A0A077Z2F9_TRITR Loading...

Zf-BED domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z2F9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 188 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
1M36Very low58.8Low244 Ų244140.3 Ų140.3100%1.20274%0.744SS**  0116.90-69.8-175.4173.100108.2Q3M1-Q3 PolarHBondContact O-N 3.16Å
2A43.8Very low61.1Low107 Ų107131.8 Ų131.888%0.88471%0.705SS**  trans-67.6113.9178.700000109.4A4A2-A4 PolarHBondContact O-N 3.24Å
3Q45.2Very low63.1Low194 Ų194128.5 Ų128.591%0.90770%0.698SS**  trans-66.6108176.4-135.7163.723.900107.4M1 S5M1-Q3 PolarHBondContact O-N 3.16Å; Q3-S5 PolarHBondContact O-N 3.39Å
4A50.8Low65Low91 Ų91126.2 Ų126.275%0.75268%0.68SS**  trans-53119.1178.100000108.6A2 K6A2-A4 PolarHBondContact O-N 3.24Å; A4-K6 PolarHBondContact O-N 3.02Å; A4-K6 VanDerWaalsContact O-N 3.08Å
5S53.5Low66.7Low104 Ų104119.8 Ų119.873%0.72764%0.643SS**  trans-57.3122.6-176.677.20000108.6Q3 K7Q3-S5 PolarHBondContact O-N 3.39Å; S5-K7 PolarHBondContact O-N 3.29Å
6K57.4Low68.2Low186 Ų186113.4 Ų113.481%0.80961%0.608SS**  trans-62.1103.9174.2-81.3-179.4177.3174.40106.5A4 C8A4-K6 PolarHBondContact O-N 3.02Å; A4-K6 VanDerWaalsContact O-N 3.08Å; K6-C8 VanDerWaalsContact C-N 3.34Å; K6-C8 PolarHBondContact O-N 3.39Å
7K59.4Low69.6Low174 Ų174114.1 Ų114.176%0.75760%0.6SS**  trans-58.998.2174-78.7-173.6176.7-178.30108.6S5 R9S5-K7 PolarHBondContact O-N 3.29Å; K7-R9 PolarHBondContact O-N 3.17Å; K7-R9 VanDerWaalsContact O-N 3.14Å
8C63.6Low70.8Confident105 Ų105109.6 Ų109.671%0.70958%0.575SS**  trans-71.5103.4173-1620000107.4K6 N41K6-C8 VanDerWaalsContact C-N 3.34Å; K6-C8 PolarHBondContact O-N 3.39Å; C8-N41 PolarHBondContact SG-ND2 2.86Å
9R72.4Confident71.9Confident102 Ų102103.8 Ų103.839%0.38555%0.545SS..PPolyproline II helixtrans-76.6131.2175.5-68.8-180178.9-103.7-6.8108.3K7 N41 M44K7-R9 PolarHBondContact O-N 3.17Å; K7-R9 VanDerWaalsContact O-N 3.14Å; R9-N41 PolarHBondContact N-ND2 3.04Å; R9-N41 PolarHBondContact N-OD1 3.36Å; R9-N41 PolarHBondContact O-ND2 3.42Å; R9-M44 HydrophobicContact CB-CB 4.04Å; R9-M44 WeakPolarHBondContact CD-O 3.16Å; R9-M44 WeakPolarHBondContact O-CE 3.5Å
10Q80.3Confident73Confident170 Ų17098.7 Ų98.779%0.79452%0.518SS*.PPolyproline II helixtrans-76.4148.1168.4-70.3178.4-15.900109.7
11Y83.9Confident73.8Confident66 Ų6694 Ų9426%0.25949%0.493SS..PPolyproline II helixtrans-64.2135.6172174.3-92.7000110Y15 F20 V22Y11-Y15 AromaticContact CD2-CD2 3.76Å; Y11-Y15 HydrophobicContact CD2-CD2 3.76Å; Y11-Y15 HydrophobicContact CE2-CD2 4.01Å; Y11-Y15 HydrophobicContact CE2-CG 4.44Å; Y11-Y15 HydrophobicContact CG-CD2 4.39Å; Y11-F20 PolarHBondContact OH-O 3.1Å; Y11-V22 HydrophobicContact CD1-CG2 4.08Å; Y11-V22 HydrophobicContact CD2-CG2 3.64Å; Y11-V22 HydrophobicContact CE2-CG2 4.37Å; Y11-V22 HydrophobicContact CG-CB 4.42Å; Y11-V22 HydrophobicContact CG-CG2 3.48Å; Y11-V22 VanDerWaalsContact CG-CG2 3.48Å
12S87Confident76.3Confident39 Ų3984 Ų8427%0.27345%0.446SS..  trans-107.2136.3170.6176.50000109.2E14 Y15S12-E14 PolarHBondContact O-N 2.95Å; S12-E14 WeakPolarHBondContact OG-CB 3.39Å; S12-E14 PolarHBondContact OG-N 2.87Å; S12-Y15 VanDerWaalsContact N-CD2 3.31Å; S12-Y15 WeakPolarHBondContact O-CB 3.37Å; S12-Y15 WeakPolarHBondContact O-CD2 3.49Å; S12-Y15 PolarHBondContact O-N 2.92Å
13S86.4Confident78.1Confident88 Ų8879.1 Ų79.162%0.61541%0.405SS*.G310 helixtrans-53.1-26.9172.7520000112.4Y15 L16S13-Y15 PolarHBondContact O-N 3.44Å; S13-L16 WeakPolarHBondContact O-CB 3.42Å; S13-L16 PolarHBondContact O-N 3.44Å; S13-L16 VanDerWaalsContact O-N 3.15Å
14E89.8Confident79.4Confident97 Ų9774.8 Ų74.845%0.45339%0.393SS..G310 helixtrans-63.1-23.6176.4-64.9-57.4160.300113.8S12 L16 R17S12-E14 PolarHBondContact O-N 2.95Å; S12-E14 WeakPolarHBondContact OG-CB 3.39Å; S12-E14 PolarHBondContact OG-N 2.87Å; E14-L16 PolarHBondContact O-N 2.98Å; E14-L16 VanDerWaalsContact O-N 3.16Å; E14-R17 VanDerWaalsContact CD-NH2 3.33Å; E14-R17 WeakPolarHBondContact O-CB 3.46Å; E14-R17 WeakPolarHBondContact O-CG 3.48Å; E14-R17 PolarHBondContact O-N 2.72Å; E14-R17 VanDerWaalsContact O-N 3.14Å; E14-R17 PolarHBondContact O-NE 3.21Å; E14-R17 IonicContact OE2-CZ 3.36Å; E14-R17 IonicContact OE2-NE 3.42Å; E14-R17 PolarHBondContact OE2-NE 3.13Å; E14-R17 IonicContact OE2-NH2 3.58Å; E14-R17 PolarHBondContact OE2-NH2 2.86Å
15Y91Very high80.4Confident30 Ų3073.7 Ų73.712%0.11839%0.391CS..G310 helixtrans-67.6-13.5177.6-56-26.6000113Y11 S12 S13 R17 F18 F20 M44 P46 M49Y11-Y15 AromaticContact CD2-CD2 3.76Å; Y11-Y15 HydrophobicContact CD2-CD2 3.76Å; Y11-Y15 HydrophobicContact CE2-CD2 4.01Å; Y11-Y15 HydrophobicContact CE2-CG 4.44Å; Y11-Y15 HydrophobicContact CG-CD2 4.39Å; S12-Y15 VanDerWaalsContact N-CD2 3.31Å; S12-Y15 WeakPolarHBondContact O-CB 3.37Å; S12-Y15 WeakPolarHBondContact O-CD2 3.49Å; S12-Y15 PolarHBondContact O-N 2.92Å; S13-Y15 PolarHBondContact O-N 3.44Å; Y15-R17 PolarHBondContact O-N 3.08Å; Y15-F18 HydrophobicContact CD1-CD2 4.42Å; Y15-F18 HydrophobicContact CD1-CE2 4.42Å; Y15-F18 PolarHBondContact O-N 2.89Å; Y15-F20 CarbonylContact C-O 3Å; Y15-F20 PolarHBondContact O-N 2.86Å; Y15-M44 HydrophobicContact CE2-CB 4.36Å; Y15-P46 HydrophobicContact CE1-CG 3.89Å; Y15-M49 HydrophobicContact CD1-SD 4.18Å; Y15-M49 HydrophobicContact CD2-CE 4.03Å; Y15-M49 HydrophobicContact CD2-SD 4.21Å; Y15-M49 HydrophobicContact CG-CE 4.22Å; Y15-M49 HydrophobicContact CG-SD 3.87Å
16L91.4Very high81.1Confident17 Ų1769.3 Ų69.39%0.08936%0.36CS..G310 helixtrans-58.8-31171.2-170.163.3000112.2S13 E14 F18 G19 F20 L33 V65 Y68 R69S13-L16 WeakPolarHBondContact O-CB 3.42Å; S13-L16 PolarHBondContact O-N 3.44Å; S13-L16 VanDerWaalsContact O-N 3.15Å; E14-L16 PolarHBondContact O-N 2.98Å; E14-L16 VanDerWaalsContact O-N 3.16Å; L16-F18 PolarHBondContact O-N 3.36Å; L16-F18 VanDerWaalsContact O-N 3.15Å; L16-G19 PolarHBondContact O-N 3.4Å; L16-F20 VanDerWaalsContact CA-O 3.29Å; L16-F20 WeakPolarHBondContact CA-O 3.26Å; L16-F20 PolarHBondContact N-O 3.49Å; L16-L33 HydrophobicContact CD1-CD1 3.72Å; L16-V65 HydrophobicContact CD2-CG1 4.14Å; L16-V65 HydrophobicContact CG-CG1 4.31Å; L16-Y68 WeakPolarHBondContact O-CB 3.21Å; L16-Y68 WeakPolarHBondContact O-CD2 3.32Å; L16-R69 HydrophobicContact CD2-CB 4.43Å; L16-R69 HydrophobicContact CD2-CG 3.42Å; L16-R69 VanDerWaalsContact CD2-CG 3.42Å
17R91Very high81.9Confident126 Ų12667 Ų6748%0.47535%0.352SS..G310 helixtrans-63.2-19.5175.285.3179.473.1-179.54.4113.4E14 Y15 V65E14-R17 VanDerWaalsContact CD-NH2 3.33Å; E14-R17 WeakPolarHBondContact O-CB 3.46Å; E14-R17 WeakPolarHBondContact O-CG 3.48Å; E14-R17 PolarHBondContact O-N 2.72Å; E14-R17 VanDerWaalsContact O-N 3.14Å; E14-R17 PolarHBondContact O-NE 3.21Å; E14-R17 IonicContact OE2-CZ 3.36Å; E14-R17 IonicContact OE2-NE 3.42Å; E14-R17 PolarHBondContact OE2-NE 3.13Å; E14-R17 IonicContact OE2-NH2 3.58Å; E14-R17 PolarHBondContact OE2-NH2 2.86Å; Y15-R17 PolarHBondContact O-N 3.08Å; R17-V65 HydrophobicContact CB-CG2 3.71Å
18F91.2Very high82.9Confident33 Ų3365.9 Ų65.915%0.14535%0.35CS..G310 helixtrans-98.87.1175.1-51.5-58000112.5Y15 L16 F20 P46 M49 K50Y15-F18 HydrophobicContact CD1-CD2 4.42Å; Y15-F18 HydrophobicContact CD1-CE2 4.42Å; Y15-F18 PolarHBondContact O-N 2.89Å; L16-F18 PolarHBondContact O-N 3.36Å; L16-F18 VanDerWaalsContact O-N 3.15Å; F18-F20 HydrophobicContact CB-CD2 4.02Å; F18-F20 VanDerWaalsContact O-CD2 3.25Å; F18-F20 WeakPolarHBondContact O-CD2 3.48Å; F18-P46 HydrophobicContact CE2-CB 3.9Å; F18-P46 HydrophobicContact CZ-CB 4.22Å; F18-M49 HydrophobicContact CB-CB 4.09Å; F18-M49 HydrophobicContact CD2-CB 4.4Å; F18-M49 HydrophobicContact CG-CB 4.4Å; F18-K50 HydrophobicContact CD1-CB 4.23Å; F18-K50 HydrophobicContact CD1-CG 4.5Å; F18-K50 HydrophobicContact CE1-CB 4.36Å; F18-K50 HydrophobicContact CE1-CD 4.4Å; F18-K50 HydrophobicContact CE1-CG 4.49Å
19G91.9Very high83.9Confident0 Ų063.3 Ų63.30%033%0.328CS..THydrogen-bonded Turntrans75.425.3-177.200000114.6L16 L33 Y68L16-G19 PolarHBondContact O-N 3.4Å; G19-L33 WeakPolarHBondContact O-CB 3.23Å; G19-L33 PolarHBondContact O-N 3.02Å; G19-Y68 VanDerWaalsContact CA-CE1 3.41Å
20F93.4Very high84.8Confident1 Ų158.5 Ų58.50%0.00431%0.31CS..EExtended strand (participates in β ladder)trans-110.2143.5176.9-74.3-97.5000111.8Y11 Y15 L16 F18 P30 V31 C32 F39 M49 H52Y11-F20 PolarHBondContact OH-O 3.1Å; Y15-F20 CarbonylContact C-O 3Å; Y15-F20 PolarHBondContact O-N 2.86Å; L16-F20 VanDerWaalsContact CA-O 3.29Å; L16-F20 WeakPolarHBondContact CA-O 3.26Å; L16-F20 PolarHBondContact N-O 3.49Å; F18-F20 HydrophobicContact CB-CD2 4.02Å; F18-F20 VanDerWaalsContact O-CD2 3.25Å; F18-F20 WeakPolarHBondContact O-CD2 3.48Å; F20-P30 HydrophobicContact CD1-CB 4.1Å; F20-V31 VanDerWaalsContact CA-O 3.26Å; F20-V31 WeakPolarHBondContact CA-O 3.4Å; F20-C32 HydrophobicContact CD1-CB 4.32Å; F20-C32 HydrophobicContact CE1-CB 3.89Å; F20-C32 HydrophobicContact CZ-CB 4.1Å; F20-F39 AromaticContact CE1-CD2 3.63Å; F20-F39 HydrophobicContact CE1-CD2 3.63Å; F20-F39 AromaticContact CE1-CE2 3.66Å; F20-F39 HydrophobicContact CE1-CE2 3.66Å; F20-F39 HydrophobicContact CE1-CG 4.25Å; F20-F39 HydrophobicContact CE1-CZ 4.3Å; F20-F39 HydrophobicContact CZ-CD2 4.47Å; F20-F39 HydrophobicContact CZ-CE2 4.14Å; F20-F39 HydrophobicContact CZ-CZ 4.39Å; F20-M49 HydrophobicContact CB-CE 4.06Å; F20-M49 HydrophobicContact CB-SD 4.44Å; F20-M49 HydrophobicContact CD1-CE 4.05Å; F20-M49 HydrophobicContact CD1-CG 4.35Å; F20-M49 HydrophobicContact CD2-CB 3.82Å; F20-M49 HydrophobicContact CD2-CG 3.79Å; F20-M49 HydrophobicContact CD2-SD 4.27Å; F20-M49 HydrophobicContact CE1-CG 4.29Å; F20-M49 HydrophobicContact CE2-CB 3.6Å; F20-M49 HydrophobicContact CE2-CG 3.76Å; F20-M49 HydrophobicContact CG-CE 3.97Å; F20-M49 HydrophobicContact CG-CG 4.1Å; F20-M49 HydrophobicContact CG-SD 4.24Å; F20-M49 HydrophobicContact CZ-CB 4.2Å; F20-M49 HydrophobicContact CZ-CG 4Å; F20-H52 AromaticContact CE2-CD2 3.96Å; F20-H52 HydrophobicContact CZ-CB 4.23Å; F20-H52 AromaticContact CZ-CD2 3.47Å; F20-H52 VanDerWaalsContact CZ-CD2 3.47Å; F20-H52 WeakPolarHBondContact CZ-CD2 3.38Å
21A91.4Very high85.3Confident0 Ų050.4 Ų50.40%027%0.272CS..EExtended strand (participates in β ladder)trans-146.4159.1171.600000111.4V31 L33 R72A21-V31 PolarHBondContact N-O 3.08Å; A21-V31 PolarHBondContact O-N 3.13Å; A21-L33 HydrophobicContact CB-CD1 4.15Å; A21-L33 HydrophobicContact CB-CD2 3.95Å; A21-L33 HydrophobicContact CB-CG 4.18Å; A21-R72 HydrophobicContact CB-CG 4.22Å
22V88.2Confident85.7Confident35 Ų3547.2 Ų47.221%0.21226%0.26CS..EExtended strand (participates in β ladder)trans-86.1134.5163.21690000109Y11 Q28 M76Y11-V22 HydrophobicContact CD1-CG2 4.08Å; Y11-V22 HydrophobicContact CD2-CG2 3.64Å; Y11-V22 HydrophobicContact CE2-CG2 4.37Å; Y11-V22 HydrophobicContact CG-CB 4.42Å; Y11-V22 HydrophobicContact CG-CG2 3.48Å; Y11-V22 VanDerWaalsContact CG-CG2 3.48Å; V22-Q28 HydrophobicContact CG1-CB 4.35Å; V22-Q28 VanDerWaalsContact CG2-O 3.31Å; V22-Q28 WeakPolarHBondContact CG2-O 3.19Å; V22-M76 WeakPolarHBondContact O-CE 3.4Å
23I80.5Confident85.9Confident4 Ų445.6 Ų45.62%0.02125%0.248CC..  trans-120.4144-177.5-54.3-176.6000109.1G25 T26 V31 L33 V75 M76I23-G25 PolarHBondContact O-N 3.22Å; I23-T26 HydrophobicContact CB-CG2 4.35Å; I23-T26 PolarHBondContact O-N 3.42Å; I23-T26 PolarHBondContact O-OG1 3.47Å; I23-V31 HydrophobicContact CB-CG2 4.43Å; I23-V31 HydrophobicContact CD1-CB 3.85Å; I23-V31 HydrophobicContact CD1-CG1 3.86Å; I23-V31 HydrophobicContact CD1-CG2 4.08Å; I23-V31 HydrophobicContact CG1-CB 4.19Å; I23-V31 HydrophobicContact CG1-CG2 4.11Å; I23-L33 HydrophobicContact CD1-CD2 4.27Å; I23-V75 HydrophobicContact CD1-CG1 3.7Å; I23-M76 HydrophobicContact CB-CE 4.11Å; I23-M76 HydrophobicContact CB-SD 4.44Å; I23-M76 HydrophobicContact CG1-CE 3.79Å; I23-M76 HydrophobicContact CG2-CE 4.11Å; I23-M76 HydrophobicContact CG2-SD 3.79Å
