A0A061CLB2_HUMAN Loading...

MHC class II antigen

AlphaFold DB (A0A1S5QRE1), UniProt , Accession A0A061CLB2, Species HUMAN (Homo sapiens, Human), Gene HLA-DRB1, Length 89 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
1R83.5Confident95.5Very high287 Ų28798.5 Ų98.5100%1.08343%0.432SS*.  0131.30179.2176.9178.2179.1-0107.4
2F91.3Very high95.5Very high124 Ų12496 Ų9654%0.54442%0.421SS..  trans-91.5138.8177.1164.5-119.5000110.2W4 Y27 N28F2-W4 HydrophobicContact CE1-CB 4.36Å; F2-W4 HydrophobicContact CE2-CB 3.94Å; F2-W4 HydrophobicContact CZ-CB 3.58Å; F2-W4 HydrophobicContact CZ-CG 4.35Å; F2-Y27 HydrophobicContact CD2-CD2 4.15Å; F2-Y27 HydrophobicContact CD2-CE1 4.45Å; F2-Y27 AromaticContact CD2-CE2 3.48Å; F2-Y27 HydrophobicContact CD2-CE2 3.48Å; F2-Y27 VanDerWaalsContact CD2-CE2 3.48Å; F2-Y27 AromaticContact CD2-CZ 3.6Å; F2-Y27 AromaticContact CE2-CD2 3.36Å; F2-Y27 HydrophobicContact CE2-CD2 3.36Å; F2-Y27 AromaticContact CE2-CE2 2.95Å; F2-Y27 HydrophobicContact CE2-CE2 2.95Å; F2-Y27 HydrophobicContact CE2-CG 4.29Å; F2-Y27 AromaticContact CE2-CZ 3.61Å; F2-Y27 HydrophobicContact CZ-CD2 4.21Å; F2-Y27 AromaticContact CZ-CE2 3.82Å; F2-Y27 HydrophobicContact CZ-CE2 3.82Å; F2-N28 WeakPolarHBondContact CA-OD1 3.29Å
3L96.5Very high95.5Very high81 Ų8195.8 Ų95.842%0.42442%0.42SS..  trans-136.7129.5173-179.866.7000109.3Q5 N28L3-Q5 HydrophobicContact CD1-CG 4.22Å; L3-Q5 HydrophobicContact CD2-CG 4.02Å; L3-Q5 HydrophobicContact CG-CG 3.86Å; L3-N28 PolarHBondContact N-OD1 3.37Å; L3-N28 PolarHBondContact O-N 2.93Å; L3-N28 PolarHBondContact O-OD1 2.81Å
4W95.8Very high95.3Very high132 Ų13298.9 Ų98.950%0.544%0.443SS..EExtended strand (participates in β ladder)trans-121.2133.1171-169.179.1000109.2F2 L6 I26F2-W4 HydrophobicContact CE1-CB 4.36Å; F2-W4 HydrophobicContact CE2-CB 3.94Å; F2-W4 HydrophobicContact CZ-CB 3.58Å; F2-W4 HydrophobicContact CZ-CG 4.35Å; W4-L6 HydrophobicContact CH2-CB 4.15Å; W4-L6 HydrophobicContact CH2-CD2 4.43Å; W4-L6 HydrophobicContact CZ3-CB 4.15Å; W4-I26 CarbonylContact C-O 3.6Å; W4-I26 WeakPolarHBondContact CA-O 3.28Å
5Q98Very high94.9Very high71 Ų7194.3 Ų94.333%0.33243%0.434SS..EExtended strand (participates in β ladder)trans-132.2137-178.2-51.4179.9-87.800109.5L3 I26L3-Q5 HydrophobicContact CD1-CG 4.22Å; L3-Q5 HydrophobicContact CD2-CG 4.02Å; L3-Q5 HydrophobicContact CG-CG 3.86Å; Q5-I26 HydrophobicContact CB-CB 4.29Å; Q5-I26 PolarHBondContact N-O 3.03Å; Q5-I26 PolarHBondContact O-N 3.48Å
6L97.2Very high94.9Very high68 Ų6892.1 Ų92.136%0.35643%0.43SS..EExtended strand (participates in β ladder)trans-112.1125.6168.7-172.663000107.6W4 F8 E23 R24 C25W4-L6 HydrophobicContact CH2-CB 4.15Å; W4-L6 HydrophobicContact CH2-CD2 4.43Å; W4-L6 HydrophobicContact CZ3-CB 4.15Å; L6-F8 HydrophobicContact CD2-CE2 3.41Å; L6-F8 VanDerWaalsContact CD2-CE2 3.41Å; L6-F8 HydrophobicContact CD2-CZ 3.56Å; L6-F8 HydrophobicContact CG-CD2 4.32Å; L6-F8 HydrophobicContact CG-CE2 3.6Å; L6-F8 HydrophobicContact CG-CZ 3.94Å; L6-E23 HydrophobicContact CD1-CG 3.81Å; L6-R24 WeakPolarHBondContact CA-O 3.38Å; L6-C25 WeakPolarHBondContact CD1-SG 3.44Å
7K97.9Very high94.9Very high87 Ų8795.7 Ų95.738%0.37845%0.447SS..EExtended strand (participates in β ladder)trans-118.2124.5177.4-65.2-169.6176.7-174.70110.1E9 E23 R24 I26K7-E9 HydrophobicContact CB-CG 4.25Å; K7-E23 CarbonylContact O-C 3.52Å; K7-E23 VanDerWaalsContact O-CA 3.29Å; K7-E23 WeakPolarHBondContact O-CA 3.45Å; K7-R24 HydrophobicContact CB-CB 4.38Å; K7-R24 PolarHBondContact N-O 3.01Å; K7-R24 PolarHBondContact O-N 3.49Å; K7-I26 HydrophobicContact CD-CD1 3.9Å; K7-I26 HydrophobicContact CG-CD1 4.23Å
8F97.5Very high95Very high85 Ų8598.2 Ų98.237%0.37345%0.451SS..EExtended strand (participates in β ladder)trans-104109.6167.6-62.8-86.9000108L6 L22 E23L6-F8 HydrophobicContact CD2-CE2 3.41Å; L6-F8 VanDerWaalsContact CD2-CE2 3.41Å; L6-F8 HydrophobicContact CD2-CZ 3.56Å; L6-F8 HydrophobicContact CG-CD2 4.32Å; L6-F8 HydrophobicContact CG-CE2 3.6Å; L6-F8 HydrophobicContact CG-CZ 3.94Å; F8-L22 CarbonylContact C-O 3.53Å; F8-L22 WeakPolarHBondContact CA-O 3.02Å; F8-E23 HydrophobicContact CD1-CB 3.96Å; F8-E23 HydrophobicContact CD1-CG 3.9Å; F8-E23 HydrophobicContact CE1-CB 3.97Å; F8-E23 HydrophobicContact CE1-CG 3.47Å; F8-E23 VanDerWaalsContact CE1-CG 3.47Å; F8-E23 WeakPolarHBondContact CE1-OE1 3.38Å; F8-E23 HydrophobicContact CZ-CG 4Å; F8-E23 WeakPolarHBondContact CZ-OE1 3.19Å
9E98.2Very high95.2Very high47 Ų4793.4 Ų93.422%0.2243%0.43CS..EExtended strand (participates in β ladder)trans-113.6126.3-176.8-52.7177.4-158.400109.2K7 H11 L21 L22 R24K7-E9 HydrophobicContact CB-CG 4.25Å; E9-H11 IonicContact OE2-CE1 3.84Å; E9-H11 IonicContact OE2-NE2 3.03Å; E9-H11 PolarHBondContact OE2-NE2 2.92Å; E9-L21 WeakPolarHBondContact O-CA 3.38Å; E9-L22 HydrophobicContact CB-CB 4.29Å; E9-L22 PolarHBondContact N-O 3.29Å; E9-L22 PolarHBondContact O-N 3.11Å; E9-R24 VanDerWaalsContact OE1-CD 3.25Å; E9-R24 WeakPolarHBondContact OE1-CD 3.47Å; E9-R24 IonicContact OE1-CZ 3.29Å; E9-R24 IonicContact OE1-NE 2.69Å; E9-R24 IonicContact OE1-NH1 2.71Å; E9-R24 PolarHBondContact OE1-NH1 3.4Å
10C97.9Very high95.3Very high33 Ų3392.1 Ų92.122%0.22342%0.421CS..EExtended strand (participates in β ladder)trans-106.3115.8172.1-61.80000108.8F12 R20 C74C10-F12 HydrophobicContact CB-CD2 4.35Å; C10-F12 HydrophobicContact CB-CE2 3.43Å; C10-F12 VanDerWaalsContact CB-CE2 3.43Å; C10-F12 HydrophobicContact CB-CZ 3.56Å; C10-F12 WeakPolarHBondContact O-CD2 3.34Å; C10-F12 WeakPolarHBondContact O-CE2 3.25Å; C10-R20 WeakPolarHBondContact CA-O 3.15Å; C10-C74 HydrophobicContact CB-CB 3.62Å; C10-C74 WeakPolarHBondContact CB-SG 3.24Å; C10-C74 WeakPolarHBondContact SG-CA 3.39Å; C10-C74 WeakPolarHBondContact SG-CB 3.5Å; C10-C74 CovalentContact SG-SG 2.03Å; C10-C74 PolarHBondContact SG-SG 2.85Å
11H97.1Very high95.5Very high69 Ų6987.8 Ų87.832%0.31940%0.401SS..EExtended strand (participates in β ladder)trans-103.3118.3180-69.1-147.8000108.4E9 F13 V19 R20E9-H11 IonicContact OE2-CE1 3.84Å; E9-H11 IonicContact OE2-NE2 3.03Å; E9-H11 PolarHBondContact OE2-NE2 2.92Å; H11-F13 HydrophobicContact CB-CE2 4Å; H11-F13 HydrophobicContact CB-CZ 4.24Å; H11-V19 WeakPolarHBondContact O-CA 3.45Å; H11-R20 HydrophobicContact CB-CB 4.38Å; H11-R20 PolarHBondContact N-O 3.22Å; H11-R20 PolarHBondContact O-N 3.11Å
