A0A090KI61_HUMAN Loading...

MHC class II antigen

AlphaFold DB (G8GB36), UniProt , Accession A0A090KI61, 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
1R83.3Confident95.8Very high285 Ų28591.8 Ų91.8100%1.07544%0.444SS*.  0129.20178.1177.5178.4-178.70.3107
2F91.6Very high95.8Very high110 Ų11089.9 Ų89.948%0.48243%0.432SS..  trans-81.7141.1175.4168-121.6000110.2E4 Y27 N28F2-E4 HydrophobicContact CE1-CB 4.19Å; F2-E4 HydrophobicContact CE2-CB 3.9Å; F2-E4 HydrophobicContact CZ-CB 3.44Å; F2-E4 VanDerWaalsContact CZ-CB 3.44Å; F2-E4 HydrophobicContact CZ-CG 4.43Å; F2-Y27 HydrophobicContact CD2-CD2 4.25Å; F2-Y27 HydrophobicContact CD2-CE1 4.27Å; F2-Y27 AromaticContact CD2-CE2 3.6Å; F2-Y27 HydrophobicContact CD2-CE2 3.6Å; F2-Y27 AromaticContact CD2-CZ 3.55Å; F2-Y27 AromaticContact CE2-CD2 3.32Å; F2-Y27 HydrophobicContact CE2-CD2 3.32Å; F2-Y27 HydrophobicContact CE2-CE1 4.24Å; F2-Y27 AromaticContact CE2-CE2 2.9Å; F2-Y27 HydrophobicContact CE2-CE2 2.9Å; F2-Y27 HydrophobicContact CE2-CG 4.12Å; F2-Y27 AromaticContact CE2-CZ 3.4Å; F2-Y27 VanDerWaalsContact CE2-CZ 3.4Å; F2-Y27 AromaticContact CZ-CD2 4Å; F2-Y27 HydrophobicContact CZ-CD2 4Å; F2-Y27 AromaticContact CZ-CE2 3.58Å; F2-Y27 HydrophobicContact CZ-CE2 3.58Å; F2-N28 WeakPolarHBondContact CA-OD1 3.23Å
3L96.4Very high95.7Very high80 Ų8090.4 Ų90.442%0.41943%0.431SS..  trans-138.4127.6173.9177.267.5000109.6Y5 N28L3-Y5 HydrophobicContact CD2-CD1 4.02Å; L3-Y5 HydrophobicContact CD2-CE1 4.04Å; L3-Y5 HydrophobicContact CG-CD1 3.97Å; L3-Y5 HydrophobicContact CG-CE1 4.42Å; L3-N28 PolarHBondContact N-OD1 3.33Å; L3-N28 PolarHBondContact O-N 3.42Å
4E96.5Very high95.4Very high113 Ų11393.8 Ų93.853%0.52845%0.453SS..EExtended strand (participates in β ladder)trans-128.5135.1170.9174.3176.8-14400108.7F2 F26F2-E4 HydrophobicContact CE1-CB 4.19Å; F2-E4 HydrophobicContact CE2-CB 3.9Å; F2-E4 HydrophobicContact CZ-CB 3.44Å; F2-E4 VanDerWaalsContact CZ-CB 3.44Å; F2-E4 HydrophobicContact CZ-CG 4.43Å; E4-F26 WeakPolarHBondContact CA-O 3.37Å
5Y97.7Very high95Very high89 Ų8989.6 Ų89.635%0.34944%0.444SS..EExtended strand (participates in β ladder)trans-156.3164.1176.967-82.9000110.6L3 T7 F26L3-Y5 HydrophobicContact CD2-CD1 4.02Å; L3-Y5 HydrophobicContact CD2-CE1 4.04Å; L3-Y5 HydrophobicContact CG-CD1 3.97Å; L3-Y5 HydrophobicContact CG-CE1 4.42Å; Y5-T7 HydrophobicContact CD2-CG2 4.27Å; Y5-T7 HydrophobicContact CE2-CG2 4.18Å; Y5-F26 HydrophobicContact CD1-CB 3.93Å; Y5-F26 HydrophobicContact CD2-CB 4.29Å; 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 4.28Å; Y5-F26 HydrophobicContact CE1-CB 3.54Å; Y5-F26 HydrophobicContact CE1-CG 4.09Å; Y5-F26 HydrophobicContact CE2-CB 3.92Å; Y5-F26 HydrophobicContact CE2-CD1 4.33Å; Y5-F26 AromaticContact CE2-CD2 3.35Å; Y5-F26 HydrophobicContact CE2-CD2 3.35Å; Y5-F26 AromaticContact CE2-CE2 3.88Å; Y5-F26 HydrophobicContact CE2-CE2 3.88Å; Y5-F26 AromaticContact CE2-CG 3.62Å; Y5-F26 HydrophobicContact CE2-CG 3.62Å; Y5-F26 HydrophobicContact CG-CB 4.29Å; Y5-F26 AromaticContact CZ-CD2 3.8Å; Y5-F26 AromaticContact CZ-CG 3.51Å; Y5-F26 PolarHBondContact N-O 2.78Å; Y5-F26 PolarHBondContact O-N 2.83Å
6S97.8Very high94.9Very high69 Ų6987.5 Ų87.548%0.48344%0.438SS..EExtended strand (participates in β ladder)trans-127.8158.8172.558.60000111.6R24S6-R24 CarbonylContact C-O 3.45Å; S6-R24 WeakPolarHBondContact CA-O 3.48Å; S6-R24 VanDerWaalsContact CB-O 3.23Å; S6-R24 WeakPolarHBondContact CB-O 3.48Å
7T98.3Very high94.9Very high36 Ų3691.4 Ų91.422%0.22145%0.454CS..EExtended strand (participates in β ladder)trans-125.2137.5171.965.70000110.4Y5 E9 D23 R24 F26Y5-T7 HydrophobicContact CD2-CG2 4.27Å; Y5-T7 HydrophobicContact CE2-CG2 4.18Å; T7-E9 PolarHBondContact OG1-OE1 3.14Å; T7-D23 WeakPolarHBondContact O-CA 3.05Å; T7-R24 PolarHBondContact N-O 2.94Å; T7-R24 PolarHBondContact O-N 3.14Å; T7-F26 HydrophobicContact CG2-CE2 3.97Å
8G97.8Very high95Very high45 Ų4594.2 Ų94.246%0.46446%0.459SS..EExtended strand (participates in β ladder)trans-111.8101.1169.700000109.1L22G8-L22 CarbonylContact C-O 3.47Å; G8-L22 WeakPolarHBondContact CA-O 3.26Å
9E98.3Very high95.1Very high43 Ų4389.6 Ų89.620%0.20144%0.437CS..EExtended strand (participates in β ladder)trans-109.8132.7-169.7-59.5162.8176.700110.1T7 Y11 F21 L22 R24T7-E9 PolarHBondContact OG1-OE1 3.14Å; E9-Y11 HydrophobicContact CB-CD2 4.38Å; E9-Y11 HydrophobicContact CB-CE2 3.68Å; E9-Y11 PolarHBondContact OE2-OH 3.31Å; E9-F21 CarbonylContact O-C 3.57Å; E9-F21 WeakPolarHBondContact O-CA 3.47Å; E9-F21 WeakPolarHBondContact O-CD2 3.23Å; E9-L22 HydrophobicContact CB-CB 4.26Å; E9-L22 PolarHBondContact N-O 3.26Å; E9-L22 PolarHBondContact O-N 3.25Å; E9-R24 IonicContact OE1-NH1 2.62Å; E9-R24 PolarHBondContact OE1-NH1 2.69Å; E9-R24 WeakPolarHBondContact OE2-CD 3.27Å; E9-R24 IonicContact OE2-NH1 3.39Å; E9-R24 PolarHBondContact OE2-NH1 3.06Å
10C98.3Very high95.3Very high38 Ų3888.5 Ų88.526%0.25743%0.428SS..EExtended strand (participates in β ladder)trans-113.9121172.9-62.20000109.5F12 R20 C74C10-F12 HydrophobicContact CB-CD2 4.35Å; C10-F12 HydrophobicContact CB-CE2 3.45Å; C10-F12 VanDerWaalsContact CB-CE2 3.45Å; C10-F12 HydrophobicContact CB-CZ 3.59Å; C10-R20 WeakPolarHBondContact CA-O 3.42Å; C10-C74 HydrophobicContact CB-CB 3.67Å; C10-C74 WeakPolarHBondContact CB-SG 3.35Å; C10-C74 WeakPolarHBondContact SG-CA 3.47Å; C10-C74 WeakPolarHBondContact SG-CB 3.43Å; C10-C74 CovalentContact SG-SG 2.04Å; C10-C74 PolarHBondContact SG-SG 3.35Å
11Y97.6Very high95.5Very high102 Ų10284.6 Ų84.640%0.441%0.409SS..EExtended strand (participates in β ladder)trans-105.8124.6175.4-65.5-93.2000109.7E9 V19 R20 L22E9-Y11 HydrophobicContact CB-CD2 4.38Å; E9-Y11 HydrophobicContact CB-CE2 3.68Å; E9-Y11 PolarHBondContact OE2-OH 3.31Å; Y11-V19 WeakPolarHBondContact O-CA 3.37Å; Y11-R20 PolarHBondContact N-O 3.36Å; Y11-R20 PolarHBondContact O-N 3.29Å; Y11-L22 HydrophobicContact CD2-CD1 4.4Å; Y11-L22 HydrophobicContact CD2-CG 4.49Å; Y11-L22 HydrophobicContact CE2-CD1 3.71Å; Y11-L22 HydrophobicContact CE2-CG 4.16Å
12F95.8Very high96.2Very high69 Ų6971.4 Ų71.430%0.30336%0.359SS..EExtended strand (participates in β ladder)trans-112.7127.4-175.5-61.8-84000109.7C10 G15 T16 V19 C74 Y78C10-F12 HydrophobicContact CB-CD2 4.35Å; C10-F12 HydrophobicContact CB-CE2 3.45Å; C10-F12 VanDerWaalsContact CB-CE2 3.45Å; C10-F12 HydrophobicContact CB-CZ 3.59Å; F12-G15 WeakPolarHBondContact CB-O 3.43Å; F12-T16 HydrophobicContact CD1-CG2 4.34Å; F12-V19 HydrophobicContact CD1-CB 4.48Å; F12-V19 HydrophobicContact CD1-CG1 4.02Å; F12-V19 HydrophobicContact CD1-CG2 3.74Å; F12-V19 HydrophobicContact CE1-CG1 3.81Å; F12-V19 HydrophobicContact CE1-CG2 4.05Å; F12-C74 HydrophobicContact CE1-CB 4.14Å; F12-C74 HydrophobicContact CZ-CB 3.95Å; F12-C74 WeakPolarHBondContact CZ-O 3.39Å; F12-Y78 HydrophobicContact CB-CD2 4.43Å; F12-Y78 HydrophobicContact CB-CE2 4.23Å; F12-Y78 AromaticContact CD1-CD2 3.53Å; F12-Y78 HydrophobicContact CD1-CD2 3.53Å; F12-Y78 HydrophobicContact CD1-CE2 4.1Å; F12-Y78 HydrophobicContact CD1-CG 4.06Å; F12-Y78 AromaticContact CD2-CD2 3.9Å; F12-Y78 HydrophobicContact CD2-CD2 3.9Å; F12-Y78 HydrophobicContact CD2-CE2 4.33Å; F12-Y78 AromaticContact CE1-CD2 3.62Å; F12-Y78 HydrophobicContact CE1-CD2 3.62Å; F12-Y78 AromaticContact CE1-CG 3.87Å; F12-Y78 HydrophobicContact CE1-CG 3.87Å; F12-Y78 AromaticContact CE2-CD2 3.96Å; F12-Y78 HydrophobicContact CE2-CD2 3.96Å; F12-Y78 AromaticContact CG-CD2 3.69Å; F12-Y78 HydrophobicContact CG-CD2 3.69Å; F12-Y78 AromaticContact CG-CE2 3.96Å; F12-Y78 HydrophobicContact CG-CE2 3.96Å; F12-Y78 AromaticContact CZ-CD2 3.83Å; F12-Y78 HydrophobicContact CZ-CD2 3.83Å; F12-Y78 HydrophobicContact CZ-CG 4.27Å
