A0A075QB04_HUMAN Loading...

MHC class II antigen

AlphaFold DB , UniProt , Accession A0A075QB04, 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
1R84.2Confident95.7Very high285 Ų285103.6 Ų103.6100%1.07545%0.454SS*.  0130.10178.3177.7178.9-178.40.5107.3
2F92.3Very high95.6Very high122 Ų122100.7 Ų100.754%0.53544%0.441SS..  trans-80.3140.7176.4164.5-114.4000110.8W4 Y27 N28F2-W4 HydrophobicContact CE1-CB 4.32Å; F2-W4 HydrophobicContact CE2-CB 4.05Å; F2-W4 HydrophobicContact CZ-CB 3.59Å; F2-W4 HydrophobicContact CZ-CG 4.49Å; F2-Y27 HydrophobicContact CD2-CD2 4.3Å; F2-Y27 HydrophobicContact CD2-CE1 4.36Å; F2-Y27 AromaticContact CD2-CE2 3.64Å; F2-Y27 HydrophobicContact CD2-CE2 3.64Å; F2-Y27 AromaticContact CD2-CZ 3.62Å; F2-Y27 AromaticContact CE2-CD2 3.53Å; F2-Y27 HydrophobicContact CE2-CD2 3.53Å; F2-Y27 HydrophobicContact CE2-CE1 4.49Å; F2-Y27 AromaticContact CE2-CE2 3.08Å; F2-Y27 HydrophobicContact CE2-CE2 3.08Å; F2-Y27 HydrophobicContact CE2-CG 4.4Å; F2-Y27 AromaticContact CE2-CZ 3.6Å; F2-Y27 HydrophobicContact CZ-CD2 4.45Å; F2-Y27 HydrophobicContact CZ-CE2 4.02Å; F2-N28 WeakPolarHBondContact CA-OD1 3.36Å
3L96.3Very high95.5Very high77 Ų77100.3 Ų100.340%0.40344%0.439SS..  trans-142123.9175.5179.659.8000110.1Q5 N28L3-Q5 HydrophobicContact CD1-CG 3.86Å; L3-Q5 HydrophobicContact CD2-CG 4.28Å; L3-Q5 HydrophobicContact CG-CG 3.88Å; L3-N28 PolarHBondContact N-OD1 3.22Å; L3-N28 PolarHBondContact O-N 3.3Å
4W95.9Very high95.2Very high125 Ų125103.1 Ų103.147%0.47346%0.461SS..EExtended strand (participates in β ladder)trans-115.5129.5171.1-175.591.7000109.3F2 P6 Y25 F26F2-W4 HydrophobicContact CE1-CB 4.32Å; F2-W4 HydrophobicContact CE2-CB 4.05Å; F2-W4 HydrophobicContact CZ-CB 3.59Å; F2-W4 HydrophobicContact CZ-CG 4.49Å; W4-P6 HydrophobicContact CE3-CG 4.46Å; W4-P6 HydrophobicContact CH2-CB 4.16Å; W4-P6 HydrophobicContact CH2-CG 4.15Å; W4-P6 HydrophobicContact CZ3-CB 4.21Å; W4-P6 HydrophobicContact CZ3-CG 3.72Å; W4-Y25 AromaticContact CH2-CD1 3.79Å; W4-Y25 HydrophobicContact CH2-CD1 3.79Å; W4-Y25 AromaticContact CH2-CE1 3.81Å; W4-Y25 HydrophobicContact CH2-CE1 3.81Å; W4-Y25 AromaticContact CZ2-CD1 3.31Å; W4-Y25 HydrophobicContact CZ2-CD1 3.31Å; W4-Y25 AromaticContact CZ2-CE1 3.72Å; W4-Y25 HydrophobicContact CZ2-CE1 3.72Å; W4-Y25 HydrophobicContact CZ2-CG 4.47Å; W4-F26 WeakPolarHBondContact CA-O 3.29Å
5Q97.8Very high94.7Very high70 Ų7098.3 Ų98.333%0.32745%0.452SS..EExtended strand (participates in β ladder)trans-136.9121.6-174.6-73.2171.698.800111.1L3 F26L3-Q5 HydrophobicContact CD1-CG 3.86Å; L3-Q5 HydrophobicContact CD2-CG 4.28Å; L3-Q5 HydrophobicContact CG-CG 3.88Å; Q5-F26 HydrophobicContact CB-CB 4.32Å; Q5-F26 PolarHBondContact N-O 2.98Å; Q5-F26 WeakPolarHBondContact O-CD2 3.42Å; Q5-F26 PolarHBondContact O-N 3.33Å
6P97.1Very high94.6Very high61 Ų6196 Ų9640%0.39645%0.447SS..EExtended strand (participates in β ladder)trans-88.1142.7165.533.9-29.8000110.5W4 R24 Y25W4-P6 HydrophobicContact CE3-CG 4.46Å; W4-P6 HydrophobicContact CH2-CB 4.16Å; W4-P6 HydrophobicContact CH2-CG 4.15Å; W4-P6 HydrophobicContact CZ3-CB 4.21Å; W4-P6 HydrophobicContact CZ3-CG 3.72Å; P6-R24 CarbonylContact C-O 3.46Å; P6-R24 WeakPolarHBondContact CA-O 3.29Å; P6-Y25 HydrophobicContact CB-CD1 4.05Å; P6-Y25 HydrophobicContact CB-CE1 3.96Å
7K97.9Very high94.5Very high98 Ų9899.1 Ų99.143%0.42646%0.461SS..EExtended strand (participates in β ladder)trans-129.9117.2171.4-66.8-167.3177.8-176.60109.9E9 R24 F26K7-E9 HydrophobicContact CB-CG 4.46Å; K7-R24 HydrophobicContact CB-CB 4.4Å; K7-R24 PolarHBondContact N-O 2.94Å; K7-R24 PolarHBondContact O-N 2.99Å; K7-F26 HydrophobicContact CB-CE2 4.08Å; K7-F26 HydrophobicContact CD-CD2 4.4Å; K7-F26 HydrophobicContact CD-CE2 3.7Å; K7-F26 HydrophobicContact CD-CZ 4.23Å; K7-F26 HydrophobicContact CG-CD2 4.23Å; K7-F26 HydrophobicContact CG-CE2 3.83Å
8R97.7Very high94.6Very high147 Ų147101.4 Ų101.456%0.55547%0.465SS*.EExtended strand (participates in β ladder)trans-103112.8172.5-75.1172.6-86.5146.2-6.2108.4F21 L22 D23 Y73R8-F21 HydrophobicContact CB-CE2 4.09Å; R8-F21 HydrophobicContact CB-CZ 4.47Å; R8-F21 HydrophobicContact CG-CE2 4.24Å; R8-F21 HydrophobicContact CG-CZ 4.11Å; R8-L22 CarbonylContact C-O 3.6Å; R8-L22 WeakPolarHBondContact CA-O 3.1Å; R8-D23 HydrophobicContact CG-CB 4.43Å; R8-D23 WeakPolarHBondContact CG-OD1 3.45Å; R8-Y73 HydrophobicContact CB-CE1 4.48Å
9E98.3Very high94.8Very high48 Ų4896.5 Ų96.522%0.22444%0.444CS..EExtended strand (participates in β ladder)trans-118.2139-174.1-51.9175.4-149.700110K7 H11 F21 L22 R24K7-E9 HydrophobicContact CB-CG 4.46Å; E9-H11 IonicContact OE2-CE1 2.86Å; E9-H11 IonicContact OE2-NE2 3.98Å; E9-H11 PolarHBondContact OE2-NE2 3.35Å; E9-F21 WeakPolarHBondContact O-CA 3.43Å; E9-F21 WeakPolarHBondContact O-CD2 3.42Å; E9-L22 HydrophobicContact CB-CB 4.24Å; E9-L22 PolarHBondContact N-O 3.21Å; E9-L22 PolarHBondContact O-N 3.01Å; E9-R24 WeakPolarHBondContact OE1-CD 3.35Å; E9-R24 IonicContact OE1-CZ 3.75Å; E9-R24 IonicContact OE1-NH1 2.63Å; E9-R24 PolarHBondContact OE1-NH1 3.43Å
10C97.9Very high95Very high37 Ų3795.4 Ų95.425%0.2544%0.435CS..EExtended strand (participates in β ladder)trans-119.8115.6173.8-63.70000108.6F12 C74C10-F12 HydrophobicContact CB-CD2 4.29Å; C10-F12 HydrophobicContact CB-CE2 3.41Å; C10-F12 VanDerWaalsContact CB-CE2 3.41Å; C10-F12 HydrophobicContact CB-CZ 3.66Å; C10-F12 WeakPolarHBondContact O-CD2 3.33Å; C10-C74 HydrophobicContact CB-CB 3.63Å; C10-C74 WeakPolarHBondContact CB-SG 3.48Å; C10-C74 WeakPolarHBondContact SG-CA 3.44Å; C10-C74 WeakPolarHBondContact SG-CB 3.39Å; C10-C74 CovalentContact SG-SG 2.03Å; C10-C74 PolarHBondContact SG-SG 2.66Å
11H97.1Very high95.2Very high70 Ų7091.2 Ų91.232%0.32442%0.416SS..EExtended strand (participates in β ladder)trans-103.9114.9-179.7-68.3-116.3000108.7E9 F13 V19 R20E9-H11 IonicContact OE2-CE1 2.86Å; E9-H11 IonicContact OE2-NE2 3.98Å; E9-H11 PolarHBondContact OE2-NE2 3.35Å; H11-F13 HydrophobicContact CB-CE2 3.99Å; H11-F13 HydrophobicContact CB-CZ 4.17Å; H11-V19 WeakPolarHBondContact O-CA 3.15Å; H11-R20 HydrophobicContact CB-CB 4.29Å; H11-R20 PolarHBondContact N-O 2.88Å; H11-R20 PolarHBondContact O-N 3.13Å
12F95.1Very high95.8Very high68 Ų6878.2 Ų78.230%0.29837%0.368SS..EExtended strand (participates in β ladder)trans-104.6127.7-175.2-64.1-85.1000110.2C10 G15 T16 V19 C74 Y78C10-F12 HydrophobicContact CB-CD2 4.29Å; C10-F12 HydrophobicContact CB-CE2 3.41Å; C10-F12 VanDerWaalsContact CB-CE2 3.41Å; C10-F12 HydrophobicContact CB-CZ 3.66Å; C10-F12 WeakPolarHBondContact O-CD2 3.33Å; F12-G15 WeakPolarHBondContact CB-O 3.41Å; F12-T16 HydrophobicContact CD1-CG2 4.42Å; F12-V19 HydrophobicContact CD1-CB 4.45Å; F12-V19 HydrophobicContact CD1-CG1 4.02Å; F12-V19 HydrophobicContact CD1-CG2 3.69Å; F12-V19 HydrophobicContact CE1-CG1 3.78Å; F12-V19 HydrophobicContact CE1-CG2 3.93Å; F12-V19 HydrophobicContact CZ-CG1 4.38Å; F12-C74 HydrophobicContact CE1-CB 4.26Å; F12-C74 HydrophobicContact CZ-CB 3.94Å; F12-C74 WeakPolarHBondContact CZ-O 3.22Å; F12-Y78 AromaticContact CD1-CD2 3.7Å; F12-Y78 HydrophobicContact CD1-CD2 3.7Å; F12-Y78 HydrophobicContact CD1-CE2 4.3Å; F12-Y78 HydrophobicContact CD1-CG 4.13Å; F12-Y78 HydrophobicContact CD2-CD2 4Å; F12-Y78 AromaticContact CE1-CD2 3.72Å; F12-Y78 HydrophobicContact CE1-CD2 3.72Å; F12-Y78 AromaticContact CE1-CG 3.83Å; F12-Y78 HydrophobicContact CE1-CG 3.83Å; F12-Y78 AromaticContact CE2-CD2 3.99Å; F12-Y78 HydrophobicContact CE2-CD2 3.99Å; F12-Y78 AromaticContact CG-CD2 3.87Å; F12-Y78 HydrophobicContact CG-CD2 3.87Å; F12-Y78 HydrophobicContact CG-CE2 4.23Å; F12-Y78 AromaticContact CZ-CD2 3.87Å; F12-Y78 HydrophobicContact CZ-CD2 3.87Å; F12-Y78 HydrophobicContact CZ-CG 4.15Å
