A0A090MHZ3_HUMAN Loading...

MHC class II antigen

AlphaFold DB , UniProt , Accession A0A090MHZ3, Species HUMAN (Homo sapiens, Human), Gene HLA-DRB1, Length 89 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1R84.6Confident96Very high286 Ų28693 Ų93100%1.07945%0.449SS*.  01310177.3177.8177.5-178.7-0.1107
2F92.8Very high96Very high110 Ų11091.2 Ų91.248%0.48244%0.437SS..  trans-78.6140.8175167-118.6000110.4E4 Y27 N28F2-E4 HydrophobicContact CE1-CB 4.18Å; F2-E4 HydrophobicContact CE2-CB 3.89Å; F2-E4 HydrophobicContact CZ-CB 3.41Å; F2-E4 VanDerWaalsContact CZ-CB 3.41Å; F2-E4 HydrophobicContact CZ-CG 4.46Å; F2-Y27 HydrophobicContact CD2-CD2 4.32Å; F2-Y27 HydrophobicContact CD2-CE1 4.4Å; F2-Y27 AromaticContact CD2-CE2 3.66Å; F2-Y27 HydrophobicContact CD2-CE2 3.66Å; F2-Y27 AromaticContact CD2-CZ 3.66Å; F2-Y27 AromaticContact CE2-CD2 3.4Å; F2-Y27 HydrophobicContact CE2-CD2 3.4Å; F2-Y27 VanDerWaalsContact CE2-CD2 3.4Å; F2-Y27 HydrophobicContact CE2-CE1 4.36Å; F2-Y27 AromaticContact CE2-CE2 2.97Å; F2-Y27 HydrophobicContact CE2-CE2 2.97Å; F2-Y27 HydrophobicContact CE2-CG 4.24Å; F2-Y27 AromaticContact CE2-CZ 3.5Å; F2-Y27 VanDerWaalsContact CE2-CZ 3.5Å; F2-Y27 HydrophobicContact CZ-CD2 4.13Å; F2-Y27 AromaticContact CZ-CE2 3.72Å; F2-Y27 HydrophobicContact CZ-CE2 3.72Å; F2-N28 WeakPolarHBondContact CA-OD1 3.41Å
3L96.6Very high96Very high81 Ų8191.5 Ų91.542%0.42444%0.436SS..  trans-138.6127.8173.8178.768.1000109.5Y5 N28L3-Y5 HydrophobicContact CD2-CD1 3.97Å; L3-Y5 HydrophobicContact CD2-CE1 3.96Å; L3-Y5 HydrophobicContact CG-CD1 3.94Å; L3-Y5 HydrophobicContact CG-CE1 4.38Å; L3-N28 PolarHBondContact N-OD1 2.69Å; L3-N28 PolarHBondContact O-N 3.47Å
4E96.8Very high95.8Very high108 Ų10894.9 Ų94.951%0.50546%0.458SS..EExtended strand (participates in β ladder)trans-129135.1170.2172173.4-138.700108.7F2 F26 Y32F2-E4 HydrophobicContact CE1-CB 4.18Å; F2-E4 HydrophobicContact CE2-CB 3.89Å; F2-E4 HydrophobicContact CZ-CB 3.41Å; F2-E4 VanDerWaalsContact CZ-CB 3.41Å; F2-E4 HydrophobicContact CZ-CG 4.46Å; E4-F26 WeakPolarHBondContact CA-O 3.28Å; E4-Y32 PolarHBondContact OE1-OH 2.97Å
5Y97.6Very high95.3Very high92 Ų9290.6 Ų90.636%0.36145%0.448SS..EExtended strand (participates in β ladder)trans-157.2165.2178.167.3-79.9000110.5L3 T7 F26L3-Y5 HydrophobicContact CD2-CD1 3.97Å; L3-Y5 HydrophobicContact CD2-CE1 3.96Å; L3-Y5 HydrophobicContact CG-CD1 3.94Å; L3-Y5 HydrophobicContact CG-CE1 4.38Å; Y5-T7 HydrophobicContact CD2-CG2 4.38Å; Y5-T7 HydrophobicContact CE2-CG2 4.31Å; Y5-F26 HydrophobicContact CD1-CB 3.83Å; Y5-F26 HydrophobicContact CD2-CB 4.31Å; Y5-F26 AromaticContact CD2-CD2 3.79Å; Y5-F26 HydrophobicContact CD2-CD2 3.79Å; Y5-F26 HydrophobicContact CD2-CE2 4.5Å; Y5-F26 HydrophobicContact CD2-CG 4.3Å; Y5-F26 HydrophobicContact CE1-CB 3.49Å; Y5-F26 VanDerWaalsContact CE1-CB 3.49Å; Y5-F26 HydrophobicContact CE1-CD2 4.46Å; Y5-F26 HydrophobicContact CE1-CG 4.02Å; Y5-F26 HydrophobicContact CE2-CB 4Å; Y5-F26 HydrophobicContact CE2-CD1 4.45Å; Y5-F26 AromaticContact CE2-CD2 3.38Å; Y5-F26 HydrophobicContact CE2-CD2 3.38Å; Y5-F26 AromaticContact CE2-CE2 3.91Å; Y5-F26 HydrophobicContact CE2-CE2 3.91Å; Y5-F26 AromaticContact CE2-CG 3.7Å; Y5-F26 HydrophobicContact CE2-CG 3.7Å; Y5-F26 HydrophobicContact CG-CB 4.24Å; Y5-F26 HydrophobicContact CG-CD2 4.48Å; Y5-F26 AromaticContact CZ-CD2 3.77Å; Y5-F26 AromaticContact CZ-CG 3.54Å; Y5-F26 PolarHBondContact N-O 3.42Å; Y5-F26 PolarHBondContact O-N 3.5Å
6S97.7Very high95.3Very high66 Ų6688.5 Ų88.546%0.46244%0.442SS..EExtended strand (participates in β ladder)trans-131.8158.1172.558.40000111.6I24S6-I24 CarbonylContact C-O 3.44Å; S6-I24 WeakPolarHBondContact CA-O 3.25Å; S6-I24 WeakPolarHBondContact CB-O 3.46Å
7T98.3Very high95.2Very high37 Ų3792.1 Ų92.123%0.22746%0.457CS..EExtended strand (participates in β ladder)trans-123.6138.9171.865.50000110.3Y5 E9 D23 I24 F26Y5-T7 HydrophobicContact CD2-CG2 4.38Å; Y5-T7 HydrophobicContact CE2-CG2 4.31Å; T7-E9 PolarHBondContact OG1-OE1 3.27Å; T7-E9 VanDerWaalsContact OG1-OE1 3.06Å; T7-D23 WeakPolarHBondContact O-CA 3.41Å; T7-I24 PolarHBondContact N-O 3.07Å; T7-I24 PolarHBondContact O-N 3.31Å; T7-F26 HydrophobicContact CG2-CE2 4Å
8G97.8Very high95.3Very high46 Ų4694.9 Ų94.947%0.47446%0.462SS..EExtended strand (participates in β ladder)trans-112104.4170.400000109.1L22G8-L22 CarbonylContact C-O 3.54Å; G8-L22 WeakPolarHBondContact CA-O 3.45Å
9E98.1Very high95.4Very high59 Ų5990.4 Ų90.428%0.27644%0.44SS..EExtended strand (participates in β ladder)trans-112.3136.1-170.6-62.3175.2-170.600111.3T7 Y11 F21 L22T7-E9 PolarHBondContact OG1-OE1 3.27Å; T7-E9 VanDerWaalsContact OG1-OE1 3.06Å; E9-Y11 HydrophobicContact CB-CD2 4.39Å; E9-Y11 HydrophobicContact CB-CE2 3.7Å; E9-Y11 WeakPolarHBondContact OE2-CE2 3.41Å; E9-Y11 PolarHBondContact OE2-OH 2.95Å; E9-F21 CarbonylContact O-C 3.58Å; E9-F21 WeakPolarHBondContact O-CA 3.45Å; E9-F21 WeakPolarHBondContact O-CD2 3.44Å; E9-L22 HydrophobicContact CB-CB 4.35Å; E9-L22 PolarHBondContact N-O 2.78Å; E9-L22 PolarHBondContact O-N 3.48Å
10C98.3Very high95.6Very high37 Ų3789.3 Ų89.325%0.2543%0.431CS..EExtended strand (participates in β ladder)trans-115.2120.9174.1-61.80000109.6F12 R20 C74C10-F12 HydrophobicContact CB-CD2 4.36Å; C10-F12 HydrophobicContact CB-CE2 3.46Å; C10-F12 VanDerWaalsContact CB-CE2 3.46Å; C10-F12 HydrophobicContact CB-CZ 3.6Å; C10-R20 WeakPolarHBondContact CA-O 3.43Å; C10-C74 HydrophobicContact CB-CB 3.66Å; C10-C74 WeakPolarHBondContact CB-SG 3.46Å; C10-C74 WeakPolarHBondContact SG-CA 3.38Å; C10-C74 WeakPolarHBondContact SG-CB 3.43Å; C10-C74 CovalentContact SG-SG 2.04Å; C10-C74 PolarHBondContact SG-SG 3.44Å
11Y97.8Very high95.7Very high101 Ų10185.3 Ų85.340%0.39641%0.412SS..EExtended strand (participates in β ladder)trans-105125175.1-65.9-95.1000109.6E9 V19 R20 L22E9-Y11 HydrophobicContact CB-CD2 4.39Å; E9-Y11 HydrophobicContact CB-CE2 3.7Å; E9-Y11 WeakPolarHBondContact OE2-CE2 3.41Å; E9-Y11 PolarHBondContact OE2-OH 2.95Å; Y11-V19 WeakPolarHBondContact O-CA 3.45Å; Y11-R20 PolarHBondContact N-O 3.28Å; Y11-R20 PolarHBondContact O-N 3.45Å; Y11-L22 HydrophobicContact CD2-CD1 4.36Å; Y11-L22 HydrophobicContact CD2-CG 4.45Å; Y11-L22 HydrophobicContact CE2-CD1 3.69Å; Y11-L22 HydrophobicContact CE2-CG 4.15Å
12F96.4Very high96.4Very high71 Ų7172 Ų7231%0.31136%0.362SS..EExtended strand (participates in β ladder)trans-113.2128-175.4-62.4-83.8000109.9C10 G15 T16 V19 C74 Y78C10-F12 HydrophobicContact CB-CD2 4.36Å; C10-F12 HydrophobicContact CB-CE2 3.46Å; C10-F12 VanDerWaalsContact CB-CE2 3.46Å; C10-F12 HydrophobicContact CB-CZ 3.6Å; F12-G15 WeakPolarHBondContact CB-O 3.48Å; F12-T16 HydrophobicContact CD1-CG2 4.32Å; F12-V19 HydrophobicContact CD1-CB 4.47Å; F12-V19 HydrophobicContact CD1-CG1 4.01Å; F12-V19 HydrophobicContact CD1-CG2 3.73Å; F12-V19 HydrophobicContact CE1-CG1 3.8Å; F12-V19 HydrophobicContact CE1-CG2 4.04Å; F12-V19 HydrophobicContact CZ-CG1 4.5Å; F12-C74 HydrophobicContact CE1-CB 4.15Å; F12-C74 HydrophobicContact CZ-CB 3.95Å; F12-C74 WeakPolarHBondContact CZ-O 3.38Å; F12-Y78 HydrophobicContact CB-CD2 4.47Å; F12-Y78 HydrophobicContact CB-CE2 4.27Å; F12-Y78 AromaticContact CD1-CD2 3.54Å; F12-Y78 HydrophobicContact CD1-CD2 3.54Å; F12-Y78 HydrophobicContact CD1-CE2 4.12Å; F12-Y78 HydrophobicContact CD1-CG 4.09Å; F12-Y78 AromaticContact CD2-CD2 3.93Å; F12-Y78 HydrophobicContact CD2-CD2 3.93Å; F12-Y78 HydrophobicContact CD2-CE2 4.36Å; F12-Y78 AromaticContact CE1-CD2 3.62Å; F12-Y78 HydrophobicContact CE1-CD2 3.62Å; F12-Y78 AromaticContact CE1-CG 3.88Å; F12-Y78 HydrophobicContact CE1-CG 3.88Å; F12-Y78 AromaticContact CE2-CD2 3.98Å; F12-Y78 HydrophobicContact CE2-CD2 3.98Å; F12-Y78 AromaticContact CG-CD2 3.71Å; F12-Y78 HydrophobicContact CG-CD2 3.71Å; F12-Y78 AromaticContact CG-CE2 4Å; F12-Y78 HydrophobicContact CG-CE2 4Å; F12-Y78 AromaticContact CZ-CD2 3.84Å; F12-Y78 HydrophobicContact CZ-CD2 3.84Å; F12-Y78 HydrophobicContact CZ-CG 4.28Å
