A0A090KJ20_HUMAN Loading...

MHC class II antigen

AlphaFold DB , UniProt , Accession A0A090KJ20, Species HUMAN (Homo sapiens, Human), Gene HLA-DRB1, Length 89 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1R83.4Confident95.4Very high280 Ų28090.7 Ų90.7100%1.05744%0.439SS*.  0129.40176.4177.9177.9179.6-0.1107.1
2F90.3Very high95.5Very high103 Ų10389.2 Ų89.245%0.45243%0.429SS..  trans-83.3139.5174.8168.2-122.6000110.1E4 Y27 N28F2-E4 HydrophobicContact CE1-CB 4.22Å; F2-E4 HydrophobicContact CE2-CB 4.11Å; F2-E4 HydrophobicContact CZ-CB 3.57Å; F2-E4 HydrophobicContact CZ-CG 4.5Å; F2-Y27 HydrophobicContact CD2-CD2 4.22Å; F2-Y27 AromaticContact CD2-CE1 3.91Å; F2-Y27 HydrophobicContact CD2-CE1 3.91Å; F2-Y27 AromaticContact CD2-CE2 3.61Å; F2-Y27 HydrophobicContact CD2-CE2 3.61Å; F2-Y27 AromaticContact CD2-CZ 3.35Å; F2-Y27 WeakPolarHBondContact CD2-OH 3.38Å; F2-Y27 HydrophobicContact CE1-CE2 4.42Å; F2-Y27 HydrophobicContact CE2-CD1 4.16Å; F2-Y27 AromaticContact CE2-CD2 3.22Å; F2-Y27 HydrophobicContact CE2-CD2 3.22Å; F2-Y27 AromaticContact CE2-CE1 3.84Å; F2-Y27 HydrophobicContact CE2-CE1 3.84Å; F2-Y27 AromaticContact CE2-CE2 2.83Å; F2-Y27 HydrophobicContact CE2-CE2 2.83Å; F2-Y27 AromaticContact CE2-CG 3.85Å; F2-Y27 HydrophobicContact CE2-CG 3.85Å; F2-Y27 AromaticContact CE2-CZ 3.14Å; F2-Y27 AromaticContact CZ-CD2 3.72Å; F2-Y27 HydrophobicContact CZ-CD2 3.72Å; F2-Y27 AromaticContact CZ-CE2 3.28Å; F2-Y27 HydrophobicContact CZ-CE2 3.28Å; F2-Y27 AromaticContact CZ-CZ 3.95Å; F2-N28 WeakPolarHBondContact CA-OD1 3.5Å
3L95.9Very high95.5Very high84 Ų8489.8 Ų89.844%0.4443%0.429SS..  trans-135.7126.6173.617967.2000110Y5 N28L3-Y5 HydrophobicContact CD2-CD1 3.97Å; L3-Y5 HydrophobicContact CD2-CE1 4.17Å; L3-Y5 HydrophobicContact CG-CD1 4Å; L3-N28 PolarHBondContact N-OD1 2.84Å; L3-N28 PolarHBondContact O-N 2.64Å
4E96.1Very high95.3Very high114 Ų11493.4 Ų93.453%0.53345%0.452SS..EExtended strand (participates in β ladder)trans-120.4133.6169.6-177.9173.7-149.200108.8F2 F26 Y32F2-E4 HydrophobicContact CE1-CB 4.22Å; F2-E4 HydrophobicContact CE2-CB 4.11Å; F2-E4 HydrophobicContact CZ-CB 3.57Å; F2-E4 HydrophobicContact CZ-CG 4.5Å; E4-F26 WeakPolarHBondContact CA-O 3.49Å; E4-Y32 PolarHBondContact OE1-OH 2.62Å
5Y97.1Very high94.9Very high87 Ų8789.1 Ų89.134%0.34144%0.441SS..EExtended strand (participates in β ladder)trans-154.2163.6175.768.6-82.1000110.7L3 T7 F26L3-Y5 HydrophobicContact CD2-CD1 3.97Å; L3-Y5 HydrophobicContact CD2-CE1 4.17Å; L3-Y5 HydrophobicContact CG-CD1 4Å; Y5-T7 HydrophobicContact CD2-CG2 4.28Å; Y5-T7 HydrophobicContact CE2-CG2 4.17Å; Y5-F26 HydrophobicContact CD1-CB 3.86Å; Y5-F26 HydrophobicContact CD2-CB 4.33Å; Y5-F26 AromaticContact CD2-CD2 3.8Å; Y5-F26 HydrophobicContact CD2-CD2 3.8Å; Y5-F26 HydrophobicContact CD2-CE2 4.49Å; Y5-F26 HydrophobicContact CD2-CG 4.32Å; Y5-F26 HydrophobicContact CE1-CB 3.47Å; Y5-F26 VanDerWaalsContact CE1-CB 3.47Å; Y5-F26 HydrophobicContact CE1-CD2 4.45Å; Y5-F26 HydrophobicContact CE1-CG 4.02Å; Y5-F26 HydrophobicContact CE2-CB 3.97Å; Y5-F26 HydrophobicContact CE2-CD1 4.4Å; Y5-F26 AromaticContact CE2-CD2 3.35Å; Y5-F26 HydrophobicContact CE2-CD2 3.35Å; Y5-F26 AromaticContact CE2-CE2 3.86Å; Y5-F26 HydrophobicContact CE2-CE2 3.86Å; Y5-F26 AromaticContact CE2-CG 3.67Å; Y5-F26 HydrophobicContact CE2-CG 3.67Å; Y5-F26 HydrophobicContact CG-CB 4.28Å; Y5-F26 AromaticContact CZ-CD2 3.73Å; Y5-F26 AromaticContact CZ-CG 3.49Å; Y5-F26 VanDerWaalsContact CZ-CG 3.49Å; Y5-F26 PolarHBondContact N-O 2.97Å; Y5-F26 PolarHBondContact O-N 3.29Å
6S97.3Very high94.9Very high69 Ų6987.2 Ų87.248%0.48344%0.436SS..EExtended strand (participates in β ladder)trans-129.2161.2172.863.30000111.6R24S6-R24 CarbonylContact C-O 3.45Å; S6-R24 WeakPolarHBondContact CA-O 3.21Å; S6-R24 VanDerWaalsContact CB-O 3.25Å; S6-R24 WeakPolarHBondContact CB-O 3.36Å
7T98.1Very high94.8Very high38 Ų3890.8 Ų90.823%0.23345%0.451CS..EExtended strand (participates in β ladder)trans-131.3130.4174.6610000109.9Y5 D23 R24 F26Y5-T7 HydrophobicContact CD2-CG2 4.28Å; Y5-T7 HydrophobicContact CE2-CG2 4.17Å; T7-D23 WeakPolarHBondContact O-CA 3.2Å; T7-R24 PolarHBondContact N-O 2.97Å; T7-R24 PolarHBondContact O-N 2.72Å; T7-F26 HydrophobicContact CG2-CE2 3.97Å
8G97.6Very high94.9Very high43 Ų4393.6 Ų93.644%0.44346%0.456SS..EExtended strand (participates in β ladder)trans-102.6102.6166.900000109.8L22G8-L22 CarbonylContact C-O 3.57Å; G8-L22 WeakPolarHBondContact CA-O 3.35Å
9E98.2Very high95.1Very high49 Ų4989.1 Ų89.123%0.22943%0.434CS..EExtended strand (participates in β ladder)trans-107137.3-174-54.5173.7151.600110.3Y11 F21 L22 R24E9-Y11 HydrophobicContact CB-CD2 4.4Å; E9-Y11 HydrophobicContact CB-CE2 3.63Å; E9-Y11 PolarHBondContact OE2-OH 3.35Å; E9-F21 WeakPolarHBondContact O-CA 3.48Å; E9-F21 WeakPolarHBondContact O-CD2 3.43Å; E9-L22 HydrophobicContact CB-CB 4.28Å; E9-L22 PolarHBondContact N-O 3.4Å; E9-L22 PolarHBondContact O-N 3.02Å; E9-R24 IonicContact OE1-NH1 3.3Å; E9-R24 PolarHBondContact OE1-NH1 3.18Å; E9-R24 WeakPolarHBondContact OE2-CD 3.45Å; E9-R24 IonicContact OE2-NH1 3.91Å
10C98.3Very high95.2Very high37 Ų3788.1 Ų88.125%0.2543%0.426CS..EExtended strand (participates in β ladder)trans-117.4121.4173.7-62.20000109.6F12 R20 C74C10-F12 HydrophobicContact CB-CD2 4.34Å; C10-F12 HydrophobicContact CB-CE2 3.46Å; C10-F12 VanDerWaalsContact CB-CE2 3.46Å; C10-F12 HydrophobicContact CB-CZ 3.66Å; C10-R20 WeakPolarHBondContact CA-O 3.37Å; C10-C74 HydrophobicContact CB-CB 3.67Å; C10-C74 WeakPolarHBondContact CB-SG 3.28Å; C10-C74 WeakPolarHBondContact SG-CA 3.45Å; C10-C74 WeakPolarHBondContact SG-CB 3.46Å; C10-C74 CovalentContact SG-SG 2.04Å; C10-C74 PolarHBondContact SG-SG 2.93Å
11Y97.8Very high95.4Very high94 Ų9484.2 Ų84.237%0.36941%0.407SS..EExtended strand (participates in β ladder)trans-106.3123.6176-62.2-95.3000109.5E9 V19 R20 L22E9-Y11 HydrophobicContact CB-CD2 4.4Å; E9-Y11 HydrophobicContact CB-CE2 3.63Å; E9-Y11 PolarHBondContact OE2-OH 3.35Å; Y11-V19 WeakPolarHBondContact O-CA 3.34Å; Y11-R20 PolarHBondContact N-O 3.41Å; Y11-R20 PolarHBondContact O-N 3.16Å; Y11-L22 HydrophobicContact CD2-CD1 4.36Å; Y11-L22 HydrophobicContact CD2-CG 4.44Å; Y11-L22 HydrophobicContact CE2-CB 4.43Å; Y11-L22 HydrophobicContact CE2-CD1 3.65Å; Y11-L22 HydrophobicContact CE2-CG 4.06Å