13F94Very high96.1Very high96 Ų9673.1 Ų73.142%0.42135%0.346SS..EExtended strand (participates in β ladder)trans-120.1125.9177.5-54.1-87.2000109.1H11 R18 R20H11-F13 HydrophobicContact CB-CE2 3.99Å; H11-F13 HydrophobicContact CB-CZ 4.17Å; F13-R18 HydrophobicContact CB-CB 4.24Å; F13-R18 HydrophobicContact CD2-CB 4.41Å; F13-R18 HydrophobicContact CD2-CG 4.15Å; F13-R18 PolarHBondContact N-O 2.8Å; F13-R18 PolarHBondContact O-N 2.76Å; F13-R20 HydrophobicContact CE2-CB 4.42Å
14N90.9Very high96.2Very high140 Ų14072 Ų7275%0.74934%0.337SS*.THydrogen-bonded Turntrans50.656-174.9-59.5-22.2000112.3T16 E17N14-T16 PolarHBondContact O-N 3.26Å; N14-E17 HydrophobicContact CB-CB 4.36Å; N14-E17 WeakPolarHBondContact CB-OE2 3.3Å; N14-E17 PolarHBondContact ND2-OE2 3.18Å
15G87.9Confident96.4Very high31 Ų3167.7 Ų67.732%0.3232%0.321SS..THydrogen-bonded Turntrans70.9-125.7-171.800000110.7F12F12-G15 WeakPolarHBondContact CB-O 3.41Å
16T93.4Very high96.4Very high61 Ų6165.3 Ų65.337%0.37431%0.309SS..THydrogen-bonded Turntrans-102.49.9-178.760.10000114.2F12 N14 R75 Y78F12-T16 HydrophobicContact CD1-CG2 4.42Å; N14-T16 PolarHBondContact O-N 3.26Å; T16-R75 HydrophobicContact CG2-CG 4.5Å; T16-R75 PolarHBondContact O-NE 2.93Å; T16-Y78 HydrophobicContact CG2-CD1 3.42Å; T16-Y78 VanDerWaalsContact CG2-CD1 3.42Å; T16-Y78 HydrophobicContact CG2-CE1 3.8Å; T16-Y78 HydrophobicContact CG2-CG 3.92Å
17E92.9Very high96.3Very high148 Ų14866.9 Ų66.969%0.69231%0.308SS*.THydrogen-bonded Turntrans-57.4-52.4179.7-174.6-176-179.200110.6N14N14-E17 HydrophobicContact CB-CB 4.36Å; N14-E17 WeakPolarHBondContact CB-OE2 3.3Å; N14-E17 PolarHBondContact ND2-OE2 3.18Å
18R96.6Very high96.2Very high141 Ų14165.7 Ų65.753%0.53231%0.306SS..EExtended strand (participates in β ladder)trans-122.9128.4169.8-178.6-179.7178.2-173.9-0.8109.9F13 D38F13-R18 HydrophobicContact CB-CB 4.24Å; F13-R18 HydrophobicContact CD2-CB 4.41Å; F13-R18 HydrophobicContact CD2-CG 4.15Å; F13-R18 PolarHBondContact N-O 2.8Å; F13-R18 PolarHBondContact O-N 2.76Å; R18-D38 IonicContact CZ-OD2 2.89Å; R18-D38 IonicContact NH2-OD2 3.04Å; R18-D38 PolarHBondContact NH2-OD2 2.03Å
19V97.9Very high96Very high9 Ų966.5 Ų66.56%0.05532%0.316CS..EExtended strand (participates in β ladder)trans-128.8129.6179.1-175.80000108.2H11 F12 V70 C74 R75H11-V19 WeakPolarHBondContact O-CA 3.15Å; F12-V19 HydrophobicContact CD1-CB 4.45Å; F12-V19 HydrophobicContact CD1-CG1 4.02Å; F12-V19 HydrophobicContact CD1-CG2 3.69Å; F12-V19 HydrophobicContact CE1-CG1 3.78Å; F12-V19 HydrophobicContact CE1-CG2 3.93Å; F12-V19 HydrophobicContact CZ-CG1 4.38Å; V19-V70 HydrophobicContact CB-CG1 3.75Å; V19-V70 HydrophobicContact CG1-CG1 3.89Å; V19-V70 WeakPolarHBondContact O-CG1 3.5Å; V19-C74 HydrophobicContact CG1-CB 3.58Å; V19-R75 HydrophobicContact CG2-CG 3.95Å
20R98.4Very high96Very high74 Ų7470.1 Ų70.128%0.27933%0.333SS..EExtended strand (participates in β ladder)trans-115.6127.2174.4179.3178.6176.6-160.62.4109.6H11 F13 L22 D36 S37H11-R20 HydrophobicContact CB-CB 4.29Å; H11-R20 PolarHBondContact N-O 2.88Å; H11-R20 PolarHBondContact O-N 3.13Å; F13-R20 HydrophobicContact CE2-CB 4.42Å; R20-L22 HydrophobicContact CG-CD2 4.44Å; R20-D36 IonicContact CZ-OD1 2.95Å; R20-D36 IonicContact CZ-OD2 2.89Å; R20-D36 VanDerWaalsContact CZ-OD2 3.27Å; R20-D36 IonicContact NE-OD1 2.71Å; R20-D36 PolarHBondContact NE-OD1 3.32Å; R20-D36 IonicContact NE-OD2 3.48Å; R20-D36 PolarHBondContact NE-OD2 3.12Å; R20-D36 IonicContact NH2-OD1 3.85Å; R20-D36 IonicContact NH2-OD2 3.74Å; R20-D36 PolarHBondContact NH2-OD2 3.11Å; R20-S37 WeakPolarHBondContact CA-OG 3.39Å
21F98.7Very high96Very high8 Ų869.5 Ų69.54%0.03533%0.327CS..EExtended strand (participates in β ladder)trans-102.1130.9175.4175.3-111.5000109.8R8 E9 D23 F35 S37 A69 V70 Y73 C74R8-F21 HydrophobicContact CB-CE2 4.09Å; R8-F21 HydrophobicContact CB-CZ 4.47Å; R8-F21 HydrophobicContact CG-CE2 4.24Å; R8-F21 HydrophobicContact CG-CZ 4.11Å; E9-F21 WeakPolarHBondContact O-CA 3.43Å; E9-F21 WeakPolarHBondContact O-CD2 3.42Å; F21-D23 HydrophobicContact CE1-CB 3.84Å; F21-D23 HydrophobicContact CZ-CB 3.87Å; F21-F35 AromaticContact CD1-CD1 3.95Å; F21-F35 HydrophobicContact CD1-CD1 3.95Å; F21-F35 HydrophobicContact CD1-CE1 4.1Å; F21-F35 HydrophobicContact CE1-CD1 4.21Å; F21-S37 PolarHBondContact N-OG 3.36Å; F21-S37 PolarHBondContact O-N 2.91Å; F21-S37 PolarHBondContact O-OG 3.34Å; F21-A69 HydrophobicContact CD1-CB 3.55Å; F21-A69 HydrophobicContact CD2-CB 4.27Å; F21-A69 HydrophobicContact CE1-CB 3.48Å; F21-A69 VanDerWaalsContact CE1-CB 3.48Å; F21-A69 HydrophobicContact CE2-CB 4.21Å; F21-A69 HydrophobicContact CG-CB 3.95Å; F21-A69 HydrophobicContact CZ-CB 3.82Å; F21-V70 HydrophobicContact CB-CG2 3.93Å; F21-Y73 HydrophobicContact CD2-CD1 4.47Å; F21-Y73 HydrophobicContact CE2-CD1 4.08Å; F21-Y73 HydrophobicContact CE2-CE1 4.47Å; F21-C74 VanDerWaalsContact CD2-SG 3.56Å
22L98.6Very high96.1Very high12 Ų1266.3 Ų66.36%0.06331%0.312CS..EExtended strand (participates in β ladder)trans-119.7130.3171.9-60.1175.4000109R8 E9 R20 R24 F35 D36R8-L22 CarbonylContact C-O 3.6Å; R8-L22 WeakPolarHBondContact CA-O 3.1Å; E9-L22 HydrophobicContact CB-CB 4.24Å; E9-L22 PolarHBondContact N-O 3.21Å; E9-L22 PolarHBondContact O-N 3.01Å; R20-L22 HydrophobicContact CG-CD2 4.44Å; L22-R24 HydrophobicContact CB-CG 4.12Å; L22-F35 WeakPolarHBondContact CA-O 3.48Å; L22-D36 HydrophobicContact CD2-CB 3.85Å; L22-D36 VanDerWaalsContact CD2-CG 3.5Å
23D98.5Very high96.2Very high15 Ų1563.1 Ų63.18%0.0830%0.298CS..EExtended strand (participates in β ladder)trans-118.2109.8167.4-168.420000109R8 F21 Y25 R34 F35R8-D23 HydrophobicContact CG-CB 4.43Å; R8-D23 WeakPolarHBondContact CG-OD1 3.45Å; F21-D23 HydrophobicContact CE1-CB 3.84Å; F21-D23 HydrophobicContact CZ-CB 3.87Å; D23-Y25 HydrophobicContact CB-CE2 4.42Å; D23-Y25 WeakPolarHBondContact OD2-CE2 3.33Å; D23-Y25 PolarHBondContact OD2-OH 2.91Å; D23-R34 CarbonylContact O-C 3.48Å; D23-R34 VanDerWaalsContact O-CA 3.28Å; D23-R34 WeakPolarHBondContact O-CA 3.41Å; D23-F35 HydrophobicContact CB-CB 4.13Å; D23-F35 PolarHBondContact N-O 3.25Å; D23-F35 PolarHBondContact O-N 3.3Å