13F94.9Very high96.7Very high96 Ų9667.3 Ų67.342%0.42134%0.342SS..EExtended strand (participates in β ladder)trans-122.7128.5178.2-54.4-88.7000109.2G15 R18F13-G15 PolarHBondContact O-N 3.48Å; F13-R18 HydrophobicContact CB-CB 4.26Å; F13-R18 HydrophobicContact CD2-CB 4.45Å; F13-R18 HydrophobicContact CD2-CG 4.22Å; F13-R18 PolarHBondContact N-O 2.95Å; F13-R18 PolarHBondContact O-N 3.41Å
14N93.1Very high96.8Very high138 Ų13863.7 Ų63.774%0.73832%0.323SS*.THydrogen-bonded Turntrans50.255.2-175-60.1-20.1000112.2T16 E17N14-T16 PolarHBondContact O-N 3.11Å; N14-E17 HydrophobicContact CB-CB 4.32Å; N14-E17 WeakPolarHBondContact CB-OE2 3.5Å; N14-E17 PolarHBondContact ND2-OE2 3.08Å
15G89.4Confident96.8Very high31 Ų3160.2 Ų60.232%0.3231%0.305SS..THydrogen-bonded Turntrans71.8-123.3-170.500000110.5F12 F13F12-G15 WeakPolarHBondContact CB-O 3.48Å; F13-G15 PolarHBondContact O-N 3.48Å
16T94.2Very high96.9Very high57 Ų5757.1 Ų57.135%0.3529%0.294SS..THydrogen-bonded Turntrans-107.310.5-178.756.10000113.9F12 N14 R18 R75 Y78F12-T16 HydrophobicContact CD1-CG2 4.32Å; N14-T16 PolarHBondContact O-N 3.11Å; T16-R18 PolarHBondContact O-N 3.23Å; T16-R75 HydrophobicContact CG2-CG 4.43Å; T16-R75 PolarHBondContact O-NE 2.87Å; T16-Y78 HydrophobicContact CG2-CD1 3.39Å; T16-Y78 HydrophobicContact CG2-CD2 4.43Å; T16-Y78 HydrophobicContact CG2-CE1 3.85Å; T16-Y78 HydrophobicContact CG2-CG 3.72Å
17E93.9Very high96.9Very high150 Ų15058.6 Ų58.670%0.70129%0.29SS*.THydrogen-bonded Turntrans-56.5-51178.5-174.5-175.3-177.500110.8N14N14-E17 HydrophobicContact CB-CB 4.32Å; N14-E17 WeakPolarHBondContact CB-OE2 3.5Å; N14-E17 PolarHBondContact ND2-OE2 3.08Å
18R97Very high96.7Very high143 Ų14360.2 Ų60.254%0.5430%0.297SS..EExtended strand (participates in β ladder)trans-122.6127.5169.3-178.3180178.6-178-1109.8F13 T16 D38F13-R18 HydrophobicContact CB-CB 4.26Å; F13-R18 HydrophobicContact CD2-CB 4.45Å; F13-R18 HydrophobicContact CD2-CG 4.22Å; F13-R18 PolarHBondContact N-O 2.95Å; F13-R18 PolarHBondContact O-N 3.41Å; T16-R18 PolarHBondContact O-N 3.23Å; R18-D38 IonicContact CZ-OD2 2.87Å; R18-D38 IonicContact NH2-OD2 3.68Å; R18-D38 PolarHBondContact NH2-OD2 3.42Å
19V98.1Very high96.6Very high8 Ų865.3 Ų65.35%0.04831%0.309CS..EExtended strand (participates in β ladder)trans-128.3133.9178.8-176.20000108.4Y11 F12 V70 C74 R75Y11-V19 WeakPolarHBondContact O-CA 3.45Å; F12-V19 HydrophobicContact CD1-CB 4.47Å; F12-V19 HydrophobicContact CD1-CG1 4.01Å; F12-V19 HydrophobicContact CD1-CG2 3.73Å; F12-V19 HydrophobicContact CE1-CG1 3.8Å; F12-V19 HydrophobicContact CE1-CG2 4.04Å; F12-V19 HydrophobicContact CZ-CG1 4.5Å; V19-V70 HydrophobicContact CB-CG1 3.72Å; V19-V70 HydrophobicContact CG1-CG1 3.86Å; V19-V70 WeakPolarHBondContact O-CG1 3.03Å; V19-C74 HydrophobicContact CG1-CB 3.54Å; V19-R75 HydrophobicContact CB-CG 4.48Å; V19-R75 HydrophobicContact CG2-CG 3.84Å
20R98.4Very high96.6Very high68 Ų6868.3 Ų68.326%0.25732%0.323SS..EExtended strand (participates in β ladder)trans-121.7131.4175.4177.7-178.7179.9-158.94.6109.6C10 Y11 L22 D36 S37C10-R20 WeakPolarHBondContact CA-O 3.43Å; Y11-R20 PolarHBondContact N-O 3.28Å; Y11-R20 PolarHBondContact O-N 3.45Å; R20-L22 HydrophobicContact CG-CD2 4.45Å; R20-D36 IonicContact CZ-OD1 3.68Å; R20-D36 IonicContact CZ-OD2 3.53Å; R20-D36 IonicContact NE-OD1 3.39Å; R20-D36 PolarHBondContact NE-OD1 3.23Å; R20-D36 IonicContact NE-OD2 3.52Å; R20-D36 PolarHBondContact NE-OD2 2.84Å; R20-D36 IonicContact NH2-OD1 3.39Å; R20-D36 IonicContact NH2-OD2 2.64Å; R20-D36 PolarHBondContact NH2-OD2 2.84Å; R20-S37 WeakPolarHBondContact CA-OG 3.38Å
21F98.6Very high96.6Very high7 Ų768.3 Ų68.33%0.03132%0.319CS..EExtended strand (participates in β ladder)trans-108.2132.1175.4175.8-106.4000110.1E9 D23 F35 S37 L69 V70 Y73E9-F21 CarbonylContact O-C 3.58Å; E9-F21 WeakPolarHBondContact O-CA 3.45Å; E9-F21 WeakPolarHBondContact O-CD2 3.44Å; F21-D23 HydrophobicContact CE1-CB 3.73Å; F21-D23 HydrophobicContact CZ-CB 3.89Å; F21-F35 HydrophobicContact CD1-CD1 4.08Å; F21-F35 HydrophobicContact CD1-CE1 4.11Å; F21-F35 HydrophobicContact CE1-CD1 4.32Å; F21-S37 PolarHBondContact N-OG 3.28Å; F21-S37 PolarHBondContact O-N 2.82Å; F21-S37 PolarHBondContact O-OG 3.31Å; F21-L69 HydrophobicContact CD1-CB 3.86Å; F21-L69 HydrophobicContact CD1-CD1 4.15Å; F21-L69 HydrophobicContact CD2-CB 4.46Å; F21-L69 HydrophobicContact CE1-CB 3.96Å; F21-L69 HydrophobicContact CE1-CD1 3.38Å; F21-L69 HydrophobicContact CE1-CG 4.3Å; F21-L69 HydrophobicContact CE2-CD1 4.31Å; F21-L69 HydrophobicContact CG-CB 4.13Å; F21-L69 HydrophobicContact CZ-CB 4.29Å; F21-L69 HydrophobicContact CZ-CD1 3.47Å; F21-L69 VanDerWaalsContact CZ-CD1 3.47Å; F21-V70 HydrophobicContact CB-CG2 4.04Å; F21-Y73 HydrophobicContact CE2-CD1 4.47Å
22L98.6Very high96.7Very high6 Ų664.3 Ų64.33%0.03130%0.304CS..EExtended strand (participates in β ladder)trans-118.1133.1171-60.3-177.1000109.7G8 E9 Y11 R20 I24 F35 D36G8-L22 CarbonylContact C-O 3.54Å; G8-L22 WeakPolarHBondContact CA-O 3.45Å; E9-L22 HydrophobicContact CB-CB 4.35Å; E9-L22 PolarHBondContact N-O 2.78Å; E9-L22 PolarHBondContact O-N 3.48Å; Y11-L22 HydrophobicContact CD2-CD1 4.36Å; Y11-L22 HydrophobicContact CD2-CG 4.45Å; Y11-L22 HydrophobicContact CE2-CD1 3.69Å; Y11-L22 HydrophobicContact CE2-CG 4.15Å; R20-L22 HydrophobicContact CG-CD2 4.45Å; L22-I24 HydrophobicContact CB-CD1 4.05Å; L22-I24 HydrophobicContact CB-CG1 3.95Å; L22-I24 HydrophobicContact CD1-CD1 4.05Å; L22-F35 WeakPolarHBondContact CA-O 3.45Å; L22-D36 HydrophobicContact CD2-CB 3.7Å; L22-D36 VanDerWaalsContact CD2-CG 3.48Å; L22-D36 WeakPolarHBondContact CD2-OD1 3.42Å
23D98.5Very high96.8Very high11 Ų1161 Ų616%0.05929%0.289CS..EExtended strand (participates in β ladder)trans-117.9105.5168179.530.4000107.5T7 F21 Y25 R34 F35 Y42 R66T7-D23 WeakPolarHBondContact O-CA 3.41Å; F21-D23 HydrophobicContact CE1-CB 3.73Å; F21-D23 HydrophobicContact CZ-CB 3.89Å; D23-Y25 VanDerWaalsContact CG-CE2 3.46Å; D23-Y25 WeakPolarHBondContact OD1-CE2 3.17Å; D23-Y25 PolarHBondContact OD1-OH 3.36Å; D23-Y25 VanDerWaalsContact OD2-CE2 3.27Å; D23-Y25 WeakPolarHBondContact OD2-CE2 3.05Å; D23-Y25 PolarHBondContact OD2-OH 2.92Å; D23-R34 CarbonylContact O-C 3.54Å; D23-R34 VanDerWaalsContact O-CA 3.23Å; D23-R34 WeakPolarHBondContact O-CA 3.27Å; D23-F35 HydrophobicContact CB-CB 4.21Å; D23-F35 PolarHBondContact N-O 3.13Å; D23-F35 PolarHBondContact O-N 3.35Å; D23-Y42 PolarHBondContact OD2-OH 3.47Å; D23-R66 IonicContact OD2-CZ 2.72Å; D23-R66 IonicContact OD2-NE 2.86Å; D23-R66 PolarHBondContact OD2-NE 3.02Å; D23-R66 VanDerWaalsContact OD2-NE 3.1Å; D23-R66 IonicContact OD2-NH2 3.71Å