12F95.6Very high96.2Very high68 Ų6874.6 Ų74.630%0.29835%0.352SS..EExtended strand (participates in β ladder)trans-106.5129.5-174-63.1-84.5000110.2C10 G15 T16 V19 C74 Y78C10-F12 HydrophobicContact CB-CD2 4.35Å; C10-F12 HydrophobicContact CB-CE2 3.43Å; C10-F12 VanDerWaalsContact CB-CE2 3.43Å; C10-F12 HydrophobicContact CB-CZ 3.56Å; C10-F12 WeakPolarHBondContact O-CD2 3.34Å; C10-F12 WeakPolarHBondContact O-CE2 3.25Å; F12-G15 WeakPolarHBondContact CB-O 3.44Å; F12-T16 HydrophobicContact CD1-CG2 4.32Å; F12-V19 HydrophobicContact CD1-CB 4.43Å; F12-V19 HydrophobicContact CD1-CG1 3.97Å; F12-V19 HydrophobicContact CD1-CG2 3.69Å; F12-V19 HydrophobicContact CE1-CG1 3.71Å; F12-V19 HydrophobicContact CE1-CG2 3.95Å; F12-V19 HydrophobicContact CZ-CG1 4.36Å; F12-C74 HydrophobicContact CE1-CB 4.28Å; F12-C74 HydrophobicContact CZ-CB 4.04Å; F12-C74 WeakPolarHBondContact CZ-O 3.44Å; F12-Y78 HydrophobicContact CB-CE2 4.37Å; F12-Y78 AromaticContact CD1-CD2 3.63Å; F12-Y78 HydrophobicContact CD1-CD2 3.63Å; F12-Y78 HydrophobicContact CD1-CE2 4.22Å; F12-Y78 AromaticContact CD1-CG 3.97Å; F12-Y78 HydrophobicContact CD1-CG 3.97Å; F12-Y78 AromaticContact CD2-CD2 3.86Å; F12-Y78 HydrophobicContact CD2-CD2 3.86Å; F12-Y78 HydrophobicContact CD2-CE2 4.37Å; F12-Y78 VanDerWaalsContact CE1-CB 3.48Å; F12-Y78 AromaticContact CE1-CD2 3.7Å; F12-Y78 HydrophobicContact CE1-CD2 3.7Å; F12-Y78 AromaticContact CE1-CG 3.75Å; F12-Y78 HydrophobicContact CE1-CG 3.75Å; F12-Y78 AromaticContact CE2-CD2 3.9Å; F12-Y78 HydrophobicContact CE2-CD2 3.9Å; F12-Y78 AromaticContact CG-CD2 3.73Å; F12-Y78 HydrophobicContact CG-CD2 3.73Å; F12-Y78 HydrophobicContact CG-CE2 4.06Å; F12-Y78 AromaticContact CZ-CD2 3.84Å; F12-Y78 HydrophobicContact CZ-CD2 3.84Å; F12-Y78 HydrophobicContact CZ-CG 4.09Å
13F94.9Very high96.5Very high93 Ų9369.1 Ų69.141%0.40833%0.328SS..EExtended strand (participates in β ladder)trans-123.1128178-55.8-87.6000109.4H11 R18H11-F13 HydrophobicContact CB-CE2 4Å; H11-F13 HydrophobicContact CB-CZ 4.24Å; F13-R18 HydrophobicContact CB-CB 4.27Å; F13-R18 HydrophobicContact CD2-CB 4.47Å; F13-R18 HydrophobicContact CD2-CG 4.27Å; F13-R18 PolarHBondContact N-O 2.81Å; F13-R18 PolarHBondContact O-N 3.27Å
14N92.4Very high96.6Very high140 Ų14068 Ų6875%0.74932%0.318SS*.THydrogen-bonded Turntrans49.756.4-175-60.5-20.4000112.1T16 E17N14-T16 PolarHBondContact O-N 3.01Å; N14-E17 HydrophobicContact CB-CB 4.35Å; N14-E17 WeakPolarHBondContact CB-OE2 3.06Å
15G89.9Confident96.8Very high30 Ų3061.8 Ų61.831%0.30930%0.295SS..THydrogen-bonded Turntrans70.6-125.3-170.200000110.6F12F12-G15 WeakPolarHBondContact CB-O 3.44Å
16T95.1Very high96.8Very high59 Ų5958.9 Ų58.936%0.36228%0.282SS..THydrogen-bonded Turntrans-104.411.8-179.359.60000114F12 N14 R75 Y78F12-T16 HydrophobicContact CD1-CG2 4.32Å; N14-T16 PolarHBondContact O-N 3.01Å; T16-R75 HydrophobicContact CG2-CG 4.46Å; T16-R75 PolarHBondContact O-NE 3.14Å; T16-Y78 HydrophobicContact CG2-CD1 3.27Å; T16-Y78 HydrophobicContact CG2-CE1 3.64Å; T16-Y78 HydrophobicContact CG2-CG 3.87Å
17E94.5Very high96.7Very high153 Ų15360 Ų6072%0.71528%0.282SS*.THydrogen-bonded Turntrans-57.4-50.9179.4-174-176.5-179.800110.5N14N14-E17 HydrophobicContact CB-CB 4.35Å; N14-E17 WeakPolarHBondContact CB-OE2 3.06Å
18R96.9Very high96.5Very high141 Ų14159 Ų5953%0.53228%0.281SS..EExtended strand (participates in β ladder)trans-122.4127.1169.1-177.6179.4176.2-174.4-1.1110F13 D38F13-R18 HydrophobicContact CB-CB 4.27Å; F13-R18 HydrophobicContact CD2-CB 4.47Å; F13-R18 HydrophobicContact CD2-CG 4.27Å; F13-R18 PolarHBondContact N-O 2.81Å; F13-R18 PolarHBondContact O-N 3.27Å; R18-D38 IonicContact CZ-OD2 3.99Å; R18-D38 IonicContact NH2-OD2 3.16Å; R18-D38 PolarHBondContact NH2-OD2 3.42Å
19V98.1Very high96.4Very high7 Ų763.4 Ų63.44%0.04230%0.303CS..EExtended strand (participates in β ladder)trans-128130.7179.1-175.90000108.3H11 F12 V70 C74 R75H11-V19 WeakPolarHBondContact O-CA 3.45Å; F12-V19 HydrophobicContact CD1-CB 4.43Å; F12-V19 HydrophobicContact CD1-CG1 3.97Å; F12-V19 HydrophobicContact CD1-CG2 3.69Å; F12-V19 HydrophobicContact CE1-CG1 3.71Å; F12-V19 HydrophobicContact CE1-CG2 3.95Å; F12-V19 HydrophobicContact CZ-CG1 4.36Å; V19-V70 HydrophobicContact CB-CG1 3.78Å; V19-V70 HydrophobicContact CG1-CG1 3.89Å; V19-V70 WeakPolarHBondContact O-CG1 3.48Å; V19-C74 HydrophobicContact CG1-CB 3.52Å; V19-R75 HydrophobicContact CB-CG 4.44Å; V19-R75 HydrophobicContact CG2-CG 3.82Å
20R98.3Very high96.3Very high66 Ų6666 Ų6625%0.24932%0.315CS..EExtended strand (participates in β ladder)trans-120126.9177-178.4-178.9178.9-166.53.8109.8C10 H11 L22 D36 S37 D38C10-R20 WeakPolarHBondContact CA-O 3.15Å; H11-R20 HydrophobicContact CB-CB 4.38Å; H11-R20 PolarHBondContact N-O 3.22Å; H11-R20 PolarHBondContact O-N 3.11Å; R20-L22 HydrophobicContact CG-CD2 4.48Å; R20-D36 IonicContact CZ-OD1 3.85Å; R20-D36 IonicContact CZ-OD2 3.67Å; R20-D36 IonicContact NE-OD1 2.95Å; R20-D36 PolarHBondContact NE-OD1 3.02Å; R20-D36 IonicContact NE-OD2 3.88Å; R20-D36 PolarHBondContact NE-OD2 3.3Å; R20-D36 IonicContact NH2-OD1 3.46Å; R20-D36 IonicContact NH2-OD2 3.61Å; R20-D36 PolarHBondContact NH2-OD2 3.05Å; R20-S37 WeakPolarHBondContact CA-OG 3.42Å; R20-D38 IonicContact NE-OD2 3.05Å
21L98.6Very high96.3Very high2 Ų265.3 Ų65.31%0.0131%0.308CS..EExtended strand (participates in β ladder)trans-97.5128.5172173.666.5000109.3E9 S37 A69 V70E9-L21 WeakPolarHBondContact O-CA 3.38Å; L21-S37 PolarHBondContact N-OG 2.78Å; L21-S37 PolarHBondContact O-N 3.1Å; L21-A69 HydrophobicContact CD2-CB 3.48Å; L21-A69 VanDerWaalsContact CD2-CB 3.48Å; L21-V70 HydrophobicContact CB-CG2 4.12Å
22L98.6Very high96.4Very high11 Ų1162.2 Ų62.26%0.05830%0.295CS..EExtended strand (participates in β ladder)trans-115.4123.8166.8-62.4178.6000109.4F8 E9 R20 R24 F35 D36F8-L22 CarbonylContact C-O 3.53Å; F8-L22 WeakPolarHBondContact CA-O 3.02Å; E9-L22 HydrophobicContact CB-CB 4.29Å; E9-L22 PolarHBondContact N-O 3.29Å; E9-L22 PolarHBondContact O-N 3.11Å; R20-L22 HydrophobicContact CG-CD2 4.48Å; L22-R24 HydrophobicContact CB-CG 4.24Å; L22-F35 WeakPolarHBondContact CA-O 3.43Å; L22-D36 HydrophobicContact CD2-CB 3.82Å
23E98.4Very high96.5Very high8 Ų859 Ų594%0.03728%0.28CS..EExtended strand (participates in β ladder)trans-106.7119.8164.1176.8177.5-170.300108.4L6 K7 F8 R34 F35 Y42 R66L6-E23 HydrophobicContact CD1-CG 3.81Å; K7-E23 CarbonylContact O-C 3.52Å; K7-E23 VanDerWaalsContact O-CA 3.29Å; K7-E23 WeakPolarHBondContact O-CA 3.45Å; F8-E23 HydrophobicContact CD1-CB 3.96Å; F8-E23 HydrophobicContact CD1-CG 3.9Å; F8-E23 HydrophobicContact CE1-CB 3.97Å; F8-E23 HydrophobicContact CE1-CG 3.47Å; F8-E23 VanDerWaalsContact CE1-CG 3.47Å; F8-E23 WeakPolarHBondContact CE1-OE1 3.38Å; F8-E23 HydrophobicContact CZ-CG 4Å; F8-E23 WeakPolarHBondContact CZ-OE1 3.19Å; E23-R34 CarbonylContact O-C 3.58Å; E23-R34 VanDerWaalsContact O-CA 3.25Å; E23-R34 WeakPolarHBondContact O-CA 3.41Å; E23-F35 HydrophobicContact CB-CB 4.1Å; E23-F35 PolarHBondContact N-O 2.9Å; E23-F35 PolarHBondContact O-N 3.02Å; E23-Y42 PolarHBondContact OE2-OH 2.74Å; E23-Y42 VanDerWaalsContact OE2-OH 3.1Å; E23-R66 IonicContact OE1-CZ 3.35Å; E23-R66 IonicContact OE1-NE 2.7Å; E23-R66 IonicContact OE1-NH2 3.16Å; E23-R66 PolarHBondContact OE1-NH2 3.23Å; E23-R66 VanDerWaalsContact OE2-CD 3.26Å; E23-R66 WeakPolarHBondContact OE2-CD 3.4Å; E23-R66 IonicContact OE2-CZ 3.8Å; E23-R66 IonicContact OE2-NE 2.78Å; E23-R66 PolarHBondContact OE2-NE 3.18Å; E23-R66 IonicContact OE2-NH2 2.64Å; E23-R66 PolarHBondContact OE2-NH2 3.14Å