24R98.6Very high96.4Very high52 Ų5262 Ų6220%0.19629%0.291CS..EExtended strand (participates in β ladder)trans-122.8134.4-165.8-59.1171.967.8-164.95.5110.4P6 K7 E9 L22 F26 E31 R34P6-R24 CarbonylContact C-O 3.46Å; P6-R24 WeakPolarHBondContact CA-O 3.29Å; K7-R24 HydrophobicContact CB-CB 4.4Å; K7-R24 PolarHBondContact N-O 2.94Å; K7-R24 PolarHBondContact O-N 2.99Å; E9-R24 WeakPolarHBondContact OE1-CD 3.35Å; E9-R24 IonicContact OE1-CZ 3.75Å; E9-R24 IonicContact OE1-NH1 2.63Å; E9-R24 PolarHBondContact OE1-NH1 3.43Å; L22-R24 HydrophobicContact CB-CG 4.12Å; R24-F26 HydrophobicContact CB-CD2 4.49Å; R24-F26 HydrophobicContact CB-CE2 3.65Å; R24-F26 HydrophobicContact CB-CZ 4.2Å; R24-E31 WeakPolarHBondContact CG-OE1 3.16Å; R24-E31 IonicContact CZ-OE1 3.8Å; R24-E31 IonicContact CZ-OE2 2.72Å; R24-E31 VanDerWaalsContact NE-CD 3.33Å; R24-E31 IonicContact NE-OE1 2.89Å; R24-E31 PolarHBondContact NE-OE1 3.03Å; R24-E31 IonicContact NE-OE2 3.39Å; R24-E31 PolarHBondContact NE-OE2 3.38Å; R24-E31 IonicContact NH2-OE1 3.74Å; R24-E31 IonicContact NH2-OE2 3.61Å; R24-E31 PolarHBondContact NH2-OE2 2.8Å; R24-R34 HydrophobicContact CG-CB 4.36Å; R24-R34 HydrophobicContact CG-CG 3.92Å
25Y98.2Very high96.8Very high35 Ų3555.3 Ų55.314%0.13726%0.256CS..EExtended strand (participates in β ladder)trans-118.8130.1-177.2-62.2-93.1000110.1W4 P6 D23 E31 S32 V33 F42 W56W4-Y25 AromaticContact CH2-CD1 3.79Å; W4-Y25 HydrophobicContact CH2-CD1 3.79Å; W4-Y25 AromaticContact CH2-CE1 3.81Å; W4-Y25 HydrophobicContact CH2-CE1 3.81Å; W4-Y25 AromaticContact CZ2-CD1 3.31Å; W4-Y25 HydrophobicContact CZ2-CD1 3.31Å; W4-Y25 AromaticContact CZ2-CE1 3.72Å; W4-Y25 HydrophobicContact CZ2-CE1 3.72Å; W4-Y25 HydrophobicContact CZ2-CG 4.47Å; P6-Y25 HydrophobicContact CB-CD1 4.05Å; P6-Y25 HydrophobicContact CB-CE1 3.96Å; D23-Y25 HydrophobicContact CB-CE2 4.42Å; D23-Y25 WeakPolarHBondContact OD2-CE2 3.33Å; D23-Y25 PolarHBondContact OD2-OH 2.91Å; Y25-E31 CarbonylContact O-C 3.58Å; Y25-E31 WeakPolarHBondContact O-CA 3.4Å; Y25-S32 PolarHBondContact O-N 3.2Å; Y25-S32 PolarHBondContact O-OG 2.63Å; Y25-V33 HydrophobicContact CD2-CG1 3.83Å; Y25-V33 HydrophobicContact CG-CG1 3.95Å; Y25-V33 PolarHBondContact N-O 3.36Å; Y25-F42 HydrophobicContact CE2-CE1 4.17Å; Y25-W56 HydrophobicContact CD1-CH2 4.06Å; Y25-W56 AromaticContact CD2-CH2 3.75Å; Y25-W56 HydrophobicContact CD2-CH2 3.75Å; Y25-W56 AromaticContact CD2-CZ3 3.68Å; Y25-W56 HydrophobicContact CD2-CZ3 3.68Å; Y25-W56 AromaticContact CE1-CH2 3.97Å; Y25-W56 HydrophobicContact CE1-CH2 3.97Å; Y25-W56 AromaticContact CE2-CH2 3.72Å; Y25-W56 HydrophobicContact CE2-CH2 3.72Å; Y25-W56 AromaticContact CE2-CZ3 3.62Å; Y25-W56 HydrophobicContact CE2-CZ3 3.62Å; Y25-W56 AromaticContact CG-CH2 3.93Å; Y25-W56 HydrophobicContact CG-CH2 3.93Å; Y25-W56 HydrophobicContact CG-CZ3 4.28Å; Y25-W56 AromaticContact CZ-CH2 3.81Å
26F98.2Very high97.3Very high20 Ų2054.2 Ų54.29%0.08824%0.243CC..EExtended strand (participates in β ladder)trans-119.5131.5-175.1-61.9-99.7000111.3W4 Q5 K7 R24 E30 E31W4-F26 WeakPolarHBondContact CA-O 3.29Å; Q5-F26 HydrophobicContact CB-CB 4.32Å; Q5-F26 PolarHBondContact N-O 2.98Å; Q5-F26 WeakPolarHBondContact O-CD2 3.42Å; Q5-F26 PolarHBondContact O-N 3.33Å; K7-F26 HydrophobicContact CB-CE2 4.08Å; K7-F26 HydrophobicContact CD-CD2 4.4Å; K7-F26 HydrophobicContact CD-CE2 3.7Å; K7-F26 HydrophobicContact CD-CZ 4.23Å; K7-F26 HydrophobicContact CG-CD2 4.23Å; K7-F26 HydrophobicContact CG-CE2 3.83Å; R24-F26 HydrophobicContact CB-CD2 4.49Å; R24-F26 HydrophobicContact CB-CE2 3.65Å; R24-F26 HydrophobicContact CB-CZ 4.2Å; F26-E30 CarbonylContact C-O 3.52Å; F26-E30 WeakPolarHBondContact CA-O 3.01Å; F26-E31 HydrophobicContact CD1-CB 3.84Å; F26-E31 HydrophobicContact CE1-CB 3.67Å; F26-E31 HydrophobicContact CE1-CG 4.19Å; F26-E31 HydrophobicContact CZ-CB 4.32Å; F26-E31 HydrophobicContact CZ-CG 4.34Å
27Y95.9Very high97.6Very high95 Ų9552.6 Ų52.637%0.37323%0.234SC..EExtended strand (participates in β ladder)trans-109.4114170.1-168.6-84.9000108.8F2 Q29 E30 L48F2-Y27 HydrophobicContact CD2-CD2 4.3Å; F2-Y27 HydrophobicContact CD2-CE1 4.36Å; F2-Y27 AromaticContact CD2-CE2 3.64Å; F2-Y27 HydrophobicContact CD2-CE2 3.64Å; F2-Y27 AromaticContact CD2-CZ 3.62Å; F2-Y27 AromaticContact CE2-CD2 3.53Å; F2-Y27 HydrophobicContact CE2-CD2 3.53Å; F2-Y27 HydrophobicContact CE2-CE1 4.49Å; F2-Y27 AromaticContact CE2-CE2 3.08Å; F2-Y27 HydrophobicContact CE2-CE2 3.08Å; F2-Y27 HydrophobicContact CE2-CG 4.4Å; F2-Y27 AromaticContact CE2-CZ 3.6Å; F2-Y27 HydrophobicContact CZ-CD2 4.45Å; F2-Y27 HydrophobicContact CZ-CE2 4.02Å; Y27-Q29 VanDerWaalsContact C-N 3.29Å; Y27-Q29 PolarHBondContact O-N 3.04Å; Y27-E30 PolarHBondContact N-O 3.46Å; Y27-E30 WeakPolarHBondContact O-CB 3.31Å; Y27-E30 PolarHBondContact O-N 3.07Å; Y27-L48 HydrophobicContact CD1-CD2 3.91Å; Y27-L48 HydrophobicContact CD2-CD2 3.96Å; Y27-L48 HydrophobicContact CE1-CD2 4.45Å; Y27-L48 HydrophobicContact CE2-CD2 4.46Å; Y27-L48 HydrophobicContact CG-CD2 3.67Å
28N94.9Very high97.8Very high72 Ų7249.5 Ų49.539%0.38522%0.222SC..THydrogen-bonded Turntrans49.744.6-178.7-63.7-31.1000114.4F2 L3 E30F2-N28 WeakPolarHBondContact CA-OD1 3.36Å; L3-N28 PolarHBondContact N-OD1 3.22Å; L3-N28 PolarHBondContact O-N 3.3Å; N28-E30 PolarHBondContact O-N 2.95Å
29Q94.4Very high97.9Very high164 Ų16446.6 Ų46.677%0.76621%0.214SC*.THydrogen-bonded Turntrans76.1-5.9-178.6-47.7172.741.800115.3Y27Y27-Q29 VanDerWaalsContact C-N 3.29Å; Y27-Q29 PolarHBondContact O-N 3.04Å
30E97.3Very high97.9Very high124 Ų12446.8 Ų46.858%0.57922%0.218SC*.EExtended strand (participates in β ladder)trans-91.9129.7172.5-171.2174.4-173.100109.8F26 Y27 N28 S32 T46F26-E30 CarbonylContact C-O 3.52Å; F26-E30 WeakPolarHBondContact CA-O 3.01Å; Y27-E30 PolarHBondContact N-O 3.46Å; Y27-E30 WeakPolarHBondContact O-CB 3.31Å; Y27-E30 PolarHBondContact O-N 3.07Å; N28-E30 PolarHBondContact O-N 2.95Å; E30-S32 PolarHBondContact O-N 3.43Å; E30-T46 HydrophobicContact CG-CG2 3.95Å; E30-T46 WeakPolarHBondContact OE1-CG2 3.19Å
31E98.3Very high97.9Very high24 Ų2446.5 Ų46.511%0.11222%0.22CC..EExtended strand (participates in β ladder)trans-72.8121.9176.2-172.8173.5-16900109.3R24 Y25 F26 R34 V45 T46R24-E31 WeakPolarHBondContact CG-OE1 3.16Å; R24-E31 IonicContact CZ-OE1 3.8Å; R24-E31 IonicContact CZ-OE2 2.72Å; R24-E31 VanDerWaalsContact NE-CD 3.33Å; R24-E31 IonicContact NE-OE1 2.89Å; R24-E31 PolarHBondContact NE-OE1 3.03Å; R24-E31 IonicContact NE-OE2 3.39Å; R24-E31 PolarHBondContact NE-OE2 3.38Å; R24-E31 IonicContact NH2-OE1 3.74Å; R24-E31 IonicContact NH2-OE2 3.61Å; R24-E31 PolarHBondContact NH2-OE2 2.8Å; Y25-E31 CarbonylContact O-C 3.58Å; Y25-E31 WeakPolarHBondContact O-CA 3.4Å; F26-E31 HydrophobicContact CD1-CB 3.84Å; F26-E31 HydrophobicContact CE1-CB 3.67Å; F26-E31 HydrophobicContact CE1-CG 4.19Å; F26-E31 HydrophobicContact CZ-CB 4.32Å; F26-E31 HydrophobicContact CZ-CG 4.34Å; E31-R34 WeakPolarHBondContact OE1-CB 3.37Å; E31-R34 WeakPolarHBondContact OE1-CD 3.48Å; E31-R34 IonicContact OE1-CZ 3.67Å; E31-R34 IonicContact OE1-NE 2.98Å; E31-R34 IonicContact OE1-NH1 3.94Å; E31-R34 IonicContact OE2-NH1 3.96Å; E31-V45 HydrophobicContact CB-CG1 4.28Å; E31-V45 HydrophobicContact CG-CB 4.27Å; E31-V45 HydrophobicContact CG-CG1 4.4Å; E31-V45 HydrophobicContact CG-CG2 3.95Å; E31-V45 WeakPolarHBondContact O-CB 3.44Å; E31-V45 WeakPolarHBondContact O-CG1 3.47Å; E31-T46 WeakPolarHBondContact O-CG2 3.26Å
32S98.2Very high97.9Very high4 Ų446.5 Ų46.53%0.02822%0.219CC..EExtended strand (participates in β ladder)trans-98.9-40.1-178.157.70000112.7Y25 E30 V45 T46 G49Y25-S32 PolarHBondContact O-N 3.2Å; Y25-S32 PolarHBondContact O-OG 2.63Å; E30-S32 PolarHBondContact O-N 3.43Å; S32-V45 PolarHBondContact O-N 2.94Å; S32-T46 WeakPolarHBondContact CA-OG1 3.44Å; S32-T46 PolarHBondContact O-N 3.18Å; S32-G49 WeakPolarHBondContact O-CA 3.39Å