24I98.6Very high97Very high5 Ų559.3 Ų59.33%0.02628%0.28CS..EExtended strand (participates in β ladder)trans-116.3133.6-167.1-50.9171.1000109.7S6 T7 L22 F26 E31 R34S6-I24 CarbonylContact C-O 3.44Å; S6-I24 WeakPolarHBondContact CA-O 3.25Å; S6-I24 WeakPolarHBondContact CB-O 3.46Å; T7-I24 PolarHBondContact N-O 3.07Å; T7-I24 PolarHBondContact O-N 3.31Å; L22-I24 HydrophobicContact CB-CD1 4.05Å; L22-I24 HydrophobicContact CB-CG1 3.95Å; L22-I24 HydrophobicContact CD1-CD1 4.05Å; I24-F26 HydrophobicContact CB-CE2 3.79Å; I24-F26 HydrophobicContact CB-CZ 4.09Å; I24-F26 HydrophobicContact CG2-CD2 4.18Å; I24-F26 HydrophobicContact CG2-CE1 4.09Å; I24-F26 HydrophobicContact CG2-CE2 3.42Å; I24-F26 VanDerWaalsContact CG2-CE2 3.42Å; I24-F26 HydrophobicContact CG2-CZ 3.37Å; I24-E31 HydrophobicContact CG2-CB 4.32Å; I24-E31 HydrophobicContact CG2-CG 3.47Å; I24-E31 VanDerWaalsContact CG2-CG 3.47Å; I24-E31 WeakPolarHBondContact CG2-OE1 3.45Å; I24-R34 HydrophobicContact CG1-CB 4.25Å; I24-R34 HydrophobicContact CG2-CB 4.48Å
25Y98.4Very high97.2Very high35 Ų3552.8 Ų52.814%0.13725%0.245CC..EExtended strand (participates in β ladder)trans-115.4135.2-179.7-62.4-105.8000111.1D23 E31 Y32 V33 Y42 W56D23-Y25 VanDerWaalsContact CG-CE2 3.46Å; D23-Y25 WeakPolarHBondContact OD1-CE2 3.17Å; D23-Y25 PolarHBondContact OD1-OH 3.36Å; D23-Y25 VanDerWaalsContact OD2-CE2 3.27Å; D23-Y25 WeakPolarHBondContact OD2-CE2 3.05Å; D23-Y25 PolarHBondContact OD2-OH 2.92Å; Y25-E31 WeakPolarHBondContact O-CA 3.39Å; Y25-Y32 VanDerWaalsContact O-CD1 3.25Å; Y25-Y32 WeakPolarHBondContact O-CD1 3.38Å; Y25-Y32 PolarHBondContact O-N 2.94Å; Y25-V33 HydrophobicContact CD2-CG1 3.9Å; Y25-V33 HydrophobicContact CG-CG1 3.96Å; Y25-V33 PolarHBondContact N-O 2.72Å; Y25-Y42 AromaticContact CE2-CE1 3.89Å; Y25-Y42 HydrophobicContact CE2-CE1 3.89Å; Y25-W56 AromaticContact CD1-CH2 3.83Å; Y25-W56 HydrophobicContact CD1-CH2 3.83Å; Y25-W56 AromaticContact CD2-CH2 3.99Å; Y25-W56 HydrophobicContact CD2-CH2 3.99Å; Y25-W56 AromaticContact CD2-CZ3 3.87Å; Y25-W56 HydrophobicContact CD2-CZ3 3.87Å; Y25-W56 AromaticContact CE1-CH2 3.6Å; Y25-W56 HydrophobicContact CE1-CH2 3.6Å; Y25-W56 HydrophobicContact CE1-CZ2 4.29Å; Y25-W56 HydrophobicContact CE1-CZ3 4.36Å; Y25-W56 AromaticContact CE2-CH2 3.81Å; Y25-W56 HydrophobicContact CE2-CH2 3.81Å; Y25-W56 AromaticContact CE2-CZ3 3.73Å; Y25-W56 HydrophobicContact CE2-CZ3 3.73Å; Y25-W56 HydrophobicContact CG-CH2 4.04Å; Y25-W56 HydrophobicContact CG-CZ3 4.31Å; Y25-W56 AromaticContact CZ-CH2 3.62Å; Y25-W56 AromaticContact CZ-CZ3 4Å
26F98.4Very high97.7Very high28 Ų2852.1 Ų52.112%0.12323%0.234CC..EExtended strand (participates in β ladder)trans-123.1137.5-173.9-60.5-92.4000111.9E4 Y5 T7 I24 E30 E31E4-F26 WeakPolarHBondContact CA-O 3.28Å; Y5-F26 HydrophobicContact CD1-CB 3.83Å; Y5-F26 HydrophobicContact CD2-CB 4.31Å; Y5-F26 AromaticContact CD2-CD2 3.79Å; Y5-F26 HydrophobicContact CD2-CD2 3.79Å; Y5-F26 HydrophobicContact CD2-CE2 4.5Å; Y5-F26 HydrophobicContact CD2-CG 4.3Å; Y5-F26 HydrophobicContact CE1-CB 3.49Å; Y5-F26 VanDerWaalsContact CE1-CB 3.49Å; Y5-F26 HydrophobicContact CE1-CD2 4.46Å; Y5-F26 HydrophobicContact CE1-CG 4.02Å; Y5-F26 HydrophobicContact CE2-CB 4Å; Y5-F26 HydrophobicContact CE2-CD1 4.45Å; Y5-F26 AromaticContact CE2-CD2 3.38Å; Y5-F26 HydrophobicContact CE2-CD2 3.38Å; Y5-F26 AromaticContact CE2-CE2 3.91Å; Y5-F26 HydrophobicContact CE2-CE2 3.91Å; Y5-F26 AromaticContact CE2-CG 3.7Å; Y5-F26 HydrophobicContact CE2-CG 3.7Å; Y5-F26 HydrophobicContact CG-CB 4.24Å; Y5-F26 HydrophobicContact CG-CD2 4.48Å; Y5-F26 AromaticContact CZ-CD2 3.77Å; Y5-F26 AromaticContact CZ-CG 3.54Å; Y5-F26 PolarHBondContact N-O 3.42Å; Y5-F26 PolarHBondContact O-N 3.5Å; T7-F26 HydrophobicContact CG2-CE2 4Å; I24-F26 HydrophobicContact CB-CE2 3.79Å; I24-F26 HydrophobicContact CB-CZ 4.09Å; I24-F26 HydrophobicContact CG2-CD2 4.18Å; I24-F26 HydrophobicContact CG2-CE1 4.09Å; I24-F26 HydrophobicContact CG2-CE2 3.42Å; I24-F26 VanDerWaalsContact CG2-CE2 3.42Å; I24-F26 HydrophobicContact CG2-CZ 3.37Å; F26-E30 CarbonylContact C-O 3.48Å; F26-E30 VanDerWaalsContact CA-O 3.28Å; F26-E30 WeakPolarHBondContact CA-O 3.39Å; F26-E31 HydrophobicContact CD1-CB 3.93Å; F26-E31 HydrophobicContact CE1-CB 3.77Å; F26-E31 HydrophobicContact CE1-CG 4.48Å
27Y97.1Very high97.9Very high96 Ų9650.6 Ų50.638%0.37623%0.226SC..EExtended strand (participates in β ladder)trans-122114.8171.4-172.2-86.4000108.1F2 Q29 E30 L48F2-Y27 HydrophobicContact CD2-CD2 4.32Å; F2-Y27 HydrophobicContact CD2-CE1 4.4Å; F2-Y27 AromaticContact CD2-CE2 3.66Å; F2-Y27 HydrophobicContact CD2-CE2 3.66Å; F2-Y27 AromaticContact CD2-CZ 3.66Å; F2-Y27 AromaticContact CE2-CD2 3.4Å; F2-Y27 HydrophobicContact CE2-CD2 3.4Å; F2-Y27 VanDerWaalsContact CE2-CD2 3.4Å; F2-Y27 HydrophobicContact CE2-CE1 4.36Å; F2-Y27 AromaticContact CE2-CE2 2.97Å; F2-Y27 HydrophobicContact CE2-CE2 2.97Å; F2-Y27 HydrophobicContact CE2-CG 4.24Å; F2-Y27 AromaticContact CE2-CZ 3.5Å; F2-Y27 VanDerWaalsContact CE2-CZ 3.5Å; F2-Y27 HydrophobicContact CZ-CD2 4.13Å; F2-Y27 AromaticContact CZ-CE2 3.72Å; F2-Y27 HydrophobicContact CZ-CE2 3.72Å; Y27-Q29 VanDerWaalsContact C-N 3.29Å; Y27-Q29 PolarHBondContact O-N 3.37Å; Y27-E30 PolarHBondContact N-O 2.9Å; Y27-E30 WeakPolarHBondContact O-CB 3.25Å; Y27-E30 PolarHBondContact O-N 3.32Å; Y27-L48 HydrophobicContact CD1-CD2 4.2Å; Y27-L48 HydrophobicContact CD2-CD2 4.32Å; Y27-L48 HydrophobicContact CG-CD2 3.94Å
28N96.1Very high98.1Very high71 Ų7147.1 Ų47.138%0.3821%0.212SC..THydrogen-bonded Turntrans49.944.8-175-63.2-38.8000114.1F2 L3 E30F2-N28 WeakPolarHBondContact CA-OD1 3.41Å; L3-N28 PolarHBondContact N-OD1 2.69Å; L3-N28 PolarHBondContact O-N 3.47Å; N28-E30 PolarHBondContact O-N 3.01Å
29Q95.5Very high98.1Very high154 Ų15443.8 Ų43.872%0.7221%0.207SC*.THydrogen-bonded Turntrans72.2-1.8-177.5-50.1166.156.500115.1Y27Y27-Q29 VanDerWaalsContact C-N 3.29Å; Y27-Q29 PolarHBondContact O-N 3.37Å
30E97.8Very high98.1Very high122 Ų12243.9 Ų43.957%0.5721%0.21SC*.EExtended strand (participates in β ladder)trans-92.1123.3172.1-172.2174.8-178.900109.6F26 Y27 N28 Y32 T46F26-E30 CarbonylContact C-O 3.48Å; F26-E30 VanDerWaalsContact CA-O 3.28Å; F26-E30 WeakPolarHBondContact CA-O 3.39Å; Y27-E30 PolarHBondContact N-O 2.9Å; Y27-E30 WeakPolarHBondContact O-CB 3.25Å; Y27-E30 PolarHBondContact O-N 3.32Å; N28-E30 PolarHBondContact O-N 3.01Å; E30-Y32 PolarHBondContact O-N 3.2Å; E30-T46 HydrophobicContact CG-CG2 4.11Å; E30-T46 VanDerWaalsContact OE1-CG2 3.25Å; E30-T46 WeakPolarHBondContact OE1-CG2 3.49Å