12F96.4Very high96.1Very high72 Ų7271.3 Ų71.332%0.31636%0.359SS..EExtended strand (participates in β ladder)trans-111.2130.1-174.9-63.2-85.8000109.9C10 G15 T16 V19 C74 Y78C10-F12 HydrophobicContact CB-CD2 4.34Å; C10-F12 HydrophobicContact CB-CE2 3.46Å; C10-F12 VanDerWaalsContact CB-CE2 3.46Å; C10-F12 HydrophobicContact CB-CZ 3.66Å; F12-G15 WeakPolarHBondContact CB-O 3.43Å; F12-T16 HydrophobicContact CD1-CG2 4.35Å; F12-T16 HydrophobicContact CE1-CG2 4.49Å; F12-V19 HydrophobicContact CD1-CB 4.49Å; F12-V19 HydrophobicContact CD1-CG1 4.06Å; F12-V19 HydrophobicContact CD1-CG2 3.71Å; F12-V19 HydrophobicContact CE1-CG1 3.85Å; F12-V19 HydrophobicContact CE1-CG2 4Å; F12-V19 HydrophobicContact CZ-CG1 4.48Å; F12-C74 HydrophobicContact CE1-CB 4.22Å; F12-C74 HydrophobicContact CZ-CB 3.98Å; F12-C74 WeakPolarHBondContact CZ-O 3.36Å; F12-Y78 AromaticContact CD1-CD2 3.67Å; F12-Y78 HydrophobicContact CD1-CD2 3.67Å; F12-Y78 HydrophobicContact CD1-CE2 4.23Å; F12-Y78 HydrophobicContact CD1-CG 4.25Å; F12-Y78 HydrophobicContact CD2-CD2 4.13Å; F12-Y78 AromaticContact CE1-CD2 3.66Å; F12-Y78 HydrophobicContact CE1-CD2 3.66Å; F12-Y78 AromaticContact CE1-CG 3.95Å; F12-Y78 HydrophobicContact CE1-CG 3.95Å; F12-Y78 HydrophobicContact CE2-CD2 4.1Å; F12-Y78 AromaticContact CG-CD2 3.92Å; F12-Y78 HydrophobicContact CG-CD2 3.92Å; F12-Y78 HydrophobicContact CG-CE2 4.22Å; F12-Y78 AromaticContact CZ-CD2 3.88Å; F12-Y78 HydrophobicContact CZ-CD2 3.88Å; F12-Y78 HydrophobicContact CZ-CG 4.32Å
13F94.9Very high96.5Very high98 Ų9866.8 Ų66.843%0.4334%0.339SS..EExtended strand (participates in β ladder)trans-124.1127.6176.9-54.3-88.8000109R18F13-R18 HydrophobicContact CB-CB 4.25Å; F13-R18 HydrophobicContact CD2-CB 4.47Å; F13-R18 HydrophobicContact CD2-CG 4.21Å; F13-R18 PolarHBondContact N-O 3.26Å; F13-R18 PolarHBondContact O-N 3.23Å
14N93.3Very high96.6Very high140 Ų14065.3 Ų65.375%0.74933%0.328SS*.THydrogen-bonded Turntrans51.155.1-174.8-59.3-20.4000112.3T16 E17N14-T16 PolarHBondContact O-N 2.84Å; N14-E17 HydrophobicContact CB-CB 4.34Å; N14-E17 WeakPolarHBondContact CB-OE2 3.4Å; N14-E17 PolarHBondContact ND2-OE2 2.92Å
15G89.5Confident96.7Very high29 Ų2962.4 Ų62.430%0.29931%0.312SS..THydrogen-bonded Turntrans71.5-125.6-171.700000110.8F12F12-G15 WeakPolarHBondContact CB-O 3.43Å
16T94.2Very high96.8Very high58 Ų5859 Ų5936%0.35630%0.299SS..THydrogen-bonded Turntrans-103.59-178.555.80000113.9F12 N14 R75 Y78F12-T16 HydrophobicContact CD1-CG2 4.35Å; F12-T16 HydrophobicContact CE1-CG2 4.49Å; N14-T16 PolarHBondContact O-N 2.84Å; T16-R75 HydrophobicContact CG2-CG 4.41Å; T16-R75 PolarHBondContact O-NE 2.66Å; T16-R75 VanDerWaalsContact O-NE 3.13Å; T16-Y78 HydrophobicContact CG2-CD1 3.45Å; T16-Y78 VanDerWaalsContact CG2-CD1 3.45Å; T16-Y78 HydrophobicContact CG2-CD2 4.39Å; T16-Y78 HydrophobicContact CG2-CE1 3.9Å; T16-Y78 HydrophobicContact CG2-CG 3.75Å
17E93.4Very high96.7Very high148 Ų14860 Ų6069%0.69229%0.293SS*.THydrogen-bonded Turntrans-56.7-54178.7-174.7-176.1-177.100110.6N14N14-E17 HydrophobicContact CB-CB 4.34Å; N14-E17 WeakPolarHBondContact CB-OE2 3.4Å; N14-E17 PolarHBondContact ND2-OE2 2.92Å
18R96.9Very high96.6Very high142 Ų14261.9 Ų61.954%0.53630%0.302SS..EExtended strand (participates in β ladder)trans-120.5127170.7-178.3-179.9178.3-175.7-1.1110.1F13 D38F13-R18 HydrophobicContact CB-CB 4.25Å; F13-R18 HydrophobicContact CD2-CB 4.47Å; F13-R18 HydrophobicContact CD2-CG 4.21Å; F13-R18 PolarHBondContact N-O 3.26Å; F13-R18 PolarHBondContact O-N 3.23Å; R18-D38 IonicContact CZ-OD2 3.71Å; R18-D38 IonicContact NH2-OD2 2.89Å; R18-D38 PolarHBondContact NH2-OD2 2.94Å
19V98.1Very high96.4Very high8 Ų867.3 Ų67.35%0.04832%0.316CS..EExtended strand (participates in β ladder)trans-129.8131.9-180-175.90000108.8Y11 F12 V70 C74 R75Y11-V19 WeakPolarHBondContact O-CA 3.34Å; F12-V19 HydrophobicContact CD1-CB 4.49Å; F12-V19 HydrophobicContact CD1-CG1 4.06Å; F12-V19 HydrophobicContact CD1-CG2 3.71Å; F12-V19 HydrophobicContact CE1-CG1 3.85Å; F12-V19 HydrophobicContact CE1-CG2 4Å; F12-V19 HydrophobicContact CZ-CG1 4.48Å; V19-V70 HydrophobicContact CB-CG1 3.73Å; V19-V70 HydrophobicContact CG1-CG1 3.88Å; V19-V70 WeakPolarHBondContact O-CG1 3.38Å; V19-C74 HydrophobicContact CG1-CB 3.53Å; V19-R75 HydrophobicContact CG2-CG 3.87Å
20R98.2Very high96.4Very high69 Ų6970.6 Ų70.626%0.2633%0.331SS..EExtended strand (participates in β ladder)trans-118.9128.7174.5179.6179.3174.8-1570.4109.7C10 Y11 D36 S37C10-R20 WeakPolarHBondContact CA-O 3.37Å; Y11-R20 PolarHBondContact N-O 3.41Å; Y11-R20 PolarHBondContact O-N 3.16Å; R20-D36 IonicContact CZ-OD1 3.63Å; R20-D36 IonicContact CZ-OD2 3.26Å; R20-D36 IonicContact NE-OD1 3.57Å; R20-D36 PolarHBondContact NE-OD1 2.95Å; R20-D36 IonicContact NE-OD2 2.69Å; R20-D36 PolarHBondContact NE-OD2 3.43Å; R20-D36 IonicContact NH2-OD1 3.05Å; R20-D36 IonicContact NH2-OD2 3.18Å; R20-D36 PolarHBondContact NH2-OD2 2.82Å; R20-S37 WeakPolarHBondContact CA-OG 3.45Å
21F98.6Very high96.4Very high6 Ų669.7 Ų69.73%0.02632%0.323CS..EExtended strand (participates in β ladder)trans-104.2129.7174.7176.4-108.9000110E9 D23 F35 S37 L69 V70 Y73 C74E9-F21 WeakPolarHBondContact O-CA 3.48Å; E9-F21 WeakPolarHBondContact O-CD2 3.43Å; F21-D23 HydrophobicContact CE1-CB 3.72Å; F21-D23 HydrophobicContact CZ-CB 3.88Å; F21-F35 HydrophobicContact CD1-CD1 4.18Å; F21-F35 HydrophobicContact CD1-CE1 4.27Å; F21-F35 HydrophobicContact CE1-CD1 4.4Å; F21-S37 PolarHBondContact N-OG 3.37Å; F21-S37 PolarHBondContact O-N 2.9Å; F21-S37 PolarHBondContact O-OG 2.89Å; F21-L69 HydrophobicContact CD1-CB 3.86Å; F21-L69 HydrophobicContact CD1-CD1 4.17Å; F21-L69 HydrophobicContact CE1-CB 3.89Å; F21-L69 HydrophobicContact CE1-CD1 3.35Å; F21-L69 HydrophobicContact CE1-CG 4.26Å; F21-L69 HydrophobicContact CE2-CD1 4.45Å; F21-L69 HydrophobicContact CG-CB 4.19Å; F21-L69 HydrophobicContact CZ-CB 4.25Å; F21-L69 HydrophobicContact CZ-CD1 3.53Å; F21-V70 HydrophobicContact CB-CG2 4.06Å; F21-Y73 HydrophobicContact CE2-CD1 4.27Å; F21-C74 VanDerWaalsContact CD2-SG 3.58Å
22L98.4Very high96.4Very high10 Ų1066.3 Ų66.35%0.05231%0.31CS..EExtended strand (participates in β ladder)trans-118.3126.5172.2-68.3-175.4000109.9G8 E9 Y11 R24 D36G8-L22 CarbonylContact C-O 3.57Å; G8-L22 WeakPolarHBondContact CA-O 3.35Å; E9-L22 HydrophobicContact CB-CB 4.28Å; E9-L22 PolarHBondContact N-O 3.4Å; E9-L22 PolarHBondContact O-N 3.02Å; Y11-L22 HydrophobicContact CD2-CD1 4.36Å; Y11-L22 HydrophobicContact CD2-CG 4.44Å; Y11-L22 HydrophobicContact CE2-CB 4.43Å; Y11-L22 HydrophobicContact CE2-CD1 3.65Å; Y11-L22 HydrophobicContact CE2-CG 4.06Å; L22-R24 HydrophobicContact CB-CG 4.15Å; L22-D36 HydrophobicContact CD2-CB 3.68Å; L22-D36 VanDerWaalsContact CD2-CG 3.41Å
23D98.3Very high96.6Very high7 Ų763 Ų634%0.03730%0.296CS..EExtended strand (participates in β ladder)trans-114.7107.7170.6-169.29.8000108.3T7 F21 Y25 R34 F35 R66T7-D23 WeakPolarHBondContact O-CA 3.2Å; F21-D23 HydrophobicContact CE1-CB 3.72Å; F21-D23 HydrophobicContact CZ-CB 3.88Å; D23-Y25 PolarHBondContact OD2-OH 2.7Å; D23-R34 CarbonylContact O-C 3.46Å; D23-R34 WeakPolarHBondContact O-CA 3.2Å; D23-F35 HydrophobicContact CB-CB 4.17Å; D23-F35 PolarHBondContact N-O 3.26Å; D23-F35 PolarHBondContact O-N 2.85Å; D23-R66 IonicContact OD2-CZ 2.64Å; D23-R66 VanDerWaalsContact OD2-CZ 3.26Å; D23-R66 IonicContact OD2-NE 3.84Å; D23-R66 IonicContact OD2-NH1 3.72Å; D23-R66 PolarHBondContact OD2-NH1 2.82Å
