A0A060GZE9_HUMAN Loading...

MHC class II antigen

AlphaFold DB , UniProt , Accession A0A060GZE9, Species HUMAN (Homo sapiens, Human), Gene HLA-DQB1, 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
1R84.4Confident95.8Very high282 Ų28288.5 Ų88.5100%1.06442%0.422SS*.  0127.20174.2178.7176.1-178.9-0.6106.7
2F92.4Very high95.8Very high132 Ų13286.9 Ų86.958%0.57941%0.412SS*.  trans-76.8139.6175.4174.3-117.2000110.4E4 H27 N28F2-E4 HydrophobicContact CE1-CB 4.08Å; F2-E4 HydrophobicContact CE2-CB 4.44Å; F2-E4 HydrophobicContact CZ-CB 3.7Å; F2-E4 HydrophobicContact CZ-CG 4.42Å; F2-H27 AromaticContact CE2-CE1 3.23Å; F2-H27 WeakPolarHBondContact CE2-CE1 3.41Å; F2-H27 AromaticContact CE2-ND1 3.51Å; F2-H27 AromaticContact CE2-NE2 3.99Å; F2-N28 WeakPolarHBondContact CA-OD1 3.48Å
3L96.3Very high95.6Very high68 Ų6887.9 Ų87.936%0.35641%0.414SS..  trans-138.9126.6174.5178.468000109.4Y5 N28 Q29L3-Y5 HydrophobicContact CD1-CD1 4.49Å; L3-Y5 HydrophobicContact CD2-CD1 3.91Å; L3-Y5 HydrophobicContact CD2-CE1 3.95Å; L3-Y5 HydrophobicContact CG-CD1 3.93Å; L3-Y5 HydrophobicContact CG-CE1 4.41Å; L3-N28 PolarHBondContact N-OD1 3.46Å; L3-N28 WeakPolarHBondContact O-CA 3.23Å; L3-N28 PolarHBondContact O-N 2.88Å; L3-Q29 HydrophobicContact CD2-CG 4.06Å
4E96.1Very high95.4Very high87 Ų8791.7 Ų91.741%0.40744%0.439SS..EExtended strand (participates in β ladder)trans-125.1131.1171.6-167.267.3-140.900107.7F2 F26 H27F2-E4 HydrophobicContact CE1-CB 4.08Å; F2-E4 HydrophobicContact CE2-CB 4.44Å; F2-E4 HydrophobicContact CZ-CB 3.7Å; F2-E4 HydrophobicContact CZ-CG 4.42Å; E4-F26 WeakPolarHBondContact CA-O 3.41Å; E4-H27 IonicContact OE2-CE1 3.71Å; E4-H27 IonicContact OE2-CG 2.82Å; E4-H27 IonicContact OE2-ND1 3.41Å; E4-H27 PolarHBondContact OE2-ND1 3.02Å
5Y97.2Very high94.9Very high87 Ų8787.8 Ų87.834%0.34143%0.432SS..EExtended strand (participates in β ladder)trans-155.3162.8173.769.4-82.3000111.1L3 T7 F26L3-Y5 HydrophobicContact CD1-CD1 4.49Å; L3-Y5 HydrophobicContact CD2-CD1 3.91Å; L3-Y5 HydrophobicContact CD2-CE1 3.95Å; L3-Y5 HydrophobicContact CG-CD1 3.93Å; L3-Y5 HydrophobicContact CG-CE1 4.41Å; Y5-T7 HydrophobicContact CD2-CG2 4.22Å; Y5-T7 HydrophobicContact CE2-CG2 4.08Å; Y5-F26 HydrophobicContact CD1-CB 3.79Å; Y5-F26 HydrophobicContact CD2-CB 4.27Å; Y5-F26 AromaticContact CD2-CD2 3.76Å; Y5-F26 HydrophobicContact CD2-CD2 3.76Å; Y5-F26 HydrophobicContact CD2-CE2 4.41Å; Y5-F26 HydrophobicContact CD2-CG 4.23Å; Y5-F26 HydrophobicContact CE1-CB 3.44Å; Y5-F26 VanDerWaalsContact CE1-CB 3.44Å; Y5-F26 HydrophobicContact CE1-CD2 4.42Å; Y5-F26 AromaticContact CE1-CG 3.92Å; Y5-F26 HydrophobicContact CE1-CG 3.92Å; Y5-F26 HydrophobicContact CE2-CB 3.92Å; Y5-F26 HydrophobicContact CE2-CD1 4.24Å; Y5-F26 AromaticContact CE2-CD2 3.3Å; Y5-F26 HydrophobicContact CE2-CD2 3.3Å; Y5-F26 AromaticContact CE2-CE2 3.75Å; Y5-F26 HydrophobicContact CE2-CE2 3.75Å; Y5-F26 AromaticContact CE2-CG 3.57Å; Y5-F26 HydrophobicContact CE2-CG 3.57Å; Y5-F26 HydrophobicContact CE2-CZ 4.36Å; Y5-F26 HydrophobicContact CG-CB 4.2Å; Y5-F26 HydrophobicContact CG-CD2 4.47Å; Y5-F26 VanDerWaalsContact CZ-CB 3.49Å; Y5-F26 AromaticContact CZ-CD1 3.82Å; Y5-F26 AromaticContact CZ-CD2 3.68Å; Y5-F26 AromaticContact CZ-CG 3.39Å; Y5-F26 PolarHBondContact N-O 3.32Å; Y5-F26 PolarHBondContact O-N 3.08Å; Y5-F26 WeakPolarHBondContact OH-CD1 3.41Å; Y5-F26 WeakPolarHBondContact OH-CG 3.39Å
6S97.6Very high94.9Very high63 Ų6385.9 Ų85.944%0.44143%0.427SS..EExtended strand (participates in β ladder)trans-124.8158.6171.859.70000111.7R24S6-R24 CarbonylContact C-O 3.55Å; S6-R24 WeakPolarHBondContact CA-O 3.49Å; S6-R24 VanDerWaalsContact CB-O 3.24Å; S6-R24 WeakPolarHBondContact CB-O 3.47Å
7T98.2Very high94.7Very high39 Ų3989.6 Ų89.624%0.23944%0.443CS..EExtended strand (participates in β ladder)trans-127.1133.7169.663.30000110Y5 E9 D23 R24 F26Y5-T7 HydrophobicContact CD2-CG2 4.22Å; Y5-T7 HydrophobicContact CE2-CG2 4.08Å; T7-E9 PolarHBondContact OG1-OE1 3.1Å; T7-D23 WeakPolarHBondContact O-CA 3.48Å; T7-R24 PolarHBondContact N-O 3.04Å; T7-R24 PolarHBondContact O-N 3.49Å; T7-F26 HydrophobicContact CG2-CE2 3.97Å
8S97.8Very high94.8Very high59 Ų5992.4 Ų92.441%0.41345%0.448SS..EExtended strand (participates in β ladder)trans-114.9105.3172.9-45.30000108.2L22 D23S8-L22 CarbonylContact C-O 3.55Å; S8-L22 WeakPolarHBondContact CA-O 3.43Å; S8-D23 PolarHBondContact OG-OD1 3.47Å
9E98.1Very high95Very high53 Ų5387.9 Ų87.925%0.24843%0.427CS..EExtended strand (participates in β ladder)trans-113.4138-168.3-55.2172.1-14000110.9T7 H11 F21 L22 R24T7-E9 PolarHBondContact OG1-OE1 3.1Å; E9-H11 IonicContact OE2-CE1 3.8Å; E9-H11 IonicContact OE2-NE2 3.22Å; E9-H11 PolarHBondContact OE2-NE2 3.22Å; E9-F21 WeakPolarHBondContact O-CA 3.24Å; E9-F21 WeakPolarHBondContact O-CD2 3.37Å; E9-L22 HydrophobicContact CB-CB 4.31Å; E9-L22 PolarHBondContact N-O 3.41Å; E9-L22 PolarHBondContact O-N 3.42Å; E9-R24 WeakPolarHBondContact OE1-CD 3.33Å; E9-R24 IonicContact OE1-NH1 3.58Å; E9-R24 PolarHBondContact OE1-NH1 2.66Å; E9-R24 VanDerWaalsContact OE1-NH1 3.14Å
10C98.1Very high95.2Very high36 Ų3687.1 Ų87.124%0.24342%0.419CS..EExtended strand (participates in β ladder)trans-116.8116173.9-62.70000109.6F12 C74C10-F12 HydrophobicContact CB-CD2 4.24Å; C10-F12 HydrophobicContact CB-CE2 3.38Å; C10-F12 HydrophobicContact CB-CZ 3.61Å; C10-F12 WeakPolarHBondContact O-CD2 3.26Å; C10-C74 HydrophobicContact CB-CB 3.64Å; C10-C74 WeakPolarHBondContact CB-SG 3.49Å; C10-C74 WeakPolarHBondContact SG-CA 3.38Å; C10-C74 WeakPolarHBondContact SG-CB 3.03Å; C10-C74 CovalentContact SG-SG 2.03Å; C10-C74 PolarHBondContact SG-SG 2.88Å
11H97.3Very high95.3Very high67 Ų6783.3 Ų83.331%0.3140%0.4SS..EExtended strand (participates in β ladder)trans-103.9113.2-179.4-70-140.6000108.7E9 F13 V19 R20E9-H11 IonicContact OE2-CE1 3.8Å; E9-H11 IonicContact OE2-NE2 3.22Å; E9-H11 PolarHBondContact OE2-NE2 3.22Å; H11-F13 HydrophobicContact CB-CE2 4.14Å; H11-F13 HydrophobicContact CB-CZ 4.4Å; H11-V19 WeakPolarHBondContact O-CA 3.37Å; H11-R20 HydrophobicContact CB-CB 4.33Å; H11-R20 PolarHBondContact N-O 2.92Å; H11-R20 PolarHBondContact O-N 3.29Å
12F95.7Very high96Very high70 Ų7070.4 Ų70.431%0.30735%0.352SS..EExtended strand (participates in β ladder)trans-103.8131-173.5-64.2-85.3000111C10 G15 T16 V19 C74 Y78C10-F12 HydrophobicContact CB-CD2 4.24Å; C10-F12 HydrophobicContact CB-CE2 3.38Å; C10-F12 HydrophobicContact CB-CZ 3.61Å; C10-F12 WeakPolarHBondContact O-CD2 3.26Å; F12-G15 WeakPolarHBondContact CB-O 3.39Å; F12-T16 HydrophobicContact CD1-CG2 4.3Å; F12-T16 HydrophobicContact CE1-CG2 4.38Å; F12-V19 HydrophobicContact CD1-CB 4.46Å; F12-V19 HydrophobicContact CD1-CG1 4.02Å; F12-V19 HydrophobicContact CD1-CG2 3.71Å; F12-V19 HydrophobicContact CE1-CG1 3.82Å; F12-V19 HydrophobicContact CE1-CG2 3.97Å; F12-V19 HydrophobicContact CZ-CG1 4.45Å; F12-C74 HydrophobicContact CE1-CB 4.26Å; F12-C74 HydrophobicContact CZ-CB 3.99Å; F12-C74 WeakPolarHBondContact CZ-O 3.45Å; F12-Y78 AromaticContact CD1-CD2 3.74Å; F12-Y78 HydrophobicContact CD1-CD2 3.74Å; F12-Y78 HydrophobicContact CD1-CE2 4.25Å; F12-Y78 HydrophobicContact CD1-CG 4.35Å; F12-Y78 HydrophobicContact CD2-CD2 4.16Å; F12-Y78 AromaticContact CE1-CD2 3.65Å; F12-Y78 HydrophobicContact CE1-CD2 3.65Å; F12-Y78 AromaticContact CE1-CG 3.98Å; F12-Y78 HydrophobicContact CE1-CG 3.98Å; F12-Y78 HydrophobicContact CE2-CD2 4.05Å; F12-Y78 HydrophobicContact CG-CD2 4.02Å; F12-Y78 HydrophobicContact CG-CE2 4.26Å; F12-Y78 AromaticContact CZ-CD2 3.81Å; F12-Y78 HydrophobicContact CZ-CD2 3.81Å; F12-Y78 HydrophobicContact CZ-CG 4.28Å