31E98.4Very high98.1Very high37 Ų3743.6 Ų43.617%0.17321%0.211CC..EExtended strand (participates in β ladder)trans-66.6125.8171.7178.2176.8168.700109.6I24 Y25 F26 R34 V45 T46I24-E31 HydrophobicContact CG2-CB 4.32Å; I24-E31 HydrophobicContact CG2-CG 3.47Å; I24-E31 VanDerWaalsContact CG2-CG 3.47Å; I24-E31 WeakPolarHBondContact CG2-OE1 3.45Å; Y25-E31 WeakPolarHBondContact O-CA 3.39Å; F26-E31 HydrophobicContact CD1-CB 3.93Å; F26-E31 HydrophobicContact CE1-CB 3.77Å; F26-E31 HydrophobicContact CE1-CG 4.48Å; E31-R34 VanDerWaalsContact CD-NH2 3.32Å; E31-R34 WeakPolarHBondContact OE1-CB 3.46Å; E31-R34 WeakPolarHBondContact OE1-CG 3.49Å; E31-R34 IonicContact OE1-CZ 2.8Å; E31-R34 IonicContact OE1-NE 3.33Å; E31-R34 PolarHBondContact OE1-NE 3.36Å; E31-R34 IonicContact OE1-NH2 2.61Å; E31-R34 PolarHBondContact OE1-NH2 3.31Å; E31-R34 IonicContact OE2-CZ 2.95Å; E31-R34 IonicContact OE2-NE 3.1Å; E31-R34 IonicContact OE2-NH2 3.9Å; E31-R34 PolarHBondContact OE2-NH2 3.03Å; E31-V45 HydrophobicContact CG-CB 4.15Å; E31-V45 HydrophobicContact CG-CG1 4.33Å; E31-V45 HydrophobicContact CG-CG2 3.87Å; E31-V45 VanDerWaalsContact OE1-CG2 3.31Å; E31-V45 WeakPolarHBondContact OE1-CG2 3.45Å; E31-T46 WeakPolarHBondContact O-CG2 3.49Å
32Y98.6Very high98.1Very high17 Ų1743.5 Ų43.57%0.06721%0.211CC..EExtended strand (participates in β ladder)trans-113.5-28.6-178.770.3-89.8000113.6E4 Y25 E30 V45 T46 L48 G49E4-Y32 PolarHBondContact OE1-OH 2.97Å; Y25-Y32 VanDerWaalsContact O-CD1 3.25Å; Y25-Y32 WeakPolarHBondContact O-CD1 3.38Å; Y25-Y32 PolarHBondContact O-N 2.94Å; E30-Y32 PolarHBondContact O-N 3.2Å; Y32-V45 PolarHBondContact O-N 3.13Å; Y32-T46 WeakPolarHBondContact CA-OG1 3.46Å; Y32-T46 WeakPolarHBondContact CB-OG1 3.41Å; Y32-T46 PolarHBondContact O-N 2.89Å; Y32-L48 HydrophobicContact CG-CD2 4.37Å; Y32-G49 WeakPolarHBondContact O-CA 3.44Å
33V98.8Very high98.2Very high0 Ų050 Ų500%024%0.235CC..EExtended strand (participates in β ladder)trans-151.6146.217663.80000110.4Y25 Y42 R43 A53 W56Y25-V33 HydrophobicContact CD2-CG1 3.9Å; Y25-V33 HydrophobicContact CG-CG1 3.96Å; Y25-V33 PolarHBondContact N-O 2.72Å; V33-Y42 HydrophobicContact CG2-CD1 4.12Å; V33-R43 WeakPolarHBondContact CA-O 3.2Å; V33-R43 WeakPolarHBondContact CG2-O 3.2Å; V33-A53 HydrophobicContact CG2-CB 3.99Å; V33-W56 HydrophobicContact CG1-CH2 4.21Å; V33-W56 HydrophobicContact CG1-CZ3 3.64Å; V33-W56 HydrophobicContact CG2-CE3 4.46Å; V33-W56 HydrophobicContact CG2-CZ3 4.22Å
34R98.7Very high98.2Very high62 Ų6251.7 Ų51.723%0.23425%0.25CC..EExtended strand (participates in β ladder)trans-139.2150.1172.360162.151.3177.92.4113.3D23 I24 E31 Y42 R43 V45D23-R34 CarbonylContact O-C 3.54Å; D23-R34 VanDerWaalsContact O-CA 3.23Å; D23-R34 WeakPolarHBondContact O-CA 3.27Å; I24-R34 HydrophobicContact CG1-CB 4.25Å; I24-R34 HydrophobicContact CG2-CB 4.48Å; E31-R34 VanDerWaalsContact CD-NH2 3.32Å; E31-R34 WeakPolarHBondContact OE1-CB 3.46Å; E31-R34 WeakPolarHBondContact OE1-CG 3.49Å; E31-R34 IonicContact OE1-CZ 2.8Å; E31-R34 IonicContact OE1-NE 3.33Å; E31-R34 PolarHBondContact OE1-NE 3.36Å; E31-R34 IonicContact OE1-NH2 2.61Å; E31-R34 PolarHBondContact OE1-NH2 3.31Å; E31-R34 IonicContact OE2-CZ 2.95Å; E31-R34 IonicContact OE2-NE 3.1Å; E31-R34 IonicContact OE2-NH2 3.9Å; E31-R34 PolarHBondContact OE2-NH2 3.03Å; R34-Y42 CarbonylContact O-C 3.44Å; R34-Y42 VanDerWaalsContact O-CA 3.22Å; R34-Y42 WeakPolarHBondContact O-CA 3.25Å; R34-R43 PolarHBondContact N-O 2.75Å; R34-R43 PolarHBondContact O-N 2.78Å; R34-V45 HydrophobicContact CG-CG2 4.13Å
35F98.8Very high98.1Very high0 Ų055.2 Ų55.20%027%0.272CS..EExtended strand (participates in β ladder)trans-97.7139.4155.3173.3-86.8000109.2F21 L22 D23 G40 Y42 L63 R66 R67F21-F35 HydrophobicContact CD1-CD1 4.08Å; F21-F35 HydrophobicContact CD1-CE1 4.11Å; F21-F35 HydrophobicContact CE1-CD1 4.32Å; L22-F35 WeakPolarHBondContact CA-O 3.45Å; D23-F35 HydrophobicContact CB-CB 4.21Å; D23-F35 PolarHBondContact N-O 3.13Å; D23-F35 PolarHBondContact O-N 3.35Å; F35-G40 VanDerWaalsContact CE2-C 3.43Å; F35-Y42 HydrophobicContact CB-CD1 3.6Å; F35-Y42 HydrophobicContact CB-CD2 4.18Å; F35-Y42 HydrophobicContact CB-CE1 3.43Å; F35-Y42 VanDerWaalsContact CB-CE1 3.43Å; F35-Y42 HydrophobicContact CB-CE2 4.04Å; F35-Y42 HydrophobicContact CB-CG 3.98Å; F35-Y42 HydrophobicContact CD2-CD2 4.15Å; F35-Y42 HydrophobicContact CD2-CE2 4.17Å; F35-Y42 HydrophobicContact CG-CE2 4.46Å; F35-L63 HydrophobicContact CD2-CD1 4.27Å; F35-L63 HydrophobicContact CE2-CD1 4.12Å; F35-R66 HydrophobicContact CD1-CB 4.15Å; F35-R66 HydrophobicContact CD2-CB 3.98Å; F35-R66 HydrophobicContact CE1-CB 3.96Å; F35-R66 WeakPolarHBondContact CE1-O 3.49Å; F35-R66 HydrophobicContact CE2-CB 3.77Å; F35-R66 HydrophobicContact CG-CB 4.17Å; F35-R66 HydrophobicContact CZ-CB 3.77Å; F35-R67 HydrophobicContact CE2-CG 4.22Å; F35-R67 HydrophobicContact CZ-CG 3.87Å
36D98.6Very high98.1Very high17 Ų1755.1 Ų55.19%0.09128%0.275CS..EExtended strand (participates in β ladder)trans-128.7121175.1-177.9-8.3000108.8R20 L22 D38 V39 G40R20-D36 IonicContact CZ-OD1 3.68Å; R20-D36 IonicContact CZ-OD2 3.53Å; R20-D36 IonicContact NE-OD1 3.39Å; R20-D36 PolarHBondContact NE-OD1 3.23Å; R20-D36 IonicContact NE-OD2 3.52Å; R20-D36 PolarHBondContact NE-OD2 2.84Å; R20-D36 IonicContact NH2-OD1 3.39Å; R20-D36 IonicContact NH2-OD2 2.64Å; R20-D36 PolarHBondContact NH2-OD2 2.84Å; L22-D36 HydrophobicContact CD2-CB 3.7Å; L22-D36 VanDerWaalsContact CD2-CG 3.48Å; L22-D36 WeakPolarHBondContact CD2-OD1 3.42Å; D36-D38 PolarHBondContact O-N 3.3Å; D36-D38 PolarHBondContact OD1-N 2.99Å; D36-V39 HydrophobicContact CB-CB 4.27Å; D36-V39 HydrophobicContact CB-CG2 3.96Å; D36-V39 CarbonylContact O-C 3.56Å; D36-V39 WeakPolarHBondContact O-CA 3.49Å; D36-V39 PolarHBondContact O-N 3.14Å; D36-G40 PolarHBondContact O-N 3.24Å
37S98.5Very high98.1Very high25 Ų2560.1 Ų60.118%0.17530%0.298CS..THydrogen-bonded Turntrans-62.1-26.4-178.166.30000113.6R20 F21 V39R20-S37 WeakPolarHBondContact CA-OG 3.38Å; F21-S37 PolarHBondContact N-OG 3.28Å; F21-S37 PolarHBondContact O-N 2.82Å; F21-S37 PolarHBondContact O-OG 3.31Å; S37-V39 PolarHBondContact O-N 2.97Å
38D98.1Very high98.1Very high77 Ų7760 Ų6041%0.41230%0.304SS..THydrogen-bonded Turntrans-71.1-22.1175.9-77.87.3000111.4R18 D36R18-D38 IonicContact CZ-OD2 2.87Å; R18-D38 IonicContact NH2-OD2 3.68Å; R18-D38 PolarHBondContact NH2-OD2 3.42Å; D36-D38 PolarHBondContact O-N 3.3Å; D36-D38 PolarHBondContact OD1-N 2.99Å
39V98.3Very high98.2Very high74 Ų7456.7 Ų56.745%0.44829%0.286SS..THydrogen-bonded Turntrans-96.7-37.8175-172.40000111.1D36 S37 E41D36-V39 HydrophobicContact CB-CB 4.27Å; D36-V39 HydrophobicContact CB-CG2 3.96Å; D36-V39 CarbonylContact O-C 3.56Å; D36-V39 WeakPolarHBondContact O-CA 3.49Å; D36-V39 PolarHBondContact O-N 3.14Å; S37-V39 PolarHBondContact O-N 2.97Å; V39-E41 HydrophobicContact CG1-CG 3.98Å
40G98.2Very high98.3Very high9 Ų955.1 Ų55.19%0.09327%0.274CS..THydrogen-bonded Turntrans81.715.8178.900000114.9F35 D36 R67F35-G40 VanDerWaalsContact CE2-C 3.43Å; D36-G40 PolarHBondContact O-N 3.24Å; G40-R67 VanDerWaalsContact O-CZ 3.27Å; G40-R67 PolarHBondContact O-NE 2.89Å; G40-R67 PolarHBondContact O-NH2 3.43Å
41E98.6Very high98.4Very high63 Ų6353.2 Ų53.229%0.29427%0.272SS..EExtended strand (participates in β ladder)trans-150.9165.5177.376.1-169.9178.800112.6V39 R43 L63V39-E41 HydrophobicContact CG1-CG 3.98Å; E41-R43 HydrophobicContact CG-CG 4.27Å; E41-R43 IonicContact OE1-CZ 3.8Å; E41-R43 IonicContact OE1-NE 2.77Å; E41-R43 PolarHBondContact OE1-NE 3.4Å; E41-R43 IonicContact OE1-NH2 3.82Å; E41-R43 PolarHBondContact OE1-NH2 3.01Å; E41-L63 HydrophobicContact CB-CD1 4.32Å