24R98.5Very high96.7Very high53 Ų5361.9 Ų61.920%0.229%0.288CS..EExtended strand (participates in β ladder)trans-119.3139.2-167.8-55.316967.4-161.4-2.1109.8S6 T7 E9 L22 F26 E31 R34S6-R24 CarbonylContact C-O 3.45Å; S6-R24 WeakPolarHBondContact CA-O 3.21Å; S6-R24 VanDerWaalsContact CB-O 3.25Å; S6-R24 WeakPolarHBondContact CB-O 3.36Å; T7-R24 PolarHBondContact N-O 2.97Å; T7-R24 PolarHBondContact O-N 2.72Å; E9-R24 IonicContact OE1-NH1 3.3Å; E9-R24 PolarHBondContact OE1-NH1 3.18Å; E9-R24 WeakPolarHBondContact OE2-CD 3.45Å; E9-R24 IonicContact OE2-NH1 3.91Å; L22-R24 HydrophobicContact CB-CG 4.15Å; R24-F26 HydrophobicContact CB-CE2 3.59Å; R24-F26 HydrophobicContact CB-CZ 3.85Å; R24-E31 HydrophobicContact CB-CG 4.45Å; R24-E31 WeakPolarHBondContact CG-OE1 3.41Å; R24-E31 IonicContact CZ-OE1 3.07Å; R24-E31 IonicContact CZ-OE2 2.72Å; R24-E31 VanDerWaalsContact NE-CD 3.29Å; R24-E31 IonicContact NE-OE1 2.71Å; R24-E31 PolarHBondContact NE-OE1 3.07Å; R24-E31 IonicContact NE-OE2 3.98Å; R24-E31 PolarHBondContact NE-OE2 2.71Å; R24-E31 IonicContact NH2-OE2 3.37Å; R24-E31 PolarHBondContact NH2-OE2 3.05Å; R24-R34 HydrophobicContact CG-CB 4.2Å
25Y98.2Very high97Very high54 Ų5455.2 Ų55.221%0.21225%0.253CS..EExtended strand (participates in β ladder)trans-121.7134.3-177.5-62.2-102.6000110.4D23 E31 Y32 V33 Y42D23-Y25 PolarHBondContact OD2-OH 2.7Å; Y25-E31 WeakPolarHBondContact O-CA 3.37Å; Y25-Y32 VanDerWaalsContact C-CE1 3.43Å; Y25-Y32 WeakPolarHBondContact O-CD1 3.23Å; Y25-Y32 PolarHBondContact O-N 3.25Å; Y25-V33 HydrophobicContact CD2-CG1 3.83Å; Y25-V33 HydrophobicContact CG-CG1 3.94Å; Y25-V33 PolarHBondContact N-O 2.84Å; Y25-Y42 AromaticContact CE2-CE1 3.95Å; Y25-Y42 HydrophobicContact CE2-CE1 3.95Å
26F98.3Very high97.4Very high14 Ų1454.5 Ų54.56%0.06124%0.242CC..EExtended strand (participates in β ladder)trans-126.3137.6-170.8-58.4-96.6000111.7E4 Y5 T7 R24 E30 E31E4-F26 WeakPolarHBondContact CA-O 3.49Å; Y5-F26 HydrophobicContact CD1-CB 3.86Å; Y5-F26 HydrophobicContact CD2-CB 4.33Å; Y5-F26 AromaticContact CD2-CD2 3.8Å; Y5-F26 HydrophobicContact CD2-CD2 3.8Å; Y5-F26 HydrophobicContact CD2-CE2 4.49Å; Y5-F26 HydrophobicContact CD2-CG 4.32Å; Y5-F26 HydrophobicContact CE1-CB 3.47Å; Y5-F26 VanDerWaalsContact CE1-CB 3.47Å; Y5-F26 HydrophobicContact CE1-CD2 4.45Å; Y5-F26 HydrophobicContact CE1-CG 4.02Å; Y5-F26 HydrophobicContact CE2-CB 3.97Å; Y5-F26 HydrophobicContact CE2-CD1 4.4Å; Y5-F26 AromaticContact CE2-CD2 3.35Å; Y5-F26 HydrophobicContact CE2-CD2 3.35Å; Y5-F26 AromaticContact CE2-CE2 3.86Å; Y5-F26 HydrophobicContact CE2-CE2 3.86Å; Y5-F26 AromaticContact CE2-CG 3.67Å; Y5-F26 HydrophobicContact CE2-CG 3.67Å; Y5-F26 HydrophobicContact CG-CB 4.28Å; Y5-F26 AromaticContact CZ-CD2 3.73Å; Y5-F26 AromaticContact CZ-CG 3.49Å; Y5-F26 VanDerWaalsContact CZ-CG 3.49Å; Y5-F26 PolarHBondContact N-O 2.97Å; Y5-F26 PolarHBondContact O-N 3.29Å; T7-F26 HydrophobicContact CG2-CE2 3.97Å; R24-F26 HydrophobicContact CB-CE2 3.59Å; R24-F26 HydrophobicContact CB-CZ 3.85Å; F26-E30 CarbonylContact C-O 3.54Å; F26-E30 VanDerWaalsContact CA-O 3.28Å; F26-E30 WeakPolarHBondContact CA-O 3.49Å; F26-E31 HydrophobicContact CD1-CB 3.72Å; F26-E31 HydrophobicContact CD1-CG 4.32Å; F26-E31 HydrophobicContact CE1-CB 3.62Å; F26-E31 HydrophobicContact CE1-CG 4.04Å; F26-E31 HydrophobicContact CZ-CB 4.4Å; F26-E31 HydrophobicContact CZ-CG 4.34Å
27Y96.3Very high97.6Very high92 Ų9253 Ų5336%0.36123%0.234SC..EExtended strand (participates in β ladder)trans-119.1113.2171.3-169.7-81000107.7F2 Q29 E30 L48F2-Y27 HydrophobicContact CD2-CD2 4.22Å; F2-Y27 AromaticContact CD2-CE1 3.91Å; F2-Y27 HydrophobicContact CD2-CE1 3.91Å; F2-Y27 AromaticContact CD2-CE2 3.61Å; F2-Y27 HydrophobicContact CD2-CE2 3.61Å; F2-Y27 AromaticContact CD2-CZ 3.35Å; F2-Y27 WeakPolarHBondContact CD2-OH 3.38Å; F2-Y27 HydrophobicContact CE1-CE2 4.42Å; F2-Y27 HydrophobicContact CE2-CD1 4.16Å; F2-Y27 AromaticContact CE2-CD2 3.22Å; F2-Y27 HydrophobicContact CE2-CD2 3.22Å; F2-Y27 AromaticContact CE2-CE1 3.84Å; F2-Y27 HydrophobicContact CE2-CE1 3.84Å; F2-Y27 AromaticContact CE2-CE2 2.83Å; F2-Y27 HydrophobicContact CE2-CE2 2.83Å; F2-Y27 AromaticContact CE2-CG 3.85Å; F2-Y27 HydrophobicContact CE2-CG 3.85Å; F2-Y27 AromaticContact CE2-CZ 3.14Å; F2-Y27 AromaticContact CZ-CD2 3.72Å; F2-Y27 HydrophobicContact CZ-CD2 3.72Å; F2-Y27 AromaticContact CZ-CE2 3.28Å; F2-Y27 HydrophobicContact CZ-CE2 3.28Å; F2-Y27 AromaticContact CZ-CZ 3.95Å; Y27-Q29 VanDerWaalsContact C-N 3.3Å; Y27-Q29 PolarHBondContact O-N 2.96Å; Y27-E30 PolarHBondContact N-O 3.22Å; Y27-E30 WeakPolarHBondContact O-CB 3.48Å; Y27-E30 PolarHBondContact O-N 2.88Å; Y27-L48 HydrophobicContact CD2-CD2 4.42Å; Y27-L48 HydrophobicContact CG-CD2 4.19Å
28N95.3Very high97.8Very high76 Ų7649.8 Ų49.841%0.40622%0.221SC..THydrogen-bonded Turntrans49.745.2-176.4-62.7-35.4000114.1F2 L3 E30F2-N28 WeakPolarHBondContact CA-OD1 3.5Å; L3-N28 PolarHBondContact N-OD1 2.84Å; L3-N28 PolarHBondContact O-N 2.64Å; N28-E30 PolarHBondContact O-N 3.47Å
29Q94.5Very high97.9Very high158 Ų15846.8 Ų46.874%0.73822%0.219SC*.THydrogen-bonded Turntrans74-6.8-177.3-48.1169.334.600115.1Y27Y27-Q29 VanDerWaalsContact C-N 3.3Å; Y27-Q29 PolarHBondContact O-N 2.96Å
30E97.4Very high97.9Very high118 Ų11846.8 Ų46.855%0.55122%0.221SC*.EExtended strand (participates in β ladder)trans-87.2119.3172.7-171.7175.7178.500109.5F26 Y27 N28 Y32 T46F26-E30 CarbonylContact C-O 3.54Å; F26-E30 VanDerWaalsContact CA-O 3.28Å; F26-E30 WeakPolarHBondContact CA-O 3.49Å; Y27-E30 PolarHBondContact N-O 3.22Å; Y27-E30 WeakPolarHBondContact O-CB 3.48Å; Y27-E30 PolarHBondContact O-N 2.88Å; N28-E30 PolarHBondContact O-N 3.47Å; E30-Y32 PolarHBondContact O-N 3.35Å; E30-T46 HydrophobicContact CG-CG2 4.04Å; E30-T46 WeakPolarHBondContact OE1-CG2 3.4Å
