A0A077ZMH1_TRITR Loading...

Putative zinc finger protein

AlphaFold DB , UniProt , Accession A0A077ZMH1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 118 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
1M68.4Low75.4Confident219 Ų219108.8 Ų108.8100%1.07954%0.541SS*.  0-54.30-136.1165.6-177.900111.2H3 H4 D5M1-H3 PolarHBondContact O-N 3.12Å; M1-H4 PolarHBondContact O-N 3.24Å; M1-D5 PolarHBondContact O-N 2.8Å
2L76Confident75.3Confident121 Ų121109.4 Ų109.463%0.63455%0.547SS*.Hα-helixtrans-54.6-44.5177.7-65.6173.7000114.3H4 D5 L6L2-H4 PolarHBondContact O-N 3.3Å; L2-D5 PolarHBondContact O-N 3.34Å; L2-L6 WeakPolarHBondContact O-CB 3.49Å; L2-L6 VanDerWaalsContact O-CG 3.25Å; L2-L6 WeakPolarHBondContact O-CG 3.26Å; L2-L6 PolarHBondContact O-N 3.37Å
3H73.5Confident75.2Confident149 Ų149104.5 Ų104.569%0.6952%0.523SS*.Hα-helixtrans-59.3-44.6-179.2-173.2-72.8000112.9M1 L6 S7M1-H3 PolarHBondContact O-N 3.12Å; H3-L6 PolarHBondContact O-N 3.38Å; H3-S7 PolarHBondContact CE1-OG 3.2Å; H3-S7 PolarHBondContact ND1-OG 3.14Å; H3-S7 WeakPolarHBondContact O-CB 3.46Å; H3-S7 PolarHBondContact O-N 2.68Å; H3-S7 PolarHBondContact O-OG 3.15Å
4H77.3Confident74.9Confident145 Ų145106.1 Ų106.167%0.67153%0.533SS*.Hα-helixtrans-65.5-41.4178.7178.1-71.8000111.6M1 L2 L6 S7 A8M1-H4 PolarHBondContact O-N 3.24Å; L2-H4 PolarHBondContact O-N 3.3Å; H4-L6 VanDerWaalsContact C-N 3.31Å; H4-L6 PolarHBondContact O-N 3.36Å; H4-S7 PolarHBondContact O-N 3.06Å; H4-A8 WeakPolarHBondContact O-CB 2.75Å; H4-A8 PolarHBondContact O-N 2.72Å
5D78.5Confident75Confident77 Ų77103.4 Ų103.441%0.41254%0.543SS..Hα-helixtrans-63.3-38.6177-172.572.1000111.9M1 L2 R9M1-D5 PolarHBondContact O-N 2.8Å; L2-D5 PolarHBondContact O-N 3.34Å; D5-R9 WeakPolarHBondContact O-CB 3.16Å; D5-R9 VanDerWaalsContact O-CG 3.27Å; D5-R9 WeakPolarHBondContact O-CG 3.35Å; D5-R9 PolarHBondContact O-N 3.03Å; D5-R9 PolarHBondContact O-NE 3.37Å; D5-R9 IonicContact OD2-CZ 3.34Å; D5-R9 IonicContact OD2-NE 2.69Å; D5-R9 PolarHBondContact OD2-NE 2.83Å; D5-R9 IonicContact OD2-NH1 3.35Å; D5-R9 IonicContact OD2-NH2 2.72Å; D5-R9 PolarHBondContact OD2-NH2 2.97Å
6L73.6Confident75.3Confident61 Ų61101.4 Ų101.432%0.31954%0.536SS..Hα-helixtrans-66.9-48.4173.2-69.1169.7000111.9L2 H3 H4 A8 R9 Y10 E89L2-L6 WeakPolarHBondContact O-CB 3.49Å; L2-L6 VanDerWaalsContact O-CG 3.25Å; L2-L6 WeakPolarHBondContact O-CG 3.26Å; L2-L6 PolarHBondContact O-N 3.37Å; H3-L6 PolarHBondContact O-N 3.38Å; H4-L6 VanDerWaalsContact C-N 3.31Å; H4-L6 PolarHBondContact O-N 3.36Å; L6-A8 VanDerWaalsContact C-N 3.28Å; L6-A8 PolarHBondContact O-N 3.41Å; L6-R9 VanDerWaalsContact CD2-NH2 3.28Å; L6-R9 PolarHBondContact O-N 3.37Å; L6-Y10 HydrophobicContact CB-CD2 4.49Å; L6-Y10 HydrophobicContact CD2-CD2 4.32Å; L6-Y10 HydrophobicContact CD2-CE2 3.83Å; L6-Y10 WeakPolarHBondContact O-CD2 3.45Å; L6-Y10 PolarHBondContact O-N 2.97Å; L6-E89 WeakPolarHBondContact CD2-OE1 3.37Å; L6-E89 WeakPolarHBondContact CD2-OE2 3.33Å
7S76.8Confident75.6Confident45 Ų45105.6 Ų105.632%0.31555%0.552SS.*Hα-helixtrans-58.9-40.3178.7-61.50000112H3 H4 E11H3-S7 PolarHBondContact CE1-OG 3.2Å; H3-S7 PolarHBondContact ND1-OG 3.14Å; H3-S7 WeakPolarHBondContact O-CB 3.46Å; H3-S7 PolarHBondContact O-N 2.68Å; H3-S7 PolarHBondContact O-OG 3.15Å; H4-S7 PolarHBondContact O-N 3.06Å; S7-E11 PolarHBondContact O-N 3.32Å; S7-E11 VanDerWaalsContact O-N 3.09Å
8A77.6Confident75.9Confident57 Ų57103.8 Ų103.847%0.47155%0.546SS..Hα-helixtrans-69.6-39.8177.100000112.7H4 L6 Y10H4-A8 WeakPolarHBondContact O-CB 2.75Å; H4-A8 PolarHBondContact O-N 2.72Å; L6-A8 VanDerWaalsContact C-N 3.28Å; L6-A8 PolarHBondContact O-N 3.41Å; A8-Y10 VanDerWaalsContact C-N 3.32Å; A8-Y10 PolarHBondContact O-N 3.04Å
9R75Confident76.4Confident129 Ų12999.5 Ų99.549%0.48753%0.525SS..Hα-helixtrans-73.3-22.4179.7-73.3-173.9-60.2161.98.2114D5 L6 E89D5-R9 WeakPolarHBondContact O-CB 3.16Å; D5-R9 VanDerWaalsContact O-CG 3.27Å; D5-R9 WeakPolarHBondContact O-CG 3.35Å; D5-R9 PolarHBondContact O-N 3.03Å; D5-R9 PolarHBondContact O-NE 3.37Å; D5-R9 IonicContact OD2-CZ 3.34Å; D5-R9 IonicContact OD2-NE 2.69Å; D5-R9 PolarHBondContact OD2-NE 2.83Å; D5-R9 IonicContact OD2-NH1 3.35Å; D5-R9 IonicContact OD2-NH2 2.72Å; D5-R9 PolarHBondContact OD2-NH2 2.97Å; L6-R9 VanDerWaalsContact CD2-NH2 3.28Å; L6-R9 PolarHBondContact O-N 3.37Å; R9-E89 IonicContact CZ-OE1 3.34Å; R9-E89 IonicContact NH1-OE1 3.04Å; R9-E89 IonicContact NH2-OE1 3.98Å; R9-E89 PolarHBondContact NH2-OE1 3.09Å
10Y74.4Confident76.8Confident48 Ų4897.6 Ų97.619%0.18852%0.519CS..THydrogen-bonded Turntrans-116.919.3-178.6-61.7-56.5000113.6L6 A8 D12 I13 L14 T85 E89L6-Y10 HydrophobicContact CB-CD2 4.49Å; L6-Y10 HydrophobicContact CD2-CD2 4.32Å; L6-Y10 HydrophobicContact CD2-CE2 3.83Å; L6-Y10 WeakPolarHBondContact O-CD2 3.45Å; L6-Y10 PolarHBondContact O-N 2.97Å; A8-Y10 VanDerWaalsContact C-N 3.32Å; A8-Y10 PolarHBondContact O-N 3.04Å; Y10-D12 WeakPolarHBondContact CA-OD1 3.46Å; Y10-D12 PolarHBondContact O-N 3.12Å; Y10-I13 HydrophobicContact CD1-CD1 3.54Å; Y10-I13 HydrophobicContact CD1-CG1 4.16Å; Y10-I13 HydrophobicContact CE1-CD1 4.09Å; Y10-I13 PolarHBondContact O-N 3.05Å; Y10-I13 VanDerWaalsContact O-N 3.12Å; Y10-L14 WeakPolarHBondContact O-CB 3.41Å; Y10-L14 WeakPolarHBondContact O-CG 3.35Å; Y10-L14 PolarHBondContact O-N 3.27Å; Y10-T85 HydrophobicContact CD1-CG2 4.01Å; Y10-T85 HydrophobicContact CE1-CG2 3.04Å; Y10-T85 HydrophobicContact CE2-CG2 4.41Å; Y10-T85 WeakPolarHBondContact OH-CG2 3.34Å; Y10-E89 HydrophobicContact CE2-CG 4.45Å; Y10-E89 WeakPolarHBondContact CE2-OE1 3.46Å; Y10-E89 WeakPolarHBondContact CE2-OE2 3.31Å; Y10-E89 VanDerWaalsContact CZ-CD 3.44Å; Y10-E89 VanDerWaalsContact OH-CG 3.26Å; Y10-E89 WeakPolarHBondContact OH-CG 3.2Å; Y10-E89 PolarHBondContact OH-OE1 3.38Å; Y10-E89 PolarHBondContact OH-OE2 3.34Å
11E77.9Confident77.3Confident146 Ų14693 Ų9368%0.68250%0.495SS*.Hα-helixtrans-56.2-38.9175.3-173.4177.5-172.500111.1S7 L14 G15S7-E11 PolarHBondContact O-N 3.32Å; S7-E11 VanDerWaalsContact O-N 3.09Å; E11-L14 PolarHBondContact O-N 3.27Å; E11-G15 PolarHBondContact O-N 2.84Å
12D75.2Confident78.2Confident116 Ų11682.7 Ų82.762%0.6245%0.445SS*.Hα-helixtrans-60.4-45.5175.266.1-34.1000112.2Y10 V16Y10-D12 WeakPolarHBondContact CA-OD1 3.46Å; Y10-D12 PolarHBondContact O-N 3.12Å; D12-V16 WeakPolarHBondContact O-CG2 3.49Å; D12-V16 PolarHBondContact O-N 3.38Å
13I73.5Confident78.7Confident46 Ų4681 Ų8124%0.23644%0.435CS..Hα-helixtrans-71.7-41.5178.4-58.9-173.9000111.4Y10 G15 V16 F82 T85Y10-I13 HydrophobicContact CD1-CD1 3.54Å; Y10-I13 HydrophobicContact CD1-CG1 4.16Å; Y10-I13 HydrophobicContact CE1-CD1 4.09Å; Y10-I13 PolarHBondContact O-N 3.05Å; Y10-I13 VanDerWaalsContact O-N 3.12Å; I13-G15 PolarHBondContact O-N 3.49Å; I13-V16 WeakPolarHBondContact O-CB 3.38Å; I13-V16 PolarHBondContact O-N 3.22Å; I13-V16 VanDerWaalsContact O-N 3.07Å; I13-F82 HydrophobicContact CG2-CD2 4.47Å; I13-T85 HydrophobicContact CD1-CG2 4.4Å
14L71.2Confident79.2Confident127 Ų12777.3 Ų77.367%0.66542%0.421SS*.Hα-helixtrans-64.7-28178.6-70175000111.7Y10 E11Y10-L14 WeakPolarHBondContact O-CB 3.41Å; Y10-L14 WeakPolarHBondContact O-CG 3.35Å; Y10-L14 PolarHBondContact O-N 3.27Å; E11-L14 PolarHBondContact O-N 3.27Å
15G76Confident79.4Confident65 Ų6570.4 Ų70.467%0.6739%0.389SS*.THydrogen-bonded Turntrans-83.1-6.4173.600000114.9E11 I13 E17E11-G15 PolarHBondContact O-N 2.84Å; I13-G15 PolarHBondContact O-N 3.49Å; G15-E17 PolarHBondContact O-N 2.96Å