13F94.2Very high96.3Very high100 Ų10064.5 Ų64.544%0.43933%0.327SS..EExtended strand (participates in β ladder)trans-123.3127.3176.3-54.9-88.8000109.4H11 R18H11-F13 HydrophobicContact CB-CE2 4.14Å; H11-F13 HydrophobicContact CB-CZ 4.4Å; F13-R18 HydrophobicContact CB-CB 4.25Å; F13-R18 HydrophobicContact CD2-CB 4.49Å; F13-R18 HydrophobicContact CD2-CG 4.23Å; F13-R18 PolarHBondContact N-O 3.46Å; F13-R18 PolarHBondContact O-N 2.85Å
14N91.9Very high96.4Very high141 Ų14164 Ų6475%0.75432%0.32SS*.THydrogen-bonded Turntrans50.556.8-175.2-61.2-20.2000112.3T16 E17N14-T16 PolarHBondContact O-N 3.07Å; N14-E17 HydrophobicContact CB-CB 4.38Å; N14-E17 WeakPolarHBondContact CB-OE2 3.31Å
15G88.4Confident96.5Very high33 Ų3362.5 Ų62.534%0.3431%0.311SS..THydrogen-bonded Turntrans70.9-126.2-171.800000110.5F12F12-G15 WeakPolarHBondContact CB-O 3.39Å
16T94.1Very high96.6Very high58 Ų5859 Ų5936%0.35630%0.298SS..THydrogen-bonded Turntrans-104.111.6-179.460.20000113.9F12 N14 R75 Y78F12-T16 HydrophobicContact CD1-CG2 4.3Å; F12-T16 HydrophobicContact CE1-CG2 4.38Å; N14-T16 PolarHBondContact O-N 3.07Å; T16-R75 HydrophobicContact CG2-CG 4.47Å; T16-R75 PolarHBondContact O-NE 3.28Å; T16-Y78 HydrophobicContact CG2-CD1 3.47Å; T16-Y78 VanDerWaalsContact CG2-CD1 3.47Å; T16-Y78 HydrophobicContact CG2-CD2 4.36Å; T16-Y78 HydrophobicContact CG2-CE1 3.9Å; T16-Y78 HydrophobicContact CG2-CG 3.73Å
17E92.8Very high96.5Very high149 Ų14958.8 Ų58.870%0.69629%0.29SS*.THydrogen-bonded Turntrans-58.4-52.1179.3-175.2-176.1-178.500110.5N14N14-E17 HydrophobicContact CB-CB 4.38Å; N14-E17 WeakPolarHBondContact CB-OE2 3.31Å
18R96.6Very high96.4Very high139 Ų13960.3 Ų60.353%0.52530%0.296SS..EExtended strand (participates in β ladder)trans-121.9126.9170.2-178.2179.7178.9-175.1-1.3109.8F13 D38F13-R18 HydrophobicContact CB-CB 4.25Å; F13-R18 HydrophobicContact CD2-CB 4.49Å; F13-R18 HydrophobicContact CD2-CG 4.23Å; F13-R18 PolarHBondContact N-O 3.46Å; F13-R18 PolarHBondContact O-N 2.85Å; R18-D38 IonicContact NH2-OD2 2.99Å; R18-D38 PolarHBondContact NH2-OD2 2.85Å
19V98.1Very high96.3Very high8 Ų864.9 Ų64.95%0.04831%0.311CS..EExtended strand (participates in β ladder)trans-129.6131.1-180-175.30000108H11 F12 V70 C74 R75H11-V19 WeakPolarHBondContact O-CA 3.37Å; F12-V19 HydrophobicContact CD1-CB 4.46Å; F12-V19 HydrophobicContact CD1-CG1 4.02Å; F12-V19 HydrophobicContact CD1-CG2 3.71Å; F12-V19 HydrophobicContact CE1-CG1 3.82Å; F12-V19 HydrophobicContact CE1-CG2 3.97Å; F12-V19 HydrophobicContact CZ-CG1 4.45Å; V19-V70 HydrophobicContact CB-CG1 3.82Å; V19-V70 HydrophobicContact CG1-CG1 3.99Å; V19-C74 HydrophobicContact CG1-CB 3.56Å; V19-R75 HydrophobicContact CG2-CG 3.95Å
20R98.3Very high96.3Very high71 Ų7168.3 Ų68.327%0.26833%0.327SS..EExtended strand (participates in β ladder)trans-116.3129.6172.9179.9178.1176.5-155.33.9109.2H11 L22 D36 S37H11-R20 HydrophobicContact CB-CB 4.33Å; H11-R20 PolarHBondContact N-O 2.92Å; H11-R20 PolarHBondContact O-N 3.29Å; R20-L22 HydrophobicContact CG-CG 4.49Å; R20-D36 IonicContact CZ-OD1 3.4Å; R20-D36 IonicContact CZ-OD2 2.64Å; R20-D36 IonicContact NE-OD1 3.68Å; R20-D36 PolarHBondContact NE-OD1 3.32Å; R20-D36 IonicContact NE-OD2 3.53Å; R20-D36 PolarHBondContact NE-OD2 3.43Å; R20-D36 IonicContact NH2-OD1 3.4Å; R20-D36 IonicContact NH2-OD2 3.03Å; R20-D36 PolarHBondContact NH2-OD2 2.98Å; R20-S37 WeakPolarHBondContact CA-OG 3.41Å
21F98.7Very high96.3Very high8 Ų867.8 Ų67.84%0.03532%0.321CS..EExtended strand (participates in β ladder)trans-104.8133.8175.4176.2-110.3000109.8E9 D23 F35 S37 E66 A69 V70 Y73 C74E9-F21 WeakPolarHBondContact O-CA 3.24Å; E9-F21 WeakPolarHBondContact O-CD2 3.37Å; F21-D23 HydrophobicContact CE1-CB 3.91Å; F21-D23 HydrophobicContact CZ-CB 3.92Å; F21-F35 HydrophobicContact CD1-CD1 4.05Å; F21-F35 HydrophobicContact CD1-CE1 4.18Å; F21-F35 HydrophobicContact CE1-CD1 4.27Å; F21-S37 PolarHBondContact N-OG 2.99Å; F21-S37 PolarHBondContact O-N 2.91Å; F21-S37 PolarHBondContact O-OG 3Å; F21-E66 VanDerWaalsContact CE1-OE2 3.31Å; F21-E66 WeakPolarHBondContact CE1-OE2 3.41Å; F21-A69 HydrophobicContact CD1-CB 3.57Å; F21-A69 HydrophobicContact CD2-CB 4.42Å; F21-A69 HydrophobicContact CE1-CB 3.52Å; F21-A69 HydrophobicContact CE2-CB 4.36Å; F21-A69 HydrophobicContact CG-CB 4.02Å; F21-A69 HydrophobicContact CZ-CB 3.93Å; F21-V70 HydrophobicContact CB-CG2 3.93Å; F21-Y73 HydrophobicContact CD2-CD1 4.35Å; F21-Y73 AromaticContact CE2-CD1 3.94Å; F21-Y73 HydrophobicContact CE2-CD1 3.94Å; F21-Y73 HydrophobicContact CE2-CE1 4.29Å; F21-C74 VanDerWaalsContact CD2-SG 3.5Å
22L98.6Very high96.3Very high11 Ų1165 Ų656%0.05831%0.308CS..EExtended strand (participates in β ladder)trans-126.6125.5176.1-64.1168000108.7S8 E9 R20 R24 F35 D36S8-L22 CarbonylContact C-O 3.55Å; S8-L22 WeakPolarHBondContact CA-O 3.43Å; E9-L22 HydrophobicContact CB-CB 4.31Å; E9-L22 PolarHBondContact N-O 3.41Å; E9-L22 PolarHBondContact O-N 3.42Å; R20-L22 HydrophobicContact CG-CG 4.49Å; L22-R24 HydrophobicContact CB-CG 4.3Å; L22-F35 WeakPolarHBondContact CA-O 3.44Å; L22-D36 HydrophobicContact CD2-CB 3.84Å
23D98.5Very high96.5Very high7 Ų761.6 Ų61.64%0.03729%0.294CS..EExtended strand (participates in β ladder)trans-115.9116.7168.5-16444.4000108.6T7 S8 F21 Y25 R34 F35T7-D23 WeakPolarHBondContact O-CA 3.48Å; S8-D23 PolarHBondContact OG-OD1 3.47Å; F21-D23 HydrophobicContact CE1-CB 3.91Å; F21-D23 HydrophobicContact CZ-CB 3.92Å; D23-Y25 WeakPolarHBondContact OD2-CE2 3.26Å; D23-Y25 PolarHBondContact OD2-OH 3.27Å; D23-R34 CarbonylContact O-C 3.58Å; D23-R34 VanDerWaalsContact O-CA 3.29Å; D23-R34 WeakPolarHBondContact O-CA 3.3Å; D23-F35 HydrophobicContact CB-CB 4.2Å; D23-F35 PolarHBondContact N-O 3.29Å; D23-F35 VanDerWaalsContact N-O 3.07Å; D23-F35 PolarHBondContact O-N 3.34Å
24R98.6Very high96.7Very high57 Ų5760.6 Ų60.622%0.21529%0.287CS..EExtended strand (participates in β ladder)trans-126.3136.9-166.1-58.9172.568.7-153.2-0.1110.1S6 T7 E9 L22 F26 E31 R34S6-R24 CarbonylContact C-O 3.55Å; S6-R24 WeakPolarHBondContact CA-O 3.49Å; S6-R24 VanDerWaalsContact CB-O 3.24Å; S6-R24 WeakPolarHBondContact CB-O 3.47Å; T7-R24 PolarHBondContact N-O 3.04Å; T7-R24 PolarHBondContact O-N 3.49Å; E9-R24 WeakPolarHBondContact OE1-CD 3.33Å; E9-R24 IonicContact OE1-NH1 3.58Å; E9-R24 PolarHBondContact OE1-NH1 2.66Å; E9-R24 VanDerWaalsContact OE1-NH1 3.14Å; L22-R24 HydrophobicContact CB-CG 4.3Å; R24-F26 HydrophobicContact CB-CD2 4.5Å; R24-F26 HydrophobicContact CB-CE2 3.63Å; R24-F26 HydrophobicContact CB-CZ 4.03Å; R24-E31 IonicContact CZ-OE1 3.89Å; R24-E31 IonicContact CZ-OE2 2.83Å; R24-E31 VanDerWaalsContact NE-CD 3.27Å; R24-E31 IonicContact NE-OE1 3.66Å; R24-E31 PolarHBondContact NE-OE1 3.17Å; R24-E31 IonicContact NE-OE2 2.71Å; R24-E31 PolarHBondContact NE-OE2 2.78Å; R24-E31 VanDerWaalsContact NH2-CD 3.33Å; R24-E31 IonicContact NH2-OE1 3.14Å; R24-E31 IonicContact NH2-OE2 3.68Å; R24-E31 PolarHBondContact NH2-OE2 3.04Å; R24-R34 HydrophobicContact CG-CB 4.36Å; R24-R34 HydrophobicContact CG-CG 3.97Å