31E98.4Very high97.9Very high18 Ų1846.1 Ų46.18%0.08422%0.221CC..EExtended strand (participates in β ladder)trans-71.1123.2173.7-171.1-179.3176.300109.6R24 Y25 F26 R34 V45 T46R24-E31 HydrophobicContact CB-CG 4.45Å; R24-E31 WeakPolarHBondContact CG-OE1 3.41Å; R24-E31 IonicContact CZ-OE1 3.07Å; R24-E31 IonicContact CZ-OE2 2.72Å; R24-E31 VanDerWaalsContact NE-CD 3.29Å; R24-E31 IonicContact NE-OE1 2.71Å; R24-E31 PolarHBondContact NE-OE1 3.07Å; R24-E31 IonicContact NE-OE2 3.98Å; R24-E31 PolarHBondContact NE-OE2 2.71Å; R24-E31 IonicContact NH2-OE2 3.37Å; R24-E31 PolarHBondContact NH2-OE2 3.05Å; Y25-E31 WeakPolarHBondContact O-CA 3.37Å; F26-E31 HydrophobicContact CD1-CB 3.72Å; F26-E31 HydrophobicContact CD1-CG 4.32Å; F26-E31 HydrophobicContact CE1-CB 3.62Å; F26-E31 HydrophobicContact CE1-CG 4.04Å; F26-E31 HydrophobicContact CZ-CB 4.4Å; F26-E31 HydrophobicContact CZ-CG 4.34Å; E31-R34 WeakPolarHBondContact OE1-CB 3.07Å; E31-R34 IonicContact OE1-CZ 3.37Å; E31-R34 VanDerWaalsContact OE1-CZ 3.23Å; E31-R34 IonicContact OE1-NE 3.37Å; E31-R34 PolarHBondContact OE1-NE 2.98Å; E31-R34 IonicContact OE1-NH2 3.55Å; E31-R34 PolarHBondContact OE1-NH2 2.89Å; E31-R34 IonicContact OE2-CZ 3.97Å; E31-R34 IonicContact OE2-NE 2.9Å; E31-R34 IonicContact OE2-NH2 3.41Å; E31-R34 PolarHBondContact OE2-NH2 3.2Å; E31-V45 HydrophobicContact CB-CG1 4.43Å; E31-V45 HydrophobicContact CG-CB 4.43Å; E31-V45 HydrophobicContact CG-CG2 3.98Å; E31-V45 WeakPolarHBondContact O-CB 3.4Å; E31-V45 WeakPolarHBondContact O-CG1 3.34Å; E31-T46 WeakPolarHBondContact O-CG2 3.25Å
32Y98.4Very high97.9Very high22 Ų2246.6 Ų46.69%0.08622%0.222CC..EExtended strand (participates in β ladder)trans-108.6-30.1-176.766.8-84.2000113E4 Y25 E30 V45 T46 L48 G49E4-Y32 PolarHBondContact OE1-OH 2.62Å; Y25-Y32 VanDerWaalsContact C-CE1 3.43Å; Y25-Y32 WeakPolarHBondContact O-CD1 3.23Å; Y25-Y32 PolarHBondContact O-N 3.25Å; E30-Y32 PolarHBondContact O-N 3.35Å; Y32-V45 PolarHBondContact O-N 2.9Å; Y32-T46 WeakPolarHBondContact CA-OG1 3.38Å; Y32-T46 WeakPolarHBondContact CB-OG1 3.46Å; Y32-T46 PolarHBondContact O-N 3.16Å; Y32-L48 HydrophobicContact CG-CD2 4.47Å; Y32-G49 WeakPolarHBondContact O-CA 3.35Å
33V98.7Very high97.9Very high4 Ų453 Ų532%0.02425%0.246CC..EExtended strand (participates in β ladder)trans-147.4148.6175.966.50000110.8Y25 Y42 R43 A53Y25-V33 HydrophobicContact CD2-CG1 3.83Å; Y25-V33 HydrophobicContact CG-CG1 3.94Å; Y25-V33 PolarHBondContact N-O 2.84Å; V33-Y42 HydrophobicContact CG2-CD1 4.14Å; V33-R43 WeakPolarHBondContact CA-O 3.29Å; V33-R43 WeakPolarHBondContact CG2-O 3.26Å; V33-A53 HydrophobicContact CG2-CB 3.98Å
34R98.6Very high97.9Very high73 Ų7354.8 Ų54.828%0.27526%0.261SS..EExtended strand (participates in β ladder)trans-140.1150173.565.6175.366.11623112.5D23 R24 E31 Y42 R43 V45D23-R34 CarbonylContact O-C 3.46Å; D23-R34 WeakPolarHBondContact O-CA 3.2Å; R24-R34 HydrophobicContact CG-CB 4.2Å; E31-R34 WeakPolarHBondContact OE1-CB 3.07Å; E31-R34 IonicContact OE1-CZ 3.37Å; E31-R34 VanDerWaalsContact OE1-CZ 3.23Å; E31-R34 IonicContact OE1-NE 3.37Å; E31-R34 PolarHBondContact OE1-NE 2.98Å; E31-R34 IonicContact OE1-NH2 3.55Å; E31-R34 PolarHBondContact OE1-NH2 2.89Å; E31-R34 IonicContact OE2-CZ 3.97Å; E31-R34 IonicContact OE2-NE 2.9Å; E31-R34 IonicContact OE2-NH2 3.41Å; E31-R34 PolarHBondContact OE2-NH2 3.2Å; R34-Y42 CarbonylContact O-C 3.47Å; R34-Y42 VanDerWaalsContact O-CA 3.23Å; R34-Y42 WeakPolarHBondContact O-CA 3.48Å; R34-R43 PolarHBondContact N-O 2.75Å; R34-R43 PolarHBondContact O-N 2.77Å; R34-V45 HydrophobicContact CG-CG2 4.03Å
35F98.6Very high97.9Very high0 Ų055.4 Ų55.40%027%0.271CS..EExtended strand (participates in β ladder)trans-101.1137.1155.5175.5-85.9000108.8F21 D23 G40 Y42 L63 R66 R67F21-F35 HydrophobicContact CD1-CD1 4.18Å; F21-F35 HydrophobicContact CD1-CE1 4.27Å; F21-F35 HydrophobicContact CE1-CD1 4.4Å; D23-F35 HydrophobicContact CB-CB 4.17Å; D23-F35 PolarHBondContact N-O 3.26Å; D23-F35 PolarHBondContact O-N 2.85Å; F35-G40 VanDerWaalsContact CE2-C 3.45Å; F35-Y42 HydrophobicContact CB-CD1 3.72Å; F35-Y42 HydrophobicContact CB-CD2 4.44Å; F35-Y42 HydrophobicContact CB-CE1 3.6Å; F35-Y42 HydrophobicContact CB-CE2 4.33Å; F35-Y42 HydrophobicContact CB-CG 4.15Å; F35-Y42 HydrophobicContact CD2-CD2 4.16Å; F35-Y42 HydrophobicContact CD2-CE2 4.16Å; F35-L63 HydrophobicContact CD2-CD2 4.33Å; F35-L63 HydrophobicContact CE2-CD2 4.13Å; F35-R66 HydrophobicContact CD1-CB 4.12Å; F35-R66 HydrophobicContact CD2-CB 3.93Å; F35-R66 HydrophobicContact CE1-CB 3.88Å; F35-R66 WeakPolarHBondContact CE1-O 3.41Å; F35-R66 HydrophobicContact CE2-CB 3.67Å; F35-R66 HydrophobicContact CG-CB 4.16Å; F35-R66 HydrophobicContact CZ-CB 3.66Å; F35-R67 HydrophobicContact CE2-CG 4.32Å; F35-R67 HydrophobicContact CZ-CG 3.85Å
36D98.5Very high97.8Very high15 Ų1554.3 Ų54.38%0.0827%0.27CS..EExtended strand (participates in β ladder)trans-127.2120.9177.1-175-13.6000108.9R20 L22 D38 V39 G40R20-D36 IonicContact CZ-OD1 3.63Å; R20-D36 IonicContact CZ-OD2 3.26Å; R20-D36 IonicContact NE-OD1 3.57Å; R20-D36 PolarHBondContact NE-OD1 2.95Å; R20-D36 IonicContact NE-OD2 2.69Å; R20-D36 PolarHBondContact NE-OD2 3.43Å; R20-D36 IonicContact NH2-OD1 3.05Å; R20-D36 IonicContact NH2-OD2 3.18Å; R20-D36 PolarHBondContact NH2-OD2 2.82Å; L22-D36 HydrophobicContact CD2-CB 3.68Å; L22-D36 VanDerWaalsContact CD2-CG 3.41Å; D36-D38 PolarHBondContact O-N 3.07Å; D36-D38 PolarHBondContact OD1-N 2.95Å; D36-V39 HydrophobicContact CB-CB 4.19Å; D36-V39 HydrophobicContact CB-CG2 4.06Å; D36-V39 CarbonylContact O-C 3.54Å; D36-V39 WeakPolarHBondContact O-CA 3.42Å; D36-V39 PolarHBondContact O-N 2.8Å; D36-G40 PolarHBondContact O-N 3.4Å
37S98.3Very high97.8Very high26 Ų2660.3 Ų60.318%0.18230%0.298CS..THydrogen-bonded Turntrans-61.8-27.9-17865.10000113.4R20 F21 V39 V70R20-S37 WeakPolarHBondContact CA-OG 3.45Å; F21-S37 PolarHBondContact N-OG 3.37Å; F21-S37 PolarHBondContact O-N 2.9Å; F21-S37 PolarHBondContact O-OG 2.89Å; S37-V39 PolarHBondContact O-N 2.77Å; S37-V70 VanDerWaalsContact CB-CG2 3.41Å
38D97.8Very high97.8Very high80 Ų8060.8 Ų60.843%0.42831%0.307SS..THydrogen-bonded Turntrans-70.6-22176.6-77.213.8000111.1R18 D36R18-D38 IonicContact CZ-OD2 3.71Å; R18-D38 IonicContact NH2-OD2 2.89Å; R18-D38 PolarHBondContact NH2-OD2 2.94Å; D36-D38 PolarHBondContact O-N 3.07Å; D36-D38 PolarHBondContact OD1-N 2.95Å
39V98.1Very high97.9Very high79 Ų7957.2 Ų57.248%0.47929%0.287SS..THydrogen-bonded Turntrans-98.6-34.4176.8-178.40000111.6D36 S37 E41 R43D36-V39 HydrophobicContact CB-CB 4.19Å; D36-V39 HydrophobicContact CB-CG2 4.06Å; D36-V39 CarbonylContact O-C 3.54Å; D36-V39 WeakPolarHBondContact O-CA 3.42Å; D36-V39 PolarHBondContact O-N 2.8Å; S37-V39 PolarHBondContact O-N 2.77Å; V39-E41 HydrophobicContact CG1-CG 3.89Å; V39-R43 HydrophobicContact CG1-CG 4.47Å
40G97.8Very high98.1Very high9 Ų955.5 Ų55.59%0.09327%0.274CS..THydrogen-bonded Turntrans80.914.9176.600000115.3F35 D36 R67F35-G40 VanDerWaalsContact CE2-C 3.45Å; D36-G40 PolarHBondContact O-N 3.4Å; G40-R67 VanDerWaalsContact O-CZ 3.28Å; G40-R67 PolarHBondContact O-NE 3.49Å; G40-R67 PolarHBondContact O-NH2 3.14Å