42Y98.7Very high98.4Very high4 Ų453 Ų532%0.01627%0.274CS..EExtended strand (participates in β ladder)trans-77135.6171.4-75.6-86.3000111.2D23 Y25 V33 R34 F35 W56 N57 L63 R66D23-Y42 PolarHBondContact OD2-OH 3.47Å; Y25-Y42 AromaticContact CE2-CE1 3.89Å; Y25-Y42 HydrophobicContact CE2-CE1 3.89Å; V33-Y42 HydrophobicContact CG2-CD1 4.12Å; R34-Y42 CarbonylContact O-C 3.44Å; R34-Y42 VanDerWaalsContact O-CA 3.22Å; R34-Y42 WeakPolarHBondContact O-CA 3.25Å; F35-Y42 HydrophobicContact CB-CD1 3.6Å; F35-Y42 HydrophobicContact CB-CD2 4.18Å; F35-Y42 HydrophobicContact CB-CE1 3.43Å; F35-Y42 VanDerWaalsContact CB-CE1 3.43Å; F35-Y42 HydrophobicContact CB-CE2 4.04Å; F35-Y42 HydrophobicContact CB-CG 3.98Å; F35-Y42 HydrophobicContact CD2-CD2 4.15Å; F35-Y42 HydrophobicContact CD2-CE2 4.17Å; F35-Y42 HydrophobicContact CG-CE2 4.46Å; Y42-W56 HydrophobicContact CD1-CD2 4.49Å; Y42-W56 AromaticContact CD1-CE3 3.4Å; Y42-W56 HydrophobicContact CD1-CE3 3.4Å; Y42-W56 AromaticContact CD1-CZ3 3.8Å; Y42-W56 HydrophobicContact CD1-CZ3 3.8Å; Y42-W56 HydrophobicContact CD2-CB 3.59Å; Y42-W56 HydrophobicContact CD2-CE3 4.12Å; Y42-W56 HydrophobicContact CD2-CG 4.41Å; Y42-W56 HydrophobicContact CE1-CD2 4.38Å; Y42-W56 AromaticContact CE1-CE3 3.45Å; Y42-W56 HydrophobicContact CE1-CE3 3.45Å; Y42-W56 VanDerWaalsContact CE1-CE3 3.45Å; Y42-W56 AromaticContact CE1-CZ3 3.66Å; Y42-W56 HydrophobicContact CE1-CZ3 3.66Å; Y42-W56 HydrophobicContact CE2-CB 3.88Å; Y42-W56 HydrophobicContact CE2-CD2 4.44Å; Y42-W56 HydrophobicContact CE2-CE3 4.16Å; Y42-W56 HydrophobicContact CE2-CG 4.38Å; Y42-W56 HydrophobicContact CG-CB 4.13Å; Y42-W56 AromaticContact CG-CE3 3.75Å; Y42-W56 HydrophobicContact CG-CE3 3.75Å; Y42-W56 AromaticContact CZ-CE3 3.84Å; Y42-N57 WeakPolarHBondContact CB-OD1 3.36Å; Y42-N57 PolarHBondContact N-OD1 3.06Å; Y42-N57 PolarHBondContact O-ND2 2.88Å; Y42-L63 HydrophobicContact CD2-CD1 4.19Å; Y42-R66 HydrophobicContact CE2-CG 4.05Å; Y42-R66 WeakPolarHBondContact OH-CD 3.06Å; Y42-R66 WeakPolarHBondContact OH-CG 3.25Å; Y42-R66 PolarHBondContact OH-NE 2.87Å
43R98.8Very high98.4Very high144 Ų14452.5 Ų52.554%0.54327%0.274SS..EExtended strand (participates in β ladder)trans-127.3132.1172.7-66-145.3169.7177.40.6111.1V33 R34 E41 V45V33-R43 WeakPolarHBondContact CA-O 3.2Å; V33-R43 WeakPolarHBondContact CG2-O 3.2Å; R34-R43 PolarHBondContact N-O 2.75Å; R34-R43 PolarHBondContact O-N 2.78Å; E41-R43 HydrophobicContact CG-CG 4.27Å; E41-R43 IonicContact OE1-CZ 3.8Å; E41-R43 IonicContact OE1-NE 2.77Å; E41-R43 PolarHBondContact OE1-NE 3.4Å; E41-R43 IonicContact OE1-NH2 3.82Å; E41-R43 PolarHBondContact OE1-NH2 3.01Å; R43-V45 PolarHBondContact O-N 2.8Å
44A98.6Very high98.4Very high45 Ų4558.5 Ų58.537%0.37230%0.302SS..EExtended strand (participates in β ladder)trans-66.7129.7169.800000109.5G49 R50 A53A44-G49 VanDerWaalsContact CB-C 3.48Å; A44-R50 HydrophobicContact CB-CB 4.36Å; A44-A53 HydrophobicContact CB-CB 4.3Å
45V98.3Very high98.4Very high80 Ų8062.1 Ų62.149%0.48532%0.317SS..SBendtrans-91.7-31.7172.8177.90000110.3E31 Y32 R34 R43E31-V45 HydrophobicContact CG-CB 4.15Å; E31-V45 HydrophobicContact CG-CG1 4.33Å; E31-V45 HydrophobicContact CG-CG2 3.87Å; E31-V45 VanDerWaalsContact OE1-CG2 3.31Å; E31-V45 WeakPolarHBondContact OE1-CG2 3.45Å; Y32-V45 PolarHBondContact O-N 3.13Å; R34-V45 HydrophobicContact CG-CG2 4.13Å; R43-V45 PolarHBondContact O-N 2.8Å
46T98.1Very high98.3Very high33 Ų3364.3 Ų64.320%0.20233%0.325CS..SBendtrans-127.3165.7174.169.70000109.7E30 E31 Y32 L48 G49E30-T46 HydrophobicContact CG-CG2 4.11Å; E30-T46 VanDerWaalsContact OE1-CG2 3.25Å; E30-T46 WeakPolarHBondContact OE1-CG2 3.49Å; E31-T46 WeakPolarHBondContact O-CG2 3.49Å; Y32-T46 WeakPolarHBondContact CA-OG1 3.46Å; Y32-T46 WeakPolarHBondContact CB-OG1 3.41Å; Y32-T46 PolarHBondContact O-N 2.89Å; T46-L48 PolarHBondContact O-N 3.46Å; T46-L48 VanDerWaalsContact O-N 3.14Å; T46-G49 PolarHBondContact O-N 3.3Å
47E97.7Very high98.3Very high132 Ų13265.8 Ų65.862%0.61733%0.333SS*.G310 helixtrans-57.6-29.4178.1-70.7-58.8149.900113.3G49 R50E47-G49 PolarHBondContact O-N 2.92Å; E47-R50 WeakPolarHBondContact O-CB 3.48Å; E47-R50 PolarHBondContact O-N 3.16Å; E47-R50 IonicContact OE1-CZ 3.95Å; E47-R50 IonicContact OE1-NH2 3.62Å; E47-R50 PolarHBondContact OE1-NH2 2.83Å; E47-R50 IonicContact OE2-CZ 3.16Å; E47-R50 IonicContact OE2-NE 2.89Å; E47-R50 PolarHBondContact OE2-NE 3.26Å; E47-R50 IonicContact OE2-NH2 2.63Å; E47-R50 PolarHBondContact OE2-NH2 3.48Å
48L96.8Very high98.3Very high95 Ų9568.6 Ų68.650%0.49735%0.353SS..G310 helixtrans-60.2-33.8176.9-177.666.1000112.4Y27 Y32 T46 P51Y27-L48 HydrophobicContact CD1-CD2 4.2Å; Y27-L48 HydrophobicContact CD2-CD2 4.32Å; Y27-L48 HydrophobicContact CG-CD2 3.94Å; Y32-L48 HydrophobicContact CG-CD2 4.37Å; T46-L48 PolarHBondContact O-N 3.46Å; T46-L48 VanDerWaalsContact O-N 3.14Å; L48-P51 WeakPolarHBondContact O-CD 3.46Å
49G98.4Very high98.3Very high0 Ų067.5 Ų67.50%035%0.345CS..G310 helixtrans-85.6-8.1-177.300000115.7Y32 A44 T46 E47 S52 A53Y32-G49 WeakPolarHBondContact O-CA 3.44Å; A44-G49 VanDerWaalsContact CB-C 3.48Å; T46-G49 PolarHBondContact O-N 3.3Å; E47-G49 PolarHBondContact O-N 2.92Å; G49-S52 PolarHBondContact O-N 2.86Å; G49-A53 WeakPolarHBondContact O-CB 3.22Å; G49-A53 PolarHBondContact O-N 3.1Å
50R98.7Very high98.3Very high122 Ų12271.1 Ų71.146%0.4636%0.355SS..Hα-helixtrans-52.1-52.9178.5-172-171.6-64.6-120.5-0.8113A44 E47 S52 A53 E54A44-R50 HydrophobicContact CB-CB 4.36Å; E47-R50 WeakPolarHBondContact O-CB 3.48Å; E47-R50 PolarHBondContact O-N 3.16Å; E47-R50 IonicContact OE1-CZ 3.95Å; E47-R50 IonicContact OE1-NH2 3.62Å; E47-R50 PolarHBondContact OE1-NH2 2.83Å; E47-R50 IonicContact OE2-CZ 3.16Å; E47-R50 IonicContact OE2-NE 2.89Å; E47-R50 PolarHBondContact OE2-NE 3.26Å; E47-R50 IonicContact OE2-NH2 2.63Å; E47-R50 PolarHBondContact OE2-NH2 3.48Å; R50-S52 VanDerWaalsContact C-N 3.32Å; R50-S52 PolarHBondContact O-N 2.84Å; R50-A53 PolarHBondContact O-N 2.77Å; R50-E54 WeakPolarHBondContact CG-OE1 3.24Å; R50-E54 WeakPolarHBondContact O-CG 3.48Å; R50-E54 PolarHBondContact O-N 2.82Å
51P98.5Very high98.3Very high82 Ų8276.6 Ų76.653%0.53238%0.382SS..Hα-helixtrans-61.9-37.917923.8-35.1000112.9L48 Y55L48-P51 WeakPolarHBondContact O-CD 3.46Å; P51-Y55 VanDerWaalsContact O-CB 3.25Å; P51-Y55 WeakPolarHBondContact O-CB 3.36Å; P51-Y55 PolarHBondContact O-N 2.75Å
52S98.3Very high98.2Very high31 Ų3176 Ų7622%0.21738%0.38CS..Hα-helixtrans-66.7-44.2178.2-56.10000111.8G49 R50 Y55 W56G49-S52 PolarHBondContact O-N 2.86Å; R50-S52 VanDerWaalsContact C-N 3.32Å; R50-S52 PolarHBondContact O-N 2.84Å; S52-Y55 PolarHBondContact O-N 3.03Å; S52-W56 WeakPolarHBondContact O-CB 3.23Å; S52-W56 PolarHBondContact O-N 3.5Å
53A98.6Very high98.1Very high8 Ų876.5 Ų76.57%0.06638%0.383CS..Hα-helixtrans-62.1-47.3177.400000111.6V33 A44 G49 R50 Y55 N57V33-A53 HydrophobicContact CG2-CB 3.99Å; A44-A53 HydrophobicContact CB-CB 4.3Å; G49-A53 WeakPolarHBondContact O-CB 3.22Å; G49-A53 PolarHBondContact O-N 3.1Å; R50-A53 PolarHBondContact O-N 2.77Å; A53-Y55 PolarHBondContact O-N 2.94Å; A53-N57 WeakPolarHBondContact O-CB 3.43Å; A53-N57 PolarHBondContact O-N 3.36Å; A53-N57 PolarHBondContact O-ND2 2.9Å; A53-N57 VanDerWaalsContact O-ND2 3.13Å
