaalsContact O-N 3.15Å; A70-S73 PolarHBondContact O-N 3.11Å; A70-F74 VanDerWaalsContact O-CB 3.26Å; A70-F74 WeakPolarHBondContact O-CB 3.29Å; A70-F74 PolarHBondContact O-N 3.47Å
71V86.9Confident82Confident0 Ų038.7 Ų38.70%022%0.218CC..Hα-helixtrans-64.5-49176.6173.20000111.2W14 V15 E18 L22 A67 T68 S73 F74 I75W14-V71 HydrophobicContact CE3-CG2 4.01Å; W14-V71 HydrophobicContact CH2-CG2 4.42Å; W14-V71 HydrophobicContact CZ3-CB 4.35Å; W14-V71 HydrophobicContact CZ3-CG2 3.5Å; W14-V71 VanDerWaalsContact CZ3-CG2 3.5Å; V15-V71 HydrophobicContact CG1-CG1 3.9Å; V15-V71 HydrophobicContact CG2-CG2 4.49Å; E18-V71 HydrophobicContact CB-CG2 3.55Å; E18-V71 HydrophobicContact CG-CG2 4.1Å; L22-V71 HydrophobicContact CD1-CB 4.25Å; L22-V71 HydrophobicContact CD1-CG1 3.56Å; A67-V71 VanDerWaalsContact O-CG2 3.3Å; A67-V71 WeakPolarHBondContact O-CG2 3.33Å; A67-V71 PolarHBondContact O-N 2.95Å; T68-V71 PolarHBondContact O-N 3.31Å; V71-S73 VanDerWaalsContact C-N 3.31Å; V71-S73 PolarHBondContact O-N 2.92Å; V71-F74 PolarHBondContact O-N 3.42Å; V71-I75 HydrophobicContact CG1-CD1 3.61Å; V71-I75 HydrophobicContact CG1-CG1 4.29Å; V71-I75 VanDerWaalsContact O-CG1 3.29Å; V71-I75 WeakPolarHBondContact O-CG1 3.26Å; V71-I75 PolarHBondContact O-N 3.43Å
72L85.4Confident82.1Confident0 Ų036 Ų360%021%0.206CC..Hα-helixtrans-61.1-42.6178.1-73.1176.1000111.4L22 M30 L33 V37 T68 V69 F74 I75 L76 L106L22-L72 HydrophobicContact CD2-CD1 4.35Å; L22-L72 HydrophobicContact CD2-CD2 4.3Å; L22-L72 HydrophobicContact CD2-CG 4.14Å; M30-L72 HydrophobicContact CE-CD2 3.69Å; M30-L72 HydrophobicContact SD-CD1 4.47Å; M30-L72 HydrophobicContact SD-CD2 4.13Å; L33-L72 HydrophobicContact CB-CD1 3.97Å; V37-L72 HydrophobicContact CB-CB 4.39Å; V37-L72 HydrophobicContact CG1-CB 4.11Å; V37-L72 HydrophobicContact CG2-CB 4.01Å; V37-L72 HydrophobicContact CG2-CD1 4.17Å; T68-L72 HydrophobicContact CG2-CD1 4.13Å; T68-L72 WeakPolarHBondContact O-CB 3.43Å; T68-L72 WeakPolarHBondContact O-CG 3.4Å; T68-L72 PolarHBondContact O-N 3.07Å; V69-L72 PolarHBondContact O-N 2.88Å; L72-F74 VanDerWaalsContact C-N 3.33Å; L72-F74 PolarHBondContact O-N 3.15Å; L72-I75 PolarHBondContact O-N 3.05Å; L72-L76 WeakPolarHBondContact O-CB 3.42Å; L72-L76 WeakPolarHBondContact O-CD1 3.41Å; L72-L76 VanDerWaalsContact O-CG 3.25Å; L72-L76 WeakPolarHBondContact O-CG 3.48Å; L72-L76 PolarHBondContact O-N 3.01Å; L72-L106 HydrophobicContact CD2-CD1 3.78Å
73S85.4Confident82.2Confident29 Ų2936.3 Ų36.320%0.20320%0.2CC..Hα-helixtrans-60.7-44.7176.1173.30000111.1L41 V69 A70 V71 S77L41-S73 WeakPolarHBondContact CD2-OG 3.2Å; V69-S73 WeakPolarHBondContact O-CB 3.39Å; V69-S73 PolarHBondContact O-N 2.76Å; A70-S73 PolarHBondContact O-N 3.11Å; V71-S73 VanDerWaalsContact C-N 3.31Å; V71-S73 PolarHBondContact O-N 2.92Å; S73-S77 WeakPolarHBondContact O-CB 3.39Å; S73-S77 PolarHBondContact O-N 3.5Å; S73-S77 PolarHBondContact O-OG 2.83Å
74F84.9Confident82.2Confident64 Ų6434.7 Ų34.728%0.28118%0.182SC..Hα-helixtrans-64.4-47178.2-179.4-95.8000112F5 P12 W14 V15 A70 V71 L72 S78F5-F74 HydrophobicContact CE2-CE1 4.33Å; P12-F74 HydrophobicContact CG-CE1 4Å; P12-F74 HydrophobicContact CG-CZ 4.02Å; W14-F74 HydrophobicContact CH2-CB 3.8Å; W14-F74 HydrophobicContact CH2-CD2 4.48Å; W14-F74 HydrophobicContact CH2-CG 4.03Å; W14-F74 HydrophobicContact CZ2-CB 4.2Å; W14-F74 HydrophobicContact CZ2-CD1 4.36Å; W14-F74 HydrophobicContact CZ2-CD2 4.05Å; W14-F74 AromaticContact CZ2-CG 3.93Å; W14-F74 HydrophobicContact CZ2-CG 3.93Å; V15-F74 HydrophobicContact CG2-CD1 3.82Å; V15-F74 HydrophobicContact CG2-CE1 4.2Å; V15-F74 HydrophobicContact CG2-CG 4.47Å; A70-F74 VanDerWaalsContact O-CB 3.26Å; A70-F74 WeakPolarHBondContact O-CB 3.29Å; A70-F74 PolarHBondContact O-N 3.47Å; V71-F74 PolarHBondContact O-N 3.42Å; L72-F74 VanDerWaalsContact C-N 3.33Å; L72-F74 PolarHBondContact O-N 3.15Å; F74-S78 WeakPolarHBondContact O-CB 3.4Å; F74-S78 PolarHBondContact O-N 3.28Å; F74-S78 PolarHBondContact O-OG 3.39Å
75I85.6Confident82.3Confident1 Ų135.8 Ų35.81%0.00519%0.187CC..Hα-helixtrans-59.6-52.4178.3-69.9167.3000110.1F5 V71 L72 S78 A79 L89 L93 L106F5-I75 HydrophobicContact CE2-CG1 4.37Å; V71-I75 HydrophobicContact CG1-CD1 3.61Å; V71-I75 HydrophobicContact CG1-CG1 4.29Å; V71-I75 VanDerWaalsContact O-CG1 3.29Å; V71-I75 WeakPolarHBondContact O-CG1 3.26Å; V71-I75 PolarHBondContact O-N 3.43Å; L72-I75 PolarHBondContact O-N 3.05Å; I75-S78 PolarHBondContact O-N 3.48Å; I75-A79 VanDerWaalsContact O-CB 3.27Å; I75-A79 WeakPolarHBondContact O-CB 3.49Å; I75-A79 PolarHBondContact O-N 3.22Å; I75-L89 HydrophobicContact CG2-CD1 4.28Å; I75-L93 HydrophobicContact CD1-CD2 3.94Å; I75-L93 HydrophobicContact CG2-CD2 3.93Å; I75-L106 HydrophobicContact CG2-CD2 4.49Å
76L84Confident82.3Confident0 Ų036.5 Ų36.50%019%0.194CC..Hα-helixtrans-64.7-43-177.5-68.5167.7000111.9V37 L38 L41 L72 A80 L106 Y110 L117V37-L76 HydrophobicContact CB-CD1 4.5Å; V37-L76 HydrophobicContact CG1-CD1 4.05Å; L38-L76 HydrophobicContact CD2-CD1 3.87Å; L38-L76 HydrophobicContact CD2-CD2 4.32Å; L38-L76 HydrophobicContact CG-CD1 3.82Å; L41-L76 HydrophobicContact CD1-CB 3.86Å; L41-L76 HydrophobicContact CD1-CD1 4.35Å; L72-L76 WeakPolarHBondContact O-CB 3.42Å; L72-L76 WeakPolarHBondContact O-CD1 3.41Å; L72-L76 VanDerWaalsContact O-CG 3.25Å; L72-L76 WeakPolarHBondContact O-CG 3.48Å; L72-L76 PolarHBondContact O-N 3.01Å; L76-A80 WeakPolarHBondContact O-CB 3.34Å; L76-A80 PolarHBondContact O-N 3.41Å; L76-L106 HydrophobicContact CD2-CD2 3.91Å; L76-L106 HydrophobicContact CD2-CG 4.38Å; L76-Y110 HydrophobicContact CD2-CD2 3.76Å; L76-Y110 HydrophobicContact CD2-CG 4.26Å; L76-L117 HydrophobicContact CB-CD2 4.49Å
77S81.6Confident82.3Confident16 Ų1637.6 Ų37.611%0.11220%0.201CC..Hα-helixtrans-66.2-39.8177.6-61.40000112.1L41 S73 A80 K81L41-S77 WeakPolarHBondContact CD2-OG 3.24Å; S73-S77 WeakPolarHBondContact O-CB 3.39Å; S73-S77 PolarHBondContact O-N 3.5Å; S73-S77 PolarHBondContact O-OG 2.83Å; S77-A80 PolarHBondContact O-N 2.86Å; S77-K81 WeakPolarHBondContact O-CB 3.43Å; S77-K81 WeakPolarHBondContact O-CG 3.26Å; S77-K81 PolarHBondContact O-N 3.32Å
78S81.3Confident82.3Confident9 Ų937.1 Ų37.16%0.06320%0.197CC..Hα-helixtrans-75-37.3-178-53.40000111.2F5 F74 I75 A80 K81 H82F5-S78 CarbonylContact O-C 3.52Å; F5-S78 VanDerWaalsContact O-C 3.26Å; F5-S78 WeakPolarHBondContact O-CB 3.3Å; F74-S78 WeakPolarHBondContact O-CB 3.4Å; F74-S78 PolarHBondContact O-N 3.28Å; F74-S78 PolarHBondContact O-OG 3.39Å; I75-S78 PolarHBondContact O-N 3.48Å; S78-A80 PolarHBondContact O-N 3.36Å; S78-K81 PolarHBondContact O-N 3.05Å; S78-H82 PolarHBondContact O-N 3.18Å; S78-H82 VanDerWaalsContact O-N 3.12Å; S78-H82 PolarHBondContact O-ND1 2.85Å
79A83.3Confident82.4Confident0 Ų037 Ų370%020%0.196CC..Hα-helixtrans-58.3-46.9170.100000111.4F5 I75 K81 H82 D83 V84 L89 Y110F5-A79 HydrophobicContact CB-CB 4.38Å; I75-A79 VanDerWaalsContact O-CB 3.27Å; I75-A79 WeakPolarHBondContact O-CB 3.49Å; I75-A79 PolarHBondContact O-N 3.22Å; A79-K81 PolarHBondContact O-N 3.16Å; A79-H82 PolarHBondContact O-N 2.96Å; A79-D83 PolarHBondContact O-N 2.81Å; A79-D83 VanDerWaalsContact O-N 3.08Å; A79-V84 PolarHBondContact O-N 3.31Å; A79-V84 VanDerWaalsContact O-N 3.11Å; A79-L89 HydrophobicContact CB-CD1 3.99Å; A79-L89 HydrophobicContact CB-CD2 3.99Å; A79-Y110 HydrophobicContact CB-CE2 3.75Å; A79-Y110 PolarHBondContact O-OH 3.08Å; A79-Y110 VanDerWaalsContact O-OH 3.08Å
80A82.5Confident82.4Confident2 Ų237.3 Ų37.32%0.01720%0.198CC..Hα-helixtrans-69.2-33.2179.600000113.6L76 S77 S78 D83 Y110 L117 L121L76-A80 WeakPolarHBondContact O-CB 3.34Å; L76-A80 PolarHBondContact O-N 3.41Å; S77-A80 PolarHBondContact O-N 2.86Å; S78-A80 PolarHBondContact O-N 3.36Å; A80-D83 PolarHBondContact O-N 3.49Å; A80-Y110 VanDerWaalsContact CA-OH 3.24Å; A80-Y110 WeakPolarHBondContact CA-OH 3.29Å; A80-Y110 HydrophobicContact CB-CE2 4.03Å; A80-Y110 PolarHBondContact N-OH 2.87Å; A80-Y110 VanDerWaalsContact N-OH 3.12Å; A80-L117 HydrophobicContact CB-CD2 3.47Å; A80-L117 VanDerWaalsContact CB-CD2 3.47Å; A80-L117 HydrophobicContact CB-CG 3.89Å; A80-L121 HydrophobicContact CB-CD1 3.58Å