24P73.8Confident86.2Confident102 Ų10243.4 Ų43.466%0.66223%0.229SC*.THydrogen-bonded Turntrans-52.1135.7171.9-26.735.6000111.8M76P24-M76 VanDerWaalsContact CD-SD 3.5Å; P24-M76 HydrophobicContact CG-SD 4.4Å
25G70.1Confident86.2Confident68 Ų6841.4 Ų41.470%0.70123%0.226SC*.THydrogen-bonded Turntrans83.511.2-177.800000115.9I23I23-G25 PolarHBondContact O-N 3.22Å
26T68.6Low86Confident12 Ų1243.1 Ų43.17%0.07424%0.235CC..SBendtrans-113.520.3174.3690000114.3I23 Q28 L29 V31 V38I23-T26 HydrophobicContact CB-CG2 4.35Å; I23-T26 PolarHBondContact O-N 3.42Å; I23-T26 PolarHBondContact O-OG1 3.47Å; T26-Q28 PolarHBondContact O-N 2.84Å; T26-Q28 VanDerWaalsContact O-N 3.09Å; T26-L29 WeakPolarHBondContact O-CB 3.32Å; T26-L29 WeakPolarHBondContact O-CG 3.28Å; T26-L29 PolarHBondContact O-N 3.14Å; T26-L29 PolarHBondContact OG1-O 3.38Å; T26-L29 VanDerWaalsContact OG1-O 3.14Å; T26-V31 HydrophobicContact CG2-CG2 3.8Å; T26-V38 HydrophobicContact CG2-CG2 4.2Å
27E75.7Confident85.8Confident137 Ų13749.7 Ų49.764%0.6426%0.258SS*.THydrogen-bonded Turntrans50.738178.1-54.3-169.9179.500113.8L29 K153E27-L29 PolarHBondContact O-N 3.36Å; E27-L29 VanDerWaalsContact O-N 3.15Å; E27-K153 IonicContact OE1-NZ 3.24Å; E27-K153 PolarHBondContact OE1-NZ 2.87Å; E27-K153 IonicContact OE2-NZ 3.95Å
28Q78.9Confident85.6Confident152 Ų15246.9 Ų46.971%0.7126%0.255SS*.THydrogen-bonded Turntrans63.313.8-176.1-50.2-175.2300115.8V22 T26V22-Q28 HydrophobicContact CG1-CB 4.35Å; V22-Q28 VanDerWaalsContact CG2-O 3.31Å; V22-Q28 WeakPolarHBondContact CG2-O 3.19Å; T26-Q28 PolarHBondContact O-N 2.84Å; T26-Q28 VanDerWaalsContact O-N 3.09Å
29L86.2Confident85.5Confident51 Ų5146.7 Ų46.727%0.26725%0.254SS..  trans-74.5143.1172.9-65.7178.8000111.7T26 E27 V38 F39 N41T26-L29 WeakPolarHBondContact O-CB 3.32Å; T26-L29 WeakPolarHBondContact O-CG 3.28Å; T26-L29 PolarHBondContact O-N 3.14Å; T26-L29 PolarHBondContact OG1-O 3.38Å; T26-L29 VanDerWaalsContact OG1-O 3.14Å; E27-L29 PolarHBondContact O-N 3.36Å; E27-L29 VanDerWaalsContact O-N 3.15Å; L29-V38 HydrophobicContact CB-CG1 3.78Å; L29-V38 HydrophobicContact CD1-CG1 3.96Å; L29-F39 WeakPolarHBondContact CB-O 3.44Å; L29-N41 HydrophobicContact CD2-CB 4.5Å
30P89.7Confident85.2Confident0 Ų049.6 Ų49.60%028%0.275CS..EExtended strand (participates in β ladder)trans-69134.3177.531.8-39.8000111.3F20 F39 M44 M49F20-P30 HydrophobicContact CD1-CB 4.1Å; P30-F39 WeakPolarHBondContact CD-O 3.48Å; P30-F39 HydrophobicContact CG-CB 4.2Å; P30-F39 PolarHBondContact O-N 3.4Å; P30-M44 HydrophobicContact CB-CG 4.1Å; P30-M44 HydrophobicContact CB-SD 4.48Å; P30-M44 HydrophobicContact CG-CG 3.5Å; P30-M44 HydrophobicContact CG-SD 4.15Å; P30-M49 HydrophobicContact CB-CE 3.69Å; P30-M49 HydrophobicContact CG-CE 4.14Å
31V91Very high84.6Confident0 Ų051.3 Ų51.30%028%0.284CS..EExtended strand (participates in β ladder)trans-114.8133.4175.2-174.10000108.9F20 A21 I23 T26 L33 R37 V38F20-V31 VanDerWaalsContact CA-O 3.26Å; F20-V31 WeakPolarHBondContact CA-O 3.4Å; A21-V31 PolarHBondContact N-O 3.08Å; A21-V31 PolarHBondContact O-N 3.13Å; I23-V31 HydrophobicContact CB-CG2 4.43Å; I23-V31 HydrophobicContact CD1-CB 3.85Å; I23-V31 HydrophobicContact CD1-CG1 3.86Å; I23-V31 HydrophobicContact CD1-CG2 4.08Å; I23-V31 HydrophobicContact CG1-CB 4.19Å; I23-V31 HydrophobicContact CG1-CG2 4.11Å; T26-V31 HydrophobicContact CG2-CG2 3.8Å; V31-L33 PolarHBondContact O-N 3.31Å; V31-R37 WeakPolarHBondContact CA-O 3.46Å; V31-V38 HydrophobicContact CG2-CG2 4.11Å
32C92.6Very high84Confident0 Ų056.7 Ų56.70%031%0.309CS..EExtended strand (participates in β ladder)trans-72.5121167.41780000109.2F20 L34 C35 E36 R37 F39 H52F20-C32 HydrophobicContact CD1-CB 4.32Å; F20-C32 HydrophobicContact CE1-CB 3.89Å; F20-C32 HydrophobicContact CZ-CB 4.1Å; C32-L34 PolarHBondContact O-N 3.38Å; C32-C35 VanDerWaalsContact SG-SG 3.62Å; C32-E36 WeakPolarHBondContact O-CA 3.48Å; C32-E36 PolarHBondContact O-N 2.91Å; C32-R37 PolarHBondContact N-O 3.14Å; C32-F39 HydrophobicContact CB-CE2 3.88Å; C32-H52 PolarHBondContact SG-NE2 2.99Å; C32-H52 VanDerWaalsContact SG-NE2 3.42Å
33L91.7Very high83.4Confident4 Ų456.1 Ų56.12%0.02131%0.305CS..THydrogen-bonded Turntrans-68.4-16.7-178.1-66173.5000113.5L16 G19 A21 I23 V31 L71 R72 V75L16-L33 HydrophobicContact CD1-CD1 3.72Å; G19-L33 WeakPolarHBondContact O-CB 3.23Å; G19-L33 PolarHBondContact O-N 3.02Å; A21-L33 HydrophobicContact CB-CD1 4.15Å; A21-L33 HydrophobicContact CB-CD2 3.95Å; A21-L33 HydrophobicContact CB-CG 4.18Å; I23-L33 HydrophobicContact CD1-CD2 4.27Å; V31-L33 PolarHBondContact O-N 3.31Å; L33-L71 HydrophobicContact CB-CD2 3.65Å; L33-L71 HydrophobicContact CB-CG 3.99Å; L33-R72 HydrophobicContact CD1-CB 3.83Å; L33-R72 HydrophobicContact CD2-CB 4.26Å; L33-R72 HydrophobicContact CD2-CG 4.45Å; L33-V75 HydrophobicContact CD2-CB 4.4Å; L33-V75 HydrophobicContact CD2-CG2 4.39Å
34L91.3Very high83.4Confident43 Ų4356 Ų5623%0.22531%0.305CS..THydrogen-bonded Turntrans-90.6-42.6-176.5-64.7167.8000113.2C32 L53 H57 M60 Y68 L71C32-L34 PolarHBondContact O-N 3.38Å; L34-L53 HydrophobicContact CD1-CD1 3.66Å; L34-H57 HydrophobicContact CD1-CB 3.68Å; L34-M60 HydrophobicContact CD1-CB 3.71Å; L34-M60 HydrophobicContact CD1-CG 3.9Å; L34-M60 HydrophobicContact CD2-CE 3.52Å; L34-M60 HydrophobicContact CD2-CG 4.12Å; L34-Y68 HydrophobicContact CD1-CE1 4.13Å; L34-Y68 HydrophobicContact CG-CE1 4.38Å; L34-L71 HydrophobicContact CD2-CD2 3.52Å; L34-L71 HydrophobicContact CG-CD2 4.07Å
35C90.1Very high84.1Confident55 Ų5555.1 Ų55.137%0.37229%0.291SS..THydrogen-bonded Turntrans-107.41.9176.960.20000114C32 R37 H57C32-C35 VanDerWaalsContact SG-SG 3.62Å; C35-R37 PolarHBondContact O-N 3.26Å; C35-H57 PolarHBondContact SG-NE2 3.17Å
36E87Confident85Confident66 Ų6654.4 Ų54.431%0.30827%0.273SS..  trans54.514.3-177.1-59.5-163.1-138.200115.1C32 V38 K78 R79C32-E36 WeakPolarHBondContact O-CA 3.48Å; C32-E36 PolarHBondContact O-N 2.91Å; E36-V38 PolarHBondContact O-N 3.23Å; E36-K78 IonicContact OE1-NZ 2.61Å; E36-K78 PolarHBondContact OE1-NZ 3.15Å; E36-K78 VanDerWaalsContact OE1-NZ 3.13Å; E36-R79 IonicContact OE2-CZ 3.69Å; E36-R79 IonicContact OE2-NE 3.99Å; E36-R79 IonicContact OE2-NH2 3.13Å; E36-R79 PolarHBondContact OE2-NH2 2.97Å
37R87Confident86Confident154 Ų15457.9 Ų57.958%0.58130%0.299SS*.  trans-71.9128.2178.4-175.3175.1-177.2175.12.9110.2V31 C32 C35 F39V31-R37 WeakPolarHBondContact CA-O 3.46Å; C32-R37 PolarHBondContact N-O 3.14Å; C35-R37 PolarHBondContact O-N 3.26Å; R37-F39 HydrophobicContact CB-CD2 4.46Å; R37-F39 HydrophobicContact CB-CE2 3.79Å; R37-F39 HydrophobicContact CB-CZ 4.31Å; R37-F39 HydrophobicContact CG-CD2 4.28Å; R37-F39 HydrophobicContact CG-CE2 3.83Å; R37-F39 HydrophobicContact CG-CZ 4.11Å; R37-F39 WeakPolarHBondContact O-CD2 3.44Å; R37-F39 VanDerWaalsContact O-CE2 3.31Å; R37-F39 WeakPolarHBondContact O-CE2 3.44Å
38V87.8Confident86.7Confident67 Ų6755.8 Ų55.841%0.40629%0.285SS..BIsolated β-bridgetrans-80.2136.3170.7-172.40000109T26 L29 V31 E36T26-V38 HydrophobicContact CG2-CG2 4.2Å; L29-V38 HydrophobicContact CB-CG1 3.78Å; L29-V38 HydrophobicContact CD1-CG1 3.96Å; V31-V38 HydrophobicContact CG2-CG2 4.11Å; E36-V38 PolarHBondContact O-N 3.23Å
39F87.8Confident87.2Confident29 Ų2948.6 Ų48.613%0.12725%0.251CS..  trans-119.7152.6177.3-64.6-109.5000112F20 L29 P30 C32 R37 T43 H52F20-F39 AromaticContact CE1-CD2 3.63Å; F20-F39 HydrophobicContact CE1-CD2 3.63Å; F20-F39 AromaticContact CE1-CE2 3.66Å; F20-F39 HydrophobicContact CE1-CE2 3.66Å; F20-F39 HydrophobicContact CE1-CG 4.25Å; F20-F39 HydrophobicContact CE1-CZ 4.3Å; F20-F39 HydrophobicContact CZ-CD2 4.47Å; F20-F39 HydrophobicContact CZ-CE2 4.14Å; F20-F39 HydrophobicContact CZ-CZ 4.39Å; L29-F39 WeakPolarHBondContact CB-O 3.44Å; P30-F39 WeakPolarHBondContact CD-O 3.48Å; P30-F39 HydrophobicContact CG-CB 4.2Å; P30-F39 PolarHBondContact O-N 3.4Å; C32-F39 HydrophobicContact CB-CE2 3.88Å; R37-F39 HydrophobicContact CB-CD2 4.46Å; R37-F39 HydrophobicContact CB-CE2 3.79Å; R37-F39 HydrophobicContact CB-CZ 4.31Å; R37-F39 HydrophobicContact CG-CD2 4.28Å; R37-F39 HydrophobicContact CG-CE2 3.83Å; R37-F39 HydrophobicContact CG-CZ 4.11Å; R37-F39 WeakPolarHBondContact O-CD2 3.44Å; R37-F39 VanDerWaalsContact O-CE2 3.31Å; R37-F39 WeakPolarHBondContact O-CE2 3.44Å; F39-T43 HydrophobicContact CB-CG2 4.05Å; F39-T43 WeakPolarHBondContact CB-OG1 3.47Å; F39-T43 HydrophobicContact CD1-CG2 3.94Å; F39-H52 AromaticContact CE1-ND1 3.99Å; F39-H52 AromaticContact CZ-CD2 3.98Å; F39-H52 AromaticContact CZ-CE1 3.48Å; F39-H52 VanDerWaalsContact CZ-CE1 3.48Å; F39-H52 WeakPolarHBondContact CZ-CE1 3.39Å; F39-H52 AromaticContact CZ-CG 3.77Å; F39-H52 AromaticContact CZ-ND1 3.46Å; F39-H52 WeakPolarHBondContact CZ-ND1 3.38Å; F39-H52 AromaticContact CZ-NE2 3.79Å
40S85.7Confident87.4Confident62 Ų6251.4 Ų51.443%0.43426%0.261SS..  trans-69162176.564.90000112.4E42 T43S40-E42 PolarHBondContact O-N 2.96Å; S40-E42 VanDerWaalsContact O-N 3.11Å; S40-T43 WeakPolarHBondContact O-CB 3.25Å; S40-T43 PolarHBondContact O-N 3.03Å; S40-T43 PolarHBondContact O-OG1 3.48Å
41N82.4Confident87.6Confident37 Ų3757.5 Ų57.520%0.19828%0.284CS..G310 helixtrans-53-35.6178.8-168.7-71.6000113.1C8 R9 L29 T43 M44C8-N41 PolarHBondContact SG-ND2 2.86Å; R9-N41 PolarHBondContact N-ND2 3.04Å; R9-N41 PolarHBondContact N-OD1 3.36Å; R9-N41 PolarHBondContact O-ND2 3.42Å; L29-N41 HydrophobicContact CD2-CB 4.5Å; N41-T43 PolarHBondContact O-N 3.24Å; N41-M44 HydrophobicContact CB-CE 4Å; N41-M44 VanDerWaalsContact CG-CE 3.47Å; N41-M44 WeakPolarHBondContact ND2-CE 3.35Å; N41-M44 WeakPolarHBondContact O-CB 3.37Å; N41-M44 PolarHBondContact O-N 3.45Å
42E78.8Confident87.7Confident112 Ų11258.4 Ų58.452%0.52329%0.288SS..G310 helixtrans-60.9-20179.3-59.9-173.2179.800114.6S40 R48S40-E42 PolarHBondContact O-N 2.96Å; S40-E42 VanDerWaalsContact O-N 3.11Å; E42-R48 PolarHBondContact O-NH1 3.05Å; E42-R48 IonicContact OE2-NH1 3.53Å
43T73.9Confident87.7Confident23 Ų2358.7 Ų58.714%0.14129%0.29CS..G310 helixtrans-86.9-8179.569.20000112.7F39 S40 N41 K45F39-T43 HydrophobicContact CB-CG2 4.05Å; F39-T43 WeakPolarHBondContact CB-OG1 3.47Å; F39-T43 HydrophobicContact CD1-CG2 3.94Å; S40-T43 WeakPolarHBondContact O-CB 3.25Å; S40-T43 PolarHBondContact O-N 3.03Å; S40-T43 PolarHBondContact O-OG1 3.48Å; N41-T43 PolarHBondContact O-N 3.24Å; T43-K45 PolarHBondContact O-N 3.13Å
44M81.9Confident87.7Confident3 Ų364.3 Ų64.32%0.01531%0.314CS..  trans-69.327171.1-67.4-162.7-97.400113.8R9 Y15 P30 N41 M49R9-M44 HydrophobicContact CB-CB 4.04Å; R9-M44 WeakPolarHBondContact CD-O 3.16Å; R9-M44 WeakPolarHBondContact O-CE 3.5Å; Y15-M44 HydrophobicContact CE2-CB 4.36Å; P30-M44 HydrophobicContact CB-CG 4.1Å; P30-M44 HydrophobicContact CB-SD 4.48Å; P30-M44 HydrophobicContact CG-CG 3.5Å; P30-M44 HydrophobicContact CG-SD 4.15Å; N41-M44 HydrophobicContact CB-CE 4Å; N41-M44 VanDerWaalsContact CG-CE 3.47Å; N41-M44 WeakPolarHBondContact ND2-CE 3.35Å; N41-M44 WeakPolarHBondContact O-CB 3.37Å; N41-M44 PolarHBondContact O-N 3.45Å; M44-M49 HydrophobicContact CB-CE 4.27Å; M44-M49 HydrophobicContact CG-CE 3.91Å
45K88Confident87.8Confident83 Ų8371.5 Ų71.536%0.36134%0.338SS..SBendtrans-90.9122.7163.8-66-176.8-177.7-177.90107.5T43 S47 R48 M49T43-K45 PolarHBondContact O-N 3.13Å; K45-S47 PolarHBondContact O-N 2.93Å; K45-R48 HydrophobicContact CB-CB 4.42Å; K45-R48 HydrophobicContact CB-CG 4.22Å; K45-R48 PolarHBondContact O-N 2.83Å; K45-M49 PolarHBondContact O-N 3.38Å; K45-M49 VanDerWaalsContact O-N 3.17Å
46P88.2Confident87.9Confident52 Ų5277.2 Ų77.234%0.33835%0.352SS..Hα-helixtrans-49.6-36.6179.1-31.836.2000114Y15 F18 R48 M49 K50Y15-P46 HydrophobicContact CE1-CG 3.89Å; F18-P46 HydrophobicContact CE2-CB 3.9Å; F18-P46 HydrophobicContact CZ-CB 4.22Å; P46-R48 PolarHBondContact O-N 3.29Å; P46-M49 PolarHBondContact O-N 2.92Å; P46-K50 VanDerWaalsContact O-CB 3.28Å; P46-K50 WeakPolarHBondContact O-CB 3.42Å; P46-K50 PolarHBondContact O-N 3.36Å