54E98.6Very high98.1Very high125 Ų12575.5 Ų75.558%0.58439%0.385SS*.Hα-helixtrans-59.9-46.8176.8-72.4173.4-173.100111.6R50 S58R50-E54 WeakPolarHBondContact CG-OE1 3.24Å; R50-E54 WeakPolarHBondContact O-CG 3.48Å; R50-E54 PolarHBondContact O-N 2.82Å; E54-S58 WeakPolarHBondContact O-CB 3.48Å; E54-S58 PolarHBondContact O-N 2.96Å
55Y98.5Very high98.1Very high138 Ų13878.5 Ų78.554%0.54139%0.394SS..Hα-helixtrans-64.1-48.1-179.7176.8-114.5000112.6P51 S52 A53 S58 Q59P51-Y55 VanDerWaalsContact O-CB 3.25Å; P51-Y55 WeakPolarHBondContact O-CB 3.36Å; P51-Y55 PolarHBondContact O-N 2.75Å; S52-Y55 PolarHBondContact O-N 3.03Å; A53-Y55 PolarHBondContact O-N 2.94Å; Y55-S58 PolarHBondContact O-N 3.41Å; Y55-S58 PolarHBondContact O-OG 2.87Å; Y55-Q59 PolarHBondContact O-NE2 2.91Å; Y55-Q59 PolarHBondContact OH-NE2 2.95Å
56W98.4Very high98.1Very high46 Ų4678 Ų7817%0.17438%0.384CS..Hα-helixtrans-69.9-36.6-179.9-66.5-30.1000112.7Y25 V33 Y42 S52 S58 Q59Y25-W56 AromaticContact CD1-CH2 3.83Å; Y25-W56 HydrophobicContact CD1-CH2 3.83Å; Y25-W56 AromaticContact CD2-CH2 3.99Å; Y25-W56 HydrophobicContact CD2-CH2 3.99Å; Y25-W56 AromaticContact CD2-CZ3 3.87Å; Y25-W56 HydrophobicContact CD2-CZ3 3.87Å; Y25-W56 AromaticContact CE1-CH2 3.6Å; Y25-W56 HydrophobicContact CE1-CH2 3.6Å; Y25-W56 HydrophobicContact CE1-CZ2 4.29Å; Y25-W56 HydrophobicContact CE1-CZ3 4.36Å; Y25-W56 AromaticContact CE2-CH2 3.81Å; Y25-W56 HydrophobicContact CE2-CH2 3.81Å; Y25-W56 AromaticContact CE2-CZ3 3.73Å; Y25-W56 HydrophobicContact CE2-CZ3 3.73Å; Y25-W56 HydrophobicContact CG-CH2 4.04Å; Y25-W56 HydrophobicContact CG-CZ3 4.31Å; Y25-W56 AromaticContact CZ-CH2 3.62Å; Y25-W56 AromaticContact CZ-CZ3 4Å; V33-W56 HydrophobicContact CG1-CH2 4.21Å; V33-W56 HydrophobicContact CG1-CZ3 3.64Å; V33-W56 HydrophobicContact CG2-CE3 4.46Å; V33-W56 HydrophobicContact CG2-CZ3 4.22Å; Y42-W56 HydrophobicContact CD1-CD2 4.49Å; Y42-W56 AromaticContact CD1-CE3 3.4Å; Y42-W56 HydrophobicContact CD1-CE3 3.4Å; Y42-W56 AromaticContact CD1-CZ3 3.8Å; Y42-W56 HydrophobicContact CD1-CZ3 3.8Å; Y42-W56 HydrophobicContact CD2-CB 3.59Å; Y42-W56 HydrophobicContact CD2-CE3 4.12Å; Y42-W56 HydrophobicContact CD2-CG 4.41Å; Y42-W56 HydrophobicContact CE1-CD2 4.38Å; Y42-W56 AromaticContact CE1-CE3 3.45Å; Y42-W56 HydrophobicContact CE1-CE3 3.45Å; Y42-W56 VanDerWaalsContact CE1-CE3 3.45Å; Y42-W56 AromaticContact CE1-CZ3 3.66Å; Y42-W56 HydrophobicContact CE1-CZ3 3.66Å; Y42-W56 HydrophobicContact CE2-CB 3.88Å; Y42-W56 HydrophobicContact CE2-CD2 4.44Å; Y42-W56 HydrophobicContact CE2-CE3 4.16Å; Y42-W56 HydrophobicContact CE2-CG 4.38Å; Y42-W56 HydrophobicContact CG-CB 4.13Å; Y42-W56 AromaticContact CG-CE3 3.75Å; Y42-W56 HydrophobicContact CG-CE3 3.75Å; Y42-W56 AromaticContact CZ-CE3 3.84Å; S52-W56 WeakPolarHBondContact O-CB 3.23Å; S52-W56 PolarHBondContact O-N 3.5Å; W56-S58 PolarHBondContact O-N 2.86Å; W56-Q59 PolarHBondContact O-N 2.82Å; W56-Q59 VanDerWaalsContact O-N 3.13Å
57N98.6Very high98.1Very high48 Ų4882 Ų8226%0.25740%0.395SS..Hα-helixtrans-68.2-24.5175.2-70.6-22.5000112.9Y42 A53 Q59Y42-N57 WeakPolarHBondContact CB-OD1 3.36Å; Y42-N57 PolarHBondContact N-OD1 3.06Å; Y42-N57 PolarHBondContact O-ND2 2.88Å; A53-N57 WeakPolarHBondContact O-CB 3.43Å; A53-N57 PolarHBondContact O-N 3.36Å; A53-N57 PolarHBondContact O-ND2 2.9Å; A53-N57 VanDerWaalsContact O-ND2 3.13Å; N57-Q59 VanDerWaalsContact C-N 3.27Å
58S98.3Very high98.1Very high85 Ų8577.5 Ų77.559%0.59438%0.38SS*.Hα-helixtrans-73.8-18.7173.878.40000113.4E54 Y55 W56 K60E54-S58 WeakPolarHBondContact O-CB 3.48Å; E54-S58 PolarHBondContact O-N 2.96Å; Y55-S58 PolarHBondContact O-N 3.41Å; Y55-S58 PolarHBondContact O-OG 2.87Å; W56-S58 PolarHBondContact O-N 2.86Å; S58-K60 PolarHBondContact O-N 2.8Å
59Q98.4Very high98.2Very high53 Ų5374.6 Ų74.625%0.24837%0.365CS..  trans-95.494.3-179.9-69.3177.790.900110.2Y55 W56 N57 D61 I62 L63Y55-Q59 PolarHBondContact O-NE2 2.91Å; Y55-Q59 PolarHBondContact OH-NE2 2.95Å; W56-Q59 PolarHBondContact O-N 2.82Å; W56-Q59 VanDerWaalsContact O-N 3.13Å; N57-Q59 VanDerWaalsContact C-N 3.27Å; Q59-D61 VanDerWaalsContact C-N 3.28Å; Q59-D61 PolarHBondContact O-N 3.13Å; Q59-I62 HydrophobicContact CB-CB 4.1Å; Q59-I62 HydrophobicContact CB-CD1 3.88Å; Q59-I62 HydrophobicContact CB-CG1 4.01Å; Q59-I62 VanDerWaalsContact CD-CD1 3.46Å; Q59-I62 HydrophobicContact CG-CD1 4.3Å; Q59-I62 PolarHBondContact O-N 3.38Å; Q59-I62 VanDerWaalsContact OE1-CD1 3.29Å; Q59-L63 PolarHBondContact O-N 2.93Å; Q59-L63 VanDerWaalsContact O-N 3.08Å
60K97.4Very high98.2Very high151 Ų15175.4 Ų75.466%0.65737%0.37SS*.Hα-helixtrans-56.1-43.1-175.2-67.6-174.5177.5-178.50112.7S58 I62 L63 E64S58-K60 PolarHBondContact O-N 2.8Å; K60-I62 VanDerWaalsContact C-N 3.33Å; K60-I62 PolarHBondContact O-N 2.75Å; K60-L63 WeakPolarHBondContact O-CB 3.4Å; K60-L63 PolarHBondContact O-N 2.94Å; K60-L63 VanDerWaalsContact O-N 3.11Å; K60-E64 WeakPolarHBondContact O-CB 3.31Å; K60-E64 WeakPolarHBondContact O-CG 3.09Å; K60-E64 PolarHBondContact O-N 2.93Å
61D97.8Very high98.2Very high124 Ų12474 Ų7466%0.66337%0.372SS*.Hα-helixtrans-59.4-46.4-177.2-36.5-2.8000110.1Q59 L63 E64 D65Q59-D61 VanDerWaalsContact C-N 3.28Å; Q59-D61 PolarHBondContact O-N 3.13Å; D61-L63 PolarHBondContact O-N 3.21Å; D61-E64 PolarHBondContact O-N 3.39Å; D61-D65 WeakPolarHBondContact O-CB 3.37Å; D61-D65 PolarHBondContact O-N 3.2Å
62I96.3Very high98.1Very high50 Ų5074.3 Ų74.326%0.25637%0.372SS..Hα-helixtrans-64.4-42.4176.6-62.4-177.6000110.8Q59 K60 D65 R66Q59-I62 HydrophobicContact CB-CB 4.1Å; Q59-I62 HydrophobicContact CB-CD1 3.88Å; Q59-I62 HydrophobicContact CB-CG1 4.01Å; Q59-I62 VanDerWaalsContact CD-CD1 3.46Å; Q59-I62 HydrophobicContact CG-CD1 4.3Å; Q59-I62 PolarHBondContact O-N 3.38Å; Q59-I62 VanDerWaalsContact OE1-CD1 3.29Å; K60-I62 VanDerWaalsContact C-N 3.33Å; K60-I62 PolarHBondContact O-N 2.75Å; I62-D65 PolarHBondContact O-N 3.2Å; I62-R66 HydrophobicContact CG2-CG 4.38Å; I62-R66 WeakPolarHBondContact O-CB 3.25Å; I62-R66 VanDerWaalsContact O-CG 3.25Å; I62-R66 WeakPolarHBondContact O-CG 3.25Å; I62-R66 PolarHBondContact O-N 2.04Å
63L97.8Very high98.1Very high15 Ų1578 Ų788%0.07938%0.382CS..Hα-helixtrans-66.9-40-178.3-156.264.4000111.8F35 E41 Y42 Q59 K60 D61 R66 R67F35-L63 HydrophobicContact CD2-CD1 4.27Å; F35-L63 HydrophobicContact CE2-CD1 4.12Å; E41-L63 HydrophobicContact CB-CD1 4.32Å; Y42-L63 HydrophobicContact CD2-CD1 4.19Å; Q59-L63 PolarHBondContact O-N 2.93Å; Q59-L63 VanDerWaalsContact O-N 3.08Å; K60-L63 WeakPolarHBondContact O-CB 3.4Å; K60-L63 PolarHBondContact O-N 2.94Å; K60-L63 VanDerWaalsContact O-N 3.11Å; D61-L63 PolarHBondContact O-N 3.21Å; L63-R66 PolarHBondContact O-N 3.23Å; L63-R67 WeakPolarHBondContact O-CD 3.42Å; L63-R67 WeakPolarHBondContact O-CG 3.43Å; L63-R67 PolarHBondContact O-N 3.4Å
64E98.1Very high98Very high123 Ų12377.7 Ų77.758%0.57538%0.379SS*.Hα-helixtrans-65.2-45.6174.5-73.5179.6178.500111.3K60 D61 R66 R67 A68K60-E64 WeakPolarHBondContact O-CB 3.31Å; K60-E64 WeakPolarHBondContact O-CG 3.09Å; K60-E64 PolarHBondContact O-N 2.93Å; D61-E64 PolarHBondContact O-N 3.39Å; E64-R66 VanDerWaalsContact C-N 3.33Å; E64-R66 PolarHBondContact O-N 3Å; E64-R67 PolarHBondContact O-N 3.19Å; E64-A68 PolarHBondContact O-N 3.48Å