33V98.6Very high97.9Very high0 Ų051.3 Ų51.30%024%0.237CC..EExtended strand (participates in β ladder)trans-148.1146.8-177.457.40000110.4Y25 F42 R43 D52 A53 W56Y25-V33 HydrophobicContact CD2-CG1 3.83Å; Y25-V33 HydrophobicContact CG-CG1 3.95Å; Y25-V33 PolarHBondContact N-O 3.36Å; V33-F42 HydrophobicContact CG2-CB 4.25Å; V33-F42 HydrophobicContact CG2-CD1 4.29Å; V33-R43 WeakPolarHBondContact CA-O 3.38Å; V33-D52 HydrophobicContact CG1-CB 4.27Å; V33-A53 HydrophobicContact CG2-CB 3.95Å; V33-W56 HydrophobicContact CB-CZ3 4.26Å; V33-W56 HydrophobicContact CG1-CE3 4.45Å; V33-W56 HydrophobicContact CG1-CH2 3.81Å; V33-W56 HydrophobicContact CG1-CZ3 3.43Å; V33-W56 VanDerWaalsContact CG1-CZ3 3.43Å; V33-W56 HydrophobicContact CG2-CE3 4.06Å; V33-W56 HydrophobicContact CG2-CZ3 3.75Å
34R98.6Very high97.9Very high73 Ų7352.7 Ų52.728%0.27525%0.25SS..EExtended strand (participates in β ladder)trans-142.9136.8-178.8170.4173.457.7-152.6-2.9111.6D23 R24 E31 F42 R43 V45D23-R34 CarbonylContact O-C 3.48Å; D23-R34 VanDerWaalsContact O-CA 3.28Å; D23-R34 WeakPolarHBondContact O-CA 3.41Å; R24-R34 HydrophobicContact CG-CB 4.36Å; R24-R34 HydrophobicContact CG-CG 3.92Å; E31-R34 WeakPolarHBondContact OE1-CB 3.37Å; E31-R34 WeakPolarHBondContact OE1-CD 3.48Å; E31-R34 IonicContact OE1-CZ 3.67Å; E31-R34 IonicContact OE1-NE 2.98Å; E31-R34 IonicContact OE1-NH1 3.94Å; E31-R34 IonicContact OE2-NH1 3.96Å; R34-F42 CarbonylContact O-C 3.57Å; R34-F42 WeakPolarHBondContact O-CA 3.46Å; R34-R43 PolarHBondContact N-O 2.75Å; R34-R43 PolarHBondContact O-N 2.93Å; R34-V45 HydrophobicContact CB-CG2 4.19Å
35F98.8Very high97.9Very high0 Ų053.2 Ų53.20%026%0.259CS..EExtended strand (participates in β ladder)trans-94.7136.7155.8-178-91.9000109.7F21 L22 D23 G40 F42 L63 A66 R67F21-F35 AromaticContact CD1-CD1 3.95Å; F21-F35 HydrophobicContact CD1-CD1 3.95Å; F21-F35 HydrophobicContact CD1-CE1 4.1Å; F21-F35 HydrophobicContact CE1-CD1 4.21Å; L22-F35 WeakPolarHBondContact CA-O 3.48Å; D23-F35 HydrophobicContact CB-CB 4.13Å; D23-F35 PolarHBondContact N-O 3.25Å; D23-F35 PolarHBondContact O-N 3.3Å; F35-G40 VanDerWaalsContact CE2-C 3.45Å; F35-F42 HydrophobicContact CB-CD1 3.63Å; F35-F42 HydrophobicContact CB-CD2 4.44Å; F35-F42 HydrophobicContact CB-CE1 3.55Å; F35-F42 HydrophobicContact CB-CE2 4.35Å; F35-F42 HydrophobicContact CB-CG 4.11Å; F35-F42 HydrophobicContact CB-CZ 3.92Å; F35-F42 AromaticContact CD2-CD2 3.91Å; F35-F42 HydrophobicContact CD2-CD2 3.91Å; F35-F42 AromaticContact CD2-CE2 3.88Å; F35-F42 HydrophobicContact CD2-CE2 3.88Å; F35-F42 HydrophobicContact CD2-CG 4.26Å; F35-F42 HydrophobicContact CD2-CZ 4.24Å; F35-F42 HydrophobicContact CG-CE1 4.43Å; F35-F42 HydrophobicContact CG-CE2 4.44Å; F35-F42 HydrophobicContact CG-CZ 4.34Å; F35-L63 HydrophobicContact CD2-CD1 4.46Å; F35-L63 HydrophobicContact CE2-CD1 3.96Å; F35-A66 HydrophobicContact CD1-CB 4Å; F35-A66 HydrophobicContact CD2-CB 3.76Å; F35-A66 HydrophobicContact CE1-CB 3.9Å; F35-A66 WeakPolarHBondContact CE1-O 3.25Å; F35-A66 HydrophobicContact CE2-CB 3.66Å; F35-A66 HydrophobicContact CG-CB 3.93Å; F35-A66 HydrophobicContact CZ-CB 3.74Å; F35-R67 HydrophobicContact CE2-CG 4.24Å; F35-R67 HydrophobicContact CZ-CB 4.46Å; F35-R67 HydrophobicContact CZ-CG 3.84Å
36D98.7Very high97.9Very high8 Ų853 Ų534%0.04326%0.261CS..EExtended strand (participates in β ladder)trans-126124.5171.3-171.8-16.1000109R20 L22 D38 E39 G40R20-D36 IonicContact CZ-OD1 2.95Å; R20-D36 IonicContact CZ-OD2 2.89Å; R20-D36 VanDerWaalsContact CZ-OD2 3.27Å; R20-D36 IonicContact NE-OD1 2.71Å; R20-D36 PolarHBondContact NE-OD1 3.32Å; R20-D36 IonicContact NE-OD2 3.48Å; R20-D36 PolarHBondContact NE-OD2 3.12Å; R20-D36 IonicContact NH2-OD1 3.85Å; R20-D36 IonicContact NH2-OD2 3.74Å; R20-D36 PolarHBondContact NH2-OD2 3.11Å; L22-D36 HydrophobicContact CD2-CB 3.85Å; L22-D36 VanDerWaalsContact CD2-CG 3.5Å; D36-D38 PolarHBondContact O-N 2.83Å; D36-D38 PolarHBondContact OD1-N 3.47Å; D36-E39 HydrophobicContact CB-CB 4.25Å; D36-E39 HydrophobicContact CB-CG 4.12Å; D36-E39 CarbonylContact O-C 3.5Å; D36-E39 PolarHBondContact O-N 2.91Å; D36-G40 PolarHBondContact O-N 2.85Å
37S98.6Very high97.8Very high27 Ų2758.2 Ų58.219%0.18929%0.286CS..THydrogen-bonded Turntrans-61.3-25.918061.90000113.6R20 F21 E39 V70R20-S37 WeakPolarHBondContact CA-OG 3.39Å; F21-S37 PolarHBondContact N-OG 3.36Å; F21-S37 PolarHBondContact O-N 2.91Å; F21-S37 PolarHBondContact O-OG 3.34Å; S37-E39 VanDerWaalsContact C-N 3.28Å; S37-V70 VanDerWaalsContact CB-CG2 3.4Å
38D98.1Very high97.9Very high83 Ų8358.4 Ų58.444%0.44429%0.293SS..THydrogen-bonded Turntrans-72.6-24.4176.2-73.56.2000111.3R18 D36R18-D38 IonicContact CZ-OD2 2.89Å; R18-D38 IonicContact NH2-OD2 3.04Å; R18-D38 PolarHBondContact NH2-OD2 2.03Å; D36-D38 PolarHBondContact O-N 2.83Å; D36-D38 PolarHBondContact OD1-N 3.47Å
39E98.1Very high98Very high80 Ų8055 Ų5537%0.37428%0.275SS..THydrogen-bonded Turntrans-95.3-33.1175.4-61.2-171.914100112.4D36 S37 R43D36-E39 HydrophobicContact CB-CB 4.25Å; D36-E39 HydrophobicContact CB-CG 4.12Å; D36-E39 CarbonylContact O-C 3.5Å; D36-E39 PolarHBondContact O-N 2.91Å; S37-E39 VanDerWaalsContact C-N 3.28Å; E39-R43 IonicContact OE1-CZ 3.65Å; E39-R43 IonicContact OE1-NE 3.89Å; E39-R43 IonicContact OE1-NH1 3.96Å; E39-R43 PolarHBondContact OE1-NH1 3.33Å; E39-R43 VanDerWaalsContact OE2-CD 3.26Å; E39-R43 WeakPolarHBondContact OE2-CD 3.42Å; E39-R43 IonicContact OE2-NE 3.6Å; E39-R43 IonicContact OE2-NH1 2.78Å
40G98.2Very high98.2Very high12 Ų1252.4 Ų52.412%0.12426%0.258CS..THydrogen-bonded Turntrans75.617.5176.800000115F35 D36 L63 R67F35-G40 VanDerWaalsContact CE2-C 3.45Å; D36-G40 PolarHBondContact O-N 2.85Å; G40-L63 WeakPolarHBondContact O-CD1 3.03Å; G40-R67 VanDerWaalsContact O-CZ 3.28Å; G40-R67 PolarHBondContact O-NE 3.37Å; G40-R67 PolarHBondContact O-NH2 3.22Å
41E98.5Very high98.3Very high69 Ų6950.4 Ų50.432%0.32226%0.256SS..EExtended strand (participates in β ladder)trans-149.7161.1177.866.3-176.3-172.700111.9R43 L63E41-R43 HydrophobicContact CG-CG 4.26Å; E41-R43 IonicContact OE1-CZ 3.64Å; E41-R43 IonicContact OE1-NE 3.27Å; E41-R43 PolarHBondContact OE1-NE 3.1Å; E41-R43 IonicContact OE1-NH2 2.74Å; E41-R43 PolarHBondContact OE1-NH2 3.37Å; E41-L63 HydrophobicContact CB-CD1 4.47Å