25Y98.4Very high97Very high56 Ų5653.9 Ų53.922%0.2225%0.251CS..EExtended strand (participates in β ladder)trans-115.8138.2-178-64-98.1000109.6D23 E31 N32 V33 F42 W56D23-Y25 WeakPolarHBondContact OD2-CE2 3.26Å; D23-Y25 PolarHBondContact OD2-OH 3.27Å; Y25-E31 CarbonylContact O-C 3.42Å; Y25-E31 VanDerWaalsContact O-CA 3.3Å; Y25-E31 WeakPolarHBondContact O-CA 3.36Å; Y25-N32 WeakPolarHBondContact CB-OD1 3.24Å; Y25-N32 PolarHBondContact O-N 2.63Å; Y25-N32 PolarHBondContact O-OD1 3.48Å; Y25-V33 HydrophobicContact CD2-CB 4.39Å; Y25-V33 PolarHBondContact N-O 2.89Å; Y25-F42 HydrophobicContact CE2-CE1 4.06Å; Y25-W56 AromaticContact CD1-CH2 3.81Å; Y25-W56 HydrophobicContact CD1-CH2 3.81Å; Y25-W56 HydrophobicContact CD1-CZ3 4.49Å; Y25-W56 AromaticContact CD2-CH2 3.93Å; Y25-W56 HydrophobicContact CD2-CH2 3.93Å; Y25-W56 AromaticContact CD2-CZ3 3.77Å; Y25-W56 HydrophobicContact CD2-CZ3 3.77Å; Y25-W56 AromaticContact CE1-CH2 3.73Å; Y25-W56 HydrophobicContact CE1-CH2 3.73Å; Y25-W56 HydrophobicContact CE1-CZ2 4.39Å; Y25-W56 HydrophobicContact CE1-CZ3 4.42Å; Y25-W56 AromaticContact CE2-CH2 3.9Å; Y25-W56 HydrophobicContact CE2-CH2 3.9Å; Y25-W56 AromaticContact CE2-CZ3 3.74Å; Y25-W56 HydrophobicContact CE2-CZ3 3.74Å; Y25-W56 AromaticContact CG-CH2 3.92Å; Y25-W56 HydrophobicContact CG-CH2 3.92Å; Y25-W56 HydrophobicContact CG-CZ3 4.19Å; Y25-W56 AromaticContact CZ-CH2 3.8Å
26F98.3Very high97.5Very high14 Ų1453 Ų536%0.06124%0.239CC..EExtended strand (participates in β ladder)trans-131.5124-172.5-61.6-97.4000111.7E4 Y5 T7 R24 E30 E31E4-F26 WeakPolarHBondContact CA-O 3.41Å; Y5-F26 HydrophobicContact CD1-CB 3.79Å; Y5-F26 HydrophobicContact CD2-CB 4.27Å; Y5-F26 AromaticContact CD2-CD2 3.76Å; Y5-F26 HydrophobicContact CD2-CD2 3.76Å; Y5-F26 HydrophobicContact CD2-CE2 4.41Å; Y5-F26 HydrophobicContact CD2-CG 4.23Å; Y5-F26 HydrophobicContact CE1-CB 3.44Å; Y5-F26 VanDerWaalsContact CE1-CB 3.44Å; Y5-F26 HydrophobicContact CE1-CD2 4.42Å; Y5-F26 AromaticContact CE1-CG 3.92Å; Y5-F26 HydrophobicContact CE1-CG 3.92Å; Y5-F26 HydrophobicContact CE2-CB 3.92Å; Y5-F26 HydrophobicContact CE2-CD1 4.24Å; Y5-F26 AromaticContact CE2-CD2 3.3Å; Y5-F26 HydrophobicContact CE2-CD2 3.3Å; Y5-F26 AromaticContact CE2-CE2 3.75Å; Y5-F26 HydrophobicContact CE2-CE2 3.75Å; Y5-F26 AromaticContact CE2-CG 3.57Å; Y5-F26 HydrophobicContact CE2-CG 3.57Å; Y5-F26 HydrophobicContact CE2-CZ 4.36Å; Y5-F26 HydrophobicContact CG-CB 4.2Å; Y5-F26 HydrophobicContact CG-CD2 4.47Å; Y5-F26 VanDerWaalsContact CZ-CB 3.49Å; Y5-F26 AromaticContact CZ-CD1 3.82Å; Y5-F26 AromaticContact CZ-CD2 3.68Å; Y5-F26 AromaticContact CZ-CG 3.39Å; Y5-F26 PolarHBondContact N-O 3.32Å; Y5-F26 PolarHBondContact O-N 3.08Å; Y5-F26 WeakPolarHBondContact OH-CD1 3.41Å; Y5-F26 WeakPolarHBondContact OH-CG 3.39Å; T7-F26 HydrophobicContact CG2-CE2 3.97Å; R24-F26 HydrophobicContact CB-CD2 4.5Å; R24-F26 HydrophobicContact CB-CE2 3.63Å; R24-F26 HydrophobicContact CB-CZ 4.03Å; F26-E30 CarbonylContact C-O 3.52Å; F26-E30 VanDerWaalsContact CA-O 3.3Å; F26-E30 WeakPolarHBondContact CA-O 3.26Å; F26-E31 HydrophobicContact CD1-CB 3.86Å; F26-E31 HydrophobicContact CE1-CB 3.73Å; F26-E31 HydrophobicContact CE1-CG 4.29Å; F26-E31 HydrophobicContact CZ-CB 4.45Å
27H96.8Very high97.7Very high58 Ų5851.5 Ų51.527%0.26923%0.231SC..EExtended strand (participates in β ladder)trans-107.4114.7172.5-169.183.8000109.6F2 E4 Q29 E30 L48F2-H27 AromaticContact CE2-CE1 3.23Å; F2-H27 WeakPolarHBondContact CE2-CE1 3.41Å; F2-H27 AromaticContact CE2-ND1 3.51Å; F2-H27 AromaticContact CE2-NE2 3.99Å; E4-H27 IonicContact OE2-CE1 3.71Å; E4-H27 IonicContact OE2-CG 2.82Å; E4-H27 IonicContact OE2-ND1 3.41Å; E4-H27 PolarHBondContact OE2-ND1 3.02Å; H27-Q29 VanDerWaalsContact C-N 3.3Å; H27-Q29 PolarHBondContact O-N 3.3Å; H27-E30 PolarHBondContact N-O 2.91Å; H27-E30 PolarHBondContact O-N 2.86Å; H27-L48 HydrophobicContact CB-CD2 3.99Å
28N96Very high98Very high72 Ų7248.5 Ų48.539%0.38522%0.219SC..THydrogen-bonded Turntrans50.945.3-177.6-61.7-49.9000113.8F2 L3 E30F2-N28 WeakPolarHBondContact CA-OD1 3.48Å; L3-N28 PolarHBondContact N-OD1 3.46Å; L3-N28 WeakPolarHBondContact O-CA 3.23Å; L3-N28 PolarHBondContact O-N 2.88Å; N28-E30 PolarHBondContact O-N 2.84Å
29Q95.4Very high98.1Very high154 Ų15445.7 Ų45.772%0.7222%0.217SC*.THydrogen-bonded Turntrans72.4-0.3-178.7-49.1168.841.400115.1L3 H27L3-Q29 HydrophobicContact CD2-CG 4.06Å; H27-Q29 VanDerWaalsContact C-N 3.3Å; H27-Q29 PolarHBondContact O-N 3.3Å
30E97.6Very high98.1Very high125 Ų12545.8 Ų45.858%0.58422%0.22SC*.EExtended strand (participates in β ladder)trans-98.3126.6172.6-172.1173.4-170.900109.8F26 H27 N28 N32 T46F26-E30 CarbonylContact C-O 3.52Å; F26-E30 VanDerWaalsContact CA-O 3.3Å; F26-E30 WeakPolarHBondContact CA-O 3.26Å; H27-E30 PolarHBondContact N-O 2.91Å; H27-E30 PolarHBondContact O-N 2.86Å; N28-E30 PolarHBondContact O-N 2.84Å; E30-N32 PolarHBondContact O-N 3.1Å; E30-T46 HydrophobicContact CG-CG2 4.05Å; E30-T46 WeakPolarHBondContact OE1-CG2 3.35Å
31E98.3Very high98.1Very high25 Ų2545 Ų4512%0.11722%0.219CC..EExtended strand (participates in β ladder)trans-67.4122.8175.1-175.2-179.3-16900109.2R24 Y25 F26 R34 V45 T46R24-E31 IonicContact CZ-OE1 3.89Å; R24-E31 IonicContact CZ-OE2 2.83Å; R24-E31 VanDerWaalsContact NE-CD 3.27Å; R24-E31 IonicContact NE-OE1 3.66Å; R24-E31 PolarHBondContact NE-OE1 3.17Å; R24-E31 IonicContact NE-OE2 2.71Å; R24-E31 PolarHBondContact NE-OE2 2.78Å; R24-E31 VanDerWaalsContact NH2-CD 3.33Å; R24-E31 IonicContact NH2-OE1 3.14Å; R24-E31 IonicContact NH2-OE2 3.68Å; R24-E31 PolarHBondContact NH2-OE2 3.04Å; Y25-E31 CarbonylContact O-C 3.42Å; Y25-E31 VanDerWaalsContact O-CA 3.3Å; Y25-E31 WeakPolarHBondContact O-CA 3.36Å; F26-E31 HydrophobicContact CD1-CB 3.86Å; F26-E31 HydrophobicContact CE1-CB 3.73Å; F26-E31 HydrophobicContact CE1-CG 4.29Å; F26-E31 HydrophobicContact CZ-CB 4.45Å; E31-R34 WeakPolarHBondContact OE1-CB 3.04Å; E31-R34 WeakPolarHBondContact OE1-CD 3.3Å; E31-R34 IonicContact OE1-CZ 2.83Å; E31-R34 IonicContact OE1-NE 2.6Å; E31-R34 IonicContact OE1-NH1 2.77Å; E31-R34 PolarHBondContact OE1-NH1 3.38Å; E31-R34 IonicContact OE2-NH1 3.02Å; E31-R34 PolarHBondContact OE2-NH1 3.05Å; E31-V45 HydrophobicContact CB-CG1 4.41Å; E31-V45 HydrophobicContact CG-CB 4.28Å; E31-V45 HydrophobicContact CG-CG1 4.42Å; E31-V45 HydrophobicContact CG-CG2 3.91Å; E31-V45 WeakPolarHBondContact O-CB 3.38Å; E31-V45 WeakPolarHBondContact O-CG1 3.31Å; E31-T46 WeakPolarHBondContact O-CG2 3.13Å