81K78.4Confident82.4Confident130 Ų13038 Ų3857%0.56520%0.2SC*.Hα-helixtrans-64.9-39.7175.1-79.5172.5-176.3-178.50112.7S77 S78 A79 L121S77-K81 WeakPolarHBondContact O-CB 3.43Å; S77-K81 WeakPolarHBondContact O-CG 3.26Å; S77-K81 PolarHBondContact O-N 3.32Å; S78-K81 PolarHBondContact O-N 3.05Å; A79-K81 PolarHBondContact O-N 3.16Å; K81-L121 HydrophobicContact CG-CD1 4.18Å
82H78.3Confident82.3Confident91 Ų9138.5 Ų38.542%0.42120%0.203SC..THydrogen-bonded Turntrans-94.87.6-177.9-59.9102.5000113.2F5 G7 S78 A79 V84F5-H82 PolarHBondContact O-ND1 3.13Å; G7-H82 VanDerWaalsContact CA-CD2 3.44Å; G7-H82 WeakPolarHBondContact CA-CD2 3.33Å; G7-H82 WeakPolarHBondContact CA-NE2 3.49Å; G7-H82 PolarHBondContact N-CE1 3.44Å; S78-H82 PolarHBondContact O-N 3.18Å; S78-H82 VanDerWaalsContact O-N 3.12Å; S78-H82 PolarHBondContact O-ND1 2.85Å; A79-H82 PolarHBondContact O-N 2.96Å; H82-V84 VanDerWaalsContact C-N 3.26Å; H82-V84 HydrophobicContact CB-CG2 3.81Å; H82-V84 PolarHBondContact O-N 3.08Å
83D76.7Confident82.2Confident97 Ų9738.5 Ų38.552%0.51920%0.203SC..THydrogen-bonded Turntrans47.946.5-179.5-158.740.4000113A79 A80 H114 Q118A79-D83 PolarHBondContact O-N 2.81Å; A79-D83 VanDerWaalsContact O-N 3.08Å; A80-D83 PolarHBondContact O-N 3.49Å; D83-H114 IonicContact OD1-CE1 2.78Å; D83-H114 PolarHBondContact OD1-CE1 3.35Å; D83-H114 IonicContact OD1-NE2 3.75Å; D83-H114 PolarHBondContact OD1-NE2 3Å; D83-Q118 PolarHBondContact OD1-NE2 3.35Å
84V77.1Confident82.1Confident9 Ų940.6 Ų40.66%0.05521%0.209CC..  trans-78.7134.3-175.9-175.30000110.6R4 F5 A79 H82 L89R4-V84 HydrophobicContact CB-CG2 4.32Å; F5-V84 HydrophobicContact CB-CG2 4.31Å; A79-V84 PolarHBondContact O-N 3.31Å; A79-V84 VanDerWaalsContact O-N 3.11Å; H82-V84 VanDerWaalsContact C-N 3.26Å; H82-V84 HydrophobicContact CB-CG2 3.81Å; H82-V84 PolarHBondContact O-N 3.08Å; V84-L89 HydrophobicContact CG1-CB 4.3Å
85D82.4Confident82Confident73 Ų7343.4 Ų43.439%0.3922%0.224SC..  trans-67.8150.517659.4-82.3000112.6R4 E87 S88 L89R4-D85 IonicContact NH1-OD1 3.69Å; D85-E87 PolarHBondContact O-N 3.22Å; D85-S88 VanDerWaalsContact CG-CB 3.45Å; D85-S88 PolarHBondContact O-N 3.28Å; D85-S88 VanDerWaalsContact OD1-CB 3.3Å; D85-S88 WeakPolarHBondContact OD1-CB 3.45Å; D85-S88 PolarHBondContact OD1-OG 2.86Å; D85-S88 WeakPolarHBondContact OD2-CA 3.1Å; D85-S88 WeakPolarHBondContact OD2-CB 3.39Å; D85-S88 PolarHBondContact OD2-N 2.96Å; D85-S88 PolarHBondContact OD2-OG 3.1Å; D85-L89 WeakPolarHBondContact O-CB 3.47Å; D85-L89 PolarHBondContact O-N 2.89Å
86S79.8Confident81.8Confident37 Ų3744.3 Ų44.326%0.25923%0.228SC..Hα-helixtrans-63.4-29.3-173.8590000113.2S90 C107 E111S86-S90 WeakPolarHBondContact O-CB 3.16Å; S86-S90 PolarHBondContact O-N 3.5Å; S86-C107 PolarHBondContact O-SG 2.91Å; S86-E111 PolarHBondContact OG-OE2 3.17Å
87E81.9Confident81.6Confident152 Ų15246.7 Ų46.771%0.7125%0.253SS*.Hα-helixtrans-73.5-43.1177.5-171.2169.5-164.300111.9D85 S90 S91D85-E87 PolarHBondContact O-N 3.22Å; E87-S90 PolarHBondContact O-N 2.9Å; E87-S91 PolarHBondContact O-N 3.49Å; E87-S91 PolarHBondContact O-OG 2.86Å
88S82.8Confident81.7Confident12 Ų1246.2 Ų46.28%0.08425%0.249CC..Hα-helixtrans-67-44175.2-63.20000111.7R4 D85 S90 S91 E92R4-S88 PolarHBondContact NH1-OG 3.38Å; R4-S88 PolarHBondContact NH2-OG 2.87Å; D85-S88 VanDerWaalsContact CG-CB 3.45Å; D85-S88 PolarHBondContact O-N 3.28Å; D85-S88 VanDerWaalsContact OD1-CB 3.3Å; D85-S88 WeakPolarHBondContact OD1-CB 3.45Å; D85-S88 PolarHBondContact OD1-OG 2.86Å; D85-S88 WeakPolarHBondContact OD2-CA 3.1Å; D85-S88 WeakPolarHBondContact OD2-CB 3.39Å; D85-S88 PolarHBondContact OD2-N 2.96Å; D85-S88 PolarHBondContact OD2-OG 3.1Å; S88-S90 VanDerWaalsContact C-N 3.29Å; S88-S90 PolarHBondContact O-N 2.77Å; S88-S91 PolarHBondContact O-N 3.4Å; S88-E92 WeakPolarHBondContact O-CB 3.46Å; S88-E92 WeakPolarHBondContact O-CG 3.33Å; S88-E92 PolarHBondContact O-N 3.42Å
89L83.4Confident81.7Confident0 Ų048.3 Ų48.30%026%0.262CS..Hα-helixtrans-59.3-41.6174.2-177.463.6000111.3F5 I75 A79 V84 D85 S91 E92 L93 L106 Y110F5-L89 HydrophobicContact CB-CD1 4.01Å; F5-L89 HydrophobicContact CD1-CD1 4.47Å; F5-L89 HydrophobicContact CG-CD1 4.32Å; I75-L89 HydrophobicContact CG2-CD1 4.28Å; A79-L89 HydrophobicContact CB-CD1 3.99Å; A79-L89 HydrophobicContact CB-CD2 3.99Å; V84-L89 HydrophobicContact CG1-CB 4.3Å; D85-L89 WeakPolarHBondContact O-CB 3.47Å; D85-L89 PolarHBondContact O-N 2.89Å; L89-S91 VanDerWaalsContact C-N 3.34Å; L89-S91 PolarHBondContact O-N 2.9Å; L89-E92 PolarHBondContact O-N 3.22Å; L89-L93 HydrophobicContact CD1-CD1 4.18Å; L89-L93 HydrophobicContact CD1-CG 4.26Å; L89-L93 HydrophobicContact CG-CD1 3.93Å; L89-L93 HydrophobicContact CG-CG 4.42Å; L89-L93 WeakPolarHBondContact O-CB 3.48Å; L89-L93 WeakPolarHBondContact O-CG 3.38Å; L89-L93 PolarHBondContact O-N 2.86Å; L89-L106 HydrophobicContact CD2-CD2 3.96Å; L89-Y110 HydrophobicContact CD2-CD1 4.14Å; L89-Y110 HydrophobicContact CD2-CE1 4.45Å; L89-Y110 HydrophobicContact CD2-CG 4.26Å
90S84.9Confident81.6Confident17 Ų1755.2 Ų55.212%0.11929%0.292CS..Hα-helixtrans-63.1-41.3177.7-174.30000112.2S86 E87 S88 Q94 C107S86-S90 WeakPolarHBondContact O-CB 3.16Å; S86-S90 PolarHBondContact O-N 3.5Å; E87-S90 PolarHBondContact O-N 2.9Å; S88-S90 VanDerWaalsContact C-N 3.29Å; S88-S90 PolarHBondContact O-N 2.77Å; S90-Q94 WeakPolarHBondContact O-CB 3.24Å; S90-Q94 VanDerWaalsContact O-CG 3.25Å; S90-Q94 WeakPolarHBondContact O-CG 3.43Å; S90-Q94 PolarHBondContact O-N 3.47Å; S90-Q94 VanDerWaalsContact O-N 3.08Å; S90-Q94 PolarHBondContact O-NE2 3.44Å; S90-Q94 PolarHBondContact OG-NE2 3.25Å; S90-Q94 VanDerWaalsContact OG-NE2 3.09Å; S90-C107 PolarHBondContact N-SG 2.85Å
91S84.4Confident81.7Confident58 Ų5861.5 Ų61.541%0.40632%0.321SS..Hα-helixtrans-66.9-40.8178.4-60.20000111.6E87 S88 L89 Q94 Q95E87-S91 PolarHBondContact O-N 3.49Å; E87-S91 PolarHBondContact O-OG 2.86Å; S88-S91 PolarHBondContact O-N 3.4Å; L89-S91 VanDerWaalsContact C-N 3.34Å; L89-S91 PolarHBondContact O-N 2.9Å; S91-Q94 PolarHBondContact O-N 2.96Å; S91-Q95 WeakPolarHBondContact O-CG 3.44Å; S91-Q95 PolarHBondContact O-N 2.72Å
92E83.6Confident81.8Confident12 Ų1255.9 Ų55.96%0.05630%0.297CS..Hα-helixtrans-68.3-42.3178.4-73.8-179.6-171.100112F3 R4 F5 S88 L89 Q94 Q95 L96F3-E92 HydrophobicContact CD1-CB 3.86Å; F3-E92 HydrophobicContact CD1-CG 3.95Å; F3-E92 HydrophobicContact CE1-CB 4.46Å; R4-E92 WeakPolarHBondContact CB-OE1 3.44Å; R4-E92 PolarHBondContact N-OE1 2.86Å; R4-E92 PolarHBondContact N-OE2 3.43Å; R4-E92 IonicContact NE-OE1 3.63Å; F5-E92 HydrophobicContact CD1-CB 4.11Å; F5-E92 WeakPolarHBondContact CD1-OE2 3.47Å; F5-E92 HydrophobicContact CE1-CB 4.45Å; F5-E92 PolarHBondContact N-OE2 2.77Å; S88-E92 WeakPolarHBondContact O-CB 3.46Å; S88-E92 WeakPolarHBondContact O-CG 3.33Å; S88-E92 PolarHBondContact O-N 3.42Å; L89-E92 PolarHBondContact O-N 3.22Å; E92-Q94 VanDerWaalsContact C-N 3.3Å; E92-Q94 PolarHBondContact O-N 2.86Å; E92-Q95 WeakPolarHBondContact O-CB 3.48Å; E92-Q95 PolarHBondContact O-N 3.43Å; E92-L96 VanDerWaalsContact O-CG 3.31Å; E92-L96 WeakPolarHBondContact O-CG 3.33Å; E92-L96 PolarHBondContact O-N 3.47Å
93L83.5Confident82.1Confident0 Ų051.6 Ų51.60%028%0.277CS..Hα-helixtrans-64-35.5174.5-69.1171.6000112.3I75 L89 L96 G97 L98 A103 L106I75-L93 HydrophobicContact CD1-CD2 3.94Å; I75-L93 HydrophobicContact CG2-CD2 3.93Å; L89-L93 HydrophobicContact CD1-CD1 4.18Å; L89-L93 HydrophobicContact CD1-CG 4.26Å; L89-L93 HydrophobicContact CG-CD1 3.93Å; L89-L93 HydrophobicContact CG-CG 4.42Å; L89-L93 WeakPolarHBondContact O-CB 3.48Å; L89-L93 WeakPolarHBondContact O-CG 3.38Å; L89-L93 PolarHBondContact O-N 2.86Å; L93-L96 HydrophobicContact CD2-CD1 4.19Å; L93-L96 WeakPolarHBondContact O-CB 3.5Å; L93-L96 PolarHBondContact O-N 2.69Å; L93-G97 PolarHBondContact O-N 3.28Å; L93-L98 HydrophobicContact CB-CD1 4.07Å; L93-L98 HydrophobicContact CD2-CD1 3.83Å; L93-L98 WeakPolarHBondContact O-CB 3.25Å; L93-L98 WeakPolarHBondContact O-CD1 3.45Å; L93-L98 PolarHBondContact O-N 2.86Å; L93-A103 HydrophobicContact CB-CB 4Å; L93-L106 HydrophobicContact CD1-CD1 4.17Å; L93-L106 HydrophobicContact CD1-CD2 3.78Å; L93-L106 HydrophobicContact CD1-CG 4.38Å