24R98.6Very high96.7Very high57 Ų5758 Ų5822%0.21527%0.274CS..EExtended strand (participates in β ladder)trans-122.9122.3-171.9-55.3174.164.6-161.61.4110.3L6 K7 E9 L22 I26 E31 R34L6-R24 WeakPolarHBondContact CA-O 3.38Å; K7-R24 HydrophobicContact CB-CB 4.38Å; K7-R24 PolarHBondContact N-O 3.01Å; K7-R24 PolarHBondContact O-N 3.49Å; E9-R24 VanDerWaalsContact OE1-CD 3.25Å; E9-R24 WeakPolarHBondContact OE1-CD 3.47Å; E9-R24 IonicContact OE1-CZ 3.29Å; E9-R24 IonicContact OE1-NE 2.69Å; E9-R24 IonicContact OE1-NH1 2.71Å; E9-R24 PolarHBondContact OE1-NH1 3.4Å; L22-R24 HydrophobicContact CB-CG 4.24Å; R24-I26 HydrophobicContact CB-CG1 4.41Å; R24-E31 HydrophobicContact CB-CG 4.46Å; R24-E31 WeakPolarHBondContact CB-OE1 3.32Å; R24-E31 VanDerWaalsContact CG-OE1 3.26Å; R24-E31 WeakPolarHBondContact CG-OE1 3.1Å; R24-E31 IonicContact CZ-OE2 2.75Å; R24-E31 VanDerWaalsContact CZ-OE2 3.29Å; R24-E31 VanDerWaalsContact NE-CD 3.26Å; R24-E31 IonicContact NE-OE1 3.02Å; R24-E31 PolarHBondContact NE-OE1 3.36Å; R24-E31 IonicContact NE-OE2 3.47Å; R24-E31 PolarHBondContact NE-OE2 2.94Å; R24-E31 IonicContact NH2-OE2 3.44Å; R24-E31 PolarHBondContact NH2-OE2 3.48Å; R24-R34 HydrophobicContact CG-CG 4.34Å
25C98.1Very high97Very high2 Ų251.3 Ų51.31%0.01424%0.238CC..EExtended strand (participates in β ladder)trans-96.1118.7173.8-63.20000109.2L6 E31 S32 V33 W56L6-C25 WeakPolarHBondContact CD1-SG 3.44Å; C25-E31 CarbonylContact O-C 3.51Å; C25-E31 WeakPolarHBondContact O-CA 3.45Å; C25-S32 PolarHBondContact O-N 3.02Å; C25-S32 PolarHBondContact O-OG 3Å; C25-V33 HydrophobicContact CB-CB 4.18Å; C25-V33 PolarHBondContact N-O 2.97Å; C25-W56 VanDerWaalsContact SG-CH2 3.5Å
26I98.1Very high97.4Very high10 Ų1050.7 Ų50.75%0.05123%0.228CC..EExtended strand (participates in β ladder)trans-123.4117.8-171.9-54.3170.7000109.5W4 Q5 K7 R24 E30 E31W4-I26 CarbonylContact C-O 3.6Å; W4-I26 WeakPolarHBondContact CA-O 3.28Å; Q5-I26 HydrophobicContact CB-CB 4.29Å; Q5-I26 PolarHBondContact N-O 3.03Å; Q5-I26 PolarHBondContact O-N 3.48Å; K7-I26 HydrophobicContact CD-CD1 3.9Å; K7-I26 HydrophobicContact CG-CD1 4.23Å; R24-I26 HydrophobicContact CB-CG1 4.41Å; I26-E30 CarbonylContact C-O 3.49Å; I26-E30 WeakPolarHBondContact CA-O 3.34Å; I26-E31 HydrophobicContact CG1-CB 4.26Å; I26-E31 HydrophobicContact CG1-CG 4.39Å
27Y95.2Very high97.6Very high91 Ų9149.1 Ų49.136%0.35722%0.219SC..EExtended strand (participates in β ladder)trans-105.7113.9176-174.1-85.1000109.3F2 Q29 E30 L48F2-Y27 HydrophobicContact CD2-CD2 4.15Å; F2-Y27 HydrophobicContact CD2-CE1 4.45Å; F2-Y27 AromaticContact CD2-CE2 3.48Å; F2-Y27 HydrophobicContact CD2-CE2 3.48Å; F2-Y27 VanDerWaalsContact CD2-CE2 3.48Å; F2-Y27 AromaticContact CD2-CZ 3.6Å; F2-Y27 AromaticContact CE2-CD2 3.36Å; F2-Y27 HydrophobicContact CE2-CD2 3.36Å; F2-Y27 AromaticContact CE2-CE2 2.95Å; F2-Y27 HydrophobicContact CE2-CE2 2.95Å; F2-Y27 HydrophobicContact CE2-CG 4.29Å; F2-Y27 AromaticContact CE2-CZ 3.61Å; F2-Y27 HydrophobicContact CZ-CD2 4.21Å; F2-Y27 AromaticContact CZ-CE2 3.82Å; F2-Y27 HydrophobicContact CZ-CE2 3.82Å; Y27-Q29 VanDerWaalsContact C-N 3.3Å; Y27-Q29 PolarHBondContact O-N 2.82Å; Y27-E30 PolarHBondContact N-O 3.34Å; Y27-E30 WeakPolarHBondContact O-CA 3.48Å; Y27-E30 WeakPolarHBondContact O-CB 3.45Å; Y27-E30 PolarHBondContact O-N 2.94Å; Y27-L48 HydrophobicContact CD1-CD2 4.42Å; Y27-L48 HydrophobicContact CG-CD2 4.29Å
28N94.8Very high97.7Very high66 Ų6645.5 Ų45.535%0.35321%0.205SC..THydrogen-bonded Turntrans48.945.5179.7-64-32.2000114.4F2 L3 E30F2-N28 WeakPolarHBondContact CA-OD1 3.29Å; L3-N28 PolarHBondContact N-OD1 3.37Å; L3-N28 PolarHBondContact O-N 2.93Å; L3-N28 PolarHBondContact O-OD1 2.81Å; N28-E30 PolarHBondContact O-N 3.46Å
29Q94.8Very high97.8Very high178 Ų17842.6 Ų42.683%0.83220%0.203SC*.THydrogen-bonded Turntrans74.4-7.4-176.3-47.2172.439.600115.4Y27Y27-Q29 VanDerWaalsContact C-N 3.3Å; Y27-Q29 PolarHBondContact O-N 2.82Å
30E97.1Very high97.8Very high101 Ų10142.8 Ų42.847%0.47221%0.205SC..EExtended strand (participates in β ladder)trans-90.6122.1172.1-173.4-178.3149.900109.6I26 Y27 N28 S32 T46I26-E30 CarbonylContact C-O 3.49Å; I26-E30 WeakPolarHBondContact CA-O 3.34Å; Y27-E30 PolarHBondContact N-O 3.34Å; Y27-E30 WeakPolarHBondContact O-CA 3.48Å; Y27-E30 WeakPolarHBondContact O-CB 3.45Å; Y27-E30 PolarHBondContact O-N 2.94Å; N28-E30 PolarHBondContact O-N 3.46Å; E30-S32 PolarHBondContact O-N 2.03Å; E30-T46 HydrophobicContact CG-CG2 3.94Å; E30-T46 WeakPolarHBondContact OE1-CB 3.42Å; E30-T46 WeakPolarHBondContact OE1-CG2 3.26Å; E30-T46 PolarHBondContact OE1-OG1 3.42Å
31E98.3Very high97.8Very high19 Ų1942.4 Ų42.49%0.08921%0.207CC..EExtended strand (participates in β ladder)trans-78120.2173.9-176.4176.3-17600110R24 C25 I26 R34 V45 T46R24-E31 HydrophobicContact CB-CG 4.46Å; R24-E31 WeakPolarHBondContact CB-OE1 3.32Å; R24-E31 VanDerWaalsContact CG-OE1 3.26Å; R24-E31 WeakPolarHBondContact CG-OE1 3.1Å; R24-E31 IonicContact CZ-OE2 2.75Å; R24-E31 VanDerWaalsContact CZ-OE2 3.29Å; R24-E31 VanDerWaalsContact NE-CD 3.26Å; R24-E31 IonicContact NE-OE1 3.02Å; R24-E31 PolarHBondContact NE-OE1 3.36Å; R24-E31 IonicContact NE-OE2 3.47Å; R24-E31 PolarHBondContact NE-OE2 2.94Å; R24-E31 IonicContact NH2-OE2 3.44Å; R24-E31 PolarHBondContact NH2-OE2 3.48Å; C25-E31 CarbonylContact O-C 3.51Å; C25-E31 WeakPolarHBondContact O-CA 3.45Å; I26-E31 HydrophobicContact CG1-CB 4.26Å; I26-E31 HydrophobicContact CG1-CG 4.39Å; E31-R34 IonicContact OE1-CZ 3.79Å; E31-R34 VanDerWaalsContact OE1-CZ 3.28Å; E31-R34 IonicContact OE1-NE 3.5Å; E31-R34 PolarHBondContact OE1-NE 2.9Å; E31-R34 IonicContact OE1-NH2 3.9Å; E31-R34 PolarHBondContact OE1-NH2 2.71Å; E31-R34 IonicContact OE2-CZ 3.71Å; E31-R34 IonicContact OE2-NE 2.95Å; E31-R34 IonicContact OE2-NH2 2.63Å; E31-R34 PolarHBondContact OE2-NH2 3.25Å; E31-V45 HydrophobicContact CB-CG1 4.42Å; E31-V45 HydrophobicContact CG-CB 4.36Å; E31-V45 HydrophobicContact CG-CG1 4.48Å; E31-V45 HydrophobicContact CG-CG2 4.06Å; E31-V45 WeakPolarHBondContact O-CB 3.45Å; E31-V45 WeakPolarHBondContact O-CG1 3.42Å; E31-T46 VanDerWaalsContact O-CG2 3.32Å; E31-T46 WeakPolarHBondContact O-CG2 3.48Å
32S98Very high97.8Very high5 Ų542.5 Ų42.54%0.03521%0.207CC..EExtended strand (participates in β ladder)trans-95.9-38.1-177.459.40000112.8C25 E30 V45 T46 G49C25-S32 PolarHBondContact O-N 3.02Å; C25-S32 PolarHBondContact O-OG 3Å; E30-S32 PolarHBondContact O-N 2.03Å; S32-V45 PolarHBondContact O-N 2.89Å; S32-T46 PolarHBondContact O-N 2.84Å; S32-G49 WeakPolarHBondContact O-CA 3.33Å