32N98.1Very high98.1Very high8 Ų844.7 Ų44.74%0.04322%0.218CC..EExtended strand (participates in β ladder)trans-107.8-32.4-178.761.8-5.6000112.8Y25 E30 A44 V45 T46Y25-N32 WeakPolarHBondContact CB-OD1 3.24Å; Y25-N32 PolarHBondContact O-N 2.63Å; Y25-N32 PolarHBondContact O-OD1 3.48Å; E30-N32 PolarHBondContact O-N 3.1Å; N32-A44 WeakPolarHBondContact O-CA 3.35Å; N32-V45 PolarHBondContact O-N 2.83Å; N32-T46 WeakPolarHBondContact CB-OG1 3.49Å; N32-T46 PolarHBondContact O-N 3.13Å
33V98.7Very high98.1Very high0 Ų051.1 Ų51.10%024%0.242CC..EExtended strand (participates in β ladder)trans-141.6147178.8-171.30000110.6Y25 F42 G49 D52 A53 W56Y25-V33 HydrophobicContact CD2-CB 4.39Å; Y25-V33 PolarHBondContact N-O 2.89Å; V33-F42 HydrophobicContact CG1-CB 4.25Å; V33-F42 HydrophobicContact CG1-CD1 4.04Å; V33-G49 VanDerWaalsContact CG2-O 3.31Å; V33-G49 WeakPolarHBondContact CG2-O 3.39Å; V33-D52 HydrophobicContact CG2-CB 4.02Å; V33-A53 HydrophobicContact CG1-CB 4.15Å; V33-W56 HydrophobicContact CB-CZ3 4Å; V33-W56 HydrophobicContact CG1-CE3 3.93Å; V33-W56 HydrophobicContact CG1-CZ3 3.56Å; V33-W56 HydrophobicContact CG2-CZ3 4.41Å
34R98.7Very high98.1Very high78 Ų7852.8 Ų52.829%0.29426%0.256SS..EExtended strand (participates in β ladder)trans-143.9136174.5170.5172.258.6-138.54.8112.7D23 R24 E31 F42 R43 V45D23-R34 CarbonylContact O-C 3.58Å; D23-R34 VanDerWaalsContact O-CA 3.29Å; D23-R34 WeakPolarHBondContact O-CA 3.3Å; R24-R34 HydrophobicContact CG-CB 4.36Å; R24-R34 HydrophobicContact CG-CG 3.97Å; E31-R34 WeakPolarHBondContact OE1-CB 3.04Å; E31-R34 WeakPolarHBondContact OE1-CD 3.3Å; E31-R34 IonicContact OE1-CZ 2.83Å; E31-R34 IonicContact OE1-NE 2.6Å; E31-R34 IonicContact OE1-NH1 2.77Å; E31-R34 PolarHBondContact OE1-NH1 3.38Å; E31-R34 IonicContact OE2-NH1 3.02Å; E31-R34 PolarHBondContact OE2-NH1 3.05Å; R34-F42 CarbonylContact O-C 3.5Å; R34-F42 WeakPolarHBondContact O-CA 3.43Å; R34-R43 PolarHBondContact N-O 3.31Å; R34-R43 PolarHBondContact O-N 3.2Å; R34-V45 HydrophobicContact CB-CG2 4.25Å
35F98.8Very high98.1Very high0 Ų053.2 Ų53.20%027%0.265CS..EExtended strand (participates in β ladder)trans-90.9137.8154.8-176.5-93.1000110.2F21 L22 D23 G40 F42 L63 E66 R67F21-F35 HydrophobicContact CD1-CD1 4.05Å; F21-F35 HydrophobicContact CD1-CE1 4.18Å; F21-F35 HydrophobicContact CE1-CD1 4.27Å; L22-F35 WeakPolarHBondContact CA-O 3.44Å; D23-F35 HydrophobicContact CB-CB 4.2Å; D23-F35 PolarHBondContact N-O 3.29Å; D23-F35 VanDerWaalsContact N-O 3.07Å; D23-F35 PolarHBondContact O-N 3.34Å; F35-G40 VanDerWaalsContact CE2-C 3.44Å; F35-F42 HydrophobicContact CB-CD1 3.7Å; F35-F42 HydrophobicContact CB-CE1 3.63Å; F35-F42 HydrophobicContact CB-CE2 4.49Å; F35-F42 HydrophobicContact CB-CG 4.21Å; F35-F42 HydrophobicContact CB-CZ 4.06Å; F35-F42 HydrophobicContact CD2-CD2 4.06Å; F35-F42 HydrophobicContact CD2-CE2 4.09Å; F35-F42 HydrophobicContact CD2-CG 4.35Å; F35-F42 HydrophobicContact CD2-CZ 4.42Å; F35-L63 HydrophobicContact CD2-CD1 4.44Å; F35-L63 HydrophobicContact CE2-CD1 3.93Å; F35-E66 HydrophobicContact CD1-CB 4.02Å; F35-E66 HydrophobicContact CD2-CB 3.82Å; F35-E66 HydrophobicContact CD2-CG 4.43Å; F35-E66 HydrophobicContact CE1-CB 3.86Å; F35-E66 WeakPolarHBondContact CE1-O 3.45Å; F35-E66 HydrophobicContact CE2-CB 3.65Å; F35-E66 HydrophobicContact CG-CB 4.01Å; F35-E66 HydrophobicContact CZ-CB 3.68Å; F35-R67 HydrophobicContact CE2-CG 4.32Å; F35-R67 HydrophobicContact CZ-CG 3.9Å
36D98.6Very high98Very high16 Ų1652.1 Ų52.19%0.08626%0.264CS..EExtended strand (participates in β ladder)trans-132.5120.8175.3-176.9-10.2000108.8R20 L22 D38 V39 G40R20-D36 IonicContact CZ-OD1 3.4Å; R20-D36 IonicContact CZ-OD2 2.64Å; R20-D36 IonicContact NE-OD1 3.68Å; R20-D36 PolarHBondContact NE-OD1 3.32Å; R20-D36 IonicContact NE-OD2 3.53Å; R20-D36 PolarHBondContact NE-OD2 3.43Å; R20-D36 IonicContact NH2-OD1 3.4Å; R20-D36 IonicContact NH2-OD2 3.03Å; R20-D36 PolarHBondContact NH2-OD2 2.98Å; L22-D36 HydrophobicContact CD2-CB 3.84Å; D36-D38 PolarHBondContact O-N 3.34Å; D36-D38 PolarHBondContact OD1-N 2.79Å; D36-V39 HydrophobicContact CB-CB 4.27Å; D36-V39 HydrophobicContact CB-CG2 4Å; D36-V39 CarbonylContact O-C 3.56Å; D36-V39 WeakPolarHBondContact O-CA 3.43Å; D36-V39 PolarHBondContact O-N 2.92Å; D36-G40 PolarHBondContact O-N 3.44Å
37S98.5Very high98Very high26 Ų2657.8 Ų57.818%0.18229%0.291CS..THydrogen-bonded Turntrans-61.3-26.8-177.765.10000113.6R20 F21 V39R20-S37 WeakPolarHBondContact CA-OG 3.41Å; F21-S37 PolarHBondContact N-OG 2.99Å; F21-S37 PolarHBondContact O-N 2.91Å; F21-S37 PolarHBondContact O-OG 3Å; S37-V39 PolarHBondContact O-N 3.03Å
38D97.9Very high98Very high85 Ų8559.6 Ų59.646%0.45530%0.302SS..THydrogen-bonded Turntrans-71.5-21.1176.2-77.58.5000111.4R18 D36R18-D38 IonicContact NH2-OD2 2.99Å; R18-D38 PolarHBondContact NH2-OD2 2.85Å; D36-D38 PolarHBondContact O-N 3.34Å; D36-D38 PolarHBondContact OD1-N 2.79Å
39V98.3Very high98.1Very high81 Ų8156.2 Ų56.249%0.49128%0.284SS..THydrogen-bonded Turntrans-98.3-38.7175.9-174.40000111.2D36 S37 E41D36-V39 HydrophobicContact CB-CB 4.27Å; D36-V39 HydrophobicContact CB-CG2 4Å; D36-V39 CarbonylContact O-C 3.56Å; D36-V39 WeakPolarHBondContact O-CA 3.43Å; D36-V39 PolarHBondContact O-N 2.92Å; S37-V39 PolarHBondContact O-N 3.03Å; V39-E41 HydrophobicContact CG1-CG 3.98Å
40G98.2Very high98.3Very high10 Ų1054.4 Ų54.410%0.10327%0.27CS..THydrogen-bonded Turntrans81.320.3177.500000114.9F35 D36 L63 R67F35-G40 VanDerWaalsContact CE2-C 3.44Å; D36-G40 PolarHBondContact O-N 3.44Å; G40-L63 WeakPolarHBondContact O-CD1 3.31Å; G40-R67 VanDerWaalsContact O-CZ 3.25Å; G40-R67 PolarHBondContact O-NE 3.31Å; G40-R67 PolarHBondContact O-NH2 3.43Å
41E98.6Very high98.3Very high54 Ų5452.4 Ų52.425%0.25227%0.268SS..EExtended strand (participates in β ladder)trans-158.9163.8175.660.9179.7-157.900112.8V39 R43 N57 L63V39-E41 HydrophobicContact CG1-CG 3.98Å; E41-R43 IonicContact OE1-CZ 2.85Å; E41-R43 IonicContact OE1-NE 2.79Å; E41-R43 PolarHBondContact OE1-NE 2.79Å; E41-R43 IonicContact OE1-NH2 3.48Å; E41-R43 PolarHBondContact OE1-NH2 2.81Å; E41-N57 WeakPolarHBondContact CB-OD1 3.36Å; E41-L63 HydrophobicContact CB-CD1 4.1Å