94Q84.2Confident82.4Confident72 Ų7249.5 Ų49.534%0.33627%0.268SS..Hα-helixtrans-67.5-39.6174-75.2170.76000112S90 S91 E92 L96 G97 A103S90-Q94 WeakPolarHBondContact O-CB 3.24Å; S90-Q94 VanDerWaalsContact O-CG 3.25Å; S90-Q94 WeakPolarHBondContact O-CG 3.43Å; S90-Q94 PolarHBondContact O-N 3.47Å; S90-Q94 VanDerWaalsContact O-N 3.08Å; S90-Q94 PolarHBondContact O-NE2 3.44Å; S90-Q94 PolarHBondContact OG-NE2 3.25Å; S90-Q94 VanDerWaalsContact OG-NE2 3.09Å; S91-Q94 PolarHBondContact O-N 2.96Å; E92-Q94 VanDerWaalsContact C-N 3.3Å; E92-Q94 PolarHBondContact O-N 2.86Å; Q94-L96 VanDerWaalsContact C-N 3.27Å; Q94-L96 PolarHBondContact O-N 2.87Å; Q94-G97 PolarHBondContact O-N 2.98Å; Q94-G97 VanDerWaalsContact O-N 3.09Å; Q94-A103 HydrophobicContact CG-CB 4.08Å
95Q82.1Confident82.6Confident124 Ų12449.8 Ų49.858%0.57927%0.273SS*.Hα-helixtrans-64.5-33174.6-73.1175.7600112.6F3 S91 E92 G97F3-Q95 HydrophobicContact CE1-CB 4.27Å; S91-Q95 WeakPolarHBondContact O-CG 3.44Å; S91-Q95 PolarHBondContact O-N 2.72Å; E92-Q95 WeakPolarHBondContact O-CB 3.48Å; E92-Q95 PolarHBondContact O-N 3.43Å; Q95-G97 PolarHBondContact O-N 2.96Å
96L81.4Confident82.5Confident19 Ų1946.3 Ų46.310%0.09925%0.254CS..THydrogen-bonded Turntrans-68.6-14.7174.2-75.1170000113.3F3 F5 C11 L16 I19 E92 L93 Q94 L98F3-L96 HydrophobicContact CD1-CG 4.41Å; F3-L96 HydrophobicContact CE1-CD1 4.32Å; F3-L96 HydrophobicContact CE1-CD2 3.81Å; F3-L96 HydrophobicContact CE1-CG 3.67Å; F3-L96 HydrophobicContact CE2-CD2 3.76Å; F3-L96 HydrophobicContact CZ-CD2 3.32Å; F3-L96 HydrophobicContact CZ-CG 3.74Å; F5-L96 HydrophobicContact CE1-CD1 3.61Å; F5-L96 HydrophobicContact CZ-CD1 3.79Å; C11-L96 HydrophobicContact CB-CD2 4Å; L16-L96 HydrophobicContact CD2-CD2 3.45Å; L16-L96 VanDerWaalsContact CD2-CD2 3.45Å; I19-L96 HydrophobicContact CD1-CB 3.68Å; I19-L96 HydrophobicContact CD1-CD1 4.05Å; I19-L96 HydrophobicContact CD1-CD2 3.78Å; I19-L96 HydrophobicContact CD1-CG 4.04Å; I19-L96 VanDerWaalsContact CG2-O 3.28Å; I19-L96 WeakPolarHBondContact CG2-O 3.32Å; E92-L96 VanDerWaalsContact O-CG 3.31Å; E92-L96 WeakPolarHBondContact O-CG 3.33Å; E92-L96 PolarHBondContact O-N 3.47Å; L93-L96 HydrophobicContact CD2-CD1 4.19Å; L93-L96 WeakPolarHBondContact O-CB 3.5Å; L93-L96 PolarHBondContact O-N 2.69Å; Q94-L96 VanDerWaalsContact C-N 3.27Å; Q94-L96 PolarHBondContact O-N 2.87Å; L96-L98 HydrophobicContact CB-CD1 4.45Å
97G80.4Confident82.7Confident50 Ų5044.9 Ų44.952%0.51524%0.244SC..THydrogen-bonded Turntrans106.38.5178.100000114.6L93 Q94 Q95L93-G97 PolarHBondContact O-N 3.28Å; Q94-G97 PolarHBondContact O-N 2.98Å; Q94-G97 VanDerWaalsContact O-N 3.09Å; Q95-G97 PolarHBondContact O-N 2.96Å
98L82.3Confident82.7Confident7 Ų743.4 Ų43.44%0.03724%0.235CC..  trans-75.4137.5172.4-75.2113.3000111.5I19 L22 M30 L93 L96 H102I19-L98 HydrophobicContact CG1-CD1 4.25Å; I19-L98 HydrophobicContact CG2-CD1 3.87Å; I19-L98 HydrophobicContact CG2-CG 4.06Å; L22-L98 HydrophobicContact CB-CD2 4.32Å; M30-L98 HydrophobicContact CE-CD2 3.55Å; L93-L98 HydrophobicContact CB-CD1 4.07Å; L93-L98 HydrophobicContact CD2-CD1 3.83Å; L93-L98 WeakPolarHBondContact O-CB 3.25Å; L93-L98 WeakPolarHBondContact O-CD1 3.45Å; L93-L98 PolarHBondContact O-N 2.86Å; L96-L98 HydrophobicContact CB-CD1 4.45Å; L98-H102 HydrophobicContact CD2-CB 4.15Å
99P82.7Confident82.6Confident52 Ų5243.3 Ų43.334%0.33824%0.235SC..  trans-53.5141.6168.8-25.933.2000112.3E101 H102 A103P99-E101 PolarHBondContact O-N 2.98Å; P99-E101 VanDerWaalsContact O-N 3.1Å; P99-H102 WeakPolarHBondContact O-CB 3.34Å; P99-H102 PolarHBondContact O-N 3.49Å; P99-A103 PolarHBondContact O-N 3.45Å; P99-A103 VanDerWaalsContact O-N 3.08Å
100K81.6Confident82.5Confident146 Ų14643.5 Ų43.564%0.63524%0.235SC*.Hα-helixtrans-53.6-34.3179.8-174.4172.9-178.2175.90113.1T104K100-T104 WeakPolarHBondContact O-CB 3.31Å; K100-T104 PolarHBondContact O-N 3.49Å; K100-T104 PolarHBondContact O-OG1 3.05Å
101E83.3Confident82.3Confident133 Ų13348.3 Ų48.362%0.62126%0.256SS*.Hα-helixtrans-64.9-39.5175.8-61.3-166159.400112.8S27 P99 G105S27-E101 PolarHBondContact OG-OE2 2.9Å; P99-E101 PolarHBondContact O-N 2.98Å; P99-E101 VanDerWaalsContact O-N 3.1Å; E101-G105 PolarHBondContact O-N 3.12Å
102H81.8Confident82.1Confident13 Ų1351.8 Ų51.86%0.0627%0.27CS..Hα-helixtrans-71.8-44.7179.4-60.4-8000110.9I25 S27 M30 L98 P99 T104 G105 L106I25-H102 PolarHBondContact O-CE1 2.88Å; I25-H102 VanDerWaalsContact O-CE1 3.32Å; I25-H102 PolarHBondContact O-NE2 2.77Å; S27-H102 VanDerWaalsContact CA-CE1 3.44Å; S27-H102 WeakPolarHBondContact CA-CE1 3.37Å; S27-H102 VanDerWaalsContact CA-ND1 3.28Å; S27-H102 WeakPolarHBondContact CA-ND1 3.21Å; S27-H102 WeakPolarHBondContact CB-ND1 3.32Å; S27-H102 PolarHBondContact N-CE1 3.22Å; S27-H102 VanDerWaalsContact N-CE1 3.27Å; M30-H102 HydrophobicContact CG-CB 4.22Å; L98-H102 HydrophobicContact CD2-CB 4.15Å; P99-H102 WeakPolarHBondContact O-CB 3.34Å; P99-H102 PolarHBondContact O-N 3.49Å; H102-T104 VanDerWaalsContact C-N 3.35Å; H102-T104 PolarHBondContact O-N 3.5Å; H102-G105 PolarHBondContact O-N 2.87Å; H102-L106 WeakPolarHBondContact O-CB 3.19Å; H102-L106 PolarHBondContact O-N 3.37Å
103A83.1Confident81.7Confident0 Ų054 Ų540%028%0.279CS..Hα-helixtrans-57.9-47.8175.400000111.1L93 Q94 P99 G105 L106 C107L93-A103 HydrophobicContact CB-CB 4Å; Q94-A103 HydrophobicContact CG-CB 4.08Å; P99-A103 PolarHBondContact O-N 3.45Å; P99-A103 VanDerWaalsContact O-N 3.08Å; A103-G105 PolarHBondContact O-N 3.12Å; A103-L106 PolarHBondContact O-N 3.35Å; A103-C107 WeakPolarHBondContact O-CB 3.41Å; A103-C107 PolarHBondContact O-N 3.5Å; A103-C107 PolarHBondContact O-SG 3.32Å
104T83Confident81.4Confident53 Ų5355.8 Ų55.833%0.32529%0.288SS..Hα-helixtrans-64.1-39178.4-51.90000112.2K100 H102 K108K100-T104 WeakPolarHBondContact O-CB 3.31Å; K100-T104 PolarHBondContact O-N 3.49Å; K100-T104 PolarHBondContact O-OG1 3.05Å; H102-T104 VanDerWaalsContact C-N 3.35Å; H102-T104 PolarHBondContact O-N 3.5Å; T104-K108 WeakPolarHBondContact O-CG 3.45Å; T104-K108 PolarHBondContact O-N 2.99Å
105G81.3Confident81Confident15 Ų1556 Ų5616%0.15530%0.297CS..Hα-helixtrans-64.4-40.9176.200000112.9E101 H102 A103 S109E101-G105 PolarHBondContact O-N 3.12Å; H102-G105 PolarHBondContact O-N 2.87Å; A103-G105 PolarHBondContact O-N 3.12Å; G105-S109 PolarHBondContact O-N 3.26Å; G105-S109 PolarHBondContact O-OG 2.88Å
106L81.9Confident80.9Confident1 Ų152 Ų521%0.00529%0.285CS..Hα-helixtrans-68.5-47177.4-172.6155.1000111.4M30 L72 I75 L76 L89 L93 H102 A103 K108 S109 Y110M30-L106 HydrophobicContact CE-CD1 4.23Å; L72-L106 HydrophobicContact CD2-CD1 3.78Å; I75-L106 HydrophobicContact CG2-CD2 4.49Å; L76-L106 HydrophobicContact CD2-CD2 3.91Å; L76-L106 HydrophobicContact CD2-CG 4.38Å; L89-L106 HydrophobicContact CD2-CD2 3.96Å; L93-L106 HydrophobicContact CD1-CD1 4.17Å; L93-L106 HydrophobicContact CD1-CD2 3.78Å; L93-L106 HydrophobicContact CD1-CG 4.38Å; H102-L106 WeakPolarHBondContact O-CB 3.19Å; H102-L106 PolarHBondContact O-N 3.37Å; A103-L106 PolarHBondContact O-N 3.35Å; L106-K108 VanDerWaalsContact C-N 3.33Å; L106-K108 PolarHBondContact O-N 2.96Å; L106-S109 PolarHBondContact O-N 3.39Å; L106-Y110 WeakPolarHBondContact O-CB 3.29Å; L106-Y110 PolarHBondContact O-N 3.5Å
107C82.9Confident80.8Confident7 Ų751.1 Ų51.15%0.04728%0.281CS..Hα-helixtrans-60.2-40.8179.9-68.70000112.7S86 S90 A103 Y110 E111S86-C107 PolarHBondContact O-SG 2.91Å; S90-C107 PolarHBondContact N-SG 2.85Å; A103-C107 WeakPolarHBondContact O-CB 3.41Å; A103-C107 PolarHBondContact O-N 3.5Å; A103-C107 PolarHBondContact O-SG 3.32Å; C107-Y110 WeakPolarHBondContact O-CB 3.42Å; C107-Y110 PolarHBondContact O-N 3.46Å; C107-E111 WeakPolarHBondContact O-CB 3.43Å; C107-E111 PolarHBondContact O-N 3.27Å
108K82.9Confident80.6Confident120 Ų12050.9 Ų50.952%0.52227%0.266SS..Hα-helixtrans-61.8-45.8175.1-74.2180178.5-177.20112.2T104 L106 Y110 E111 D112T104-K108 WeakPolarHBondContact O-CG 3.45Å; T104-K108 PolarHBondContact O-N 2.99Å; L106-K108 VanDerWaalsContact C-N 3.33Å; L106-K108 PolarHBondContact O-N 2.96Å; K108-Y110 VanDerWaalsContact C-N 3.28Å; K108-Y110 PolarHBondContact O-N 3.1Å; K108-E111 PolarHBondContact O-N 3.47Å; K108-D112 VanDerWaalsContact O-CG 3.32Å; K108-D112 PolarHBondContact O-N 3.01Å