13F94.8Very high96.5Very high96 Ų9666.6 Ų66.642%0.42134%0.339SS..EExtended strand (participates in β ladder)trans-121.9128.5177.6-54.2-89.4000109.1R18F13-R18 HydrophobicContact CB-CB 4.24Å; F13-R18 HydrophobicContact CD2-CB 4.42Å; F13-R18 HydrophobicContact CD2-CG 4.17Å; F13-R18 PolarHBondContact N-O 3Å; F13-R18 PolarHBondContact O-N 2.95Å
14N92.1Very high96.6Very high138 Ų13865.3 Ų65.374%0.73833%0.328SS*.THydrogen-bonded Turntrans49.958-174.8-59.7-19.9000112.1T16 E17N14-T16 PolarHBondContact O-N 3.49Å; N14-E17 HydrophobicContact CB-CB 4.31Å; N14-E17 WeakPolarHBondContact CB-OE2 3.45Å; N14-E17 PolarHBondContact ND2-OE2 3.41Å; N14-E17 PolarHBondContact O-N 2.92Å
15G89Confident96.7Very high31 Ų3161.7 Ų61.732%0.3231%0.31SS..THydrogen-bonded Turntrans69.3-125.4-170.300000110.6F12F12-G15 WeakPolarHBondContact CB-O 3.43Å
16T94Very high96.8Very high56 Ų5658.1 Ų58.134%0.34430%0.297SS..THydrogen-bonded Turntrans-104.612.4-18059.80000113.9F12 N14 R75 Y78F12-T16 HydrophobicContact CD1-CG2 4.34Å; N14-T16 PolarHBondContact O-N 3.49Å; T16-R75 HydrophobicContact CG2-CG 4.46Å; T16-R75 PolarHBondContact O-NE 2.96Å; T16-Y78 HydrophobicContact CG2-CD1 3.36Å; T16-Y78 HydrophobicContact CG2-CD2 4.44Å; T16-Y78 HydrophobicContact CG2-CE1 3.82Å; T16-Y78 HydrophobicContact CG2-CG 3.71Å
17E93.7Very high96.7Very high153 Ų15359.5 Ų59.572%0.71529%0.292SS*.THydrogen-bonded Turntrans-57.8-51.6179.2-174.4-175.1-178.200110.5N14N14-E17 HydrophobicContact CB-CB 4.31Å; N14-E17 WeakPolarHBondContact CB-OE2 3.45Å; N14-E17 PolarHBondContact ND2-OE2 3.41Å; N14-E17 PolarHBondContact O-N 2.92Å
18R96.8Very high96.6Very high142 Ų14261.3 Ų61.354%0.53630%0.3SS..EExtended strand (participates in β ladder)trans-121.1126.3169.7-179-179.8179.1-179.6-0.4109.8F13 D38F13-R18 HydrophobicContact CB-CB 4.24Å; F13-R18 HydrophobicContact CD2-CB 4.42Å; F13-R18 HydrophobicContact CD2-CG 4.17Å; F13-R18 PolarHBondContact N-O 3Å; F13-R18 PolarHBondContact O-N 2.95Å; R18-D38 IonicContact CZ-OD2 3.85Å; R18-D38 IonicContact NH2-OD2 2.79Å; R18-D38 PolarHBondContact NH2-OD2 2.9Å
19V98.1Very high96.5Very high8 Ų866.5 Ų66.55%0.04831%0.312CS..EExtended strand (participates in β ladder)trans-126.9132.6178.6-176.30000108.5Y11 F12 V70 C74 R75Y11-V19 WeakPolarHBondContact O-CA 3.37Å; F12-V19 HydrophobicContact CD1-CB 4.48Å; F12-V19 HydrophobicContact CD1-CG1 4.02Å; F12-V19 HydrophobicContact CD1-CG2 3.74Å; F12-V19 HydrophobicContact CE1-CG1 3.81Å; F12-V19 HydrophobicContact CE1-CG2 4.05Å; V19-V70 HydrophobicContact CB-CG1 3.72Å; V19-V70 HydrophobicContact CG1-CG1 3.85Å; V19-V70 WeakPolarHBondContact O-CG1 3.37Å; V19-C74 HydrophobicContact CG1-CB 3.53Å; V19-R75 HydrophobicContact CB-CG 4.49Å; V19-R75 HydrophobicContact CG2-CG 3.84Å
20R98.3Very high96.5Very high67 Ų6770.2 Ų70.225%0.25333%0.33SS..EExtended strand (participates in β ladder)trans-120.9130.5175.5178.1-179.8177.5-160-3.3109.6C10 Y11 D36 S37C10-R20 WeakPolarHBondContact CA-O 3.42Å; Y11-R20 PolarHBondContact N-O 3.36Å; Y11-R20 PolarHBondContact O-N 3.29Å; R20-D36 IonicContact CZ-OD1 3.65Å; R20-D36 IonicContact CZ-OD2 3.29Å; R20-D36 VanDerWaalsContact CZ-OD2 3.29Å; R20-D36 IonicContact NE-OD1 2.84Å; R20-D36 PolarHBondContact NE-OD1 3.22Å; R20-D36 IonicContact NE-OD2 3.32Å; R20-D36 PolarHBondContact NE-OD2 2.94Å; R20-D36 IonicContact NH2-OD1 3.69Å; R20-D36 IonicContact NH2-OD2 2.62Å; R20-D36 PolarHBondContact NH2-OD2 2.84Å; R20-S37 WeakPolarHBondContact CA-OG 3.38Å
21F98.6Very high96.5Very high7 Ų769.2 Ų69.23%0.03132%0.321CS..EExtended strand (participates in β ladder)trans-107.1131.7175.3176.7-107.8000110.3E9 D23 F35 S37 L69 V70 Y73 C74E9-F21 CarbonylContact O-C 3.57Å; E9-F21 WeakPolarHBondContact O-CA 3.47Å; E9-F21 WeakPolarHBondContact O-CD2 3.23Å; F21-D23 HydrophobicContact CE1-CB 3.71Å; F21-D23 HydrophobicContact CZ-CB 3.89Å; F21-F35 HydrophobicContact CD1-CD1 4.12Å; F21-F35 HydrophobicContact CD1-CE1 4.21Å; F21-F35 HydrophobicContact CE1-CD1 4.4Å; F21-S37 PolarHBondContact N-OG 3.14Å; F21-S37 PolarHBondContact O-N 2.78Å; F21-S37 PolarHBondContact O-OG 3.29Å; F21-L69 HydrophobicContact CD1-CB 3.9Å; F21-L69 HydrophobicContact CD1-CD1 4.15Å; F21-L69 HydrophobicContact CE1-CB 3.97Å; F21-L69 HydrophobicContact CE1-CD1 3.37Å; F21-L69 HydrophobicContact CE1-CG 4.31Å; F21-L69 HydrophobicContact CE2-CD1 4.33Å; F21-L69 HydrophobicContact CG-CB 4.17Å; F21-L69 HydrophobicContact CZ-CB 4.3Å; F21-L69 HydrophobicContact CZ-CD1 3.48Å; F21-L69 VanDerWaalsContact CZ-CD1 3.48Å; F21-V70 HydrophobicContact CB-CG2 4.07Å; F21-Y73 HydrophobicContact CE2-CD1 4.39Å; F21-C74 VanDerWaalsContact CD2-SG 3.59Å
22L98.6Very high96.6Very high7 Ų765.4 Ų65.44%0.03731%0.306CS..EExtended strand (participates in β ladder)trans-118.4130.1170.5-61.9-177.8000110G8 E9 Y11 R24 F35 D36G8-L22 CarbonylContact C-O 3.47Å; G8-L22 WeakPolarHBondContact CA-O 3.26Å; E9-L22 HydrophobicContact CB-CB 4.26Å; E9-L22 PolarHBondContact N-O 3.26Å; E9-L22 PolarHBondContact O-N 3.25Å; Y11-L22 HydrophobicContact CD2-CD1 4.4Å; Y11-L22 HydrophobicContact CD2-CG 4.49Å; Y11-L22 HydrophobicContact CE2-CD1 3.71Å; Y11-L22 HydrophobicContact CE2-CG 4.16Å; L22-R24 HydrophobicContact CB-CG 4.07Å; L22-F35 WeakPolarHBondContact CA-O 3.09Å; L22-D36 HydrophobicContact CD2-CB 3.68Å; L22-D36 VanDerWaalsContact CD2-CG 3.44Å; L22-D36 WeakPolarHBondContact CD2-OD1 3.23Å
23D98.6Very high96.7Very high10 Ų1062.1 Ų62.15%0.05329%0.292CS..EExtended strand (participates in β ladder)trans-115.8107.7168.2177.130.8000107.9T7 F21 Y25 R34 F35 Y42 R66T7-D23 WeakPolarHBondContact O-CA 3.05Å; F21-D23 HydrophobicContact CE1-CB 3.71Å; F21-D23 HydrophobicContact CZ-CB 3.89Å; D23-Y25 VanDerWaalsContact CG-CE2 3.47Å; D23-Y25 WeakPolarHBondContact OD1-CE2 3.39Å; D23-Y25 PolarHBondContact OD1-OH 2.99Å; D23-Y25 VanDerWaalsContact OD2-CE2 3.27Å; D23-Y25 WeakPolarHBondContact OD2-CE2 3.38Å; D23-Y25 PolarHBondContact OD2-OH 3.29Å; D23-R34 CarbonylContact O-C 3.54Å; D23-R34 VanDerWaalsContact O-CA 3.24Å; D23-R34 WeakPolarHBondContact O-CA 3.21Å; D23-F35 HydrophobicContact CB-CB 4.21Å; D23-F35 PolarHBondContact N-O 2.83Å; D23-F35 PolarHBondContact O-N 3.26Å; D23-Y42 PolarHBondContact OD2-OH 3.43Å; D23-R66 IonicContact OD2-CZ 3.8Å; D23-R66 IonicContact OD2-NE 3.22Å; D23-R66 PolarHBondContact OD2-NE 3.08Å; D23-R66 IonicContact OD2-NH2 3.74Å