42F98.7Very high98.3Very high2 Ų254.3 Ų54.31%0.00928%0.279CS..EExtended strand (participates in β ladder)trans-74.1135.9175.5-68.8-89.7000110.7Y25 V33 R34 F35 A53 W56 N57 I62 L63 E66Y25-F42 HydrophobicContact CE2-CE1 4.06Å; V33-F42 HydrophobicContact CG1-CB 4.25Å; V33-F42 HydrophobicContact CG1-CD1 4.04Å; R34-F42 CarbonylContact O-C 3.5Å; R34-F42 WeakPolarHBondContact O-CA 3.43Å; F35-F42 HydrophobicContact CB-CD1 3.7Å; F35-F42 HydrophobicContact CB-CE1 3.63Å; F35-F42 HydrophobicContact CB-CE2 4.49Å; F35-F42 HydrophobicContact CB-CG 4.21Å; F35-F42 HydrophobicContact CB-CZ 4.06Å; F35-F42 HydrophobicContact CD2-CD2 4.06Å; F35-F42 HydrophobicContact CD2-CE2 4.09Å; F35-F42 HydrophobicContact CD2-CG 4.35Å; F35-F42 HydrophobicContact CD2-CZ 4.42Å; F42-A53 HydrophobicContact CB-CB 4.25Å; F42-W56 HydrophobicContact CB-CE3 4.44Å; F42-W56 HydrophobicContact CD1-CD2 4.4Å; F42-W56 AromaticContact CD1-CE3 3.39Å; F42-W56 HydrophobicContact CD1-CE3 3.39Å; F42-W56 AromaticContact CD1-CZ3 3.89Å; F42-W56 HydrophobicContact CD1-CZ3 3.89Å; F42-W56 HydrophobicContact CD2-CB 3.63Å; F42-W56 HydrophobicContact CD2-CE3 4.4Å; F42-W56 HydrophobicContact CE1-CD2 4.31Å; F42-W56 AromaticContact CE1-CE3 3.52Å; F42-W56 HydrophobicContact CE1-CE3 3.52Å; F42-W56 AromaticContact CE1-CZ3 3.92Å; F42-W56 HydrophobicContact CE1-CZ3 3.92Å; F42-W56 HydrophobicContact CE2-CB 3.82Å; F42-W56 HydrophobicContact CG-CB 4.08Å; F42-W56 AromaticContact CG-CE3 3.84Å; F42-W56 HydrophobicContact CG-CE3 3.84Å; F42-W56 HydrophobicContact CZ-CB 4.39Å; F42-W56 HydrophobicContact CZ-CD2 4.47Å; F42-W56 HydrophobicContact CZ-CE3 4.1Å; F42-N57 PolarHBondContact N-OD1 3.42Å; F42-N57 PolarHBondContact O-ND2 2.77Å; F42-I62 HydrophobicContact CE2-CG2 4.13Å; F42-I62 HydrophobicContact CZ-CG2 4.42Å; F42-L63 HydrophobicContact CD2-CD1 4.44Å; F42-E66 HydrophobicContact CE2-CG 3.8Å; F42-E66 HydrophobicContact CZ-CG 3.61Å
43R98.7Very high98.3Very high146 Ų14654.3 Ų54.355%0.55128%0.28SS*.EExtended strand (participates in β ladder)trans-127.6129.8174.9-69.3-65.1-175.6143-4.4109.6R34 E41 V45R34-R43 PolarHBondContact N-O 3.31Å; R34-R43 PolarHBondContact O-N 3.2Å; E41-R43 IonicContact OE1-CZ 2.85Å; E41-R43 IonicContact OE1-NE 2.79Å; E41-R43 PolarHBondContact OE1-NE 2.79Å; E41-R43 IonicContact OE1-NH2 3.48Å; E41-R43 PolarHBondContact OE1-NH2 2.81Å; R43-V45 PolarHBondContact O-N 2.75Å
44A98.4Very high98.3Very high42 Ų4260.2 Ų60.235%0.34731%0.308SS..EExtended strand (participates in β ladder)trans-66.1128.3168.900000109.4N32 R50 A53N32-A44 WeakPolarHBondContact O-CA 3.35Å; A44-R50 HydrophobicContact CB-CB 4.27Å; A44-A53 HydrophobicContact CB-CB 4.18Å
45V98.3Very high98.3Very high66 Ų6662.8 Ų62.840%0.432%0.318SS..SBendtrans-89.9-31.6173.8179.10000110E31 N32 R34 R43E31-V45 HydrophobicContact CB-CG1 4.41Å; E31-V45 HydrophobicContact CG-CB 4.28Å; E31-V45 HydrophobicContact CG-CG1 4.42Å; E31-V45 HydrophobicContact CG-CG2 3.91Å; E31-V45 WeakPolarHBondContact O-CB 3.38Å; E31-V45 WeakPolarHBondContact O-CG1 3.31Å; N32-V45 PolarHBondContact O-N 2.83Å; R34-V45 HydrophobicContact CB-CG2 4.25Å; R43-V45 PolarHBondContact O-N 2.75Å
46T98Very high98.3Very high32 Ų3265 Ų6520%0.19633%0.327CS..SBendtrans-126.6164.3172.867.30000110.4E30 E31 N32 L48 G49E30-T46 HydrophobicContact CG-CG2 4.05Å; E30-T46 WeakPolarHBondContact OE1-CG2 3.35Å; E31-T46 WeakPolarHBondContact O-CG2 3.13Å; N32-T46 WeakPolarHBondContact CB-OG1 3.49Å; N32-T46 PolarHBondContact O-N 3.13Å; T46-L48 PolarHBondContact O-N 2.85Å; T46-G49 PolarHBondContact O-N 2.86Å; T46-G49 VanDerWaalsContact O-N 3.08Å
47E97.6Very high98.3Very high133 Ų13366.4 Ų66.462%0.62133%0.334SS*.G310 helixtrans-59-29.8177.3-69.1-57.8143.200113.1G49 R50E47-G49 PolarHBondContact O-N 2.88Å; E47-R50 WeakPolarHBondContact O-CB 3.46Å; E47-R50 PolarHBondContact O-N 2.96Å; E47-R50 IonicContact OE1-CZ 3.92Å; E47-R50 IonicContact OE1-NH2 3.91Å; E47-R50 PolarHBondContact OE1-NH2 3.33Å; E47-R50 IonicContact OE2-CZ 3.68Å; E47-R50 IonicContact OE2-NE 2.88Å; E47-R50 PolarHBondContact OE2-NE 3.35Å; E47-R50 IonicContact OE2-NH2 3.22Å; E47-R50 PolarHBondContact OE2-NH2 3Å
48L96.8Very high98.3Very high97 Ų9769.1 Ų69.151%0.50835%0.353SS..G310 helixtrans-60.2-35.3177.3-17865000112H27 T46 P51H27-L48 HydrophobicContact CB-CD2 3.99Å; T46-L48 PolarHBondContact O-N 2.85Å; L48-P51 WeakPolarHBondContact O-CD 3.37Å
49G98.3Very high98.3Very high0 Ų067.1 Ų67.10%034%0.341CS..G310 helixtrans-84.6-5-177.600000115.2V33 T46 E47 D52 A53V33-G49 VanDerWaalsContact CG2-O 3.31Å; V33-G49 WeakPolarHBondContact CG2-O 3.39Å; T46-G49 PolarHBondContact O-N 2.86Å; T46-G49 VanDerWaalsContact O-N 3.08Å; E47-G49 PolarHBondContact O-N 2.88Å; G49-D52 PolarHBondContact O-N 2.77Å; G49-A53 WeakPolarHBondContact O-CB 3.43Å; G49-A53 PolarHBondContact O-N 2.95Å
50R98.6Very high98.2Very high117 Ų11771 Ų7144%0.44235%0.351SS..Hα-helixtrans-57.2-47.3-178.2-176.1-171.2-64.1-96-0.3113A44 E47 D52 A53 E54A44-R50 HydrophobicContact CB-CB 4.27Å; E47-R50 WeakPolarHBondContact O-CB 3.46Å; E47-R50 PolarHBondContact O-N 2.96Å; E47-R50 IonicContact OE1-CZ 3.92Å; E47-R50 IonicContact OE1-NH2 3.91Å; E47-R50 PolarHBondContact OE1-NH2 3.33Å; E47-R50 IonicContact OE2-CZ 3.68Å; E47-R50 IonicContact OE2-NE 2.88Å; E47-R50 PolarHBondContact OE2-NE 3.35Å; E47-R50 IonicContact OE2-NH2 3.22Å; E47-R50 PolarHBondContact OE2-NH2 3Å; R50-D52 VanDerWaalsContact C-N 3.33Å; R50-D52 PolarHBondContact O-N 3.06Å; R50-A53 PolarHBondContact O-N 2.94Å; R50-E54 WeakPolarHBondContact CG-OE1 3.5Å; R50-E54 WeakPolarHBondContact O-CG 3.18Å; R50-E54 PolarHBondContact O-N 3.37Å
51P98.4Very high98.2Very high83 Ų8375.3 Ų75.354%0.53937%0.372SS..Hα-helixtrans-62.5-40.5180-21.334.6000112.6L48 E54 Y55L48-P51 WeakPolarHBondContact O-CD 3.37Å; P51-E54 PolarHBondContact O-N 3.44Å; P51-Y55 VanDerWaalsContact O-CB 3.26Å; P51-Y55 WeakPolarHBondContact O-CB 3.41Å; P51-Y55 PolarHBondContact O-N 3.21Å
52D98.1Very high98.1Very high65 Ų6575.1 Ų75.135%0.34837%0.372SS..Hα-helixtrans-67.8-44.7-179.7-65.8-32.2000111.2V33 G49 R50 E54 Y55 W56V33-D52 HydrophobicContact CG2-CB 4.02Å; G49-D52 PolarHBondContact O-N 2.77Å; R50-D52 VanDerWaalsContact C-N 3.33Å; R50-D52 PolarHBondContact O-N 3.06Å; D52-E54 PolarHBondContact O-N 2.88Å; D52-Y55 PolarHBondContact O-N 3.13Å; D52-W56 HydrophobicContact CB-CD2 4.45Å; D52-W56 HydrophobicContact CB-CE3 4.33Å; D52-W56 HydrophobicContact CB-CH2 4.18Å; D52-W56 HydrophobicContact CB-CZ2 4.26Å; D52-W56 HydrophobicContact CB-CZ3 4.22Å; D52-W56 WeakPolarHBondContact O-CB 3.27Å; D52-W56 VanDerWaalsContact O-CG 3.28Å; D52-W56 PolarHBondContact O-N 3.14Å
53A98.6Very high98.1Very high7 Ų775.7 Ų75.76%0.05838%0.375CS..Hα-helixtrans-61.3-43.8176.500000112V33 F42 A44 G49 R50 N57V33-A53 HydrophobicContact CG1-CB 4.15Å; F42-A53 HydrophobicContact CB-CB 4.25Å; A44-A53 HydrophobicContact CB-CB 4.18Å; G49-A53 WeakPolarHBondContact O-CB 3.43Å; G49-A53 PolarHBondContact O-N 2.95Å; R50-A53 PolarHBondContact O-N 2.94Å; A53-N57 VanDerWaalsContact O-CB 3.26Å; A53-N57 WeakPolarHBondContact O-CB 3.34Å; A53-N57 PolarHBondContact O-N 3.47Å; A53-N57 PolarHBondContact O-ND2 2.6Å
54E98.6Very high98.1Very high124 Ų12474.8 Ų74.858%0.57938%0.377SS*.Hα-helixtrans-63.3-44.7175.8-73174.1-171.500111.6R50 P51 D52 S58R50-E54 WeakPolarHBondContact CG-OE1 3.5Å; R50-E54 WeakPolarHBondContact O-CG 3.18Å; R50-E54 PolarHBondContact O-N 3.37Å; P51-E54 PolarHBondContact O-N 3.44Å; D52-E54 PolarHBondContact O-N 2.88Å; E54-S58 WeakPolarHBondContact O-CB 3.42Å; E54-S58 PolarHBondContact O-N 3.09Å; E54-S58 VanDerWaalsContact O-N 3.07Å
55Y98.5Very high98.1Very high133 Ų13377.3 Ų77.352%0.52239%0.388SS..Hα-helixtrans-64.3-47.9179.5177.4-116000112.4P51 D52 S58 Q59P51-Y55 VanDerWaalsContact O-CB 3.26Å; P51-Y55 WeakPolarHBondContact O-CB 3.41Å; P51-Y55 PolarHBondContact O-N 3.21Å; D52-Y55 PolarHBondContact O-N 3.13Å; Y55-S58 PolarHBondContact O-N 3.04Å; Y55-S58 PolarHBondContact O-OG 2.95Å; Y55-Q59 VanDerWaalsContact CD1-NE2 3.34Å; Y55-Q59 PolarHBondContact O-N 3.13Å; Y55-Q59 PolarHBondContact O-NE2 3.07Å; Y55-Q59 PolarHBondContact OH-NE2 3.39Å