109S80.3Confident80.3Confident10 Ų1054.4 Ų54.47%0.0729%0.285CS..Hα-helixtrans-67-30.8177.9-70.50000113.1L38 G105 L106L38-S109 WeakPolarHBondContact CD1-O 3.38Å; G105-S109 PolarHBondContact O-N 3.26Å; G105-S109 PolarHBondContact O-OG 2.88Å; L106-S109 PolarHBondContact O-N 3.39Å
110Y80.3Confident79.9Confident4 Ų455.2 Ų55.22%0.01628%0.283CS..Hα-helixtrans-68.8-48.9172.9172.4-101.1000111.5L76 A79 A80 L89 L106 C107 K108 D112 K113 H114 L117L76-Y110 HydrophobicContact CD2-CD2 3.76Å; L76-Y110 HydrophobicContact CD2-CG 4.26Å; A79-Y110 HydrophobicContact CB-CE2 3.75Å; A79-Y110 PolarHBondContact O-OH 3.08Å; A79-Y110 VanDerWaalsContact O-OH 3.08Å; A80-Y110 VanDerWaalsContact CA-OH 3.24Å; A80-Y110 WeakPolarHBondContact CA-OH 3.29Å; A80-Y110 HydrophobicContact CB-CE2 4.03Å; A80-Y110 PolarHBondContact N-OH 2.87Å; A80-Y110 VanDerWaalsContact N-OH 3.12Å; L89-Y110 HydrophobicContact CD2-CD1 4.14Å; L89-Y110 HydrophobicContact CD2-CE1 4.45Å; L89-Y110 HydrophobicContact CD2-CG 4.26Å; L106-Y110 WeakPolarHBondContact O-CB 3.29Å; L106-Y110 PolarHBondContact O-N 3.5Å; C107-Y110 WeakPolarHBondContact O-CB 3.42Å; C107-Y110 PolarHBondContact O-N 3.46Å; K108-Y110 VanDerWaalsContact C-N 3.28Å; K108-Y110 PolarHBondContact O-N 3.1Å; Y110-D112 VanDerWaalsContact C-N 3.32Å; Y110-D112 PolarHBondContact O-N 2.85Å; Y110-K113 CarbonylContact O-C 3.26Å; Y110-K113 PolarHBondContact O-N 2.84Å; Y110-H114 HydrophobicContact CE1-CB 4.46Å; Y110-H114 AromaticContact CE1-ND1 3.68Å; Y110-H114 AromaticContact CE2-ND1 3.77Å; Y110-H114 AromaticContact CZ-CE1 3.76Å; Y110-H114 AromaticContact CZ-ND1 3.18Å; Y110-H114 WeakPolarHBondContact O-CA 3.5Å; Y110-H114 WeakPolarHBondContact O-CB 3.47Å; Y110-H114 PolarHBondContact O-N 3.45Å; Y110-H114 PolarHBondContact OH-CE1 3.35Å; Y110-H114 PolarHBondContact OH-ND1 3.06Å; Y110-L117 HydrophobicContact CE2-CD2 4.39Å
111E81.6Confident79.5Confident119 Ų11949.7 Ų49.756%0.55626%0.261SS*.Hα-helixtrans-59.2-41.2-179-168.3168.3-179.300112.3S86 C107 K108 K113S86-E111 PolarHBondContact OG-OE2 3.17Å; C107-E111 WeakPolarHBondContact O-CB 3.43Å; C107-E111 PolarHBondContact O-N 3.27Å; K108-E111 PolarHBondContact O-N 3.47Å; E111-K113 PolarHBondContact O-N 3.39Å
112D80.6Confident78.8Confident130 Ų13049.9 Ų49.970%0.69526%0.255SS*.THydrogen-bonded Turntrans-59.9-27.2176-70.9-24.1000113.4K108 Y110K108-D112 VanDerWaalsContact O-CG 3.32Å; K108-D112 PolarHBondContact O-N 3.01Å; Y110-D112 VanDerWaalsContact C-N 3.32Å; Y110-D112 PolarHBondContact O-N 2.85Å
113K74.9Confident78.1Confident58 Ų5855.7 Ų55.725%0.25229%0.287SS..THydrogen-bonded Turntrans-123.28.6-173.2-69.8-168.3169.7-166.10114.1L38 L42 Y110 E111 S115 A116 L117L38-K113 HydrophobicContact CB-CD 3.77Å; L38-K113 HydrophobicContact CD1-CB 4.42Å; L38-K113 HydrophobicContact CD1-CD 4.03Å; L38-K113 HydrophobicContact CD2-CB 4.27Å; L38-K113 HydrophobicContact CG-CD 4.33Å; L42-K113 HydrophobicContact CD1-CD 3.95Å; Y110-K113 CarbonylContact O-C 3.26Å; Y110-K113 PolarHBondContact O-N 2.84Å; E111-K113 PolarHBondContact O-N 3.39Å; K113-S115 PolarHBondContact O-N 3Å; K113-A116 PolarHBondContact O-N 3.49Å; K113-L117 WeakPolarHBondContact O-CB 3.42Å; K113-L117 PolarHBondContact O-N 2.79Å
114H76.1Confident77.1Confident39 Ų3959.5 Ų59.518%0.18131%0.31CS..Hα-helixtrans-59.5-49.8-175.118053.9000111.6D83 Y110 A116 L117 Q118D83-H114 IonicContact OD1-CE1 2.78Å; D83-H114 PolarHBondContact OD1-CE1 3.35Å; D83-H114 IonicContact OD1-NE2 3.75Å; D83-H114 PolarHBondContact OD1-NE2 3Å; Y110-H114 HydrophobicContact CE1-CB 4.46Å; Y110-H114 AromaticContact CE1-ND1 3.68Å; Y110-H114 AromaticContact CE2-ND1 3.77Å; Y110-H114 AromaticContact CZ-CE1 3.76Å; Y110-H114 AromaticContact CZ-ND1 3.18Å; Y110-H114 WeakPolarHBondContact O-CA 3.5Å; Y110-H114 WeakPolarHBondContact O-CB 3.47Å; Y110-H114 PolarHBondContact O-N 3.45Å; Y110-H114 PolarHBondContact OH-CE1 3.35Å; Y110-H114 PolarHBondContact OH-ND1 3.06Å; H114-A116 PolarHBondContact O-N 3.43Å; H114-L117 PolarHBondContact O-N 3.48Å; H114-Q118 WeakPolarHBondContact O-CB 3.44Å; H114-Q118 PolarHBondContact O-N 3.47Å
115S77.2Confident75.9Confident76 Ų7660.5 Ų60.553%0.53132%0.319SS..Hα-helixtrans-59.9-49.4179.954.70000112.3K113 L117 Q118 D119K113-S115 PolarHBondContact O-N 3Å; S115-L117 VanDerWaalsContact C-N 3.31Å; S115-L117 PolarHBondContact O-N 3.18Å; S115-Q118 PolarHBondContact O-N 3.01Å; S115-D119 WeakPolarHBondContact O-CB 3.43Å; S115-D119 PolarHBondContact O-N 3.19Å
116A79.6Confident74.7Confident39 Ų3965.8 Ų65.832%0.32234%0.344SS..Hα-helixtrans-63.3-36.9179.200000112.5L42 K113 H114 K120L42-A116 HydrophobicContact CD2-CB 3.85Å; K113-A116 PolarHBondContact O-N 3.49Å; H114-A116 PolarHBondContact O-N 3.43Å; A116-K120 WeakPolarHBondContact O-CB 3.45Å; A116-K120 PolarHBondContact O-N 3.48Å; A116-K120 VanDerWaalsContact O-N 3.08Å
117L78.9Confident73.6Confident2 Ų272.7 Ų72.71%0.0137%0.37CS..Hα-helixtrans-68.9-42.2175.9-172.768.4000111.1L38 L41 L76 A80 Y110 K113 H114 S115 K120 L121L38-L117 HydrophobicContact CD2-CD2 4.44Å; L41-L117 HydrophobicContact CB-CD1 3.63Å; L41-L117 HydrophobicContact CD1-CD1 3.98Å; L41-L117 HydrophobicContact CG-CD1 4.34Å; L76-L117 HydrophobicContact CB-CD2 4.49Å; A80-L117 HydrophobicContact CB-CD2 3.47Å; A80-L117 VanDerWaalsContact CB-CD2 3.47Å; A80-L117 HydrophobicContact CB-CG 3.89Å; Y110-L117 HydrophobicContact CE2-CD2 4.39Å; K113-L117 WeakPolarHBondContact O-CB 3.42Å; K113-L117 PolarHBondContact O-N 2.79Å; H114-L117 PolarHBondContact O-N 3.48Å; S115-L117 VanDerWaalsContact C-N 3.31Å; S115-L117 PolarHBondContact O-N 3.18Å; L117-K120 PolarHBondContact O-N 3.01Å; L117-L121 HydrophobicContact CG-CD1 4.1Å; L117-L121 VanDerWaalsContact O-CB 3.29Å; L117-L121 WeakPolarHBondContact O-CB 3.4Å; L117-L121 VanDerWaalsContact O-CG 3.24Å; L117-L121 WeakPolarHBondContact O-CG 3.27Å; L117-L121 PolarHBondContact O-N 3.31Å
118Q77.3Confident72.4Confident44 Ų4479.5 Ų79.521%0.20641%0.405CS..Hα-helixtrans-65.3-42177.7-164.8-17945.200111.5D83 H114 S115 L121 R122D83-Q118 PolarHBondContact OD1-NE2 3.35Å; H114-Q118 WeakPolarHBondContact O-CB 3.44Å; H114-Q118 PolarHBondContact O-N 3.47Å; S115-Q118 PolarHBondContact O-N 3.01Å; Q118-L121 PolarHBondContact O-N 3.03Å; Q118-R122 WeakPolarHBondContact O-CB 3.36Å; Q118-R122 VanDerWaalsContact O-CG 3.26Å; Q118-R122 WeakPolarHBondContact O-CG 3.4Å; Q118-R122 PolarHBondContact O-N 3.08Å
119D75.8Confident71.4Confident82 Ų8280.5 Ų80.544%0.43941%0.405SS..Hα-helixtrans-62.7-46.2175.7-72.3-25.5000111.1S115 L121 R122 D123S115-D119 WeakPolarHBondContact O-CB 3.43Å; S115-D119 PolarHBondContact O-N 3.19Å; D119-L121 VanDerWaalsContact C-N 3.34Å; D119-L121 PolarHBondContact O-N 2.86Å; D119-R122 WeakPolarHBondContact O-CB 3.26Å; D119-R122 PolarHBondContact O-N 3.44Å; D119-D123 PolarHBondContact O-N 3.44Å
120K74Confident70.9Confident68 Ų6888.9 Ų88.930%0.29644%0.435SS..Hα-helixtrans-64.9-38.2175.7-158.3-154.5-165.7-1660112.6L41 L42 A116 L117 R122 D123 T124L41-K120 WeakPolarHBondContact O-CD 3.48Å; L41-K120 VanDerWaalsContact O-CE 3.27Å; L41-K120 WeakPolarHBondContact O-CE 3.44Å; L41-K120 PolarHBondContact O-NZ 3.28Å; L42-K120 VanDerWaalsContact C-CE 3.48Å; L42-K120 WeakPolarHBondContact O-CE 3.16Å; A116-K120 WeakPolarHBondContact O-CB 3.45Å; A116-K120 PolarHBondContact O-N 3.48Å; A116-K120 VanDerWaalsContact O-N 3.08Å; L117-K120 PolarHBondContact O-N 3.01Å; K120-R122 VanDerWaalsContact C-N 3.33Å; K120-D123 PolarHBondContact O-N 3.38Å; K120-T124 VanDerWaalsContact O-CB 3.31Å; K120-T124 WeakPolarHBondContact O-CB 3.45Å; K120-T124 PolarHBondContact O-N 2.94Å; K120-T124 PolarHBondContact O-OG1 3.11Å