33V98.5Very high97.8Very high0 Ų049 Ų490%023%0.231CC..EExtended strand (participates in β ladder)trans-141.2143.7-176.2-171.90000110.5C25 Y42 G49 D52 A53 W56C25-V33 HydrophobicContact CB-CB 4.18Å; C25-V33 PolarHBondContact N-O 2.97Å; V33-Y42 HydrophobicContact CG1-CD1 3.96Å; V33-G49 WeakPolarHBondContact CG2-O 3.28Å; V33-D52 HydrophobicContact CG2-CB 3.78Å; V33-A53 HydrophobicContact CG1-CB 4.22Å; V33-W56 HydrophobicContact CB-CZ3 4.03Å; V33-W56 HydrophobicContact CG1-CE3 3.93Å; V33-W56 HydrophobicContact CG1-CZ3 3.64Å; V33-W56 HydrophobicContact CG2-CZ3 4.44Å
34R98.7Very high97.8Very high72 Ų7250.6 Ų50.627%0.27225%0.245SC..EExtended strand (participates in β ladder)trans-135.3132.1175.9-177.2-178.3-62175.65.6111.8E23 R24 E31 Y42 R43 V45E23-R34 CarbonylContact O-C 3.58Å; E23-R34 VanDerWaalsContact O-CA 3.25Å; E23-R34 WeakPolarHBondContact O-CA 3.41Å; R24-R34 HydrophobicContact CG-CG 4.34Å; E31-R34 IonicContact OE1-CZ 3.79Å; E31-R34 VanDerWaalsContact OE1-CZ 3.28Å; E31-R34 IonicContact OE1-NE 3.5Å; E31-R34 PolarHBondContact OE1-NE 2.9Å; E31-R34 IonicContact OE1-NH2 3.9Å; E31-R34 PolarHBondContact OE1-NH2 2.71Å; E31-R34 IonicContact OE2-CZ 3.71Å; E31-R34 IonicContact OE2-NE 2.95Å; E31-R34 IonicContact OE2-NH2 2.63Å; E31-R34 PolarHBondContact OE2-NH2 3.25Å; R34-Y42 CarbonylContact O-C 3.58Å; R34-Y42 WeakPolarHBondContact O-CA 3.42Å; R34-R43 PolarHBondContact N-O 3.17Å; R34-R43 PolarHBondContact O-N 3.32Å; R34-V45 HydrophobicContact CB-CG2 3.89Å
35F98.8Very high97.8Very high0 Ų051.4 Ų51.40%026%0.256CS..EExtended strand (participates in β ladder)trans-93135.9153.8-179.5-89.8000109L22 E23 G40 Y42 L63 R66 R67L22-F35 WeakPolarHBondContact CA-O 3.43Å; E23-F35 HydrophobicContact CB-CB 4.1Å; E23-F35 PolarHBondContact N-O 2.9Å; E23-F35 PolarHBondContact O-N 3.02Å; F35-G40 VanDerWaalsContact CE2-C 3.49Å; F35-Y42 HydrophobicContact CB-CD1 3.57Å; F35-Y42 HydrophobicContact CB-CD2 4.47Å; F35-Y42 HydrophobicContact CB-CE1 3.54Å; F35-Y42 HydrophobicContact CB-CE2 4.42Å; F35-Y42 HydrophobicContact CB-CG 4.09Å; F35-Y42 AromaticContact CD2-CD2 3.99Å; F35-Y42 HydrophobicContact CD2-CD2 3.99Å; F35-Y42 HydrophobicContact CD2-CE2 4Å; F35-Y42 HydrophobicContact CD2-CG 4.29Å; F35-Y42 HydrophobicContact CG-CE1 4.46Å; F35-L63 HydrophobicContact CD2-CD2 4.36Å; F35-L63 HydrophobicContact CE2-CD2 4.06Å; F35-R66 HydrophobicContact CD1-CB 4.05Å; F35-R66 HydrophobicContact CD2-CB 4Å; F35-R66 HydrophobicContact CE1-CB 3.72Å; F35-R66 HydrophobicContact CE2-CB 3.66Å; F35-R66 HydrophobicContact CG-CB 4.19Å; F35-R66 HydrophobicContact CZ-CB 3.52Å; F35-R67 HydrophobicContact CZ-CG 4.01Å
36D98.6Very high97.8Very high17 Ų1752.9 Ų52.99%0.09127%0.265CS..EExtended strand (participates in β ladder)trans-129.4120176.4-175.7-10.6000108.5R20 L22 D38 V39 G40R20-D36 IonicContact CZ-OD1 3.85Å; R20-D36 IonicContact CZ-OD2 3.67Å; R20-D36 IonicContact NE-OD1 2.95Å; R20-D36 PolarHBondContact NE-OD1 3.02Å; R20-D36 IonicContact NE-OD2 3.88Å; R20-D36 PolarHBondContact NE-OD2 3.3Å; R20-D36 IonicContact NH2-OD1 3.46Å; R20-D36 IonicContact NH2-OD2 3.61Å; R20-D36 PolarHBondContact NH2-OD2 3.05Å; L22-D36 HydrophobicContact CD2-CB 3.82Å; D36-D38 PolarHBondContact O-N 2.86Å; D36-D38 PolarHBondContact OD1-N 3.22Å; D36-D38 VanDerWaalsContact OD1-N 3.11Å; D36-V39 HydrophobicContact CB-CB 4.25Å; D36-V39 HydrophobicContact CB-CG2 3.95Å; D36-V39 CarbonylContact O-C 3.56Å; D36-V39 WeakPolarHBondContact O-CA 3.41Å; D36-V39 PolarHBondContact O-N 2.69Å; D36-G40 PolarHBondContact O-N 2.95Å
37S98.4Very high97.7Very high25 Ų2558.7 Ų58.718%0.17529%0.292CS..THydrogen-bonded Turntrans-61.8-26.5-177.6620000113.6R20 L21 V39R20-S37 WeakPolarHBondContact CA-OG 3.42Å; L21-S37 PolarHBondContact N-OG 2.78Å; L21-S37 PolarHBondContact O-N 3.1Å; S37-V39 PolarHBondContact O-N 3.4Å
38D97.9Very high97.7Very high77 Ų7759 Ų5941%0.41230%0.3SS..THydrogen-bonded Turntrans-71.1-22.2176.3-74.84.5000111.5R18 R20 D36R18-D38 IonicContact CZ-OD2 3.99Å; R18-D38 IonicContact NH2-OD2 3.16Å; R18-D38 PolarHBondContact NH2-OD2 3.42Å; R20-D38 IonicContact NE-OD2 3.05Å; D36-D38 PolarHBondContact O-N 2.86Å; D36-D38 PolarHBondContact OD1-N 3.22Å; D36-D38 VanDerWaalsContact OD1-N 3.11Å
39V98.3Very high97.9Very high81 Ų8155.9 Ų55.949%0.49128%0.283SS..THydrogen-bonded Turntrans-96.5-38.2175.4-172.90000111D36 S37 E41D36-V39 HydrophobicContact CB-CB 4.25Å; D36-V39 HydrophobicContact CB-CG2 3.95Å; D36-V39 CarbonylContact O-C 3.56Å; D36-V39 WeakPolarHBondContact O-CA 3.41Å; D36-V39 PolarHBondContact O-N 2.69Å; S37-V39 PolarHBondContact O-N 3.4Å; V39-E41 HydrophobicContact CG1-CG 4.03Å
40G98.1Very high98.1Very high10 Ų1053 Ų5310%0.10326%0.264CS..THydrogen-bonded Turntrans84.713.3176.800000115.2F35 D36 R67F35-G40 VanDerWaalsContact CE2-C 3.49Å; D36-G40 PolarHBondContact O-N 2.95Å; G40-R67 VanDerWaalsContact O-CZ 3.25Å; G40-R67 PolarHBondContact O-NE 3.42Å; G40-R67 PolarHBondContact O-NH2 2.95Å
41E98.5Very high98.1Very high58 Ų5851.9 Ų51.927%0.27127%0.266SS..EExtended strand (participates in β ladder)trans-152.1167.6177.968.2-175.9-167.700111.6V39 R43 N57 L63V39-E41 HydrophobicContact CG1-CG 4.03Å; E41-R43 IonicContact OE1-CZ 2.7Å; E41-R43 IonicContact OE1-NE 3.67Å; E41-R43 PolarHBondContact OE1-NE 2.86Å; E41-R43 IonicContact OE1-NH2 2.63Å; E41-R43 PolarHBondContact OE1-NH2 2.83Å; E41-N57 WeakPolarHBondContact CB-OD1 3.38Å; E41-L63 HydrophobicContact CB-CD2 4.31Å
42Y98.6Very high98.1Very high4 Ų454.1 Ų54.12%0.01628%0.278CS..EExtended strand (participates in β ladder)trans-78.7136.1173-67.9-91.4000110.8E23 V33 R34 F35 W56 N57 L62 L63 R66E23-Y42 PolarHBondContact OE2-OH 2.74Å; E23-Y42 VanDerWaalsContact OE2-OH 3.1Å; V33-Y42 HydrophobicContact CG1-CD1 3.96Å; R34-Y42 CarbonylContact O-C 3.58Å; R34-Y42 WeakPolarHBondContact O-CA 3.42Å; F35-Y42 HydrophobicContact CB-CD1 3.57Å; F35-Y42 HydrophobicContact CB-CD2 4.47Å; F35-Y42 HydrophobicContact CB-CE1 3.54Å; F35-Y42 HydrophobicContact CB-CE2 4.42Å; F35-Y42 HydrophobicContact CB-CG 4.09Å; F35-Y42 AromaticContact CD2-CD2 3.99Å; F35-Y42 HydrophobicContact CD2-CD2 3.99Å; F35-Y42 HydrophobicContact CD2-CE2 4Å; F35-Y42 HydrophobicContact CD2-CG 4.29Å; F35-Y42 HydrophobicContact CG-CE1 4.46Å; Y42-W56 HydrophobicContact CD1-CD2 4.38Å; Y42-W56 AromaticContact CD1-CE3 3.34Å; Y42-W56 HydrophobicContact CD1-CE3 3.34Å; Y42-W56 AromaticContact CD1-CZ3 3.85Å; Y42-W56 HydrophobicContact CD1-CZ3 3.85Å; Y42-W56 HydrophobicContact CD2-CB 3.59Å; Y42-W56 HydrophobicContact CD2-CE3 4.34Å; Y42-W56 HydrophobicContact CE1-CD2 4.26Å; Y42-W56 AromaticContact CE1-CE3 3.4Å; Y42-W56 HydrophobicContact CE1-CE3 3.4Å; Y42-W56 AromaticContact CE1-CZ3 3.8Å; Y42-W56 HydrophobicContact CE1-CZ3 3.8Å; Y42-W56 HydrophobicContact CE2-CB 3.77Å; Y42-W56 HydrophobicContact CE2-CE3 4.41Å; Y42-W56 HydrophobicContact CE2-CG 4.47Å; Y42-W56 HydrophobicContact CG-CB 4.04Å; Y42-W56 AromaticContact CG-CE3 3.81Å; Y42-W56 HydrophobicContact CG-CE3 3.81Å; Y42-W56 AromaticContact CZ-CE3 3.96Å; Y42-N57 PolarHBondContact N-OD1 2.83Å; Y42-N57 PolarHBondContact O-ND2 2.86Å; Y42-L62 HydrophobicContact CE2-CD2 4.17Å; Y42-L62 HydrophobicContact CE2-CG 4.34Å; Y42-L63 HydrophobicContact CD2-CD2 3.88Å; Y42-L63 HydrophobicContact CE2-CD2 4.15Å; Y42-R66 HydrophobicContact CE2-CG 4.31Å; Y42-R66 WeakPolarHBondContact OH-CG 3.5Å; Y42-R66 PolarHBondContact OH-NE 3.46Å