41E98.3Very high98.1Very high55 Ų5553.8 Ų53.826%0.25727%0.273SS..EExtended strand (participates in β ladder)trans-156.6167.4179.159.6175.9-154.900112.2V39 R43 N57 L63V39-E41 HydrophobicContact CG1-CG 3.89Å; E41-R43 IonicContact OE1-CZ 3.87Å; E41-R43 IonicContact OE1-NE 3.23Å; E41-R43 PolarHBondContact OE1-NE 2.81Å; E41-R43 IonicContact OE1-NH2 3.66Å; E41-R43 PolarHBondContact OE1-NH2 2.83Å; E41-N57 WeakPolarHBondContact CB-OD1 3.48Å; E41-L63 HydrophobicContact CB-CD2 4.28Å
42Y98.5Very high98.1Very high15 Ų1555.3 Ų55.36%0.05929%0.286CS..EExtended strand (participates in β ladder)trans-75.3137174.2-71.4-88.4000111.3Y25 V33 R34 F35 N57 L63 R66Y25-Y42 AromaticContact CE2-CE1 3.95Å; Y25-Y42 HydrophobicContact CE2-CE1 3.95Å; V33-Y42 HydrophobicContact CG2-CD1 4.14Å; R34-Y42 CarbonylContact O-C 3.47Å; R34-Y42 VanDerWaalsContact O-CA 3.23Å; R34-Y42 WeakPolarHBondContact O-CA 3.48Å; F35-Y42 HydrophobicContact CB-CD1 3.72Å; F35-Y42 HydrophobicContact CB-CD2 4.44Å; F35-Y42 HydrophobicContact CB-CE1 3.6Å; F35-Y42 HydrophobicContact CB-CE2 4.33Å; F35-Y42 HydrophobicContact CB-CG 4.15Å; F35-Y42 HydrophobicContact CD2-CD2 4.16Å; F35-Y42 HydrophobicContact CD2-CE2 4.16Å; Y42-N57 WeakPolarHBondContact CB-OD1 3.43Å; Y42-N57 PolarHBondContact N-OD1 3.2Å; Y42-N57 PolarHBondContact O-ND2 2.94Å; Y42-L63 HydrophobicContact CD2-CD2 3.96Å; Y42-L63 HydrophobicContact CE2-CD2 4.29Å; Y42-R66 HydrophobicContact CE2-CG 4.19Å; Y42-R66 VanDerWaalsContact OH-CD 3.3Å; Y42-R66 WeakPolarHBondContact OH-CD 3.02Å; Y42-R66 WeakPolarHBondContact OH-CG 3.16Å; Y42-R66 PolarHBondContact OH-NE 3.22Å
43R98.6Very high98.1Very high145 Ų14554.6 Ų54.655%0.54729%0.285SS..EExtended strand (participates in β ladder)trans-128.5130.5174-69-67.7-178157-1109.7V33 R34 V39 E41 V45V33-R43 WeakPolarHBondContact CA-O 3.29Å; V33-R43 WeakPolarHBondContact CG2-O 3.26Å; R34-R43 PolarHBondContact N-O 2.75Å; R34-R43 PolarHBondContact O-N 2.77Å; V39-R43 HydrophobicContact CG1-CG 4.47Å; E41-R43 IonicContact OE1-CZ 3.87Å; E41-R43 IonicContact OE1-NE 3.23Å; E41-R43 PolarHBondContact OE1-NE 2.81Å; E41-R43 IonicContact OE1-NH2 3.66Å; E41-R43 PolarHBondContact OE1-NH2 2.83Å; R43-V45 PolarHBondContact O-N 3.44Å
44A98.4Very high98Very high44 Ų4460.3 Ų60.336%0.36431%0.311SS..EExtended strand (participates in β ladder)trans-66.8128.8169.800000109R50 A53A44-R50 HydrophobicContact CB-CB 4.36Å; A44-A53 HydrophobicContact CB-CB 4.22Å
45V98.3Very high98Very high67 Ų6763.9 Ų63.941%0.40633%0.326SS..SBendtrans-88.8-33173.2179.30000109.7E31 Y32 R34 R43E31-V45 HydrophobicContact CB-CG1 4.43Å; E31-V45 HydrophobicContact CG-CB 4.43Å; E31-V45 HydrophobicContact CG-CG2 3.98Å; E31-V45 WeakPolarHBondContact O-CB 3.4Å; E31-V45 WeakPolarHBondContact O-CG1 3.34Å; Y32-V45 PolarHBondContact O-N 2.9Å; R34-V45 HydrophobicContact CG-CG2 4.03Å; R43-V45 PolarHBondContact O-N 3.44Å
46T97.8Very high97.9Very high31 Ų3164.2 Ų64.219%0.1933%0.329CS..SBendtrans-129.5165.9175.770.30000109.7E30 E31 Y32 L48 G49E30-T46 HydrophobicContact CG-CG2 4.04Å; E30-T46 WeakPolarHBondContact OE1-CG2 3.4Å; E31-T46 WeakPolarHBondContact O-CG2 3.25Å; Y32-T46 WeakPolarHBondContact CA-OG1 3.38Å; Y32-T46 WeakPolarHBondContact CB-OG1 3.46Å; Y32-T46 PolarHBondContact O-N 3.16Å; T46-L48 PolarHBondContact O-N 2.87Å; T46-L48 VanDerWaalsContact O-N 3.16Å; T46-G49 PolarHBondContact O-N 2.94Å
47E97.1Very high97.9Very high139 Ų13965.1 Ų65.165%0.6533%0.334SS*.G310 helixtrans-57.1-32.2179.2-68.7-64.2112.500112.8G49 R50E47-G49 PolarHBondContact O-N 2.97Å; E47-R50 WeakPolarHBondContact O-CB 3.38Å; E47-R50 PolarHBondContact O-N 3.47Å; E47-R50 IonicContact OE1-CZ 2.97Å; E47-R50 IonicContact OE1-NH2 2.84Å; E47-R50 PolarHBondContact OE1-NH2 2.98Å; E47-R50 IonicContact OE2-CZ 3.88Å; E47-R50 VanDerWaalsContact OE2-CZ 3.3Å; E47-R50 IonicContact OE2-NE 3.92Å; E47-R50 IonicContact OE2-NH1 2.84Å; E47-R50 IonicContact OE2-NH2 2.66Å; E47-R50 PolarHBondContact OE2-NH2 2.8Å
48L95.7Very high97.9Very high103 Ų10367.6 Ų67.654%0.53935%0.351SS..G310 helixtrans-59.2-33.4177.2-178.266.1000112.4Y27 Y32 T46 P51Y27-L48 HydrophobicContact CD2-CD2 4.42Å; Y27-L48 HydrophobicContact CG-CD2 4.19Å; Y32-L48 HydrophobicContact CG-CD2 4.47Å; T46-L48 PolarHBondContact O-N 2.87Å; T46-L48 VanDerWaalsContact O-N 3.16Å; L48-P51 WeakPolarHBondContact O-CD 3.41Å
49G98Very high97.9Very high0 Ų065.9 Ų65.90%034%0.341CS..G310 helixtrans-85.5-3.6-177.500000115.5Y32 T46 E47 S52 A53Y32-G49 WeakPolarHBondContact O-CA 3.35Å; T46-G49 PolarHBondContact O-N 2.94Å; E47-G49 PolarHBondContact O-N 2.97Å; G49-S52 PolarHBondContact O-N 3.34Å; G49-A53 WeakPolarHBondContact O-CB 3.49Å; G49-A53 PolarHBondContact O-N 2.91Å
50R98.5Very high97.8Very high122 Ų12268.6 Ų68.646%0.4635%0.346SS..Hα-helixtrans-57.1-48.9-179.9-174.2-178-59.5178.44.4112.7A44 E47 S52 A53 E54A44-R50 HydrophobicContact CB-CB 4.36Å; E47-R50 WeakPolarHBondContact O-CB 3.38Å; E47-R50 PolarHBondContact O-N 3.47Å; E47-R50 IonicContact OE1-CZ 2.97Å; E47-R50 IonicContact OE1-NH2 2.84Å; E47-R50 PolarHBondContact OE1-NH2 2.98Å; E47-R50 IonicContact OE2-CZ 3.88Å; E47-R50 VanDerWaalsContact OE2-CZ 3.3Å; E47-R50 IonicContact OE2-NE 3.92Å; E47-R50 IonicContact OE2-NH1 2.84Å; E47-R50 IonicContact OE2-NH2 2.66Å; E47-R50 PolarHBondContact OE2-NH2 2.8Å; R50-S52 VanDerWaalsContact C-N 3.3Å; R50-S52 PolarHBondContact O-N 2.92Å; R50-A53 PolarHBondContact O-N 2.83Å; R50-E54 HydrophobicContact CG-CG 4.48Å; R50-E54 WeakPolarHBondContact CG-OE1 3.39Å; R50-E54 WeakPolarHBondContact O-CG 3.05Å; R50-E54 PolarHBondContact O-N 2.88Å
51P98.2Very high97.7Very high83 Ų8373 Ų7354%0.53937%0.367SS..Hα-helixtrans-62.5-37.9178.3-21.234.4000112.4L48 Y55L48-P51 WeakPolarHBondContact O-CD 3.41Å; P51-Y55 VanDerWaalsContact O-CB 3.26Å; P51-Y55 WeakPolarHBondContact O-CB 3.41Å; P51-Y55 PolarHBondContact O-N 2.69Å
52S97.5Very high97.5Very high49 Ų4972.7 Ų72.734%0.34337%0.367SS..Hα-helixtrans-66.6-41.2177.7-560000112.1G49 R50 G56G49-S52 PolarHBondContact O-N 3.34Å; R50-S52 VanDerWaalsContact C-N 3.3Å; R50-S52 PolarHBondContact O-N 2.92Å; S52-G56 PolarHBondContact O-N 3.26Å
53A98.3Very high97.5Very high8 Ų872.1 Ų72.17%0.06637%0.365CS..Hα-helixtrans-66.2-45.417700000111.6V33 A44 G49 R50 G56 N57V33-A53 HydrophobicContact CG2-CB 3.98Å; A44-A53 HydrophobicContact CB-CB 4.22Å; G49-A53 WeakPolarHBondContact O-CB 3.49Å; G49-A53 PolarHBondContact O-N 2.91Å; R50-A53 PolarHBondContact O-N 2.83Å; A53-G56 PolarHBondContact O-N 3.43Å; A53-N57 VanDerWaalsContact O-CB 3.29Å; A53-N57 WeakPolarHBondContact O-CB 3.43Å; A53-N57 PolarHBondContact O-N 2.87Å; A53-N57 PolarHBondContact O-ND2 3.43Å; A53-N57 VanDerWaalsContact O-ND2 3.16Å
54E98.3Very high97.4Very high124 Ų12471.3 Ų71.358%0.57937%0.367SS*.Hα-helixtrans-60.1-48.5176.3-72.9172-173.600111.5R50 N57 S58R50-E54 HydrophobicContact CG-CG 4.48Å; R50-E54 WeakPolarHBondContact CG-OE1 3.39Å; R50-E54 WeakPolarHBondContact O-CG 3.05Å; R50-E54 PolarHBondContact O-N 2.88Å; E54-N57 PolarHBondContact O-N 3.43Å; E54-S58 WeakPolarHBondContact O-CB 3.43Å; E54-S58 PolarHBondContact O-N 2.94Å