16V79.3Confident79.4Confident72 Ų7269.5 Ų69.544%0.43638%0.383SS..  trans-69.5115.51781770000109.4D12 I13 V18 L78D12-V16 WeakPolarHBondContact O-CG2 3.49Å; D12-V16 PolarHBondContact O-N 3.38Å; I13-V16 WeakPolarHBondContact O-CB 3.38Å; I13-V16 PolarHBondContact O-N 3.22Å; I13-V16 VanDerWaalsContact O-N 3.07Å; V16-V18 PolarHBondContact O-N 3.05Å; V16-L78 HydrophobicContact CG1-CD2 3.51Å
17E80.8Confident79.7Confident173 Ų17367.8 Ų67.881%0.80838%0.376SS*.  trans-69.7120.3167.4-171.6165.8-157.600108.8G15 P19G15-E17 PolarHBondContact O-N 2.96Å; E17-P19 VanDerWaalsContact O-CD 3.31Å; E17-P19 WeakPolarHBondContact O-CD 3.26Å
18V81.9Confident79.2Confident72 Ų7269.1 Ų69.144%0.43639%0.391SS..  trans-86.2115.8173.5179.70000107.2V16 S20 V22 I23 L78V16-V18 PolarHBondContact O-N 3.05Å; V18-S20 PolarHBondContact O-N 3.2Å; V18-V22 HydrophobicContact CG1-CB 4.18Å; V18-V22 HydrophobicContact CG1-CG1 4.36Å; V18-I23 HydrophobicContact CG1-CD1 4.24Å; V18-I23 HydrophobicContact CG1-CG1 4.1Å; V18-L78 HydrophobicContact CG1-CD1 4.42Å; V18-L78 HydrophobicContact CG2-CD2 4.46Å
19P84.4Confident78.4Confident23 Ų2369.7 Ų69.715%0.14940%0.395CS..  trans-54.9137.7174.5-28.738.2000111.6E17 W21 V22 E30E17-P19 VanDerWaalsContact O-CD 3.31Å; E17-P19 WeakPolarHBondContact O-CD 3.26Å; P19-W21 VanDerWaalsContact CB-CD1 3.44Å; P19-W21 HydrophobicContact CB-CD2 4.28Å; P19-W21 HydrophobicContact CB-CG 4.13Å; P19-W21 HydrophobicContact CB-CZ2 4.32Å; P19-W21 HydrophobicContact CG-CZ2 4.4Å; P19-W21 PolarHBondContact O-N 3.24Å; P19-W21 VanDerWaalsContact O-N 3.14Å; P19-V22 HydrophobicContact CB-CG2 4.05Å; P19-V22 HydrophobicContact CG-CG2 4.29Å; P19-V22 WeakPolarHBondContact O-CB 3.49Å; P19-V22 PolarHBondContact O-N 3.03Å; P19-E30 WeakPolarHBondContact CB-OE2 3.15Å
20S85.6Confident77.8Confident60 Ų6067.2 Ų67.242%0.4239%0.389SS..Hα-helixtrans-55.3-36.8-179.164.30000111.9V18 V22 I23 D24 S27V18-S20 PolarHBondContact O-N 3.2Å; S20-V22 PolarHBondContact O-N 3.21Å; S20-I23 PolarHBondContact O-N 3.28Å; S20-I23 VanDerWaalsContact O-N 3.11Å; S20-D24 PolarHBondContact O-N 3.29Å; S20-S27 VanDerWaalsContact CB-OG 3.31Å; S20-S27 WeakPolarHBondContact CB-OG 3.22Å; S20-S27 PolarHBondContact O-OG 3.1Å; S20-S27 PolarHBondContact OG-OG 2.82Å
21W87.1Confident77.5Confident2 Ų272.4 Ų72.41%0.00842%0.419CS..Hα-helixtrans-65.9-20.1-177.866.7-101.2000114P19 I23 D24 P25 S27 E30 L37 W59 L71 I74 A75P19-W21 VanDerWaalsContact CB-CD1 3.44Å; P19-W21 HydrophobicContact CB-CD2 4.28Å; P19-W21 HydrophobicContact CB-CG 4.13Å; P19-W21 HydrophobicContact CB-CZ2 4.32Å; P19-W21 HydrophobicContact CG-CZ2 4.4Å; P19-W21 PolarHBondContact O-N 3.24Å; P19-W21 VanDerWaalsContact O-N 3.14Å; W21-I23 VanDerWaalsContact C-N 3.34Å; W21-D24 VanDerWaalsContact CA-O 3.26Å; W21-D24 WeakPolarHBondContact CA-O 3.4Å; W21-D24 CarbonylContact O-C 3.35Å; W21-P25 WeakPolarHBondContact O-CA 3.48Å; W21-P25 VanDerWaalsContact O-N 3.11Å; W21-S27 WeakPolarHBondContact CA-OG 3.3Å; W21-S27 PolarHBondContact N-OG 3.39Å; W21-S27 VanDerWaalsContact N-OG 3.15Å; W21-E30 PolarHBondContact NE1-OE2 3.33Å; W21-L37 HydrophobicContact CB-CD2 3.94Å; W21-L37 HydrophobicContact CD2-CD2 4.19Å; W21-L37 HydrophobicContact CE3-CD2 4.38Å; W21-L37 HydrophobicContact CG-CD1 4.48Å; W21-L37 HydrophobicContact CG-CD2 3.99Å; W21-W59 AromaticContact CE3-CH2 3.86Å; W21-W59 HydrophobicContact CE3-CH2 3.86Å; W21-W59 AromaticContact CE3-CZ2 3.62Å; W21-W59 HydrophobicContact CE3-CZ2 3.62Å; W21-W59 AromaticContact CZ3-CH2 3.52Å; W21-W59 HydrophobicContact CZ3-CH2 3.52Å; W21-W59 AromaticContact CZ3-CZ2 3.51Å; W21-W59 HydrophobicContact CZ3-CZ2 3.51Å; W21-W59 HydrophobicContact CZ3-CZ3 4.34Å; W21-L71 HydrophobicContact CD2-CD2 4.06Å; W21-L71 HydrophobicContact CE3-CD2 3.8Å; W21-L71 HydrophobicContact CH2-CB 4.24Å; W21-L71 HydrophobicContact CH2-CD2 3.72Å; W21-L71 WeakPolarHBondContact CH2-O 3.15Å; W21-L71 HydrophobicContact CZ2-CD2 3.95Å; W21-L71 HydrophobicContact CZ3-CB 4.01Å; W21-L71 HydrophobicContact CZ3-CD2 3.64Å; W21-L71 HydrophobicContact CZ3-CG 4.42Å; W21-I74 HydrophobicContact CH2-CB 3.79Å; W21-I74 HydrophobicContact CH2-CG2 3.91Å; W21-I74 HydrophobicContact CZ2-CB 3.9Å; W21-I74 HydrophobicContact CZ2-CD1 4.08Å; W21-I74 HydrophobicContact CZ2-CG2 3.69Å; W21-A75 HydrophobicContact CH2-CB 4.39Å; W21-A75 HydrophobicContact CZ3-CB 4.2Å
22V87.3Confident77.2Confident3 Ų373.2 Ų73.22%0.01842%0.423CS..Hα-helixtrans-71.1-36.2176.4174.90000110.5V18 P19 S20 Y55 W59 A75 L78V18-V22 HydrophobicContact CG1-CB 4.18Å; V18-V22 HydrophobicContact CG1-CG1 4.36Å; P19-V22 HydrophobicContact CB-CG2 4.05Å; P19-V22 HydrophobicContact CG-CG2 4.29Å; P19-V22 WeakPolarHBondContact O-CB 3.49Å; P19-V22 PolarHBondContact O-N 3.03Å; S20-V22 PolarHBondContact O-N 3.21Å; V22-Y55 WeakPolarHBondContact O-CD2 3.03Å; V22-W59 PolarHBondContact O-NE1 3.48Å; V22-A75 HydrophobicContact CG1-CB 4.47Å; V22-L78 HydrophobicContact CB-CD1 4.42Å; V22-L78 HydrophobicContact CG1-CD1 4.23Å; V22-L78 HydrophobicContact CG2-CD1 3.73Å
23I85Confident77.6Confident86 Ų8669.3 Ų69.344%0.44140%0.402SS..Hα-helixtrans-87.2-42.6179.3-55.5-57.3000110.8V18 S20 W21 Y55V18-I23 HydrophobicContact CG1-CD1 4.24Å; V18-I23 HydrophobicContact CG1-CG1 4.1Å; S20-I23 PolarHBondContact O-N 3.28Å; S20-I23 VanDerWaalsContact O-N 3.11Å; W21-I23 VanDerWaalsContact C-N 3.34Å; I23-Y55 HydrophobicContact CD1-CD2 4.36Å; I23-Y55 HydrophobicContact CD1-CE2 3.8Å; I23-Y55 HydrophobicContact CG2-CE1 4.48Å; I23-Y55 WeakPolarHBondContact O-CB 3.39Å
24D84.7Confident78Confident71 Ų7172.6 Ų72.638%0.3842%0.416SS..  trans-125.893.7174.3-179.815.6000109.9S20 W21 L26 S27S20-D24 PolarHBondContact O-N 3.29Å; W21-D24 VanDerWaalsContact CA-O 3.26Å; W21-D24 WeakPolarHBondContact CA-O 3.4Å; W21-D24 CarbonylContact O-C 3.35Å; D24-L26 PolarHBondContact O-N 3.38Å; D24-L26 WeakPolarHBondContact OD1-CB 3.19Å; D24-L26 WeakPolarHBondContact OD1-CG 3.47Å; D24-L26 PolarHBondContact OD1-N 2.89Å; D24-S27 WeakPolarHBondContact O-CB 3.4Å; D24-S27 PolarHBondContact O-N 2.73Å; D24-S27 PolarHBondContact O-OG 3.11Å
25P80.8Confident78.9Confident0 Ų074.4 Ų74.40%042%0.421CS..THydrogen-bonded Turntrans-55-14.5175.4-25.432.9000114.6W21 L40 V50 F58 W59W21-P25 WeakPolarHBondContact O-CA 3.48Å; W21-P25 VanDerWaalsContact O-N 3.11Å; P25-L40 HydrophobicContact CB-CD2 3.63Å; P25-V50 HydrophobicContact CB-CG2 4.35Å; P25-V50 HydrophobicContact CG-CG1 4.16Å; P25-V50 HydrophobicContact CG-CG2 3.98Å; P25-F58 HydrophobicContact CB-CE1 4.36Å; P25-F58 HydrophobicContact CG-CD1 4.11Å; P25-F58 HydrophobicContact CG-CE1 4.03Å; P25-W59 HydrophobicContact CB-CZ2 4.39Å; P25-W59 HydrophobicContact CG-CZ2 3.96Å
26L78.9Confident79.5Confident57 Ų5773.1 Ų73.130%0.29840%0.398SS..THydrogen-bonded Turntrans-85.9-11.2175.7-45.9-179.3000113D24 Q41 K47D24-L26 PolarHBondContact O-N 3.38Å; D24-L26 WeakPolarHBondContact OD1-CB 3.19Å; D24-L26 WeakPolarHBondContact OD1-CG 3.47Å; D24-L26 PolarHBondContact OD1-N 2.89Å; L26-Q41 PolarHBondContact O-NE2 3.38Å; L26-K47 HydrophobicContact CD2-CB 3.94Å; L26-K47 HydrophobicContact CD2-CD 3.79Å; L26-K47 HydrophobicContact CD2-CG 3.46Å; L26-K47 VanDerWaalsContact CD2-CG 3.46Å
27S80.1Confident79.9Confident25 Ų2569.9 Ų69.918%0.17538%0.378CS..SBendtrans-75.2141.4177.177.70000110.8S20 W21 D24 Q41S20-S27 VanDerWaalsContact CB-OG 3.31Å; S20-S27 WeakPolarHBondContact CB-OG 3.22Å; S20-S27 PolarHBondContact O-OG 3.1Å; S20-S27 PolarHBondContact OG-OG 2.82Å; W21-S27 WeakPolarHBondContact CA-OG 3.3Å; W21-S27 PolarHBondContact N-OG 3.39Å; W21-S27 VanDerWaalsContact N-OG 3.15Å; D24-S27 WeakPolarHBondContact O-CB 3.4Å; D24-S27 PolarHBondContact O-N 2.73Å; D24-S27 PolarHBondContact O-OG 3.11Å; S27-Q41 PolarHBondContact O-NE2 2.96Å