42F98.7Very high98.2Very high7 Ų752.1 Ų52.13%0.03127%0.266CS..EExtended strand (participates in β ladder)trans-78.9133.1171.2-69.8-92.9000110.1Y25 V33 R34 F35 A53 W56 N57 I62 L63 A66Y25-F42 HydrophobicContact CE2-CE1 4.17Å; V33-F42 HydrophobicContact CG2-CB 4.25Å; V33-F42 HydrophobicContact CG2-CD1 4.29Å; R34-F42 CarbonylContact O-C 3.57Å; R34-F42 WeakPolarHBondContact O-CA 3.46Å; F35-F42 HydrophobicContact CB-CD1 3.63Å; F35-F42 HydrophobicContact CB-CD2 4.44Å; F35-F42 HydrophobicContact CB-CE1 3.55Å; F35-F42 HydrophobicContact CB-CE2 4.35Å; F35-F42 HydrophobicContact CB-CG 4.11Å; F35-F42 HydrophobicContact CB-CZ 3.92Å; F35-F42 AromaticContact CD2-CD2 3.91Å; F35-F42 HydrophobicContact CD2-CD2 3.91Å; F35-F42 AromaticContact CD2-CE2 3.88Å; F35-F42 HydrophobicContact CD2-CE2 3.88Å; F35-F42 HydrophobicContact CD2-CG 4.26Å; F35-F42 HydrophobicContact CD2-CZ 4.24Å; F35-F42 HydrophobicContact CG-CE1 4.43Å; F35-F42 HydrophobicContact CG-CE2 4.44Å; F35-F42 HydrophobicContact CG-CZ 4.34Å; F42-A53 HydrophobicContact CB-CB 4.31Å; F42-W56 HydrophobicContact CB-CE3 4.38Å; F42-W56 HydrophobicContact CD1-CD2 4.34Å; F42-W56 AromaticContact CD1-CE3 3.31Å; F42-W56 HydrophobicContact CD1-CE3 3.31Å; F42-W56 AromaticContact CD1-CZ3 3.78Å; F42-W56 HydrophobicContact CD1-CZ3 3.78Å; F42-W56 HydrophobicContact CD2-CB 3.73Å; F42-W56 HydrophobicContact CD2-CE3 4.46Å; F42-W56 HydrophobicContact CE1-CD2 4.34Å; F42-W56 AromaticContact CE1-CE3 3.53Å; F42-W56 HydrophobicContact CE1-CE3 3.53Å; F42-W56 AromaticContact CE1-CZ3 3.89Å; F42-W56 HydrophobicContact CE1-CZ3 3.89Å; F42-W56 HydrophobicContact CE2-CB 3.99Å; F42-W56 HydrophobicContact CG-CB 4.07Å; F42-W56 AromaticContact CG-CE3 3.81Å; F42-W56 HydrophobicContact CG-CE3 3.81Å; F42-W56 HydrophobicContact CZ-CE3 4.23Å; F42-N57 PolarHBondContact N-OD1 3.37Å; F42-N57 PolarHBondContact O-ND2 2.96Å; F42-I62 HydrophobicContact CE2-CG2 4.12Å; F42-I62 HydrophobicContact CZ-CG2 4.36Å; F42-L63 HydrophobicContact CD2-CD1 4.36Å; F42-A66 HydrophobicContact CE2-CB 4.04Å; F42-A66 HydrophobicContact CZ-CB 4.08Å
43R98.6Very high98.3Very high114 Ų11452.3 Ų52.343%0.4327%0.267SS..EExtended strand (participates in β ladder)trans-122.7134.3174.6-67.1-161170.5172.9-7.2111.2V33 R34 E39 E41 V45V33-R43 WeakPolarHBondContact CA-O 3.38Å; R34-R43 PolarHBondContact N-O 2.75Å; R34-R43 PolarHBondContact O-N 2.93Å; E39-R43 IonicContact OE1-CZ 3.65Å; E39-R43 IonicContact OE1-NE 3.89Å; E39-R43 IonicContact OE1-NH1 3.96Å; E39-R43 PolarHBondContact OE1-NH1 3.33Å; E39-R43 VanDerWaalsContact OE2-CD 3.26Å; E39-R43 WeakPolarHBondContact OE2-CD 3.42Å; E39-R43 IonicContact OE2-NE 3.6Å; E39-R43 IonicContact OE2-NH1 2.78Å; E41-R43 HydrophobicContact CG-CG 4.26Å; E41-R43 IonicContact OE1-CZ 3.64Å; E41-R43 IonicContact OE1-NE 3.27Å; E41-R43 PolarHBondContact OE1-NE 3.1Å; E41-R43 IonicContact OE1-NH2 2.74Å; E41-R43 PolarHBondContact OE1-NH2 3.37Å; R43-V45 PolarHBondContact O-N 3.23Å
44A98.4Very high98.3Very high43 Ų4358.3 Ų58.336%0.35530%0.295SS..EExtended strand (participates in β ladder)trans-68.1125.5168.300000109.3R50 A53A44-R50 HydrophobicContact CB-CB 4.2Å; A44-A53 HydrophobicContact CB-CB 4.23Å
45V98.2Very high98.3Very high64 Ų6460.9 Ų60.939%0.38831%0.306SS..SBendtrans-88.7-29.9172.5178.70000109.9E31 S32 R34 R43E31-V45 HydrophobicContact CB-CG1 4.28Å; E31-V45 HydrophobicContact CG-CB 4.27Å; E31-V45 HydrophobicContact CG-CG1 4.4Å; E31-V45 HydrophobicContact CG-CG2 3.95Å; E31-V45 WeakPolarHBondContact O-CB 3.44Å; E31-V45 WeakPolarHBondContact O-CG1 3.47Å; S32-V45 PolarHBondContact O-N 2.94Å; R34-V45 HydrophobicContact CB-CG2 4.19Å; R43-V45 PolarHBondContact O-N 3.23Å
46T97.9Very high98.2Very high29 Ų2962.8 Ų62.818%0.17831%0.313CS..SBendtrans-129.8164173650000110.5E30 E31 S32 L48 G49E30-T46 HydrophobicContact CG-CG2 3.95Å; E30-T46 WeakPolarHBondContact OE1-CG2 3.19Å; E31-T46 WeakPolarHBondContact O-CG2 3.26Å; S32-T46 WeakPolarHBondContact CA-OG1 3.44Å; S32-T46 PolarHBondContact O-N 3.18Å; T46-L48 PolarHBondContact O-N 3.32Å; T46-L48 VanDerWaalsContact O-N 3.14Å; T46-G49 PolarHBondContact O-N 3.33Å
47E97.4Very high98.2Very high130 Ų13064.6 Ų64.661%0.60732%0.323SS*.G310 helixtrans-54.7-33.4177-64.8-62.1120.700112.8G49 R50E47-G49 PolarHBondContact O-N 2.88Å; E47-R50 WeakPolarHBondContact O-CB 3.31Å; E47-R50 PolarHBondContact O-N 2.89Å; E47-R50 IonicContact OE1-CZ 2.72Å; E47-R50 IonicContact OE1-NH2 3.72Å; E47-R50 PolarHBondContact OE1-NH2 2.96Å; E47-R50 IonicContact OE2-CZ 3.81Å; E47-R50 IonicContact OE2-NH1 2.61Å; E47-R50 PolarHBondContact OE2-NH1 2.95Å; E47-R50 IonicContact OE2-NH2 2.79Å; E47-R50 PolarHBondContact OE2-NH2 2.91Å
48L96.5Very high98.2Very high100 Ų10067.4 Ų67.452%0.52434%0.343SS..G310 helixtrans-61.4-32.8178.9-176.565.7000112.4Y27 T46 P51Y27-L48 HydrophobicContact CD1-CD2 3.91Å; Y27-L48 HydrophobicContact CD2-CD2 3.96Å; Y27-L48 HydrophobicContact CE1-CD2 4.45Å; Y27-L48 HydrophobicContact CE2-CD2 4.46Å; Y27-L48 HydrophobicContact CG-CD2 3.67Å; T46-L48 PolarHBondContact O-N 3.32Å; T46-L48 VanDerWaalsContact O-N 3.14Å; L48-P51 WeakPolarHBondContact O-CD 3.35Å
49G98.1Very high98.3Very high0 Ų066.6 Ų66.60%034%0.336CS..G310 helixtrans-86.4-4.2-179.100000114.9S32 T46 E47 D52 A53S32-G49 WeakPolarHBondContact O-CA 3.39Å; T46-G49 PolarHBondContact O-N 3.33Å; E47-G49 PolarHBondContact O-N 2.88Å; G49-D52 PolarHBondContact O-N 2.98Å; G49-A53 WeakPolarHBondContact O-CB 3.33Å; G49-A53 PolarHBondContact O-N 2.84Å
50R98.6Very high98.2Very high109 Ų10970.4 Ų70.441%0.41135%0.351SS..Hα-helixtrans-57.9-48-179.7-176.7-179.1-66.1138.66.6112.8A44 E47 D52 A53 E54A44-R50 HydrophobicContact CB-CB 4.2Å; E47-R50 WeakPolarHBondContact O-CB 3.31Å; E47-R50 PolarHBondContact O-N 2.89Å; E47-R50 IonicContact OE1-CZ 2.72Å; E47-R50 IonicContact OE1-NH2 3.72Å; E47-R50 PolarHBondContact OE1-NH2 2.96Å; E47-R50 IonicContact OE2-CZ 3.81Å; E47-R50 IonicContact OE2-NH1 2.61Å; E47-R50 PolarHBondContact OE2-NH1 2.95Å; E47-R50 IonicContact OE2-NH2 2.79Å; E47-R50 PolarHBondContact OE2-NH2 2.91Å; R50-D52 VanDerWaalsContact C-N 3.3Å; R50-D52 PolarHBondContact O-N 2.9Å; R50-A53 PolarHBondContact O-N 2.65Å; R50-E54 WeakPolarHBondContact CD-OE1 3.47Å; R50-E54 HydrophobicContact CG-CG 4.36Å; R50-E54 VanDerWaalsContact CG-OE1 3.24Å; R50-E54 WeakPolarHBondContact CG-OE1 3.34Å; R50-E54 WeakPolarHBondContact O-CG 3.4Å; R50-E54 PolarHBondContact O-N 2.94Å
51P98.4Very high98.2Very high82 Ų8275.1 Ų75.153%0.53237%0.374SS..Hα-helixtrans-61.3-39.5179.3-22.234.7000112.5L48 Y55L48-P51 WeakPolarHBondContact O-CD 3.35Å; P51-Y55 WeakPolarHBondContact O-CB 3.4Å; P51-Y55 PolarHBondContact O-N 2.86Å
52D98Very high98.2Very high61 Ų6174.3 Ų74.333%0.32637%0.371SS..Hα-helixtrans-66.9-45.2179.1-67.1-26.7000111.1V33 G49 R50 Y55 W56V33-D52 HydrophobicContact CG1-CB 4.27Å; G49-D52 PolarHBondContact O-N 2.98Å; R50-D52 VanDerWaalsContact C-N 3.3Å; R50-D52 PolarHBondContact O-N 2.9Å; D52-Y55 PolarHBondContact O-N 2.84Å; D52-W56 HydrophobicContact CB-CD2 4.4Å; D52-W56 HydrophobicContact CB-CE3 4.27Å; D52-W56 HydrophobicContact CB-CH2 4.13Å; D52-W56 HydrophobicContact CB-CZ2 4.19Å; D52-W56 HydrophobicContact CB-CZ3 4.18Å; D52-W56 WeakPolarHBondContact O-CB 3.28Å; D52-W56 VanDerWaalsContact O-CG 3.23Å; D52-W56 PolarHBondContact O-N 2.92Å
53A98.6Very high98.2Very high7 Ų774.8 Ų74.86%0.05837%0.374CS..Hα-helixtrans-61.9-46.8178.200000111.9V33 F42 A44 G49 R50 N57V33-A53 HydrophobicContact CG2-CB 3.95Å; F42-A53 HydrophobicContact CB-CB 4.31Å; A44-A53 HydrophobicContact CB-CB 4.23Å; G49-A53 WeakPolarHBondContact O-CB 3.33Å; G49-A53 PolarHBondContact O-N 2.84Å; R50-A53 PolarHBondContact O-N 2.65Å; A53-N57 VanDerWaalsContact O-CB 3.28Å; A53-N57 WeakPolarHBondContact O-CB 3.38Å; A53-N57 VanDerWaalsContact O-CG 3.23Å; A53-N57 PolarHBondContact O-N 2.8Å; A53-N57 PolarHBondContact O-ND2 3.01Å; A53-N57 VanDerWaalsContact O-ND2 3.08Å