55Y97.7Very high97.3Very high147 Ų14774.6 Ų74.658%0.57638%0.379SS*.Hα-helixtrans-62.2-46.9177.7177.9-113.6000112.1P51 N57 S58 Q59P51-Y55 VanDerWaalsContact O-CB 3.26Å; P51-Y55 WeakPolarHBondContact O-CB 3.41Å; P51-Y55 PolarHBondContact O-N 2.69Å; Y55-N57 VanDerWaalsContact C-N 3.31Å; Y55-N57 PolarHBondContact O-N 3.35Å; Y55-S58 PolarHBondContact O-N 3.4Å; Y55-S58 PolarHBondContact O-OG 3.34Å; Y55-Q59 HydrophobicContact CE2-CG 4.49Å; Y55-Q59 PolarHBondContact O-N 3.45Å; Y55-Q59 PolarHBondContact O-NE2 3.49Å; Y55-Q59 PolarHBondContact OH-NE2 2.81Å; Y55-Q59 PolarHBondContact OH-OE1 3.46Å
56G96.9Very high97.3Very high7 Ų774.8 Ų74.87%0.07237%0.372CS..Hα-helixtrans-59.9-4117700000112.2S52 A53 S58 Q59S52-G56 PolarHBondContact O-N 3.26Å; A53-G56 PolarHBondContact O-N 3.43Å; G56-S58 VanDerWaalsContact C-N 3.34Å; G56-S58 PolarHBondContact O-N 3.25Å; G56-Q59 PolarHBondContact O-N 2.71Å
57N98.3Very high97.3Very high34 Ų3479.1 Ų79.118%0.18239%0.385CS..Hα-helixtrans-76.8-20.1-179.5-67.4-22.2000114.3E41 Y42 A53 E54 Y55 Q59 L63E41-N57 WeakPolarHBondContact CB-OD1 3.48Å; Y42-N57 WeakPolarHBondContact CB-OD1 3.43Å; Y42-N57 PolarHBondContact N-OD1 3.2Å; Y42-N57 PolarHBondContact O-ND2 2.94Å; A53-N57 VanDerWaalsContact O-CB 3.29Å; A53-N57 WeakPolarHBondContact O-CB 3.43Å; A53-N57 PolarHBondContact O-N 2.87Å; A53-N57 PolarHBondContact O-ND2 3.43Å; A53-N57 VanDerWaalsContact O-ND2 3.16Å; E54-N57 PolarHBondContact O-N 3.43Å; Y55-N57 VanDerWaalsContact C-N 3.31Å; Y55-N57 PolarHBondContact O-N 3.35Å; N57-Q59 VanDerWaalsContact C-N 3.34Å; N57-L63 HydrophobicContact CB-CD1 4.35Å; N57-L63 WeakPolarHBondContact O-CD1 3.46Å
58S98.1Very high97.4Very high78 Ų7874.4 Ų74.455%0.54537%0.37SS..Hα-helixtrans-74.4-25.4175.476.90000112.8E54 Y55 G56 K60E54-S58 WeakPolarHBondContact O-CB 3.43Å; E54-S58 PolarHBondContact O-N 2.94Å; Y55-S58 PolarHBondContact O-N 3.4Å; Y55-S58 PolarHBondContact O-OG 3.34Å; G56-S58 VanDerWaalsContact C-N 3.34Å; G56-S58 PolarHBondContact O-N 3.25Å; S58-K60 PolarHBondContact O-N 2.88Å
59Q97.5Very high97.5Very high45 Ų4571.2 Ų71.221%0.2135%0.353CS..  trans-92.4100.7-179.2-69.8176.6103.400110.2Y55 G56 N57 I62 L63Y55-Q59 HydrophobicContact CE2-CG 4.49Å; Y55-Q59 PolarHBondContact O-N 3.45Å; Y55-Q59 PolarHBondContact O-NE2 3.49Å; Y55-Q59 PolarHBondContact OH-NE2 2.81Å; Y55-Q59 PolarHBondContact OH-OE1 3.46Å; G56-Q59 PolarHBondContact O-N 2.71Å; N57-Q59 VanDerWaalsContact C-N 3.34Å; Q59-I62 HydrophobicContact CB-CB 4.01Å; Q59-I62 HydrophobicContact CB-CD1 3.87Å; Q59-I62 HydrophobicContact CB-CG1 3.96Å; Q59-I62 VanDerWaalsContact CD-CD1 3.41Å; Q59-I62 HydrophobicContact CG-CD1 4.25Å; Q59-I62 PolarHBondContact O-N 3.02Å; Q59-L63 PolarHBondContact O-N 3.47Å
60K96.1Very high97.5Very high136 Ų13672 Ų7259%0.59136%0.358SS*.Hα-helixtrans-68.9-39.6-172.1-65.4-58.8-178.9-164.40113.2S58 L63 E64S58-K60 PolarHBondContact O-N 2.88Å; K60-L63 PolarHBondContact O-N 2.04Å; K60-E64 WeakPolarHBondContact O-CB 3.16Å; K60-E64 WeakPolarHBondContact O-CG 3.2Å; K60-E64 PolarHBondContact O-N 3.13Å
61D96.8Very high97.5Very high100 Ų10070.5 Ų70.554%0.53536%0.359SS..Hα-helixtrans-56-49.4172.555.7-25.8000111.5L63 E64 D65D61-L63 PolarHBondContact O-N 2.96Å; D61-E64 PolarHBondContact O-N 3.48Å; D61-D65 PolarHBondContact O-N 3.39Å
62I94.2Very high97.5Very high49 Ų4970.7 Ų70.725%0.25136%0.359SS..Hα-helixtrans-63.6-42.7178.2-60.7-176.6000111.1Q59 E64 D65 R66Q59-I62 HydrophobicContact CB-CB 4.01Å; Q59-I62 HydrophobicContact CB-CD1 3.87Å; Q59-I62 HydrophobicContact CB-CG1 3.96Å; Q59-I62 VanDerWaalsContact CD-CD1 3.41Å; Q59-I62 HydrophobicContact CG-CD1 4.25Å; Q59-I62 PolarHBondContact O-N 3.02Å; I62-E64 PolarHBondContact O-N 3.49Å; I62-D65 PolarHBondContact O-N 2.97Å; I62-R66 HydrophobicContact CG2-CG 4.21Å; I62-R66 WeakPolarHBondContact O-CB 3.39Å; I62-R66 WeakPolarHBondContact O-CG 3.42Å; I62-R66 PolarHBondContact O-N 3.09Å
63L96.6Very high97.4Very high4 Ų473.6 Ų73.62%0.02136%0.363CS..Hα-helixtrans-62.8-41.5177.6-83.9-177.1000112.7F35 E41 Y42 N57 Q59 K60 D61 R66 R67F35-L63 HydrophobicContact CD2-CD2 4.33Å; F35-L63 HydrophobicContact CE2-CD2 4.13Å; E41-L63 HydrophobicContact CB-CD2 4.28Å; Y42-L63 HydrophobicContact CD2-CD2 3.96Å; Y42-L63 HydrophobicContact CE2-CD2 4.29Å; N57-L63 HydrophobicContact CB-CD1 4.35Å; N57-L63 WeakPolarHBondContact O-CD1 3.46Å; Q59-L63 PolarHBondContact O-N 3.47Å; K60-L63 PolarHBondContact O-N 2.04Å; D61-L63 PolarHBondContact O-N 2.96Å; L63-R66 PolarHBondContact O-N 2.94Å; L63-R67 WeakPolarHBondContact O-CD 3.3Å; L63-R67 WeakPolarHBondContact O-CG 3.34Å; L63-R67 PolarHBondContact O-N 3.32Å
64E97.5Very high97.4Very high127 Ų12773.2 Ų73.259%0.59336%0.36SS*.Hα-helixtrans-63.4-45.7176.5-74.7177.317800111K60 D61 I62 R66 R67 A68K60-E64 WeakPolarHBondContact O-CB 3.16Å; K60-E64 WeakPolarHBondContact O-CG 3.2Å; K60-E64 PolarHBondContact O-N 3.13Å; D61-E64 PolarHBondContact O-N 3.48Å; I62-E64 PolarHBondContact O-N 3.49Å; E64-R66 PolarHBondContact O-N 2.64Å; E64-R67 PolarHBondContact O-N 3.28Å; E64-A68 PolarHBondContact O-N 3.03Å
65D97.2Very high97.4Very high113 Ų11370.8 Ų70.860%0.60435%0.345SS*.Hα-helixtrans-59-45.3175.3-77.3-12.2000111.8D61 I62 R67 A68 L69D61-D65 PolarHBondContact O-N 3.39Å; I62-D65 PolarHBondContact O-N 2.97Å; D65-R67 VanDerWaalsContact C-N 3.34Å; D65-R67 PolarHBondContact O-N 3.4Å; D65-A68 WeakPolarHBondContact O-CB 3.48Å; D65-A68 PolarHBondContact O-N 3.43Å; D65-A68 VanDerWaalsContact O-N 3.14Å; D65-L69 PolarHBondContact O-N 3.42Å
66R97.4Very high97.3Very high72 Ų7269.2 Ų69.227%0.27234%0.343SS..Hα-helixtrans-64-38178.9-67.1-70.7170.8-168.7-9.5112.4D23 F35 Y42 I62 L63 E64 A68 L69D23-R66 IonicContact OD2-CZ 2.64Å; D23-R66 VanDerWaalsContact OD2-CZ 3.26Å; D23-R66 IonicContact OD2-NE 3.84Å; D23-R66 IonicContact OD2-NH1 3.72Å; D23-R66 PolarHBondContact OD2-NH1 2.82Å; F35-R66 HydrophobicContact CD1-CB 4.12Å; F35-R66 HydrophobicContact CD2-CB 3.93Å; F35-R66 HydrophobicContact CE1-CB 3.88Å; F35-R66 WeakPolarHBondContact CE1-O 3.41Å; F35-R66 HydrophobicContact CE2-CB 3.67Å; F35-R66 HydrophobicContact CG-CB 4.16Å; F35-R66 HydrophobicContact CZ-CB 3.66Å; Y42-R66 HydrophobicContact CE2-CG 4.19Å; Y42-R66 VanDerWaalsContact OH-CD 3.3Å; Y42-R66 WeakPolarHBondContact OH-CD 3.02Å; Y42-R66 WeakPolarHBondContact OH-CG 3.16Å; Y42-R66 PolarHBondContact OH-NE 3.22Å; I62-R66 HydrophobicContact CG2-CG 4.21Å; I62-R66 WeakPolarHBondContact O-CB 3.39Å; I62-R66 WeakPolarHBondContact O-CG 3.42Å; I62-R66 PolarHBondContact O-N 3.09Å; L63-R66 PolarHBondContact O-N 2.94Å; E64-R66 PolarHBondContact O-N 2.64Å; R66-A68 VanDerWaalsContact C-N 3.29Å; R66-A68 PolarHBondContact O-N 3.1Å; R66-L69 WeakPolarHBondContact O-CB 3.31Å; R66-L69 PolarHBondContact O-N 3.43Å