24R98.6Very high96.9Very high52 Ų5261 Ų6120%0.19629%0.285CS..EExtended strand (participates in β ladder)trans-120.6138.4-167.8-58.2169.969.8-161.1-2.4110.2S6 T7 E9 L22 F26 E31 R34S6-R24 CarbonylContact C-O 3.45Å; S6-R24 WeakPolarHBondContact CA-O 3.48Å; S6-R24 VanDerWaalsContact CB-O 3.23Å; S6-R24 WeakPolarHBondContact CB-O 3.48Å; T7-R24 PolarHBondContact N-O 2.94Å; T7-R24 PolarHBondContact O-N 3.14Å; E9-R24 IonicContact OE1-NH1 2.62Å; E9-R24 PolarHBondContact OE1-NH1 2.69Å; E9-R24 WeakPolarHBondContact OE2-CD 3.27Å; E9-R24 IonicContact OE2-NH1 3.39Å; E9-R24 PolarHBondContact OE2-NH1 3.06Å; L22-R24 HydrophobicContact CB-CG 4.07Å; R24-F26 HydrophobicContact CB-CD2 4.5Å; R24-F26 HydrophobicContact CB-CE2 3.58Å; R24-F26 HydrophobicContact CB-CZ 3.91Å; R24-E31 WeakPolarHBondContact CG-OE1 3.4Å; R24-E31 IonicContact CZ-OE1 2.71Å; R24-E31 IonicContact CZ-OE2 2.73Å; R24-E31 VanDerWaalsContact NE-CD 3.26Å; R24-E31 IonicContact NE-OE1 3.23Å; R24-E31 PolarHBondContact NE-OE1 2.85Å; R24-E31 IonicContact NE-OE2 2.78Å; R24-E31 PolarHBondContact NE-OE2 3.04Å; R24-E31 IonicContact NH2-OE1 3.49Å; R24-E31 IonicContact NH2-OE2 3.87Å; R24-E31 PolarHBondContact NH2-OE2 3.17Å; R24-R34 HydrophobicContact CG-CB 4.11Å
25Y98.5Very high97.2Very high38 Ų3854.4 Ų54.415%0.14925%0.25CC..EExtended strand (participates in β ladder)trans-120135.4-178.9-61-105.1000110.5D23 E31 Y32 V33 Y42 W56D23-Y25 VanDerWaalsContact CG-CE2 3.47Å; D23-Y25 WeakPolarHBondContact OD1-CE2 3.39Å; D23-Y25 PolarHBondContact OD1-OH 2.99Å; D23-Y25 VanDerWaalsContact OD2-CE2 3.27Å; D23-Y25 WeakPolarHBondContact OD2-CE2 3.38Å; D23-Y25 PolarHBondContact OD2-OH 3.29Å; Y25-E31 WeakPolarHBondContact O-CA 3.4Å; Y25-Y32 VanDerWaalsContact C-CE1 3.45Å; Y25-Y32 VanDerWaalsContact CB-CE1 3.47Å; Y25-Y32 VanDerWaalsContact CB-CZ 3.48Å; Y25-Y32 WeakPolarHBondContact CB-OH 3.44Å; Y25-Y32 WeakPolarHBondContact O-CD1 3.22Å; Y25-Y32 PolarHBondContact O-N 2.88Å; Y25-V33 HydrophobicContact CD2-CG1 3.88Å; Y25-V33 HydrophobicContact CG-CG1 4.01Å; Y25-V33 PolarHBondContact N-O 3.21Å; Y25-Y42 AromaticContact CE2-CE1 3.98Å; Y25-Y42 HydrophobicContact CE2-CE1 3.98Å; Y25-W56 AromaticContact CD1-CH2 3.96Å; Y25-W56 HydrophobicContact CD1-CH2 3.96Å; Y25-W56 AromaticContact CD2-CH2 3.93Å; Y25-W56 HydrophobicContact CD2-CH2 3.93Å; Y25-W56 AromaticContact CD2-CZ3 3.9Å; Y25-W56 HydrophobicContact CD2-CZ3 3.9Å; Y25-W56 AromaticContact CE1-CH2 3.72Å; Y25-W56 HydrophobicContact CE1-CH2 3.72Å; Y25-W56 HydrophobicContact CE1-CZ2 4.39Å; Y25-W56 AromaticContact CE2-CH2 3.72Å; Y25-W56 HydrophobicContact CE2-CH2 3.72Å; Y25-W56 AromaticContact CE2-CZ3 3.74Å; Y25-W56 HydrophobicContact CE2-CZ3 3.74Å; Y25-W56 HydrophobicContact CG-CH2 4.08Å; Y25-W56 HydrophobicContact CG-CZ3 4.43Å; Y25-W56 AromaticContact CZ-CH2 3.63Å
26F98.5Very high97.7Very high14 Ų1453.7 Ų53.76%0.06124%0.239CC..EExtended strand (participates in β ladder)trans-126.3136.8-172.1-58.9-97.8000111.5E4 Y5 T7 R24 E30 E31E4-F26 WeakPolarHBondContact CA-O 3.37Å; Y5-F26 HydrophobicContact CD1-CB 3.93Å; Y5-F26 HydrophobicContact CD2-CB 4.29Å; 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 4.28Å; Y5-F26 HydrophobicContact CE1-CB 3.54Å; Y5-F26 HydrophobicContact CE1-CG 4.09Å; Y5-F26 HydrophobicContact CE2-CB 3.92Å; Y5-F26 HydrophobicContact CE2-CD1 4.33Å; Y5-F26 AromaticContact CE2-CD2 3.35Å; Y5-F26 HydrophobicContact CE2-CD2 3.35Å; Y5-F26 AromaticContact CE2-CE2 3.88Å; Y5-F26 HydrophobicContact CE2-CE2 3.88Å; Y5-F26 AromaticContact CE2-CG 3.62Å; Y5-F26 HydrophobicContact CE2-CG 3.62Å; Y5-F26 HydrophobicContact CG-CB 4.29Å; Y5-F26 AromaticContact CZ-CD2 3.8Å; Y5-F26 AromaticContact CZ-CG 3.51Å; Y5-F26 PolarHBondContact N-O 2.78Å; Y5-F26 PolarHBondContact O-N 2.83Å; T7-F26 HydrophobicContact CG2-CE2 3.97Å; R24-F26 HydrophobicContact CB-CD2 4.5Å; R24-F26 HydrophobicContact CB-CE2 3.58Å; R24-F26 HydrophobicContact CB-CZ 3.91Å; F26-E30 CarbonylContact C-O 3.44Å; F26-E30 VanDerWaalsContact CA-O 3.27Å; F26-E30 WeakPolarHBondContact CA-O 3.18Å; F26-E31 HydrophobicContact CD1-CB 3.72Å; F26-E31 HydrophobicContact CD1-CG 4.33Å; F26-E31 HydrophobicContact CE1-CB 3.59Å; F26-E31 HydrophobicContact CE1-CG 4.02Å; F26-E31 HydrophobicContact CZ-CB 4.35Å; F26-E31 HydrophobicContact CZ-CG 4.29Å
27Y97.1Very high97.9Very high97 Ų9752.3 Ų52.338%0.3823%0.231SC..EExtended strand (participates in β ladder)trans-120.1115.2171.8-171.5-85.2000107.9F2 Q29 E30 L48F2-Y27 HydrophobicContact CD2-CD2 4.25Å; F2-Y27 HydrophobicContact CD2-CE1 4.27Å; F2-Y27 AromaticContact CD2-CE2 3.6Å; F2-Y27 HydrophobicContact CD2-CE2 3.6Å; F2-Y27 AromaticContact CD2-CZ 3.55Å; F2-Y27 AromaticContact CE2-CD2 3.32Å; F2-Y27 HydrophobicContact CE2-CD2 3.32Å; F2-Y27 HydrophobicContact CE2-CE1 4.24Å; F2-Y27 AromaticContact CE2-CE2 2.9Å; F2-Y27 HydrophobicContact CE2-CE2 2.9Å; F2-Y27 HydrophobicContact CE2-CG 4.12Å; F2-Y27 AromaticContact CE2-CZ 3.4Å; F2-Y27 VanDerWaalsContact CE2-CZ 3.4Å; F2-Y27 AromaticContact CZ-CD2 4Å; F2-Y27 HydrophobicContact CZ-CD2 4Å; F2-Y27 AromaticContact CZ-CE2 3.58Å; F2-Y27 HydrophobicContact CZ-CE2 3.58Å; Y27-Q29 VanDerWaalsContact C-N 3.3Å; Y27-Q29 PolarHBondContact O-N 2.92Å; Y27-E30 PolarHBondContact N-O 3.45Å; Y27-E30 WeakPolarHBondContact O-CB 3.39Å; Y27-E30 PolarHBondContact O-N 3.46Å; Y27-L48 HydrophobicContact CD1-CD2 4.47Å; Y27-L48 HydrophobicContact CD2-CD2 4.49Å; Y27-L48 HydrophobicContact CG-CD2 4.15Å
28N95.9Very high98.1Very high74 Ų7448.7 Ų48.740%0.39622%0.217SC..THydrogen-bonded Turntrans49.646-175-62.6-37.6000114F2 L3 E30F2-N28 WeakPolarHBondContact CA-OD1 3.23Å; L3-N28 PolarHBondContact N-OD1 3.33Å; L3-N28 PolarHBondContact O-N 3.42Å; N28-E30 PolarHBondContact O-N 3.44Å
29Q95.6Very high98.2Very high154 Ų15445.7 Ų45.772%0.7221%0.214SC*.THydrogen-bonded Turntrans71.5-2.9-177.5-48.8170.734.900115.1Y27Y27-Q29 VanDerWaalsContact C-N 3.3Å; Y27-Q29 PolarHBondContact O-N 2.92Å
30E97.9Very high98.2Very high121 Ų12145.8 Ų45.857%0.56522%0.217SC*.EExtended strand (participates in β ladder)trans-91.2121.2172.8-171.6175.5-178.900109.7F26 Y27 N28 Y32 T46F26-E30 CarbonylContact C-O 3.44Å; F26-E30 VanDerWaalsContact CA-O 3.27Å; F26-E30 WeakPolarHBondContact CA-O 3.18Å; Y27-E30 PolarHBondContact N-O 3.45Å; Y27-E30 WeakPolarHBondContact O-CB 3.39Å; Y27-E30 PolarHBondContact O-N 3.46Å; N28-E30 PolarHBondContact O-N 3.44Å; E30-Y32 PolarHBondContact O-N 3.32Å; E30-T46 HydrophobicContact CG-CG2 4.07Å; E30-T46 VanDerWaalsContact OE1-CG2 3.27Å; E30-T46 WeakPolarHBondContact OE1-CG2 3.45Å
31E98.6Very high98.2Very high18 Ų1845.2 Ų45.28%0.08422%0.217CC..EExtended strand (participates in β ladder)trans-71123.4174.9-171.5-178.4177.400109.8R24 Y25 F26 R34 V45 T46R24-E31 WeakPolarHBondContact CG-OE1 3.4Å; R24-E31 IonicContact CZ-OE1 2.71Å; R24-E31 IonicContact CZ-OE2 2.73Å; R24-E31 VanDerWaalsContact NE-CD 3.26Å; R24-E31 IonicContact NE-OE1 3.23Å; R24-E31 PolarHBondContact NE-OE1 2.85Å; R24-E31 IonicContact NE-OE2 2.78Å; R24-E31 PolarHBondContact NE-OE2 3.04Å; R24-E31 IonicContact NH2-OE1 3.49Å; R24-E31 IonicContact NH2-OE2 3.87Å; R24-E31 PolarHBondContact NH2-OE2 3.17Å; Y25-E31 WeakPolarHBondContact O-CA 3.4Å; F26-E31 HydrophobicContact CD1-CB 3.72Å; F26-E31 HydrophobicContact CD1-CG 4.33Å; F26-E31 HydrophobicContact CE1-CB 3.59Å; F26-E31 HydrophobicContact CE1-CG 4.02Å; F26-E31 HydrophobicContact CZ-CB 4.35Å; F26-E31 HydrophobicContact CZ-CG 4.29Å; E31-R34 WeakPolarHBondContact OE1-CB 3.42Å; E31-R34 IonicContact OE1-CZ 2.99Å; E31-R34 IonicContact OE1-NE 3.08Å; E31-R34 PolarHBondContact OE1-NE 3.06Å; E31-R34 IonicContact OE1-NH2 3.1Å; E31-R34 PolarHBondContact OE1-NH2 3.29Å; E31-R34 VanDerWaalsContact OE1-NH2 3.08Å; E31-R34 IonicContact OE2-CZ 3.35Å; E31-R34 IonicContact OE2-NE 2.7Å; E31-R34 IonicContact OE2-NH2 3.5Å; E31-R34 PolarHBondContact OE2-NH2 3.34Å; E31-V45 HydrophobicContact CB-CG1 4.4Å; E31-V45 HydrophobicContact CG-CB 4.39Å; E31-V45 HydrophobicContact CG-CG2 3.98Å; E31-V45 WeakPolarHBondContact O-CB 3.49Å; E31-V45 WeakPolarHBondContact O-CG1 3.47Å; E31-T46 WeakPolarHBondContact O-CG2 3.44Å