54E98.6Very high98.2Very high126 Ų12673.6 Ų73.659%0.58937%0.373SS*.Hα-helixtrans-61.8-46.3176.7-72.8173.7-17300111.4R50 S58R50-E54 WeakPolarHBondContact CD-OE1 3.47Å; R50-E54 HydrophobicContact CG-CG 4.36Å; R50-E54 VanDerWaalsContact CG-OE1 3.24Å; R50-E54 WeakPolarHBondContact CG-OE1 3.34Å; R50-E54 WeakPolarHBondContact O-CG 3.4Å; R50-E54 PolarHBondContact O-N 2.94Å; E54-S58 WeakPolarHBondContact O-CB 3.4Å; E54-S58 PolarHBondContact O-N 3.01Å
55Y98.6Very high98.2Very high127 Ų12778.4 Ų78.450%0.49839%0.388SS..Hα-helixtrans-61.9-51.6179177.7-108.3000111.6P51 D52 N57 S58 Q59P51-Y55 WeakPolarHBondContact O-CB 3.4Å; P51-Y55 PolarHBondContact O-N 2.86Å; D52-Y55 PolarHBondContact O-N 2.84Å; Y55-N57 PolarHBondContact O-N 3.36Å; Y55-S58 PolarHBondContact O-N 3.49Å; Y55-S58 VanDerWaalsContact O-N 3.14Å; Y55-S58 PolarHBondContact O-OG 3.16Å; Y55-Q59 HydrophobicContact CE1-CG 4.36Å; Y55-Q59 HydrophobicContact CE2-CG 4.28Å; Y55-Q59 WeakPolarHBondContact O-CG 3.44Å; Y55-Q59 PolarHBondContact O-N 3.26Å; Y55-Q59 PolarHBondContact OH-NE2 3.47Å; Y55-Q59 VanDerWaalsContact OH-NE2 3.16Å
56W98.6Very high98.2Very high41 Ų4175.9 Ų75.916%0.15537%0.374CS..Hα-helixtrans-66.8-35.9-178.3-63.2-27.8000113Y25 V33 F42 D52 S58 Q59 I62Y25-W56 HydrophobicContact CD1-CH2 4.06Å; Y25-W56 AromaticContact CD2-CH2 3.75Å; Y25-W56 HydrophobicContact CD2-CH2 3.75Å; Y25-W56 AromaticContact CD2-CZ3 3.68Å; Y25-W56 HydrophobicContact CD2-CZ3 3.68Å; Y25-W56 AromaticContact CE1-CH2 3.97Å; Y25-W56 HydrophobicContact CE1-CH2 3.97Å; Y25-W56 AromaticContact CE2-CH2 3.72Å; Y25-W56 HydrophobicContact CE2-CH2 3.72Å; Y25-W56 AromaticContact CE2-CZ3 3.62Å; Y25-W56 HydrophobicContact CE2-CZ3 3.62Å; Y25-W56 AromaticContact CG-CH2 3.93Å; Y25-W56 HydrophobicContact CG-CH2 3.93Å; Y25-W56 HydrophobicContact CG-CZ3 4.28Å; Y25-W56 AromaticContact CZ-CH2 3.81Å; V33-W56 HydrophobicContact CB-CZ3 4.26Å; V33-W56 HydrophobicContact CG1-CE3 4.45Å; V33-W56 HydrophobicContact CG1-CH2 3.81Å; V33-W56 HydrophobicContact CG1-CZ3 3.43Å; V33-W56 VanDerWaalsContact CG1-CZ3 3.43Å; V33-W56 HydrophobicContact CG2-CE3 4.06Å; V33-W56 HydrophobicContact CG2-CZ3 3.75Å; F42-W56 HydrophobicContact CB-CE3 4.38Å; F42-W56 HydrophobicContact CD1-CD2 4.34Å; F42-W56 AromaticContact CD1-CE3 3.31Å; F42-W56 HydrophobicContact CD1-CE3 3.31Å; F42-W56 AromaticContact CD1-CZ3 3.78Å; F42-W56 HydrophobicContact CD1-CZ3 3.78Å; F42-W56 HydrophobicContact CD2-CB 3.73Å; F42-W56 HydrophobicContact CD2-CE3 4.46Å; F42-W56 HydrophobicContact CE1-CD2 4.34Å; F42-W56 AromaticContact CE1-CE3 3.53Å; F42-W56 HydrophobicContact CE1-CE3 3.53Å; F42-W56 AromaticContact CE1-CZ3 3.89Å; F42-W56 HydrophobicContact CE1-CZ3 3.89Å; F42-W56 HydrophobicContact CE2-CB 3.99Å; F42-W56 HydrophobicContact CG-CB 4.07Å; F42-W56 AromaticContact CG-CE3 3.81Å; F42-W56 HydrophobicContact CG-CE3 3.81Å; F42-W56 HydrophobicContact CZ-CE3 4.23Å; D52-W56 HydrophobicContact CB-CD2 4.4Å; D52-W56 HydrophobicContact CB-CE3 4.27Å; D52-W56 HydrophobicContact CB-CH2 4.13Å; D52-W56 HydrophobicContact CB-CZ2 4.19Å; D52-W56 HydrophobicContact CB-CZ3 4.18Å; D52-W56 WeakPolarHBondContact O-CB 3.28Å; D52-W56 VanDerWaalsContact O-CG 3.23Å; D52-W56 PolarHBondContact O-N 2.92Å; W56-S58 VanDerWaalsContact C-N 3.27Å; W56-S58 PolarHBondContact O-N 3.16Å; W56-Q59 PolarHBondContact O-N 3.03Å; W56-I62 HydrophobicContact CB-CG2 4.32Å
57N98.7Very high98.2Very high46 Ų4679.4 Ų79.425%0.24638%0.384CS..Hα-helixtrans-68.6-27.2174.2-73.4-30000112.8F42 A53 Y55 Q59F42-N57 PolarHBondContact N-OD1 3.37Å; F42-N57 PolarHBondContact O-ND2 2.96Å; A53-N57 VanDerWaalsContact O-CB 3.28Å; A53-N57 WeakPolarHBondContact O-CB 3.38Å; A53-N57 VanDerWaalsContact O-CG 3.23Å; A53-N57 PolarHBondContact O-N 2.8Å; A53-N57 PolarHBondContact O-ND2 3.01Å; A53-N57 VanDerWaalsContact O-ND2 3.08Å; Y55-N57 PolarHBondContact O-N 3.36Å; N57-Q59 VanDerWaalsContact C-N 3.3Å
58S98.4Very high98.3Very high86 Ų8675.1 Ų75.160%0.60137%0.371SS*.Hα-helixtrans-73.7-22.1174.578.80000113.3E54 Y55 W56 K60E54-S58 WeakPolarHBondContact O-CB 3.4Å; E54-S58 PolarHBondContact O-N 3.01Å; Y55-S58 PolarHBondContact O-N 3.49Å; Y55-S58 VanDerWaalsContact O-N 3.14Å; Y55-S58 PolarHBondContact O-OG 3.16Å; W56-S58 VanDerWaalsContact C-N 3.27Å; W56-S58 PolarHBondContact O-N 3.16Å; S58-K60 PolarHBondContact O-N 3.38Å
59Q98.5Very high98.4Very high65 Ų6570.7 Ų70.730%0.30435%0.349SS..  trans-90.597.6179.7-62.2-69.711.800110.1Y55 W56 N57 D61 I62 L63Y55-Q59 HydrophobicContact CE1-CG 4.36Å; Y55-Q59 HydrophobicContact CE2-CG 4.28Å; Y55-Q59 WeakPolarHBondContact O-CG 3.44Å; Y55-Q59 PolarHBondContact O-N 3.26Å; Y55-Q59 PolarHBondContact OH-NE2 3.47Å; Y55-Q59 VanDerWaalsContact OH-NE2 3.16Å; W56-Q59 PolarHBondContact O-N 3.03Å; N57-Q59 VanDerWaalsContact C-N 3.3Å; Q59-D61 VanDerWaalsContact C-N 3.28Å; Q59-D61 PolarHBondContact O-N 2.96Å; Q59-I62 HydrophobicContact CB-CB 4Å; Q59-I62 HydrophobicContact CB-CD1 3.7Å; Q59-I62 HydrophobicContact CB-CG1 3.85Å; Q59-I62 HydrophobicContact CG-CD1 3.99Å; Q59-I62 PolarHBondContact O-N 3Å; Q59-I62 VanDerWaalsContact O-N 3.16Å; Q59-L63 PolarHBondContact O-N 3.23Å
60K97.8Very high98.4Very high160 Ų16071.5 Ų71.570%0.69635%0.354SS*.Hα-helixtrans-58.2-39.1-173.1-175.2176.8179.3179.50113S58 E64S58-K60 PolarHBondContact O-N 3.38Å; K60-E64 HydrophobicContact CG-CG 4.22Å; K60-E64 WeakPolarHBondContact O-CB 3.29Å; K60-E64 VanDerWaalsContact O-CG 3.25Å; K60-E64 WeakPolarHBondContact O-CG 3.44Å; K60-E64 PolarHBondContact O-N 2.78Å
61D98.2Very high98.4Very high111 Ų11170.8 Ų70.859%0.59436%0.358SS*.Hα-helixtrans-62.3-45.5177.358.7-27.6000112.3Q59 Q65Q59-D61 VanDerWaalsContact C-N 3.28Å; Q59-D61 PolarHBondContact O-N 2.96Å; D61-Q65 VanDerWaalsContact O-CB 3.31Å; D61-Q65 WeakPolarHBondContact O-CB 3.36Å; D61-Q65 PolarHBondContact O-N 3.42Å
62I97.9Very high98.3Very high52 Ų5271.4 Ų71.427%0.26736%0.36SS..Hα-helixtrans-62.7-47.2177-61.5-178.4000110.5F42 W56 Q59 Q65 A66F42-I62 HydrophobicContact CE2-CG2 4.12Å; F42-I62 HydrophobicContact CZ-CG2 4.36Å; W56-I62 HydrophobicContact CB-CG2 4.32Å; Q59-I62 HydrophobicContact CB-CB 4Å; Q59-I62 HydrophobicContact CB-CD1 3.7Å; Q59-I62 HydrophobicContact CB-CG1 3.85Å; Q59-I62 HydrophobicContact CG-CD1 3.99Å; Q59-I62 PolarHBondContact O-N 3Å; Q59-I62 VanDerWaalsContact O-N 3.16Å; I62-Q65 PolarHBondContact O-N 2.71Å; I62-A66 PolarHBondContact O-N 3.33Å
63L98.4Very high98.3Very high18 Ų1872.6 Ų72.69%0.09436%0.361CS..Hα-helixtrans-65-43.9-177.5-175.558.4000112.3F35 G40 E41 F42 Q59 A66 R67F35-L63 HydrophobicContact CD2-CD1 4.46Å; F35-L63 HydrophobicContact CE2-CD1 3.96Å; G40-L63 WeakPolarHBondContact O-CD1 3.03Å; E41-L63 HydrophobicContact CB-CD1 4.47Å; F42-L63 HydrophobicContact CD2-CD1 4.36Å; Q59-L63 PolarHBondContact O-N 3.23Å; L63-A66 PolarHBondContact O-N 2.85Å; L63-R67 VanDerWaalsContact O-CG 3.29Å; L63-R67 WeakPolarHBondContact O-CG 3.33Å; L63-R67 PolarHBondContact O-N 2.61Å
64E98.4Very high98.2Very high88 Ų8872.3 Ų72.341%0.41136%0.359SS..Hα-helixtrans-67.3-36.5176.2-69.6-57.9129.800111.9K60 R67 A68K60-E64 HydrophobicContact CG-CG 4.22Å; K60-E64 WeakPolarHBondContact O-CB 3.29Å; K60-E64 VanDerWaalsContact O-CG 3.25Å; K60-E64 WeakPolarHBondContact O-CG 3.44Å; K60-E64 PolarHBondContact O-N 2.78Å; E64-R67 PolarHBondContact O-N 3.19Å; E64-R67 IonicContact OE1-CZ 3.4Å; E64-R67 IonicContact OE1-NH1 3.8Å; E64-R67 PolarHBondContact OE1-NH1 2.92Å; E64-A68 WeakPolarHBondContact O-CB 3.45Å; E64-A68 PolarHBondContact O-N 2.76Å