67R97.9Very high97.2Very high122 Ų12272.2 Ų72.246%0.4636%0.357SS..Hα-helixtrans-64.6-35.8174.4-71.4164.5-176.5179.5-1.4111.5F35 G40 L63 E64 D65 L69F35-R67 HydrophobicContact CE2-CG 4.32Å; F35-R67 HydrophobicContact CZ-CG 3.85Å; G40-R67 VanDerWaalsContact O-CZ 3.28Å; G40-R67 PolarHBondContact O-NE 3.49Å; G40-R67 PolarHBondContact O-NH2 3.14Å; L63-R67 WeakPolarHBondContact O-CD 3.3Å; L63-R67 WeakPolarHBondContact O-CG 3.34Å; L63-R67 PolarHBondContact O-N 3.32Å; E64-R67 PolarHBondContact O-N 3.28Å; D65-R67 VanDerWaalsContact C-N 3.34Å; D65-R67 PolarHBondContact O-N 3.4Å; R67-L69 VanDerWaalsContact C-N 3.28Å; R67-L69 PolarHBondContact O-N 2.92Å
68A98.3Very high97Very high39 Ų3974.9 Ų74.932%0.32237%0.366SS..Hα-helixtrans-71-19.4178.800000113.7E64 D65 R66 V70 D71 T72E64-A68 PolarHBondContact O-N 3.03Å; D65-A68 WeakPolarHBondContact O-CB 3.48Å; D65-A68 PolarHBondContact O-N 3.43Å; D65-A68 VanDerWaalsContact O-N 3.14Å; R66-A68 VanDerWaalsContact C-N 3.29Å; R66-A68 PolarHBondContact O-N 3.1Å; A68-V70 PolarHBondContact O-N 3.39Å; A68-V70 VanDerWaalsContact O-N 3.09Å; A68-D71 PolarHBondContact O-N 2.95Å; A68-T72 HydrophobicContact CB-CG2 4.21Å; A68-T72 PolarHBondContact O-N 3.25Å; A68-T72 PolarHBondContact O-OG1 3.01Å; A68-T72 VanDerWaalsContact O-OG1 3.1Å
69L98.1Very high96.8Very high37 Ų3772.8 Ų72.819%0.19436%0.356CS..Hα-helixtrans-61.2-20.8-177.7-68.7177.7000114.3F21 D65 R66 R67 D71 T72 Y73 C74F21-L69 HydrophobicContact CD1-CB 3.86Å; F21-L69 HydrophobicContact CD1-CD1 4.17Å; F21-L69 HydrophobicContact CE1-CB 3.89Å; F21-L69 HydrophobicContact CE1-CD1 3.35Å; F21-L69 HydrophobicContact CE1-CG 4.26Å; F21-L69 HydrophobicContact CE2-CD1 4.45Å; F21-L69 HydrophobicContact CG-CB 4.19Å; F21-L69 HydrophobicContact CZ-CB 4.25Å; F21-L69 HydrophobicContact CZ-CD1 3.53Å; D65-L69 PolarHBondContact O-N 3.42Å; R66-L69 WeakPolarHBondContact O-CB 3.31Å; R66-L69 PolarHBondContact O-N 3.43Å; R67-L69 VanDerWaalsContact C-N 3.28Å; R67-L69 PolarHBondContact O-N 2.92Å; L69-D71 VanDerWaalsContact C-N 3.26Å; L69-D71 PolarHBondContact O-N 3.43Å; L69-T72 WeakPolarHBondContact CA-OG1 3.45Å; L69-Y73 WeakPolarHBondContact O-CA 3.39Å; L69-Y73 VanDerWaalsContact O-CB 3.31Å; L69-Y73 WeakPolarHBondContact O-CB 3.46Å; L69-Y73 PolarHBondContact O-N 3.3Å; L69-Y73 VanDerWaalsContact O-N 3.1Å; L69-C74 PolarHBondContact O-N 3.49Å
70V98.4Very high96.5Very high16 Ų1674.2 Ų74.210%0.09737%0.367CS..Iπ-helixtrans-58.1-43.2171.7-172.70000110.6V19 F21 S37 A68 C74 R75V19-V70 HydrophobicContact CB-CG1 3.73Å; V19-V70 HydrophobicContact CG1-CG1 3.88Å; V19-V70 WeakPolarHBondContact O-CG1 3.38Å; F21-V70 HydrophobicContact CB-CG2 4.06Å; S37-V70 VanDerWaalsContact CB-CG2 3.41Å; A68-V70 PolarHBondContact O-N 3.39Å; A68-V70 VanDerWaalsContact O-N 3.09Å; V70-C74 WeakPolarHBondContact O-CB 3.41Å; V70-R75 VanDerWaalsContact CG1-NH1 3.35Å; V70-R75 PolarHBondContact O-N 2.86Å
71D98.1Very high96Very high91 Ų9169.4 Ų69.449%0.48736%0.357SS..Iπ-helixtrans-88.9-52.1-179.7-71.6-55.1000112A68 L69 Y73 R75 H76A68-D71 PolarHBondContact O-N 2.95Å; L69-D71 VanDerWaalsContact C-N 3.26Å; L69-D71 PolarHBondContact O-N 3.43Å; D71-Y73 VanDerWaalsContact C-N 3.3Å; D71-Y73 PolarHBondContact O-N 3.06Å; D71-R75 WeakPolarHBondContact OD1-CD 3.49Å; D71-R75 IonicContact OD1-CZ 2.7Å; D71-R75 IonicContact OD1-NE 2.62Å; D71-R75 IonicContact OD1-NH1 2.64Å; D71-R75 PolarHBondContact OD1-NH1 3.03Å; D71-R75 IonicContact OD2-NH1 3.71Å; D71-H76 PolarHBondContact O-N 2.89Å; D71-H76 VanDerWaalsContact O-N 3.13Å
72T97.6Very high95.4Very high86 Ų8669.7 Ų69.753%0.52836%0.355SS..Iπ-helixtrans-73.2-24.3-169.662.50000113A68 L69 H76A68-T72 HydrophobicContact CB-CG2 4.21Å; A68-T72 PolarHBondContact O-N 3.25Å; A68-T72 PolarHBondContact O-OG1 3.01Å; A68-T72 VanDerWaalsContact O-OG1 3.1Å; L69-T72 WeakPolarHBondContact CA-OG1 3.45Å; T72-H76 VanDerWaalsContact O-CB 3.23Å; T72-H76 WeakPolarHBondContact O-CB 3.33Å
73Y97.1Very high94.6Very high110 Ų11070 Ų7043%0.43136%0.362SS..Iπ-helixtrans-113.1-61178.5-177.1-99.2000111.7F21 L69 D71 N77F21-Y73 HydrophobicContact CE2-CD1 4.27Å; L69-Y73 WeakPolarHBondContact O-CA 3.39Å; L69-Y73 VanDerWaalsContact O-CB 3.31Å; L69-Y73 WeakPolarHBondContact O-CB 3.46Å; L69-Y73 PolarHBondContact O-N 3.3Å; L69-Y73 VanDerWaalsContact O-N 3.1Å; D71-Y73 VanDerWaalsContact C-N 3.3Å; D71-Y73 PolarHBondContact O-N 3.06Å; Y73-N77 VanDerWaalsContact CD2-ND2 3.27Å; Y73-N77 WeakPolarHBondContact CD2-ND2 3.43Å; Y73-N77 WeakPolarHBondContact CE2-ND2 3.48Å; Y73-N77 VanDerWaalsContact O-CB 3.24Å; Y73-N77 WeakPolarHBondContact O-CB 3.35Å; Y73-N77 VanDerWaalsContact O-CG 3.23Å; Y73-N77 PolarHBondContact O-N 3.09Å; Y73-N77 PolarHBondContact O-ND2 3.08Å; Y73-N77 VanDerWaalsContact O-ND2 3.11Å
74C98Very high93.1Very high0 Ų075.4 Ų75.40%039%0.385CS..Iπ-helixtrans-66.9-58-171.9-62.80000112.6C10 F12 V19 F21 L69 V70 H76 N77 Y78C10-C74 HydrophobicContact CB-CB 3.67Å; C10-C74 WeakPolarHBondContact CB-SG 3.28Å; C10-C74 WeakPolarHBondContact SG-CA 3.45Å; C10-C74 WeakPolarHBondContact SG-CB 3.46Å; C10-C74 CovalentContact SG-SG 2.04Å; C10-C74 PolarHBondContact SG-SG 2.93Å; F12-C74 HydrophobicContact CE1-CB 4.22Å; F12-C74 HydrophobicContact CZ-CB 3.98Å; F12-C74 WeakPolarHBondContact CZ-O 3.36Å; V19-C74 HydrophobicContact CG1-CB 3.53Å; F21-C74 VanDerWaalsContact CD2-SG 3.58Å; L69-C74 PolarHBondContact O-N 3.49Å; V70-C74 WeakPolarHBondContact O-CB 3.41Å; C74-H76 PolarHBondContact O-N 3.29Å; C74-N77 PolarHBondContact O-N 3.41Å; C74-Y78 WeakPolarHBondContact O-CB 3.36Å; C74-Y78 PolarHBondContact O-N 3.27Å
75R97.4Very high91.8Very high74 Ų7473.7 Ų73.728%0.27938%0.383SS..Iπ-helixtrans-64.9-40.2179.4-70.7-170.4-177.895.22.1112T16 V19 V70 D71 Y78 G79T16-R75 HydrophobicContact CG2-CG 4.41Å; T16-R75 PolarHBondContact O-NE 2.66Å; T16-R75 VanDerWaalsContact O-NE 3.13Å; V19-R75 HydrophobicContact CG2-CG 3.87Å; V70-R75 VanDerWaalsContact CG1-NH1 3.35Å; V70-R75 PolarHBondContact O-N 2.86Å; D71-R75 WeakPolarHBondContact OD1-CD 3.49Å; D71-R75 IonicContact OD1-CZ 2.7Å; D71-R75 IonicContact OD1-NE 2.62Å; D71-R75 IonicContact OD1-NH1 2.64Å; D71-R75 PolarHBondContact OD1-NH1 3.03Å; D71-R75 IonicContact OD2-NH1 3.71Å; R75-Y78 PolarHBondContact O-N 3.49Å; R75-G79 PolarHBondContact O-N 3.21Å
76H95.9Very high90.2Very high114 Ų11472.2 Ų72.253%0.52838%0.378SS..Hα-helixtrans-55.1-54.7175.8-179.573.2000111.9D71 T72 C74 Y78 G79 V80D71-H76 PolarHBondContact O-N 2.89Å; D71-H76 VanDerWaalsContact O-N 3.13Å; T72-H76 VanDerWaalsContact O-CB 3.23Å; T72-H76 WeakPolarHBondContact O-CB 3.33Å; C74-H76 PolarHBondContact O-N 3.29Å; H76-Y78 VanDerWaalsContact C-N 3.35Å; H76-Y78 PolarHBondContact O-N 2.88Å; H76-G79 PolarHBondContact O-N 2.97Å; H76-V80 WeakPolarHBondContact O-CG2 3.24Å; H76-V80 PolarHBondContact O-N 3.07Å; H76-V80 VanDerWaalsContact O-N 3.07Å