32Y98.6Very high98.2Very high22 Ų2245 Ų459%0.08622%0.216CC..EExtended strand (participates in β ladder)trans-108.9-28.6-17767.5-85.3000113.4Y25 E30 V45 T46 L48 G49Y25-Y32 VanDerWaalsContact C-CE1 3.45Å; Y25-Y32 VanDerWaalsContact CB-CE1 3.47Å; Y25-Y32 VanDerWaalsContact CB-CZ 3.48Å; Y25-Y32 WeakPolarHBondContact CB-OH 3.44Å; Y25-Y32 WeakPolarHBondContact O-CD1 3.22Å; Y25-Y32 PolarHBondContact O-N 2.88Å; E30-Y32 PolarHBondContact O-N 3.32Å; Y32-V45 PolarHBondContact O-N 2.87Å; Y32-T46 WeakPolarHBondContact CA-OG1 3.4Å; Y32-T46 WeakPolarHBondContact CB-OG1 3.42Å; Y32-T46 PolarHBondContact O-N 2.95Å; Y32-L48 HydrophobicContact CD2-CG 4.46Å; Y32-L48 HydrophobicContact CG-CD2 4.3Å; Y32-G49 WeakPolarHBondContact O-CA 3.47Å
33V98.8Very high98.2Very high0 Ų051.5 Ų51.50%024%0.24CC..EExtended strand (participates in β ladder)trans-149.7147.1176.363.70000110.7Y25 Y42 R43 A53 W56Y25-V33 HydrophobicContact CD2-CG1 3.88Å; Y25-V33 HydrophobicContact CG-CG1 4.01Å; Y25-V33 PolarHBondContact N-O 3.21Å; V33-Y42 HydrophobicContact CG2-CD1 4.09Å; V33-R43 WeakPolarHBondContact CA-O 3.39Å; V33-A53 HydrophobicContact CG2-CB 4.01Å; V33-W56 HydrophobicContact CG1-CH2 4.19Å; V33-W56 HydrophobicContact CG1-CZ3 3.62Å; V33-W56 HydrophobicContact CG2-CE3 4.37Å; V33-W56 HydrophobicContact CG2-CZ3 4.14Å
34R98.8Very high98.2Very high72 Ų7253.1 Ų53.127%0.27225%0.254SS..EExtended strand (participates in β ladder)trans-139.9148.5175.471.1177.767177.86.3112.5D23 R24 E31 Y42 R43 V45D23-R34 CarbonylContact O-C 3.54Å; D23-R34 VanDerWaalsContact O-CA 3.24Å; D23-R34 WeakPolarHBondContact O-CA 3.21Å; R24-R34 HydrophobicContact CG-CB 4.11Å; E31-R34 WeakPolarHBondContact OE1-CB 3.42Å; E31-R34 IonicContact OE1-CZ 2.99Å; E31-R34 IonicContact OE1-NE 3.08Å; E31-R34 PolarHBondContact OE1-NE 3.06Å; E31-R34 IonicContact OE1-NH2 3.1Å; E31-R34 PolarHBondContact OE1-NH2 3.29Å; E31-R34 VanDerWaalsContact OE1-NH2 3.08Å; E31-R34 IonicContact OE2-CZ 3.35Å; E31-R34 IonicContact OE2-NE 2.7Å; E31-R34 IonicContact OE2-NH2 3.5Å; E31-R34 PolarHBondContact OE2-NH2 3.34Å; R34-Y42 CarbonylContact O-C 3.59Å; R34-Y42 WeakPolarHBondContact O-CA 3.24Å; R34-R43 PolarHBondContact N-O 2.67Å; R34-R43 PolarHBondContact O-N 3.09Å; R34-V45 HydrophobicContact CB-CG2 4.44Å; R34-V45 HydrophobicContact CG-CG2 4.09Å
35F98.8Very high98.2Very high0 Ų053.6 Ų53.60%026%0.263CS..EExtended strand (participates in β ladder)trans-99.3139154.7175-86000108.8F21 L22 D23 G40 Y42 L63 R66 R67F21-F35 HydrophobicContact CD1-CD1 4.12Å; F21-F35 HydrophobicContact CD1-CE1 4.21Å; F21-F35 HydrophobicContact CE1-CD1 4.4Å; L22-F35 WeakPolarHBondContact CA-O 3.09Å; D23-F35 HydrophobicContact CB-CB 4.21Å; D23-F35 PolarHBondContact N-O 2.83Å; D23-F35 PolarHBondContact O-N 3.26Å; F35-G40 VanDerWaalsContact CE2-C 3.44Å; F35-Y42 HydrophobicContact CB-CD1 3.61Å; F35-Y42 HydrophobicContact CB-CD2 4.22Å; F35-Y42 HydrophobicContact CB-CE1 3.44Å; F35-Y42 VanDerWaalsContact CB-CE1 3.44Å; F35-Y42 HydrophobicContact CB-CE2 4.07Å; F35-Y42 HydrophobicContact CB-CG 4.01Å; F35-Y42 HydrophobicContact CD2-CD2 4.09Å; F35-Y42 HydrophobicContact CD2-CE2 4.1Å; F35-Y42 HydrophobicContact CD2-CG 4.49Å; F35-Y42 HydrophobicContact CG-CE2 4.46Å; F35-L63 HydrophobicContact CD2-CD2 4.35Å; F35-L63 HydrophobicContact CE2-CD2 4.18Å; F35-R66 HydrophobicContact CD1-CB 4.12Å; F35-R66 HydrophobicContact CD2-CB 3.89Å; F35-R66 HydrophobicContact CE1-CB 3.91Å; F35-R66 WeakPolarHBondContact CE1-O 3.06Å; F35-R66 HydrophobicContact CE2-CB 3.66Å; F35-R66 HydrophobicContact CG-CB 4.12Å; F35-R66 HydrophobicContact CZ-CB 3.68Å; F35-R67 HydrophobicContact CE2-CG 4.29Å; F35-R67 HydrophobicContact CZ-CG 3.87Å
36D98.6Very high98.2Very high16 Ų1653.4 Ų53.49%0.08627%0.266CS..EExtended strand (participates in β ladder)trans-128.5121.2175.3-175.6-9.8000109R20 L22 D38 V39 G40R20-D36 IonicContact CZ-OD1 3.65Å; R20-D36 IonicContact CZ-OD2 3.29Å; R20-D36 VanDerWaalsContact CZ-OD2 3.29Å; R20-D36 IonicContact NE-OD1 2.84Å; R20-D36 PolarHBondContact NE-OD1 3.22Å; R20-D36 IonicContact NE-OD2 3.32Å; R20-D36 PolarHBondContact NE-OD2 2.94Å; R20-D36 IonicContact NH2-OD1 3.69Å; R20-D36 IonicContact NH2-OD2 2.62Å; R20-D36 PolarHBondContact NH2-OD2 2.84Å; L22-D36 HydrophobicContact CD2-CB 3.68Å; L22-D36 VanDerWaalsContact CD2-CG 3.44Å; L22-D36 WeakPolarHBondContact CD2-OD1 3.23Å; D36-D38 PolarHBondContact O-N 2.8Å; D36-D38 PolarHBondContact OD1-N 2.93Å; D36-V39 HydrophobicContact CB-CB 4.2Å; D36-V39 HydrophobicContact CB-CG2 3.92Å; D36-V39 CarbonylContact O-C 3.54Å; D36-V39 WeakPolarHBondContact O-CA 3.27Å; D36-V39 PolarHBondContact O-N 2.77Å; D36-G40 PolarHBondContact O-N 2.96Å
37S98.4Very high98.1Very high26 Ų2659 Ų5918%0.18229%0.292CS..THydrogen-bonded Turntrans-61.9-26.7-178.865.40000113.4R20 F21 V39R20-S37 WeakPolarHBondContact CA-OG 3.38Å; F21-S37 PolarHBondContact N-OG 3.14Å; F21-S37 PolarHBondContact O-N 2.78Å; F21-S37 PolarHBondContact O-OG 3.29Å; S37-V39 PolarHBondContact O-N 2.8Å
38D98.1Very high98.1Very high77 Ų7759.2 Ų59.241%0.41230%0.299SS..THydrogen-bonded Turntrans-71.1-21.1175.7-76.78.9000111.5R18 D36R18-D38 IonicContact CZ-OD2 3.85Å; R18-D38 IonicContact NH2-OD2 2.79Å; R18-D38 PolarHBondContact NH2-OD2 2.9Å; D36-D38 PolarHBondContact O-N 2.8Å; D36-D38 PolarHBondContact OD1-N 2.93Å
39V98.3Very high98.2Very high80 Ų8055.7 Ų55.749%0.48528%0.28SS..THydrogen-bonded Turntrans-98.4-36.7176.1-173.90000111.2D36 S37 E41D36-V39 HydrophobicContact CB-CB 4.2Å; D36-V39 HydrophobicContact CB-CG2 3.92Å; D36-V39 CarbonylContact O-C 3.54Å; D36-V39 WeakPolarHBondContact O-CA 3.27Å; D36-V39 PolarHBondContact O-N 2.77Å; S37-V39 PolarHBondContact O-N 2.8Å; V39-E41 HydrophobicContact CG1-CG 4.04Å
40G98.2Very high98.4Very high10 Ų1054.3 Ų54.310%0.10327%0.269CS..THydrogen-bonded Turntrans84.213.7177.100000115.3F35 D36 R67F35-G40 VanDerWaalsContact CE2-C 3.44Å; D36-G40 PolarHBondContact O-N 2.96Å; G40-R67 VanDerWaalsContact O-CZ 3.26Å; G40-R67 PolarHBondContact O-NE 3.29Å; G40-R67 PolarHBondContact O-NH2 2.71Å
41E98.6Very high98.4Very high54 Ų5452.5 Ų52.525%0.25227%0.267SS..EExtended strand (participates in β ladder)trans-157169.5178.965.7-176.6-167.100112.4V39 R43 L63V39-E41 HydrophobicContact CG1-CG 4.04Å; E41-R43 IonicContact OE1-CZ 2.91Å; E41-R43 IonicContact OE1-NE 2.62Å; E41-R43 PolarHBondContact OE1-NE 2.82Å; E41-R43 IonicContact OE1-NH2 3.04Å; E41-R43 PolarHBondContact OE1-NH2 2.93Å; E41-L63 HydrophobicContact CB-CD2 4.16Å