43R98.6Very high98.1Very high148 Ų14854.1 Ų54.156%0.55828%0.279SS*.EExtended strand (participates in β ladder)trans-124132174-71.6-76.3177.8143.5-4109R34 E41 V45R34-R43 PolarHBondContact N-O 3.17Å; R34-R43 PolarHBondContact O-N 3.32Å; E41-R43 IonicContact OE1-CZ 2.7Å; E41-R43 IonicContact OE1-NE 3.67Å; E41-R43 PolarHBondContact OE1-NE 2.86Å; E41-R43 IonicContact OE1-NH2 2.63Å; E41-R43 PolarHBondContact OE1-NH2 2.83Å; R43-V45 PolarHBondContact O-N 2.93Å
44A98.3Very high98.1Very high42 Ų4260.1 Ų60.135%0.34731%0.307SS..EExtended strand (participates in β ladder)trans-65.7125.6167.400000108.8R50 A53A44-R50 HydrophobicContact CB-CB 4.35Å; A44-A53 HydrophobicContact CB-CB 4.21Å
45V98.2Very high98.1Very high73 Ų7363.2 Ų63.244%0.44232%0.32SS..SBendtrans-87.5-30.5173.4178.70000109.7E31 S32 R34 R43E31-V45 HydrophobicContact CB-CG1 4.42Å; E31-V45 HydrophobicContact CG-CB 4.36Å; E31-V45 HydrophobicContact CG-CG1 4.48Å; E31-V45 HydrophobicContact CG-CG2 4.06Å; E31-V45 WeakPolarHBondContact O-CB 3.45Å; E31-V45 WeakPolarHBondContact O-CG1 3.42Å; S32-V45 PolarHBondContact O-N 2.89Å; R34-V45 HydrophobicContact CB-CG2 3.89Å; R43-V45 PolarHBondContact O-N 2.93Å
46T97.6Very high98.1Very high33 Ų3365.6 Ų65.620%0.20233%0.329CS..SBendtrans-133.7164.6175.272.60000110.1E30 E31 S32 L48 G49E30-T46 HydrophobicContact CG-CG2 3.94Å; E30-T46 WeakPolarHBondContact OE1-CB 3.42Å; E30-T46 WeakPolarHBondContact OE1-CG2 3.26Å; E30-T46 PolarHBondContact OE1-OG1 3.42Å; E31-T46 VanDerWaalsContact O-CG2 3.32Å; E31-T46 WeakPolarHBondContact O-CG2 3.48Å; S32-T46 PolarHBondContact O-N 2.84Å; T46-L48 PolarHBondContact O-N 2.86Å; T46-L48 VanDerWaalsContact O-N 3.16Å; T46-G49 PolarHBondContact O-N 2.96Å
47E96.9Very high98.1Very high132 Ų13266.9 Ų66.962%0.61734%0.335SS*.G310 helixtrans-56.5-33.3-177.8-67.3-64.1112.700112.8G49 R50E47-G49 PolarHBondContact O-N 2.9Å; E47-R50 WeakPolarHBondContact O-CB 3.29Å; E47-R50 PolarHBondContact O-N 2.99Å; E47-R50 IonicContact OE1-CZ 3.77Å; E47-R50 IonicContact OE1-NH2 3.28Å; E47-R50 PolarHBondContact OE1-NH2 3.01Å; E47-R50 IonicContact OE2-CZ 2.62Å; E47-R50 IonicContact OE2-NH1 2.83Å; E47-R50 PolarHBondContact OE2-NH1 2.98Å; E47-R50 IonicContact OE2-NH2 3.06Å; E47-R50 PolarHBondContact OE2-NH2 3.46Å
48L95.6Very high98.1Very high98 Ų9869.5 Ų69.551%0.51335%0.354SS..G310 helixtrans-58.9-32.5177.5-176.765.9000112.4Y27 T46 P51Y27-L48 HydrophobicContact CD1-CD2 4.42Å; Y27-L48 HydrophobicContact CG-CD2 4.29Å; T46-L48 PolarHBondContact O-N 2.86Å; T46-L48 VanDerWaalsContact O-N 3.16Å; L48-P51 WeakPolarHBondContact O-CD 3.36Å
49G97.8Very high98.1Very high0 Ų069.1 Ų69.10%035%0.35CS..G310 helixtrans-86.1-6.4-17700000115.4S32 V33 T46 E47 D52 A53S32-G49 WeakPolarHBondContact O-CA 3.33Å; V33-G49 WeakPolarHBondContact CG2-O 3.28Å; T46-G49 PolarHBondContact O-N 2.96Å; E47-G49 PolarHBondContact O-N 2.9Å; G49-D52 PolarHBondContact O-N 3.05Å; G49-A53 WeakPolarHBondContact O-CB 3.45Å; G49-A53 PolarHBondContact O-N 3.43Å
50R98.4Very high98.1Very high117 Ų11772.8 Ų72.844%0.44236%0.359SS..Hα-helixtrans-54.3-51.6179.6-172179.6-64.3156.92.7113.8A44 E47 D52 A53 E54A44-R50 HydrophobicContact CB-CB 4.35Å; E47-R50 WeakPolarHBondContact O-CB 3.29Å; E47-R50 PolarHBondContact O-N 2.99Å; E47-R50 IonicContact OE1-CZ 3.77Å; E47-R50 IonicContact OE1-NH2 3.28Å; E47-R50 PolarHBondContact OE1-NH2 3.01Å; E47-R50 IonicContact OE2-CZ 2.62Å; E47-R50 IonicContact OE2-NH1 2.83Å; E47-R50 PolarHBondContact OE2-NH1 2.98Å; E47-R50 IonicContact OE2-NH2 3.06Å; E47-R50 PolarHBondContact OE2-NH2 3.46Å; R50-D52 VanDerWaalsContact C-N 3.31Å; R50-D52 PolarHBondContact O-N 3.11Å; R50-A53 PolarHBondContact O-N 3.43Å; R50-E54 WeakPolarHBondContact CG-OE1 3.47Å; R50-E54 WeakPolarHBondContact O-CG 3.48Å; R50-E54 PolarHBondContact O-N 3.34Å
51P98.3Very high98.1Very high78 Ų7878 Ų7851%0.50639%0.385SS..Hα-helixtrans-62.1-39.1-179.123.7-34.6000112.5L48 Y55L48-P51 WeakPolarHBondContact O-CD 3.36Å; P51-Y55 VanDerWaalsContact O-CB 3.26Å; P51-Y55 WeakPolarHBondContact O-CB 3.41Å; P51-Y55 PolarHBondContact O-N 2.62Å
52D97.9Very high98.1Very high66 Ų6676.8 Ų76.835%0.35338%0.38SS..Hα-helixtrans-66.1-45.2178.8-70.2-25.9000111.3V33 G49 R50 Y55 W56V33-D52 HydrophobicContact CG2-CB 3.78Å; G49-D52 PolarHBondContact O-N 3.05Å; R50-D52 VanDerWaalsContact C-N 3.31Å; R50-D52 PolarHBondContact O-N 3.11Å; D52-Y55 PolarHBondContact O-N 3.37Å; D52-W56 HydrophobicContact CB-CD2 4.49Å; D52-W56 HydrophobicContact CB-CE3 4.4Å; D52-W56 HydrophobicContact CB-CH2 4.29Å; D52-W56 HydrophobicContact CB-CZ2 4.34Å; D52-W56 HydrophobicContact CB-CZ3 4.33Å; D52-W56 WeakPolarHBondContact O-CB 3.35Å; D52-W56 VanDerWaalsContact O-CG 3.22Å; D52-W56 PolarHBondContact O-N 2.63Å
53A98.5Very high98Very high6 Ų677.2 Ų77.25%0.0538%0.382CS..Hα-helixtrans-62-45.3177.800000111.9V33 A44 G49 R50 N57V33-A53 HydrophobicContact CG1-CB 4.22Å; A44-A53 HydrophobicContact CB-CB 4.21Å; G49-A53 WeakPolarHBondContact O-CB 3.45Å; G49-A53 PolarHBondContact O-N 3.43Å; R50-A53 PolarHBondContact O-N 3.43Å; A53-N57 VanDerWaalsContact O-CB 3.22Å; A53-N57 WeakPolarHBondContact O-CB 3.37Å; A53-N57 PolarHBondContact O-N 3.26Å; A53-N57 PolarHBondContact O-ND2 3.01Å; A53-N57 VanDerWaalsContact O-ND2 3.1Å
54E98.4Very high98Very high125 Ų12576 Ų7658%0.58438%0.383SS*.Hα-helixtrans-61.3-46.9176.1-72.6173.1-17100111.6R50 N57 S58R50-E54 WeakPolarHBondContact CG-OE1 3.47Å; R50-E54 WeakPolarHBondContact O-CG 3.48Å; R50-E54 PolarHBondContact O-N 3.34Å; E54-N57 PolarHBondContact O-N 3.18Å; E54-S58 PolarHBondContact O-N 3.06Å
55Y98.5Very high98Very high137 Ų13779.7 Ų79.754%0.53739%0.393SS..Hα-helixtrans-65.1-46-179.5176.8-116.9000112.3P51 D52 S58 Q59P51-Y55 VanDerWaalsContact O-CB 3.26Å; P51-Y55 WeakPolarHBondContact O-CB 3.41Å; P51-Y55 PolarHBondContact O-N 2.62Å; D52-Y55 PolarHBondContact O-N 3.37Å; Y55-S58 WeakPolarHBondContact O-CB 3.21Å; Y55-S58 PolarHBondContact O-N 2.88Å; Y55-S58 PolarHBondContact O-OG 2.86Å; Y55-Q59 PolarHBondContact O-N 2.7Å