28A66.8Low80.3Confident74 Ų7465.6 Ų65.661%0.61236%0.363SS*.  trans-73.3140.3-174.900000113.6
29A60.6Low80.6Confident68 Ų6868 Ų6856%0.56237%0.37SS*.  trans59.998.514400000120.1
30E63.1Low80.8Confident77 Ų7767 Ų6736%0.3636%0.363SS..  trans-98.4143.1136.1-129.375.3-125.100108.8P19 W21 E32P19-E30 WeakPolarHBondContact CB-OE2 3.15Å; W21-E30 PolarHBondContact NE1-OE2 3.33Å; E30-E32 VanDerWaalsContact C-N 3.31Å; E30-E32 PolarHBondContact O-N 2.85Å
31L66.9Low80.9Confident158 Ų15866.3 Ų66.383%0.82735%0.354SS*.G310 helixtrans-69.7-25.9-175-141.7112.3000113.3
32E72.9Confident80.9Confident163 Ų16369.8 Ų69.876%0.76238%0.382SS*.G310 helixtrans-74.8-25.9-169.1-66.4-176.1166.400114.4E30E30-E32 VanDerWaalsContact C-N 3.31Å; E30-E32 PolarHBondContact O-N 2.85Å
33L81.9Confident81Confident34 Ų3472.2 Ų72.218%0.17840%0.395CS..G310 helixtrans-131.133.3-175.3-66.8172.8000111.8E35 E36 L37 G70 L71 I74L33-E35 PolarHBondContact O-N 3.49Å; L33-E36 PolarHBondContact O-N 2.98Å; L33-L37 WeakPolarHBondContact O-CB 3.28Å; L33-L37 WeakPolarHBondContact O-CG 3.24Å; L33-L37 PolarHBondContact O-N 3.3Å; L33-G70 VanDerWaalsContact CD1-C 3.4Å; L33-L71 HydrophobicContact CB-CD2 3.86Å; L33-L71 HydrophobicContact CB-CG 4.4Å; L33-L71 HydrophobicContact CD1-CD2 3.59Å; L33-L71 HydrophobicContact CD1-CG 4.05Å; L33-L71 HydrophobicContact CG-CD2 4.4Å; L33-I74 HydrophobicContact CD1-CD1 3.57Å; L33-I74 HydrophobicContact CD1-CG1 4.49Å
34Q83.5Confident81.1Confident115 Ų11574.2 Ų74.254%0.53740%0.403SS..Hα-helixtrans-57.1-36.6-173.7-168.8173.611.200112.6V38Q34-V38 HydrophobicContact CG-CG2 4.28Å; Q34-V38 WeakPolarHBondContact O-CB 3.02Å; Q34-V38 WeakPolarHBondContact O-CG2 3.24Å; Q34-V38 PolarHBondContact O-N 3.33Å
35E88.8Confident81.3Confident164 Ų16476.9 Ų76.977%0.76641%0.413SS*.Hα-helixtrans-64.2-55.6178.1-65.2-179.7172.500111.8L33 L37 V38 E39L33-E35 PolarHBondContact O-N 3.49Å; E35-L37 VanDerWaalsContact C-N 3.29Å; E35-L37 PolarHBondContact O-N 3.28Å; E35-V38 PolarHBondContact O-N 2.95Å; E35-E39 WeakPolarHBondContact O-CG 3.47Å; E35-E39 PolarHBondContact O-N 3.2Å
36E89.4Confident81.7Confident38 Ų3877.5 Ų77.518%0.17842%0.416CS..Hα-helixtrans-59.6-39.2177.7-71.5-171.6-158.100111.7L33 L40 Y68 G70 L71L33-E36 PolarHBondContact O-N 2.98Å; E36-L40 VanDerWaalsContact O-CB 3.24Å; E36-L40 WeakPolarHBondContact O-CB 3.25Å; E36-L40 PolarHBondContact O-N 3.42Å; E36-Y68 HydrophobicContact CB-CD1 4.05Å; E36-Y68 HydrophobicContact CG-CD1 4.35Å; E36-Y68 VanDerWaalsContact OE2-CA 3.25Å; E36-Y68 WeakPolarHBondContact OE2-CA 3.19Å; E36-Y68 WeakPolarHBondContact OE2-CB 3.28Å; E36-G70 WeakPolarHBondContact OE1-CA 3.36Å; E36-G70 PolarHBondContact OE1-N 3.29Å; E36-G70 PolarHBondContact OE2-N 3.12Å; E36-G70 VanDerWaalsContact OE2-N 3.13Å; E36-L71 HydrophobicContact CB-CD1 3.7Å; E36-L71 HydrophobicContact CB-CG 3.91Å; E36-L71 WeakPolarHBondContact OE2-CG 3.42Å; E36-L71 PolarHBondContact OE2-N 3.46Å
37L88.3Confident82Confident4 Ų477.1 Ų77.12%0.02141%0.412CS..Hα-helixtrans-65.1-46178-78.1172.2000112.2W21 L33 E35 E39 L40 Q41 L71W21-L37 HydrophobicContact CB-CD2 3.94Å; W21-L37 HydrophobicContact CD2-CD2 4.19Å; W21-L37 HydrophobicContact CE3-CD2 4.38Å; W21-L37 HydrophobicContact CG-CD1 4.48Å; W21-L37 HydrophobicContact CG-CD2 3.99Å; L33-L37 WeakPolarHBondContact O-CB 3.28Å; L33-L37 WeakPolarHBondContact O-CG 3.24Å; L33-L37 PolarHBondContact O-N 3.3Å; E35-L37 VanDerWaalsContact C-N 3.29Å; E35-L37 PolarHBondContact O-N 3.28Å; L37-E39 VanDerWaalsContact C-N 3.33Å; L37-E39 PolarHBondContact O-N 3.27Å; L37-L40 PolarHBondContact O-N 2.94Å; L37-Q41 VanDerWaalsContact O-CB 3.3Å; L37-Q41 WeakPolarHBondContact O-CB 3.47Å; L37-Q41 VanDerWaalsContact O-CG 3.22Å; L37-Q41 WeakPolarHBondContact O-CG 3.43Å; L37-Q41 PolarHBondContact O-N 2.91Å; L37-L71 HydrophobicContact CD1-CD2 4.44Å; L37-L71 HydrophobicContact CD2-CD1 3.88Å; L37-L71 HydrophobicContact CD2-CD2 3.6Å; L37-L71 HydrophobicContact CD2-CG 4.43Å; L37-L71 HydrophobicContact CG-CD1 4.18Å; L37-L71 HydrophobicContact CG-CD2 3.73Å
38V87.8Confident82.3Confident83 Ų8377.8 Ų77.850%0.50342%0.423SS..Hα-helixtrans-64.7-41.2-179.9169.10000110.5Q34 E35 Q41 A42Q34-V38 HydrophobicContact CG-CG2 4.28Å; Q34-V38 WeakPolarHBondContact O-CB 3.02Å; Q34-V38 WeakPolarHBondContact O-CG2 3.24Å; Q34-V38 PolarHBondContact O-N 3.33Å; E35-V38 PolarHBondContact O-N 2.95Å; V38-Q41 PolarHBondContact O-N 3.29Å; V38-A42 WeakPolarHBondContact O-CB 3.29Å; V38-A42 PolarHBondContact O-N 3.13Å
39E89.7Confident83.3Confident122 Ų12277.2 Ų77.257%0.5741%0.407SS*.Hα-helixtrans-63.8-44175.5-73.1-174.2-175.800112.3E35 L37 Q41 A42 N43 Y68E35-E39 WeakPolarHBondContact O-CG 3.47Å; E35-E39 PolarHBondContact O-N 3.2Å; L37-E39 VanDerWaalsContact C-N 3.33Å; L37-E39 PolarHBondContact O-N 3.27Å; E39-Q41 VanDerWaalsContact C-N 3.34Å; E39-Q41 PolarHBondContact O-N 3.45Å; E39-A42 PolarHBondContact O-N 2.97Å; E39-N43 PolarHBondContact O-N 2.97Å; E39-Y68 HydrophobicContact CB-CE1 4.06Å
40L88.6Confident84.5Confident2 Ų274.6 Ų74.61%0.0138%0.383CS..Hα-helixtrans-61.8-43.1176.3-173153.9000111.1P25 E36 L37 N43 L46 F58 W59 Y68 L71P25-L40 HydrophobicContact CB-CD2 3.63Å; E36-L40 VanDerWaalsContact O-CB 3.24Å; E36-L40 WeakPolarHBondContact O-CB 3.25Å; E36-L40 PolarHBondContact O-N 3.42Å; L37-L40 PolarHBondContact O-N 2.94Å; L40-N43 PolarHBondContact O-N 2.91Å; L40-L46 HydrophobicContact CG-CD1 4.46Å; L40-F58 HydrophobicContact CD1-CE1 4.08Å; L40-F58 HydrophobicContact CD1-CZ 3.85Å; L40-F58 HydrophobicContact CD2-CZ 4.4Å; L40-F58 HydrophobicContact CG-CZ 4.25Å; L40-W59 HydrophobicContact CD1-CH2 4.13Å; L40-Y68 HydrophobicContact CB-CD1 4.46Å; L40-Y68 HydrophobicContact CB-CE1 4.06Å; L40-Y68 HydrophobicContact CD1-CD2 4.22Å; L40-Y68 HydrophobicContact CD1-CE2 4.4Å; L40-Y68 HydrophobicContact CD1-CG 4.36Å; L40-L71 HydrophobicContact CD1-CD1 3.9Å
41Q86Confident85.6Confident47 Ų4777.4 Ų77.422%0.2240%0.4CS..Hα-helixtrans-72.4-23177.2-72.7180-15.900113.7L26 S27 L37 V38 E39 N43 K47L26-Q41 PolarHBondContact O-NE2 3.38Å; S27-Q41 PolarHBondContact O-NE2 2.96Å; L37-Q41 VanDerWaalsContact O-CB 3.3Å; L37-Q41 WeakPolarHBondContact O-CB 3.47Å; L37-Q41 VanDerWaalsContact O-CG 3.22Å; L37-Q41 WeakPolarHBondContact O-CG 3.43Å; L37-Q41 PolarHBondContact O-N 2.91Å; V38-Q41 PolarHBondContact O-N 3.29Å; E39-Q41 VanDerWaalsContact C-N 3.34Å; E39-Q41 PolarHBondContact O-N 3.45Å; Q41-N43 VanDerWaalsContact C-N 3.26Å; Q41-K47 WeakPolarHBondContact O-CE 3.4Å; Q41-K47 PolarHBondContact O-NZ 3.47Å
42A87.6Confident86.7Confident74 Ų7478.2 Ų78.261%0.61240%0.397SS*.Hα-helixtrans-76.1-19.5171.900000111.9V38 E39 E44V38-A42 WeakPolarHBondContact O-CB 3.29Å; V38-A42 PolarHBondContact O-N 3.13Å; E39-A42 PolarHBondContact O-N 2.97Å; A42-E44 PolarHBondContact O-N 2.81Å
43N88.7Confident87.4Confident54 Ų5474.5 Ų74.529%0.28938%0.382SS..  trans-87.992.7-174.7-166.3-29000112.5E39 L40 Q41 E45 L46 K47E39-N43 PolarHBondContact O-N 2.97Å; L40-N43 PolarHBondContact O-N 2.91Å; Q41-N43 VanDerWaalsContact C-N 3.26Å; N43-E45 PolarHBondContact O-N 2.97Å; N43-E45 WeakPolarHBondContact OD1-CB 3.37Å; N43-E45 PolarHBondContact OD1-N 3.15Å; N43-E45 VanDerWaalsContact OD1-N 3.14Å; N43-L46 HydrophobicContact CB-CB 4.15Å; N43-L46 HydrophobicContact CB-CD1 3.95Å; N43-L46 HydrophobicContact CB-CG 3.99Å; N43-L46 PolarHBondContact O-N 2.92Å; N43-L46 PolarHBondContact OD1-N 3Å; N43-K47 WeakPolarHBondContact O-CG 3.21Å; N43-K47 PolarHBondContact O-N 2.87Å; N43-K47 VanDerWaalsContact O-N 3.12Å