47S89.7Confident88.2Confident86 Ų8675.8 Ų75.860%0.60135%0.345SS*.Hα-helixtrans-61.4-39.617657.70000113.4K45 R51K45-S47 PolarHBondContact O-N 2.93Å; S47-R51 WeakPolarHBondContact O-CB 3.06Å; S47-R51 PolarHBondContact O-N 3.42Å
48R90.2Very high88.3Confident92 Ų9272 Ų7235%0.34734%0.341SS..Hα-helixtrans-71.9-41.4177.4-68.7-171.9169.9-170.7-3.6111.3E42 K45 P46 R51 H52E42-R48 PolarHBondContact O-NH1 3.05Å; E42-R48 IonicContact OE2-NH1 3.53Å; K45-R48 HydrophobicContact CB-CB 4.42Å; K45-R48 HydrophobicContact CB-CG 4.22Å; K45-R48 PolarHBondContact O-N 2.83Å; P46-R48 PolarHBondContact O-N 3.29Å; R48-R51 PolarHBondContact O-N 2.91Å; R48-H52 PolarHBondContact O-N 2.89Å
49M90.5Very high88.3Confident1 Ų175.8 Ų75.81%0.00536%0.358CS..Hα-helixtrans-62.9-49.6175.6-72.2170.1161.100111.7Y15 F18 F20 P30 M44 K45 P46 R51 H52 L53Y15-M49 HydrophobicContact CD1-SD 4.18Å; Y15-M49 HydrophobicContact CD2-CE 4.03Å; Y15-M49 HydrophobicContact CD2-SD 4.21Å; Y15-M49 HydrophobicContact CG-CE 4.22Å; Y15-M49 HydrophobicContact CG-SD 3.87Å; F18-M49 HydrophobicContact CB-CB 4.09Å; F18-M49 HydrophobicContact CD2-CB 4.4Å; F18-M49 HydrophobicContact CG-CB 4.4Å; F20-M49 HydrophobicContact CB-CE 4.06Å; F20-M49 HydrophobicContact CB-SD 4.44Å; F20-M49 HydrophobicContact CD1-CE 4.05Å; F20-M49 HydrophobicContact CD1-CG 4.35Å; F20-M49 HydrophobicContact CD2-CB 3.82Å; F20-M49 HydrophobicContact CD2-CG 3.79Å; F20-M49 HydrophobicContact CD2-SD 4.27Å; F20-M49 HydrophobicContact CE1-CG 4.29Å; F20-M49 HydrophobicContact CE2-CB 3.6Å; F20-M49 HydrophobicContact CE2-CG 3.76Å; F20-M49 HydrophobicContact CG-CE 3.97Å; F20-M49 HydrophobicContact CG-CG 4.1Å; F20-M49 HydrophobicContact CG-SD 4.24Å; F20-M49 HydrophobicContact CZ-CB 4.2Å; F20-M49 HydrophobicContact CZ-CG 4Å; P30-M49 HydrophobicContact CB-CE 3.69Å; P30-M49 HydrophobicContact CG-CE 4.14Å; M44-M49 HydrophobicContact CB-CE 4.27Å; M44-M49 HydrophobicContact CG-CE 3.91Å; K45-M49 PolarHBondContact O-N 3.38Å; K45-M49 VanDerWaalsContact O-N 3.17Å; P46-M49 PolarHBondContact O-N 2.92Å; M49-R51 VanDerWaalsContact C-N 3.29Å; M49-R51 PolarHBondContact O-N 3.43Å; M49-H52 WeakPolarHBondContact O-CB 3.37Å; M49-H52 PolarHBondContact O-N 3.01Å; M49-H52 VanDerWaalsContact O-N 3.13Å; M49-L53 PolarHBondContact O-N 2.81Å
50K90.8Very high88.2Confident110 Ų11076.6 Ų76.648%0.47836%0.363SS..Hα-helixtrans-60-39.8176.1-168174.8-172.7176.40111.7F18 P46 L53 K54F18-K50 HydrophobicContact CD1-CB 4.23Å; F18-K50 HydrophobicContact CD1-CG 4.5Å; F18-K50 HydrophobicContact CE1-CB 4.36Å; F18-K50 HydrophobicContact CE1-CD 4.4Å; F18-K50 HydrophobicContact CE1-CG 4.49Å; P46-K50 VanDerWaalsContact O-CB 3.28Å; P46-K50 WeakPolarHBondContact O-CB 3.42Å; P46-K50 PolarHBondContact O-N 3.36Å; K50-L53 PolarHBondContact O-N 3.17Å; K50-K54 WeakPolarHBondContact O-CG 3.31Å; K50-K54 PolarHBondContact O-N 2.84Å
51R93.1Very high87.9Confident128 Ų12875.7 Ų75.748%0.48336%0.357SS..Hα-helixtrans-64.3-42.5174.5-179.7178.563.1174.43.2112.1S47 R48 M49 R55S47-R51 WeakPolarHBondContact O-CB 3.06Å; S47-R51 PolarHBondContact O-N 3.42Å; R48-R51 PolarHBondContact O-N 2.91Å; M49-R51 VanDerWaalsContact C-N 3.29Å; M49-R51 PolarHBondContact O-N 3.43Å; R51-R55 HydrophobicContact CG-CG 4.49Å; R51-R55 WeakPolarHBondContact O-CB 3.19Å; R51-R55 WeakPolarHBondContact O-CG 3Å; R51-R55 PolarHBondContact O-N 2.92Å
52H93.3Very high87.9Confident20 Ų2081.1 Ų81.19%0.09339%0.386CS..Hα-helixtrans-60.3-49.2174.6170.775000110.9F20 C32 F39 R48 M49 K54 R55 R56 H57F20-H52 AromaticContact CE2-CD2 3.96Å; F20-H52 HydrophobicContact CZ-CB 4.23Å; F20-H52 AromaticContact CZ-CD2 3.47Å; F20-H52 VanDerWaalsContact CZ-CD2 3.47Å; F20-H52 WeakPolarHBondContact CZ-CD2 3.38Å; C32-H52 PolarHBondContact SG-NE2 2.99Å; C32-H52 VanDerWaalsContact SG-NE2 3.42Å; F39-H52 AromaticContact CE1-ND1 3.99Å; F39-H52 AromaticContact CZ-CD2 3.98Å; F39-H52 AromaticContact CZ-CE1 3.48Å; F39-H52 VanDerWaalsContact CZ-CE1 3.48Å; F39-H52 WeakPolarHBondContact CZ-CE1 3.39Å; F39-H52 AromaticContact CZ-CG 3.77Å; F39-H52 AromaticContact CZ-ND1 3.46Å; F39-H52 WeakPolarHBondContact CZ-ND1 3.38Å; F39-H52 AromaticContact CZ-NE2 3.79Å; R48-H52 PolarHBondContact O-N 2.89Å; M49-H52 WeakPolarHBondContact O-CB 3.37Å; M49-H52 PolarHBondContact O-N 3.01Å; M49-H52 VanDerWaalsContact O-N 3.13Å; H52-K54 PolarHBondContact O-N 3.4Å; H52-R55 PolarHBondContact O-N 2.62Å; H52-R56 WeakPolarHBondContact O-CB 3.42Å; H52-R56 PolarHBondContact O-N 3.04Å; H52-H57 AromaticContact NE2-CD2 3.82Å; H52-H57 AromaticContact NE2-NE2 3.74Å
53L91.8Very high88.3Confident6 Ų680.9 Ų80.93%0.03138%0.383CS..Hα-helixtrans-56-51.2178.5-175.566.6000111.1L34 M49 K50 R55 H57 M60 Y68L34-L53 HydrophobicContact CD1-CD1 3.66Å; M49-L53 PolarHBondContact O-N 2.81Å; K50-L53 PolarHBondContact O-N 3.17Å; L53-R55 PolarHBondContact O-N 2.98Å; L53-H57 HydrophobicContact CD1-CB 4.11Å; L53-H57 CarbonylContact O-C 3.58Å; L53-H57 VanDerWaalsContact O-CA 3.23Å; L53-H57 WeakPolarHBondContact O-CA 3.26Å; L53-H57 WeakPolarHBondContact O-CB 3.39Å; L53-H57 PolarHBondContact O-N 3.11Å; L53-M60 HydrophobicContact CD1-CB 4.31Å; L53-Y68 WeakPolarHBondContact CD1-OH 3.09Å
54K91.8Very high89.2Confident121 Ų12186.6 Ų86.653%0.52641%0.408SS..Hα-helixtrans-61.8-39178.5-73.6-175173.5-164.70113.8K50 H52 P58K50-K54 WeakPolarHBondContact O-CG 3.31Å; K50-K54 PolarHBondContact O-N 2.84Å; H52-K54 PolarHBondContact O-N 3.4Å; K54-P58 WeakPolarHBondContact O-CA 3.31Å
55R93.7Very high89.6Confident194 Ų19489.1 Ų89.173%0.73242%0.424SS*.Hα-helixtrans-82.1-39.1-175.3-74.5-174.2174.7-168.5-3.4113.7R51 H52 L53R51-R55 HydrophobicContact CG-CG 4.49Å; R51-R55 WeakPolarHBondContact O-CB 3.19Å; R51-R55 WeakPolarHBondContact O-CG 3Å; R51-R55 PolarHBondContact O-N 2.92Å; H52-R55 PolarHBondContact O-N 2.62Å; L53-R55 PolarHBondContact O-N 2.98Å
56R92.2Very high89.7Confident176 Ų17688.2 Ų88.266%0.66443%0.428SS*.Hα-helixtrans-98.1-23.1-174.8-62-62.5-72.7-171.7-4.5112.8H52H52-R56 WeakPolarHBondContact O-CB 3.42Å; H52-R56 PolarHBondContact O-N 3.04Å
57H93.7Very high89.9Confident35 Ų3588.9 Ų88.916%0.16243%0.426CS..  trans-139.357.9-176.7-52.9-65000111.1L34 C35 H52 L53 N59 M60L34-H57 HydrophobicContact CD1-CB 3.68Å; C35-H57 PolarHBondContact SG-NE2 3.17Å; H52-H57 AromaticContact NE2-CD2 3.82Å; H52-H57 AromaticContact NE2-NE2 3.74Å; L53-H57 HydrophobicContact CD1-CB 4.11Å; L53-H57 CarbonylContact O-C 3.58Å; L53-H57 VanDerWaalsContact O-CA 3.23Å; L53-H57 WeakPolarHBondContact O-CA 3.26Å; L53-H57 WeakPolarHBondContact O-CB 3.39Å; L53-H57 PolarHBondContact O-N 3.11Å; H57-N59 PolarHBondContact O-N 3.16Å; H57-N59 VanDerWaalsContact O-N 3.16Å; H57-M60 HydrophobicContact CB-CB 4.11Å; H57-M60 HydrophobicContact CB-CG 4.19Å; H57-M60 PolarHBondContact O-N 2.81Å
58P89.2Confident90.1Very high75 Ų7584.9 Ų84.949%0.48740%0.398SS..G310 helixtrans-55.1-38-174.222-33000112.4K54 M60 S61K54-P58 WeakPolarHBondContact O-CA 3.31Å; P58-M60 PolarHBondContact O-N 3.28Å; P58-S61 PolarHBondContact O-N 3.4Å; P58-S61 PolarHBondContact O-OG 3.02Å
59N88.7Confident90.2Very high146 Ų14688.1 Ų88.178%0.78141%0.41SS*.G310 helixtrans-71.4-10.3-178.6-58.1-10.7000113.8H57H57-N59 PolarHBondContact O-N 3.16Å; H57-N59 VanDerWaalsContact O-N 3.16Å
60M85.6Confident90.3Very high47 Ų4790.6 Ų90.623%0.23243%0.431CS..G310 helixtrans-105.9-5.8-176.8-55-59.2-100.900112.6L34 L53 H57 P58 N62 K63 H67 Y68L34-M60 HydrophobicContact CD1-CB 3.71Å; L34-M60 HydrophobicContact CD1-CG 3.9Å; L34-M60 HydrophobicContact CD2-CE 3.52Å; L34-M60 HydrophobicContact CD2-CG 4.12Å; L53-M60 HydrophobicContact CD1-CB 4.31Å; H57-M60 HydrophobicContact CB-CB 4.11Å; H57-M60 HydrophobicContact CB-CG 4.19Å; H57-M60 PolarHBondContact O-N 2.81Å; P58-M60 PolarHBondContact O-N 3.28Å; M60-N62 PolarHBondContact O-N 3.15Å; M60-N62 VanDerWaalsContact O-N 3.08Å; M60-K63 PolarHBondContact O-N 2.98Å; M60-K63 HydrophobicContact SD-CG 4.3Å; M60-H67 VanDerWaalsContact CE-NE2 3.26Å; M60-H67 WeakPolarHBondContact CE-NE2 3.37Å; M60-Y68 PolarHBondContact O-OH 3.5Å
61S78.2Confident90.3Very high42 Ų4287 Ų8729%0.29442%0.417SS..THydrogen-bonded Turntrans-63.6-21.5-172.568.10000114.9P58P58-S61 PolarHBondContact O-N 3.4Å; P58-S61 PolarHBondContact O-OG 3.02Å
62N82Confident90.2Very high152 Ų15285.6 Ų85.681%0.81341%0.411SS*.THydrogen-bonded Turntrans-108.49.5-175.3-59.9-8.1000112.8M60M60-N62 PolarHBondContact O-N 3.15Å; M60-N62 VanDerWaalsContact O-N 3.08Å
63K88.6Confident90Very high107 Ų10790 Ų9047%0.46543%0.432SS..  trans-73.8145.4176.8-66.5-66.4-176-177.20110.7M60 H67 Y68M60-K63 PolarHBondContact O-N 2.98Å; M60-K63 HydrophobicContact SD-CG 4.3Å; K63-H67 HydrophobicContact CB-CB 4.19Å; K63-Y68 HydrophobicContact CB-CE2 4.14Å
64E91.1Very high89.8Confident142 Ų14296.9 Ų96.966%0.66446%0.462SS*.  trans-68160.2175.9-69.1-170.7167.500113S66 H67 Y68E64-S66 VanDerWaalsContact CB-OG 3.32Å; E64-S66 WeakPolarHBondContact CB-OG 3.46Å; E64-S66 PolarHBondContact O-N 3.24Å; E64-S66 PolarHBondContact OE2-OG 2.94Å; E64-S66 VanDerWaalsContact OE2-OG 3.1Å; E64-H67 WeakPolarHBondContact O-CB 3.29Å; E64-H67 PolarHBondContact O-N 3.06Å; E64-H67 VanDerWaalsContact O-N 3.13Å; E64-Y68 WeakPolarHBondContact O-CD2 3.5Å
65V90.7Very high89.5Confident56 Ų5691.5 Ų91.534%0.33944%0.439SS..Hα-helixtrans-58.9-32.1175.6-175.50000111.9L16 R17 H67 Y68 R69L16-V65 HydrophobicContact CD2-CG1 4.14Å; L16-V65 HydrophobicContact CG-CG1 4.31Å; R17-V65 HydrophobicContact CB-CG2 3.71Å; V65-H67 VanDerWaalsContact C-N 3.3Å; V65-H67 PolarHBondContact O-N 2.64Å; V65-Y68 PolarHBondContact O-N 2.87Å; V65-Y68 VanDerWaalsContact O-N 3.14Å; V65-R69 PolarHBondContact O-N 2.9Å
66S91.4Very high88.9Confident64 Ų6483.7 Ų83.745%0.44841%0.411SS..Hα-helixtrans-55.5-42.6175.755.10000112.1E64 Y68 R69 A70E64-S66 VanDerWaalsContact CB-OG 3.32Å; E64-S66 WeakPolarHBondContact CB-OG 3.46Å; E64-S66 PolarHBondContact O-N 3.24Å; E64-S66 PolarHBondContact OE2-OG 2.94Å; E64-S66 VanDerWaalsContact OE2-OG 3.1Å; S66-Y68 PolarHBondContact O-N 3.38Å; S66-R69 PolarHBondContact O-N 2.61Å; S66-A70 PolarHBondContact O-N 3.31Å; S66-A70 VanDerWaalsContact O-N 3.08Å
67H92.5Very high88.3Confident67 Ų6782.3 Ų82.331%0.3141%0.41SS..Hα-helixtrans-60.5-45.7175.7178.375.3000111.7M60 K63 E64 V65 A70 L71M60-H67 VanDerWaalsContact CE-NE2 3.26Å; M60-H67 WeakPolarHBondContact CE-NE2 3.37Å; K63-H67 HydrophobicContact CB-CB 4.19Å; E64-H67 WeakPolarHBondContact O-CB 3.29Å; E64-H67 PolarHBondContact O-N 3.06Å; E64-H67 VanDerWaalsContact O-N 3.13Å; V65-H67 VanDerWaalsContact C-N 3.3Å; V65-H67 PolarHBondContact O-N 2.64Å; H67-A70 PolarHBondContact O-N 3.47Å; H67-L71 WeakPolarHBondContact O-CB 3.37Å; H67-L71 PolarHBondContact O-N 3.47Å
68Y92.7Very high87.4Confident1 Ų187.9 Ų87.90%0.00443%0.434CS..Hα-helixtrans-70.3-31.4179.4-65-64.4000113.1L16 G19 L34 L53 M60 K63 E64 V65 S66 L71 R72L16-Y68 WeakPolarHBondContact O-CB 3.21Å; L16-Y68 WeakPolarHBondContact O-CD2 3.32Å; G19-Y68 VanDerWaalsContact CA-CE1 3.41Å; L34-Y68 HydrophobicContact CD1-CE1 4.13Å; L34-Y68 HydrophobicContact CG-CE1 4.38Å; L53-Y68 WeakPolarHBondContact CD1-OH 3.09Å; M60-Y68 PolarHBondContact O-OH 3.5Å; K63-Y68 HydrophobicContact CB-CE2 4.14Å; E64-Y68 WeakPolarHBondContact O-CD2 3.5Å; V65-Y68 PolarHBondContact O-N 2.87Å; V65-Y68 VanDerWaalsContact O-N 3.14Å; S66-Y68 PolarHBondContact O-N 3.38Å; Y68-L71 HydrophobicContact CD1-CD2 4.43Å; Y68-L71 PolarHBondContact O-N 3Å; Y68-R72 WeakPolarHBondContact O-CB 3.35Å; Y68-R72 PolarHBondContact O-N 3.4Å
69R92.8Very high86.5Confident161 Ų16188.2 Ų88.261%0.60843%0.425SS*.Hα-helixtrans-60.4-51.6169.8-74.1179.4-173.9170.13110.9L16 V65 S66 L71 R72 E73L16-R69 HydrophobicContact CD2-CB 4.43Å; L16-R69 HydrophobicContact CD2-CG 3.42Å; L16-R69 VanDerWaalsContact CD2-CG 3.42Å; V65-R69 PolarHBondContact O-N 2.9Å; S66-R69 PolarHBondContact O-N 2.61Å; R69-L71 VanDerWaalsContact C-N 3.28Å; R69-L71 PolarHBondContact O-N 2.92Å; R69-R72 WeakPolarHBondContact O-CB 3.48Å; R69-R72 PolarHBondContact O-N 2.98Å; R69-R72 VanDerWaalsContact O-N 3.17Å; R69-E73 PolarHBondContact O-N 3.13Å