56W98.5Very high98Very high50 Ų5079 Ų7919%0.18938%0.382CS..Hα-helixtrans-69.2-34.7179.4-65.2-20.2000112.4C25 V33 Y42 D52 S58 Q59 L62C25-W56 VanDerWaalsContact SG-CH2 3.5Å; V33-W56 HydrophobicContact CB-CZ3 4.03Å; V33-W56 HydrophobicContact CG1-CE3 3.93Å; V33-W56 HydrophobicContact CG1-CZ3 3.64Å; V33-W56 HydrophobicContact CG2-CZ3 4.44Å; Y42-W56 HydrophobicContact CD1-CD2 4.38Å; Y42-W56 AromaticContact CD1-CE3 3.34Å; Y42-W56 HydrophobicContact CD1-CE3 3.34Å; Y42-W56 AromaticContact CD1-CZ3 3.85Å; Y42-W56 HydrophobicContact CD1-CZ3 3.85Å; Y42-W56 HydrophobicContact CD2-CB 3.59Å; Y42-W56 HydrophobicContact CD2-CE3 4.34Å; Y42-W56 HydrophobicContact CE1-CD2 4.26Å; Y42-W56 AromaticContact CE1-CE3 3.4Å; Y42-W56 HydrophobicContact CE1-CE3 3.4Å; Y42-W56 AromaticContact CE1-CZ3 3.8Å; Y42-W56 HydrophobicContact CE1-CZ3 3.8Å; Y42-W56 HydrophobicContact CE2-CB 3.77Å; Y42-W56 HydrophobicContact CE2-CE3 4.41Å; Y42-W56 HydrophobicContact CE2-CG 4.47Å; Y42-W56 HydrophobicContact CG-CB 4.04Å; Y42-W56 AromaticContact CG-CE3 3.81Å; Y42-W56 HydrophobicContact CG-CE3 3.81Å; Y42-W56 AromaticContact CZ-CE3 3.96Å; D52-W56 HydrophobicContact CB-CD2 4.49Å; D52-W56 HydrophobicContact CB-CE3 4.4Å; D52-W56 HydrophobicContact CB-CH2 4.29Å; D52-W56 HydrophobicContact CB-CZ2 4.34Å; D52-W56 HydrophobicContact CB-CZ3 4.33Å; D52-W56 WeakPolarHBondContact O-CB 3.35Å; D52-W56 VanDerWaalsContact O-CG 3.22Å; D52-W56 PolarHBondContact O-N 2.63Å; W56-S58 VanDerWaalsContact C-N 3.25Å; W56-S58 PolarHBondContact O-N 2.9Å; W56-Q59 PolarHBondContact O-N 2.75Å; W56-L62 HydrophobicContact CB-CD2 3.87Å; W56-L62 HydrophobicContact CG-CD2 3.95Å
57N98.6Very high98Very high44 Ų4483.2 Ų83.224%0.23540%0.395CS..Hα-helixtrans-69-24.8173.8-71.9-23.5000113.1E41 Y42 A53 E54 Q59 L63E41-N57 WeakPolarHBondContact CB-OD1 3.38Å; Y42-N57 PolarHBondContact N-OD1 2.83Å; Y42-N57 PolarHBondContact O-ND2 2.86Å; A53-N57 VanDerWaalsContact O-CB 3.22Å; A53-N57 WeakPolarHBondContact O-CB 3.37Å; A53-N57 PolarHBondContact O-N 3.26Å; A53-N57 PolarHBondContact O-ND2 3.01Å; A53-N57 VanDerWaalsContact O-ND2 3.1Å; E54-N57 PolarHBondContact O-N 3.18Å; N57-Q59 VanDerWaalsContact C-N 3.25Å; N57-Q59 PolarHBondContact O-N 3.46Å; N57-L63 HydrophobicContact CB-CD1 4.37Å; N57-L63 WeakPolarHBondContact O-CD1 3.34Å
58S98.3Very high98.1Very high81 Ų8179 Ų7957%0.56638%0.383SS*.Hα-helixtrans-71.7-20.7173.781.90000113.1E54 Y55 W56 K60E54-S58 PolarHBondContact O-N 3.06Å; Y55-S58 WeakPolarHBondContact O-CB 3.21Å; Y55-S58 PolarHBondContact O-N 2.88Å; Y55-S58 PolarHBondContact O-OG 2.86Å; W56-S58 VanDerWaalsContact C-N 3.25Å; W56-S58 PolarHBondContact O-N 2.9Å; S58-K60 PolarHBondContact O-N 3.19Å
59Q98.5Very high98.2Very high69 Ų6975 Ų7532%0.32236%0.363SS..  trans-90.193-179.8-68.3178.677.600110.9Y55 W56 N57 D61 L62 L63Y55-Q59 PolarHBondContact O-N 2.7Å; W56-Q59 PolarHBondContact O-N 2.75Å; N57-Q59 VanDerWaalsContact C-N 3.25Å; N57-Q59 PolarHBondContact O-N 3.46Å; Q59-D61 PolarHBondContact O-N 2.78Å; Q59-L62 HydrophobicContact CB-CB 3.85Å; Q59-L62 HydrophobicContact CB-CD2 4.46Å; Q59-L62 WeakPolarHBondContact O-CB 3.4Å; Q59-L62 PolarHBondContact O-N 2.77Å; Q59-L63 PolarHBondContact O-N 3.11Å; Q59-L63 VanDerWaalsContact O-N 3.07Å
60K97.6Very high98.3Very high158 Ų15875.7 Ų75.769%0.68737%0.368SS*.Hα-helixtrans-56.3-46.1-177-66.1-174.3178.2-178.70113.2S58 L62 L63 E64S58-K60 PolarHBondContact O-N 3.19Å; K60-L62 VanDerWaalsContact C-N 3.27Å; K60-L62 PolarHBondContact O-N 2.94Å; K60-L63 PolarHBondContact O-N 3.1Å; K60-L63 VanDerWaalsContact O-N 3.17Å; K60-E64 WeakPolarHBondContact O-CG 3.32Å; K60-E64 PolarHBondContact O-N 3.47Å
61D98.3Very high98.3Very high119 Ų11974.4 Ų74.464%0.63637%0.37SS*.Hα-helixtrans-60.8-39-179.4-57.4-11000111.5Q59 Q65Q59-D61 PolarHBondContact O-N 2.78Å; D61-Q65 WeakPolarHBondContact O-CB 3.25Å; D61-Q65 WeakPolarHBondContact O-CG 3.33Å; D61-Q65 PolarHBondContact O-N 2.63Å
62L97.8Very high98.2Very high32 Ų3275.3 Ų75.317%0.16837%0.374CS..Hα-helixtrans-65.5-47.3176.3177.964.7000110.9Y42 W56 Q59 K60 E64 Q65 R66Y42-L62 HydrophobicContact CE2-CD2 4.17Å; Y42-L62 HydrophobicContact CE2-CG 4.34Å; W56-L62 HydrophobicContact CB-CD2 3.87Å; W56-L62 HydrophobicContact CG-CD2 3.95Å; Q59-L62 HydrophobicContact CB-CB 3.85Å; Q59-L62 HydrophobicContact CB-CD2 4.46Å; Q59-L62 WeakPolarHBondContact O-CB 3.4Å; Q59-L62 PolarHBondContact O-N 2.77Å; K60-L62 VanDerWaalsContact C-N 3.27Å; K60-L62 PolarHBondContact O-N 2.94Å; L62-E64 PolarHBondContact O-N 3.43Å; L62-Q65 PolarHBondContact O-N 2.95Å; L62-R66 HydrophobicContact CD1-CG 4.4Å; L62-R66 WeakPolarHBondContact O-CG 3.26Å; L62-R66 PolarHBondContact O-N 2.92Å
63L97.9Very high98.2Very high14 Ų1477.5 Ų77.57%0.07338%0.378CS..Hα-helixtrans-60.9-43.7178.1-81.9-177.1000112.3F35 E41 Y42 N57 Q59 K60 R66 R67F35-L63 HydrophobicContact CD2-CD2 4.36Å; F35-L63 HydrophobicContact CE2-CD2 4.06Å; E41-L63 HydrophobicContact CB-CD2 4.31Å; Y42-L63 HydrophobicContact CD2-CD2 3.88Å; Y42-L63 HydrophobicContact CE2-CD2 4.15Å; N57-L63 HydrophobicContact CB-CD1 4.37Å; N57-L63 WeakPolarHBondContact O-CD1 3.34Å; Q59-L63 PolarHBondContact O-N 3.11Å; Q59-L63 VanDerWaalsContact O-N 3.07Å; K60-L63 PolarHBondContact O-N 3.1Å; K60-L63 VanDerWaalsContact O-N 3.17Å; L63-R66 PolarHBondContact O-N 3.26Å; L63-R67 WeakPolarHBondContact O-CB 3.38Å; L63-R67 WeakPolarHBondContact O-CD 3.21Å; L63-R67 VanDerWaalsContact O-CG 3.22Å; L63-R67 WeakPolarHBondContact O-CG 3.48Å; L63-R67 PolarHBondContact O-N 3.39Å
64E98.3Very high98.2Very high121 Ų12177.2 Ų77.257%0.56538%0.376SS*.Hα-helixtrans-62.6-44.1176.8-72.8-178.117900111.4K60 L62 R66 R67 A68K60-E64 WeakPolarHBondContact O-CG 3.32Å; K60-E64 PolarHBondContact O-N 3.47Å; L62-E64 PolarHBondContact O-N 3.43Å; E64-R66 VanDerWaalsContact C-N 3.34Å; E64-R66 PolarHBondContact O-N 3.33Å; E64-R67 PolarHBondContact O-N 2.93Å; E64-A68 WeakPolarHBondContact O-CB 3.37Å; E64-A68 PolarHBondContact O-N 3.32Å
65Q98.2Very high98.1Very high121 Ų12174.6 Ų74.657%0.56536%0.36SS*.Hα-helixtrans-59.6-42.6174.6-75.2175.919.200112.3D61 L62 A68 A69D61-Q65 WeakPolarHBondContact O-CB 3.25Å; D61-Q65 WeakPolarHBondContact O-CG 3.33Å; D61-Q65 PolarHBondContact O-N 2.63Å; L62-Q65 PolarHBondContact O-N 2.95Å; Q65-A68 PolarHBondContact O-N 2.99Å; Q65-A69 WeakPolarHBondContact O-CB 3.39Å; Q65-A69 PolarHBondContact O-N 3.48Å