65D98Very high98Very high108 Ų10875.2 Ų75.258%0.57837%0.365SS*.Hα-helixtrans-57.9-45.2174.7-79.2-10.2000111.4D61 I62 R67 A68 L69D61-D65 WeakPolarHBondContact O-CB 3.37Å; D61-D65 PolarHBondContact O-N 3.2Å; I62-D65 PolarHBondContact O-N 3.2Å; D65-R67 PolarHBondContact O-N 2.61Å; D65-A68 WeakPolarHBondContact O-CB 3.34Å; D65-A68 PolarHBondContact O-N 2.93Å; D65-A68 VanDerWaalsContact O-N 3.16Å; D65-L69 WeakPolarHBondContact O-CG 3.35Å; D65-L69 PolarHBondContact O-N 3.35Å
66R98Very high97.9Very high69 Ų6974.1 Ų74.126%0.2636%0.364SS..Hα-helixtrans-64.6-39178.3-71.9-65.5-175.5-107.83.7113D23 F35 Y42 I62 L63 E64 A68 L69D23-R66 IonicContact OD2-CZ 2.72Å; D23-R66 IonicContact OD2-NE 2.86Å; D23-R66 PolarHBondContact OD2-NE 3.02Å; D23-R66 VanDerWaalsContact OD2-NE 3.1Å; D23-R66 IonicContact OD2-NH2 3.71Å; F35-R66 HydrophobicContact CD1-CB 4.15Å; F35-R66 HydrophobicContact CD2-CB 3.98Å; F35-R66 HydrophobicContact CE1-CB 3.96Å; F35-R66 WeakPolarHBondContact CE1-O 3.49Å; F35-R66 HydrophobicContact CE2-CB 3.77Å; F35-R66 HydrophobicContact CG-CB 4.17Å; F35-R66 HydrophobicContact CZ-CB 3.77Å; Y42-R66 HydrophobicContact CE2-CG 4.05Å; Y42-R66 WeakPolarHBondContact OH-CD 3.06Å; Y42-R66 WeakPolarHBondContact OH-CG 3.25Å; Y42-R66 PolarHBondContact OH-NE 2.87Å; I62-R66 HydrophobicContact CG2-CG 4.38Å; I62-R66 WeakPolarHBondContact O-CB 3.25Å; I62-R66 VanDerWaalsContact O-CG 3.25Å; I62-R66 WeakPolarHBondContact O-CG 3.25Å; I62-R66 PolarHBondContact O-N 2.04Å; L63-R66 PolarHBondContact O-N 3.23Å; E64-R66 VanDerWaalsContact C-N 3.33Å; E64-R66 PolarHBondContact O-N 3Å; R66-A68 VanDerWaalsContact C-N 3.28Å; R66-A68 PolarHBondContact O-N 2.93Å; R66-L69 WeakPolarHBondContact O-CB 3.35Å; R66-L69 PolarHBondContact O-N 3.11Å
67R98.4Very high97.7Very high117 Ų11775.1 Ų75.144%0.44237%0.373SS..Hα-helixtrans-63.1-36.9173.1-71.2163.4-178.5173.8-1.2111.5F35 G40 L63 E64 D65 L69F35-R67 HydrophobicContact CE2-CG 4.22Å; F35-R67 HydrophobicContact CZ-CG 3.87Å; G40-R67 VanDerWaalsContact O-CZ 3.27Å; G40-R67 PolarHBondContact O-NE 2.89Å; G40-R67 PolarHBondContact O-NH2 3.43Å; L63-R67 WeakPolarHBondContact O-CD 3.42Å; L63-R67 WeakPolarHBondContact O-CG 3.43Å; L63-R67 PolarHBondContact O-N 3.4Å; E64-R67 PolarHBondContact O-N 3.19Å; D65-R67 PolarHBondContact O-N 2.61Å; R67-L69 VanDerWaalsContact C-N 3.28Å; R67-L69 PolarHBondContact O-N 2.83Å
68A98.5Very high97.5Very high37 Ų3777 Ų7731%0.30638%0.377SS..Hα-helixtrans-72.4-15.5179.600000114E64 D65 R66 V70 D71 T72E64-A68 PolarHBondContact O-N 3.48Å; D65-A68 WeakPolarHBondContact O-CB 3.34Å; D65-A68 PolarHBondContact O-N 2.93Å; D65-A68 VanDerWaalsContact O-N 3.16Å; R66-A68 VanDerWaalsContact C-N 3.28Å; R66-A68 PolarHBondContact O-N 2.93Å; A68-V70 PolarHBondContact O-N 2.58Å; A68-D71 PolarHBondContact O-N 3.02Å; A68-D71 VanDerWaalsContact O-N 3.13Å; A68-T72 HydrophobicContact CB-CG2 4.28Å; A68-T72 WeakPolarHBondContact O-CB 3.46Å; A68-T72 WeakPolarHBondContact O-CG2 3.41Å; A68-T72 PolarHBondContact O-N 2.88Å; A68-T72 PolarHBondContact O-OG1 3.45Å
69L98.3Very high97.2Very high35 Ų3574.5 Ų74.518%0.18337%0.365CS..Hα-helixtrans-64.3-21.2-179-69.8-178.9000113.9F21 D65 R66 R67 D71 T72 Y73 C74F21-L69 HydrophobicContact CD1-CB 3.86Å; F21-L69 HydrophobicContact CD1-CD1 4.15Å; F21-L69 HydrophobicContact CD2-CB 4.46Å; F21-L69 HydrophobicContact CE1-CB 3.96Å; F21-L69 HydrophobicContact CE1-CD1 3.38Å; F21-L69 HydrophobicContact CE1-CG 4.3Å; F21-L69 HydrophobicContact CE2-CD1 4.31Å; F21-L69 HydrophobicContact CG-CB 4.13Å; F21-L69 HydrophobicContact CZ-CB 4.29Å; F21-L69 HydrophobicContact CZ-CD1 3.47Å; F21-L69 VanDerWaalsContact CZ-CD1 3.47Å; D65-L69 WeakPolarHBondContact O-CG 3.35Å; D65-L69 PolarHBondContact O-N 3.35Å; R66-L69 WeakPolarHBondContact O-CB 3.35Å; R66-L69 PolarHBondContact O-N 3.11Å; R67-L69 VanDerWaalsContact C-N 3.28Å; R67-L69 PolarHBondContact O-N 2.83Å; L69-D71 VanDerWaalsContact C-N 3.27Å; L69-D71 PolarHBondContact O-N 2.63Å; L69-T72 WeakPolarHBondContact CA-OG1 3.34Å; L69-Y73 WeakPolarHBondContact O-CB 3.4Å; L69-Y73 PolarHBondContact O-N 3.44Å; L69-Y73 VanDerWaalsContact O-N 3.11Å; L69-C74 PolarHBondContact O-N 3.02Å
70V98.4Very high96.8Very high16 Ų1674.6 Ų74.610%0.09737%0.369CS..Iπ-helixtrans-58-44172.9-172.30000110.6V19 F21 A68 C74 R75V19-V70 HydrophobicContact CB-CG1 3.72Å; V19-V70 HydrophobicContact CG1-CG1 3.86Å; V19-V70 WeakPolarHBondContact O-CG1 3.03Å; F21-V70 HydrophobicContact CB-CG2 4.04Å; A68-V70 PolarHBondContact O-N 2.58Å; V70-C74 WeakPolarHBondContact O-CB 3.4Å; V70-R75 VanDerWaalsContact CG1-NH1 3.35Å; V70-R75 PolarHBondContact O-N 2.82Å
71D98.2Very high96.4Very high93 Ų9369 Ų6950%0.49735%0.354SS..Iπ-helixtrans-88.2-53.8-179.9-73.9-58.6000112.1A68 L69 Y73 R75 H76A68-D71 PolarHBondContact O-N 3.02Å; A68-D71 VanDerWaalsContact O-N 3.13Å; L69-D71 VanDerWaalsContact C-N 3.27Å; L69-D71 PolarHBondContact O-N 2.63Å; D71-Y73 VanDerWaalsContact C-N 3.3Å; D71-Y73 PolarHBondContact O-N 3.29Å; D71-R75 VanDerWaalsContact CG-NH1 3.27Å; D71-R75 WeakPolarHBondContact OD1-CD 3.34Å; D71-R75 IonicContact OD1-CZ 3.73Å; D71-R75 IonicContact OD1-NE 3.02Å; D71-R75 IonicContact OD1-NH1 2.82Å; D71-R75 PolarHBondContact OD1-NH1 3.39Å; D71-R75 IonicContact OD2-NH1 3.2Å; D71-H76 PolarHBondContact O-N 2.64Å
72T97.8Very high95.7Very high88 Ų8867.6 Ų67.654%0.5434%0.344SS..Iπ-helixtrans-70.6-26.7-169.158.20000113.1A68 L69 H76A68-T72 HydrophobicContact CB-CG2 4.28Å; A68-T72 WeakPolarHBondContact O-CB 3.46Å; A68-T72 WeakPolarHBondContact O-CG2 3.41Å; A68-T72 PolarHBondContact O-N 2.88Å; A68-T72 PolarHBondContact O-OG1 3.45Å; L69-T72 WeakPolarHBondContact CA-OG1 3.34Å; T72-H76 VanDerWaalsContact O-CB 3.25Å; T72-H76 WeakPolarHBondContact O-CB 3.42Å
73Y97.2Very high94.9Very high110 Ų11069.4 Ų69.443%0.43136%0.361SS..Iπ-helixtrans-113.3-60179.5-177.9-99.9000111.7F21 L69 D71 N77F21-Y73 HydrophobicContact CE2-CD1 4.47Å; L69-Y73 WeakPolarHBondContact O-CB 3.4Å; L69-Y73 PolarHBondContact O-N 3.44Å; L69-Y73 VanDerWaalsContact O-N 3.11Å; D71-Y73 VanDerWaalsContact C-N 3.3Å; D71-Y73 PolarHBondContact O-N 3.29Å; Y73-N77 WeakPolarHBondContact CD2-ND2 3.44Å; Y73-N77 WeakPolarHBondContact CE2-ND2 3.36Å; Y73-N77 VanDerWaalsContact O-CB 3.25Å; Y73-N77 WeakPolarHBondContact O-CB 3.5Å; Y73-N77 VanDerWaalsContact O-CG 3.25Å; Y73-N77 PolarHBondContact O-N 2.77Å; Y73-N77 PolarHBondContact O-ND2 3.04Å
74C98Very high93.6Very high1 Ų176.8 Ų76.81%0.00739%0.392CS..Iπ-helixtrans-66.4-57.6-172.3-62.30000112.5C10 F12 V19 L69 V70 H76 N77 Y78C10-C74 HydrophobicContact CB-CB 3.66Å; C10-C74 WeakPolarHBondContact CB-SG 3.46Å; C10-C74 WeakPolarHBondContact SG-CA 3.38Å; C10-C74 WeakPolarHBondContact SG-CB 3.43Å; C10-C74 CovalentContact SG-SG 2.04Å; C10-C74 PolarHBondContact SG-SG 3.44Å; F12-C74 HydrophobicContact CE1-CB 4.15Å; F12-C74 HydrophobicContact CZ-CB 3.95Å; F12-C74 WeakPolarHBondContact CZ-O 3.38Å; V19-C74 HydrophobicContact CG1-CB 3.54Å; L69-C74 PolarHBondContact O-N 3.02Å; V70-C74 WeakPolarHBondContact O-CB 3.4Å; C74-H76 VanDerWaalsContact C-N 3.35Å; C74-H76 PolarHBondContact O-N 2.66Å; C74-N77 PolarHBondContact O-N 3.39Å; C74-Y78 WeakPolarHBondContact O-CB 3.4Å; C74-Y78 PolarHBondContact O-N 2.96Å