56W98.4Very high98Very high47 Ų4775.5 Ų75.518%0.17838%0.376CS..Hα-helixtrans-67.8-38.4179.6-64-28.6000112.5Y25 V33 F42 D52 S58 Q59Y25-W56 AromaticContact CD1-CH2 3.81Å; Y25-W56 HydrophobicContact CD1-CH2 3.81Å; Y25-W56 HydrophobicContact CD1-CZ3 4.49Å; Y25-W56 AromaticContact CD2-CH2 3.93Å; Y25-W56 HydrophobicContact CD2-CH2 3.93Å; Y25-W56 AromaticContact CD2-CZ3 3.77Å; Y25-W56 HydrophobicContact CD2-CZ3 3.77Å; Y25-W56 AromaticContact CE1-CH2 3.73Å; Y25-W56 HydrophobicContact CE1-CH2 3.73Å; Y25-W56 HydrophobicContact CE1-CZ2 4.39Å; Y25-W56 HydrophobicContact CE1-CZ3 4.42Å; Y25-W56 AromaticContact CE2-CH2 3.9Å; Y25-W56 HydrophobicContact CE2-CH2 3.9Å; Y25-W56 AromaticContact CE2-CZ3 3.74Å; Y25-W56 HydrophobicContact CE2-CZ3 3.74Å; Y25-W56 AromaticContact CG-CH2 3.92Å; Y25-W56 HydrophobicContact CG-CH2 3.92Å; Y25-W56 HydrophobicContact CG-CZ3 4.19Å; Y25-W56 AromaticContact CZ-CH2 3.8Å; V33-W56 HydrophobicContact CB-CZ3 4Å; V33-W56 HydrophobicContact CG1-CE3 3.93Å; V33-W56 HydrophobicContact CG1-CZ3 3.56Å; V33-W56 HydrophobicContact CG2-CZ3 4.41Å; F42-W56 HydrophobicContact CB-CE3 4.44Å; F42-W56 HydrophobicContact CD1-CD2 4.4Å; F42-W56 AromaticContact CD1-CE3 3.39Å; F42-W56 HydrophobicContact CD1-CE3 3.39Å; F42-W56 AromaticContact CD1-CZ3 3.89Å; F42-W56 HydrophobicContact CD1-CZ3 3.89Å; F42-W56 HydrophobicContact CD2-CB 3.63Å; F42-W56 HydrophobicContact CD2-CE3 4.4Å; F42-W56 HydrophobicContact CE1-CD2 4.31Å; F42-W56 AromaticContact CE1-CE3 3.52Å; F42-W56 HydrophobicContact CE1-CE3 3.52Å; F42-W56 AromaticContact CE1-CZ3 3.92Å; F42-W56 HydrophobicContact CE1-CZ3 3.92Å; F42-W56 HydrophobicContact CE2-CB 3.82Å; F42-W56 HydrophobicContact CG-CB 4.08Å; F42-W56 AromaticContact CG-CE3 3.84Å; F42-W56 HydrophobicContact CG-CE3 3.84Å; F42-W56 HydrophobicContact CZ-CB 4.39Å; F42-W56 HydrophobicContact CZ-CD2 4.47Å; F42-W56 HydrophobicContact CZ-CE3 4.1Å; D52-W56 HydrophobicContact CB-CD2 4.45Å; D52-W56 HydrophobicContact CB-CE3 4.33Å; D52-W56 HydrophobicContact CB-CH2 4.18Å; D52-W56 HydrophobicContact CB-CZ2 4.26Å; D52-W56 HydrophobicContact CB-CZ3 4.22Å; D52-W56 WeakPolarHBondContact O-CB 3.27Å; D52-W56 VanDerWaalsContact O-CG 3.28Å; D52-W56 PolarHBondContact O-N 3.14Å; W56-S58 PolarHBondContact O-N 2.96Å; W56-Q59 PolarHBondContact O-N 3Å; W56-Q59 VanDerWaalsContact O-N 3.1Å
57N98.6Very high98.1Very high44 Ų4480 Ų8024%0.23539%0.389CS..Hα-helixtrans-67.5-23.9174.5-72.2-30.1000113.2E41 F42 A53 Q59E41-N57 WeakPolarHBondContact CB-OD1 3.36Å; F42-N57 PolarHBondContact N-OD1 3.42Å; F42-N57 PolarHBondContact O-ND2 2.77Å; A53-N57 VanDerWaalsContact O-CB 3.26Å; A53-N57 WeakPolarHBondContact O-CB 3.34Å; A53-N57 PolarHBondContact O-N 3.47Å; A53-N57 PolarHBondContact O-ND2 2.6Å; N57-Q59 VanDerWaalsContact C-N 3.29Å
58S98.3Very high98.1Very high83 Ų8375.5 Ų75.558%0.5838%0.375SS*.Hα-helixtrans-74.9-19.6173.880.70000113.3E54 Y55 W56E54-S58 WeakPolarHBondContact O-CB 3.42Å; E54-S58 PolarHBondContact O-N 3.09Å; E54-S58 VanDerWaalsContact O-N 3.07Å; Y55-S58 PolarHBondContact O-N 3.04Å; Y55-S58 PolarHBondContact O-OG 2.95Å; W56-S58 PolarHBondContact O-N 2.96Å
59Q98.4Very high98.2Very high44 Ų4471.3 Ų71.321%0.20635%0.354CS..  trans-93.997.9179.3-73.1178.591.800110.7Y55 W56 N57 D61 I62 L63Y55-Q59 VanDerWaalsContact CD1-NE2 3.34Å; Y55-Q59 PolarHBondContact O-N 3.13Å; Y55-Q59 PolarHBondContact O-NE2 3.07Å; Y55-Q59 PolarHBondContact OH-NE2 3.39Å; W56-Q59 PolarHBondContact O-N 3Å; W56-Q59 VanDerWaalsContact O-N 3.1Å; N57-Q59 VanDerWaalsContact C-N 3.29Å; Q59-D61 VanDerWaalsContact C-N 3.3Å; Q59-D61 PolarHBondContact O-N 2.79Å; Q59-I62 HydrophobicContact CB-CB 4.13Å; Q59-I62 HydrophobicContact CB-CD1 3.88Å; Q59-I62 HydrophobicContact CB-CG1 4Å; Q59-I62 VanDerWaalsContact CD-CD1 3.48Å; Q59-I62 HydrophobicContact CG-CD1 4.32Å; Q59-I62 PolarHBondContact O-N 2.77Å; Q59-L63 PolarHBondContact O-N 2.8Å
60K97.2Very high98.2Very high161 Ų16172 Ų7270%0.736%0.358SS*.Hα-helixtrans-60.6-38.4-174.5-69.8-173.6177.2-1780113.5L63 E64K60-L63 PolarHBondContact O-N 3.22Å; K60-E64 WeakPolarHBondContact O-CB 3.21Å; K60-E64 VanDerWaalsContact O-CG 3.26Å; K60-E64 WeakPolarHBondContact O-CG 3.22Å; K60-E64 PolarHBondContact O-N 3.41Å
61D97.6Very high98.2Very high102 Ų10270.9 Ų70.955%0.54536%0.361SS..Hα-helixtrans-61.6-46.8178.156.1-31.4000111.8Q59 E64 V65Q59-D61 VanDerWaalsContact C-N 3.3Å; Q59-D61 PolarHBondContact O-N 2.79Å; D61-E64 PolarHBondContact O-N 2.93Å; D61-V65 WeakPolarHBondContact O-CG2 3.42Å; D61-V65 PolarHBondContact O-N 3.14Å; D61-V65 VanDerWaalsContact O-N 3.1Å
62I96.8Very high98.1Very high50 Ų5071.3 Ų71.326%0.25636%0.362SS..Hα-helixtrans-61.4-49.9174.9-61.9-177.9000109.8F42 Q59 E64 V65 E66F42-I62 HydrophobicContact CE2-CG2 4.13Å; F42-I62 HydrophobicContact CZ-CG2 4.42Å; Q59-I62 HydrophobicContact CB-CB 4.13Å; Q59-I62 HydrophobicContact CB-CD1 3.88Å; Q59-I62 HydrophobicContact CB-CG1 4Å; Q59-I62 VanDerWaalsContact CD-CD1 3.48Å; Q59-I62 HydrophobicContact CG-CD1 4.32Å; Q59-I62 PolarHBondContact O-N 2.77Å; I62-E64 VanDerWaalsContact C-N 3.29Å; I62-E64 PolarHBondContact O-N 2.71Å; I62-V65 PolarHBondContact O-N 2.64Å; I62-V65 VanDerWaalsContact O-N 3.13Å; I62-E66 HydrophobicContact CG2-CG 4.35Å; I62-E66 WeakPolarHBondContact O-CG 3.29Å; I62-E66 PolarHBondContact O-N 3.14Å
63L98Very high98.1Very high14 Ų1473.2 Ų73.27%0.07337%0.365CS..Hα-helixtrans-62.5-36-176.5-171.461.2000112.9F35 G40 E41 F42 Q59 K60 R67F35-L63 HydrophobicContact CD2-CD1 4.44Å; F35-L63 HydrophobicContact CE2-CD1 3.93Å; G40-L63 WeakPolarHBondContact O-CD1 3.31Å; E41-L63 HydrophobicContact CB-CD1 4.1Å; F42-L63 HydrophobicContact CD2-CD1 4.44Å; Q59-L63 PolarHBondContact O-N 2.8Å; K60-L63 PolarHBondContact O-N 3.22Å; L63-R67 WeakPolarHBondContact O-CB 3.4Å; L63-R67 WeakPolarHBondContact O-CD 3.36Å; L63-R67 WeakPolarHBondContact O-CG 3.38Å; L63-R67 PolarHBondContact O-N 2.82Å
64E98.1Very high98.1Very high126 Ų12673 Ų7359%0.58936%0.363SS*.Hα-helixtrans-68.7-40174.8-76.6174.9-176.700112.2K60 D61 I62 R67 A68K60-E64 WeakPolarHBondContact O-CB 3.21Å; K60-E64 VanDerWaalsContact O-CG 3.26Å; K60-E64 WeakPolarHBondContact O-CG 3.22Å; K60-E64 PolarHBondContact O-N 3.41Å; D61-E64 PolarHBondContact O-N 2.93Å; I62-E64 VanDerWaalsContact C-N 3.29Å; I62-E64 PolarHBondContact O-N 2.71Å; E64-R67 PolarHBondContact O-N 2.83Å; E64-A68 WeakPolarHBondContact O-CB 3.28Å; E64-A68 PolarHBondContact O-N 2.92Å
65V97.9Very high98Very high95 Ų9570.7 Ų70.758%0.57635%0.349SS*.Hα-helixtrans-61.9-46.5174.9169.50000110.9D61 I62 R67 A68 A69D61-V65 WeakPolarHBondContact O-CG2 3.42Å; D61-V65 PolarHBondContact O-N 3.14Å; D61-V65 VanDerWaalsContact O-N 3.1Å; I62-V65 PolarHBondContact O-N 2.64Å; I62-V65 VanDerWaalsContact O-N 3.13Å; V65-R67 PolarHBondContact O-N 3.42Å; V65-A68 PolarHBondContact O-N 2.76Å; V65-A68 VanDerWaalsContact O-N 3.14Å; V65-A69 PolarHBondContact O-N 3.25Å