121L72.1Confident70.8Confident31 Ų3192.9 Ų92.916%0.16246%0.457CS..Hα-helixtrans-67.1-35.3175.6-77.6171.9000111.4A80 K81 L117 Q118 D119 T124 S125A80-L121 HydrophobicContact CB-CD1 3.58Å; K81-L121 HydrophobicContact CG-CD1 4.18Å; L117-L121 HydrophobicContact CG-CD1 4.1Å; L117-L121 VanDerWaalsContact O-CB 3.29Å; L117-L121 WeakPolarHBondContact O-CB 3.4Å; L117-L121 VanDerWaalsContact O-CG 3.24Å; L117-L121 WeakPolarHBondContact O-CG 3.27Å; L117-L121 PolarHBondContact O-N 3.31Å; Q118-L121 PolarHBondContact O-N 3.03Å; D119-L121 VanDerWaalsContact C-N 3.34Å; D119-L121 PolarHBondContact O-N 2.86Å; L121-T124 PolarHBondContact O-N 3.08Å; L121-S125 WeakPolarHBondContact O-CA 3.35Å; L121-S125 WeakPolarHBondContact O-CB 3.28Å; L121-S125 PolarHBondContact O-N 3.34Å; L121-S125 PolarHBondContact O-OG 3.38Å
122R69.1Low70.9Confident136 Ų13692.9 Ų92.951%0.51346%0.46SS..Hα-helixtrans-63-46.8171.1-77170.9174.7-177.70.4110.8Q118 D119 K120 T124 L126Q118-R122 WeakPolarHBondContact O-CB 3.36Å; Q118-R122 VanDerWaalsContact O-CG 3.26Å; Q118-R122 WeakPolarHBondContact O-CG 3.4Å; Q118-R122 PolarHBondContact O-N 3.08Å; D119-R122 WeakPolarHBondContact O-CB 3.26Å; D119-R122 PolarHBondContact O-N 3.44Å; K120-R122 VanDerWaalsContact C-N 3.33Å; R122-T124 VanDerWaalsContact C-N 3.28Å; R122-T124 PolarHBondContact O-N 3.29Å; R122-L126 PolarHBondContact O-N 3.01Å
123D67.1Low71Confident135 Ų13588.4 Ų88.472%0.72244%0.439SS*.Hα-helixtrans-63.2-33.1177-74.7-18.7000112.9D119 K120D119-D123 PolarHBondContact O-N 3.44Å; K120-D123 PolarHBondContact O-N 3.38Å
124T62.1Low71.6Confident80 Ų8089.3 Ų89.349%0.49145%0.45SS..Hα-helixtrans-91.6-34.6-175.7-49.10000113.1K120 L121 R122K120-T124 VanDerWaalsContact O-CB 3.31Å; K120-T124 WeakPolarHBondContact O-CB 3.45Å; K120-T124 PolarHBondContact O-N 2.94Å; K120-T124 PolarHBondContact O-OG1 3.11Å; L121-T124 PolarHBondContact O-N 3.08Å; R122-T124 VanDerWaalsContact C-N 3.28Å; R122-T124 PolarHBondContact O-N 3.29Å
125S58.3Low72.1Confident74 Ų7490.1 Ų90.152%0.51746%0.46SS..Hα-helixtrans-92-24.2-170.3-53.50000113.9L121 R127L121-S125 WeakPolarHBondContact O-CA 3.35Å; L121-S125 WeakPolarHBondContact O-CB 3.28Å; L121-S125 PolarHBondContact O-N 3.34Å; L121-S125 PolarHBondContact O-OG 3.38Å; S125-R127 PolarHBondContact O-N 2.97Å
126L56.4Low72.7Confident127 Ų12794.5 Ų94.567%0.66547%0.465SS*.  trans-98.559.2-179.4-67.7171.2000111.8R122 L128R122-L126 PolarHBondContact O-N 3.01Å; L126-L128 PolarHBondContact O-N 3.32Å
127R58.1Low73Confident145 Ų145101 Ų10155%0.54748%0.481SS..  trans-81.158.6166.1-71-175.7172.9159.5-2.5111.1S125 R129 T164S125-R127 PolarHBondContact O-N 2.97Å; R127-R129 PolarHBondContact O-N 3.29Å; R127-T164 PolarHBondContact NE-O 3.18Å; R127-T164 PolarHBondContact NH1-O 3.4Å
128L57.8Low73.3Confident151 Ų151105.6 Ų105.679%0.79151%0.505SS*.  trans-63.6123.7150.3-91.1147.2000105.7L126 R130L126-L128 PolarHBondContact O-N 3.32Å; L128-R130 PolarHBondContact O-N 3.2Å
129R62.2Low73.6Confident141 Ų141107.3 Ų107.353%0.53252%0.515SS..  trans-56.6112.4179.3-67.3-170.7-170-178.6-1.9108.2R127 D170R127-R129 PolarHBondContact O-N 3.29Å; R129-D170 IonicContact CZ-OD2 2.7Å; R129-D170 IonicContact NH1-OD2 2.59Å; R129-D170 PolarHBondContact NH1-OD2 2.99Å
130R69.6Low73.7Confident185 Ų185109.2 Ų109.270%0.69852%0.517SS*.  trans-75.4131.6179.9-170.8174.9179.6177.40.2108.5L128 D132 T161 Q162L128-R130 PolarHBondContact O-N 3.2Å; R130-D132 PolarHBondContact O-N 2.93Å; R130-T161 CarbonylContact O-C 3.57Å; R130-T161 VanDerWaalsContact O-CA 3.28Å; R130-T161 WeakPolarHBondContact O-CA 3.4Å; R130-Q162 HydrophobicContact CB-CB 4.4Å; R130-Q162 PolarHBondContact O-N 3.29Å
131L79.2Confident73.6Confident88 Ų88109 Ų10946%0.46152%0.522SS..EExtended strand (participates in β ladder)trans-70.7113.8169.6-171.269.1000108V134 L159 Q160 T161L131-V134 HydrophobicContact CD1-CG2 4.19Å; L131-V134 HydrophobicContact CD2-CG2 3.4Å; L131-V134 VanDerWaalsContact CD2-CG2 3.4Å; L131-V134 HydrophobicContact CG-CG2 3.89Å; L131-L159 HydrophobicContact CD1-CB 3.81Å; L131-L159 HydrophobicContact CD1-CD2 3.93Å; L131-L159 HydrophobicContact CD1-CG 4.42Å; L131-L159 HydrophobicContact CD2-CD2 4.43Å; L131-Q160 CarbonylContact C-O 3.58Å; L131-Q160 WeakPolarHBondContact CD1-O 3.2Å; L131-T161 HydrophobicContact CD1-CG2 3.96Å
132D81.9Confident73.4Confident119 Ų119112.8 Ų112.864%0.63654%0.541SS*.EExtended strand (participates in β ladder)trans-85.7-48.1-176.7-170.944.3000110.6R130 Q160R130-D132 PolarHBondContact O-N 2.93Å; D132-Q160 PolarHBondContact N-O 3.38Å
133S82.9Confident73.1Confident36 Ų36110 Ų11025%0.25254%0.543SS..EExtended strand (participates in β ladder)trans-146.7153.6177.4890000112.7Q160S133-Q160 PolarHBondContact N-O 3.2Å; S133-Q160 PolarHBondContact O-N 2.84Å; S133-Q160 WeakPolarHBondContact OG-CB 3.28Å; S133-Q160 WeakPolarHBondContact OG-CG 3.18Å; S133-Q160 PolarHBondContact OG-OE1 3.45Å
134V87.3Confident73.1Confident78 Ų78106.6 Ų106.647%0.47353%0.529SS..EExtended strand (participates in β ladder)trans-125.2123173.2-177.30000107.9L131 K158 L159L131-V134 HydrophobicContact CD1-CG2 4.19Å; L131-V134 HydrophobicContact CD2-CG2 3.4Å; L131-V134 VanDerWaalsContact CD2-CG2 3.4Å; L131-V134 HydrophobicContact CG-CG2 3.89Å; V134-K158 WeakPolarHBondContact CA-O 3.25Å; V134-L159 HydrophobicContact CB-CD2 4.42Å; V134-L159 HydrophobicContact CG1-CD2 3.96Å; V134-L159 HydrophobicContact CG2-CD2 3.83Å
135S88.4Confident73.4Confident56 Ų56108.7 Ų108.739%0.39255%0.547SS..EExtended strand (participates in β ladder)trans-117.6141.4170.4-62.40000109.2K158S135-K158 PolarHBondContact N-O 3.09Å; S135-K158 PolarHBondContact O-N 3.18Å
136W88.1Confident73.5Confident167 Ų167113.3 Ų113.363%0.63356%0.561SS**EExtended strand (participates in β ladder)trans-129151.5178.866.9-91.5000110.9I138 H156 L157W136-I138 HydrophobicContact CE3-CD1 4.15Å; W136-I138 HydrophobicContact CE3-CG1 3.89Å; W136-I138 HydrophobicContact CH2-CD1 4.41Å; W136-I138 HydrophobicContact CZ3-CD1 3.54Å; W136-I138 HydrophobicContact CZ3-CG1 3.66Å; W136-H156 CarbonylContact C-O 3.51Å; W136-H156 VanDerWaalsContact CA-O 3.25Å; W136-H156 WeakPolarHBondContact CA-O 3.34Å; W136-L157 HydrophobicContact CB-CD2 3.77Å
137R87.7Confident73.3Confident177 Ų177112.5 Ų112.567%0.66856%0.556SS**EExtended strand (participates in β ladder)trans-142.8147.9174-56.7-176.9-176.9178.1-1.2108.9H156R137-H156 HydrophobicContact CB-CB 4.37Å; R137-H156 PolarHBondContact N-O 3.12Å; R137-H156 PolarHBondContact O-N 2.93Å
138I84.9Confident73.2Confident98 Ų98116.7 Ų116.750%0.50357%0.572SS.*EExtended strand (participates in β ladder)trans-117.5119.5175.1-61.8169.9000106.8W136 P153 L154 V155W136-I138 HydrophobicContact CE3-CD1 4.15Å; W136-I138 HydrophobicContact CE3-CG1 3.89Å; W136-I138 HydrophobicContact CH2-CD1 4.41Å; W136-I138 HydrophobicContact CZ3-CD1 3.54Å; W136-I138 HydrophobicContact CZ3-CG1 3.66Å; I138-P153 HydrophobicContact CG2-CB 4.39Å; I138-L154 WeakPolarHBondContact CA-O 3.49Å; I138-V155 HydrophobicContact CG1-CG2 4.39Å
139D83.8Confident73Confident80 Ų80116.8 Ų116.843%0.42857%0.569SS.*EExtended strand (participates in β ladder)trans-105.7141.1176.1-68.2-6000108.3L154 H156D139-L154 PolarHBondContact N-O 3.24Å; D139-L154 PolarHBondContact O-N 3.43Å; D139-H156 IonicContact OD2-CD2 3.15Å; D139-H156 PolarHBondContact OD2-CD2 3.38Å; D139-H156 IonicContact OD2-NE2 3.17Å; D139-H156 PolarHBondContact OD2-NE2 2.88Å
140Y77.4Confident72.9Confident121 Ų121111.9 Ų111.948%0.47555%0.554SS.*EExtended strand (participates in β ladder)trans-115.2111.6179.6-160.5-101.6000108.7L142 N151 P153Y140-L142 HydrophobicContact CD1-CD2 3.56Å; Y140-L142 HydrophobicContact CD1-CG 4.02Å; Y140-L142 HydrophobicContact CE1-CD2 3.7Å; Y140-L142 PolarHBondContact O-N 2.96Å; Y140-N151 HydrophobicContact CE1-CB 4.28Å; Y140-N151 VanDerWaalsContact CZ-O 3.3Å; Y140-N151 WeakPolarHBondContact OH-CA 3.35Å; Y140-N151 VanDerWaalsContact OH-CB 3.32Å; Y140-N151 WeakPolarHBondContact OH-CB 3.44Å; Y140-N151 PolarHBondContact OH-O 3.19Å; Y140-P153 HydrophobicContact CD2-CB 3.94Å; Y140-P153 HydrophobicContact CD2-CG 4.33Å; Y140-P153 HydrophobicContact CE2-CB 4.23Å; Y140-P153 HydrophobicContact CE2-CG 4.1Å