75R97.3Very high92.3Very high73 Ų7375.2 Ų75.228%0.27539%0.391SS..Iπ-helixtrans-64.3-40.2179.2-71.8-171.2-176.193.62.9112.2T16 V19 V70 D71 Y78 G79T16-R75 HydrophobicContact CG2-CG 4.43Å; T16-R75 PolarHBondContact O-NE 2.87Å; V19-R75 HydrophobicContact CB-CG 4.48Å; V19-R75 HydrophobicContact CG2-CG 3.84Å; V70-R75 VanDerWaalsContact CG1-NH1 3.35Å; V70-R75 PolarHBondContact O-N 2.82Å; D71-R75 VanDerWaalsContact CG-NH1 3.27Å; D71-R75 WeakPolarHBondContact OD1-CD 3.34Å; D71-R75 IonicContact OD1-CZ 3.73Å; D71-R75 IonicContact OD1-NE 3.02Å; D71-R75 IonicContact OD1-NH1 2.82Å; D71-R75 PolarHBondContact OD1-NH1 3.39Å; D71-R75 IonicContact OD2-NH1 3.2Å; R75-Y78 PolarHBondContact O-N 2.82Å; R75-G79 PolarHBondContact O-N 2.92Å
76H95.8Very high90.6Very high114 Ų11476.2 Ų76.253%0.52840%0.401SS..Hα-helixtrans-55.2-55.7175.3179.571.7000111.6D71 T72 C74 Y78 G79 V80D71-H76 PolarHBondContact O-N 2.64Å; T72-H76 VanDerWaalsContact O-CB 3.25Å; T72-H76 WeakPolarHBondContact O-CB 3.42Å; C74-H76 VanDerWaalsContact C-N 3.35Å; C74-H76 PolarHBondContact O-N 2.66Å; H76-Y78 VanDerWaalsContact C-N 3.32Å; H76-Y78 PolarHBondContact O-N 3.48Å; H76-G79 PolarHBondContact O-N 3.22Å; H76-V80 WeakPolarHBondContact O-CG2 3.08Å; H76-V80 PolarHBondContact O-N 3.02Å
77N95.1Very high88.8Confident67 Ų6778.8 Ų78.836%0.35842%0.416SS..Hα-helixtrans-67.4-33-177.9-71.5-27000112.8Y73 C74 V80 G81Y73-N77 WeakPolarHBondContact CD2-ND2 3.44Å; Y73-N77 WeakPolarHBondContact CE2-ND2 3.36Å; Y73-N77 VanDerWaalsContact O-CB 3.25Å; Y73-N77 WeakPolarHBondContact O-CB 3.5Å; Y73-N77 VanDerWaalsContact O-CG 3.25Å; Y73-N77 PolarHBondContact O-N 2.77Å; Y73-N77 PolarHBondContact O-ND2 3.04Å; C74-N77 PolarHBondContact O-N 3.39Å; N77-V80 PolarHBondContact O-N 3.34Å; N77-G81 PolarHBondContact O-N 3.46Å
78Y93.7Very high86.6Confident87 Ų8784.8 Ų84.834%0.34144%0.439SS..Hα-helixtrans-59.7-49.1172.7-170.7-82.4000111.2F12 T16 C74 R75 H76 V80 G81 E82F12-Y78 HydrophobicContact CB-CD2 4.47Å; F12-Y78 HydrophobicContact CB-CE2 4.27Å; F12-Y78 AromaticContact CD1-CD2 3.54Å; F12-Y78 HydrophobicContact CD1-CD2 3.54Å; F12-Y78 HydrophobicContact CD1-CE2 4.12Å; F12-Y78 HydrophobicContact CD1-CG 4.09Å; F12-Y78 AromaticContact CD2-CD2 3.93Å; F12-Y78 HydrophobicContact CD2-CD2 3.93Å; F12-Y78 HydrophobicContact CD2-CE2 4.36Å; F12-Y78 AromaticContact CE1-CD2 3.62Å; F12-Y78 HydrophobicContact CE1-CD2 3.62Å; F12-Y78 AromaticContact CE1-CG 3.88Å; F12-Y78 HydrophobicContact CE1-CG 3.88Å; F12-Y78 AromaticContact CE2-CD2 3.98Å; F12-Y78 HydrophobicContact CE2-CD2 3.98Å; F12-Y78 AromaticContact CG-CD2 3.71Å; F12-Y78 HydrophobicContact CG-CD2 3.71Å; F12-Y78 AromaticContact CG-CE2 4Å; F12-Y78 HydrophobicContact CG-CE2 4Å; F12-Y78 AromaticContact CZ-CD2 3.84Å; F12-Y78 HydrophobicContact CZ-CD2 3.84Å; F12-Y78 HydrophobicContact CZ-CG 4.28Å; T16-Y78 HydrophobicContact CG2-CD1 3.39Å; T16-Y78 HydrophobicContact CG2-CD2 4.43Å; T16-Y78 HydrophobicContact CG2-CE1 3.85Å; T16-Y78 HydrophobicContact CG2-CG 3.72Å; C74-Y78 WeakPolarHBondContact O-CB 3.4Å; C74-Y78 PolarHBondContact O-N 2.96Å; R75-Y78 PolarHBondContact O-N 2.82Å; H76-Y78 VanDerWaalsContact C-N 3.32Å; H76-Y78 PolarHBondContact O-N 3.48Å; Y78-V80 VanDerWaalsContact C-N 3.35Å; Y78-V80 PolarHBondContact O-N 2.85Å; Y78-G81 PolarHBondContact O-N 3.29Å; Y78-E82 WeakPolarHBondContact O-CB 3.46Å; Y78-E82 PolarHBondContact O-N 3.46Å
79G92.4Very high84.2Confident34 Ų3496.8 Ų96.835%0.35148%0.476SS..Hα-helixtrans-64-38.4178.500000112.9R75 H76 S83R75-G79 PolarHBondContact O-N 2.92Å; H76-G79 PolarHBondContact O-N 3.22Å; G79-S83 WeakPolarHBondContact O-CB 3.4Å; G79-S83 PolarHBondContact O-N 3.12Å; G79-S83 PolarHBondContact O-OG 3.1Å
80V91.1Very high83.5Confident55 Ų5599.9 Ų99.933%0.33349%0.491SS..Hα-helixtrans-59-52.4171.8173.70000109.9H76 N77 Y78 E82 S83 F84H76-V80 WeakPolarHBondContact O-CG2 3.08Å; H76-V80 PolarHBondContact O-N 3.02Å; N77-V80 PolarHBondContact O-N 3.34Å; Y78-V80 VanDerWaalsContact C-N 3.35Å; Y78-V80 PolarHBondContact O-N 2.85Å; V80-E82 PolarHBondContact O-N 3.47Å; V80-S83 PolarHBondContact O-N 2.89Å; V80-S83 PolarHBondContact O-OG 3.49Å; V80-F84 HydrophobicContact CG1-CD2 3.84Å; V80-F84 HydrophobicContact CG1-CE2 3.69Å; V80-F84 WeakPolarHBondContact O-CD2 3.49Å; V80-F84 PolarHBondContact O-N 3.23Å
81G87.6Confident82.7Confident32 Ų32104.3 Ų104.333%0.3351%0.511SS..Hα-helixtrans-58.5-47.3178.700000113.2N77 Y78 S83 F84 T85N77-G81 PolarHBondContact O-N 3.46Å; Y78-G81 PolarHBondContact O-N 3.29Å; G81-S83 VanDerWaalsContact C-N 3.28Å; G81-S83 PolarHBondContact O-N 3.33Å; G81-F84 PolarHBondContact O-N 3.37Å; G81-F84 VanDerWaalsContact O-N 3.1Å; G81-T85 WeakPolarHBondContact O-CG2 3.41Å; G81-T85 PolarHBondContact O-N 3.49Å; G81-T85 PolarHBondContact O-OG1 2.93Å; G81-T85 VanDerWaalsContact O-OG1 3.12Å
82E84.2Confident81.9Confident96 Ų96104.9 Ų104.945%0.44951%0.512SS..Hα-helixtrans-58.2-40.6177.7-165.9-164.8163.500111.6Y78 V80 F84 T85Y78-E82 WeakPolarHBondContact O-CB 3.46Å; Y78-E82 PolarHBondContact O-N 3.46Å; V80-E82 PolarHBondContact O-N 3.47Å; E82-F84 VanDerWaalsContact C-N 3.26Å; E82-F84 PolarHBondContact O-N 3.43Å; E82-T85 PolarHBondContact O-OG1 2.97Å
83S78.6Confident80.9Confident88 Ų88105.9 Ų105.962%0.61551%0.511SS*.Hα-helixtrans-66.1-26.3178.975.50000113.8G79 V80 G81G79-S83 WeakPolarHBondContact O-CB 3.4Å; G79-S83 PolarHBondContact O-N 3.12Å; G79-S83 PolarHBondContact O-OG 3.1Å; V80-S83 PolarHBondContact O-N 2.89Å; V80-S83 PolarHBondContact O-OG 3.49Å; G81-S83 VanDerWaalsContact C-N 3.28Å; G81-S83 PolarHBondContact O-N 3.33Å
84F70.5Confident79.9Confident169 Ų169105.7 Ų105.774%0.74152%0.516SS*.Hα-helixtrans-96.7-31.6-178.2-75.8-64.8000113.7V80 G81 E82V80-F84 HydrophobicContact CG1-CD2 3.84Å; V80-F84 HydrophobicContact CG1-CE2 3.69Å; V80-F84 WeakPolarHBondContact O-CD2 3.49Å; V80-F84 PolarHBondContact O-N 3.23Å; G81-F84 PolarHBondContact O-N 3.37Å; G81-F84 VanDerWaalsContact O-N 3.1Å; E82-F84 VanDerWaalsContact C-N 3.26Å; E82-F84 PolarHBondContact O-N 3.43Å
85T72.3Confident78.7Confident91 Ų91112.7 Ų112.756%0.55855%0.55SS*.SBendtrans-75.7128.517356.90000108.8G81 E82 Q87G81-T85 WeakPolarHBondContact O-CG2 3.41Å; G81-T85 PolarHBondContact O-N 3.49Å; G81-T85 PolarHBondContact O-OG1 2.93Å; G81-T85 VanDerWaalsContact O-OG1 3.12Å; E82-T85 PolarHBondContact O-OG1 2.97Å; T85-Q87 PolarHBondContact O-N 3.38Å
86V60.6Low77.4Confident128 Ų128115.5 Ų115.578%0.77657%0.569SS**  trans-47.3118.7175.1177.30000107.5R88V86-R88 PolarHBondContact O-N 2.69Å
87Q60.4Low76Confident124 Ų124115.6 Ų115.658%0.57957%0.572SS**  trans-53.797.1167.2-76.3-164.2-19.900105.8T85 R89T85-Q87 PolarHBondContact O-N 3.38Å; Q87-R89 PolarHBondContact O-N 2.74Å
88R52Low74.4Confident242 Ų242119.7 Ų119.791%0.91359%0.59SS**  trans-67.884.1170.3-77.6-175.8174178.4-1104.5V86V86-R88 PolarHBondContact O-N 2.69Å
89R49.4Very low72.6Confident290 Ų290122.6 Ų122.6100%1.09461%0.613SS**  trans-60.60161.9-74.8-174.3175.8-169.1-1.4108.9Q87Q87-R89 PolarHBondContact O-N 2.74Å

Retrieved 89 of 89 residues in 19.8 ms (Link to these results)

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