42Y98.6Very high98.4Very high2 Ų253.1 Ų53.11%0.00827%0.273CS..EExtended strand (participates in β ladder)trans-77.6136.1174.4-74.2-87000111.6D23 Y25 V33 R34 F35 W56 N57 I62 L63 R66D23-Y42 PolarHBondContact OD2-OH 3.43Å; Y25-Y42 AromaticContact CE2-CE1 3.98Å; Y25-Y42 HydrophobicContact CE2-CE1 3.98Å; V33-Y42 HydrophobicContact CG2-CD1 4.09Å; R34-Y42 CarbonylContact O-C 3.59Å; R34-Y42 WeakPolarHBondContact O-CA 3.24Å; F35-Y42 HydrophobicContact CB-CD1 3.61Å; F35-Y42 HydrophobicContact CB-CD2 4.22Å; F35-Y42 HydrophobicContact CB-CE1 3.44Å; F35-Y42 VanDerWaalsContact CB-CE1 3.44Å; F35-Y42 HydrophobicContact CB-CE2 4.07Å; F35-Y42 HydrophobicContact CB-CG 4.01Å; F35-Y42 HydrophobicContact CD2-CD2 4.09Å; F35-Y42 HydrophobicContact CD2-CE2 4.1Å; F35-Y42 HydrophobicContact CD2-CG 4.49Å; F35-Y42 HydrophobicContact CG-CE2 4.46Å; Y42-W56 HydrophobicContact CD1-CD2 4.45Å; Y42-W56 AromaticContact CD1-CE3 3.37Å; Y42-W56 HydrophobicContact CD1-CE3 3.37Å; Y42-W56 AromaticContact CD1-CZ3 3.74Å; Y42-W56 HydrophobicContact CD1-CZ3 3.74Å; Y42-W56 HydrophobicContact CD2-CB 3.55Å; Y42-W56 HydrophobicContact CD2-CD2 4.48Å; Y42-W56 HydrophobicContact CD2-CE3 4.08Å; Y42-W56 HydrophobicContact CD2-CG 4.35Å; Y42-W56 HydrophobicContact CE1-CD2 4.32Å; Y42-W56 AromaticContact CE1-CE3 3.41Å; Y42-W56 HydrophobicContact CE1-CE3 3.41Å; Y42-W56 VanDerWaalsContact CE1-CE3 3.41Å; Y42-W56 AromaticContact CE1-CZ3 3.58Å; Y42-W56 HydrophobicContact CE1-CZ3 3.58Å; Y42-W56 HydrophobicContact CE2-CB 3.84Å; Y42-W56 HydrophobicContact CE2-CD2 4.36Å; Y42-W56 HydrophobicContact CE2-CE3 4.11Å; Y42-W56 HydrophobicContact CE2-CG 4.31Å; Y42-W56 HydrophobicContact CG-CB 4.11Å; Y42-W56 AromaticContact CG-CE3 3.71Å; Y42-W56 HydrophobicContact CG-CE3 3.71Å; Y42-W56 AromaticContact CZ-CE3 3.79Å; Y42-N57 WeakPolarHBondContact CB-OD1 3.43Å; Y42-N57 PolarHBondContact N-OD1 3.18Å; Y42-N57 PolarHBondContact O-ND2 2.97Å; Y42-I62 HydrophobicContact CE2-CG2 4.39Å; Y42-L63 HydrophobicContact CD2-CD2 4.1Å; Y42-R66 HydrophobicContact CE2-CG 4.04Å; Y42-R66 WeakPolarHBondContact OH-CD 3.03Å; Y42-R66 WeakPolarHBondContact OH-CG 3.46Å; Y42-R66 PolarHBondContact OH-NE 2.7Å
43R98.7Very high98.4Very high145 Ų14552.4 Ų52.455%0.54727%0.272SS..EExtended strand (participates in β ladder)trans-127.2129.7174-68.9-65.6-176.6146.5-3.9110V33 R34 E41 V45V33-R43 WeakPolarHBondContact CA-O 3.39Å; R34-R43 PolarHBondContact N-O 2.67Å; R34-R43 PolarHBondContact O-N 3.09Å; E41-R43 IonicContact OE1-CZ 2.91Å; E41-R43 IonicContact OE1-NE 2.62Å; E41-R43 PolarHBondContact OE1-NE 2.82Å; E41-R43 IonicContact OE1-NH2 3.04Å; E41-R43 PolarHBondContact OE1-NH2 2.93Å; R43-V45 PolarHBondContact O-N 2.91Å
44A98.6Very high98.4Very high43 Ų4358.5 Ų58.536%0.35530%0.301SS..EExtended strand (participates in β ladder)trans-64.5128.3169.500000109.2R50 A53A44-R50 HydrophobicContact CB-CB 4.39Å; A44-A53 HydrophobicContact CB-CB 4.28Å
45V98.4Very high98.4Very high63 Ų6361.6 Ų61.638%0.38231%0.313SS..SBendtrans-90.1-32.4174-179.90000109.7E31 Y32 R34 R43E31-V45 HydrophobicContact CB-CG1 4.4Å; E31-V45 HydrophobicContact CG-CB 4.39Å; E31-V45 HydrophobicContact CG-CG2 3.98Å; E31-V45 WeakPolarHBondContact O-CB 3.49Å; E31-V45 WeakPolarHBondContact O-CG1 3.47Å; Y32-V45 PolarHBondContact O-N 2.87Å; R34-V45 HydrophobicContact CB-CG2 4.44Å; R34-V45 HydrophobicContact CG-CG2 4.09Å; R43-V45 PolarHBondContact O-N 2.91Å
46T98.2Very high98.3Very high33 Ų3363.8 Ų63.820%0.20232%0.322CS..SBendtrans-129.5167.6173.970.20000109.8E30 E31 Y32 L48 G49E30-T46 HydrophobicContact CG-CG2 4.07Å; E30-T46 VanDerWaalsContact OE1-CG2 3.27Å; E30-T46 WeakPolarHBondContact OE1-CG2 3.45Å; E31-T46 WeakPolarHBondContact O-CG2 3.44Å; Y32-T46 WeakPolarHBondContact CA-OG1 3.4Å; Y32-T46 WeakPolarHBondContact CB-OG1 3.42Å; Y32-T46 PolarHBondContact O-N 2.95Å; T46-L48 PolarHBondContact O-N 3.3Å; T46-L48 VanDerWaalsContact O-N 3.17Å; T46-G49 PolarHBondContact O-N 2.83Å
47E97.7Very high98.3Very high132 Ų13265 Ų6562%0.61733%0.329SS*.G310 helixtrans-56.8-31.8178.4-70.7-58.5149.900113.4G49 R50E47-G49 PolarHBondContact O-N 2.95Å; E47-R50 WeakPolarHBondContact O-CB 3.37Å; E47-R50 PolarHBondContact O-N 3.27Å; E47-R50 IonicContact OE1-CZ 3.99Å; E47-R50 IonicContact OE1-NH2 2.67Å; E47-R50 PolarHBondContact OE1-NH2 2.8Å; E47-R50 IonicContact OE2-CZ 3.09Å; E47-R50 IonicContact OE2-NE 3.09Å; E47-R50 PolarHBondContact OE2-NE 2.87Å; E47-R50 VanDerWaalsContact OE2-NE 3.09Å; E47-R50 IonicContact OE2-NH2 3.29Å; E47-R50 PolarHBondContact OE2-NH2 3.41Å
48L96.9Very high98.3Very high101 Ų10167.8 Ų67.853%0.52935%0.348SS..G310 helixtrans-59.9-32.7177.6-177.566000112.5Y27 Y32 T46 P51Y27-L48 HydrophobicContact CD1-CD2 4.47Å; Y27-L48 HydrophobicContact CD2-CD2 4.49Å; Y27-L48 HydrophobicContact CG-CD2 4.15Å; Y32-L48 HydrophobicContact CD2-CG 4.46Å; Y32-L48 HydrophobicContact CG-CD2 4.3Å; T46-L48 PolarHBondContact O-N 3.3Å; T46-L48 VanDerWaalsContact O-N 3.17Å; L48-P51 WeakPolarHBondContact O-CD 3.38Å
49G98.4Very high98.3Very high0 Ų066.1 Ų66.10%034%0.337CS..G310 helixtrans-85.9-6.8-177.500000115.7Y32 T46 E47 S52 A53Y32-G49 WeakPolarHBondContact O-CA 3.47Å; T46-G49 PolarHBondContact O-N 2.83Å; E47-G49 PolarHBondContact O-N 2.95Å; G49-S52 PolarHBondContact O-N 2.97Å; G49-A53 WeakPolarHBondContact O-CB 3.27Å; G49-A53 PolarHBondContact O-N 3.37Å
50R98.6Very high98.3Very high126 Ų12670 Ų7048%0.47535%0.348SS..Hα-helixtrans-53-52.8178.5-169.7-175.1-61.1-153.8-4.3113.2A44 E47 S52 A53 E54A44-R50 HydrophobicContact CB-CB 4.39Å; E47-R50 WeakPolarHBondContact O-CB 3.37Å; E47-R50 PolarHBondContact O-N 3.27Å; E47-R50 IonicContact OE1-CZ 3.99Å; E47-R50 IonicContact OE1-NH2 2.67Å; E47-R50 PolarHBondContact OE1-NH2 2.8Å; E47-R50 IonicContact OE2-CZ 3.09Å; E47-R50 IonicContact OE2-NE 3.09Å; E47-R50 PolarHBondContact OE2-NE 2.87Å; E47-R50 VanDerWaalsContact OE2-NE 3.09Å; E47-R50 IonicContact OE2-NH2 3.29Å; E47-R50 PolarHBondContact OE2-NH2 3.41Å; R50-S52 VanDerWaalsContact C-N 3.32Å; R50-S52 PolarHBondContact O-N 2.98Å; R50-A53 PolarHBondContact O-N 3.27Å; R50-E54 WeakPolarHBondContact CG-OE1 3.31Å; R50-E54 WeakPolarHBondContact O-CG 3.39Å; R50-E54 PolarHBondContact O-N 3.42Å
51P98.5Very high98.3Very high82 Ų8274.2 Ų74.253%0.53237%0.368SS..Hα-helixtrans-61.7-38.6179.223.5-34.8000112.8L48 Y55L48-P51 WeakPolarHBondContact O-CD 3.38Å; P51-Y55 VanDerWaalsContact O-CB 3.26Å; P51-Y55 WeakPolarHBondContact O-CB 3.49Å; P51-Y55 PolarHBondContact O-N 2.96Å
52S98.2Very high98.2Very high31 Ų3173.7 Ų73.722%0.21737%0.366CS..Hα-helixtrans-66.2-43.8178-55.10000111.9G49 R50 Y55 W56G49-S52 PolarHBondContact O-N 2.97Å; R50-S52 VanDerWaalsContact C-N 3.32Å; R50-S52 PolarHBondContact O-N 2.98Å; S52-Y55 PolarHBondContact O-N 3.41Å; S52-W56 WeakPolarHBondContact O-CB 3.37Å; S52-W56 PolarHBondContact O-N 3.38Å
53A98.6Very high98.1Very high8 Ų874.2 Ų74.27%0.06637%0.369CS..Hα-helixtrans-62.8-46.317800000111.3V33 A44 G49 R50 N57V33-A53 HydrophobicContact CG2-CB 4.01Å; A44-A53 HydrophobicContact CB-CB 4.28Å; G49-A53 WeakPolarHBondContact O-CB 3.27Å; G49-A53 PolarHBondContact O-N 3.37Å; R50-A53 PolarHBondContact O-N 3.27Å; A53-N57 WeakPolarHBondContact O-CB 3.49Å; A53-N57 PolarHBondContact O-N 3.26Å; A53-N57 PolarHBondContact O-ND2 3.5Å; A53-N57 VanDerWaalsContact O-ND2 3.14Å