66R98.1Very high98Very high57 Ų5774 Ų7422%0.21536%0.362CS..Hα-helixtrans-69.2-37.3178.4-67.9-49.9-170.6-127.111.1113.4E23 F35 Y42 L62 L63 E64 A68 A69E23-R66 IonicContact OE1-CZ 3.35Å; E23-R66 IonicContact OE1-NE 2.7Å; E23-R66 IonicContact OE1-NH2 3.16Å; E23-R66 PolarHBondContact OE1-NH2 3.23Å; E23-R66 VanDerWaalsContact OE2-CD 3.26Å; E23-R66 WeakPolarHBondContact OE2-CD 3.4Å; E23-R66 IonicContact OE2-CZ 3.8Å; E23-R66 IonicContact OE2-NE 2.78Å; E23-R66 PolarHBondContact OE2-NE 3.18Å; E23-R66 IonicContact OE2-NH2 2.64Å; E23-R66 PolarHBondContact OE2-NH2 3.14Å; F35-R66 HydrophobicContact CD1-CB 4.05Å; F35-R66 HydrophobicContact CD2-CB 4Å; F35-R66 HydrophobicContact CE1-CB 3.72Å; F35-R66 HydrophobicContact CE2-CB 3.66Å; F35-R66 HydrophobicContact CG-CB 4.19Å; F35-R66 HydrophobicContact CZ-CB 3.52Å; Y42-R66 HydrophobicContact CE2-CG 4.31Å; Y42-R66 WeakPolarHBondContact OH-CG 3.5Å; Y42-R66 PolarHBondContact OH-NE 3.46Å; L62-R66 HydrophobicContact CD1-CG 4.4Å; L62-R66 WeakPolarHBondContact O-CG 3.26Å; L62-R66 PolarHBondContact O-N 2.92Å; L63-R66 PolarHBondContact O-N 3.26Å; E64-R66 VanDerWaalsContact C-N 3.34Å; E64-R66 PolarHBondContact O-N 3.33Å; R66-A68 VanDerWaalsContact C-N 3.34Å; R66-A69 WeakPolarHBondContact O-CB 3.45Å; R66-A69 PolarHBondContact O-N 3.32Å
67R98.3Very high97.9Very high122 Ų12274.5 Ų74.546%0.4637%0.369SS..Hα-helixtrans-63-42.7172.6-70.4165.8-176.3170.30.4111.1F35 G40 L63 E64 A69F35-R67 HydrophobicContact CZ-CG 4.01Å; G40-R67 VanDerWaalsContact O-CZ 3.25Å; G40-R67 PolarHBondContact O-NE 3.42Å; G40-R67 PolarHBondContact O-NH2 2.95Å; L63-R67 WeakPolarHBondContact O-CB 3.38Å; L63-R67 WeakPolarHBondContact O-CD 3.21Å; L63-R67 VanDerWaalsContact O-CG 3.22Å; L63-R67 WeakPolarHBondContact O-CG 3.48Å; L63-R67 PolarHBondContact O-N 3.39Å; E64-R67 PolarHBondContact O-N 2.93Å; R67-A69 VanDerWaalsContact C-N 3.3Å; R67-A69 PolarHBondContact O-N 3.38Å
68A98.5Very high97.7Very high44 Ų4473.8 Ų73.836%0.36436%0.363SS..Hα-helixtrans-70.9-23178.600000113.7E64 Q65 R66 V70 D71 T72E64-A68 WeakPolarHBondContact O-CB 3.37Å; E64-A68 PolarHBondContact O-N 3.32Å; Q65-A68 PolarHBondContact O-N 2.99Å; R66-A68 VanDerWaalsContact C-N 3.34Å; A68-V70 PolarHBondContact O-N 3.34Å; A68-V70 VanDerWaalsContact O-N 3.11Å; A68-D71 PolarHBondContact O-N 2.95Å; A68-T72 HydrophobicContact CB-CG2 4.44Å; A68-T72 PolarHBondContact O-N 3.24Å; A68-T72 PolarHBondContact O-OG1 2.99Å
69A98.4Very high97.5Very high13 Ų1372.3 Ų72.311%0.10736%0.361CS..Hα-helixtrans-63.4-16.9-176.900000114.3L21 Q65 R66 R67 D71 T72 Y73 C74L21-A69 HydrophobicContact CD2-CB 3.48Å; L21-A69 VanDerWaalsContact CD2-CB 3.48Å; Q65-A69 WeakPolarHBondContact O-CB 3.39Å; Q65-A69 PolarHBondContact O-N 3.48Å; R66-A69 WeakPolarHBondContact O-CB 3.45Å; R66-A69 PolarHBondContact O-N 3.32Å; R67-A69 VanDerWaalsContact C-N 3.3Å; R67-A69 PolarHBondContact O-N 3.38Å; A69-D71 VanDerWaalsContact C-N 3.27Å; A69-D71 PolarHBondContact O-N 2.81Å; A69-T72 WeakPolarHBondContact CA-OG1 3.41Å; A69-Y73 WeakPolarHBondContact O-CA 3.33Å; A69-Y73 VanDerWaalsContact O-CB 3.28Å; A69-Y73 WeakPolarHBondContact O-CB 3.46Å; A69-Y73 PolarHBondContact O-N 3.23Å; A69-C74 PolarHBondContact O-N 2.84Å
70V98.4Very high97.3Very high15 Ų1571.8 Ų71.89%0.09137%0.368CS..Iπ-helixtrans-58.9-42.7169.6-172.80000110.7V19 L21 A68 C74 R75V19-V70 HydrophobicContact CB-CG1 3.78Å; V19-V70 HydrophobicContact CG1-CG1 3.89Å; V19-V70 WeakPolarHBondContact O-CG1 3.48Å; L21-V70 HydrophobicContact CB-CG2 4.12Å; A68-V70 PolarHBondContact O-N 3.34Å; A68-V70 VanDerWaalsContact O-N 3.11Å; V70-C74 VanDerWaalsContact O-CB 3.32Å; V70-C74 WeakPolarHBondContact O-CB 3.48Å; V70-R75 PolarHBondContact O-N 3.37Å
71D98.2Very high97Very high91 Ų9167.5 Ų67.549%0.48736%0.355SS..Iπ-helixtrans-86.1-52.1178.4-72.8-61.3000112A68 A69 Y73 R75 H76A68-D71 PolarHBondContact O-N 2.95Å; A69-D71 VanDerWaalsContact C-N 3.27Å; A69-D71 PolarHBondContact O-N 2.81Å; D71-Y73 VanDerWaalsContact C-N 3.31Å; D71-Y73 PolarHBondContact O-N 3.16Å; D71-R75 WeakPolarHBondContact OD1-CD 3.48Å; D71-R75 IonicContact OD1-CZ 3.4Å; D71-R75 IonicContact OD1-NE 2.86Å; D71-R75 IonicContact OD1-NH1 3.4Å; D71-R75 PolarHBondContact OD1-NH1 2.87Å; D71-R75 IonicContact OD2-NH1 3.67Å; D71-R75 PolarHBondContact OD2-NH1 2.78Å; D71-H76 PolarHBondContact O-N 3.3Å
72T97.9Very high96.6Very high96 Ų9664.5 Ų64.559%0.58934%0.337SS*.Iπ-helixtrans-73.7-24.2-169.363.50000113.3A68 A69 H76A68-T72 HydrophobicContact CB-CG2 4.44Å; A68-T72 PolarHBondContact O-N 3.24Å; A68-T72 PolarHBondContact O-OG1 2.99Å; A69-T72 WeakPolarHBondContact CA-OG1 3.41Å; T72-H76 VanDerWaalsContact O-CB 3.29Å; T72-H76 WeakPolarHBondContact O-CB 3.5Å
73Y97.3Very high96Very high112 Ų11265.3 Ų65.344%0.43935%0.346SS..Iπ-helixtrans-113.4-60178.8179.9-97.1000111.7A69 D71 N77A69-Y73 WeakPolarHBondContact O-CA 3.33Å; A69-Y73 VanDerWaalsContact O-CB 3.28Å; A69-Y73 WeakPolarHBondContact O-CB 3.46Å; A69-Y73 PolarHBondContact O-N 3.23Å; D71-Y73 VanDerWaalsContact C-N 3.31Å; D71-Y73 PolarHBondContact O-N 3.16Å; Y73-N77 VanDerWaalsContact CD2-ND2 3.28Å; Y73-N77 WeakPolarHBondContact CD2-ND2 3.22Å; Y73-N77 WeakPolarHBondContact CE2-ND2 3.33Å; Y73-N77 VanDerWaalsContact O-CB 3.24Å; Y73-N77 WeakPolarHBondContact O-CB 3.34Å; Y73-N77 PolarHBondContact O-N 3.32Å; Y73-N77 PolarHBondContact O-ND2 2.8Å
74C97.9Very high95.3Very high1 Ų170.4 Ų70.41%0.00737%0.367CS..Iπ-helixtrans-66.6-57.3-172.2-65.20000112.7C10 F12 V19 A69 V70 H76 N77 Y78C10-C74 HydrophobicContact CB-CB 3.62Å; C10-C74 WeakPolarHBondContact CB-SG 3.24Å; C10-C74 WeakPolarHBondContact SG-CA 3.39Å; C10-C74 WeakPolarHBondContact SG-CB 3.5Å; C10-C74 CovalentContact SG-SG 2.03Å; C10-C74 PolarHBondContact SG-SG 2.85Å; F12-C74 HydrophobicContact CE1-CB 4.28Å; F12-C74 HydrophobicContact CZ-CB 4.04Å; F12-C74 WeakPolarHBondContact CZ-O 3.44Å; V19-C74 HydrophobicContact CG1-CB 3.52Å; A69-C74 PolarHBondContact O-N 2.84Å; V70-C74 VanDerWaalsContact O-CB 3.32Å; V70-C74 WeakPolarHBondContact O-CB 3.48Å; C74-H76 PolarHBondContact O-N 3.17Å; C74-N77 PolarHBondContact O-N 3.07Å; C74-Y78 WeakPolarHBondContact O-CB 3.46Å; C74-Y78 PolarHBondContact O-N 3.36Å
75R97.6Very high94.5Very high70 Ų7068.7 Ų68.726%0.26437%0.365SS..Iπ-helixtrans-64-40.9179.4-71.3-172.3-176.694.21.5112.1T16 V19 V70 D71 Y78 G79T16-R75 HydrophobicContact CG2-CG 4.46Å; T16-R75 PolarHBondContact O-NE 3.14Å; V19-R75 HydrophobicContact CB-CG 4.44Å; V19-R75 HydrophobicContact CG2-CG 3.82Å; V70-R75 PolarHBondContact O-N 3.37Å; D71-R75 WeakPolarHBondContact OD1-CD 3.48Å; D71-R75 IonicContact OD1-CZ 3.4Å; D71-R75 IonicContact OD1-NE 2.86Å; D71-R75 IonicContact OD1-NH1 3.4Å; D71-R75 PolarHBondContact OD1-NH1 2.87Å; D71-R75 IonicContact OD2-NH1 3.67Å; D71-R75 PolarHBondContact OD2-NH1 2.78Å; R75-Y78 PolarHBondContact O-N 3.17Å; R75-G79 PolarHBondContact O-N 2.64Å
76H96.5Very high93.7Very high124 Ų12465.8 Ų65.857%0.57436%0.356SS*.Hα-helixtrans-55-53.7175.3177.972000112.1D71 T72 C74 Y78 G79 A80D71-H76 PolarHBondContact O-N 3.3Å; T72-H76 VanDerWaalsContact O-CB 3.29Å; T72-H76 WeakPolarHBondContact O-CB 3.5Å; C74-H76 PolarHBondContact O-N 3.17Å; H76-Y78 PolarHBondContact O-N 2.9Å; H76-G79 PolarHBondContact O-N 2.78Å; H76-A80 PolarHBondContact O-N 2.7Å; H76-A80 VanDerWaalsContact O-N 3.14Å