66E98.1Very high97.9Very high29 Ų2969.8 Ų69.814%0.13635%0.349CS..Hα-helixtrans-63.1-41.5178.8-68.2-60.9143.900112.3F21 F35 F42 I62 A68 A69F21-E66 VanDerWaalsContact CE1-OE2 3.31Å; F21-E66 WeakPolarHBondContact CE1-OE2 3.41Å; F35-E66 HydrophobicContact CD1-CB 4.02Å; F35-E66 HydrophobicContact CD2-CB 3.82Å; F35-E66 HydrophobicContact CD2-CG 4.43Å; F35-E66 HydrophobicContact CE1-CB 3.86Å; F35-E66 WeakPolarHBondContact CE1-O 3.45Å; F35-E66 HydrophobicContact CE2-CB 3.65Å; F35-E66 HydrophobicContact CG-CB 4.01Å; F35-E66 HydrophobicContact CZ-CB 3.68Å; F42-E66 HydrophobicContact CE2-CG 3.8Å; F42-E66 HydrophobicContact CZ-CG 3.61Å; I62-E66 HydrophobicContact CG2-CG 4.35Å; I62-E66 WeakPolarHBondContact O-CG 3.29Å; I62-E66 PolarHBondContact O-N 3.14Å; E66-A68 VanDerWaalsContact C-N 3.28Å; E66-A68 PolarHBondContact O-N 2.91Å; E66-A69 VanDerWaalsContact O-CB 3.27Å; E66-A69 WeakPolarHBondContact O-CB 3.44Å; E66-A69 PolarHBondContact O-N 3.41Å
67R98.4Very high97.7Very high125 Ų12570.5 Ų70.547%0.47236%0.357SS..Hα-helixtrans-62.3-36.7173.8-74.6168.3177169.90.3112.3F35 G40 L63 E64 V65 A69F35-R67 HydrophobicContact CE2-CG 4.32Å; F35-R67 HydrophobicContact CZ-CG 3.9Å; G40-R67 VanDerWaalsContact O-CZ 3.25Å; G40-R67 PolarHBondContact O-NE 3.31Å; G40-R67 PolarHBondContact O-NH2 3.43Å; L63-R67 WeakPolarHBondContact O-CB 3.4Å; L63-R67 WeakPolarHBondContact O-CD 3.36Å; L63-R67 WeakPolarHBondContact O-CG 3.38Å; L63-R67 PolarHBondContact O-N 2.82Å; E64-R67 PolarHBondContact O-N 2.83Å; V65-R67 PolarHBondContact O-N 3.42Å; R67-A69 VanDerWaalsContact C-N 3.32Å
68A98.5Very high97.4Very high40 Ų4072.2 Ų72.233%0.33136%0.36SS..Hα-helixtrans-76.5-17.4178.700000113.4E64 V65 E66 V70 D71 T72E64-A68 WeakPolarHBondContact O-CB 3.28Å; E64-A68 PolarHBondContact O-N 2.92Å; V65-A68 PolarHBondContact O-N 2.76Å; V65-A68 VanDerWaalsContact O-N 3.14Å; E66-A68 VanDerWaalsContact C-N 3.28Å; E66-A68 PolarHBondContact O-N 2.91Å; A68-V70 PolarHBondContact O-N 3.18Å; A68-V70 VanDerWaalsContact O-N 3.09Å; A68-D71 PolarHBondContact O-N 3.11Å; A68-T72 HydrophobicContact CB-CG2 4.12Å; A68-T72 PolarHBondContact O-N 2.97Å; A68-T72 PolarHBondContact O-OG1 2.03Å; A68-T72 VanDerWaalsContact O-OG1 3.13Å
69A98.4Very high97.2Very high8 Ų869.8 Ų69.87%0.06635%0.349CS..Hα-helixtrans-59.3-24.6-175.200000114F21 V65 E66 R67 D71 T72 Y73 C74F21-A69 HydrophobicContact CD1-CB 3.57Å; F21-A69 HydrophobicContact CD2-CB 4.42Å; F21-A69 HydrophobicContact CE1-CB 3.52Å; F21-A69 HydrophobicContact CE2-CB 4.36Å; F21-A69 HydrophobicContact CG-CB 4.02Å; F21-A69 HydrophobicContact CZ-CB 3.93Å; V65-A69 PolarHBondContact O-N 3.25Å; E66-A69 VanDerWaalsContact O-CB 3.27Å; E66-A69 WeakPolarHBondContact O-CB 3.44Å; E66-A69 PolarHBondContact O-N 3.41Å; R67-A69 VanDerWaalsContact C-N 3.32Å; A69-D71 PolarHBondContact O-N 3.47Å; A69-T72 WeakPolarHBondContact CA-OG1 3.39Å; A69-Y73 WeakPolarHBondContact O-CA 3.47Å; A69-Y73 VanDerWaalsContact O-CB 3.28Å; A69-Y73 WeakPolarHBondContact O-CB 3.47Å; A69-Y73 PolarHBondContact O-N 2.9Å; A69-C74 PolarHBondContact O-N 3.44Å
70V98.4Very high96.8Very high16 Ų1671.3 Ų71.310%0.09736%0.361CS..Iπ-helixtrans-56.2-41.8172.4-173.70000111V19 F21 A68 C74 R75V19-V70 HydrophobicContact CB-CG1 3.82Å; V19-V70 HydrophobicContact CG1-CG1 3.99Å; F21-V70 HydrophobicContact CB-CG2 3.93Å; A68-V70 PolarHBondContact O-N 3.18Å; A68-V70 VanDerWaalsContact O-N 3.09Å; V70-C74 WeakPolarHBondContact O-CB 3.44Å; V70-R75 VanDerWaalsContact CG1-NH1 3.33Å; V70-R75 PolarHBondContact O-N 3.4Å
71D98.1Very high96.4Very high92 Ų9267.9 Ų67.949%0.49235%0.353SS..Iπ-helixtrans-90.3-51.6179.2-73.2-50.5000112A68 A69 Y73 R75 H76A68-D71 PolarHBondContact O-N 3.11Å; A69-D71 PolarHBondContact O-N 3.47Å; D71-Y73 VanDerWaalsContact C-N 3.33Å; D71-Y73 PolarHBondContact O-N 3.08Å; D71-R75 WeakPolarHBondContact OD1-CD 3.38Å; D71-R75 IonicContact OD1-CZ 3.85Å; D71-R75 IonicContact OD1-NE 3.69Å; D71-R75 IonicContact OD1-NH1 2.88Å; D71-R75 PolarHBondContact OD1-NH1 3.05Å; D71-R75 IonicContact OD2-NH1 2.64Å; D71-H76 PolarHBondContact O-N 3.4Å; D71-H76 VanDerWaalsContact O-N 3.14Å
72T97.6Very high95.7Very high92 Ų9267.7 Ų67.756%0.56435%0.349SS*.Iπ-helixtrans-72.8-27.5-169.661.20000112.9A68 A69 H76A68-T72 HydrophobicContact CB-CG2 4.12Å; A68-T72 PolarHBondContact O-N 2.97Å; A68-T72 PolarHBondContact O-OG1 2.03Å; A68-T72 VanDerWaalsContact O-OG1 3.13Å; A69-T72 WeakPolarHBondContact CA-OG1 3.39Å; T72-H76 WeakPolarHBondContact O-CB 3.28Å
73Y97.4Very high94.7Very high106 Ų10668.2 Ų68.242%0.41636%0.357SS..Iπ-helixtrans-109-60.7178.7-177.1-102.4000111.1F21 A69 D71 N77F21-Y73 HydrophobicContact CD2-CD1 4.35Å; F21-Y73 AromaticContact CE2-CD1 3.94Å; F21-Y73 HydrophobicContact CE2-CD1 3.94Å; F21-Y73 HydrophobicContact CE2-CE1 4.29Å; A69-Y73 WeakPolarHBondContact O-CA 3.47Å; A69-Y73 VanDerWaalsContact O-CB 3.28Å; A69-Y73 WeakPolarHBondContact O-CB 3.47Å; A69-Y73 PolarHBondContact O-N 2.9Å; D71-Y73 VanDerWaalsContact C-N 3.33Å; D71-Y73 PolarHBondContact O-N 3.08Å; Y73-N77 VanDerWaalsContact CD2-ND2 3.31Å; Y73-N77 WeakPolarHBondContact CD2-ND2 3.34Å; Y73-N77 WeakPolarHBondContact CE2-ND2 3Å; Y73-N77 WeakPolarHBondContact O-CB 3.42Å; Y73-N77 PolarHBondContact O-N 3Å; Y73-N77 PolarHBondContact O-ND2 3.07Å; Y73-N77 VanDerWaalsContact O-ND2 3.13Å
74C97.9Very high93.3Very high1 Ų172.9 Ų72.91%0.00738%0.377CS..Iπ-helixtrans-67.9-59.5-171.3-62.90000113.3C10 F12 V19 F21 A69 V70 H76 N77 Y78C10-C74 HydrophobicContact CB-CB 3.64Å; C10-C74 WeakPolarHBondContact CB-SG 3.49Å; C10-C74 WeakPolarHBondContact SG-CA 3.38Å; C10-C74 WeakPolarHBondContact SG-CB 3.03Å; C10-C74 CovalentContact SG-SG 2.03Å; C10-C74 PolarHBondContact SG-SG 2.88Å; F12-C74 HydrophobicContact CE1-CB 4.26Å; F12-C74 HydrophobicContact CZ-CB 3.99Å; F12-C74 WeakPolarHBondContact CZ-O 3.45Å; V19-C74 HydrophobicContact CG1-CB 3.56Å; F21-C74 VanDerWaalsContact CD2-SG 3.5Å; A69-C74 PolarHBondContact O-N 3.44Å; V70-C74 WeakPolarHBondContact O-CB 3.44Å; C74-H76 VanDerWaalsContact C-N 3.34Å; C74-H76 PolarHBondContact O-N 3.26Å; C74-N77 PolarHBondContact O-N 2.85Å; C74-Y78 WeakPolarHBondContact O-CB 3.32Å; C74-Y78 PolarHBondContact O-N 2.94Å
75R97.1Very high92.1Very high77 Ų7770.8 Ų70.829%0.29137%0.373SS..Iπ-helixtrans-64.8-39.4-179.5-70.2-170.6-177.294.53.5112T16 V19 V70 D71 Y78 G79T16-R75 HydrophobicContact CG2-CG 4.47Å; T16-R75 PolarHBondContact O-NE 3.28Å; V19-R75 HydrophobicContact CG2-CG 3.95Å; V70-R75 VanDerWaalsContact CG1-NH1 3.33Å; V70-R75 PolarHBondContact O-N 3.4Å; D71-R75 WeakPolarHBondContact OD1-CD 3.38Å; D71-R75 IonicContact OD1-CZ 3.85Å; D71-R75 IonicContact OD1-NE 3.69Å; D71-R75 IonicContact OD1-NH1 2.88Å; D71-R75 PolarHBondContact OD1-NH1 3.05Å; D71-R75 IonicContact OD2-NH1 2.64Å; R75-Y78 PolarHBondContact O-N 2.64Å; R75-G79 PolarHBondContact O-N 3.36Å; R75-G79 VanDerWaalsContact O-N 3.08Å