141T71.3Confident72.6Confident65 Ų65106.4 Ų106.440%0.39954%0.539SS..EExtended strand (participates in β ladder)trans-87.7103.9-179.1-550000108.9N151 E152T141-N151 PolarHBondContact O-N 3.38Å; T141-E152 PolarHBondContact N-O 3.24Å; T141-E152 VanDerWaalsContact N-O 3.12Å; T141-E152 PolarHBondContact O-N 3.26Å
142L67.8Low72.2Confident110 Ų110108.2 Ų108.258%0.57655%0.545SS*.  trans-73.5-41.9-176.1-68.5162.8000112.2Y140 V150Y140-L142 HydrophobicContact CD1-CD2 3.56Å; Y140-L142 HydrophobicContact CD1-CG 4.02Å; Y140-L142 HydrophobicContact CE1-CD2 3.7Å; Y140-L142 PolarHBondContact O-N 2.96Å; L142-V150 PolarHBondContact O-N 3.11Å
143S62.4Low72Confident77 Ų77105 Ų10554%0.53853%0.53SS..  trans-146.9152-179.3-54.40000111.2R148S143-R148 WeakPolarHBondContact CB-O 3.4Å; S143-R148 PolarHBondContact OG-O 3.37Å
144S68Low72.1Confident63 Ų63106 Ų10644%0.44153%0.533SS..BIsolated β-bridgetrans-121.3160.1173.6178.30000109.9E146 L147S144-E146 PolarHBondContact O-N 3.08Å; S144-L147 PolarHBondContact N-O 2.59Å; S144-L147 CarbonylContact O-C 3.59Å; S144-L147 PolarHBondContact O-N 3.08Å; S144-L147 VanDerWaalsContact O-N 3.11Å
145S67.7Low72Confident124 Ų124102.9 Ų102.987%0.86751%0.514SS*.THydrogen-bonded Turntrans-55.4-26.8177.8-540000113.3
146E60.2Low72Confident172 Ų172102.4 Ų102.480%0.80451%0.505SS*.THydrogen-bonded Turntrans-97.1-18.5-179.4-58.7-64.7124.500113.6S144S144-E146 PolarHBondContact O-N 3.08Å
147L53.5Low72Confident109 Ų10995.2 Ų95.257%0.57148%0.479SS*.BIsolated β-bridgetrans-140.5123-171.2-81.9161.3000111.6S144 E149 V150S144-L147 PolarHBondContact N-O 2.59Å; S144-L147 CarbonylContact O-C 3.59Å; S144-L147 PolarHBondContact O-N 3.08Å; S144-L147 VanDerWaalsContact O-N 3.11Å; L147-E149 VanDerWaalsContact C-N 3.34Å; L147-E149 PolarHBondContact O-N 2.78Å; L147-V150 HydrophobicContact CB-CG2 3.76Å
148R54.9Low72Confident233 Ų23390.6 Ų90.688%0.87946%0.464SS*.SBendtrans-63.1-32.5-177-96.5179.5173168.3-2114.2S143S143-R148 WeakPolarHBondContact CB-O 3.4Å; S143-R148 PolarHBondContact OG-O 3.37Å
149E53.5Low72.2Confident154 Ų15488.4 Ų88.472%0.7245%0.453SS*.  trans-138.4115.9175.2-68.9-176.4167.600108.6L147L147-E149 VanDerWaalsContact C-N 3.34Å; L147-E149 PolarHBondContact O-N 2.78Å
150V60.6Low72.3Confident37 Ų3786.9 Ų86.922%0.22444%0.443CS..  trans-104.4-44.1177179.60000109.7L142 L147 E152L142-V150 PolarHBondContact O-N 3.11Å; L147-V150 HydrophobicContact CB-CG2 3.76Å; V150-E152 HydrophobicContact CG1-CB 4.03Å; V150-E152 HydrophobicContact CG1-CG 3.95Å; V150-E152 PolarHBondContact O-N 3.18Å; V150-E152 VanDerWaalsContact O-N 3.12Å
151N63Low72.5Confident70 Ų7082.2 Ų82.237%0.37443%0.427SS..  trans52.632.1174-72.8-33.8000114.4Y140 T141Y140-N151 HydrophobicContact CE1-CB 4.28Å; Y140-N151 VanDerWaalsContact CZ-O 3.3Å; Y140-N151 WeakPolarHBondContact OH-CA 3.35Å; Y140-N151 VanDerWaalsContact OH-CB 3.32Å; Y140-N151 WeakPolarHBondContact OH-CB 3.44Å; Y140-N151 PolarHBondContact OH-O 3.19Å; T141-N151 PolarHBondContact O-N 3.38Å
152E71.6Confident72.7Confident127 Ų12784.2 Ų84.259%0.59343%0.432SS*.EExtended strand (participates in β ladder)trans-100.9126-178.8-73-176177.400111.4T141 V150T141-E152 PolarHBondContact N-O 3.24Å; T141-E152 VanDerWaalsContact N-O 3.12Å; T141-E152 PolarHBondContact O-N 3.26Å; V150-E152 HydrophobicContact CG1-CB 4.03Å; V150-E152 HydrophobicContact CG1-CG 3.95Å; V150-E152 PolarHBondContact O-N 3.18Å; V150-E152 VanDerWaalsContact O-N 3.12Å
153P78Confident72.5Confident50 Ų5079.7 Ų79.733%0.32541%0.412SS..EExtended strand (participates in β ladder)trans-76.7135.8170.213.5-3.3000110.6I138 Y140 P178I138-P153 HydrophobicContact CG2-CB 4.39Å; Y140-P153 HydrophobicContact CD2-CB 3.94Å; Y140-P153 HydrophobicContact CD2-CG 4.33Å; Y140-P153 HydrophobicContact CE2-CB 4.23Å; Y140-P153 HydrophobicContact CE2-CG 4.1Å; P153-P178 HydrophobicContact CB-CG 4.1Å; P153-P178 HydrophobicContact CG-CG 3.72Å; P153-P178 WeakPolarHBondContact O-CD 3.3Å; P153-P178 VanDerWaalsContact O-CG 3.28Å; P153-P178 WeakPolarHBondContact O-CG 3.5Å
154L83.2Confident72.2Confident58 Ų5879.9 Ų79.930%0.30441%0.41SS..EExtended strand (participates in β ladder)trans-119.8131.6174.9-153.994.9000109.5I138 D139 H156I138-L154 WeakPolarHBondContact CA-O 3.49Å; D139-L154 PolarHBondContact N-O 3.24Å; D139-L154 PolarHBondContact O-N 3.43Å; L154-H156 VanDerWaalsContact CD2-CE1 3.41Å; L154-H156 WeakPolarHBondContact CD2-CE1 3.46Å; L154-H156 WeakPolarHBondContact CD2-NE2 3.43Å
155V85.8Confident71.9Confident13 Ų1383.7 Ų83.78%0.07942%0.421CS..EExtended strand (participates in β ladder)trans-99.8118.6178.5-173.80000109.1I138 L157 S175 I176 F181I138-V155 HydrophobicContact CG1-CG2 4.39Å; V155-L157 HydrophobicContact CG1-CD2 4.41Å; V155-L157 HydrophobicContact CG1-CG 4.37Å; V155-S175 CarbonylContact O-C 3.47Å; V155-S175 WeakPolarHBondContact O-CA 3.46Å; V155-I176 WeakPolarHBondContact CB-O 3.21Å; V155-I176 PolarHBondContact N-O 3.37Å; V155-I176 PolarHBondContact O-N 3.38Å; V155-F181 HydrophobicContact CG1-CD2 4.21Å; V155-F181 HydrophobicContact CG1-CE2 4.37Å
156H87.6Confident71.3Confident45 Ų4583.5 Ų83.521%0.20842%0.417CS..EExtended strand (participates in β ladder)trans-96.6119.9171.5-67.4-76000110.1W136 R137 D139 L154 V174 S175W136-H156 CarbonylContact C-O 3.51Å; W136-H156 VanDerWaalsContact CA-O 3.25Å; W136-H156 WeakPolarHBondContact CA-O 3.34Å; R137-H156 HydrophobicContact CB-CB 4.37Å; R137-H156 PolarHBondContact N-O 3.12Å; R137-H156 PolarHBondContact O-N 2.93Å; D139-H156 IonicContact OD2-CD2 3.15Å; D139-H156 PolarHBondContact OD2-CD2 3.38Å; D139-H156 IonicContact OD2-NE2 3.17Å; D139-H156 PolarHBondContact OD2-NE2 2.88Å; L154-H156 VanDerWaalsContact CD2-CE1 3.41Å; L154-H156 WeakPolarHBondContact CD2-CE1 3.46Å; L154-H156 WeakPolarHBondContact CD2-NE2 3.43Å; H156-V174 WeakPolarHBondContact CA-O 3.49Å; H156-S175 PolarHBondContact CE1-OG 3.45Å; H156-S175 PolarHBondContact ND1-OG 3.23Å
157L88.1Confident71.4Confident17 Ų1779.2 Ų79.29%0.08942%0.418CS..EExtended strand (participates in β ladder)trans-106.5126.1172.9-66.8174000109.4W136 V155 V173 V174 I176 F181 L184W136-L157 HydrophobicContact CB-CD2 3.77Å; V155-L157 HydrophobicContact CG1-CD2 4.41Å; V155-L157 HydrophobicContact CG1-CG 4.37Å; L157-V173 CarbonylContact O-C 3.39Å; L157-V173 WeakPolarHBondContact O-CA 3.36Å; L157-V174 PolarHBondContact N-O 3.23Å; L157-V174 PolarHBondContact O-N 3.03Å; L157-I176 HydrophobicContact CD1-CD1 3.58Å; L157-I176 HydrophobicContact CD1-CG1 4.49Å; L157-F181 HydrophobicContact CD1-CD2 4.17Å; L157-F181 HydrophobicContact CD1-CE2 4Å; L157-F181 HydrophobicContact CD2-CE2 4.13Å; L157-F181 HydrophobicContact CG-CE2 4.48Å; L157-L184 HydrophobicContact CD1-CD2 4.11Å
158K89.6Confident71.9Confident79 Ų7976.1 Ų76.134%0.34341%0.406SS..EExtended strand (participates in β ladder)trans-109.9111.4171.9-179.1-175.7-174.5-1700108V134 S135 T171 T172 V173V134-K158 WeakPolarHBondContact CA-O 3.25Å; S135-K158 PolarHBondContact N-O 3.09Å; S135-K158 PolarHBondContact O-N 3.18Å; K158-T171 HydrophobicContact CD-CG2 4.09Å; K158-T171 HydrophobicContact CG-CG2 3.66Å; K158-T172 WeakPolarHBondContact CA-O 3.18Å; K158-V173 HydrophobicContact CB-CG2 4.39Å; K158-V173 HydrophobicContact CG-CG2 4.15Å
159L87.5Confident72.7Confident52 Ų5268.9 Ų68.927%0.27239%0.391SS..EExtended strand (participates in β ladder)trans-103.3117.3179.7-58.9171.5000108.1L131 V134 T171 T172L131-L159 HydrophobicContact CD1-CB 3.81Å; L131-L159 HydrophobicContact CD1-CD2 3.93Å; L131-L159 HydrophobicContact CD1-CG 4.42Å; L131-L159 HydrophobicContact CD2-CD2 4.43Å; V134-L159 HydrophobicContact CB-CD2 4.42Å; V134-L159 HydrophobicContact CG1-CD2 3.96Å; V134-L159 HydrophobicContact CG2-CD2 3.83Å; L159-T171 WeakPolarHBondContact O-CA 3.5Å; L159-T172 PolarHBondContact N-O 3.32Å; L159-T172 PolarHBondContact O-N 2.87Å
160Q86Confident73.9Confident49 Ų4964.6 Ų64.623%0.22937%0.373CS..EExtended strand (participates in β ladder)trans-98.1122.1172.2-63.6-170.1-41.500108.5L131 D132 S133 T171L131-Q160 CarbonylContact C-O 3.58Å; L131-Q160 WeakPolarHBondContact CD1-O 3.2Å; D132-Q160 PolarHBondContact N-O 3.38Å; S133-Q160 PolarHBondContact N-O 3.2Å; S133-Q160 PolarHBondContact O-N 2.84Å; S133-Q160 WeakPolarHBondContact OG-CB 3.28Å; S133-Q160 WeakPolarHBondContact OG-CG 3.18Å; S133-Q160 PolarHBondContact OG-OE1 3.45Å; Q160-T171 HydrophobicContact CG-CG2 4.47Å