44E87.9Confident87.7Confident128 Ų12874.4 Ų74.460%0.59839%0.39SS*.Hα-helixtrans-55.7-32.1177.6-67.4-59.4139.400113.8A42 K47 G48A42-E44 PolarHBondContact O-N 2.81Å; E44-K47 PolarHBondContact O-N 3.28Å; E44-K47 IonicContact OE1-NZ 2.8Å; E44-K47 PolarHBondContact OE1-NZ 2.8Å; E44-G48 PolarHBondContact O-N 2.88Å; E44-G48 VanDerWaalsContact O-N 3.12Å
45E89.3Confident87.8Confident128 Ų12872.2 Ų72.260%0.59838%0.377SS*.Hα-helixtrans-65.5-41.3177.1-165.2-163.8144.800111.1N43 G48 K49N43-E45 PolarHBondContact O-N 2.97Å; N43-E45 WeakPolarHBondContact OD1-CB 3.37Å; N43-E45 PolarHBondContact OD1-N 3.15Å; N43-E45 VanDerWaalsContact OD1-N 3.14Å; E45-G48 PolarHBondContact O-N 3.27Å; E45-K49 WeakPolarHBondContact O-CG 3.26Å; E45-K49 PolarHBondContact O-N 2.83Å; E45-K49 VanDerWaalsContact O-N 3.15Å; E45-K49 WeakPolarHBondContact OE1-CE 3.21Å; E45-K49 IonicContact OE1-NZ 3.74Å; E45-K49 PolarHBondContact OE1-NZ 3.42Å
46L88Confident87.7Confident13 Ų1369.8 Ų69.87%0.06837%0.365CS..Hα-helixtrans-69-38.1177-64.5-175.7000111.6L40 N43 G48 K49 V50 F58 I64 Y68L40-L46 HydrophobicContact CG-CD1 4.46Å; N43-L46 HydrophobicContact CB-CB 4.15Å; N43-L46 HydrophobicContact CB-CD1 3.95Å; N43-L46 HydrophobicContact CB-CG 3.99Å; N43-L46 PolarHBondContact O-N 2.92Å; N43-L46 PolarHBondContact OD1-N 3Å; L46-G48 VanDerWaalsContact C-N 3.28Å; L46-G48 PolarHBondContact O-N 3.45Å; L46-K49 HydrophobicContact CD2-CD 4.05Å; L46-K49 WeakPolarHBondContact O-CB 3.31Å; L46-K49 PolarHBondContact O-N 2.91Å; L46-V50 WeakPolarHBondContact O-CG2 3.41Å; L46-V50 PolarHBondContact O-N 3.37Å; L46-F58 HydrophobicContact CB-CE2 4.07Å; L46-F58 HydrophobicContact CD2-CE2 4.22Å; L46-I64 HydrophobicContact CD1-CD1 4.07Å; L46-I64 HydrophobicContact CD2-CD1 4Å; L46-Y68 HydrophobicContact CD1-CE2 3.62Å
47K86.4Confident87.7Confident49 Ų4970 Ų7021%0.21337%0.373CS..Hα-helixtrans-55.5-46.8173.2-56.2-165.2177.4154.70111.5L26 Q41 N43 E44 K49 V50 L51L26-K47 HydrophobicContact CD2-CB 3.94Å; L26-K47 HydrophobicContact CD2-CD 3.79Å; L26-K47 HydrophobicContact CD2-CG 3.46Å; L26-K47 VanDerWaalsContact CD2-CG 3.46Å; Q41-K47 WeakPolarHBondContact O-CE 3.4Å; Q41-K47 PolarHBondContact O-NZ 3.47Å; N43-K47 WeakPolarHBondContact O-CG 3.21Å; N43-K47 PolarHBondContact O-N 2.87Å; N43-K47 VanDerWaalsContact O-N 3.12Å; E44-K47 PolarHBondContact O-N 3.28Å; E44-K47 IonicContact OE1-NZ 2.8Å; E44-K47 PolarHBondContact OE1-NZ 2.8Å; K47-K49 VanDerWaalsContact C-N 3.29Å; K47-K49 PolarHBondContact O-N 2.98Å; K47-V50 PolarHBondContact O-N 2.83Å; K47-L51 WeakPolarHBondContact O-CG 3.34Å; K47-L51 PolarHBondContact O-N 3.31Å
48G86.1Confident87.7Confident38 Ų3869.8 Ų69.839%0.39237%0.372SS..Hα-helixtrans-59.9-38.3176.100000112.9E44 E45 L46 K52E44-G48 PolarHBondContact O-N 2.88Å; E44-G48 VanDerWaalsContact O-N 3.12Å; E45-G48 PolarHBondContact O-N 3.27Å; L46-G48 VanDerWaalsContact C-N 3.28Å; L46-G48 PolarHBondContact O-N 3.45Å; G48-K52 VanDerWaalsContact O-CB 3.26Å; G48-K52 WeakPolarHBondContact O-CB 3.45Å; G48-K52 PolarHBondContact O-N 3.39Å
49K87.3Confident87.8Confident63 Ų6365.8 Ų65.827%0.27435%0.349SS..Hα-helixtrans-67.2-43177.5-72174.7-171.8165.80112.6E45 L46 K47 K52 N53 F58E45-K49 WeakPolarHBondContact O-CG 3.26Å; E45-K49 PolarHBondContact O-N 2.83Å; E45-K49 VanDerWaalsContact O-N 3.15Å; E45-K49 WeakPolarHBondContact OE1-CE 3.21Å; E45-K49 IonicContact OE1-NZ 3.74Å; E45-K49 PolarHBondContact OE1-NZ 3.42Å; L46-K49 HydrophobicContact CD2-CD 4.05Å; L46-K49 WeakPolarHBondContact O-CB 3.31Å; L46-K49 PolarHBondContact O-N 2.91Å; K47-K49 VanDerWaalsContact C-N 3.29Å; K47-K49 PolarHBondContact O-N 2.98Å; K49-K52 PolarHBondContact O-N 3.31Å; K49-N53 PolarHBondContact O-N 3.13Å; K49-F58 HydrophobicContact CB-CD2 4.48Å
50V86.9Confident87.7Confident12 Ų1265.7 Ų65.77%0.07335%0.351CS..Hα-helixtrans-60.7-48.1176.1175.20000110.3P25 L46 K47 K52 G54 F58P25-V50 HydrophobicContact CB-CG2 4.35Å; P25-V50 HydrophobicContact CG-CG1 4.16Å; P25-V50 HydrophobicContact CG-CG2 3.98Å; L46-V50 WeakPolarHBondContact O-CG2 3.41Å; L46-V50 PolarHBondContact O-N 3.37Å; K47-V50 PolarHBondContact O-N 2.83Å; V50-K52 VanDerWaalsContact C-N 3.3Å; V50-K52 PolarHBondContact O-N 3.25Å; V50-G54 CarbonylContact O-C 3.58Å; V50-G54 WeakPolarHBondContact O-CA 3.38Å; V50-G54 PolarHBondContact O-N 3.24Å; V50-F58 HydrophobicContact CG2-CB 4.06Å; V50-F58 HydrophobicContact CG2-CD1 3.85Å; V50-F58 HydrophobicContact CG2-CD2 3.34Å; V50-F58 HydrophobicContact CG2-CE1 4.08Å; V50-F58 HydrophobicContact CG2-CE2 3.58Å; V50-F58 HydrophobicContact CG2-CG 3.47Å; V50-F58 VanDerWaalsContact CG2-CG 3.47Å; V50-F58 HydrophobicContact CG2-CZ 3.95Å
51L86.1Confident87.7Confident136 Ų13668.3 Ų68.371%0.71236%0.363SS*.Hα-helixtrans-63.8-35.4-179.8-69.5168.8000112.6K47K47-L51 WeakPolarHBondContact O-CG 3.34Å; K47-L51 PolarHBondContact O-N 3.31Å
52K88.8Confident87.8Confident176 Ų17675.4 Ų75.477%0.76539%0.388SS*.Hα-helixtrans-79-42.1-177.3-172177.8179.71790113.6G48 K49 V50G48-K52 VanDerWaalsContact O-CB 3.26Å; G48-K52 WeakPolarHBondContact O-CB 3.45Å; G48-K52 PolarHBondContact O-N 3.39Å; K49-K52 PolarHBondContact O-N 3.31Å; V50-K52 VanDerWaalsContact C-N 3.3Å; V50-K52 PolarHBondContact O-N 3.25Å
53N87.8Confident87.9Confident85 Ų8573.7 Ų73.746%0.45538%0.378SS..Hα-helixtrans-108.6-10.7-171.2-60.7-20.5000113.5K49 A57K49-N53 PolarHBondContact O-N 3.13Å; N53-A57 HydrophobicContact CB-CB 3.88Å; N53-A57 WeakPolarHBondContact O-CB 3.46Å
54G88.2Confident87.9Confident32 Ų3271.3 Ų71.333%0.3337%0.365SS..Hα-helixtrans79.5163.2-17100000113.4V50 Q56 F58V50-G54 CarbonylContact O-C 3.58Å; V50-G54 WeakPolarHBondContact O-CA 3.38Å; V50-G54 PolarHBondContact O-N 3.24Å; G54-Q56 PolarHBondContact O-N 3.4Å; G54-F58 WeakPolarHBondContact O-CB 3.27Å; G54-F58 PolarHBondContact O-N 3.11Å; G54-F58 VanDerWaalsContact O-N 3.11Å
55Y86.7Confident88Confident69 Ų6966.6 Ų66.627%0.27135%0.348SS..Hα-helixtrans-62.1-37.1-176.468-85.6000113.4V22 I23 F58 W59 L79V22-Y55 WeakPolarHBondContact O-CD2 3.03Å; I23-Y55 HydrophobicContact CD1-CD2 4.36Å; I23-Y55 HydrophobicContact CD1-CE2 3.8Å; I23-Y55 HydrophobicContact CG2-CE1 4.48Å; I23-Y55 WeakPolarHBondContact O-CB 3.39Å; Y55-F58 WeakPolarHBondContact O-CB 3.44Å; Y55-F58 PolarHBondContact O-N 3.04Å; Y55-W59 PolarHBondContact O-N 3.38Å; Y55-L79 HydrophobicContact CE2-CD2 4.2Å
56Q86.4Confident88.1Confident112 Ų11266.3 Ų66.352%0.52335%0.347SS..Hα-helixtrans-62.2-51.2-178.7-61.7172.2-11.500111.6G54 F58 L60 L79G54-Q56 PolarHBondContact O-N 3.4Å; Q56-F58 VanDerWaalsContact C-N 3.28Å; Q56-F58 PolarHBondContact O-N 3.14Å; Q56-L60 VanDerWaalsContact O-CG 3.28Å; Q56-L60 WeakPolarHBondContact O-CG 3.34Å; Q56-L60 PolarHBondContact O-N 3.19Å; Q56-L79 HydrophobicContact CG-CD2 4.45Å
57A88Confident88.3Confident42 Ų4269.2 Ų69.235%0.34737%0.368SS..Hα-helixtrans-68.6-31178.800000111.8N53 Q61N53-A57 HydrophobicContact CB-CB 3.88Å; N53-A57 WeakPolarHBondContact O-CB 3.46Å; A57-Q61 WeakPolarHBondContact O-CG 3.31Å