65Q98.3Very high98.1Very high144 Ų14469.9 Ų69.967%0.67334%0.344SS*.Hα-helixtrans-63.4-42.4174-172.8178.211.900111.7D61 I62 A68 A69D61-Q65 VanDerWaalsContact O-CB 3.31Å; D61-Q65 WeakPolarHBondContact O-CB 3.36Å; D61-Q65 PolarHBondContact O-N 3.42Å; I62-Q65 PolarHBondContact O-N 2.71Å; Q65-A68 PolarHBondContact O-N 3.4Å; Q65-A69 PolarHBondContact O-N 2.78Å; Q65-A69 VanDerWaalsContact O-N 3.1Å
66A98.2Very high98Very high11 Ų1169.4 Ų69.49%0.09135%0.346CS..Hα-helixtrans-63.8-41.8176.600000111.8F35 F42 I62 L63 A68 A69F35-A66 HydrophobicContact CD1-CB 4Å; F35-A66 HydrophobicContact CD2-CB 3.76Å; F35-A66 HydrophobicContact CE1-CB 3.9Å; F35-A66 WeakPolarHBondContact CE1-O 3.25Å; F35-A66 HydrophobicContact CE2-CB 3.66Å; F35-A66 HydrophobicContact CG-CB 3.93Å; F35-A66 HydrophobicContact CZ-CB 3.74Å; F42-A66 HydrophobicContact CE2-CB 4.04Å; F42-A66 HydrophobicContact CZ-CB 4.08Å; I62-A66 PolarHBondContact O-N 3.33Å; L63-A66 PolarHBondContact O-N 2.85Å; A66-A68 PolarHBondContact O-N 2.78Å; A66-A69 VanDerWaalsContact O-CB 3.26Å; A66-A69 WeakPolarHBondContact O-CB 3.2Å; A66-A69 PolarHBondContact O-N 2.96Å
67R98.5Very high97.8Very high103 Ų10370.1 Ų70.139%0.38935%0.353SS..Hα-helixtrans-61.3-42.6173.8-71.1166.9177.5173.7-2.6112.1F35 G40 L63 E64 A69F35-R67 HydrophobicContact CE2-CG 4.24Å; F35-R67 HydrophobicContact CZ-CB 4.46Å; F35-R67 HydrophobicContact CZ-CG 3.84Å; G40-R67 VanDerWaalsContact O-CZ 3.28Å; G40-R67 PolarHBondContact O-NE 3.37Å; G40-R67 PolarHBondContact O-NH2 3.22Å; L63-R67 VanDerWaalsContact O-CG 3.29Å; L63-R67 WeakPolarHBondContact O-CG 3.33Å; L63-R67 PolarHBondContact O-N 2.61Å; E64-R67 PolarHBondContact O-N 3.19Å; E64-R67 IonicContact OE1-CZ 3.4Å; E64-R67 IonicContact OE1-NH1 3.8Å; E64-R67 PolarHBondContact OE1-NH1 2.92Å; R67-A69 PolarHBondContact O-N 3.18Å
68A98.6Very high97.5Very high40 Ų4070.4 Ų70.433%0.33135%0.351SS..Hα-helixtrans-73.1-12179.100000113.8E64 Q65 A66 V70 D71 T72E64-A68 WeakPolarHBondContact O-CB 3.45Å; E64-A68 PolarHBondContact O-N 2.76Å; Q65-A68 PolarHBondContact O-N 3.4Å; A66-A68 PolarHBondContact O-N 2.78Å; A68-V70 PolarHBondContact O-N 3.06Å; A68-D71 PolarHBondContact O-N 2.9Å; A68-T72 HydrophobicContact CB-CG2 4.26Å; A68-T72 WeakPolarHBondContact O-CB 3.42Å; A68-T72 WeakPolarHBondContact O-CG2 3.46Å; A68-T72 PolarHBondContact O-N 3.39Å; A68-T72 PolarHBondContact O-OG1 2.86Å
69A98.5Very high97.2Very high8 Ų868.3 Ų68.37%0.06634%0.343CS..Hα-helixtrans-64.6-23.3-176.600000113.3F21 Q65 A66 R67 D71 T72 Y73 C74F21-A69 HydrophobicContact CD1-CB 3.55Å; F21-A69 HydrophobicContact CD2-CB 4.27Å; F21-A69 HydrophobicContact CE1-CB 3.48Å; F21-A69 VanDerWaalsContact CE1-CB 3.48Å; F21-A69 HydrophobicContact CE2-CB 4.21Å; F21-A69 HydrophobicContact CG-CB 3.95Å; F21-A69 HydrophobicContact CZ-CB 3.82Å; Q65-A69 PolarHBondContact O-N 2.78Å; Q65-A69 VanDerWaalsContact O-N 3.1Å; A66-A69 VanDerWaalsContact O-CB 3.26Å; A66-A69 WeakPolarHBondContact O-CB 3.2Å; A66-A69 PolarHBondContact O-N 2.96Å; R67-A69 PolarHBondContact O-N 3.18Å; A69-D71 VanDerWaalsContact C-N 3.28Å; A69-D71 PolarHBondContact O-N 2.86Å; A69-T72 WeakPolarHBondContact CA-OG1 3.36Å; A69-Y73 WeakPolarHBondContact O-CA 3.37Å; A69-Y73 VanDerWaalsContact O-CB 3.29Å; A69-Y73 WeakPolarHBondContact O-CB 3.2Å; A69-Y73 PolarHBondContact O-N 2.87Å; A69-C74 PolarHBondContact O-N 3.23Å
70V98.4Very high96.8Very high17 Ų1768.6 Ų68.610%0.10335%0.349CS..Iπ-helixtrans-57-44.3174-171.60000110.8V19 F21 S37 A68 C74 R75V19-V70 HydrophobicContact CB-CG1 3.75Å; V19-V70 HydrophobicContact CG1-CG1 3.89Å; V19-V70 WeakPolarHBondContact O-CG1 3.5Å; F21-V70 HydrophobicContact CB-CG2 3.93Å; S37-V70 VanDerWaalsContact CB-CG2 3.4Å; A68-V70 PolarHBondContact O-N 3.06Å; V70-C74 VanDerWaalsContact O-CB 3.31Å; V70-C74 WeakPolarHBondContact O-CB 3.22Å; V70-R75 VanDerWaalsContact CG1-NH1 3.34Å; V70-R75 PolarHBondContact O-N 3.43Å
71D98.1Very high96.2Very high94 Ų9464.5 Ų64.550%0.50334%0.337SS..Iπ-helixtrans-88.2-52.2179.5-71-55.7000112.3A68 A69 Y73 R75 H76A68-D71 PolarHBondContact O-N 2.9Å; A69-D71 VanDerWaalsContact C-N 3.28Å; A69-D71 PolarHBondContact O-N 2.86Å; D71-Y73 VanDerWaalsContact C-N 3.32Å; D71-Y73 PolarHBondContact O-N 2.81Å; D71-R75 WeakPolarHBondContact OD1-CD 3.46Å; D71-R75 IonicContact OD1-CZ 3.88Å; D71-R75 IonicContact OD1-NE 2.92Å; D71-R75 IonicContact OD1-NH1 3.19Å; D71-R75 PolarHBondContact OD1-NH1 2.86Å; D71-R75 IonicContact OD2-NH1 3.54Å; D71-H76 PolarHBondContact O-N 3.14Å
72T97.8Very high95.4Very high94 Ų9462.1 Ų62.158%0.57732%0.323SS*.Iπ-helixtrans-72.1-26.8-169.459.40000113.1A68 A69 H76A68-T72 HydrophobicContact CB-CG2 4.26Å; A68-T72 WeakPolarHBondContact O-CB 3.42Å; A68-T72 WeakPolarHBondContact O-CG2 3.46Å; A68-T72 PolarHBondContact O-N 3.39Å; A68-T72 PolarHBondContact O-OG1 2.86Å; A69-T72 WeakPolarHBondContact CA-OG1 3.36Å; T72-H76 VanDerWaalsContact O-CB 3.3Å; T72-H76 WeakPolarHBondContact O-CB 3.35Å
73Y97.1Very high94.1Very high86 Ų8661.9 Ų61.934%0.33733%0.326SS..Iπ-helixtrans-110.8-59.1178.9-177.2-102000111.4R8 F21 A69 D71 N77R8-Y73 HydrophobicContact CB-CE1 4.48Å; F21-Y73 HydrophobicContact CD2-CD1 4.47Å; F21-Y73 HydrophobicContact CE2-CD1 4.08Å; F21-Y73 HydrophobicContact CE2-CE1 4.47Å; A69-Y73 WeakPolarHBondContact O-CA 3.37Å; A69-Y73 VanDerWaalsContact O-CB 3.29Å; A69-Y73 WeakPolarHBondContact O-CB 3.2Å; A69-Y73 PolarHBondContact O-N 2.87Å; D71-Y73 VanDerWaalsContact C-N 3.32Å; D71-Y73 PolarHBondContact O-N 2.81Å; Y73-N77 VanDerWaalsContact CD2-ND2 3.33Å; Y73-N77 WeakPolarHBondContact CD2-ND2 3.45Å; Y73-N77 WeakPolarHBondContact CE2-ND2 3.39Å; Y73-N77 VanDerWaalsContact O-CB 3.22Å; Y73-N77 WeakPolarHBondContact O-CB 3.46Å; Y73-N77 PolarHBondContact O-N 3.05Å; Y73-N77 PolarHBondContact O-ND2 2.72Å; Y73-N77 VanDerWaalsContact O-ND2 3.07Å
74C97.7Very high92.5Very high1 Ų166.7 Ų66.71%0.00735%0.346CS..Iπ-helixtrans-68.5-59.2-172-63.40000112.8C10 F12 V19 F21 A69 V70 H76 N77 Y78C10-C74 HydrophobicContact CB-CB 3.63Å; C10-C74 WeakPolarHBondContact CB-SG 3.48Å; C10-C74 WeakPolarHBondContact SG-CA 3.44Å; C10-C74 WeakPolarHBondContact SG-CB 3.39Å; C10-C74 CovalentContact SG-SG 2.03Å; C10-C74 PolarHBondContact SG-SG 2.66Å; F12-C74 HydrophobicContact CE1-CB 4.26Å; F12-C74 HydrophobicContact CZ-CB 3.94Å; F12-C74 WeakPolarHBondContact CZ-O 3.22Å; V19-C74 HydrophobicContact CG1-CB 3.58Å; F21-C74 VanDerWaalsContact CD2-SG 3.56Å; A69-C74 PolarHBondContact O-N 3.23Å; V70-C74 VanDerWaalsContact O-CB 3.31Å; V70-C74 WeakPolarHBondContact O-CB 3.22Å; C74-H76 VanDerWaalsContact C-N 3.33Å; C74-H76 PolarHBondContact O-N 3.28Å; C74-N77 PolarHBondContact O-N 3.45Å; C74-Y78 WeakPolarHBondContact O-CB 3.47Å; C74-Y78 PolarHBondContact O-N 3.42Å
75R96.6Very high91.1Very high75 Ų7566.5 Ų66.528%0.28335%0.351SS..Iπ-helixtrans-63.3-39.7-179.8-70.5-171.1-178.492.12.7112.3T16 V19 V70 D71 Y78 G79T16-R75 HydrophobicContact CG2-CG 4.5Å; T16-R75 PolarHBondContact O-NE 2.93Å; V19-R75 HydrophobicContact CG2-CG 3.95Å; V70-R75 VanDerWaalsContact CG1-NH1 3.34Å; V70-R75 PolarHBondContact O-N 3.43Å; D71-R75 WeakPolarHBondContact OD1-CD 3.46Å; D71-R75 IonicContact OD1-CZ 3.88Å; D71-R75 IonicContact OD1-NE 2.92Å; D71-R75 IonicContact OD1-NH1 3.19Å; D71-R75 PolarHBondContact OD1-NH1 2.86Å; D71-R75 IonicContact OD2-NH1 3.54Å; R75-Y78 PolarHBondContact O-N 3.14Å; R75-G79 PolarHBondContact O-N 3.42Å