70A92.8Very high85.6Confident53 Ų5385.1 Ų85.144%0.43841%0.412SS..Hα-helixtrans-61.4-38.5177.700000112.2S66 H67 E73 K74S66-A70 PolarHBondContact O-N 3.31Å; S66-A70 VanDerWaalsContact O-N 3.08Å; H67-A70 PolarHBondContact O-N 3.47Å; A70-E73 PolarHBondContact O-N 2.94Å; A70-K74 WeakPolarHBondContact O-CG 3.16Å; A70-K74 PolarHBondContact O-N 3.01Å
71L91Very high84.5Confident35 Ų3585 Ų8518%0.18341%0.414CS..Hα-helixtrans-65.7-41176.1-172.362.8000111.8L33 L34 H67 Y68 R69 K74 V75L33-L71 HydrophobicContact CB-CD2 3.65Å; L33-L71 HydrophobicContact CB-CG 3.99Å; L34-L71 HydrophobicContact CD2-CD2 3.52Å; L34-L71 HydrophobicContact CG-CD2 4.07Å; H67-L71 WeakPolarHBondContact O-CB 3.37Å; H67-L71 PolarHBondContact O-N 3.47Å; Y68-L71 HydrophobicContact CD1-CD2 4.43Å; Y68-L71 PolarHBondContact O-N 3Å; R69-L71 VanDerWaalsContact C-N 3.28Å; R69-L71 PolarHBondContact O-N 2.92Å; L71-K74 PolarHBondContact O-N 3.36Å; L71-V75 VanDerWaalsContact O-CG2 3.31Å; L71-V75 WeakPolarHBondContact O-CG2 3.38Å; L71-V75 PolarHBondContact O-N 3.18Å
72R90.7Very high84.2Confident97 Ų9787.5 Ų87.537%0.36643%0.425SS..Hα-helixtrans-56.8-51.1174-177.2-179178.7-122.65.1110.5A21 L33 Y68 R69 K74 V75 M76A21-R72 HydrophobicContact CB-CG 4.22Å; L33-R72 HydrophobicContact CD1-CB 3.83Å; L33-R72 HydrophobicContact CD2-CB 4.26Å; L33-R72 HydrophobicContact CD2-CG 4.45Å; Y68-R72 WeakPolarHBondContact O-CB 3.35Å; Y68-R72 PolarHBondContact O-N 3.4Å; R69-R72 WeakPolarHBondContact O-CB 3.48Å; R69-R72 PolarHBondContact O-N 2.98Å; R69-R72 VanDerWaalsContact O-N 3.17Å; R72-K74 VanDerWaalsContact C-N 3.32Å; R72-K74 PolarHBondContact O-N 3.46Å; R72-V75 PolarHBondContact O-N 3.22Å; R72-V75 VanDerWaalsContact O-N 3.16Å; R72-M76 HydrophobicContact CG-CE 3.86Å; R72-M76 HydrophobicContact CG-CG 4.29Å; R72-M76 VanDerWaalsContact O-CG 3.23Å; R72-M76 WeakPolarHBondContact O-CG 3.34Å; R72-M76 PolarHBondContact O-N 3.38Å
73E89.4Confident83.9Confident113 Ų11382.6 Ų82.653%0.52840%0.402SS..Hα-helixtrans-59.1-42.4178.8-66-51.2130.100112.2R69 A70 V75 M76 K77R69-E73 PolarHBondContact O-N 3.13Å; A70-E73 PolarHBondContact O-N 2.94Å; E73-V75 PolarHBondContact O-N 2.97Å; E73-M76 PolarHBondContact O-N 3.09Å; E73-K77 VanDerWaalsContact O-CB 3.3Å; E73-K77 WeakPolarHBondContact O-CB 3.49Å; E73-K77 PolarHBondContact O-N 3Å
74K87.1Confident83.6Confident150 Ų15084.8 Ų84.865%0.65241%0.412SS*.Hα-helixtrans-60.4-45.4174.7-74.1178.2-179.6-176.30112.3A70 L71 R72 K78A70-K74 WeakPolarHBondContact O-CG 3.16Å; A70-K74 PolarHBondContact O-N 3.01Å; L71-K74 PolarHBondContact O-N 3.36Å; R72-K74 VanDerWaalsContact C-N 3.32Å; R72-K74 PolarHBondContact O-N 3.46Å; K74-K78 WeakPolarHBondContact O-CB 3.46Å; K74-K78 PolarHBondContact O-N 3.1Å
75V86Confident83.1Confident9 Ų979.8 Ų79.86%0.05539%0.394CS..Hα-helixtrans-66.5-41178.8174.10000111I23 L33 L71 R72 E73 K78 R79I23-V75 HydrophobicContact CD1-CG1 3.7Å; L33-V75 HydrophobicContact CD2-CB 4.4Å; L33-V75 HydrophobicContact CD2-CG2 4.39Å; L71-V75 VanDerWaalsContact O-CG2 3.31Å; L71-V75 WeakPolarHBondContact O-CG2 3.38Å; L71-V75 PolarHBondContact O-N 3.18Å; R72-V75 PolarHBondContact O-N 3.22Å; R72-V75 VanDerWaalsContact O-N 3.16Å; E73-V75 PolarHBondContact O-N 2.97Å; V75-K78 PolarHBondContact O-N 3.44Å; V75-R79 WeakPolarHBondContact O-CG 3.43Å; V75-R79 PolarHBondContact O-N 3.28Å; V75-R79 VanDerWaalsContact O-N 3.17Å
76M81Confident82.8Confident30 Ų3079.9 Ų79.915%0.14839%0.393CS..Hα-helixtrans-60.6-53.1175.3-67.2-63.3173.700110.4V22 I23 P24 R72 E73 K78 R79 T80V22-M76 WeakPolarHBondContact O-CE 3.4Å; I23-M76 HydrophobicContact CB-CE 4.11Å; I23-M76 HydrophobicContact CB-SD 4.44Å; I23-M76 HydrophobicContact CG1-CE 3.79Å; I23-M76 HydrophobicContact CG2-CE 4.11Å; I23-M76 HydrophobicContact CG2-SD 3.79Å; P24-M76 VanDerWaalsContact CD-SD 3.5Å; P24-M76 HydrophobicContact CG-SD 4.4Å; R72-M76 HydrophobicContact CG-CE 3.86Å; R72-M76 HydrophobicContact CG-CG 4.29Å; R72-M76 VanDerWaalsContact O-CG 3.23Å; R72-M76 WeakPolarHBondContact O-CG 3.34Å; R72-M76 PolarHBondContact O-N 3.38Å; E73-M76 PolarHBondContact O-N 3.09Å; M76-K78 PolarHBondContact O-N 2.88Å; M76-R79 PolarHBondContact O-N 3Å; M76-T80 PolarHBondContact O-N 3.29Å; M76-T80 PolarHBondContact O-OG1 3.2Å
77K78.2Confident82.6Confident147 Ų14783.9 Ų83.964%0.63940%0.398SS*.Hα-helixtrans-59.5-30.9-179.5-172.4172.3-178.6175.70113.3E73 N82E73-K77 VanDerWaalsContact O-CB 3.3Å; E73-K77 WeakPolarHBondContact O-CB 3.49Å; E73-K77 PolarHBondContact O-N 3Å; K77-N82 WeakPolarHBondContact CG-ND2 3.46Å; K77-N82 PolarHBondContact O-ND2 2.73Å
78K75.7Confident82.5Confident152 Ų15285 Ų8566%0.66141%0.407SS*.Hα-helixtrans-73-30.3174.4-176.4-176.3171.7-165.30112.6E36 K74 V75 M76E36-K78 IonicContact OE1-NZ 2.61Å; E36-K78 PolarHBondContact OE1-NZ 3.15Å; E36-K78 VanDerWaalsContact OE1-NZ 3.13Å; K74-K78 WeakPolarHBondContact O-CB 3.46Å; K74-K78 PolarHBondContact O-N 3.1Å; V75-K78 PolarHBondContact O-N 3.44Å; M76-K78 PolarHBondContact O-N 2.88Å
79R70.6Confident82.5Confident82 Ų8285.2 Ų85.231%0.30941%0.409SS..Hα-helixtrans-86.7-29.1-178-74.7179.1173.9-140.3-1.3113.1E36 V75 M76 P81E36-R79 IonicContact OE2-CZ 3.69Å; E36-R79 IonicContact OE2-NE 3.99Å; E36-R79 IonicContact OE2-NH2 3.13Å; E36-R79 PolarHBondContact OE2-NH2 2.97Å; V75-R79 WeakPolarHBondContact O-CG 3.43Å; V75-R79 PolarHBondContact O-N 3.28Å; V75-R79 VanDerWaalsContact O-N 3.17Å; M76-R79 PolarHBondContact O-N 3Å; R79-P81 WeakPolarHBondContact O-CD 3.31Å
80T69.2Low82.4Confident81 Ų8180.5 Ų80.550%0.49740%0.396SS..SBendtrans-75.7120169.9-5.60000109M76 N82M76-T80 PolarHBondContact O-N 3.29Å; M76-T80 PolarHBondContact O-OG1 3.2Å; T80-N82 PolarHBondContact O-N 3.22Å; T80-N82 PolarHBondContact O-OD1 3.46Å
81P63.4Low82.4Confident43 Ų4379.6 Ų79.628%0.27939%0.389SS..  trans-68.3103.7174.328-32.8000108.7R79 D86 R87 L90R79-P81 WeakPolarHBondContact O-CD 3.31Å; P81-D86 HydrophobicContact CB-CB 3.6Å; P81-R87 HydrophobicContact CB-CB 4.47Å; P81-R87 HydrophobicContact CB-CG 3.66Å; P81-R87 HydrophobicContact CG-CG 3.75Å; P81-L90 HydrophobicContact CG-CD2 4.1Å
82N70.4Confident82.7Confident96 Ų9679.2 Ų79.251%0.51339%0.391SS..  trans-83.8-31.2-173.8-62.7-40.3000111.6K77 T80K77-N82 WeakPolarHBondContact CG-ND2 3.46Å; K77-N82 PolarHBondContact O-ND2 2.73Å; T80-N82 PolarHBondContact O-N 3.22Å; T80-N82 PolarHBondContact O-OD1 3.46Å
83S76.4Confident82.9Confident48 Ų4874.6 Ų74.634%0.33637%0.373SS..SBendtrans-99.6160.3177.775.70000112A85 D86 R87S83-A85 VanDerWaalsContact C-N 3.27Å; S83-A85 PolarHBondContact O-N 3.3Å; S83-D86 WeakPolarHBondContact CB-OD2 3.46Å; S83-D86 PolarHBondContact N-OD2 3.05Å; S83-D86 VanDerWaalsContact N-OD2 3.12Å; S83-D86 PolarHBondContact O-N 2.94Å; S83-D86 PolarHBondContact OG-N 2.87Å; S83-D86 VanDerWaalsContact OG-N 3.09Å; S83-D86 PolarHBondContact OG-OD1 3.48Å; S83-D86 PolarHBondContact OG-OD2 3.21Å; S83-R87 PolarHBondContact O-N 3.08Å
84K81.8Confident83.3Confident153 Ų15373.1 Ų73.167%0.66536%0.363SS*.Hα-helixtrans-57.5-44170.9-175.7180175.9-1780110.9D86 R87 D88K84-D86 VanDerWaalsContact C-N 3.29Å; K84-D86 PolarHBondContact O-N 3.3Å; K84-R87 WeakPolarHBondContact O-CB 3.3Å; K84-R87 PolarHBondContact O-N 3.22Å; K84-D88 VanDerWaalsContact O-CG 3.3Å; K84-D88 PolarHBondContact O-N 3.28Å
85A81.8Confident83.8Confident37 Ų3774.1 Ų74.131%0.30636%0.363SS..Hα-helixtrans-61.6-34.517900000113.1S83 D88 G89 K136S83-A85 VanDerWaalsContact C-N 3.27Å; S83-A85 PolarHBondContact O-N 3.3Å; A85-D88 PolarHBondContact O-N 3.31Å; A85-G89 PolarHBondContact O-N 2.88Å; A85-K136 HydrophobicContact CB-CD 4Å
86D84.1Confident84.4Confident58 Ų5875 Ų7531%0.3137%0.367SS..Hα-helixtrans-68.5-38.2174.8-59-38.5000111.5P81 S83 K84 L90P81-D86 HydrophobicContact CB-CB 3.6Å; S83-D86 WeakPolarHBondContact CB-OD2 3.46Å; S83-D86 PolarHBondContact N-OD2 3.05Å; S83-D86 VanDerWaalsContact N-OD2 3.12Å; S83-D86 PolarHBondContact O-N 2.94Å; S83-D86 PolarHBondContact OG-N 2.87Å; S83-D86 VanDerWaalsContact OG-N 3.09Å; S83-D86 PolarHBondContact OG-OD1 3.48Å; S83-D86 PolarHBondContact OG-OD2 3.21Å; K84-D86 VanDerWaalsContact C-N 3.29Å; K84-D86 PolarHBondContact O-N 3.3Å; D86-L90 VanDerWaalsContact O-CB 3.3Å; D86-L90 WeakPolarHBondContact O-CB 3.43Å; D86-L90 PolarHBondContact O-N 3.41Å
87R86.3Confident85.2Confident148 Ų14873.5 Ų73.556%0.55836%0.36SS*.Hα-helixtrans-65.4-43.2174.9-72-174.2-93.5176.1-7.3111.2P81 S83 K84 L90 A91P81-R87 HydrophobicContact CB-CB 4.47Å; P81-R87 HydrophobicContact CB-CG 3.66Å; P81-R87 HydrophobicContact CG-CG 3.75Å; S83-R87 PolarHBondContact O-N 3.08Å; K84-R87 WeakPolarHBondContact O-CB 3.3Å; K84-R87 PolarHBondContact O-N 3.22Å; R87-L90 PolarHBondContact O-N 3.2Å; R87-A91 WeakPolarHBondContact O-CB 3.49Å; R87-A91 PolarHBondContact O-N 2.99Å
88D91.3Very high86.1Confident90 Ų9070.1 Ų70.148%0.48135%0.347SS..Hα-helixtrans-65.1-42.9178.2-64.9-22.4000111K84 A85 A91 A92K84-D88 VanDerWaalsContact O-CG 3.3Å; K84-D88 PolarHBondContact O-N 3.28Å; A85-D88 PolarHBondContact O-N 3.31Å; D88-A91 PolarHBondContact O-N 3.37Å; D88-A92 WeakPolarHBondContact O-CB 3.32Å; D88-A92 PolarHBondContact O-N 2.89Å
89G91.8Very high87.2Confident6 Ų667.9 Ų67.96%0.06234%0.342CS..Hα-helixtrans-64-39.5174.500000113A85 S93 K136A85-G89 PolarHBondContact O-N 2.88Å; G89-S93 PolarHBondContact O-N 3.05Å; G89-K136 CarbonylContact C-O 3.5Å; G89-K136 WeakPolarHBondContact CA-O 3.35Å
90L91.5Very high88.5Confident62 Ų6264.3 Ų64.333%0.32533%0.329SS..Hα-helixtrans-61.8-48.9173.2-178.863.5000111P81 D86 R87 S93 Y94 R147P81-L90 HydrophobicContact CG-CD2 4.1Å; D86-L90 VanDerWaalsContact O-CB 3.3Å; D86-L90 WeakPolarHBondContact O-CB 3.43Å; D86-L90 PolarHBondContact O-N 3.41Å; R87-L90 PolarHBondContact O-N 3.2Å; L90-S93 PolarHBondContact O-N 3.17Å; L90-Y94 HydrophobicContact CD1-CD2 4.1Å; L90-Y94 HydrophobicContact CD1-CE2 3.88Å; L90-Y94 HydrophobicContact CG-CD2 4.22Å; L90-Y94 HydrophobicContact CG-CE2 4.24Å; L90-Y94 WeakPolarHBondContact O-CD2 3.31Å; L90-Y94 PolarHBondContact O-N 2.84Å; L90-Y94 VanDerWaalsContact O-N 3.09Å; L90-R147 PolarHBondContact O-NH1 2.93Å
91A93.7Very high89.8Confident35 Ų3562.7 Ų62.729%0.28932%0.324SS..Hα-helixtrans-60.8-45.3178.400000111.8R87 D88 S93 Y94 R95R87-A91 WeakPolarHBondContact O-CB 3.49Å; R87-A91 PolarHBondContact O-N 2.99Å; D88-A91 PolarHBondContact O-N 3.37Å; A91-S93 VanDerWaalsContact C-N 3.34Å; A91-S93 PolarHBondContact O-N 2.91Å; A91-Y94 PolarHBondContact O-N 3.38Å; A91-R95 WeakPolarHBondContact O-CG 3.33Å; A91-R95 PolarHBondContact O-N 2.88Å
92A95.8Very high91.4Very high27 Ų2768.4 Ų68.422%0.22334%0.344CS..Hα-helixtrans-56.6-47.8175.700000111.2D88 Y94 R95 I96 I137D88-A92 WeakPolarHBondContact O-CB 3.32Å; D88-A92 PolarHBondContact O-N 2.89Å; A92-Y94 VanDerWaalsContact C-N 3.33Å; A92-Y94 PolarHBondContact O-N 2.78Å; A92-R95 PolarHBondContact O-N 3.27Å; A92-I96 VanDerWaalsContact O-CG1 3.28Å; A92-I96 WeakPolarHBondContact O-CG1 3.37Å; A92-I96 PolarHBondContact O-N 3.16Å; A92-I137 HydrophobicContact CB-CD1 4.33Å; A92-I137 HydrophobicContact CB-CG1 4.47Å
93S95.7Very high92.7Very high0 Ų066.8 Ų66.80%034%0.344CS..Hα-helixtrans-68.2-29.6-179.4168.70000113.3G89 L90 A91 S97 S138 L139 R147G89-S93 PolarHBondContact O-N 3.05Å; L90-S93 PolarHBondContact O-N 3.17Å; A91-S93 VanDerWaalsContact C-N 3.34Å; A91-S93 PolarHBondContact O-N 2.91Å; S93-S97 WeakPolarHBondContact O-CB 3.49Å; S93-S97 PolarHBondContact O-N 3.46Å; S93-S97 PolarHBondContact O-OG 3.4Å; S93-S138 PolarHBondContact OG-O 2.84Å; S93-L139 WeakPolarHBondContact OG-CD2 3.4Å; S93-R147 PolarHBondContact OG-NE 3.05Å; S93-R147 VanDerWaalsContact OG-NE 3.13Å; S93-R147 PolarHBondContact OG-NH1 3.19Å; S93-R147 PolarHBondContact OG-NH2 3.37Å