161T82.6Confident75.1Confident23 Ų2365.6 Ų65.614%0.14138%0.379CS..EExtended strand (participates in β ladder)trans-115.4143.7178.561.40000110.1R130 L131 G163 S169 D170R130-T161 CarbonylContact O-C 3.57Å; R130-T161 VanDerWaalsContact O-CA 3.28Å; R130-T161 WeakPolarHBondContact O-CA 3.4Å; L131-T161 HydrophobicContact CD1-CG2 3.96Å; T161-G163 PolarHBondContact O-N 3.34Å; T161-S169 WeakPolarHBondContact O-CA 3.31Å; T161-D170 PolarHBondContact N-O 3.41Å; T161-D170 PolarHBondContact O-N 3.21Å; T161-D170 PolarHBondContact OG1-O 3.44Å
162Q75.6Confident76.1Confident107 Ų10765.2 Ų65.250%0.538%0.38SS..EExtended strand (participates in β ladder)trans-68123.7173.2-164.7172.624.400108.7R130R130-Q162 HydrophobicContact CB-CB 4.4Å; R130-Q162 PolarHBondContact O-N 3.29Å
163G62.8Low76.8Confident14 Ų1463.5 Ų63.514%0.14438%0.378CS..  trans-73.1169.1178.200000112.1T161 E165 S168T161-G163 PolarHBondContact O-N 3.34Å; G163-E165 PolarHBondContact O-N 3.34Å; G163-S168 WeakPolarHBondContact CA-O 3.48Å; G163-S168 VanDerWaalsContact CA-OG 3.3Å; G163-S168 WeakPolarHBondContact CA-OG 3.47Å; G163-S168 PolarHBondContact N-O 3.02Å
164T57.6Low77.3Confident81 Ų8163.8 Ų63.850%0.49738%0.378SS..SBendtrans-66.9-20.9-177.5-53.90000112.3R127R127-T164 PolarHBondContact NE-O 3.18Å; R127-T164 PolarHBondContact NH1-O 3.4Å
165E60.1Low77.5Confident144 Ų14464.4 Ų64.467%0.67339%0.387SS*.SBendtrans-103.3140.9176.8-60.5-170.7128.300111.6G163 G167 S168G163-E165 PolarHBondContact O-N 3.34Å; E165-G167 PolarHBondContact O-N 2.89Å; E165-S168 PolarHBondContact N-OG 2.94Å; E165-S168 PolarHBondContact O-N 2.62Å; E165-S168 PolarHBondContact O-OG 2.99Å
166P55.9Low77.6Confident120 Ų12065 Ų6578%0.77939%0.39SS*.THydrogen-bonded Turntrans-59.6110.1176.924.6-31.8000110.2
167G61.5Low77.6Confident81 Ų8164.7 Ų64.784%0.83539%0.393SS*.THydrogen-bonded Turntrans106.9-9.1-179.200000115.5E165E165-G167 PolarHBondContact O-N 2.89Å
168S63.7Low77.4Confident44 Ų4465.9 Ų65.931%0.30840%0.402SS..  trans-84.1128.9172.363.30000110.3G163 E165G163-S168 WeakPolarHBondContact CA-O 3.48Å; G163-S168 VanDerWaalsContact CA-OG 3.3Å; G163-S168 WeakPolarHBondContact CA-OG 3.47Å; G163-S168 PolarHBondContact N-O 3.02Å; E165-S168 PolarHBondContact N-OG 2.94Å; E165-S168 PolarHBondContact O-N 2.62Å; E165-S168 PolarHBondContact O-OG 2.99Å
169S72.6Confident77.3Confident81 Ų8167.7 Ų67.757%0.56642%0.415SS*.EExtended strand (participates in β ladder)trans-117128.4169.9570000109.4T161T161-S169 WeakPolarHBondContact O-CA 3.31Å
170D79.1Confident77.3Confident65 Ų6572.1 Ų72.135%0.34843%0.432SS..EExtended strand (participates in β ladder)trans-101.6125.9177.8-169.4-0000108.5R129 T161R129-D170 IonicContact CZ-OD2 2.7Å; R129-D170 IonicContact NH1-OD2 2.59Å; R129-D170 PolarHBondContact NH1-OD2 2.99Å; T161-D170 PolarHBondContact N-O 3.41Å; T161-D170 PolarHBondContact O-N 3.21Å; T161-D170 PolarHBondContact OG1-O 3.44Å
171T84.4Confident77.3Confident57 Ų5773.3 Ų73.335%0.3544%0.437SS..EExtended strand (participates in β ladder)trans-111.5112.3-175.7-64.90000109.3K158 L159 Q160 V173K158-T171 HydrophobicContact CD-CG2 4.09Å; K158-T171 HydrophobicContact CG-CG2 3.66Å; L159-T171 WeakPolarHBondContact O-CA 3.5Å; Q160-T171 HydrophobicContact CG-CG2 4.47Å; T171-V173 HydrophobicContact CG2-CG2 4.33Å
172T84.6Confident77.6Confident63 Ų6380.7 Ų80.739%0.38746%0.462SS..EExtended strand (participates in β ladder)trans-100.7127.4173.1-54.40000109.8K158 L159 V174K158-T172 WeakPolarHBondContact CA-O 3.18Å; L159-T172 PolarHBondContact N-O 3.32Å; L159-T172 PolarHBondContact O-N 2.87Å; T172-V174 HydrophobicContact CG2-CG2 3.99Å
173V86.9Confident78.4Confident91 Ų9179.8 Ų79.855%0.55246%0.464SS*.EExtended strand (participates in β ladder)trans-109.3126.6174-176.60000108.8L157 K158 T171L157-V173 CarbonylContact O-C 3.39Å; L157-V173 WeakPolarHBondContact O-CA 3.36Å; K158-V173 HydrophobicContact CB-CG2 4.39Å; K158-V173 HydrophobicContact CG-CG2 4.15Å; T171-V173 HydrophobicContact CG2-CG2 4.33Å
174V88.2Confident79.7Confident56 Ų5682.3 Ų82.334%0.33947%0.473SS..EExtended strand (participates in β ladder)trans-124.7131.7-179.5-170.60000108.9H156 L157 T172 I176H156-V174 WeakPolarHBondContact CA-O 3.49Å; L157-V174 PolarHBondContact N-O 3.23Å; L157-V174 PolarHBondContact O-N 3.03Å; T172-V174 HydrophobicContact CG2-CG2 3.99Å; V174-I176 HydrophobicContact CB-CG1 4.4Å; V174-I176 HydrophobicContact CG1-CD1 3.91Å; V174-I176 HydrophobicContact CG1-CG1 3.64Å
175S87.6Confident81.2Confident71 Ų7182.4 Ų82.450%0.49747%0.47SS..EExtended strand (participates in β ladder)trans-103124.5174-53.60000109.1V155 H156V155-S175 CarbonylContact O-C 3.47Å; V155-S175 WeakPolarHBondContact O-CA 3.46Å; H156-S175 PolarHBondContact CE1-OG 3.45Å; H156-S175 PolarHBondContact ND1-OG 3.23Å
176I87.3Confident82.8Confident24 Ų2479.5 Ų79.512%0.12346%0.462CS..EExtended strand (participates in β ladder)trans-131.3138-170.7-49.6-172.5000109.3V155 L157 V174 K180 F181 L184V155-I176 WeakPolarHBondContact CB-O 3.21Å; V155-I176 PolarHBondContact N-O 3.37Å; V155-I176 PolarHBondContact O-N 3.38Å; L157-I176 HydrophobicContact CD1-CD1 3.58Å; L157-I176 HydrophobicContact CD1-CG1 4.49Å; V174-I176 HydrophobicContact CB-CG1 4.4Å; V174-I176 HydrophobicContact CG1-CD1 3.91Å; V174-I176 HydrophobicContact CG1-CG1 3.64Å; I176-K180 HydrophobicContact CG2-CB 3.44Å; I176-K180 VanDerWaalsContact CG2-CB 3.44Å; I176-F181 HydrophobicContact CG2-CB 4.13Å; I176-L184 HydrophobicContact CD1-CD2 3.95Å
177S88.1Confident84.6Confident40 Ų4078.9 Ų78.928%0.2845%0.449SS..  trans-73160.1171.768.40000111.4D179 K180 F181S177-D179 VanDerWaalsContact C-N 3.3Å; S177-D179 PolarHBondContact O-N 3.46Å; S177-K180 PolarHBondContact O-N 3.06Å; S177-K180 WeakPolarHBondContact OG-CG 3.44Å; S177-F181 WeakPolarHBondContact O-CB 3.38Å; S177-F181 PolarHBondContact O-N 2.92Å
178P84.1Confident86Confident42 Ų4280 Ų8027%0.27344%0.436SS..Hα-helixtrans-59.4-39.9-177.3-22.233.6000112.8P153 F181 R182P153-P178 HydrophobicContact CB-CG 4.1Å; P153-P178 HydrophobicContact CG-CG 3.72Å; P153-P178 WeakPolarHBondContact O-CD 3.3Å; P153-P178 VanDerWaalsContact O-CG 3.28Å; P153-P178 WeakPolarHBondContact O-CG 3.5Å; P178-F181 PolarHBondContact O-N 3.27Å; P178-R182 WeakPolarHBondContact O-CG 3.42Å; P178-R182 PolarHBondContact O-N 3.07Å; P178-R182 VanDerWaalsContact O-N 3.08Å
179D86.9Confident87.4Confident116 Ų11684.1 Ų84.162%0.6245%0.448SS*.Hα-helixtrans-66-44.8178.6-58.4-68.7000112S177 F181 R182 V183S177-D179 VanDerWaalsContact C-N 3.3Å; S177-D179 PolarHBondContact O-N 3.46Å; D179-F181 VanDerWaalsContact C-N 3.28Å; D179-F181 PolarHBondContact O-N 2.93Å; D179-R182 WeakPolarHBondContact O-CB 3.05Å; D179-R182 PolarHBondContact O-N 2.86Å; D179-V183 PolarHBondContact O-N 3.27Å; D179-V183 VanDerWaalsContact O-N 3.16Å
180K87.2Confident88.3Confident146 Ų14684.9 Ų84.964%0.63544%0.442SS*.Hα-helixtrans-65.4-34.1176.5-72.2-178.3-178.2179.30111.7I176 S177 V183 L184I176-K180 HydrophobicContact CG2-CB 3.44Å; I176-K180 VanDerWaalsContact CG2-CB 3.44Å; S177-K180 PolarHBondContact O-N 3.06Å; S177-K180 WeakPolarHBondContact OG-CG 3.44Å; K180-V183 PolarHBondContact O-N 3.21Å; K180-L184 WeakPolarHBondContact O-CB 3.28Å; K180-L184 PolarHBondContact O-N 3.41Å
181F87.4Confident88.9Confident74 Ų7483.8 Ų83.833%0.32544%0.443SS..Hα-helixtrans-66-37.5175.6-174.9-104.9000112V155 L157 I176 S177 P178 D179 L184 L185V155-F181 HydrophobicContact CG1-CD2 4.21Å; V155-F181 HydrophobicContact CG1-CE2 4.37Å; L157-F181 HydrophobicContact CD1-CD2 4.17Å; L157-F181 HydrophobicContact CD1-CE2 4Å; L157-F181 HydrophobicContact CD2-CE2 4.13Å; L157-F181 HydrophobicContact CG-CE2 4.48Å; I176-F181 HydrophobicContact CG2-CB 4.13Å; S177-F181 WeakPolarHBondContact O-CB 3.38Å; S177-F181 PolarHBondContact O-N 2.92Å; P178-F181 PolarHBondContact O-N 3.27Å; D179-F181 VanDerWaalsContact C-N 3.28Å; D179-F181 PolarHBondContact O-N 2.93Å; F181-L184 PolarHBondContact O-N 3.46Å; F181-L185 PolarHBondContact O-N 3.19Å