54E98.5Very high98.1Very high127 Ų12773 Ų7359%0.59337%0.37SS*.Hα-helixtrans-60.9-46.3176.4-72.2172.5-172.900111.7R50 N57 S58R50-E54 WeakPolarHBondContact CG-OE1 3.31Å; R50-E54 WeakPolarHBondContact O-CG 3.39Å; R50-E54 PolarHBondContact O-N 3.42Å; E54-N57 PolarHBondContact O-N 3.15Å; E54-S58 WeakPolarHBondContact O-CB 3.2Å; E54-S58 PolarHBondContact O-N 3.11Å
55Y98.5Very high98Very high137 Ų13776 Ų7654%0.53738%0.38SS..Hα-helixtrans-64.4-47.3-179.3175.8-114.2000112.5P51 S52 S58 Q59P51-Y55 VanDerWaalsContact O-CB 3.26Å; P51-Y55 WeakPolarHBondContact O-CB 3.49Å; P51-Y55 PolarHBondContact O-N 2.96Å; S52-Y55 PolarHBondContact O-N 3.41Å; Y55-S58 PolarHBondContact O-N 3.08Å; Y55-S58 PolarHBondContact O-OG 2.62Å; Y55-Q59 VanDerWaalsContact CD1-NE2 3.32Å; Y55-Q59 PolarHBondContact O-NE2 3.18Å; Y55-Q59 VanDerWaalsContact O-NE2 3.14Å; Y55-Q59 PolarHBondContact OH-OE1 3.4Å
56W98.4Very high98Very high46 Ų4676.5 Ų76.517%0.17438%0.375CS..Hα-helixtrans-70.5-35.3179.4-67-31.4000112.4Y25 V33 Y42 S52 S58 Q59Y25-W56 AromaticContact CD1-CH2 3.96Å; Y25-W56 HydrophobicContact CD1-CH2 3.96Å; Y25-W56 AromaticContact CD2-CH2 3.93Å; Y25-W56 HydrophobicContact CD2-CH2 3.93Å; Y25-W56 AromaticContact CD2-CZ3 3.9Å; Y25-W56 HydrophobicContact CD2-CZ3 3.9Å; Y25-W56 AromaticContact CE1-CH2 3.72Å; Y25-W56 HydrophobicContact CE1-CH2 3.72Å; Y25-W56 HydrophobicContact CE1-CZ2 4.39Å; Y25-W56 AromaticContact CE2-CH2 3.72Å; Y25-W56 HydrophobicContact CE2-CH2 3.72Å; Y25-W56 AromaticContact CE2-CZ3 3.74Å; Y25-W56 HydrophobicContact CE2-CZ3 3.74Å; Y25-W56 HydrophobicContact CG-CH2 4.08Å; Y25-W56 HydrophobicContact CG-CZ3 4.43Å; Y25-W56 AromaticContact CZ-CH2 3.63Å; V33-W56 HydrophobicContact CG1-CH2 4.19Å; V33-W56 HydrophobicContact CG1-CZ3 3.62Å; V33-W56 HydrophobicContact CG2-CE3 4.37Å; V33-W56 HydrophobicContact CG2-CZ3 4.14Å; Y42-W56 HydrophobicContact CD1-CD2 4.45Å; Y42-W56 AromaticContact CD1-CE3 3.37Å; Y42-W56 HydrophobicContact CD1-CE3 3.37Å; Y42-W56 AromaticContact CD1-CZ3 3.74Å; Y42-W56 HydrophobicContact CD1-CZ3 3.74Å; Y42-W56 HydrophobicContact CD2-CB 3.55Å; Y42-W56 HydrophobicContact CD2-CD2 4.48Å; Y42-W56 HydrophobicContact CD2-CE3 4.08Å; Y42-W56 HydrophobicContact CD2-CG 4.35Å; Y42-W56 HydrophobicContact CE1-CD2 4.32Å; Y42-W56 AromaticContact CE1-CE3 3.41Å; Y42-W56 HydrophobicContact CE1-CE3 3.41Å; Y42-W56 VanDerWaalsContact CE1-CE3 3.41Å; Y42-W56 AromaticContact CE1-CZ3 3.58Å; Y42-W56 HydrophobicContact CE1-CZ3 3.58Å; Y42-W56 HydrophobicContact CE2-CB 3.84Å; Y42-W56 HydrophobicContact CE2-CD2 4.36Å; Y42-W56 HydrophobicContact CE2-CE3 4.11Å; Y42-W56 HydrophobicContact CE2-CG 4.31Å; Y42-W56 HydrophobicContact CG-CB 4.11Å; Y42-W56 AromaticContact CG-CE3 3.71Å; Y42-W56 HydrophobicContact CG-CE3 3.71Å; Y42-W56 AromaticContact CZ-CE3 3.79Å; S52-W56 WeakPolarHBondContact O-CB 3.37Å; S52-W56 PolarHBondContact O-N 3.38Å; W56-S58 PolarHBondContact O-N 3.47Å; W56-Q59 PolarHBondContact O-N 2.78Å; W56-Q59 VanDerWaalsContact O-N 3.14Å
57N98.6Very high98Very high43 Ų4380.8 Ų80.823%0.2339%0.387CS..Hα-helixtrans-69.2-22.6175.4-69.6-19.4000113.1Y42 A53 E54 Q59 L63Y42-N57 WeakPolarHBondContact CB-OD1 3.43Å; Y42-N57 PolarHBondContact N-OD1 3.18Å; Y42-N57 PolarHBondContact O-ND2 2.97Å; A53-N57 WeakPolarHBondContact O-CB 3.49Å; A53-N57 PolarHBondContact O-N 3.26Å; A53-N57 PolarHBondContact O-ND2 3.5Å; A53-N57 VanDerWaalsContact O-ND2 3.14Å; E54-N57 PolarHBondContact O-N 3.15Å; N57-Q59 VanDerWaalsContact C-N 3.27Å; N57-L63 HydrophobicContact CB-CD1 4.35Å; N57-L63 WeakPolarHBondContact O-CD1 3.48Å
58S98.3Very high98.1Very high83 Ų8376.3 Ų76.358%0.5837%0.373SS*.Hα-helixtrans-74.5-18.7173.779.40000113.3E54 Y55 W56E54-S58 WeakPolarHBondContact O-CB 3.2Å; E54-S58 PolarHBondContact O-N 3.11Å; Y55-S58 PolarHBondContact O-N 3.08Å; Y55-S58 PolarHBondContact O-OG 2.62Å; W56-S58 PolarHBondContact O-N 3.47Å
59Q98.3Very high98.1Very high42 Ų4273 Ų7320%0.19636%0.356CS..  trans-96.498.2-178.6-71.7173.398.100110.5Y55 W56 N57 D61 I62 L63Y55-Q59 VanDerWaalsContact CD1-NE2 3.32Å; Y55-Q59 PolarHBondContact O-NE2 3.18Å; Y55-Q59 VanDerWaalsContact O-NE2 3.14Å; Y55-Q59 PolarHBondContact OH-OE1 3.4Å; W56-Q59 PolarHBondContact O-N 2.78Å; W56-Q59 VanDerWaalsContact O-N 3.14Å; N57-Q59 VanDerWaalsContact C-N 3.27Å; Q59-D61 PolarHBondContact O-N 2.95Å; Q59-I62 HydrophobicContact CB-CB 4.01Å; Q59-I62 HydrophobicContact CB-CD1 3.83Å; Q59-I62 HydrophobicContact CB-CG1 3.93Å; Q59-I62 VanDerWaalsContact CD-CD1 3.45Å; Q59-I62 HydrophobicContact CG-CD1 4.25Å; Q59-I62 PolarHBondContact O-N 2.93Å; Q59-I62 VanDerWaalsContact OE1-CD1 3.31Å; Q59-L63 PolarHBondContact O-N 2.88Å
60K96.9Very high98.1Very high162 Ų16273.8 Ų73.870%0.70436%0.36SS*.Hα-helixtrans-63.2-39.9-174-68.5-173.2176.8-177.50113.2L63 E64K60-L63 PolarHBondContact O-N 3.47Å; K60-E64 WeakPolarHBondContact O-CB 3.26Å; K60-E64 VanDerWaalsContact O-CG 3.31Å; K60-E64 WeakPolarHBondContact O-CG 3.43Å; K60-E64 PolarHBondContact O-N 2.76Å
61D97.8Very high98.1Very high99 Ų9972.2 Ų72.253%0.52936%0.361SS..Hα-helixtrans-57.8-48.4174.956-30.2000111.3Q59 L63 E64 D65Q59-D61 PolarHBondContact O-N 2.95Å; D61-L63 PolarHBondContact O-N 3.46Å; D61-E64 PolarHBondContact O-N 2.04Å; D61-D65 WeakPolarHBondContact O-CB 3.41Å; D61-D65 PolarHBondContact O-N 2.99Å
62I96.5Very high98.1Very high42 Ų4272.5 Ų72.522%0.21536%0.362CS..Hα-helixtrans-62.4-44.1177.3-62.3-176.7000111Y42 Q59 D65 R66Y42-I62 HydrophobicContact CE2-CG2 4.39Å; Q59-I62 HydrophobicContact CB-CB 4.01Å; Q59-I62 HydrophobicContact CB-CD1 3.83Å; Q59-I62 HydrophobicContact CB-CG1 3.93Å; Q59-I62 VanDerWaalsContact CD-CD1 3.45Å; Q59-I62 HydrophobicContact CG-CD1 4.25Å; Q59-I62 PolarHBondContact O-N 2.93Å; Q59-I62 VanDerWaalsContact OE1-CD1 3.31Å; I62-D65 PolarHBondContact O-N 3.35Å; I62-R66 HydrophobicContact CG2-CG 4.36Å; I62-R66 WeakPolarHBondContact O-CB 3.24Å; I62-R66 VanDerWaalsContact O-CG 3.23Å; I62-R66 WeakPolarHBondContact O-CG 3.37Å; I62-R66 PolarHBondContact O-N 3.27Å
63L97.5Very high98Very high13 Ų1376.3 Ų76.37%0.06837%0.372CS..Hα-helixtrans-64.2-42.2178.5-83-176000112.7F35 E41 Y42 N57 Q59 K60 D61 R66 R67F35-L63 HydrophobicContact CD2-CD2 4.35Å; F35-L63 HydrophobicContact CE2-CD2 4.18Å; E41-L63 HydrophobicContact CB-CD2 4.16Å; Y42-L63 HydrophobicContact CD2-CD2 4.1Å; N57-L63 HydrophobicContact CB-CD1 4.35Å; N57-L63 WeakPolarHBondContact O-CD1 3.48Å; Q59-L63 PolarHBondContact O-N 2.88Å; K60-L63 PolarHBondContact O-N 3.47Å; D61-L63 PolarHBondContact O-N 3.46Å; L63-R66 PolarHBondContact O-N 2.95Å; L63-R67 WeakPolarHBondContact O-CB 3.44Å; L63-R67 WeakPolarHBondContact O-CD 3.43Å; L63-R67 WeakPolarHBondContact O-CG 3.36Å; L63-R67 PolarHBondContact O-N 3.05Å
64E98Very high98Very high121 Ų12176 Ų7657%0.56537%0.369SS*.Hα-helixtrans-63.7-45.2177-75.4175.4-179.300111K60 D61 R66 R67 A68K60-E64 WeakPolarHBondContact O-CB 3.26Å; K60-E64 VanDerWaalsContact O-CG 3.31Å; K60-E64 WeakPolarHBondContact O-CG 3.43Å; K60-E64 PolarHBondContact O-N 2.76Å; D61-E64 PolarHBondContact O-N 2.04Å; E64-R66 VanDerWaalsContact C-N 3.35Å; E64-R66 PolarHBondContact O-N 2.92Å; E64-R67 PolarHBondContact O-N 2.83Å; E64-A68 PolarHBondContact O-N 3.23Å