94Y97.4Very high93.7Very high81 Ų8167.7 Ų67.732%0.31836%0.361SS..Hα-helixtrans-66.6-46.5170.9-94.3-80.7000111.2L90 A91 A92 I96 S97 M98 R147 M151L90-Y94 HydrophobicContact CD1-CD2 4.1Å; L90-Y94 HydrophobicContact CD1-CE2 3.88Å; L90-Y94 HydrophobicContact CG-CD2 4.22Å; L90-Y94 HydrophobicContact CG-CE2 4.24Å; L90-Y94 WeakPolarHBondContact O-CD2 3.31Å; L90-Y94 PolarHBondContact O-N 2.84Å; L90-Y94 VanDerWaalsContact O-N 3.09Å; A91-Y94 PolarHBondContact O-N 3.38Å; A92-Y94 VanDerWaalsContact C-N 3.33Å; A92-Y94 PolarHBondContact O-N 2.78Å; Y94-I96 VanDerWaalsContact C-N 3.35Å; Y94-I96 PolarHBondContact O-N 3.06Å; Y94-S97 PolarHBondContact O-N 3.25Å; Y94-M98 PolarHBondContact O-N 2.88Å; Y94-R147 HydrophobicContact CD1-CB 4.01Å; Y94-R147 HydrophobicContact CD1-CG 4.09Å; Y94-R147 HydrophobicContact CE1-CB 3.86Å; Y94-R147 HydrophobicContact CE1-CG 3.82Å; Y94-R147 HydrophobicContact CE2-CG 4.23Å; Y94-R147 HydrophobicContact CG-CG 4.43Å; Y94-M151 HydrophobicContact CD1-CG 4.03Å; Y94-M151 HydrophobicContact CD1-SD 3.96Å; Y94-M151 HydrophobicContact CE1-CG 4.22Å
95R97.7Very high94.4Very high171 Ų17165.7 Ų65.765%0.64535%0.352SS*.Hα-helixtrans-60.9-43.6177.7-68.3173.8-174.61621.9111.7A91 A92 M98 L99A91-R95 WeakPolarHBondContact O-CG 3.33Å; A91-R95 PolarHBondContact O-N 2.88Å; A92-R95 PolarHBondContact O-N 3.27Å; R95-M98 WeakPolarHBondContact O-CB 3.24Å; R95-M98 PolarHBondContact O-N 3.49Å; R95-L99 WeakPolarHBondContact O-CG 3.17Å; R95-L99 PolarHBondContact O-N 3.14Å
96I97.7Very high95.1Very high27 Ų2767.7 Ų67.714%0.13836%0.362CS..Hα-helixtrans-64.6-43.8176.3-66.9166.7000111A92 Y94 M98 L99 I100 M114 I137 L139A92-I96 VanDerWaalsContact O-CG1 3.28Å; A92-I96 WeakPolarHBondContact O-CG1 3.37Å; A92-I96 PolarHBondContact O-N 3.16Å; Y94-I96 VanDerWaalsContact C-N 3.35Å; Y94-I96 PolarHBondContact O-N 3.06Å; I96-M98 PolarHBondContact O-N 3.14Å; I96-L99 WeakPolarHBondContact O-CB 3.41Å; I96-L99 PolarHBondContact O-N 2.82Å; I96-I100 HydrophobicContact CG2-CD1 4.06Å; I96-I100 HydrophobicContact CG2-CG1 4.43Å; I96-I100 WeakPolarHBondContact O-CG1 3.38Å; I96-I100 PolarHBondContact O-N 2.87Å; I96-M114 HydrophobicContact CG2-CE 3.6Å; I96-M114 HydrophobicContact CG2-SD 3.75Å; I96-I137 HydrophobicContact CD1-CG2 4.31Å; I96-L139 HydrophobicContact CB-CD2 3.96Å; I96-L139 HydrophobicContact CD1-CD1 4.01Å; I96-L139 HydrophobicContact CG2-CD1 3.86Å; I96-L139 HydrophobicContact CG2-CD2 3.64Å; I96-L139 HydrophobicContact CG2-CG 4.44Å
97S97.9Very high95.7Very high0 Ų067.7 Ų67.70%036%0.36CS..Hα-helixtrans-59.6-38.1176.3-57.70000111.6S93 Y94 I100 A101 R147S93-S97 WeakPolarHBondContact O-CB 3.49Å; S93-S97 PolarHBondContact O-N 3.46Å; S93-S97 PolarHBondContact O-OG 3.4Å; Y94-S97 PolarHBondContact O-N 3.25Å; S97-I100 PolarHBondContact O-N 2.81Å; S97-A101 PolarHBondContact O-N 3.43Å; S97-R147 WeakPolarHBondContact OG-CD 3.46Å
98M97.9Very high96.2Very high76 Ų7662.5 Ų62.537%0.37435%0.345SS..Hα-helixtrans-65.1-40.7173.7-176.4178.363.200112Y94 R95 I96 A101 K102 M151Y94-M98 PolarHBondContact O-N 2.88Å; R95-M98 WeakPolarHBondContact O-CB 3.24Å; R95-M98 PolarHBondContact O-N 3.49Å; I96-M98 PolarHBondContact O-N 3.14Å; M98-A101 PolarHBondContact O-N 3.11Å; M98-K102 HydrophobicContact CG-CD 4.38Å; M98-K102 WeakPolarHBondContact O-CB 3.09Å; M98-K102 WeakPolarHBondContact O-CG 3.43Å; M98-K102 PolarHBondContact O-N 3.01Å; M98-M151 HydrophobicContact CB-CE 4Å; M98-M151 HydrophobicContact CB-SD 4.02Å
99L98.3Very high96.5Very high105 Ų10560 Ų6055%0.5533%0.331SS..Hα-helixtrans-63.3-41.6175.1-68.4172.5000111.9R95 I96 A101 K102 A103R95-L99 WeakPolarHBondContact O-CG 3.17Å; R95-L99 PolarHBondContact O-N 3.14Å; I96-L99 WeakPolarHBondContact O-CB 3.41Å; I96-L99 PolarHBondContact O-N 2.82Å; L99-A101 VanDerWaalsContact C-N 3.35Å; L99-A101 PolarHBondContact O-N 3.29Å; L99-K102 PolarHBondContact O-N 3.08Å; L99-A103 WeakPolarHBondContact O-CB 3.43Å; L99-A103 PolarHBondContact O-N 3.05Å
100I97.9Very high96.6Very high7 Ų759.8 Ų59.84%0.03633%0.329CS..Hα-helixtrans-58.2-48.4175.2-68.8169.6000110.3I96 S97 A103 G104 K105 I109 M114 V144I96-I100 HydrophobicContact CG2-CD1 4.06Å; I96-I100 HydrophobicContact CG2-CG1 4.43Å; I96-I100 WeakPolarHBondContact O-CG1 3.38Å; I96-I100 PolarHBondContact O-N 2.87Å; S97-I100 PolarHBondContact O-N 2.81Å; I100-A103 PolarHBondContact O-N 2.98Å; I100-G104 PolarHBondContact O-N 3.19Å; I100-K105 HydrophobicContact CG2-CB 4.15Å; I100-K105 WeakPolarHBondContact CG2-O 3.45Å; I100-K105 PolarHBondContact O-N 3.42Å; I100-I109 HydrophobicContact CB-CG2 4.5Å; I100-I109 HydrophobicContact CD1-CG2 3.73Å; I100-I109 HydrophobicContact CG1-CG2 3.76Å; I100-I109 HydrophobicContact CG2-CG2 3.95Å; I100-M114 HydrophobicContact CD1-SD 3.95Å; I100-M114 HydrophobicContact CG1-SD 4.09Å; I100-V144 HydrophobicContact CD1-CG1 3.95Å; I100-V144 HydrophobicContact CD1-CG2 4.15Å; I100-V144 HydrophobicContact CG2-CG1 4.22Å
101A97.2Very high96.8Very high47 Ų4760.6 Ų60.639%0.38833%0.331SS..Hα-helixtrans-62.6-48.1178.500000112.1S97 M98 L99 A103 G104 I148S97-A101 PolarHBondContact O-N 3.43Å; M98-A101 PolarHBondContact O-N 3.11Å; L99-A101 VanDerWaalsContact C-N 3.35Å; L99-A101 PolarHBondContact O-N 3.29Å; A101-A103 VanDerWaalsContact C-N 3.26Å; A101-A103 PolarHBondContact O-N 2.89Å; A101-G104 PolarHBondContact O-N 2.95Å; A101-I148 HydrophobicContact CB-CD1 3.91Å; A101-I148 HydrophobicContact CB-CG1 4.05Å; A101-I148 HydrophobicContact CB-CG2 4.32Å
102K97.6Very high96.9Very high163 Ų16366.2 Ų66.271%0.70935%0.349SS*.Hα-helixtrans-59.4-36.1178-77.5-174.6174.2-169.70112.8M98 L99 G104M98-K102 HydrophobicContact CG-CD 4.38Å; M98-K102 WeakPolarHBondContact O-CB 3.09Å; M98-K102 WeakPolarHBondContact O-CG 3.43Å; M98-K102 PolarHBondContact O-N 3.01Å; L99-K102 PolarHBondContact O-N 3.08Å; K102-G104 VanDerWaalsContact C-N 3.28Å
103A97.5Very high96.9Very high61 Ų6170 Ų7050%0.50437%0.365SS..THydrogen-bonded Turntrans-83.50.2177.500000113.7L99 I100 A101 K105L99-A103 WeakPolarHBondContact O-CB 3.43Å; L99-A103 PolarHBondContact O-N 3.05Å; I100-A103 PolarHBondContact O-N 2.98Å; A101-A103 VanDerWaalsContact C-N 3.26Å; A101-A103 PolarHBondContact O-N 2.89Å; A103-K105 HydrophobicContact CB-CG 3.84Å; A103-K105 PolarHBondContact O-N 2.61Å
104G96.5Very high96.9Very high68 Ų6872.8 Ų72.870%0.70138%0.378SS*.THydrogen-bonded Turntrans60.929.3-178.400000113.7I100 A101 K102I100-G104 PolarHBondContact O-N 3.19Å; A101-G104 PolarHBondContact O-N 2.95Å; K102-G104 VanDerWaalsContact C-N 3.28Å
105K97.5Very high96.8Very high111 Ų11170.6 Ų70.648%0.48337%0.371SS..  trans-87.9151.6-175.7-63.6-57.8179.7-173.40111.6I100 A103 I109I100-K105 HydrophobicContact CG2-CB 4.15Å; I100-K105 WeakPolarHBondContact CG2-O 3.45Å; I100-K105 PolarHBondContact O-N 3.42Å; A103-K105 HydrophobicContact CB-CG 3.84Å; A103-K105 PolarHBondContact O-N 2.61Å; K105-I109 HydrophobicContact CB-CD1 4.02Å; K105-I109 HydrophobicContact CB-CG2 4.16Å; K105-I109 HydrophobicContact CD-CD1 4.39Å; K105-I109 HydrophobicContact CG-CD1 4.1Å
106P96.9Very high96.7Very high79 Ų7965.7 Ų65.751%0.51336%0.362SS..  trans-63.1142.6177.626.6-34.9000110.8T108 I109P106-T108 PolarHBondContact O-N 3Å; P106-I109 VanDerWaalsContact O-CB 3.31Å; P106-I109 WeakPolarHBondContact O-CB 3.4Å; P106-I109 WeakPolarHBondContact O-CG2 3.4Å; P106-I109 PolarHBondContact O-N 3.45Å
107H96Very high96.6Very high58 Ų5866.8 Ų66.827%0.26938%0.375SS..THydrogen-bonded Turntrans-58.4-25.2-178.5-61.5166.7000113.6I109 N141 V144 Q145H107-I109 PolarHBondContact O-N 2.66Å; H107-N141 WeakPolarHBondContact CB-OD1 3.29Å; H107-V144 HydrophobicContact CB-CB 4.42Å; H107-V144 HydrophobicContact CB-CG1 4.16Å; H107-Q145 WeakPolarHBondContact ND1-CB 3.23Å
108T96.9Very high96.4Very high39 Ų3969 Ų6924%0.23939%0.386CS..THydrogen-bonded Turntrans-69.7-12.7176.257.90000113.8P106 G110 E111 K112 N141P106-T108 PolarHBondContact O-N 3Å; T108-G110 PolarHBondContact O-N 3.04Å; T108-E111 WeakPolarHBondContact O-CG 3.32Å; T108-E111 PolarHBondContact O-N 3.13Å; T108-K112 VanDerWaalsContact O-CB 3.3Å; T108-K112 WeakPolarHBondContact O-CB 3.45Å; T108-K112 WeakPolarHBondContact O-CG 3.41Å; T108-K112 PolarHBondContact O-N 3.19Å; T108-N141 HydrophobicContact CG2-CB 4.02Å
109I97Very high96.3Very high38 Ų3866.4 Ų66.420%0.19538%0.377CS..Hα-helixtrans-62.7-32.3-176.9-162.3169.4000112.3I100 K105 P106 H107 L113 M114I100-I109 HydrophobicContact CB-CG2 4.5Å; I100-I109 HydrophobicContact CD1-CG2 3.73Å; I100-I109 HydrophobicContact CG1-CG2 3.76Å; I100-I109 HydrophobicContact CG2-CG2 3.95Å; K105-I109 HydrophobicContact CB-CD1 4.02Å; K105-I109 HydrophobicContact CB-CG2 4.16Å; K105-I109 HydrophobicContact CD-CD1 4.39Å; K105-I109 HydrophobicContact CG-CD1 4.1Å; P106-I109 VanDerWaalsContact O-CB 3.31Å; P106-I109 WeakPolarHBondContact O-CB 3.4Å; P106-I109 WeakPolarHBondContact O-CG2 3.4Å; P106-I109 PolarHBondContact O-N 3.45Å; H107-I109 PolarHBondContact O-N 2.66Å; I109-L113 HydrophobicContact CD1-CD2 4.49Å; I109-L113 HydrophobicContact CG1-CB 4.22Å; I109-L113 HydrophobicContact CG1-CD2 4.29Å; I109-L113 PolarHBondContact O-N 3.44Å; I109-M114 HydrophobicContact CG2-SD 4.46Å; I109-M114 PolarHBondContact O-N 3.09Å; I109-M114 VanDerWaalsContact O-N 3.1Å
110G94.4Very high96.2Very high0 Ų066.8 Ų66.80%038%0.376CS..Iπ-helixtrans-57.6-58.5178.200000111.3T108 M114 M115 L139T108-G110 PolarHBondContact O-N 3.04Å; G110-M114 WeakPolarHBondContact O-CB 3.47Å; G110-M114 PolarHBondContact O-N 3.05Å; G110-M115 VanDerWaalsContact O-CG 3.32Å; G110-M115 WeakPolarHBondContact O-CG 3.3Å; G110-M115 PolarHBondContact O-N 3.48Å; G110-L139 CarbonylContact C-O 3.41Å
111E94.8Very high96.2Very high79 Ų7970.1 Ų70.137%0.36940%0.396SS..Iπ-helixtrans-72.1-35.7-18065.5-170.7-177.800113.9T108 P116 L139 S140 N141T108-E111 WeakPolarHBondContact O-CG 3.32Å; T108-E111 PolarHBondContact O-N 3.13Å; E111-P116 WeakPolarHBondContact O-CD 3Å; E111-L139 PolarHBondContact N-O 2.91Å; E111-L139 VanDerWaalsContact N-O 3.08Å; E111-S140 WeakPolarHBondContact OE2-CA 3.4Å; E111-N141 WeakPolarHBondContact OE1-CB 3.23Å; E111-N141 PolarHBondContact OE2-N 2.98Å
112K96.3Very high96.1Very high153 Ų15368.6 Ų68.667%0.66538%0.381SS*.Iπ-helixtrans-81.9-27.5-173.2-70.5-171.8176.9-176.90114.3T108T108-K112 VanDerWaalsContact O-CB 3.3Å; T108-K112 WeakPolarHBondContact O-CB 3.45Å; T108-K112 WeakPolarHBondContact O-CG 3.41Å; T108-K112 PolarHBondContact O-N 3.19Å
113L96Very high96Very high108 Ų10866 Ų6657%0.56537%0.372SS*.Iπ-helixtrans-131.4-50.4-172.7-178.163.2000112.5I109 P116 A117I109-L113 HydrophobicContact CD1-CD2 4.49Å; I109-L113 HydrophobicContact CG1-CB 4.22Å; I109-L113 HydrophobicContact CG1-CD2 4.29Å; I109-L113 PolarHBondContact O-N 3.44Å; L113-P116 WeakPolarHBondContact O-CD 3.19Å; L113-A117 VanDerWaalsContact O-CB 3.31Å; L113-A117 WeakPolarHBondContact O-CB 3.47Å; L113-A117 PolarHBondContact O-N 3.17Å
114M95.8Very high95.9Very high57 Ų5766.8 Ų66.828%0.28137%0.371SS..Iπ-helixtrans-68.2-42.4-173.4-55.5-175.178.400112.1I96 I100 I109 G110 A117 I118 L139I96-M114 HydrophobicContact CG2-CE 3.6Å; I96-M114 HydrophobicContact CG2-SD 3.75Å; I100-M114 HydrophobicContact CD1-SD 3.95Å; I100-M114 HydrophobicContact CG1-SD 4.09Å; I109-M114 HydrophobicContact CG2-SD 4.46Å; I109-M114 PolarHBondContact O-N 3.09Å; I109-M114 VanDerWaalsContact O-N 3.1Å; G110-M114 WeakPolarHBondContact O-CB 3.47Å; G110-M114 PolarHBondContact O-N 3.05Å; M114-A117 PolarHBondContact O-N 2.89Å; M114-I118 WeakPolarHBondContact O-CB 3.28Å; M114-I118 WeakPolarHBondContact O-CD1 3.31Å; M114-I118 WeakPolarHBondContact O-CG1 3.41Å; M114-I118 PolarHBondContact O-N 2.99Å; M114-L139 HydrophobicContact CB-CD1 4.33Å
115M94.6Very high95.9Very high35 Ų3568.5 Ų68.517%0.17237%0.367CS..Hα-helixtrans-64-48.5178.6-70.7-61.8-65.800112.5G110 A117 I118 A119 T134 I137 L139G110-M115 VanDerWaalsContact O-CG 3.32Å; G110-M115 WeakPolarHBondContact O-CG 3.3Å; G110-M115 PolarHBondContact O-N 3.48Å; M115-A117 PolarHBondContact O-N 3.06Å; M115-I118 PolarHBondContact O-N 3.12Å; M115-A119 WeakPolarHBondContact O-CB 3.22Å; M115-A119 PolarHBondContact O-N 2.88Å; M115-T134 HydrophobicContact CE-CG2 3.62Å; M115-I137 WeakPolarHBondContact CE-O 3.02Å; M115-L139 HydrophobicContact CG-CB 3.95Å; M115-L139 HydrophobicContact CG-CD1 4.27Å; M115-L139 HydrophobicContact SD-CB 4.04Å; M115-L139 HydrophobicContact SD-CD1 3.82Å; M115-L139 HydrophobicContact SD-CG 4.11Å