58F89.9Confident88.5Confident0 Ų067.8 Ų67.80%036%0.361CS..Hα-helixtrans-62-53.9174.1171.1-98.8000112P25 L40 L46 K49 V50 G54 Y55 Q56 L60 Q61 I64P25-F58 HydrophobicContact CB-CE1 4.36Å; P25-F58 HydrophobicContact CG-CD1 4.11Å; P25-F58 HydrophobicContact CG-CE1 4.03Å; L40-F58 HydrophobicContact CD1-CE1 4.08Å; L40-F58 HydrophobicContact CD1-CZ 3.85Å; L40-F58 HydrophobicContact CD2-CZ 4.4Å; L40-F58 HydrophobicContact CG-CZ 4.25Å; L46-F58 HydrophobicContact CB-CE2 4.07Å; L46-F58 HydrophobicContact CD2-CE2 4.22Å; K49-F58 HydrophobicContact CB-CD2 4.48Å; V50-F58 HydrophobicContact CG2-CB 4.06Å; V50-F58 HydrophobicContact CG2-CD1 3.85Å; V50-F58 HydrophobicContact CG2-CD2 3.34Å; V50-F58 HydrophobicContact CG2-CE1 4.08Å; V50-F58 HydrophobicContact CG2-CE2 3.58Å; V50-F58 HydrophobicContact CG2-CG 3.47Å; V50-F58 VanDerWaalsContact CG2-CG 3.47Å; V50-F58 HydrophobicContact CG2-CZ 3.95Å; G54-F58 WeakPolarHBondContact O-CB 3.27Å; G54-F58 PolarHBondContact O-N 3.11Å; G54-F58 VanDerWaalsContact O-N 3.11Å; Y55-F58 WeakPolarHBondContact O-CB 3.44Å; Y55-F58 PolarHBondContact O-N 3.04Å; Q56-F58 VanDerWaalsContact C-N 3.28Å; Q56-F58 PolarHBondContact O-N 3.14Å; F58-L60 VanDerWaalsContact C-N 3.27Å; F58-L60 PolarHBondContact O-N 3.42Å; F58-Q61 WeakPolarHBondContact O-CB 3.34Å; F58-Q61 WeakPolarHBondContact O-CG 3.17Å; F58-Q61 PolarHBondContact O-N 3.48Å; F58-Q61 VanDerWaalsContact O-N 3.12Å; F58-I64 HydrophobicContact CD2-CD1 4.33Å; F58-I64 HydrophobicContact CD2-CG1 4.32Å; F58-I64 HydrophobicContact CE1-CD1 4.24Å; F58-I64 HydrophobicContact CE1-CG1 4.34Å; F58-I64 HydrophobicContact CE1-CG2 4.28Å; F58-I64 HydrophobicContact CE2-CD1 3.51Å; F58-I64 HydrophobicContact CE2-CG1 3.96Å; F58-I64 HydrophobicContact CZ-CD1 3.46Å; F58-I64 VanDerWaalsContact CZ-CD1 3.46Å; F58-I64 HydrophobicContact CZ-CG1 3.97Å; F58-I64 HydrophobicContact CZ-CG2 4.49Å; F58-I64 WeakPolarHBondContact O-CG1 3.4Å
59W89.6Confident88.7Confident0 Ų069.4 Ų69.40%037%0.365CS..Hα-helixtrans-63.5-32.3-178.7-71.1119000112.9W21 V22 P25 L40 Y55 Q61 I64 L71 W72 A75 L79W21-W59 AromaticContact CE3-CH2 3.86Å; W21-W59 HydrophobicContact CE3-CH2 3.86Å; W21-W59 AromaticContact CE3-CZ2 3.62Å; W21-W59 HydrophobicContact CE3-CZ2 3.62Å; W21-W59 AromaticContact CZ3-CH2 3.52Å; W21-W59 HydrophobicContact CZ3-CH2 3.52Å; W21-W59 AromaticContact CZ3-CZ2 3.51Å; W21-W59 HydrophobicContact CZ3-CZ2 3.51Å; W21-W59 HydrophobicContact CZ3-CZ3 4.34Å; V22-W59 PolarHBondContact O-NE1 3.48Å; P25-W59 HydrophobicContact CB-CZ2 4.39Å; P25-W59 HydrophobicContact CG-CZ2 3.96Å; L40-W59 HydrophobicContact CD1-CH2 4.13Å; Y55-W59 PolarHBondContact O-N 3.38Å; W59-Q61 PolarHBondContact O-N 2.86Å; W59-I64 HydrophobicContact CE3-CG2 3.6Å; W59-I64 HydrophobicContact CZ3-CG2 3.73Å; W59-L71 HydrophobicContact CH2-CB 3.8Å; W59-L71 HydrophobicContact CH2-CD1 4.32Å; W59-L71 HydrophobicContact CZ3-CB 3.75Å; W59-W72 HydrophobicContact CB-CE3 4.21Å; W59-W72 HydrophobicContact CB-CZ3 3.98Å; W59-W72 WeakPolarHBondContact O-CZ3 3.23Å; W59-A75 HydrophobicContact CD2-CB 3.62Å; W59-A75 HydrophobicContact CE3-CB 3.85Å; W59-A75 HydrophobicContact CG-CB 3.92Å; W59-A75 HydrophobicContact CZ2-CB 4.47Å; W59-A75 HydrophobicContact CZ3-CB 4.38Å; W59-L79 HydrophobicContact CB-CD1 3.69Å; W59-L79 HydrophobicContact CG-CD1 4.08Å
60L87.1Confident88.8Confident120 Ų12067.4 Ų67.463%0.62836%0.362SS*.THydrogen-bonded Turntrans-73.1-2.7178.5-68172.4000114.1Q56 F58 W72Q56-L60 VanDerWaalsContact O-CG 3.28Å; Q56-L60 WeakPolarHBondContact O-CG 3.34Å; Q56-L60 PolarHBondContact O-N 3.19Å; F58-L60 VanDerWaalsContact C-N 3.27Å; F58-L60 PolarHBondContact O-N 3.42Å; L60-W72 HydrophobicContact CD2-CH2 4.14Å
61Q88.6Confident88.9Confident57 Ų5766.8 Ų66.827%0.26636%0.359SS..  trans-73.1131.6176.3-65.3-177.2-6.400111.2A57 F58 W59 G63 I64 A65A57-Q61 WeakPolarHBondContact O-CG 3.31Å; F58-Q61 WeakPolarHBondContact O-CB 3.34Å; F58-Q61 WeakPolarHBondContact O-CG 3.17Å; F58-Q61 PolarHBondContact O-N 3.48Å; F58-Q61 VanDerWaalsContact O-N 3.12Å; W59-Q61 PolarHBondContact O-N 2.86Å; Q61-G63 PolarHBondContact O-N 3.49Å; Q61-I64 HydrophobicContact CB-CB 4.48Å; Q61-I64 HydrophobicContact CB-CG1 4.02Å; Q61-I64 PolarHBondContact O-N 3.47Å; Q61-A65 PolarHBondContact O-N 3.2Å
62R88.4Confident89.2Confident195 Ų19562.6 Ų62.674%0.73633%0.333SS*.Hα-helixtrans-55.1-38.5176.4-173.4175.9177175.42.2113I64 A65 E66R62-I64 VanDerWaalsContact C-N 3.29Å; R62-I64 PolarHBondContact O-N 3.34Å; R62-A65 PolarHBondContact O-N 3.36Å; R62-E66 WeakPolarHBondContact CG-OE1 3.18Å; R62-E66 IonicContact CZ-OE1 2.68Å; R62-E66 IonicContact NE-OE1 3.5Å; R62-E66 PolarHBondContact NE-OE1 3.09Å; R62-E66 IonicContact NH2-OE1 3.21Å; R62-E66 PolarHBondContact NH2-OE1 3.34Å; R62-E66 PolarHBondContact O-N 2.98Å; R62-E66 VanDerWaalsContact O-N 3.1Å
63G89.2Confident89.1Confident39 Ų3957.1 Ų57.140%0.40231%0.313SS..Hα-helixtrans-63.2-33.2178.300000113.5Q61 S67Q61-G63 PolarHBondContact O-N 3.49Å; G63-S67 VanDerWaalsContact O-CB 3.26Å; G63-S67 WeakPolarHBondContact O-CB 2.9Å; G63-S67 PolarHBondContact O-N 3.13Å; G63-S67 PolarHBondContact O-OG 3.33Å
64I89.3Confident89.1Confident4 Ų455.2 Ų55.22%0.02130%0.302CS..Hα-helixtrans-72.3-43.2176.5-61.3-58.3000110.3L46 F58 W59 Q61 R62 E66 S67 Y68L46-I64 HydrophobicContact CD1-CD1 4.07Å; L46-I64 HydrophobicContact CD2-CD1 4Å; F58-I64 HydrophobicContact CD2-CD1 4.33Å; F58-I64 HydrophobicContact CD2-CG1 4.32Å; F58-I64 HydrophobicContact CE1-CD1 4.24Å; F58-I64 HydrophobicContact CE1-CG1 4.34Å; F58-I64 HydrophobicContact CE1-CG2 4.28Å; F58-I64 HydrophobicContact CE2-CD1 3.51Å; F58-I64 HydrophobicContact CE2-CG1 3.96Å; F58-I64 HydrophobicContact CZ-CD1 3.46Å; F58-I64 VanDerWaalsContact CZ-CD1 3.46Å; F58-I64 HydrophobicContact CZ-CG1 3.97Å; F58-I64 HydrophobicContact CZ-CG2 4.49Å; F58-I64 WeakPolarHBondContact O-CG1 3.4Å; W59-I64 HydrophobicContact CE3-CG2 3.6Å; W59-I64 HydrophobicContact CZ3-CG2 3.73Å; Q61-I64 HydrophobicContact CB-CB 4.48Å; Q61-I64 HydrophobicContact CB-CG1 4.02Å; Q61-I64 PolarHBondContact O-N 3.47Å; R62-I64 VanDerWaalsContact C-N 3.29Å; R62-I64 PolarHBondContact O-N 3.34Å; I64-E66 PolarHBondContact O-N 2.9Å; I64-S67 PolarHBondContact O-N 3.43Å; I64-Y68 HydrophobicContact CD1-CD2 4.05Å; I64-Y68 HydrophobicContact CD1-CE2 4.11Å; I64-Y68 HydrophobicContact CG2-CD2 4.32Å; I64-Y68 PolarHBondContact O-N 2.98Å
65A89.9Confident89Confident28 Ų2853.7 Ų53.723%0.23129%0.286CS..Hα-helixtrans-60.9-3217700000113.6Q61 R62 W72Q61-A65 PolarHBondContact O-N 3.2Å; R62-A65 PolarHBondContact O-N 3.36Å; A65-W72 VanDerWaalsContact CB-CD1 3.47Å; A65-W72 HydrophobicContact CB-CD2 4.07Å; A65-W72 HydrophobicContact CB-CG 3.8Å
66E91.7Very high89Confident122 Ų12255.2 Ų55.257%0.5729%0.292SS*.Hα-helixtrans-85.5-37.2178.5-69.7173.7-176.600112.6R62 I64R62-E66 WeakPolarHBondContact CG-OE1 3.18Å; R62-E66 IonicContact CZ-OE1 2.68Å; R62-E66 IonicContact NE-OE1 3.5Å; R62-E66 PolarHBondContact NE-OE1 3.09Å; R62-E66 IonicContact NH2-OE1 3.21Å; R62-E66 PolarHBondContact NH2-OE1 3.34Å; R62-E66 PolarHBondContact O-N 2.98Å; R62-E66 VanDerWaalsContact O-N 3.1Å; I64-E66 PolarHBondContact O-N 2.9Å
67S91Very high88.8Confident75 Ų7556.1 Ų56.152%0.52429%0.294SS..Hα-helixtrans-84.6-32.4-176.2-49.40000113.4G63 I64 P69G63-S67 VanDerWaalsContact O-CB 3.26Å; G63-S67 WeakPolarHBondContact O-CB 2.9Å; G63-S67 PolarHBondContact O-N 3.13Å; G63-S67 PolarHBondContact O-OG 3.33Å; I64-S67 PolarHBondContact O-N 3.43Å; S67-P69 VanDerWaalsContact C-CD 3.48Å; S67-P69 WeakPolarHBondContact O-CD 3.09Å
68Y91Very high88.6Confident18 Ų1855.9 Ų55.97%0.07129%0.286CS..  trans-129.465.8-175.4-52.2-74.2000110.2E36 E39 L40 L46 I64 G70 L71 W72E36-Y68 HydrophobicContact CB-CD1 4.05Å; E36-Y68 HydrophobicContact CG-CD1 4.35Å; E36-Y68 VanDerWaalsContact OE2-CA 3.25Å; E36-Y68 WeakPolarHBondContact OE2-CA 3.19Å; E36-Y68 WeakPolarHBondContact OE2-CB 3.28Å; E39-Y68 HydrophobicContact CB-CE1 4.06Å; L40-Y68 HydrophobicContact CB-CD1 4.46Å; L40-Y68 HydrophobicContact CB-CE1 4.06Å; L40-Y68 HydrophobicContact CD1-CD2 4.22Å; L40-Y68 HydrophobicContact CD1-CE2 4.4Å; L40-Y68 HydrophobicContact CD1-CG 4.36Å; L46-Y68 HydrophobicContact CD1-CE2 3.62Å; I64-Y68 HydrophobicContact CD1-CD2 4.05Å; I64-Y68 HydrophobicContact CD1-CE2 4.11Å; I64-Y68 HydrophobicContact CG2-CD2 4.32Å; I64-Y68 PolarHBondContact O-N 2.98Å; Y68-G70 VanDerWaalsContact C-N 3.33Å; Y68-G70 PolarHBondContact O-N 3.35Å; Y68-L71 PolarHBondContact O-N 2.84Å; Y68-W72 VanDerWaalsContact O-CB 3.24Å; Y68-W72 WeakPolarHBondContact O-CB 3.23Å; Y68-W72 PolarHBondContact O-N 2.98Å