182R88Confident89.1Confident177 Ų17786.4 Ų86.467%0.66845%0.451SS*.Hα-helixtrans-64.4-41.1173.7-72.3178.2174.3-169.4-0.7112.6P178 D179 L185 T186P178-R182 WeakPolarHBondContact O-CG 3.42Å; P178-R182 PolarHBondContact O-N 3.07Å; P178-R182 VanDerWaalsContact O-N 3.08Å; D179-R182 WeakPolarHBondContact O-CB 3.05Å; D179-R182 PolarHBondContact O-N 2.86Å; R182-L185 PolarHBondContact O-N 2.91Å; R182-T186 PolarHBondContact O-N 3.25Å; R182-T186 VanDerWaalsContact O-N 3.14Å; R182-T186 PolarHBondContact O-OG1 3.02Å
183V92.8Very high89.5Confident89 Ų8986.3 Ų86.354%0.53946%0.456SS..Hα-helixtrans-62.2-49.3174.5176.40000110D179 K180 L185 T186 E187D179-V183 PolarHBondContact O-N 3.27Å; D179-V183 VanDerWaalsContact O-N 3.16Å; K180-V183 PolarHBondContact O-N 3.21Å; V183-L185 VanDerWaalsContact C-N 3.3Å; V183-L185 PolarHBondContact O-N 3.43Å; V183-T186 WeakPolarHBondContact O-CB 3.4Å; V183-T186 PolarHBondContact O-N 3.25Å; V183-E187 HydrophobicContact CG1-CG 4.41Å; V183-E187 PolarHBondContact O-N 3.03Å
184L89.5Confident89.7Confident67 Ų6787.1 Ų87.135%0.35146%0.455SS..Hα-helixtrans-54.9-44.4177.4-17966.9000112.3L157 I176 K180 F181 T186 E187 L188L157-L184 HydrophobicContact CD1-CD2 4.11Å; I176-L184 HydrophobicContact CD1-CD2 3.95Å; K180-L184 WeakPolarHBondContact O-CB 3.28Å; K180-L184 PolarHBondContact O-N 3.41Å; F181-L184 PolarHBondContact O-N 3.46Å; L184-T186 VanDerWaalsContact C-N 3.29Å; L184-T186 PolarHBondContact O-N 3.23Å; L184-E187 PolarHBondContact O-N 3.09Å; L184-L188 HydrophobicContact CD1-CD1 4.27Å; L184-L188 HydrophobicContact CD1-CG 4.4Å; L184-L188 HydrophobicContact CG-CD1 4.02Å; L184-L188 WeakPolarHBondContact O-CB 3.42Å; L184-L188 VanDerWaalsContact O-CG 3.26Å; L184-L188 WeakPolarHBondContact O-CG 3.48Å; L184-L188 PolarHBondContact O-N 3.04Å
185L89.8Confident89.6Confident82 Ų8290.1 Ų90.143%0.42947%0.467SS..Hα-helixtrans-61-39.4177.2-173.579.1000112.2F181 R182 V183 K189F181-L185 PolarHBondContact O-N 3.19Å; R182-L185 PolarHBondContact O-N 2.91Å; V183-L185 VanDerWaalsContact C-N 3.3Å; V183-L185 PolarHBondContact O-N 3.43Å; L185-K189 WeakPolarHBondContact O-CG 3.33Å; L185-K189 PolarHBondContact O-N 3.08Å; L185-K189 VanDerWaalsContact O-N 3.1Å
186T92.9Very high89.5Confident83 Ų8391 Ų9151%0.50947%0.466SS..Hα-helixtrans-68.7-46.4-177.5-53.20000110.6R182 V183 L184 L188 K189 Q190R182-T186 PolarHBondContact O-N 3.25Å; R182-T186 VanDerWaalsContact O-N 3.14Å; R182-T186 PolarHBondContact O-OG1 3.02Å; V183-T186 WeakPolarHBondContact O-CB 3.4Å; V183-T186 PolarHBondContact O-N 3.25Å; L184-T186 VanDerWaalsContact C-N 3.29Å; L184-T186 PolarHBondContact O-N 3.23Å; T186-L188 PolarHBondContact O-N 3.38Å; T186-K189 PolarHBondContact O-N 3.19Å; T186-Q190 PolarHBondContact O-N 3.32Å
187E93.9Very high89.4Confident108 Ų10893.8 Ų93.851%0.50549%0.493SS..Hα-helixtrans-62-42.4176.1-65.7-59.6138.300112V183 L184 K189 Q190 A191V183-E187 HydrophobicContact CG1-CG 4.41Å; V183-E187 PolarHBondContact O-N 3.03Å; L184-E187 PolarHBondContact O-N 3.09Å; E187-K189 VanDerWaalsContact C-N 3.33Å; E187-K189 PolarHBondContact O-N 3.41Å; E187-Q190 PolarHBondContact O-N 3.43Å; E187-A191 PolarHBondContact O-N 3.39Å
188L90.8Very high88.6Confident105 Ų10599.3 Ų99.355%0.5552%0.518SS..Hα-helixtrans-63.3-38.1177.2-73.3172.9000112.4L184 T186 Q192L184-L188 HydrophobicContact CD1-CD1 4.27Å; L184-L188 HydrophobicContact CD1-CG 4.4Å; L184-L188 HydrophobicContact CG-CD1 4.02Å; L184-L188 WeakPolarHBondContact O-CB 3.42Å; L184-L188 VanDerWaalsContact O-CG 3.26Å; L184-L188 WeakPolarHBondContact O-CG 3.48Å; L184-L188 PolarHBondContact O-N 3.04Å; T186-L188 PolarHBondContact O-N 3.38Å; L188-Q192 WeakPolarHBondContact O-CB 3.36Å; L188-Q192 PolarHBondContact O-N 2.95Å
189K92.9Very high86.9Confident130 Ų130107.7 Ų107.757%0.56555%0.554SS**Hα-helixtrans-66.4-39.4174.1-76.8179.3176.8-176.40112.1L185 T186 E187 Q192 A193L185-K189 WeakPolarHBondContact O-CG 3.33Å; L185-K189 PolarHBondContact O-N 3.08Å; L185-K189 VanDerWaalsContact O-N 3.1Å; T186-K189 PolarHBondContact O-N 3.19Å; E187-K189 VanDerWaalsContact C-N 3.33Å; E187-K189 PolarHBondContact O-N 3.41Å; K189-Q192 WeakPolarHBondContact O-CB 3.37Å; K189-Q192 PolarHBondContact O-N 2.9Å; K189-A193 PolarHBondContact O-N 3.37Å
190Q93.3Very high86.9Confident96 Ų96107.3 Ų107.345%0.44955%0.551SS.*Hα-helixtrans-65.1-44.6176.6-177.1172.4-7.300111.3T186 E187 Q192 A193 M194T186-Q190 PolarHBondContact O-N 3.32Å; E187-Q190 PolarHBondContact O-N 3.43Å; Q190-Q192 VanDerWaalsContact C-N 3.31Å; Q190-Q192 PolarHBondContact O-N 3.1Å; Q190-A193 PolarHBondContact O-N 3.08Å; Q190-M194 HydrophobicContact CG-CE 3.93Å; Q190-M194 WeakPolarHBondContact O-CG 3.49Å; Q190-M194 PolarHBondContact O-N 3.04Å
191A90.1Very high86.9Confident43 Ų43105.2 Ų105.236%0.35555%0.546SS..Hα-helixtrans-59.6-41.4173.900000111.8E187 A193 M194 M195E187-A191 PolarHBondContact O-N 3.39Å; A191-A193 PolarHBondContact O-N 3.18Å; A191-M194 PolarHBondContact O-N 2.98Å; A191-M195 WeakPolarHBondContact O-CG 3.5Å; A191-M195 PolarHBondContact O-N 3.17Å
192Q89.8Confident86.8Confident112 Ų112106.9 Ų106.952%0.52356%0.558SS.*Hα-helixtrans-60.9-43.8174.7-173.1-178.422.800112.1L188 K189 Q190 M194 M195 N196L188-Q192 WeakPolarHBondContact O-CB 3.36Å; L188-Q192 PolarHBondContact O-N 2.95Å; K189-Q192 WeakPolarHBondContact O-CB 3.37Å; K189-Q192 PolarHBondContact O-N 2.9Å; Q190-Q192 VanDerWaalsContact C-N 3.31Å; Q190-Q192 PolarHBondContact O-N 3.1Å; Q192-M194 PolarHBondContact O-N 3.25Å; Q192-M195 PolarHBondContact O-N 2.57Å; Q192-N196 VanDerWaalsContact O-CG 3.29Å; Q192-N196 PolarHBondContact O-N 3Å
193A92.6Very high86.8Confident60 Ų60102.8 Ų102.850%0.49655%0.552SS.*Hα-helixtrans-63-41.2177.600000112.1K189 Q190 A191 N196 A197K189-A193 PolarHBondContact O-N 3.37Å; Q190-A193 PolarHBondContact O-N 3.08Å; A191-A193 PolarHBondContact O-N 3.18Å; A193-N196 PolarHBondContact O-N 3.09Å; A193-A197 WeakPolarHBondContact O-CB 3.25Å; A193-A197 PolarHBondContact O-N 3.2Å; A193-A197 VanDerWaalsContact O-N 3.11Å
194M90.7Very high86.4Confident108 Ų108103.7 Ų103.753%0.53255%0.553SS.*Hα-helixtrans-64.7-43175.7-69.2177.7178.200112.2Q190 A191 Q192 A197 L198Q190-M194 HydrophobicContact CG-CE 3.93Å; Q190-M194 WeakPolarHBondContact O-CG 3.49Å; Q190-M194 PolarHBondContact O-N 3.04Å; A191-M194 PolarHBondContact O-N 2.98Å; Q192-M194 PolarHBondContact O-N 3.25Å; M194-A197 PolarHBondContact O-N 2.8Å; M194-L198 WeakPolarHBondContact O-CG 3.37Å; M194-L198 PolarHBondContact O-N 2.69Å
195M85.8Confident86.2Confident119 Ų119106.1 Ų106.159%0.58657%0.566SS**Hα-helixtrans-62.9-42.2177.2-74.5-174-70.600112A191 Q192 A197 L198A191-M195 WeakPolarHBondContact O-CG 3.5Å; A191-M195 PolarHBondContact O-N 3.17Å; Q192-M195 PolarHBondContact O-N 2.57Å; M195-A197 VanDerWaalsContact C-N 3.29Å; M195-A197 PolarHBondContact O-N 3.45Å; M195-L198 PolarHBondContact O-N 2.72Å
196N86.4Confident85.9Confident90 Ų90107.9 Ų107.948%0.48158%0.576SS.*Hα-helixtrans-68.1-27.5177.8-70.3-10.6000113.1Q192 A193 L198Q192-N196 VanDerWaalsContact O-CG 3.29Å; Q192-N196 PolarHBondContact O-N 3Å; A193-N196 PolarHBondContact O-N 3.09Å; N196-L198 VanDerWaalsContact C-N 3.27Å
197A84.9Confident85.4Confident82 Ų82109.8 Ų109.868%0.67858%0.581SS**Hα-helixtrans-77.3-13.7177.300000113.5A193 M194 M195A193-A197 WeakPolarHBondContact O-CB 3.25Å; A193-A197 PolarHBondContact O-N 3.2Å; A193-A197 VanDerWaalsContact O-N 3.11Å; M194-A197 PolarHBondContact O-N 2.8Å; M195-A197 VanDerWaalsContact C-N 3.29Å; M195-A197 PolarHBondContact O-N 3.45Å
198L71.6Confident84.7Confident156 Ų156109.9 Ų109.982%0.81759%0.588SS**THydrogen-bonded Turntrans-95.4-8.1177.4-68.9166.2000113M194 M195 N196M194-L198 WeakPolarHBondContact O-CG 3.37Å; M194-L198 PolarHBondContact O-N 2.69Å; M195-L198 PolarHBondContact O-N 2.72Å; N196-L198 VanDerWaalsContact C-N 3.27Å
199Q47.2Very low84.1Confident218 Ų218110.4 Ų110.4100%1.01959%0.591SS**  trans-88.30171.3-74.8-171.1-72.100111.1

Retrieved 199 of 199 residues in 235.1 ms (Link to these results)

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