116P95.6Very high95.7Very high69 Ų6967.6 Ų67.645%0.44837%0.367SS..Hα-helixtrans-56.1-45.1170.7-27.934.7000113.4E111 L113 I118 A119 E120E111-P116 WeakPolarHBondContact O-CD 3Å; L113-P116 WeakPolarHBondContact O-CD 3.19Å; P116-I118 PolarHBondContact O-N 2.97Å; P116-A119 PolarHBondContact O-N 3.31Å; P116-E120 WeakPolarHBondContact O-CB 3.44Å; P116-E120 PolarHBondContact O-N 2.84Å
117A95.8Very high95.5Very high50 Ų5072.2 Ų72.241%0.41338%0.382SS..Hα-helixtrans-64-40.3-179.900000112.7L113 M114 M115 E120 V121L113-A117 VanDerWaalsContact O-CB 3.31Å; L113-A117 WeakPolarHBondContact O-CB 3.47Å; L113-A117 PolarHBondContact O-N 3.17Å; M114-A117 PolarHBondContact O-N 2.89Å; M115-A117 PolarHBondContact O-N 3.06Å; A117-E120 PolarHBondContact O-N 3.09Å; A117-V121 WeakPolarHBondContact O-CG2 3.43Å; A117-V121 PolarHBondContact O-N 3.19Å; A117-V121 VanDerWaalsContact O-N 3.11Å
118I95.1Very high95.2Very high47 Ų4774.6 Ų74.624%0.24139%0.393CS..Hα-helixtrans-65.4-41.9175.4-70.2164.4000110.4M114 M115 P116 V121 L122M114-I118 WeakPolarHBondContact O-CB 3.28Å; M114-I118 WeakPolarHBondContact O-CD1 3.31Å; M114-I118 WeakPolarHBondContact O-CG1 3.41Å; M114-I118 PolarHBondContact O-N 2.99Å; M115-I118 PolarHBondContact O-N 3.12Å; P116-I118 PolarHBondContact O-N 2.97Å; I118-V121 PolarHBondContact O-N 3.06Å; I118-L122 HydrophobicContact CG2-CD1 3.65Å; I118-L122 HydrophobicContact CG2-CG 4.35Å; I118-L122 WeakPolarHBondContact O-CB 3.35Å; I118-L122 WeakPolarHBondContact O-CD1 3.21Å; I118-L122 VanDerWaalsContact O-CG 3.22Å; I118-L122 WeakPolarHBondContact O-CG 3.48Å; I118-L122 PolarHBondContact O-N 3.27Å
119A94.9Very high94.9Very high21 Ų2177.4 Ų77.417%0.17441%0.407CS..Hα-helixtrans-61.7-46.6177.500000111.5M115 P116 V121 L122 E123 A130 T134M115-A119 WeakPolarHBondContact O-CB 3.22Å; M115-A119 PolarHBondContact O-N 2.88Å; P116-A119 PolarHBondContact O-N 3.31Å; A119-V121 PolarHBondContact O-N 2.89Å; A119-L122 PolarHBondContact O-N 3.39Å; A119-E123 WeakPolarHBondContact O-CG 3.45Å; A119-E123 PolarHBondContact O-N 3.49Å; A119-A130 HydrophobicContact CB-CB 3.77Å; A119-T134 HydrophobicContact CB-CG2 4.4Å
120E96.9Very high94.6Very high112 Ų11275.8 Ų75.852%0.52340%0.399SS..Hα-helixtrans-56.7-47.4177.1-171.566.7-153.400111.5P116 A117 L122 E123 T124P116-E120 WeakPolarHBondContact O-CB 3.44Å; P116-E120 PolarHBondContact O-N 2.84Å; A117-E120 PolarHBondContact O-N 3.09Å; E120-L122 PolarHBondContact O-N 3.24Å; E120-E123 PolarHBondContact O-N 2.93Å; E120-T124 HydrophobicContact CG-CG2 4.35Å; E120-T124 WeakPolarHBondContact O-CB 3.15Å; E120-T124 WeakPolarHBondContact O-CG2 3.48Å; E120-T124 PolarHBondContact O-N 3.15Å; E120-T124 PolarHBondContact O-OG1 3.37Å; E120-T124 WeakPolarHBondContact OE1-CG2 3.28Å
121V96.5Very high94.3Very high77 Ų7782.1 Ų82.147%0.46743%0.428SS..Hα-helixtrans-64.5-40.7178.9171.70000111.6A117 I118 A119 E123 V125 L126A117-V121 WeakPolarHBondContact O-CG2 3.43Å; A117-V121 PolarHBondContact O-N 3.19Å; A117-V121 VanDerWaalsContact O-N 3.11Å; I118-V121 PolarHBondContact O-N 3.06Å; A119-V121 PolarHBondContact O-N 2.89Å; V121-E123 VanDerWaalsContact C-N 3.35Å; V121-V125 HydrophobicContact CG1-CB 4.34Å; V121-V125 HydrophobicContact CG1-CG2 4.27Å; V121-V125 VanDerWaalsContact O-CB 3.28Å; V121-V125 WeakPolarHBondContact O-CB 3.49Å; V121-V125 PolarHBondContact O-N 3.05Å; V121-L126 PolarHBondContact O-N 3.38Å
122L94.8Very high93.9Very high15 Ų1582 Ų828%0.07943%0.43CS..Hα-helixtrans-64.8-40.3178.9-73.9164.9000111.9I118 A119 E120 L126 Q127 Q128 A130 V133I118-L122 HydrophobicContact CG2-CD1 3.65Å; I118-L122 HydrophobicContact CG2-CG 4.35Å; I118-L122 WeakPolarHBondContact O-CB 3.35Å; I118-L122 WeakPolarHBondContact O-CD1 3.21Å; I118-L122 VanDerWaalsContact O-CG 3.22Å; I118-L122 WeakPolarHBondContact O-CG 3.48Å; I118-L122 PolarHBondContact O-N 3.27Å; A119-L122 PolarHBondContact O-N 3.39Å; E120-L122 PolarHBondContact O-N 3.24Å; L122-L126 HydrophobicContact CD2-CD1 3.77Å; L122-L126 CarbonylContact O-C 3.53Å; L122-L126 WeakPolarHBondContact O-CB 3.31Å; L122-L126 PolarHBondContact O-N 3.03Å; L122-Q127 PolarHBondContact O-N 2.98Å; L122-Q128 PolarHBondContact O-N 3.19Å; L122-A130 HydrophobicContact CB-CB 4.06Å; L122-A130 HydrophobicContact CD1-CB 4.2Å; L122-V133 HydrophobicContact CD1-CB 3.65Å; L122-V133 HydrophobicContact CD1-CG1 3.88Å; L122-V133 HydrophobicContact CD1-CG2 4.02Å; L122-V133 HydrophobicContact CD2-CG2 4.09Å
123E96.5Very high93.4Very high108 Ų10876.9 Ų76.951%0.50541%0.411SS..Hα-helixtrans-78.1-42.9-178-72.2173.4-176.700112.1A119 E120 V121 Q127 A130A119-E123 WeakPolarHBondContact O-CG 3.45Å; A119-E123 PolarHBondContact O-N 3.49Å; E120-E123 PolarHBondContact O-N 2.93Å; V121-E123 VanDerWaalsContact C-N 3.35Å; E123-Q127 WeakPolarHBondContact O-CA 3.46Å; E123-A130 HydrophobicContact CG-CB 3.91Å; E123-A130 WeakPolarHBondContact OE1-CB 3.45Å
124T95.9Very high93Very high79 Ų7973 Ų7349%0.48539%0.392SS..Hα-helixtrans-83.3-46.8-175.657.80000113.6E120E120-T124 HydrophobicContact CG-CG2 4.35Å; E120-T124 WeakPolarHBondContact O-CB 3.15Å; E120-T124 WeakPolarHBondContact O-CG2 3.48Å; E120-T124 PolarHBondContact O-N 3.15Å; E120-T124 PolarHBondContact O-OG1 3.37Å; E120-T124 WeakPolarHBondContact OE1-CG2 3.28Å
125V95.4Very high92.7Very high104 Ų10478.5 Ų78.563%0.6341%0.41SS*.THydrogen-bonded Turntrans-89.5-44.7-173.1-176.40000110.7V121V121-V125 HydrophobicContact CG1-CB 4.34Å; V121-V125 HydrophobicContact CG1-CG2 4.27Å; V121-V125 VanDerWaalsContact O-CB 3.28Å; V121-V125 WeakPolarHBondContact O-CB 3.49Å; V121-V125 PolarHBondContact O-N 3.05Å
126L93.6Very high92.4Very high91 Ų9180.3 Ų80.348%0.47642%0.417SS..SBendtrans-95.2-11.9-174.5-61.7176.5000113.3V121 L122 Q128V121-L126 PolarHBondContact O-N 3.38Å; L122-L126 HydrophobicContact CD2-CD1 3.77Å; L122-L126 CarbonylContact O-C 3.53Å; L122-L126 WeakPolarHBondContact O-CB 3.31Å; L122-L126 PolarHBondContact O-N 3.03Å; L126-Q128 HydrophobicContact CB-CB 4.37Å; L126-Q128 HydrophobicContact CB-CG 4.17Å; L126-Q128 WeakPolarHBondContact O-CG 3.46Å; L126-Q128 PolarHBondContact O-N 3.4Å; L126-Q128 VanDerWaalsContact O-N 3.13Å
127Q92.1Very high92.2Very high176 Ų17678.1 Ų78.182%0.82240%0.401SS*.  trans5134.6-176.4-57.3178.1800112.1L122 E123L122-Q127 PolarHBondContact O-N 2.98Å; E123-Q127 WeakPolarHBondContact O-CA 3.46Å
128Q91.4Very high91.9Very high108 Ų10878.1 Ų78.151%0.50540%0.398SS..  trans-105.7151.1179.9-74.7179.2-0.100110.1L122 L126 A130L122-Q128 PolarHBondContact O-N 3.19Å; L126-Q128 HydrophobicContact CB-CB 4.37Å; L126-Q128 HydrophobicContact CB-CG 4.17Å; L126-Q128 WeakPolarHBondContact O-CG 3.46Å; L126-Q128 PolarHBondContact O-N 3.4Å; L126-Q128 VanDerWaalsContact O-N 3.13Å; Q128-A130 PolarHBondContact O-N 2.91Å
129N90.4Very high91.9Very high99 Ų9976 Ų7653%0.52939%0.387SS..  trans-65.9105.9172.1-171.4-21.3000109.8H131 D132N129-H131 PolarHBondContact O-N 3.06Å; N129-H131 VanDerWaalsContact O-N 3.09Å; N129-H131 WeakPolarHBondContact OD1-CB 3.38Å; N129-H131 PolarHBondContact OD1-N 2.96Å; N129-D132 PolarHBondContact O-N 3.4Å
130A90Very high91.9Very high3 Ų377 Ų773%0.02539%0.393CS..Hα-helixtrans-56.9-28.8179.500000112.3A119 L122 E123 Q128 D132 V133 T134A119-A130 HydrophobicContact CB-CB 3.77Å; L122-A130 HydrophobicContact CB-CB 4.06Å; L122-A130 HydrophobicContact CD1-CB 4.2Å; E123-A130 HydrophobicContact CG-CB 3.91Å; E123-A130 WeakPolarHBondContact OE1-CB 3.45Å; Q128-A130 PolarHBondContact O-N 2.91Å; A130-D132 PolarHBondContact O-N 3.25Å; A130-V133 PolarHBondContact O-N 2.94Å; A130-T134 HydrophobicContact CB-CG2 4.43Å; A130-T134 WeakPolarHBondContact O-CB 3.39Å; A130-T134 VanDerWaalsContact O-CG2 3.24Å; A130-T134 WeakPolarHBondContact O-CG2 3.44Å; A130-T134 PolarHBondContact O-N 2.87Å; A130-T134 PolarHBondContact O-OG1 3.3Å
131H88.4Confident91.7Very high133 Ų13374.2 Ų74.262%0.61638%0.382SS*.Hα-helixtrans-62.2-29-176.4-138.5-56.9000112.9N129 T134 R135N129-H131 PolarHBondContact O-N 3.06Å; N129-H131 VanDerWaalsContact O-N 3.09Å; N129-H131 WeakPolarHBondContact OD1-CB 3.38Å; N129-H131 PolarHBondContact OD1-N 2.96Å; H131-T134 VanDerWaalsContact CA-OG1 3.31Å; H131-T134 WeakPolarHBondContact CA-OG1 3.33Å; H131-T134 PolarHBondContact O-OG1 3.03Å; H131-R135 WeakPolarHBondContact O-CB 3.49Å; H131-R135 PolarHBondContact O-N 3.22Å
132D86.1Confident91.5Very high78 Ų7875.4 Ų75.442%0.41739%0.389SS..Hα-helixtrans-74.7-33.1179.2-79.7-38.5000113.4N129 A130 R135 K136N129-D132 PolarHBondContact O-N 3.4Å; A130-D132 PolarHBondContact O-N 3.25Å; D132-R135 IonicContact OD1-NH2 2.71Å; D132-K136 WeakPolarHBondContact O-CD 3.4Å; D132-K136 WeakPolarHBondContact O-CE 3.33Å; D132-K136 WeakPolarHBondContact O-CG 3.24Å
133V86.3Confident91.4Very high44 Ų4475.7 Ų75.727%0.26739%0.391SS..Hα-helixtrans-85.5-48.2178.6-179.60000110.3L122 A130 R135 K136 I137L122-V133 HydrophobicContact CD1-CB 3.65Å; L122-V133 HydrophobicContact CD1-CG1 3.88Å; L122-V133 HydrophobicContact CD1-CG2 4.02Å; L122-V133 HydrophobicContact CD2-CG2 4.09Å; A130-V133 PolarHBondContact O-N 2.94Å; V133-R135 VanDerWaalsContact C-N 3.27Å; V133-R135 PolarHBondContact O-N 3.38Å; V133-K136 WeakPolarHBondContact O-CB 3.28Å; V133-K136 PolarHBondContact O-N 3.32Å; V133-I137 HydrophobicContact CG1-CD1 3.95Å; V133-I137 PolarHBondContact O-N 3.45Å
134T87.4Confident91.4Very high26 Ų2670.6 Ų70.616%0.1637%0.367CS..Hα-helixtrans-61.1-34.5-17954.60000112.3M115 A119 A130 H131 K136 I137M115-T134 HydrophobicContact CE-CG2 3.62Å; A119-T134 HydrophobicContact CB-CG2 4.4Å; A130-T134 HydrophobicContact CB-CG2 4.43Å; A130-T134 WeakPolarHBondContact O-CB 3.39Å; A130-T134 VanDerWaalsContact O-CG2 3.24Å; A130-T134 WeakPolarHBondContact O-CG2 3.44Å; A130-T134 PolarHBondContact O-N 2.87Å; A130-T134 PolarHBondContact O-OG1 3.3Å; H131-T134 VanDerWaalsContact CA-OG1 3.31Å; H131-T134 WeakPolarHBondContact CA-OG1 3.33Å; H131-T134 PolarHBondContact O-OG1 3.03Å; T134-K136 PolarHBondContact O-N 2.7Å; T134-I137 CarbonylContact O-C 3.5Å; T134-I137 PolarHBondContact O-N 3.42Å; T134-I137 VanDerWaalsContact O-O 3.05Å
135R88Confident91.4Very high174 Ų17470.9 Ų70.966%0.65736%0.363SS*.THydrogen-bonded Turntrans-60.8-32.8173.1-177.5178.864.9-168.9-10113H131 D132 V133H131-R135 WeakPolarHBondContact O-CB 3.49Å; H131-R135 PolarHBondContact O-N 3.22Å; D132-R135 IonicContact OD1-NH2 2.71Å; V133-R135 VanDerWaalsContact C-N 3.27Å; V133-R135 PolarHBondContact O-N 3.38Å
136K88.7Confident91.3Very high73 Ų7371.2 Ų71.232%0.31735%0.353SS..THydrogen-bonded Turntrans-82.9-24.9-178.6-63.9169.3-176.9162.50112.1A85 G89 D132 V133 T134A85-K136 HydrophobicContact CB-CD 4Å; G89-K136 CarbonylContact C-O 3.5Å; G89-K136 WeakPolarHBondContact CA-O 3.35Å; D132-K136 WeakPolarHBondContact O-CD 3.4Å; D132-K136 WeakPolarHBondContact O-CE 3.33Å; D132-K136 WeakPolarHBondContact O-CG 3.24Å; V133-K136 WeakPolarHBondContact O-CB 3.28Å; V133-K136 PolarHBondContact O-N 3.32Å; T134-K136 PolarHBondContact O-N 2.7Å
137I92.1Very high91.4Very high22 Ų2267.3 Ų67.311%0.11333%0.332CS..SBendtrans-106.491.9-179.5-52.7177.7000109.4A92 I96 M115 V133 T134 L139A92-I137 HydrophobicContact CB-CD1 4.33Å; A92-I137 HydrophobicContact CB-CG1 4.47Å; I96-I137 HydrophobicContact CD1-CG2 4.31Å; M115-I137 WeakPolarHBondContact CE-O 3.02Å; V133-I137 HydrophobicContact CG1-CD1 3.95Å; V133-I137 PolarHBondContact O-N 3.45Å; T134-I137 CarbonylContact O-C 3.5Å; T134-I137 PolarHBondContact O-N 3.42Å; T134-I137 VanDerWaalsContact O-O 3.05Å; I137-L139 HydrophobicContact CG2-CD1 4.16Å; I137-L139 HydrophobicContact CG2-CG 4.03Å; I137-L139 PolarHBondContact O-N 3.33Å