76H95.6Very high90.3Very high113 Ų11370.9 Ų70.952%0.52337%0.373SS..Hα-helixtrans-55.2-55.5174.6-179.872.8000111.9D71 T72 C74 Y78 G79 V80D71-H76 PolarHBondContact O-N 3.4Å; D71-H76 VanDerWaalsContact O-N 3.14Å; T72-H76 WeakPolarHBondContact O-CB 3.28Å; C74-H76 VanDerWaalsContact C-N 3.34Å; C74-H76 PolarHBondContact O-N 3.26Å; H76-Y78 VanDerWaalsContact C-N 3.33Å; H76-Y78 PolarHBondContact O-N 3.27Å; H76-G79 PolarHBondContact O-N 2.9Å; H76-V80 WeakPolarHBondContact O-CG2 3.44Å; H76-V80 PolarHBondContact O-N 2.83Å; H76-V80 VanDerWaalsContact O-N 3.11Å
77N95.1Very high88.3Confident63 Ų6377.5 Ų77.534%0.33741%0.405SS..Hα-helixtrans-66.4-35-178.2-71.9-26.9000112.5Y73 C74 G79 V80 V81Y73-N77 VanDerWaalsContact CD2-ND2 3.31Å; Y73-N77 WeakPolarHBondContact CD2-ND2 3.34Å; Y73-N77 WeakPolarHBondContact CE2-ND2 3Å; Y73-N77 WeakPolarHBondContact O-CB 3.42Å; Y73-N77 PolarHBondContact O-N 3Å; Y73-N77 PolarHBondContact O-ND2 3.07Å; Y73-N77 VanDerWaalsContact O-ND2 3.13Å; C74-N77 PolarHBondContact O-N 2.85Å; N77-G79 PolarHBondContact O-N 3.28Å; N77-V80 PolarHBondContact O-N 2.99Å; N77-V81 WeakPolarHBondContact O-CG2 3.49Å; N77-V81 PolarHBondContact O-N 3.3Å
78Y93.3Very high86.1Confident79 Ų7980.4 Ų80.431%0.3142%0.415SS..Hα-helixtrans-56.8-50173.7-170.1-83000111.1F12 T16 C74 R75 H76 V80 V81 E82F12-Y78 AromaticContact CD1-CD2 3.74Å; F12-Y78 HydrophobicContact CD1-CD2 3.74Å; F12-Y78 HydrophobicContact CD1-CE2 4.25Å; F12-Y78 HydrophobicContact CD1-CG 4.35Å; F12-Y78 HydrophobicContact CD2-CD2 4.16Å; F12-Y78 AromaticContact CE1-CD2 3.65Å; F12-Y78 HydrophobicContact CE1-CD2 3.65Å; F12-Y78 AromaticContact CE1-CG 3.98Å; F12-Y78 HydrophobicContact CE1-CG 3.98Å; F12-Y78 HydrophobicContact CE2-CD2 4.05Å; F12-Y78 HydrophobicContact CG-CD2 4.02Å; F12-Y78 HydrophobicContact CG-CE2 4.26Å; F12-Y78 AromaticContact CZ-CD2 3.81Å; F12-Y78 HydrophobicContact CZ-CD2 3.81Å; F12-Y78 HydrophobicContact CZ-CG 4.28Å; T16-Y78 HydrophobicContact CG2-CD1 3.47Å; T16-Y78 VanDerWaalsContact CG2-CD1 3.47Å; T16-Y78 HydrophobicContact CG2-CD2 4.36Å; T16-Y78 HydrophobicContact CG2-CE1 3.9Å; T16-Y78 HydrophobicContact CG2-CG 3.73Å; C74-Y78 WeakPolarHBondContact O-CB 3.32Å; C74-Y78 PolarHBondContact O-N 2.94Å; R75-Y78 PolarHBondContact O-N 2.64Å; H76-Y78 VanDerWaalsContact C-N 3.33Å; H76-Y78 PolarHBondContact O-N 3.27Å; Y78-V80 VanDerWaalsContact C-N 3.34Å; Y78-V80 PolarHBondContact O-N 3.42Å; Y78-V81 PolarHBondContact O-N 3.49Å; Y78-E82 HydrophobicContact CD1-CB 4.43Å; Y78-E82 HydrophobicContact CE1-CB 4.33Å; Y78-E82 VanDerWaalsContact O-CB 3.29Å; Y78-E82 WeakPolarHBondContact O-CB 3.29Å; Y78-E82 PolarHBondContact O-N 2.83Å
79G92.3Very high83.7Confident33 Ų3392.6 Ų92.634%0.3445%0.453SS..Hα-helixtrans-63.6-36.4178.500000113.5R75 H76 N77 S83R75-G79 PolarHBondContact O-N 3.36Å; R75-G79 VanDerWaalsContact O-N 3.08Å; H76-G79 PolarHBondContact O-N 2.9Å; N77-G79 PolarHBondContact O-N 3.28Å; G79-S83 VanDerWaalsContact O-CB 3.28Å; G79-S83 WeakPolarHBondContact O-CB 3.35Å; G79-S83 PolarHBondContact O-N 3.03Å; G79-S83 PolarHBondContact O-OG 2.89Å
80V91Very high82.9Confident75 Ų7596.9 Ų96.946%0.45547%0.472SS..Hα-helixtrans-63.6-44.9175173.70000111.3H76 N77 Y78 S83 F84H76-V80 WeakPolarHBondContact O-CG2 3.44Å; H76-V80 PolarHBondContact O-N 2.83Å; H76-V80 VanDerWaalsContact O-N 3.11Å; N77-V80 PolarHBondContact O-N 2.99Å; Y78-V80 VanDerWaalsContact C-N 3.34Å; Y78-V80 PolarHBondContact O-N 3.42Å; V80-S83 PolarHBondContact O-OG 3.11Å; V80-F84 PolarHBondContact O-N 2.92Å
81V87.8Confident82.1Confident90 Ų90101.1 Ų101.155%0.54549%0.492SS..Hα-helixtrans-73.6-41.7-179.7175.30000111.7N77 Y78 F84 T85N77-V81 WeakPolarHBondContact O-CG2 3.49Å; N77-V81 PolarHBondContact O-N 3.3Å; Y78-V81 PolarHBondContact O-N 3.49Å; V81-F84 PolarHBondContact O-N 3.17Å; V81-T85 HydrophobicContact CG1-CG2 4.14Å; V81-T85 WeakPolarHBondContact O-CB 3.43Å; V81-T85 WeakPolarHBondContact O-CG2 3.42Å; V81-T85 PolarHBondContact O-N 3.46Å; V81-T85 PolarHBondContact O-OG1 2.9Å
82E83.8Confident81.2Confident97 Ų97101.6 Ų101.645%0.45349%0.492SS..Hα-helixtrans-59.4-49.6177.2-175-177.3-151.500110.7Y78 F84 T85 V86Y78-E82 HydrophobicContact CD1-CB 4.43Å; Y78-E82 HydrophobicContact CE1-CB 4.33Å; Y78-E82 VanDerWaalsContact O-CB 3.29Å; Y78-E82 WeakPolarHBondContact O-CB 3.29Å; Y78-E82 PolarHBondContact O-N 2.83Å; E82-F84 VanDerWaalsContact C-N 3.26Å; E82-F84 PolarHBondContact O-N 3.26Å; E82-T85 WeakPolarHBondContact CA-OG1 3.44Å; E82-T85 PolarHBondContact O-N 2.93Å; E82-T85 VanDerWaalsContact O-N 3.17Å; E82-T85 PolarHBondContact O-OG1 2.99Å; E82-T85 VanDerWaalsContact O-OG1 3.11Å; E82-V86 HydrophobicContact CG-CG2 4.11Å; E82-V86 WeakPolarHBondContact O-CB 3.31Å; E82-V86 VanDerWaalsContact O-CG2 3.31Å; E82-V86 WeakPolarHBondContact O-CG2 3.45Å; E82-V86 PolarHBondContact O-N 2.92Å
83S76.1Confident80.3Confident61 Ų61102.2 Ų102.243%0.42749%0.488SS..Hα-helixtrans-58.6-37.6177.9590000112.8G79 V80 Q87G79-S83 VanDerWaalsContact O-CB 3.28Å; G79-S83 WeakPolarHBondContact O-CB 3.35Å; G79-S83 PolarHBondContact O-N 3.03Å; G79-S83 PolarHBondContact O-OG 2.89Å; V80-S83 PolarHBondContact O-OG 3.11Å; S83-Q87 WeakPolarHBondContact O-CB 3.48Å; S83-Q87 WeakPolarHBondContact O-CG 3.48Å; S83-Q87 PolarHBondContact O-N 3.19Å
84F69.1Low79.2Confident113 Ų113101.9 Ų101.950%0.49649%0.492SS..Hα-helixtrans-73.3-34.8177.6-174-104.1000113.8V80 V81 E82 R88V80-F84 PolarHBondContact O-N 2.92Å; V81-F84 PolarHBondContact O-N 3.17Å; E82-F84 VanDerWaalsContact C-N 3.26Å; E82-F84 PolarHBondContact O-N 3.26Å; F84-R88 VanDerWaalsContact CE1-CZ 3.42Å; F84-R88 VanDerWaalsContact CZ-NH2 3.31Å; F84-R88 WeakPolarHBondContact O-CG 3.43Å
85T72.6Confident77.9Confident81 Ų81108.7 Ų108.750%0.49753%0.525SS..Hα-helixtrans-82.1-30.4-178.252.10000112.8V81 E82V81-T85 HydrophobicContact CG1-CG2 4.14Å; V81-T85 WeakPolarHBondContact O-CB 3.43Å; V81-T85 WeakPolarHBondContact O-CG2 3.42Å; V81-T85 PolarHBondContact O-N 3.46Å; V81-T85 PolarHBondContact O-OG1 2.9Å; E82-T85 WeakPolarHBondContact CA-OG1 3.44Å; E82-T85 PolarHBondContact O-N 2.93Å; E82-T85 VanDerWaalsContact O-N 3.17Å; E82-T85 PolarHBondContact O-OG1 2.99Å; E82-T85 VanDerWaalsContact O-OG1 3.11Å
86V60.4Low76.6Confident97 Ų97110.9 Ų110.959%0.58854%0.541SS*.Hα-helixtrans-75.3-37.3176.5174.60000112E82 R88E82-V86 HydrophobicContact CG-CG2 4.11Å; E82-V86 WeakPolarHBondContact O-CB 3.31Å; E82-V86 VanDerWaalsContact O-CG2 3.31Å; E82-V86 WeakPolarHBondContact O-CG2 3.45Å; E82-V86 PolarHBondContact O-N 2.92Å; V86-R88 PolarHBondContact O-N 3.36Å
87Q54.7Low75.1Confident169 Ų169110.8 Ų110.879%0.7954%0.543SS*.THydrogen-bonded Turntrans-72.4-3.3178.2-72.4-175.3-2.500114.5S83S83-Q87 WeakPolarHBondContact O-CB 3.48Å; S83-Q87 WeakPolarHBondContact O-CG 3.48Å; S83-Q87 PolarHBondContact O-N 3.19Å
88R52.7Low73.4Confident185 Ų185114.8 Ų114.870%0.69856%0.56SS**THydrogen-bonded Turntrans-100.317.5179-76.8180155.7-159.5-5.6113.8F84 V86F84-R88 VanDerWaalsContact CE1-CZ 3.42Å; F84-R88 VanDerWaalsContact CZ-NH2 3.31Å; F84-R88 WeakPolarHBondContact O-CG 3.43Å; V86-R88 PolarHBondContact O-N 3.36Å
89R47.6Very low71.6Confident297 Ų297118 Ų118100%1.12158%0.583SS**  trans-101.90169.8-79.6-172.4174.4-168.6-0.1111.8

Retrieved 89 of 89 residues in 87 ms (Link to these results)

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