65D97.9Very high97.9Very high106 Ų10673.5 Ų73.557%0.56736%0.355SS*.Hα-helixtrans-59-45.4175-78.7-9.5000111.5D61 I62 R67 A68 L69D61-D65 WeakPolarHBondContact O-CB 3.41Å; D61-D65 PolarHBondContact O-N 2.99Å; I62-D65 PolarHBondContact O-N 3.35Å; D65-R67 PolarHBondContact O-N 2.73Å; D65-A68 WeakPolarHBondContact O-CB 3.09Å; D65-A68 PolarHBondContact O-N 3.22Å; D65-L69 WeakPolarHBondContact O-CG 3.33Å; D65-L69 PolarHBondContact O-N 3.41Å
66R97.9Very high97.8Very high73 Ų7372.4 Ų72.428%0.27535%0.354SS..Hα-helixtrans-65.1-37.8178.7-70.8-64.6-177.2-114.34.7113.1D23 F35 Y42 I62 L63 E64 A68 L69D23-R66 IonicContact OD2-CZ 3.8Å; D23-R66 IonicContact OD2-NE 3.22Å; D23-R66 PolarHBondContact OD2-NE 3.08Å; D23-R66 IonicContact OD2-NH2 3.74Å; F35-R66 HydrophobicContact CD1-CB 4.12Å; F35-R66 HydrophobicContact CD2-CB 3.89Å; F35-R66 HydrophobicContact CE1-CB 3.91Å; F35-R66 WeakPolarHBondContact CE1-O 3.06Å; F35-R66 HydrophobicContact CE2-CB 3.66Å; F35-R66 HydrophobicContact CG-CB 4.12Å; F35-R66 HydrophobicContact CZ-CB 3.68Å; Y42-R66 HydrophobicContact CE2-CG 4.04Å; Y42-R66 WeakPolarHBondContact OH-CD 3.03Å; Y42-R66 WeakPolarHBondContact OH-CG 3.46Å; Y42-R66 PolarHBondContact OH-NE 2.7Å; I62-R66 HydrophobicContact CG2-CG 4.36Å; I62-R66 WeakPolarHBondContact O-CB 3.24Å; I62-R66 VanDerWaalsContact O-CG 3.23Å; I62-R66 WeakPolarHBondContact O-CG 3.37Å; I62-R66 PolarHBondContact O-N 3.27Å; L63-R66 PolarHBondContact O-N 2.95Å; E64-R66 VanDerWaalsContact C-N 3.35Å; E64-R66 PolarHBondContact O-N 2.92Å; R66-A68 VanDerWaalsContact C-N 3.3Å; R66-A68 PolarHBondContact O-N 3.49Å; R66-L69 PolarHBondContact O-N 3.03Å
67R98.3Very high97.6Very high123 Ų12373.4 Ų73.446%0.46436%0.363SS..Hα-helixtrans-64.1-37.2173.2-71.4164.8-176.9171.41.1111.5F35 G40 L63 E64 D65 L69F35-R67 HydrophobicContact CE2-CG 4.29Å; F35-R67 HydrophobicContact CZ-CG 3.87Å; G40-R67 VanDerWaalsContact O-CZ 3.26Å; G40-R67 PolarHBondContact O-NE 3.29Å; G40-R67 PolarHBondContact O-NH2 2.71Å; L63-R67 WeakPolarHBondContact O-CB 3.44Å; L63-R67 WeakPolarHBondContact O-CD 3.43Å; L63-R67 WeakPolarHBondContact O-CG 3.36Å; L63-R67 PolarHBondContact O-N 3.05Å; E64-R67 PolarHBondContact O-N 2.83Å; D65-R67 PolarHBondContact O-N 2.73Å; R67-L69 VanDerWaalsContact C-N 3.29Å; R67-L69 PolarHBondContact O-N 2.75Å
68A98.5Very high97.4Very high38 Ų3875.2 Ų75.231%0.31437%0.367SS..Hα-helixtrans-70.5-21.1-179.900000113.9E64 D65 R66 V70 D71 T72E64-A68 PolarHBondContact O-N 3.23Å; D65-A68 WeakPolarHBondContact O-CB 3.09Å; D65-A68 PolarHBondContact O-N 3.22Å; R66-A68 VanDerWaalsContact C-N 3.3Å; R66-A68 PolarHBondContact O-N 3.49Å; A68-V70 PolarHBondContact O-N 3.42Å; A68-V70 VanDerWaalsContact O-N 3.08Å; A68-D71 PolarHBondContact O-N 2.62Å; A68-T72 HydrophobicContact CB-CG2 4.25Å; A68-T72 PolarHBondContact O-N 3.42Å; A68-T72 PolarHBondContact O-OG1 3.11Å; A68-T72 VanDerWaalsContact O-OG1 3.11Å
69L98.2Very high97.1Very high32 Ų3272.9 Ų72.917%0.16836%0.356CS..Hα-helixtrans-60.9-20.7-177.7-70.2179.9000114.4F21 D65 R66 R67 D71 Y73 C74F21-L69 HydrophobicContact CD1-CB 3.9Å; F21-L69 HydrophobicContact CD1-CD1 4.15Å; F21-L69 HydrophobicContact CE1-CB 3.97Å; F21-L69 HydrophobicContact CE1-CD1 3.37Å; F21-L69 HydrophobicContact CE1-CG 4.31Å; F21-L69 HydrophobicContact CE2-CD1 4.33Å; F21-L69 HydrophobicContact CG-CB 4.17Å; F21-L69 HydrophobicContact CZ-CB 4.3Å; F21-L69 HydrophobicContact CZ-CD1 3.48Å; F21-L69 VanDerWaalsContact CZ-CD1 3.48Å; D65-L69 WeakPolarHBondContact O-CG 3.33Å; D65-L69 PolarHBondContact O-N 3.41Å; R66-L69 PolarHBondContact O-N 3.03Å; R67-L69 VanDerWaalsContact C-N 3.29Å; R67-L69 PolarHBondContact O-N 2.75Å; L69-D71 VanDerWaalsContact C-N 3.26Å; L69-D71 PolarHBondContact O-N 3.07Å; L69-Y73 WeakPolarHBondContact O-CB 3.39Å; L69-Y73 PolarHBondContact O-N 3.28Å; L69-Y73 VanDerWaalsContact O-N 3.15Å; L69-C74 PolarHBondContact O-N 3.43Å
70V98.4Very high96.8Very high15 Ų1573.9 Ų73.99%0.09137%0.365CS..Iπ-helixtrans-58.4-43.4172.1-172.20000110.5V19 F21 A68 C74 R75V19-V70 HydrophobicContact CB-CG1 3.72Å; V19-V70 HydrophobicContact CG1-CG1 3.85Å; V19-V70 WeakPolarHBondContact O-CG1 3.37Å; F21-V70 HydrophobicContact CB-CG2 4.07Å; A68-V70 PolarHBondContact O-N 3.42Å; A68-V70 VanDerWaalsContact O-N 3.08Å; V70-C74 WeakPolarHBondContact O-CB 3.47Å; V70-R75 VanDerWaalsContact CG1-NH1 3.33Å; V70-R75 PolarHBondContact O-N 2.93Å
71D98.1Very high96.4Very high93 Ų9367.7 Ų67.750%0.49735%0.347SS..Iπ-helixtrans-88.7-52.9-179.5-73.9-59.2000112.1A68 L69 Y73 R75 H76A68-D71 PolarHBondContact O-N 2.62Å; L69-D71 VanDerWaalsContact C-N 3.26Å; L69-D71 PolarHBondContact O-N 3.07Å; D71-Y73 VanDerWaalsContact C-N 3.31Å; D71-Y73 PolarHBondContact O-N 3.02Å; D71-R75 VanDerWaalsContact CG-NH1 3.25Å; D71-R75 WeakPolarHBondContact OD1-CD 3.39Å; D71-R75 IonicContact OD1-CZ 3.52Å; D71-R75 IonicContact OD1-NE 3.79Å; D71-R75 IonicContact OD1-NH1 3.93Å; D71-R75 PolarHBondContact OD1-NH1 3.5Å; D71-R75 IonicContact OD2-NH1 3.9Å; D71-R75 PolarHBondContact OD2-NH1 2.87Å; D71-H76 PolarHBondContact O-N 3.38Å
72T97.7Very high95.9Very high88 Ų8866.6 Ų66.654%0.5434%0.339SS..Iπ-helixtrans-72.9-25.8-168.761.70000112.9A68 H76A68-T72 HydrophobicContact CB-CG2 4.25Å; A68-T72 PolarHBondContact O-N 3.42Å; A68-T72 PolarHBondContact O-OG1 3.11Å; A68-T72 VanDerWaalsContact O-OG1 3.11Å; T72-H76 VanDerWaalsContact O-CB 3.26Å; T72-H76 WeakPolarHBondContact O-CB 3.48Å
73Y97.1Very high95.2Very high112 Ų11268.7 Ų68.744%0.43936%0.357SS..Iπ-helixtrans-113.1-59.9179.7-178.5-101000111.8F21 L69 D71 N77F21-Y73 HydrophobicContact CE2-CD1 4.39Å; L69-Y73 WeakPolarHBondContact O-CB 3.39Å; L69-Y73 PolarHBondContact O-N 3.28Å; L69-Y73 VanDerWaalsContact O-N 3.15Å; D71-Y73 VanDerWaalsContact C-N 3.31Å; D71-Y73 PolarHBondContact O-N 3.02Å; Y73-N77 WeakPolarHBondContact CD2-ND2 3.44Å; Y73-N77 WeakPolarHBondContact CE2-ND2 3.36Å; Y73-N77 VanDerWaalsContact O-CB 3.24Å; Y73-N77 WeakPolarHBondContact O-CB 3.49Å; Y73-N77 VanDerWaalsContact O-CG 3.26Å; Y73-N77 PolarHBondContact O-N 3.06Å; Y73-N77 PolarHBondContact O-ND2 3.32Å
74C98Very high94.4Very high1 Ų176.2 Ų76.21%0.00739%0.39CS..Iπ-helixtrans-66.8-57.2-172.5-63.30000112.5C10 F12 V19 F21 L69 V70 H76 N77 Y78C10-C74 HydrophobicContact CB-CB 3.67Å; C10-C74 WeakPolarHBondContact CB-SG 3.35Å; C10-C74 WeakPolarHBondContact SG-CA 3.47Å; C10-C74 WeakPolarHBondContact SG-CB 3.43Å; C10-C74 CovalentContact SG-SG 2.04Å; C10-C74 PolarHBondContact SG-SG 3.35Å; F12-C74 HydrophobicContact CE1-CB 4.14Å; F12-C74 HydrophobicContact CZ-CB 3.95Å; F12-C74 WeakPolarHBondContact CZ-O 3.39Å; V19-C74 HydrophobicContact CG1-CB 3.53Å; F21-C74 VanDerWaalsContact CD2-SG 3.59Å; L69-C74 PolarHBondContact O-N 3.43Å; V70-C74 WeakPolarHBondContact O-CB 3.47Å; C74-H76 PolarHBondContact O-N 2.82Å; C74-N77 PolarHBondContact O-N 3.21Å; C74-Y78 WeakPolarHBondContact O-CB 3.32Å; C74-Y78 PolarHBondContact O-N 2.84Å