138S90.5Very high91.6Very high50 Ų5059.9 Ų59.935%0.3530%0.298SS..  trans-83.1113.5176.7-179.70000111.6S93 T143S93-S138 PolarHBondContact OG-O 2.84Å; S138-T143 VanDerWaalsContact O-CG2 3.28Å; S138-T143 WeakPolarHBondContact O-CG2 3.41Å; S138-T143 PolarHBondContact OG-OG1 3.09Å
139L94.9Very high91.8Very high3 Ų358.8 Ų58.82%0.01630%0.296CS..  trans-120.627176.9-65.6175.3000113.1S93 I96 G110 E111 M114 M115 I137 V144S93-L139 WeakPolarHBondContact OG-CD2 3.4Å; I96-L139 HydrophobicContact CB-CD2 3.96Å; I96-L139 HydrophobicContact CD1-CD1 4.01Å; I96-L139 HydrophobicContact CG2-CD1 3.86Å; I96-L139 HydrophobicContact CG2-CD2 3.64Å; I96-L139 HydrophobicContact CG2-CG 4.44Å; G110-L139 CarbonylContact C-O 3.41Å; E111-L139 PolarHBondContact N-O 2.91Å; E111-L139 VanDerWaalsContact N-O 3.08Å; M114-L139 HydrophobicContact CB-CD1 4.33Å; M115-L139 HydrophobicContact CG-CB 3.95Å; M115-L139 HydrophobicContact CG-CD1 4.27Å; M115-L139 HydrophobicContact SD-CB 4.04Å; M115-L139 HydrophobicContact SD-CD1 3.82Å; M115-L139 HydrophobicContact SD-CG 4.11Å; I137-L139 HydrophobicContact CG2-CD1 4.16Å; I137-L139 HydrophobicContact CG2-CG 4.03Å; I137-L139 PolarHBondContact O-N 3.33Å; L139-V144 HydrophobicContact CB-CG2 4.39Å; L139-V144 HydrophobicContact CD2-CG2 4.22Å
140S93.7Very high92Very high43 Ų4356.2 Ų56.230%0.30129%0.288SS..  trans-57.7151.3171.759.10000111.4E111 V142 T143 V144E111-S140 WeakPolarHBondContact OE2-CA 3.4Å; S140-V142 VanDerWaalsContact C-N 3.26Å; S140-V142 PolarHBondContact O-N 2.89Å; S140-T143 WeakPolarHBondContact O-CA 3.45Å; S140-T143 WeakPolarHBondContact O-CB 3.39Å; S140-T143 PolarHBondContact O-N 3.29Å; S140-T143 VanDerWaalsContact OG-CB 3.23Å; S140-T143 WeakPolarHBondContact OG-CB 3.49Å; S140-T143 PolarHBondContact OG-N 3.06Å; S140-T143 PolarHBondContact OG-OG1 2.87Å; S140-V144 PolarHBondContact O-N 2.92Å
141N93.7Very high92.2Very high53 Ų5358.1 Ų58.128%0.28330%0.297SS..Hα-helixtrans-47.6-49.9178.6175.127.3000112.3H107 T108 E111 T143 V144 Q145H107-N141 WeakPolarHBondContact CB-OD1 3.29Å; T108-N141 HydrophobicContact CG2-CB 4.02Å; E111-N141 WeakPolarHBondContact OE1-CB 3.23Å; E111-N141 PolarHBondContact OE2-N 2.98Å; N141-T143 VanDerWaalsContact C-N 3.3Å; N141-T143 PolarHBondContact O-N 3.46Å; N141-V144 PolarHBondContact O-N 3.32Å; N141-Q145 WeakPolarHBondContact O-CB 3.3Å; N141-Q145 PolarHBondContact O-N 3.49Å
142V91.8Very high92.6Very high102 Ų10255.8 Ų55.862%0.61829%0.292SS*.Hα-helixtrans-63.3-36.8179.1-179.10000111.8S140 R146S140-V142 VanDerWaalsContact C-N 3.26Å; S140-V142 PolarHBondContact O-N 2.89Å; V142-R146 VanDerWaalsContact O-CB 3.32Å; V142-R146 WeakPolarHBondContact O-CB 3.31Å; V142-R146 PolarHBondContact O-N 3.31Å
143T93.1Very high93Very high21 Ų2155.7 Ų55.713%0.12929%0.288CS..Hα-helixtrans-71.6-43.6-180-65.70000111.7S138 S140 N141 R146 R147S138-T143 VanDerWaalsContact O-CG2 3.28Å; S138-T143 WeakPolarHBondContact O-CG2 3.41Å; S138-T143 PolarHBondContact OG-OG1 3.09Å; S140-T143 WeakPolarHBondContact O-CA 3.45Å; S140-T143 WeakPolarHBondContact O-CB 3.39Å; S140-T143 PolarHBondContact O-N 3.29Å; S140-T143 VanDerWaalsContact OG-CB 3.23Å; S140-T143 WeakPolarHBondContact OG-CB 3.49Å; S140-T143 PolarHBondContact OG-N 3.06Å; S140-T143 PolarHBondContact OG-OG1 2.87Å; N141-T143 VanDerWaalsContact C-N 3.3Å; N141-T143 PolarHBondContact O-N 3.46Å; T143-R146 PolarHBondContact O-N 2.94Å; T143-R147 HydrophobicContact CG2-CG 4.49Å; T143-R147 WeakPolarHBondContact O-CB 3.39Å; T143-R147 VanDerWaalsContact O-CG 3.24Å; T143-R147 WeakPolarHBondContact O-CG 3.16Å; T143-R147 PolarHBondContact O-N 2.83Å
144V95.7Very high93.3Very high0 Ų058.1 Ų58.10%030%0.299CS..Hα-helixtrans-61.1-50176.9172.20000109.7I100 H107 L139 S140 N141 R146 R147 I148I100-V144 HydrophobicContact CD1-CG1 3.95Å; I100-V144 HydrophobicContact CD1-CG2 4.15Å; I100-V144 HydrophobicContact CG2-CG1 4.22Å; H107-V144 HydrophobicContact CB-CB 4.42Å; H107-V144 HydrophobicContact CB-CG1 4.16Å; L139-V144 HydrophobicContact CB-CG2 4.39Å; L139-V144 HydrophobicContact CD2-CG2 4.22Å; S140-V144 PolarHBondContact O-N 2.92Å; N141-V144 PolarHBondContact O-N 3.32Å; V144-R146 PolarHBondContact O-N 3.22Å; V144-R147 PolarHBondContact O-N 3.17Å; V144-I148 HydrophobicContact CG1-CD1 3.74Å; V144-I148 HydrophobicContact CG1-CG1 4.49Å; V144-I148 WeakPolarHBondContact O-CG1 3.37Å; V144-I148 PolarHBondContact O-N 2.84Å
145Q95.8Very high93.7Very high85 Ų8561.2 Ų61.240%0.39732%0.319SS..Hα-helixtrans-53-56.2176-177.9174.520.900111.6H107 N141 R147 I148 D149H107-Q145 WeakPolarHBondContact ND1-CB 3.23Å; N141-Q145 WeakPolarHBondContact O-CB 3.3Å; N141-Q145 PolarHBondContact O-N 3.49Å; Q145-R147 PolarHBondContact O-N 3.4Å; Q145-I148 PolarHBondContact O-N 3.08Å; Q145-D149 VanDerWaalsContact O-CG 3.24Å; Q145-D149 PolarHBondContact O-N 3.29Å
146R94Very high94Very high112 Ų11259.4 Ų59.442%0.42332%0.317SS..Hα-helixtrans-56.7-38-178.5-175.3-17268.5135.41.5112.6V142 T143 V144 A150V142-R146 VanDerWaalsContact O-CB 3.32Å; V142-R146 WeakPolarHBondContact O-CB 3.31Å; V142-R146 PolarHBondContact O-N 3.31Å; T143-R146 PolarHBondContact O-N 2.94Å; V144-R146 PolarHBondContact O-N 3.22Å; R146-A150 VanDerWaalsContact O-CB 3.29Å; R146-A150 WeakPolarHBondContact O-CB 3.43Å; R146-A150 PolarHBondContact O-N 3.29Å
147R95Very high94.3Very high8 Ų860.5 Ų60.53%0.0332%0.324CS..Hα-helixtrans-70-41.3179.2-72.8168.9-173.2-119.712.9111.3L90 S93 Y94 S97 T143 V144 Q145 A150 M151L90-R147 PolarHBondContact O-NH1 2.93Å; S93-R147 PolarHBondContact OG-NE 3.05Å; S93-R147 VanDerWaalsContact OG-NE 3.13Å; S93-R147 PolarHBondContact OG-NH1 3.19Å; S93-R147 PolarHBondContact OG-NH2 3.37Å; Y94-R147 HydrophobicContact CD1-CB 4.01Å; Y94-R147 HydrophobicContact CD1-CG 4.09Å; Y94-R147 HydrophobicContact CE1-CB 3.86Å; Y94-R147 HydrophobicContact CE1-CG 3.82Å; Y94-R147 HydrophobicContact CE2-CG 4.23Å; Y94-R147 HydrophobicContact CG-CG 4.43Å; S97-R147 WeakPolarHBondContact OG-CD 3.46Å; T143-R147 HydrophobicContact CG2-CG 4.49Å; T143-R147 WeakPolarHBondContact O-CB 3.39Å; T143-R147 VanDerWaalsContact O-CG 3.24Å; T143-R147 WeakPolarHBondContact O-CG 3.16Å; T143-R147 PolarHBondContact O-N 2.83Å; V144-R147 PolarHBondContact O-N 3.17Å; Q145-R147 PolarHBondContact O-N 3.4Å; R147-A150 PolarHBondContact O-N 3.01Å; R147-M151 WeakPolarHBondContact O-CE 3.4Å; R147-M151 VanDerWaalsContact O-CG 3.31Å; R147-M151 WeakPolarHBondContact O-CG 3.44Å; R147-M151 PolarHBondContact O-N 2.99Å
148I96.5Very high94.3Very high20 Ų2062.1 Ų62.110%0.10334%0.335CS..Hα-helixtrans-61-50.5174.8-67.5167.6000109.5A101 V144 Q145 A150 M151 T152A101-I148 HydrophobicContact CB-CD1 3.91Å; A101-I148 HydrophobicContact CB-CG1 4.05Å; A101-I148 HydrophobicContact CB-CG2 4.32Å; V144-I148 HydrophobicContact CG1-CD1 3.74Å; V144-I148 HydrophobicContact CG1-CG1 4.49Å; V144-I148 WeakPolarHBondContact O-CG1 3.37Å; V144-I148 PolarHBondContact O-N 2.84Å; Q145-I148 PolarHBondContact O-N 3.08Å; I148-A150 VanDerWaalsContact C-N 3.29Å; I148-A150 PolarHBondContact O-N 2.92Å; I148-M151 HydrophobicContact CG1-CE 4.21Å; I148-M151 PolarHBondContact O-N 2.71Å; I148-M151 VanDerWaalsContact O-N 3.08Å; I148-T152 PolarHBondContact O-N 3.3Å; I148-T152 PolarHBondContact O-OG1 2.91Å
149D95.5Very high94.4Very high86 Ų8664.3 Ų64.346%0.4634%0.342SS..Hα-helixtrans-56.5-44.1177.9-60.6-21.8000111.5Q145 T152 K153Q145-D149 VanDerWaalsContact O-CG 3.24Å; Q145-D149 PolarHBondContact O-N 3.29Å; D149-T152 PolarHBondContact O-N 3.25Å; D149-K153 WeakPolarHBondContact O-CB 3.4Å; D149-K153 PolarHBondContact O-N 3Å
150A94Very high94.2Very high44 Ų4471.1 Ų71.136%0.36437%0.368SS..Hα-helixtrans-64.6-39.9177.500000112.8R146 R147 I148 N154R146-A150 VanDerWaalsContact O-CB 3.29Å; R146-A150 WeakPolarHBondContact O-CB 3.43Å; R146-A150 PolarHBondContact O-N 3.29Å; R147-A150 PolarHBondContact O-N 3.01Å; I148-A150 VanDerWaalsContact C-N 3.29Å; I148-A150 PolarHBondContact O-N 2.92Å; A150-N154 WeakPolarHBondContact O-CB 3.33Å; A150-N154 PolarHBondContact O-N 3.3Å
151M96.1Very high94.1Very high44 Ų4472 Ų7222%0.21737%0.373CS..Hα-helixtrans-67-44.3175.5-72.5-177.8-63.800111.1Y94 M98 R147 I148 K153 N154 T155Y94-M151 HydrophobicContact CD1-CG 4.03Å; Y94-M151 HydrophobicContact CD1-SD 3.96Å; Y94-M151 HydrophobicContact CE1-CG 4.22Å; M98-M151 HydrophobicContact CB-CE 4Å; M98-M151 HydrophobicContact CB-SD 4.02Å; R147-M151 WeakPolarHBondContact O-CE 3.4Å; R147-M151 VanDerWaalsContact O-CG 3.31Å; R147-M151 WeakPolarHBondContact O-CG 3.44Å; R147-M151 PolarHBondContact O-N 2.99Å; I148-M151 HydrophobicContact CG1-CE 4.21Å; I148-M151 PolarHBondContact O-N 2.71Å; I148-M151 VanDerWaalsContact O-N 3.08Å; M151-K153 PolarHBondContact O-N 3.22Å; M151-N154 PolarHBondContact O-N 3.4Å; M151-T155 PolarHBondContact O-N 3.15Å; M151-T155 PolarHBondContact O-OG1 2.9Å
152T95.8Very high94Very high84 Ų8474.4 Ų74.452%0.51538%0.384SS..Hα-helixtrans-58.2-48.9176.4-64.30000111.1I148 D149 N154 T155 E156I148-T152 PolarHBondContact O-N 3.3Å; I148-T152 PolarHBondContact O-OG1 2.91Å; D149-T152 PolarHBondContact O-N 3.25Å; T152-N154 VanDerWaalsContact C-N 3.34Å; T152-N154 PolarHBondContact O-N 3.49Å; T152-T155 PolarHBondContact O-N 2.89Å; T152-E156 PolarHBondContact O-N 3.19Å
153K94.5Very high93.9Very high76 Ų7673.1 Ų73.133%0.3337%0.373SS..Hα-helixtrans-59.4-44.3176.8-173.6179.4-172.4-179.10111.9E27 D149 M151 T155 E156 E157E27-K153 IonicContact OE1-NZ 3.24Å; E27-K153 PolarHBondContact OE1-NZ 2.87Å; E27-K153 IonicContact OE2-NZ 3.95Å; D149-K153 WeakPolarHBondContact O-CB 3.4Å; D149-K153 PolarHBondContact O-N 3Å; M151-K153 PolarHBondContact O-N 3.22Å; K153-T155 VanDerWaalsContact C-N 3.33Å; K153-T155 PolarHBondContact O-N 3.42Å; K153-E156 PolarHBondContact O-N 3.04Å; K153-E157 WeakPolarHBondContact CE-OE1 3.43Å; K153-E157 HydrophobicContact CG-CG 4.45Å; K153-E157 WeakPolarHBondContact O-CB 3.39Å; K153-E157 WeakPolarHBondContact O-CG 3.39Å; K153-E157 PolarHBondContact O-N 3.45Å
154N93.7Very high93.8Very high94 Ų9480.7 Ų80.750%0.50340%0.399SS..Hα-helixtrans-62.3-41.1177-179.785.8000111.9A150 M151 T152 T158A150-N154 WeakPolarHBondContact O-CB 3.33Å; A150-N154 PolarHBondContact O-N 3.3Å; M151-N154 PolarHBondContact O-N 3.4Å; T152-N154 VanDerWaalsContact C-N 3.34Å; T152-N154 PolarHBondContact O-N 3.49Å; N154-T158 VanDerWaalsContact O-CB 3.26Å; N154-T158 WeakPolarHBondContact O-CB 3.36Å; N154-T158 PolarHBondContact O-N 3.42Å; N154-T158 PolarHBondContact O-OG1 3.39Å
155T94.1Very high93.5Very high92 Ų9288.8 Ų88.856%0.56444%0.437SS*.Hα-helixtrans-64.5-43.2175.9-62.30000111.6M151 T152 K153 T158 L159M151-T155 PolarHBondContact O-N 3.15Å; M151-T155 PolarHBondContact O-OG1 2.9Å; T152-T155 PolarHBondContact O-N 2.89Å; K153-T155 VanDerWaalsContact C-N 3.33Å; K153-T155 PolarHBondContact O-N 3.42Å; T155-T158 PolarHBondContact O-N 3.24Å; T155-L159 WeakPolarHBondContact O-CB 3.26Å; T155-L159 PolarHBondContact O-N 2.79Å
156E95.1Very high93.2Very high135 Ų13593.6 Ų93.663%0.63145%0.452SS*.Hα-helixtrans-60.2-50.4175.4-177.1-176.9179.700111.4T152 K153 T158 L159 W160T152-E156 PolarHBondContact O-N 3.19Å; K153-E156 PolarHBondContact O-N 3.04Å; E156-T158 VanDerWaalsContact C-N 3.32Å; E156-T158 PolarHBondContact O-N 3.35Å; E156-L159 PolarHBondContact O-N 3.31Å; E156-W160 VanDerWaalsContact O-CB 3.27Å; E156-W160 WeakPolarHBondContact O-CB 3.27Å; E156-W160 PolarHBondContact O-N 2.89Å
157E94.1Very high93Very high96 Ų9697.9 Ų97.945%0.44948%0.477SS..Hα-helixtrans-60.2-42.2176.9-73.4173.9178.900111.6K153 W160 C161K153-E157 WeakPolarHBondContact CE-OE1 3.43Å; K153-E157 HydrophobicContact CG-CG 4.45Å; K153-E157 WeakPolarHBondContact O-CB 3.39Å; K153-E157 WeakPolarHBondContact O-CG 3.39Å; K153-E157 PolarHBondContact O-N 3.45Å; E157-W160 PolarHBondContact O-N 3.37Å; E157-C161 PolarHBondContact O-N 2.67Å; E157-C161 PolarHBondContact O-SG 2.89Å