77N95.8Very high92.6Very high61 Ų6169.2 Ų69.233%0.32637%0.374SS..Hα-helixtrans-66.9-38.9-178.4-71.7-24.1000112Y73 C74 G79 A80 V81Y73-N77 VanDerWaalsContact CD2-ND2 3.28Å; Y73-N77 WeakPolarHBondContact CD2-ND2 3.22Å; Y73-N77 WeakPolarHBondContact CE2-ND2 3.33Å; Y73-N77 VanDerWaalsContact O-CB 3.24Å; Y73-N77 WeakPolarHBondContact O-CB 3.34Å; Y73-N77 PolarHBondContact O-N 3.32Å; Y73-N77 PolarHBondContact O-ND2 2.8Å; C74-N77 PolarHBondContact O-N 3.07Å; N77-G79 PolarHBondContact O-N 3.35Å; N77-A80 WeakPolarHBondContact O-CB 3.49Å; N77-A80 PolarHBondContact O-N 3.03Å; N77-V81 WeakPolarHBondContact O-CG2 3.32Å; N77-V81 PolarHBondContact O-N 3.38Å; N77-V81 VanDerWaalsContact O-N 3.11Å
78Y94.9Very high91.1Very high28 Ų2872 Ų7211%0.1138%0.384CS..Hα-helixtrans-56.9-51.1175.3-175-87.6000110.8F12 T16 C74 R75 H76 A80 V81 E82 V86F12-Y78 HydrophobicContact CB-CE2 4.37Å; F12-Y78 AromaticContact CD1-CD2 3.63Å; F12-Y78 HydrophobicContact CD1-CD2 3.63Å; F12-Y78 HydrophobicContact CD1-CE2 4.22Å; F12-Y78 AromaticContact CD1-CG 3.97Å; F12-Y78 HydrophobicContact CD1-CG 3.97Å; F12-Y78 AromaticContact CD2-CD2 3.86Å; F12-Y78 HydrophobicContact CD2-CD2 3.86Å; F12-Y78 HydrophobicContact CD2-CE2 4.37Å; F12-Y78 VanDerWaalsContact CE1-CB 3.48Å; F12-Y78 AromaticContact CE1-CD2 3.7Å; F12-Y78 HydrophobicContact CE1-CD2 3.7Å; F12-Y78 AromaticContact CE1-CG 3.75Å; F12-Y78 HydrophobicContact CE1-CG 3.75Å; F12-Y78 AromaticContact CE2-CD2 3.9Å; F12-Y78 HydrophobicContact CE2-CD2 3.9Å; F12-Y78 AromaticContact CG-CD2 3.73Å; F12-Y78 HydrophobicContact CG-CD2 3.73Å; F12-Y78 HydrophobicContact CG-CE2 4.06Å; F12-Y78 AromaticContact CZ-CD2 3.84Å; F12-Y78 HydrophobicContact CZ-CD2 3.84Å; F12-Y78 HydrophobicContact CZ-CG 4.09Å; T16-Y78 HydrophobicContact CG2-CD1 3.27Å; T16-Y78 HydrophobicContact CG2-CE1 3.64Å; T16-Y78 HydrophobicContact CG2-CG 3.87Å; C74-Y78 WeakPolarHBondContact O-CB 3.46Å; C74-Y78 PolarHBondContact O-N 3.36Å; R75-Y78 PolarHBondContact O-N 3.17Å; H76-Y78 PolarHBondContact O-N 2.9Å; Y78-A80 PolarHBondContact O-N 3.33Å; Y78-V81 PolarHBondContact O-N 2.83Å; Y78-V81 VanDerWaalsContact O-N 3.1Å; Y78-E82 HydrophobicContact CD1-CB 4.16Å; Y78-E82 HydrophobicContact CD1-CG 4.46Å; Y78-E82 HydrophobicContact CE1-CB 3.95Å; Y78-E82 HydrophobicContact CE1-CG 3.75Å; Y78-E82 WeakPolarHBondContact CE1-OE1 3.45Å; Y78-E82 WeakPolarHBondContact O-CA 3.44Å; Y78-E82 WeakPolarHBondContact O-CB 3.26Å; Y78-E82 PolarHBondContact O-N 2.95Å; Y78-E82 PolarHBondContact OH-OE1 3.17Å; Y78-V86 HydrophobicContact CE2-CG2 4.23Å
79G94.2Very high89.1Confident51 Ų5183.2 Ų83.253%0.52642%0.418SS..Hα-helixtrans-59.6-33.1177.500000113.7R75 H76 N77R75-G79 PolarHBondContact O-N 2.64Å; H76-G79 PolarHBondContact O-N 2.78Å; N77-G79 PolarHBondContact O-N 3.35Å
80A93.5Very high88.6Confident57 Ų5786.8 Ų86.847%0.47143%0.433SS..Hα-helixtrans-69.8-32.7176.800000113.5H76 N77 Y78H76-A80 PolarHBondContact O-N 2.7Å; H76-A80 VanDerWaalsContact O-N 3.14Å; N77-A80 WeakPolarHBondContact O-CB 3.49Å; N77-A80 PolarHBondContact O-N 3.03Å; Y78-A80 PolarHBondContact O-N 3.33Å
81V91.4Very high88.1Confident69 Ų6990.5 Ų90.542%0.41845%0.451SS..Hα-helixtrans-110.8-10.3-173-53.40000114.5N77 Y78 S83 F84 T85N77-V81 WeakPolarHBondContact O-CG2 3.32Å; N77-V81 PolarHBondContact O-N 3.38Å; N77-V81 VanDerWaalsContact O-N 3.11Å; Y78-V81 PolarHBondContact O-N 2.83Å; Y78-V81 VanDerWaalsContact O-N 3.1Å; V81-S83 VanDerWaalsContact C-N 3.29Å; V81-S83 PolarHBondContact O-N 3.47Å; V81-F84 PolarHBondContact O-N 3.1Å; V81-T85 HydrophobicContact CB-CG2 4.41Å; V81-T85 PolarHBondContact O-N 2.96Å; V81-T85 PolarHBondContact O-OG1 3.22Å
82E89.9Confident87.6Confident56 Ų5690.5 Ų90.526%0.26245%0.449SS..Hα-helixtrans-57.8-41.4-175.2-178.6177.1-146.700111.9Y78 F84 T85 V86 Q87Y78-E82 HydrophobicContact CD1-CB 4.16Å; Y78-E82 HydrophobicContact CD1-CG 4.46Å; Y78-E82 HydrophobicContact CE1-CB 3.95Å; Y78-E82 HydrophobicContact CE1-CG 3.75Å; Y78-E82 WeakPolarHBondContact CE1-OE1 3.45Å; Y78-E82 WeakPolarHBondContact O-CA 3.44Å; Y78-E82 WeakPolarHBondContact O-CB 3.26Å; Y78-E82 PolarHBondContact O-N 2.95Å; Y78-E82 PolarHBondContact OH-OE1 3.17Å; E82-F84 PolarHBondContact O-N 3.06Å; E82-F84 VanDerWaalsContact O-N 3.14Å; E82-T85 PolarHBondContact O-N 3.4Å; E82-V86 HydrophobicContact CG-CB 3.87Å; E82-V86 HydrophobicContact CG-CG2 4.14Å; E82-V86 PolarHBondContact O-N 3.47Å; E82-Q87 HydrophobicContact CG-CG 4.31Å; E82-Q87 PolarHBondContact O-N 2.64Å; E82-Q87 VanDerWaalsContact O-N 3.11Å
83S85.9Confident86.9Confident49 Ų4990.2 Ų90.234%0.34344%0.441SS..Hα-helixtrans-61.2-22.7178.461.90000113.6V81 R88V81-S83 VanDerWaalsContact C-N 3.29Å; V81-S83 PolarHBondContact O-N 3.47Å; S83-R88 WeakPolarHBondContact O-CG 3.47Å
84F81.9Confident86.3Confident121 Ų12188.8 Ų88.853%0.53144%0.441SS..Hα-helixtrans-100.1-28.6178.9-60.6-81.2000113.4V81 E82 R88V81-F84 PolarHBondContact O-N 3.1Å; E82-F84 PolarHBondContact O-N 3.06Å; E82-F84 VanDerWaalsContact O-N 3.14Å; F84-R88 VanDerWaalsContact CD1-NH2 3.32Å; F84-R88 WeakPolarHBondContact O-CD 3.22Å
85T82.3Confident85.5Confident85 Ų8594.7 Ų94.752%0.52147%0.47SS..Hα-helixtrans-109.9-29.8-167.655.20000114.1V81 E82V81-T85 HydrophobicContact CB-CG2 4.41Å; V81-T85 PolarHBondContact O-N 2.96Å; V81-T85 PolarHBondContact O-OG1 3.22Å; E82-T85 PolarHBondContact O-N 3.4Å
86V81.6Confident84.7Confident60 Ų6096.4 Ų96.436%0.36449%0.485SS..THydrogen-bonded Turntrans-111.3-50.2-175.3-176.90000110.9Y78 E82 R88 R89Y78-V86 HydrophobicContact CE2-CG2 4.23Å; E82-V86 HydrophobicContact CG-CB 3.87Å; E82-V86 HydrophobicContact CG-CG2 4.14Å; E82-V86 PolarHBondContact O-N 3.47Å; V86-R88 PolarHBondContact O-N 3.48Å; V86-R89 PolarHBondContact O-N 3.36Å
87Q74.4Confident83.7Confident129 Ų12994.3 Ų94.360%0.60348%0.478SS*.THydrogen-bonded Turntrans-71.5-11.2-176.9-66.2179.2-11.900114.1E82 R89E82-Q87 HydrophobicContact CG-CG 4.31Å; E82-Q87 PolarHBondContact O-N 2.64Å; E82-Q87 VanDerWaalsContact O-N 3.11Å; Q87-R89 VanDerWaalsContact C-N 3.33Å
88R66Low82.7Confident179 Ų17997.1 Ų97.168%0.67549%0.49SS*.THydrogen-bonded Turntrans-89.36.4176.3-67-169.2178.7-171.3-7.5114S83 F84 V86S83-R88 WeakPolarHBondContact O-CG 3.47Å; F84-R88 VanDerWaalsContact CD1-NH2 3.32Å; F84-R88 WeakPolarHBondContact O-CD 3.22Å; V86-R88 PolarHBondContact O-N 3.48Å
89R56.8Low81.6Confident281 Ų281103.4 Ų103.4100%1.0653%0.525SS*.  trans-81.30167.8-75.1-175.7173.4-170.7-1.5110.3V86 Q87V86-R89 PolarHBondContact O-N 3.36Å; Q87-R89 VanDerWaalsContact C-N 3.33Å

Retrieved 89 of 89 residues in 19.3 ms (Link to these results)

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