76H95.1Very high89.3Confident117 Ų11763.1 Ų63.154%0.54234%0.34SS..Hα-helixtrans-55-54.6174179.371.8000111.8D71 T72 C74 Y78 G79 V80D71-H76 PolarHBondContact O-N 3.14Å; T72-H76 VanDerWaalsContact O-CB 3.3Å; T72-H76 WeakPolarHBondContact O-CB 3.35Å; C74-H76 VanDerWaalsContact C-N 3.33Å; C74-H76 PolarHBondContact O-N 3.28Å; H76-Y78 VanDerWaalsContact C-N 3.34Å; H76-Y78 PolarHBondContact O-N 3.02Å; H76-G79 PolarHBondContact O-N 3.31Å; H76-V80 WeakPolarHBondContact O-CG2 3.47Å; H76-V80 PolarHBondContact O-N 3.24Å; H76-V80 VanDerWaalsContact O-N 3.12Å
77N94.4Very high87.4Confident56 Ų5669.4 Ų69.430%0.29937%0.368SS..Hα-helixtrans-66.4-36-179.1-70.9-25.4000112.4Y73 C74 V80 V81Y73-N77 VanDerWaalsContact CD2-ND2 3.33Å; Y73-N77 WeakPolarHBondContact CD2-ND2 3.45Å; Y73-N77 WeakPolarHBondContact CE2-ND2 3.39Å; Y73-N77 VanDerWaalsContact O-CB 3.22Å; Y73-N77 WeakPolarHBondContact O-CB 3.46Å; Y73-N77 PolarHBondContact O-N 3.05Å; Y73-N77 PolarHBondContact O-ND2 2.72Å; Y73-N77 VanDerWaalsContact O-ND2 3.07Å; C74-N77 PolarHBondContact O-N 3.45Å; N77-V80 PolarHBondContact O-N 2.96Å; N77-V81 WeakPolarHBondContact O-CB 3.26Å; N77-V81 WeakPolarHBondContact O-CG2 3.28Å; N77-V81 PolarHBondContact O-N 3.31Å
78Y92.9Very high85.2Confident52 Ų5273.9 Ų73.920%0.20438%0.384CS..Hα-helixtrans-59.1-49.6174.6-173.3-85.7000110.8F12 T16 C74 R75 H76 V80 V81 E82F12-Y78 AromaticContact CD1-CD2 3.7Å; F12-Y78 HydrophobicContact CD1-CD2 3.7Å; F12-Y78 HydrophobicContact CD1-CE2 4.3Å; F12-Y78 HydrophobicContact CD1-CG 4.13Å; F12-Y78 HydrophobicContact CD2-CD2 4Å; F12-Y78 AromaticContact CE1-CD2 3.72Å; F12-Y78 HydrophobicContact CE1-CD2 3.72Å; F12-Y78 AromaticContact CE1-CG 3.83Å; F12-Y78 HydrophobicContact CE1-CG 3.83Å; F12-Y78 AromaticContact CE2-CD2 3.99Å; F12-Y78 HydrophobicContact CE2-CD2 3.99Å; F12-Y78 AromaticContact CG-CD2 3.87Å; F12-Y78 HydrophobicContact CG-CD2 3.87Å; F12-Y78 HydrophobicContact CG-CE2 4.23Å; F12-Y78 AromaticContact CZ-CD2 3.87Å; F12-Y78 HydrophobicContact CZ-CD2 3.87Å; F12-Y78 HydrophobicContact CZ-CG 4.15Å; T16-Y78 HydrophobicContact CG2-CD1 3.42Å; T16-Y78 VanDerWaalsContact CG2-CD1 3.42Å; T16-Y78 HydrophobicContact CG2-CE1 3.8Å; T16-Y78 HydrophobicContact CG2-CG 3.92Å; C74-Y78 WeakPolarHBondContact O-CB 3.47Å; C74-Y78 PolarHBondContact O-N 3.42Å; R75-Y78 PolarHBondContact O-N 3.14Å; H76-Y78 VanDerWaalsContact C-N 3.34Å; H76-Y78 PolarHBondContact O-N 3.02Å; Y78-V80 VanDerWaalsContact C-N 3.3Å; Y78-V80 PolarHBondContact O-N 3.29Å; Y78-V81 PolarHBondContact O-N 2.89Å; Y78-E82 HydrophobicContact CD1-CB 4.15Å; Y78-E82 HydrophobicContact CE1-CB 3.91Å; Y78-E82 HydrophobicContact CE1-CG 3.98Å; Y78-E82 WeakPolarHBondContact CE1-OE1 3.46Å; Y78-E82 WeakPolarHBondContact O-CB 3.42Å; Y78-E82 PolarHBondContact O-N 3.37Å; Y78-E82 PolarHBondContact OH-OE1 2.82Å
79G91.2Very high82.9Confident42 Ų4285.8 Ų85.843%0.43342%0.421SS..Hα-helixtrans-61.1-36.9177.900000113.3R75 H76R75-G79 PolarHBondContact O-N 3.42Å; H76-G79 PolarHBondContact O-N 3.31Å
80V89.8Confident82.1Confident71 Ų7189.7 Ų89.743%0.4344%0.438SS..Hα-helixtrans-63.8-49.1174.1174.60000110.7H76 N77 Y78 S83 F84H76-V80 WeakPolarHBondContact O-CG2 3.47Å; H76-V80 PolarHBondContact O-N 3.24Å; H76-V80 VanDerWaalsContact O-N 3.12Å; N77-V80 PolarHBondContact O-N 2.96Å; Y78-V80 VanDerWaalsContact C-N 3.3Å; Y78-V80 PolarHBondContact O-N 3.29Å; V80-S83 PolarHBondContact O-OG 2.94Å; V80-F84 WeakPolarHBondContact O-CD2 3.49Å; V80-F84 VanDerWaalsContact O-CE2 3.29Å; V80-F84 WeakPolarHBondContact O-CE2 3.44Å
81V86.3Confident81.2Confident74 Ų7493.5 Ų93.545%0.44846%0.456SS..Hα-helixtrans-79.9-35.1-172.7176.50000113.2N77 Y78 S83 F84 T85N77-V81 WeakPolarHBondContact O-CB 3.26Å; N77-V81 WeakPolarHBondContact O-CG2 3.28Å; N77-V81 PolarHBondContact O-N 3.31Å; Y78-V81 PolarHBondContact O-N 2.89Å; V81-S83 PolarHBondContact O-N 2.98Å; V81-F84 WeakPolarHBondContact O-CA 3.42Å; V81-F84 WeakPolarHBondContact O-CB 3.44Å; V81-F84 PolarHBondContact O-N 3Å; V81-T85 HydrophobicContact CG1-CG2 3.63Å; V81-T85 PolarHBondContact O-N 3.08Å; V81-T85 PolarHBondContact O-OG1 2.77Å; V81-T85 VanDerWaalsContact O-OG1 3.11Å
82E80.8Confident80.3Confident61 Ų6193.4 Ų93.429%0.28545%0.454SS..Hα-helixtrans-55.9-40.6-179-177.8-178-13400111.6Y78 F84 T85 V86 Q87Y78-E82 HydrophobicContact CD1-CB 4.15Å; Y78-E82 HydrophobicContact CE1-CB 3.91Å; Y78-E82 HydrophobicContact CE1-CG 3.98Å; Y78-E82 WeakPolarHBondContact CE1-OE1 3.46Å; Y78-E82 WeakPolarHBondContact O-CB 3.42Å; Y78-E82 PolarHBondContact O-N 3.37Å; Y78-E82 PolarHBondContact OH-OE1 2.82Å; E82-F84 PolarHBondContact O-N 2.98Å; E82-F84 VanDerWaalsContact O-N 3.13Å; E82-T85 PolarHBondContact O-N 3.32Å; E82-V86 HydrophobicContact CG-CB 3.72Å; E82-V86 HydrophobicContact CG-CG1 4.41Å; E82-V86 HydrophobicContact CG-CG2 3.88Å; E82-V86 PolarHBondContact O-N 2.89Å; E82-Q87 PolarHBondContact O-N 2.74Å
83S71.9Confident79.3Confident48 Ų4893.4 Ų93.434%0.33645%0.446SS..Hα-helixtrans-56.7-27.1175.472.80000113V80 V81V80-S83 PolarHBondContact O-OG 2.94Å; V81-S83 PolarHBondContact O-N 2.98Å
84F64.4Low78.1Confident118 Ų11893.9 Ų93.952%0.51845%0.453SS..Hα-helixtrans-96.1-29.3178.4-61.3-75.8000113.8V80 V81 E82 R88V80-F84 WeakPolarHBondContact O-CD2 3.49Å; V80-F84 VanDerWaalsContact O-CE2 3.29Å; V80-F84 WeakPolarHBondContact O-CE2 3.44Å; V81-F84 WeakPolarHBondContact O-CA 3.42Å; V81-F84 WeakPolarHBondContact O-CB 3.44Å; V81-F84 PolarHBondContact O-N 3Å; E82-F84 PolarHBondContact O-N 2.98Å; E82-F84 VanDerWaalsContact O-N 3.13Å; F84-R88 WeakPolarHBondContact O-CD 3.24Å
85T67.4Low76.8Confident85 Ų85100.1 Ų100.152%0.52148%0.483SS..Hα-helixtrans-111.3-29.9-167.259.40000114.9V81 E82V81-T85 HydrophobicContact CG1-CG2 3.63Å; V81-T85 PolarHBondContact O-N 3.08Å; V81-T85 PolarHBondContact O-OG1 2.77Å; V81-T85 VanDerWaalsContact O-OG1 3.11Å; E82-T85 PolarHBondContact O-N 3.32Å
86V62.3Low75.4Confident72 Ų72101.9 Ų101.944%0.43650%0.497SS..THydrogen-bonded Turntrans-104.3-43.9-175.9-178.40000111.3E82 R88 R89E82-V86 HydrophobicContact CG-CB 3.72Å; E82-V86 HydrophobicContact CG-CG1 4.41Å; E82-V86 HydrophobicContact CG-CG2 3.88Å; E82-V86 PolarHBondContact O-N 2.89Å; V86-R88 PolarHBondContact O-N 2.72Å; V86-R89 PolarHBondContact O-N 2.79Å
87Q56.6Low73.9Confident144 Ų144100.7 Ų100.767%0.67349%0.494SS*.THydrogen-bonded Turntrans-73-6.7-179.2-65.6-174.3-5.500114.4E82E82-Q87 PolarHBondContact O-N 2.74Å
88R54.1Low72.2Confident196 Ų196104.4 Ų104.474%0.7451%0.51SS*.THydrogen-bonded Turntrans-92.87.9175.8-72.4-168.5172178.9-6.2114F84 V86F84-R88 WeakPolarHBondContact O-CD 3.24Å; V86-R88 PolarHBondContact O-N 2.72Å
89R48.6Very low70.3Confident290 Ų290109.2 Ų109.2100%1.09454%0.538SS*.  trans-90.40171.7-81.2-172.9174.5-172.3-0.8111.9V86V86-R89 PolarHBondContact O-N 2.79Å

Retrieved 89 of 89 residues in 21.7 ms (Link to these results)

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