69P91.1Very high88Confident72 Ų7257.7 Ų57.747%0.46830%0.296SS..Hα-helixtrans-66.2-33.1-17227.3-35.2000112.8S67 N73S67-P69 VanDerWaalsContact C-CD 3.48Å; S67-P69 WeakPolarHBondContact O-CD 3.09Å; P69-N73 VanDerWaalsContact O-CB 3.29Å; P69-N73 WeakPolarHBondContact O-CB 3.36Å; P69-N73 PolarHBondContact O-N 3.36Å
70G89.8Confident87.4Confident21 Ų2162.9 Ų62.922%0.21632%0.323CS..Hα-helixtrans-64.2-51.7176.700000111.1L33 E36 Y68 N73 I74L33-G70 VanDerWaalsContact CD1-C 3.4Å; E36-G70 WeakPolarHBondContact OE1-CA 3.36Å; E36-G70 PolarHBondContact OE1-N 3.29Å; E36-G70 PolarHBondContact OE2-N 3.12Å; E36-G70 VanDerWaalsContact OE2-N 3.13Å; Y68-G70 VanDerWaalsContact C-N 3.33Å; Y68-G70 PolarHBondContact O-N 3.35Å; G70-N73 PolarHBondContact O-N 3.31Å; G70-I74 PolarHBondContact O-N 3.18Å
71L89.2Confident86.6Confident0 Ų059.4 Ų59.40%031%0.312CS..Hα-helixtrans-63.7-45.9178.9-68.5174.5000111.4W21 L33 E36 L37 L40 W59 Y68 N73 I74 A75W21-L71 HydrophobicContact CD2-CD2 4.06Å; W21-L71 HydrophobicContact CE3-CD2 3.8Å; W21-L71 HydrophobicContact CH2-CB 4.24Å; W21-L71 HydrophobicContact CH2-CD2 3.72Å; W21-L71 WeakPolarHBondContact CH2-O 3.15Å; W21-L71 HydrophobicContact CZ2-CD2 3.95Å; W21-L71 HydrophobicContact CZ3-CB 4.01Å; W21-L71 HydrophobicContact CZ3-CD2 3.64Å; W21-L71 HydrophobicContact CZ3-CG 4.42Å; L33-L71 HydrophobicContact CB-CD2 3.86Å; L33-L71 HydrophobicContact CB-CG 4.4Å; L33-L71 HydrophobicContact CD1-CD2 3.59Å; L33-L71 HydrophobicContact CD1-CG 4.05Å; L33-L71 HydrophobicContact CG-CD2 4.4Å; E36-L71 HydrophobicContact CB-CD1 3.7Å; E36-L71 HydrophobicContact CB-CG 3.91Å; E36-L71 WeakPolarHBondContact OE2-CG 3.42Å; E36-L71 PolarHBondContact OE2-N 3.46Å; L37-L71 HydrophobicContact CD1-CD2 4.44Å; L37-L71 HydrophobicContact CD2-CD1 3.88Å; L37-L71 HydrophobicContact CD2-CD2 3.6Å; L37-L71 HydrophobicContact CD2-CG 4.43Å; L37-L71 HydrophobicContact CG-CD1 4.18Å; L37-L71 HydrophobicContact CG-CD2 3.73Å; L40-L71 HydrophobicContact CD1-CD1 3.9Å; W59-L71 HydrophobicContact CH2-CB 3.8Å; W59-L71 HydrophobicContact CH2-CD1 4.32Å; W59-L71 HydrophobicContact CZ3-CB 3.75Å; Y68-L71 PolarHBondContact O-N 2.84Å; L71-N73 VanDerWaalsContact C-N 3.27Å; L71-N73 PolarHBondContact O-N 3.25Å; L71-I74 PolarHBondContact O-N 3.27Å; L71-A75 WeakPolarHBondContact O-CB 3.36Å; L71-A75 PolarHBondContact O-N 2.78Å
72W90.7Very high85.4Confident47 Ų4763.7 Ų63.718%0.17833%0.33CS..Hα-helixtrans-58.2-40176.7169.9-123.6000112W59 L60 A65 Y68 I74 A75 R76W59-W72 HydrophobicContact CB-CE3 4.21Å; W59-W72 HydrophobicContact CB-CZ3 3.98Å; W59-W72 WeakPolarHBondContact O-CZ3 3.23Å; L60-W72 HydrophobicContact CD2-CH2 4.14Å; A65-W72 VanDerWaalsContact CB-CD1 3.47Å; A65-W72 HydrophobicContact CB-CD2 4.07Å; A65-W72 HydrophobicContact CB-CG 3.8Å; Y68-W72 VanDerWaalsContact O-CB 3.24Å; Y68-W72 WeakPolarHBondContact O-CB 3.23Å; Y68-W72 PolarHBondContact O-N 2.98Å; W72-I74 VanDerWaalsContact C-N 3.31Å; W72-I74 PolarHBondContact O-N 3.48Å; W72-A75 PolarHBondContact O-N 3.07Å; W72-R76 HydrophobicContact CD2-CB 4.03Å; W72-R76 HydrophobicContact CE3-CB 4.04Å; W72-R76 HydrophobicContact CH2-CB 3.91Å; W72-R76 HydrophobicContact CH2-CG 3.99Å; W72-R76 HydrophobicContact CZ2-CB 3.91Å; W72-R76 HydrophobicContact CZ2-CG 3.82Å; W72-R76 HydrophobicContact CZ3-CB 3.96Å; W72-R76 WeakPolarHBondContact O-CB 3.48Å; W72-R76 PolarHBondContact O-N 3.26Å
73N88.6Confident84.1Confident61 Ų6157.3 Ų57.333%0.32631%0.314SS..Hα-helixtrans-62.9-38.4-178.7-17245.6000112.5P69 G70 L71 R76 K77P69-N73 VanDerWaalsContact O-CB 3.29Å; P69-N73 WeakPolarHBondContact O-CB 3.36Å; P69-N73 PolarHBondContact O-N 3.36Å; G70-N73 PolarHBondContact O-N 3.31Å; L71-N73 VanDerWaalsContact C-N 3.27Å; L71-N73 PolarHBondContact O-N 3.25Å; N73-R76 PolarHBondContact OD1-NH2 2.97Å; N73-R76 VanDerWaalsContact OD1-NH2 3.13Å; N73-K77 WeakPolarHBondContact O-CG 3.32Å; N73-K77 PolarHBondContact O-N 2.98Å
74I86.2Confident82.9Confident46 Ų4658.8 Ų58.824%0.23632%0.318CS..Hα-helixtrans-75-50.4176.9-60.5173.9000110.2W21 L33 G70 L71 W72 R76 K77 L78W21-I74 HydrophobicContact CH2-CB 3.79Å; W21-I74 HydrophobicContact CH2-CG2 3.91Å; W21-I74 HydrophobicContact CZ2-CB 3.9Å; W21-I74 HydrophobicContact CZ2-CD1 4.08Å; W21-I74 HydrophobicContact CZ2-CG2 3.69Å; L33-I74 HydrophobicContact CD1-CD1 3.57Å; L33-I74 HydrophobicContact CD1-CG1 4.49Å; G70-I74 PolarHBondContact O-N 3.18Å; L71-I74 PolarHBondContact O-N 3.27Å; W72-I74 VanDerWaalsContact C-N 3.31Å; W72-I74 PolarHBondContact O-N 3.48Å; I74-R76 VanDerWaalsContact C-N 3.27Å; I74-R76 PolarHBondContact O-N 3Å; I74-K77 PolarHBondContact O-N 3.44Å; I74-K77 VanDerWaalsContact O-N 3.09Å; I74-L78 HydrophobicContact CG2-CD1 4.01Å; I74-L78 PolarHBondContact O-N 3.17Å
75A87.5Confident81.8Confident0 Ų060.2 Ų60.20%033%0.327CS..Hα-helixtrans-56.9-42.2179.400000111.5W21 V22 W59 L71 W72 K77 L78 L79W21-A75 HydrophobicContact CH2-CB 4.39Å; W21-A75 HydrophobicContact CZ3-CB 4.2Å; V22-A75 HydrophobicContact CG1-CB 4.47Å; W59-A75 HydrophobicContact CD2-CB 3.62Å; W59-A75 HydrophobicContact CE3-CB 3.85Å; W59-A75 HydrophobicContact CG-CB 3.92Å; W59-A75 HydrophobicContact CZ2-CB 4.47Å; W59-A75 HydrophobicContact CZ3-CB 4.38Å; L71-A75 WeakPolarHBondContact O-CB 3.36Å; L71-A75 PolarHBondContact O-N 2.78Å; W72-A75 PolarHBondContact O-N 3.07Å; A75-K77 PolarHBondContact O-N 3.12Å; A75-L78 PolarHBondContact O-N 3.44Å; A75-L79 VanDerWaalsContact O-CB 3.27Å; A75-L79 WeakPolarHBondContact O-CB 3.14Å; A75-L79 WeakPolarHBondContact O-CG 3.4Å; A75-L79 PolarHBondContact O-N 2.94Å
76R86.3Confident80.7Confident100 Ų10065.2 Ų65.238%0.37734%0.341SS..Hα-helixtrans-61.4-42.7177-178.8-178.663169.7-4.1112.4W72 N73 I74 L78 L79 L80W72-R76 HydrophobicContact CD2-CB 4.03Å; W72-R76 HydrophobicContact CE3-CB 4.04Å; W72-R76 HydrophobicContact CH2-CB 3.91Å; W72-R76 HydrophobicContact CH2-CG 3.99Å; W72-R76 HydrophobicContact CZ2-CB 3.91Å; W72-R76 HydrophobicContact CZ2-CG 3.82Å; W72-R76 HydrophobicContact CZ3-CB 3.96Å; W72-R76 WeakPolarHBondContact O-CB 3.48Å; W72-R76 PolarHBondContact O-N 3.26Å; N73-R76 PolarHBondContact OD1-NH2 2.97Å; N73-R76 VanDerWaalsContact OD1-NH2 3.13Å; I74-R76 VanDerWaalsContact C-N 3.27Å; I74-R76 PolarHBondContact O-N 3Å; R76-L78 VanDerWaalsContact C-N 3.31Å; R76-L78 PolarHBondContact O-N 3.23Å; R76-L79 PolarHBondContact O-N 3.45Å; R76-L80 HydrophobicContact CG-CD1 3.4Å; R76-L80 HydrophobicContact CG-CG 3.93Å; R76-L80 WeakPolarHBondContact O-CB 3.29Å; R76-L80 VanDerWaalsContact O-CG 3.28Å; R76-L80 WeakPolarHBondContact O-CG 3.14Å; R76-L80 PolarHBondContact O-N 3.5Å
77K83Confident79.5Confident131 Ų13164.8 Ų64.857%0.5734%0.342SS*.Hα-helixtrans-61.2-43.9178.5-74.8172.1-176.8179.50110.7N73 I74 A75 A81N73-K77 WeakPolarHBondContact O-CG 3.32Å; N73-K77 PolarHBondContact O-N 2.98Å; I74-K77 PolarHBondContact O-N 3.44Å; I74-K77 VanDerWaalsContact O-N 3.09Å; A75-K77 PolarHBondContact O-N 3.12Å; K77-A81 WeakPolarHBondContact O-CB 3.18Å; K77-A81 PolarHBondContact O-N 3.46Å