77N95.5Very high88.4Confident70 Ų7076.7 Ų76.737%0.37440%0.402SS..Hα-helixtrans-67.7-34.6-178.3-71.2-30.2000112.6Y73 C74 V80 G81Y73-N77 VanDerWaalsContact CD2-ND2 3.27Å; Y73-N77 WeakPolarHBondContact CD2-ND2 3.43Å; Y73-N77 WeakPolarHBondContact CE2-ND2 3.48Å; Y73-N77 VanDerWaalsContact O-CB 3.24Å; Y73-N77 WeakPolarHBondContact O-CB 3.35Å; Y73-N77 VanDerWaalsContact O-CG 3.23Å; Y73-N77 PolarHBondContact O-N 3.09Å; Y73-N77 PolarHBondContact O-ND2 3.08Å; Y73-N77 VanDerWaalsContact O-ND2 3.11Å; C74-N77 PolarHBondContact O-N 3.41Å; N77-V80 PolarHBondContact O-N 2.89Å; N77-G81 PolarHBondContact O-N 3.03Å
78Y93.6Very high86.3Confident90 Ų9079.7 Ų79.735%0.35341%0.414SS..Hα-helixtrans-58.2-48.7173.2-172.2-79000111F12 T16 C74 R75 H76 V80 G81 E82F12-Y78 AromaticContact CD1-CD2 3.67Å; F12-Y78 HydrophobicContact CD1-CD2 3.67Å; F12-Y78 HydrophobicContact CD1-CE2 4.23Å; F12-Y78 HydrophobicContact CD1-CG 4.25Å; F12-Y78 HydrophobicContact CD2-CD2 4.13Å; F12-Y78 AromaticContact CE1-CD2 3.66Å; F12-Y78 HydrophobicContact CE1-CD2 3.66Å; F12-Y78 AromaticContact CE1-CG 3.95Å; F12-Y78 HydrophobicContact CE1-CG 3.95Å; F12-Y78 HydrophobicContact CE2-CD2 4.1Å; F12-Y78 AromaticContact CG-CD2 3.92Å; F12-Y78 HydrophobicContact CG-CD2 3.92Å; F12-Y78 HydrophobicContact CG-CE2 4.22Å; F12-Y78 AromaticContact CZ-CD2 3.88Å; F12-Y78 HydrophobicContact CZ-CD2 3.88Å; F12-Y78 HydrophobicContact CZ-CG 4.32Å; T16-Y78 HydrophobicContact CG2-CD1 3.45Å; T16-Y78 VanDerWaalsContact CG2-CD1 3.45Å; T16-Y78 HydrophobicContact CG2-CD2 4.39Å; T16-Y78 HydrophobicContact CG2-CE1 3.9Å; T16-Y78 HydrophobicContact CG2-CG 3.75Å; C74-Y78 WeakPolarHBondContact O-CB 3.36Å; C74-Y78 PolarHBondContact O-N 3.27Å; R75-Y78 PolarHBondContact O-N 3.49Å; H76-Y78 VanDerWaalsContact C-N 3.35Å; H76-Y78 PolarHBondContact O-N 2.88Å; Y78-V80 PolarHBondContact O-N 2.94Å; Y78-G81 PolarHBondContact O-N 3.44Å; Y78-E82 HydrophobicContact CE1-CB 4.49Å; Y78-E82 PolarHBondContact O-N 3.38Å
79G92.9Very high84Confident33 Ų3391.5 Ų91.534%0.3445%0.45SS..Hα-helixtrans-64.2-36.8178.700000113.6R75 H76 E82 S83R75-G79 PolarHBondContact O-N 3.21Å; H76-G79 PolarHBondContact O-N 2.97Å; G79-E82 PolarHBondContact O-N 3.01Å; G79-S83 WeakPolarHBondContact O-CB 3.27Å; G79-S83 PolarHBondContact O-N 3.45Å; G79-S83 PolarHBondContact O-OG 3.37Å
80V91Very high83.2Confident75 Ų7594.2 Ų94.246%0.45546%0.463SS..Hα-helixtrans-62.8-44.1172.9174.20000111H76 N77 Y78 S83 F84H76-V80 WeakPolarHBondContact O-CG2 3.24Å; H76-V80 PolarHBondContact O-N 3.07Å; H76-V80 VanDerWaalsContact O-N 3.07Å; N77-V80 PolarHBondContact O-N 2.89Å; Y78-V80 PolarHBondContact O-N 2.94Å; V80-S83 PolarHBondContact O-OG 3.26Å; V80-F84 WeakPolarHBondContact O-CB 3.47Å; V80-F84 PolarHBondContact O-N 3.13Å
81G87.4Confident82.5Confident36 Ų3698.3 Ų98.337%0.37148%0.482SS..Hα-helixtrans-66.3-41.8176.900000113.4N77 Y78 T85N77-G81 PolarHBondContact O-N 3.03Å; Y78-G81 PolarHBondContact O-N 3.44Å; G81-T85 WeakPolarHBondContact O-CG2 3.37Å; G81-T85 PolarHBondContact O-N 2.95Å; G81-T85 VanDerWaalsContact O-N 3.08Å; G81-T85 PolarHBondContact O-OG1 3.1Å
82E83.3Confident81.6Confident105 Ų10598.7 Ų98.749%0.49148%0.482SS..Hα-helixtrans-64-50.8177.6-167.8-168.6161.100111.2Y78 G79 F84 T85 V86Y78-E82 HydrophobicContact CE1-CB 4.49Å; Y78-E82 PolarHBondContact O-N 3.38Å; G79-E82 PolarHBondContact O-N 3.01Å; E82-F84 VanDerWaalsContact C-N 3.27Å; E82-F84 PolarHBondContact O-N 3.11Å; E82-T85 PolarHBondContact O-N 3.37Å; E82-T85 VanDerWaalsContact O-N 3.09Å; E82-T85 PolarHBondContact O-OG1 3.27Å; E82-V86 HydrophobicContact CG-CG2 3.98Å; E82-V86 WeakPolarHBondContact O-CB 3.23Å; E82-V86 WeakPolarHBondContact O-CG2 3.32Å; E82-V86 PolarHBondContact O-N 3.14Å
83S76.6Confident80.6Confident56 Ų5699.5 Ų99.539%0.39248%0.479SS..Hα-helixtrans-57.1-41.3179.256.40000112.3G79 V80 Q87G79-S83 WeakPolarHBondContact O-CB 3.27Å; G79-S83 PolarHBondContact O-N 3.45Å; G79-S83 PolarHBondContact O-OG 3.37Å; V80-S83 PolarHBondContact O-OG 3.26Å; S83-Q87 WeakPolarHBondContact O-CB 3.27Å; S83-Q87 VanDerWaalsContact O-CG 3.27Å; S83-Q87 WeakPolarHBondContact O-CG 3.32Å; S83-Q87 PolarHBondContact O-N 3.11Å; S83-Q87 VanDerWaalsContact O-N 3.11Å
84F65.5Low79.6Confident117 Ų11798.8 Ų98.851%0.51348%0.482SS..Hα-helixtrans-68.4-33.9177.8-169.8-100.2000113.8V80 E82 R88V80-F84 WeakPolarHBondContact O-CB 3.47Å; V80-F84 PolarHBondContact O-N 3.13Å; E82-F84 VanDerWaalsContact C-N 3.27Å; E82-F84 PolarHBondContact O-N 3.11Å; F84-R88 VanDerWaalsContact CE1-CZ 3.43Å; F84-R88 VanDerWaalsContact CE1-NH1 3.31Å; F84-R88 VanDerWaalsContact CZ-NH2 3.34Å; F84-R88 WeakPolarHBondContact O-CD 3.42Å; F84-R88 WeakPolarHBondContact O-CG 3.43Å
85T70.2Confident78.4Confident91 Ų91105.4 Ų105.456%0.55851%0.514SS*.Hα-helixtrans-84-32-179.351.60000113G81 E82G81-T85 WeakPolarHBondContact O-CG2 3.37Å; G81-T85 PolarHBondContact O-N 2.95Å; G81-T85 VanDerWaalsContact O-N 3.08Å; G81-T85 PolarHBondContact O-OG1 3.1Å; E82-T85 PolarHBondContact O-N 3.37Å; E82-T85 VanDerWaalsContact O-N 3.09Å; E82-T85 PolarHBondContact O-OG1 3.27Å
86V63.4Low77Confident83 Ų83107.6 Ų107.650%0.50353%0.531SS..Hα-helixtrans-76.5-41.9177.7174.50000111.8E82 R88 R89E82-V86 HydrophobicContact CG-CG2 3.98Å; E82-V86 WeakPolarHBondContact O-CB 3.23Å; E82-V86 WeakPolarHBondContact O-CG2 3.32Å; E82-V86 PolarHBondContact O-N 3.14Å; V86-R88 PolarHBondContact O-N 3.19Å; V86-R88 VanDerWaalsContact O-N 3.14Å; V86-R89 PolarHBondContact O-N 2.93Å
87Q59.5Low75.6Confident165 Ų165107.2 Ų107.277%0.77153%0.531SS*.THydrogen-bonded Turntrans-69-8.7178.6-71.3-177.3-7.100114.2S83S83-Q87 WeakPolarHBondContact O-CB 3.27Å; S83-Q87 VanDerWaalsContact O-CG 3.27Å; S83-Q87 WeakPolarHBondContact O-CG 3.32Å; S83-Q87 PolarHBondContact O-N 3.11Å; S83-Q87 VanDerWaalsContact O-N 3.11Å
88R55Low73.9Confident186 Ų186110.3 Ų110.370%0.70254%0.544SS*.THydrogen-bonded Turntrans-97.56.3178.3-76.9-178.5157.3-159.7-5.3113.9F84 V86F84-R88 VanDerWaalsContact CE1-CZ 3.43Å; F84-R88 VanDerWaalsContact CE1-NH1 3.31Å; F84-R88 VanDerWaalsContact CZ-NH2 3.34Å; F84-R88 WeakPolarHBondContact O-CD 3.42Å; F84-R88 WeakPolarHBondContact O-CG 3.43Å; V86-R88 PolarHBondContact O-N 3.19Å; V86-R88 VanDerWaalsContact O-N 3.14Å
89R48.5Very low72.1Confident286 Ų286112.1 Ų112.1100%1.07956%0.561SS**  trans-98.20168.2-72.2-175.4175.5-174.2-0.1110.3V86V86-R89 PolarHBondContact O-N 2.93Å

Retrieved 89 of 89 residues in 53.3 ms (Link to these results)

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