75R97.3Very high93.5Very high75 Ų7574.7 Ų74.728%0.28339%0.389SS..Iπ-helixtrans-64.4-41.2179.3-71.8-172.5-176.595.72.4112.2T16 V19 V70 D71 Y78 G79T16-R75 HydrophobicContact CG2-CG 4.46Å; T16-R75 PolarHBondContact O-NE 2.96Å; V19-R75 HydrophobicContact CB-CG 4.49Å; V19-R75 HydrophobicContact CG2-CG 3.84Å; V70-R75 VanDerWaalsContact CG1-NH1 3.33Å; V70-R75 PolarHBondContact O-N 2.93Å; D71-R75 VanDerWaalsContact CG-NH1 3.25Å; D71-R75 WeakPolarHBondContact OD1-CD 3.39Å; D71-R75 IonicContact OD1-CZ 3.52Å; D71-R75 IonicContact OD1-NE 3.79Å; D71-R75 IonicContact OD1-NH1 3.93Å; D71-R75 PolarHBondContact OD1-NH1 3.5Å; D71-R75 IonicContact OD2-NH1 3.9Å; D71-R75 PolarHBondContact OD2-NH1 2.87Å; R75-Y78 PolarHBondContact O-N 3.24Å; R75-G79 PolarHBondContact O-N 3.17Å
76H95.8Very high92.4Very high113 Ų11376.2 Ų76.252%0.52340%0.402SS..Hα-helixtrans-54.8-54.7175.6179.972.2000111.9D71 T72 C74 Y78 G79 V80D71-H76 PolarHBondContact O-N 3.38Å; T72-H76 VanDerWaalsContact O-CB 3.26Å; T72-H76 WeakPolarHBondContact O-CB 3.48Å; C74-H76 PolarHBondContact O-N 2.82Å; H76-Y78 VanDerWaalsContact C-N 3.34Å; H76-Y78 PolarHBondContact O-N 2.91Å; H76-G79 PolarHBondContact O-N 2.64Å; H76-V80 WeakPolarHBondContact O-CG2 3.37Å; H76-V80 PolarHBondContact O-N 3.38Å
77N95.1Very high90.9Very high68 Ų6877.8 Ų77.836%0.36441%0.412SS..Hα-helixtrans-68.4-32.8-178.3-71.7-27.9000112.8Y73 C74 V80 G81Y73-N77 WeakPolarHBondContact CD2-ND2 3.44Å; Y73-N77 WeakPolarHBondContact CE2-ND2 3.36Å; Y73-N77 VanDerWaalsContact O-CB 3.24Å; Y73-N77 WeakPolarHBondContact O-CB 3.49Å; Y73-N77 VanDerWaalsContact O-CG 3.26Å; Y73-N77 PolarHBondContact O-N 3.06Å; Y73-N77 PolarHBondContact O-ND2 3.32Å; C74-N77 PolarHBondContact O-N 3.21Å; N77-V80 PolarHBondContact O-N 3.43Å; N77-G81 PolarHBondContact O-N 2.62Å
78Y93.7Very high89.3Confident80 Ų8083.7 Ų83.731%0.31444%0.435SS..Hα-helixtrans-58.6-51.5172.7-170.9-83.9000110.7F12 T16 C74 R75 H76 V80 G81 E82F12-Y78 HydrophobicContact CB-CD2 4.43Å; F12-Y78 HydrophobicContact CB-CE2 4.23Å; F12-Y78 AromaticContact CD1-CD2 3.53Å; F12-Y78 HydrophobicContact CD1-CD2 3.53Å; F12-Y78 HydrophobicContact CD1-CE2 4.1Å; F12-Y78 HydrophobicContact CD1-CG 4.06Å; F12-Y78 AromaticContact CD2-CD2 3.9Å; F12-Y78 HydrophobicContact CD2-CD2 3.9Å; F12-Y78 HydrophobicContact CD2-CE2 4.33Å; F12-Y78 AromaticContact CE1-CD2 3.62Å; F12-Y78 HydrophobicContact CE1-CD2 3.62Å; F12-Y78 AromaticContact CE1-CG 3.87Å; F12-Y78 HydrophobicContact CE1-CG 3.87Å; F12-Y78 AromaticContact CE2-CD2 3.96Å; F12-Y78 HydrophobicContact CE2-CD2 3.96Å; F12-Y78 AromaticContact CG-CD2 3.69Å; F12-Y78 HydrophobicContact CG-CD2 3.69Å; F12-Y78 AromaticContact CG-CE2 3.96Å; F12-Y78 HydrophobicContact CG-CE2 3.96Å; F12-Y78 AromaticContact CZ-CD2 3.83Å; F12-Y78 HydrophobicContact CZ-CD2 3.83Å; F12-Y78 HydrophobicContact CZ-CG 4.27Å; T16-Y78 HydrophobicContact CG2-CD1 3.36Å; T16-Y78 HydrophobicContact CG2-CD2 4.44Å; T16-Y78 HydrophobicContact CG2-CE1 3.82Å; T16-Y78 HydrophobicContact CG2-CG 3.71Å; C74-Y78 WeakPolarHBondContact O-CB 3.32Å; C74-Y78 PolarHBondContact O-N 2.84Å; R75-Y78 PolarHBondContact O-N 3.24Å; H76-Y78 VanDerWaalsContact C-N 3.34Å; H76-Y78 PolarHBondContact O-N 2.91Å; Y78-V80 VanDerWaalsContact C-N 3.32Å; Y78-V80 PolarHBondContact O-N 3.41Å; Y78-G81 PolarHBondContact O-N 2.78Å; Y78-G81 VanDerWaalsContact O-N 3.13Å; Y78-E82 HydrophobicContact CE1-CG 4.3Å; Y78-E82 WeakPolarHBondContact O-CB 3.42Å; Y78-E82 PolarHBondContact O-N 3.37Å
79G92.8Very high87.4Confident35 Ų3597.1 Ų97.136%0.36148%0.477SS..Hα-helixtrans-62.2-37.4179.400000113.1R75 H76 S83R75-G79 PolarHBondContact O-N 3.17Å; H76-G79 PolarHBondContact O-N 2.64Å; G79-S83 PolarHBondContact O-N 3.22Å; G79-S83 VanDerWaalsContact O-N 3.11Å
80V91.8Very high86.9Confident63 Ų63100.4 Ų100.438%0.38249%0.492SS..Hα-helixtrans-60.4-51.6171.5174.70000110.2H76 N77 Y78 E82 S83 F84H76-V80 WeakPolarHBondContact O-CG2 3.37Å; H76-V80 PolarHBondContact O-N 3.38Å; N77-V80 PolarHBondContact O-N 3.43Å; Y78-V80 VanDerWaalsContact C-N 3.32Å; Y78-V80 PolarHBondContact O-N 3.41Å; V80-E82 VanDerWaalsContact C-N 3.34Å; V80-E82 PolarHBondContact O-N 2.83Å; V80-S83 PolarHBondContact O-N 2.92Å; V80-S83 PolarHBondContact O-OG 3.49Å; V80-F84 HydrophobicContact CG1-CD2 4.24Å; V80-F84 HydrophobicContact CG1-CE2 3.95Å; V80-F84 WeakPolarHBondContact O-CD2 3.41Å
81G88.6Confident86.2Confident32 Ų32104.8 Ų104.833%0.3351%0.514SS..Hα-helixtrans-62.1-39.7179.600000113.4N77 Y78 S83 F84 T85N77-G81 PolarHBondContact O-N 2.62Å; Y78-G81 PolarHBondContact O-N 2.78Å; Y78-G81 VanDerWaalsContact O-N 3.13Å; G81-S83 VanDerWaalsContact C-N 3.27Å; G81-S83 PolarHBondContact O-N 3.34Å; G81-F84 PolarHBondContact O-N 2.79Å; G81-F84 VanDerWaalsContact O-N 3.17Å; G81-T85 WeakPolarHBondContact O-CB 3.34Å; G81-T85 WeakPolarHBondContact O-CG2 3.41Å; G81-T85 PolarHBondContact O-N 3.05Å; G81-T85 PolarHBondContact O-OG1 3.13Å
82E86.1Confident85.6Confident76 Ų76105.5 Ų105.536%0.35551%0.514SS..Hα-helixtrans-60-38.5176.9-150.8-16114900111.6Y78 V80 F84 T85 Q87Y78-E82 HydrophobicContact CE1-CG 4.3Å; Y78-E82 WeakPolarHBondContact O-CB 3.42Å; Y78-E82 PolarHBondContact O-N 3.37Å; V80-E82 VanDerWaalsContact C-N 3.34Å; V80-E82 PolarHBondContact O-N 2.83Å; E82-F84 PolarHBondContact O-N 2.7Å; E82-T85 PolarHBondContact O-N 3.42Å; E82-Q87 PolarHBondContact OE1-NE2 3.21Å; E82-Q87 PolarHBondContact OE1-OE1 3.22Å
83S82.8Confident84.9Confident85 Ų85106.5 Ų106.559%0.59451%0.513SS*.Hα-helixtrans-65.7-22.8179.176.40000113.9G79 V80 G81G79-S83 PolarHBondContact O-N 3.22Å; G79-S83 VanDerWaalsContact O-N 3.11Å; V80-S83 PolarHBondContact O-N 2.92Å; V80-S83 PolarHBondContact O-OG 3.49Å; G81-S83 VanDerWaalsContact C-N 3.27Å; G81-S83 PolarHBondContact O-N 3.34Å
84F79.9Confident84.1Confident171 Ų171106.2 Ų106.275%0.7552%0.518SS*.Hα-helixtrans-107.7-9.7-178.4-64.8-69.2000114.2V80 G81 E82V80-F84 HydrophobicContact CG1-CD2 4.24Å; V80-F84 HydrophobicContact CG1-CE2 3.95Å; V80-F84 WeakPolarHBondContact O-CD2 3.41Å; G81-F84 PolarHBondContact O-N 2.79Å; G81-F84 VanDerWaalsContact O-N 3.17Å; E82-F84 PolarHBondContact O-N 2.7Å
85T78.9Confident83.2Confident89 Ų89113.2 Ų113.255%0.54655%0.552SS.*SBendtrans-110.7150.9-175560000111.6G81 E82 Q87G81-T85 WeakPolarHBondContact O-CB 3.34Å; G81-T85 WeakPolarHBondContact O-CG2 3.41Å; G81-T85 PolarHBondContact O-N 3.05Å; G81-T85 PolarHBondContact O-OG1 3.13Å; E82-T85 PolarHBondContact O-N 3.42Å; T85-Q87 PolarHBondContact O-N 3.23Å
86V74.7Confident82.2Confident139 Ų139115.9 Ų115.984%0.84257%0.571SS**  trans-66.8121.9172.7178.30000107.8R88V86-R88 PolarHBondContact O-N 3.4Å
87Q68.1Low81.1Confident105 Ų105116.2 Ų116.249%0.49157%0.574SS.*  trans-50.4122.8177.2-66.7-71.6-4.400110.6E82 T85 R89E82-Q87 PolarHBondContact OE1-NE2 3.21Å; E82-Q87 PolarHBondContact OE1-OE1 3.22Å; T85-Q87 PolarHBondContact O-N 3.23Å; Q87-R89 PolarHBondContact O-N 3.09Å; Q87-R89 VanDerWaalsContact O-N 3.09Å
88R63.2Low80Confident248 Ų248120.2 Ų120.294%0.93659%0.592SS**  trans-68.6107.9171.9-77.1-177.5169.3-175-2.4107.5V86V86-R88 PolarHBondContact O-N 3.4Å
89R59Low78.7Confident319 Ų319123.8 Ų123.8100%1.20462%0.617SS**  trans-67.70170.3-76-175177.1-174.5-0.7111.3Q87Q87-R89 PolarHBondContact O-N 3.09Å; Q87-R89 VanDerWaalsContact O-N 3.09Å

Retrieved 89 of 89 residues in 58.1 ms (Link to these results)

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