78L81.7Confident78.5Confident37 Ų3763.3 Ų63.319%0.19433%0.334CS..Hα-helixtrans-69.4-44.8179.6-64.8166.5000111.9V16 V18 V22 I74 A75 R76V16-L78 HydrophobicContact CG1-CD2 3.51Å; V18-L78 HydrophobicContact CG1-CD1 4.42Å; V18-L78 HydrophobicContact CG2-CD2 4.46Å; V22-L78 HydrophobicContact CB-CD1 4.42Å; V22-L78 HydrophobicContact CG1-CD1 4.23Å; V22-L78 HydrophobicContact CG2-CD1 3.73Å; I74-L78 HydrophobicContact CG2-CD1 4.01Å; I74-L78 PolarHBondContact O-N 3.17Å; A75-L78 PolarHBondContact O-N 3.44Å; R76-L78 VanDerWaalsContact C-N 3.31Å; R76-L78 PolarHBondContact O-N 3.23Å
79L78.9Confident77.4Confident39 Ų3964.2 Ų64.220%0.20434%0.339CS..Hα-helixtrans-71.3-28.6-180-69.6172.9000113.5Y55 Q56 W59 A75 R76 P83Y55-L79 HydrophobicContact CE2-CD2 4.2Å; Q56-L79 HydrophobicContact CG-CD2 4.45Å; W59-L79 HydrophobicContact CB-CD1 3.69Å; W59-L79 HydrophobicContact CG-CD1 4.08Å; A75-L79 VanDerWaalsContact O-CB 3.27Å; A75-L79 WeakPolarHBondContact O-CB 3.14Å; A75-L79 WeakPolarHBondContact O-CG 3.4Å; A75-L79 PolarHBondContact O-N 2.94Å; R76-L79 PolarHBondContact O-N 3.45Å; L79-P83 WeakPolarHBondContact O-CD 3.49Å; L79-P83 WeakPolarHBondContact O-CG 3.26Å
80L75.6Confident76.5Confident109 Ų10966.5 Ų66.557%0.57134%0.341SS*.Hα-helixtrans-91.7-37.7179.8-69.5-179.2000113.5R76 F82 P83 S84R76-L80 HydrophobicContact CG-CD1 3.4Å; R76-L80 HydrophobicContact CG-CG 3.93Å; R76-L80 WeakPolarHBondContact O-CB 3.29Å; R76-L80 VanDerWaalsContact O-CG 3.28Å; R76-L80 WeakPolarHBondContact O-CG 3.14Å; R76-L80 PolarHBondContact O-N 3.5Å; L80-F82 PolarHBondContact O-N 2.75Å; L80-P83 WeakPolarHBondContact O-CD 3.34Å; L80-S84 PolarHBondContact O-N 3.2Å; L80-S84 PolarHBondContact O-OG 3.38Å; L80-S84 VanDerWaalsContact O-OG 3.13Å
81A71Confident75.7Confident47 Ų4767.3 Ų67.339%0.38835%0.35SS..Hα-helixtrans-63.4-34.7-177.700000112.1K77 T85K77-A81 WeakPolarHBondContact O-CB 3.18Å; K77-A81 PolarHBondContact O-N 3.46Å; A81-T85 WeakPolarHBondContact O-CB 3.35Å; A81-T85 PolarHBondContact O-OG1 3.49Å
82F64.4Low75.1Confident146 Ų14674.5 Ų74.564%0.6438%0.382SS*.Hα-helixtrans-73.2-49.7-174.1-160.9-92.5000113.3I13 L80I13-F82 HydrophobicContact CG2-CD2 4.47Å; L80-F82 PolarHBondContact O-N 2.75Å
83P60.7Low74.5Confident61 Ų6174.6 Ų74.640%0.39639%0.389SS..Hα-helixtrans-74.2-37.5-177.9-18.634.3000113.6L79 L80 T85 L87L79-P83 WeakPolarHBondContact O-CD 3.49Å; L79-P83 WeakPolarHBondContact O-CG 3.26Å; L80-P83 WeakPolarHBondContact O-CD 3.34Å; P83-T85 VanDerWaalsContact C-N 3.27Å; P83-T85 PolarHBondContact O-N 2.84Å; P83-L87 VanDerWaalsContact O-CB 3.23Å; P83-L87 WeakPolarHBondContact O-CB 3.47Å; P83-L87 WeakPolarHBondContact O-CG 2.97Å; P83-L87 PolarHBondContact O-N 2.96Å
84S63.8Low73.9Confident71 Ų7175.6 Ų75.650%0.49740%0.398SS..Hα-helixtrans-62.7-39.6-175.259.90000111.9L80 A88L80-S84 PolarHBondContact O-N 3.2Å; L80-S84 PolarHBondContact O-OG 3.38Å; L80-S84 VanDerWaalsContact O-OG 3.13Å; S84-A88 VanDerWaalsContact O-CB 3.23Å; S84-A88 WeakPolarHBondContact O-CB 3.49Å; S84-A88 PolarHBondContact O-N 2.98Å
85T66.4Low73.5Confident34 Ų3476.9 Ų76.921%0.20941%0.408CS..Hα-helixtrans-73.4-51.9-174.7-540000110.4Y10 I13 A81 P83 L87 A88 E89Y10-T85 HydrophobicContact CD1-CG2 4.01Å; Y10-T85 HydrophobicContact CE1-CG2 3.04Å; Y10-T85 HydrophobicContact CE2-CG2 4.41Å; Y10-T85 WeakPolarHBondContact OH-CG2 3.34Å; I13-T85 HydrophobicContact CD1-CG2 4.4Å; A81-T85 WeakPolarHBondContact O-CB 3.35Å; A81-T85 PolarHBondContact O-OG1 3.49Å; P83-T85 VanDerWaalsContact C-N 3.27Å; P83-T85 PolarHBondContact O-N 2.84Å; T85-L87 VanDerWaalsContact C-N 3.34Å; T85-L87 PolarHBondContact O-N 3.34Å; T85-A88 PolarHBondContact O-N 3.49Å; T85-E89 WeakPolarHBondContact O-CG 3.47Å; T85-E89 PolarHBondContact O-N 2.85Å
86Y65.2Low73Confident132 Ų13279.2 Ų79.252%0.51843%0.427SS..Hα-helixtrans-58.7-42175.1176.1-98.2000112.9E89 K90Y86-E89 PolarHBondContact O-N 2.9Å; Y86-K90 HydrophobicContact CE1-CD 3.94Å; Y86-K90 WeakPolarHBondContact O-CB 3.49Å; Y86-K90 PolarHBondContact O-N 2.69Å; Y86-K90 PolarHBondContact OH-NZ 3.28Å
87L66.7Low72.6Confident114 Ų11478.5 Ų78.560%0.59743%0.431SS*.Hα-helixtrans-67.1-41.8178.6-72.6174.2000112P83 T85 E89 G91P83-L87 VanDerWaalsContact O-CB 3.23Å; P83-L87 WeakPolarHBondContact O-CB 3.47Å; P83-L87 WeakPolarHBondContact O-CG 2.97Å; P83-L87 PolarHBondContact O-N 2.96Å; T85-L87 VanDerWaalsContact C-N 3.34Å; T85-L87 PolarHBondContact O-N 3.34Å; L87-E89 VanDerWaalsContact C-N 3.33Å; L87-G91 PolarHBondContact O-N 3.08Å
88A70.1Confident72.4Confident44 Ų4477.7 Ų77.736%0.36443%0.432SS..Hα-helixtrans-58.9-48.3174.800000110.2S84 T85 G91 F92S84-A88 VanDerWaalsContact O-CB 3.23Å; S84-A88 WeakPolarHBondContact O-CB 3.49Å; S84-A88 PolarHBondContact O-N 2.98Å; T85-A88 PolarHBondContact O-N 3.49Å; A88-G91 PolarHBondContact O-N 3Å; A88-F92 HydrophobicContact CB-CD2 4.34Å; A88-F92 HydrophobicContact CB-CE2 4.24Å; A88-F92 WeakPolarHBondContact O-CD2 3.07Å; A88-F92 WeakPolarHBondContact O-CG 3.26Å; A88-F92 PolarHBondContact O-N 2.93Å
89E69.2Low72Confident36 Ų3682 Ų8217%0.16845%0.454CS..Hα-helixtrans-64.4-46.4179.9-70-159.7120.800114.2L6 R9 Y10 T85 Y86 L87 G91 F92 S93L6-E89 WeakPolarHBondContact CD2-OE1 3.37Å; L6-E89 WeakPolarHBondContact CD2-OE2 3.33Å; R9-E89 IonicContact CZ-OE1 3.34Å; R9-E89 IonicContact NH1-OE1 3.04Å; R9-E89 IonicContact NH2-OE1 3.98Å; R9-E89 PolarHBondContact NH2-OE1 3.09Å; Y10-E89 HydrophobicContact CE2-CG 4.45Å; Y10-E89 WeakPolarHBondContact CE2-OE1 3.46Å; Y10-E89 WeakPolarHBondContact CE2-OE2 3.31Å; Y10-E89 VanDerWaalsContact CZ-CD 3.44Å; Y10-E89 VanDerWaalsContact OH-CG 3.26Å; Y10-E89 WeakPolarHBondContact OH-CG 3.2Å; Y10-E89 PolarHBondContact OH-OE1 3.38Å; Y10-E89 PolarHBondContact OH-OE2 3.34Å; T85-E89 WeakPolarHBondContact O-CG 3.47Å; T85-E89 PolarHBondContact O-N 2.85Å; Y86-E89 PolarHBondContact O-N 2.9Å; L87-E89 VanDerWaalsContact C-N 3.33Å; E89-G91 PolarHBondContact O-N 2.94Å; E89-F92 PolarHBondContact O-N 3.29Å; E89-S93 VanDerWaalsContact O-CB 3.29Å; E89-S93 WeakPolarHBondContact O-CB 2.97Å; E89-S93 PolarHBondContact O-N 3.07Å
90K72Confident71.9Confident120 Ų12085.3 Ų85.352%0.52248%0.477SS..Hα-helixtrans-60.8-39.2177.3-167.1174.1-171.6168.30110.6Y86 V94Y86-K90 HydrophobicContact CE1-CD 3.94Å; Y86-K90 WeakPolarHBondContact O-CB 3.49Å; Y86-K90 PolarHBondContact O-N 2.69Å; Y86-K90 PolarHBondContact OH-NZ 3.28Å; K90-V94 WeakPolarHBondContact O-CG2 3.25Å; K90-V94 PolarHBondContact O-N 3.22Å
91G71.8Confident71.8Confident39 Ų3988.3 Ų88.340%0.40249%0.485SS..Hα-helixtrans-60.4-52.1172.200000112.4L87 A88 E89 S93 V94 V95L87-G91 PolarHBondContact O-N 3.08Å; A88-G91 PolarHBondContact O-N 3Å; E89-G91 PolarHBondContact O-N 2.94Å; G91-S93 PolarHBondContact O-N 2.94Å; G91-V94 PolarHBondContact O-N 2.97Å; G91-V95 WeakPolarHBondContact O-CG2 3.48Å; G91-V95 PolarHBondContact O-N 3.38Å
92F76.6Confident71.2Confident150 Ų15094.7 Ų94.766%0.65850%0.504SS*.Hα-helixtrans-67.5-34.4-179.3-74-61.3000113.4A88 E89 V94 V95 A96A88-F92 HydrophobicContact CB-CD2 4.34Å; A88-F92 HydrophobicContact CB-CE2 4.24Å; A88-F92 WeakPolarHBondContact O-CD2 3.07Å; A88-F92 WeakPolarHBondContact O-CG 3.26Å; A88-F92 PolarHBondContact O-N 2.93Å; E89-F92 PolarHBondContact O-N 3.29Å; F92-V94 PolarHBondContact O-N 3.32Å; F92-V95 WeakPolarHBondContact O-CB 3.48Å; F92-V95 PolarHBondContact O-N 3.29Å; F92-A96 PolarHBondContact O-N 3.45Å
93S78.4Confident70.8Confident49 Ų4995 Ų9534%0.34351%0.505SS..Hα-helixtrans-62.4-43176-176.20000111.2E89 G91 V95 A96 D97E89-S93 VanDerWaalsContact O-CB 3.29Å; E89-S93 WeakPolarHBondContact O-CB 2.97Å; E89-S93 PolarHBondContact O-N 3.07Å; G91-S93 PolarHBondContact O-N 2.94Å; S93-V95 VanDerWaalsContact C-N 3.3Å; S93-V95 PolarHBondContact O-N 3.38Å; S93-A96 PolarHBondContact O-N 2.87Å; S93-D97 WeakPolarHBondContact O-CB 3.41Å; S93-D97 PolarHBondContact O-N 3.34Å