158T93.2Very high92.7Very high56 Ų56103.1 Ų103.134%0.34450%0.5SS..Hα-helixtrans-62.4-48.4177.7-59.60000110.9N154 T155 E156 W160 C161 M162N154-T158 VanDerWaalsContact O-CB 3.26Å; N154-T158 WeakPolarHBondContact O-CB 3.36Å; N154-T158 PolarHBondContact O-N 3.42Å; N154-T158 PolarHBondContact O-OG1 3.39Å; T155-T158 PolarHBondContact O-N 3.24Å; E156-T158 VanDerWaalsContact C-N 3.32Å; E156-T158 PolarHBondContact O-N 3.35Å; T158-W160 VanDerWaalsContact C-N 3.33Å; T158-W160 PolarHBondContact O-N 2.84Å; T158-C161 PolarHBondContact O-N 3.3Å; T158-M162 HydrophobicContact CG2-CE 3.69Å; T158-M162 HydrophobicContact CG2-SD 4.29Å; T158-M162 VanDerWaalsContact O-CG 3.31Å; T158-M162 WeakPolarHBondContact O-CG 3.5Å; T158-M162 PolarHBondContact O-N 2.94Å
159L92.4Very high92.4Very high97 Ų97106.8 Ų106.851%0.50853%0.527SS..Hα-helixtrans-63-42.8178.5-179.463.8000110.9T155 E156 C161 M162 L163T155-L159 WeakPolarHBondContact O-CB 3.26Å; T155-L159 PolarHBondContact O-N 2.79Å; E156-L159 PolarHBondContact O-N 3.31Å; L159-C161 PolarHBondContact O-N 3.05Å; L159-M162 WeakPolarHBondContact O-CB 3.44Å; L159-M162 PolarHBondContact O-N 3.4Å; L159-L163 HydrophobicContact CD1-CD1 4.26Å; L159-L163 HydrophobicContact CD1-CG 4.25Å; L159-L163 HydrophobicContact CG-CD1 3.96Å; L159-L163 HydrophobicContact CG-CG 4.36Å; L159-L163 WeakPolarHBondContact O-CG 3.46Å; L159-L163 PolarHBondContact O-N 3.49Å
160W91.7Very high92.1Very high146 Ų146107.1 Ų107.155%0.55353%0.529SS*.Hα-helixtrans-60.9-45.2178.1-176.487.7000112.2E156 E157 T158 M162 L163 R164E156-W160 VanDerWaalsContact O-CB 3.27Å; E156-W160 WeakPolarHBondContact O-CB 3.27Å; E156-W160 PolarHBondContact O-N 2.89Å; E157-W160 PolarHBondContact O-N 3.37Å; T158-W160 VanDerWaalsContact C-N 3.33Å; T158-W160 PolarHBondContact O-N 2.84Å; W160-M162 VanDerWaalsContact C-N 3.33Å; W160-M162 PolarHBondContact O-N 2.81Å; W160-L163 PolarHBondContact O-N 3.44Å; W160-R164 HydrophobicContact CD2-CG 4.4Å; W160-R164 HydrophobicContact CZ2-CG 4.35Å; W160-R164 PolarHBondContact O-N 2.77Å; W160-R164 VanDerWaalsContact O-N 3.08Å
161C91.2Very high92.1Very high62 Ų62111.5 Ų111.542%0.41954%0.541SS..Hα-helixtrans-59.6-44.8174.4-720000111.3E157 T158 L159 L163 R164 E165E157-C161 PolarHBondContact O-N 2.67Å; E157-C161 PolarHBondContact O-SG 2.89Å; T158-C161 PolarHBondContact O-N 3.3Å; L159-C161 PolarHBondContact O-N 3.05Å; C161-L163 PolarHBondContact O-N 3.08Å; C161-R164 PolarHBondContact O-N 3.34Å; C161-E165 PolarHBondContact O-N 2.87Å
162M90.5Very high91.9Very high103 Ų103114.4 Ų114.451%0.50756%0.557SS.*Hα-helixtrans-61.8-42.4177.9-70.9176.8177.600112.7T158 L159 W160 R164 E165 R166T158-M162 HydrophobicContact CG2-CE 3.69Å; T158-M162 HydrophobicContact CG2-SD 4.29Å; T158-M162 VanDerWaalsContact O-CG 3.31Å; T158-M162 WeakPolarHBondContact O-CG 3.5Å; T158-M162 PolarHBondContact O-N 2.94Å; L159-M162 WeakPolarHBondContact O-CB 3.44Å; L159-M162 PolarHBondContact O-N 3.4Å; W160-M162 VanDerWaalsContact C-N 3.33Å; W160-M162 PolarHBondContact O-N 2.81Å; M162-R164 VanDerWaalsContact C-N 3.32Å; M162-R164 PolarHBondContact O-N 3.46Å; M162-E165 PolarHBondContact O-N 2.76Å; M162-R166 WeakPolarHBondContact O-CB 3.31Å; M162-R166 WeakPolarHBondContact O-CG 3Å; M162-R166 PolarHBondContact O-N 2.89Å
163L89.7Confident91.8Very high74 Ų74114.1 Ų114.139%0.38755%0.552SS.*Hα-helixtrans-70.5-26.6-179.9-71.1173.9000112.9L159 W160 C161 E165 F168L159-L163 HydrophobicContact CD1-CD1 4.26Å; L159-L163 HydrophobicContact CD1-CG 4.25Å; L159-L163 HydrophobicContact CG-CD1 3.96Å; L159-L163 HydrophobicContact CG-CG 4.36Å; L159-L163 WeakPolarHBondContact O-CG 3.46Å; L159-L163 PolarHBondContact O-N 3.49Å; W160-L163 PolarHBondContact O-N 3.44Å; C161-L163 PolarHBondContact O-N 3.08Å; L163-E165 VanDerWaalsContact C-N 3.35Å; L163-F168 HydrophobicContact CB-CE1 4.16Å; L163-F168 HydrophobicContact CD2-CD1 3.97Å; L163-F168 HydrophobicContact CD2-CE1 3.99Å; L163-F168 HydrophobicContact CD2-CG 4.32Å; L163-F168 HydrophobicContact CD2-CZ 4.33Å
164R91.7Very high91.8Very high181 Ų181116.4 Ų116.468%0.68356%0.564SS**Hα-helixtrans-73.7-27.5175-79.6-16970.3-160.44.3113.8W160 C161 M162W160-R164 HydrophobicContact CD2-CG 4.4Å; W160-R164 HydrophobicContact CZ2-CG 4.35Å; W160-R164 PolarHBondContact O-N 2.77Å; W160-R164 VanDerWaalsContact O-N 3.08Å; C161-R164 PolarHBondContact O-N 3.34Å; M162-R164 VanDerWaalsContact C-N 3.32Å; M162-R164 PolarHBondContact O-N 3.46Å
165E90.1Very high91.7Very high170 Ų170114.1 Ų114.179%0.79456%0.556SS**SBendtrans-94.4-1.7-177.6-66.4-179.2175.200112.7C161 M162 L163C161-E165 PolarHBondContact O-N 2.87Å; M162-E165 PolarHBondContact O-N 2.76Å; L163-E165 VanDerWaalsContact C-N 3.35Å
166R89.2Confident91.6Very high185 Ų185115.3 Ų115.370%0.69856%0.563SS**SBendtrans-126.9136.8-176.5-67.6-178.4176.2-142.8-2.2110.3M162M162-R166 WeakPolarHBondContact O-CB 3.31Å; M162-R166 WeakPolarHBondContact O-CG 3Å; M162-R166 PolarHBondContact O-N 2.89Å
167E89.9Confident91.4Very high203 Ų203112.4 Ų112.495%0.94955%0.552SS**  trans-74.9134.7162.9-64.8-175.8157.300108.6
168F88.3Confident91.2Very high117 Ų117114 Ų11451%0.51357%0.57SS.*  trans-140.6147174.562.4-80.6000108.4L163 L170L163-F168 HydrophobicContact CB-CE1 4.16Å; L163-F168 HydrophobicContact CD2-CD1 3.97Å; L163-F168 HydrophobicContact CD2-CE1 3.99Å; L163-F168 HydrophobicContact CD2-CG 4.32Å; L163-F168 HydrophobicContact CD2-CZ 4.33Å; F168-L170 HydrophobicContact CD2-CD1 4.05Å; F168-L170 HydrophobicContact CE2-CD1 3.58Å
169S89.2Confident91.1Very high98 Ų98114.7 Ų114.769%0.68559%0.588SS**  trans-101.6139.6173.451.20000109.6
170L90.4Very high90.8Very high93 Ų93118.3 Ų118.349%0.48761%0.608SS.*  trans-106.1126.9165-99.1126.6000108.1F168 A186 Y187 A188F168-L170 HydrophobicContact CD2-CD1 4.05Å; F168-L170 HydrophobicContact CE2-CD1 3.58Å; L170-A186 HydrophobicContact CD2-CB 3.68Å; L170-Y187 CarbonylContact C-O 3.6Å; L170-Y187 WeakPolarHBondContact CA-O 3.47Å; L170-A188 HydrophobicContact CG-CB 4.43Å
171Q93.3Very high90.9Very high135 Ų135117.3 Ų117.363%0.63161%0.61SS**EExtended strand (participates in β ladder)trans-87.4129.9169-177.1173.9-10.300108.5A186 Y187Q171-A186 CarbonylContact O-C 3.55Å; Q171-A186 WeakPolarHBondContact O-CA 3.35Å; Q171-Y187 PolarHBondContact N-O 3.38Å; Q171-Y187 PolarHBondContact O-N 3.38Å
172L93Very high90.8Very high105 Ų105117.7 Ų117.755%0.5561%0.613SS.*EExtended strand (participates in β ladder)trans-110.3132.5175.3-57.7177.4000108.4L184 V185 A186L172-L184 HydrophobicContact CB-CD1 4.1Å; L172-L184 HydrophobicContact CD1-CD2 4.42Å; L172-V185 CarbonylContact C-O 3.58Å; L172-V185 WeakPolarHBondContact CA-O 3.49Å; L172-A186 HydrophobicContact CD2-CB 3.47Å; L172-A186 VanDerWaalsContact CD2-CB 3.47Å
173D93.5Very high90.9Very high78 Ų78117 Ų11742%0.41761%0.611SS.*EExtended strand (participates in β ladder)trans-133.6139.6176.6-166.831000109.9V185 Y187D173-V185 PolarHBondContact N-O 3.46Å; D173-V185 PolarHBondContact O-N 3.31Å; D173-Y187 HydrophobicContact CB-CE2 3.69Å
174E94.3Very high91Very high124 Ų124119.2 Ų119.258%0.57962%0.623SS**EExtended strand (participates in β ladder)trans-96.8115.4178.2-173.3176.8-174.700109.4S182 L183E174-S182 WeakPolarHBondContact OE1-CB 3.41Å; E174-S182 PolarHBondContact OE1-OG 2.81Å; E174-L183 CarbonylContact C-O 3.41Å; E174-L183 WeakPolarHBondContact CA-O 3.34Å
175S92Very high91.1Very high47 Ų47112.8 Ų112.833%0.32960%0.603SS.*EExtended strand (participates in β ladder)trans-103.3136.1173.2-74.40000110.3S182 L183S175-S182 WeakPolarHBondContact O-CA 3.37Å; S175-L183 PolarHBondContact N-O 3.36Å; S175-L183 PolarHBondContact O-N 2.87Å
176T91.5Very high91.1Very high117 Ų117107.5 Ų107.572%0.71859%0.589SS**EExtended strand (participates in β ladder)trans-95.3136176.548.30000110.8
177L90.4Very high90.8Very high74 Ų74103.8 Ų103.839%0.38758%0.576SS.*EExtended strand (participates in β ladder)trans-97159.2172.6-66-179.8000110.9G179 E181 L183L177-G179 PolarHBondContact O-N 3.49Å; L177-E181 HydrophobicContact CB-CB 4.16Å; L177-E181 HydrophobicContact CD1-CB 4.4Å; L177-E181 PolarHBondContact N-O 3.21Å; L177-L183 HydrophobicContact CD1-CD1 3.43Å; L177-L183 VanDerWaalsContact CD1-CD1 3.43Å; L177-L183 HydrophobicContact CD1-CG 4.29Å; L177-L183 HydrophobicContact CD2-CD1 3.9Å; L177-L183 HydrophobicContact CG-CD1 3.68Å
178P90.5Very high90Very high128 Ų128100.7 Ų100.783%0.83159%0.585SS**THydrogen-bonded Turntrans-56.6123.9168.2-21.432.7000110.8
179G91.3Very high90.1Very high71 Ų7199.9 Ų99.973%0.73259%0.589SS**THydrogen-bonded Turntrans112.214.6-17900000115.9L177 E181L177-G179 PolarHBondContact O-N 3.49Å; G179-E181 PolarHBondContact O-N 2.75Å
180N86.1Confident90.2Very high173 Ų173100 Ų10093%0.92558%0.584SS**THydrogen-bonded Turntrans61.725.2-175.5-81.70.5000113.8
181E92.5Very high90.2Very high125 Ų125100.4 Ų100.458%0.58459%0.589SS**EExtended strand (participates in β ladder)trans-87.8137.7168-63-177.7171.100108.7L177 G179L177-E181 HydrophobicContact CB-CB 4.16Å; L177-E181 HydrophobicContact CD1-CB 4.4Å; L177-E181 PolarHBondContact N-O 3.21Å; G179-E181 PolarHBondContact O-N 2.75Å
182S89.9Confident90Very high70 Ų7098.4 Ų98.449%0.4959%0.587SS.*EExtended strand (participates in β ladder)trans-115145.2171.2700000111.6E174 S175E174-S182 WeakPolarHBondContact OE1-CB 3.41Å; E174-S182 PolarHBondContact OE1-OG 2.81Å; S175-S182 WeakPolarHBondContact O-CA 3.37Å
183L92.5Very high89.8Confident89 Ų8997.9 Ų97.947%0.46659%0.589SS.*EExtended strand (participates in β ladder)trans-122121.2-179-96.8161000108.2E174 S175 L177 V185E174-L183 CarbonylContact C-O 3.41Å; E174-L183 WeakPolarHBondContact CA-O 3.34Å; S175-L183 PolarHBondContact N-O 3.36Å; S175-L183 PolarHBondContact O-N 2.87Å; L177-L183 HydrophobicContact CD1-CD1 3.43Å; L177-L183 VanDerWaalsContact CD1-CD1 3.43Å; L177-L183 HydrophobicContact CD1-CG 4.29Å; L177-L183 HydrophobicContact CD2-CD1 3.9Å; L177-L183 HydrophobicContact CG-CD1 3.68Å; L183-V185 PolarHBondContact O-N 3.49Å
184L92.1Very high89.5Confident120 Ų12099.3 Ų99.363%0.62860%0.601SS**EExtended strand (participates in β ladder)trans-83.1110.3168.3-169.168.1000108.7L172L172-L184 HydrophobicContact CB-CD1 4.1Å; L172-L184 HydrophobicContact CD1-CD2 4.42Å
185V92.4Very high89.2Confident46 Ų4697.5 Ų97.528%0.27960%0.602SS.*EExtended strand (participates in β ladder)trans-94.8132.9176.9-170.50000108.8L172 D173 L183 Y187L172-V185 CarbonylContact C-O 3.58Å; L172-V185 WeakPolarHBondContact CA-O 3.49Å; D173-V185 PolarHBondContact N-O 3.46Å; D173-V185 PolarHBondContact O-N 3.31Å; L183-V185 PolarHBondContact O-N 3.49Å; V185-Y187 HydrophobicContact CB-CE2 3.95Å; V185-Y187 HydrophobicContact CG1-CD1 4.43Å; V185-Y187 HydrophobicContact CG1-CD2 4.45Å; V185-Y187 HydrophobicContact CG1-CE1 3.75Å; V185-Y187 HydrophobicContact CG1-CE2 3.77Å; V185-Y187 WeakPolarHBondContact CG1-OH 3.34Å
186A89.9Confident89Confident60 Ų60101.4 Ų101.450%0.49662%0.623SS.*EExtended strand (participates in β ladder)trans-112.8124.8178.800000109.8L170 Q171 L172L170-A186 HydrophobicContact CD2-CB 3.68Å; Q171-A186 CarbonylContact O-C 3.55Å; Q171-A186 WeakPolarHBondContact O-CA 3.35Å; L172-A186 HydrophobicContact CD2-CB 3.47Å; L172-A186 VanDerWaalsContact CD2-CB 3.47Å
187Y84.1Confident88.8Confident106 Ų106100.1 Ų100.142%0.41662%0.615SS.*EExtended strand (participates in β ladder)trans-111.2139.9176.6-46.6-92.9000108.5L170 Q171 D173 V185L170-Y187 CarbonylContact C-O 3.6Å; L170-Y187 WeakPolarHBondContact CA-O 3.47Å; Q171-Y187 PolarHBondContact N-O 3.38Å; Q171-Y187 PolarHBondContact O-N 3.38Å; D173-Y187 HydrophobicContact CB-CE2 3.69Å; V185-Y187 HydrophobicContact CB-CE2 3.95Å; V185-Y187 HydrophobicContact CG1-CD1 4.43Å; V185-Y187 HydrophobicContact CG1-CD2 4.45Å; V185-Y187 HydrophobicContact CG1-CE1 3.75Å; V185-Y187 HydrophobicContact CG1-CE2 3.77Å; V185-Y187 WeakPolarHBondContact CG1-OH 3.34Å
188A73.5Confident88.6Confident139 Ų139102.5 Ų102.5100%1.14964%0.636SS**  trans-1180175.600000110L170L170-A188 HydrophobicContact CG-CB 4.43Å

Retrieved 188 of 188 residues in 275.7 ms (Link to these results)

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