94V77.3Confident70.4Confident82 Ų8297.6 Ų97.650%0.49752%0.522SS..Hα-helixtrans-62.5-40.1174.6172.70000110.7K90 G91 F92 D97 L98K90-V94 WeakPolarHBondContact O-CG2 3.25Å; K90-V94 PolarHBondContact O-N 3.22Å; G91-V94 PolarHBondContact O-N 2.97Å; F92-V94 PolarHBondContact O-N 3.32Å; V94-D97 PolarHBondContact O-N 3.34Å; V94-L98 HydrophobicContact CG1-CD1 4.11Å; V94-L98 WeakPolarHBondContact O-CB 3.35Å; V94-L98 VanDerWaalsContact O-CG 3.26Å; V94-L98 WeakPolarHBondContact O-CG 3.27Å; V94-L98 PolarHBondContact O-N 3.04Å
95V77Confident69.9Low74 Ų74100 Ų10045%0.44853%0.528SS..Hα-helixtrans-64.1-44.8176.2174.60000111.4G91 F92 S93 L98 L99G91-V95 WeakPolarHBondContact O-CG2 3.48Å; G91-V95 PolarHBondContact O-N 3.38Å; F92-V95 WeakPolarHBondContact O-CB 3.48Å; F92-V95 PolarHBondContact O-N 3.29Å; S93-V95 VanDerWaalsContact C-N 3.3Å; S93-V95 PolarHBondContact O-N 3.38Å; V95-L98 PolarHBondContact O-N 3.37Å; V95-L99 HydrophobicContact CG1-CD1 4.11Å; V95-L99 HydrophobicContact CG1-CG 4.42Å; V95-L99 WeakPolarHBondContact O-CG 3.19Å; V95-L99 PolarHBondContact O-N 3.36Å
96A77.2Confident69.2Low49 Ų49102.3 Ų102.341%0.40555%0.55SS..Hα-helixtrans-62.5-42.4177.400000112F92 S93 L98 L99 T100F92-A96 PolarHBondContact O-N 3.45Å; S93-A96 PolarHBondContact O-N 2.87Å; A96-L98 VanDerWaalsContact C-N 3.33Å; A96-L98 PolarHBondContact O-N 3.49Å; A96-L99 PolarHBondContact O-N 3.39Å; A96-T100 WeakPolarHBondContact O-CG2 3.31Å; A96-T100 PolarHBondContact O-N 3.07Å; A96-T100 PolarHBondContact O-OG1 2.99Å
97D77.7Confident68.3Low85 Ų85102.2 Ų102.246%0.45556%0.559SS.*Hα-helixtrans-62.5-38.9175.1-76.3-12.6000112.1S93 V94 T100 K101S93-D97 WeakPolarHBondContact O-CB 3.41Å; S93-D97 PolarHBondContact O-N 3.34Å; V94-D97 PolarHBondContact O-N 3.34Å; D97-T100 WeakPolarHBondContact CA-OG1 3.39Å; D97-T100 PolarHBondContact O-OG1 2.91Å; D97-T100 VanDerWaalsContact O-OG1 3.07Å; D97-K101 VanDerWaalsContact O-CB 3.31Å; D97-K101 WeakPolarHBondContact O-CB 3.4Å; D97-K101 VanDerWaalsContact O-CG 3.31Å; D97-K101 WeakPolarHBondContact O-CG 3.4Å; D97-K101 PolarHBondContact O-N 3.25Å
98L77.7Confident67.5Low113 Ų113102.1 Ų102.159%0.59257%0.567SS**Hα-helixtrans-66.9-41.9175.5-73.8169.7000112V94 V95 A96 K102V94-L98 HydrophobicContact CG1-CD1 4.11Å; V94-L98 WeakPolarHBondContact O-CB 3.35Å; V94-L98 VanDerWaalsContact O-CG 3.26Å; V94-L98 WeakPolarHBondContact O-CG 3.27Å; V94-L98 PolarHBondContact O-N 3.04Å; V95-L98 PolarHBondContact O-N 3.37Å; A96-L98 VanDerWaalsContact C-N 3.33Å; A96-L98 PolarHBondContact O-N 3.49Å; L98-K102 WeakPolarHBondContact O-CB 3.47Å; L98-K102 PolarHBondContact O-N 2.95Å; L98-K102 VanDerWaalsContact O-N 3.08Å
99L73.3Confident66.8Low128 Ų128107.8 Ų107.867%0.6758%0.584SS**Hα-helixtrans-65.5-38.9177.5-71.5175.8000111.9V95 A96V95-L99 HydrophobicContact CG1-CD1 4.11Å; V95-L99 HydrophobicContact CG1-CG 4.42Å; V95-L99 WeakPolarHBondContact O-CG 3.19Å; V95-L99 PolarHBondContact O-N 3.36Å; A96-L99 PolarHBondContact O-N 3.39Å
100T76.7Confident65.8Low109 Ų109110.9 Ų110.967%0.66962%0.615SS**Hα-helixtrans-76.6-33.917953.70000112.8A96 D97 K102A96-T100 WeakPolarHBondContact O-CG2 3.31Å; A96-T100 PolarHBondContact O-N 3.07Å; A96-T100 PolarHBondContact O-OG1 2.99Å; D97-T100 WeakPolarHBondContact CA-OG1 3.39Å; D97-T100 PolarHBondContact O-OG1 2.91Å; D97-T100 VanDerWaalsContact O-OG1 3.07Å; T100-K102 VanDerWaalsContact C-N 3.32Å
101K74.2Confident64.8Low171 Ų171115.7 Ų115.774%0.74363%0.63SS**Hα-helixtrans-68.4-31.2172.6-78.4-179.1177.9179.10112.5D97 K103D97-K101 VanDerWaalsContact O-CB 3.31Å; D97-K101 WeakPolarHBondContact O-CB 3.4Å; D97-K101 VanDerWaalsContact O-CG 3.31Å; D97-K101 WeakPolarHBondContact O-CG 3.4Å; D97-K101 PolarHBondContact O-N 3.25Å; K101-K103 VanDerWaalsContact C-N 3.3Å; K101-K103 PolarHBondContact O-N 3.23Å
102K58.3Low63.9Low181 Ų181125.2 Ų125.279%0.78765%0.654SS**SBendtrans-8475.4179-155.6177.2-172.51780110.7L98 T100L98-K102 WeakPolarHBondContact O-CB 3.47Å; L98-K102 PolarHBondContact O-N 2.95Å; L98-K102 VanDerWaalsContact O-N 3.08Å; T100-K102 VanDerWaalsContact C-N 3.32Å
103K56.8Low62.7Low154 Ų154123.5 Ų123.567%0.6766%0.658SS**  14998.4127.3-162.4-179.6-164.2-176.50111.6K101 I105K101-K103 VanDerWaalsContact C-N 3.3Å; K101-K103 PolarHBondContact O-N 3.23Å; K103-I105 HydrophobicContact CD-CD1 3.94Å; K103-I105 HydrophobicContact CD-CG1 3.57Å; K103-I105 HydrophobicContact CG-CG1 3.71Å; K103-I105 PolarHBondContact O-N 2.85Å
104P52.1Low61.8Low114 Ų114126 Ų12674%0.7468%0.682SS**  trans-70.8103.7148114.2000106.4A106P104-A106 PolarHBondContact O-N 3.19Å
105I52.6Low61.2Low123 Ų123127.7 Ų127.763%0.63169%0.692SS**  trans-70.978.4154.4-59.3176.9000104.7K103 N107K103-I105 HydrophobicContact CD-CD1 3.94Å; K103-I105 HydrophobicContact CD-CG1 3.57Å; K103-I105 HydrophobicContact CG-CG1 3.71Å; K103-I105 PolarHBondContact O-N 2.85Å; I105-N107 VanDerWaalsContact C-N 3.25Å; I105-N107 PolarHBondContact O-N 3.02Å
106A52.4Low60.4Low81 Ų81129 Ų12967%0.66971%0.711SS**  trans-58.7101.716200000105.8P104 S108P104-A106 PolarHBondContact O-N 3.19Å; A106-S108 PolarHBondContact O-N 2.87Å
107N47.1Very low59.4Low131 Ų131134.3 Ų134.370%0.70173%0.732SS**  trans2481.6139.2-86.9-36.8000113.1I105 K109I105-N107 VanDerWaalsContact C-N 3.25Å; I105-N107 PolarHBondContact O-N 3.02Å; N107-K109 HydrophobicContact CB-CG 4.34Å; N107-K109 PolarHBondContact O-N 2.82Å
108S50Low58.5Low111 Ų111145.4 Ų145.478%0.77677%0.767SS**  trans-65.776.414657.20000106.3A106 A110A106-S108 PolarHBondContact O-N 2.87Å; S108-A110 PolarHBondContact O-N 2.75Å
109K53.6Low57.5Low163 Ų163147 Ų14771%0.70978%0.776SS**  trans-58.285.2159.5-88.5175.3177.9171.10105.6N107 R111N107-K109 HydrophobicContact CB-CG 4.34Å; N107-K109 PolarHBondContact O-N 2.82Å; K109-R111 HydrophobicContact CB-CB 4.49Å; K109-R111 PolarHBondContact O-N 2.78Å
110A49.8Very low56.7Low101 Ų101148 Ų14884%0.83578%0.781SS**  trans-67.469.3152.700000106.7S108 R112S108-A110 PolarHBondContact O-N 2.75Å; A110-R112 PolarHBondContact O-N 3.38Å
111R50Low55.6Low221 Ų221150.2 Ų150.283%0.83479%0.788SS**  trans-85.591.4167-155.6-174.6-153.9-156.45.1104.5K109K109-R111 HydrophobicContact CB-CB 4.49Å; K109-R111 PolarHBondContact O-N 2.78Å
112R53.8Low54.5Low240 Ų240148.9 Ų148.991%0.90679%0.79SS**  trans-117.6118.2156.7-83.1-164.1-174.7-171.33.7108.2A110A110-R112 PolarHBondContact O-N 3.38Å
113P51.5Low54.2Low113 Ų113146.9 Ų146.973%0.73479%0.79SS**  trans-84.2133.117933.6-29.7000109.1
114A59.6Low54Low103 Ų103146.5 Ų146.585%0.85180%0.799SS**  trans-103.288.2164.500000107.7A116A114-A116 PolarHBondContact O-N 3.03Å
115T63.1Low54.2Low116 Ų116148.8 Ų148.871%0.71280%0.803SS**  trans-63.1100.5162.2-53.60000107.1L117T115-L117 VanDerWaalsContact C-N 3.27Å; T115-L117 HydrophobicContact CG2-CG 4.19Å; T115-L117 PolarHBondContact O-N 3.06Å
116A61.9Low54.3Low102 Ų102150.8 Ų150.884%0.84382%0.816SS**  trans-76.186.5167.800000108A114 R118A114-A116 PolarHBondContact O-N 3.03Å; A116-R118 PolarHBondContact O-N 3.32Å
117L54.4Low54.5Low160 Ų160156.6 Ų156.684%0.83883%0.828SS**  trans-70.9102.7157-81.5163.4000107.5T115T115-L117 VanDerWaalsContact C-N 3.27Å; T115-L117 HydrophobicContact CG2-CG 4.19Å; T115-L117 PolarHBondContact O-N 3.06Å
118R59.1Low55.1Low318 Ų318158.9 Ų158.9100%1.284%0.84SS**  trans-162.40137.4-139.9177.2-176.8-177.2-0.1111.7A116A116-R118 PolarHBondContact O-N 3.32Å

Retrieved 118 of 118 residues in 25.5 ms (Link to these results)

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