A0A023NF12_HUMAN Loading...

MHC class II antigen

AlphaFold DB , UniProt , Accession A0A023NF12, 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
1R84.8Confident96.1Very high285 Ų28587.2 Ų87.2100%1.07542%0.416SS*.  0129.20176.7178.6177.7-178.10.1107
2F92.6Very high96.1Very high124 Ų12485.8 Ų85.854%0.54441%0.407SS..  trans-83.9140.7174.7166.9-120.3000110.1E4 Y27 N28F2-E4 HydrophobicContact CE1-CB 4.24Å; F2-E4 HydrophobicContact CE2-CB 4.1Å; F2-E4 HydrophobicContact CZ-CB 3.61Å; F2-E4 HydrophobicContact CZ-CG 4.45Å; F2-Y27 HydrophobicContact CD2-CD2 4.17Å; F2-Y27 AromaticContact CD2-CE2 3.51Å; F2-Y27 HydrophobicContact CD2-CE2 3.51Å; F2-Y27 AromaticContact CD2-CZ 3.72Å; F2-Y27 AromaticContact CE2-CD2 3.36Å; F2-Y27 HydrophobicContact CE2-CD2 3.36Å; F2-Y27 AromaticContact CE2-CE2 2.97Å; F2-Y27 HydrophobicContact CE2-CE2 2.97Å; F2-Y27 HydrophobicContact CE2-CG 4.32Å; F2-Y27 AromaticContact CE2-CZ 3.7Å; F2-Y27 HydrophobicContact CZ-CD2 4.2Å; F2-Y27 AromaticContact CZ-CE2 3.85Å; F2-Y27 HydrophobicContact CZ-CE2 3.85Å; F2-N28 WeakPolarHBondContact CA-OD1 3.48Å
3L96.8Very high96Very high75 Ų7586.8 Ų86.839%0.39341%0.41SS..  trans-137.7124.2174.2179.469.1000109.4Y5 N28 Q29L3-Y5 HydrophobicContact CD2-CD1 3.95Å; L3-Y5 HydrophobicContact CD2-CE1 3.99Å; L3-Y5 HydrophobicContact CG-CD1 3.97Å; L3-Y5 HydrophobicContact CG-CE1 4.45Å; L3-N28 PolarHBondContact N-OD1 2.93Å; L3-N28 PolarHBondContact O-N 2.94Å; L3-Q29 HydrophobicContact CD2-CG 4.46Å
4E96.8Very high95.7Very high77 Ų7790.5 Ų90.536%0.3643%0.433SS..EExtended strand (participates in β ladder)trans-119133.5170.1-172.773.8-157.100107.9F2 F26 Y27 Y32F2-E4 HydrophobicContact CE1-CB 4.24Å; F2-E4 HydrophobicContact CE2-CB 4.1Å; F2-E4 HydrophobicContact CZ-CB 3.61Å; F2-E4 HydrophobicContact CZ-CG 4.45Å; E4-F26 WeakPolarHBondContact CA-O 3.42Å; E4-Y27 VanDerWaalsContact OE2-CD2 3.31Å; E4-Y27 WeakPolarHBondContact OE2-CD2 3.41Å; E4-Y32 WeakPolarHBondContact OE1-CE1 3.31Å; E4-Y32 VanDerWaalsContact OE1-CZ 3.28Å; E4-Y32 PolarHBondContact OE1-OH 2.95Å
5Y97.8Very high95.3Very high84 Ų8486.6 Ų86.633%0.32943%0.426SS..EExtended strand (participates in β ladder)trans-154.5163.3170.867.1-82.4000111.2L3 T7 F26L3-Y5 HydrophobicContact CD2-CD1 3.95Å; L3-Y5 HydrophobicContact CD2-CE1 3.99Å; L3-Y5 HydrophobicContact CG-CD1 3.97Å; L3-Y5 HydrophobicContact CG-CE1 4.45Å; Y5-T7 HydrophobicContact CD2-CG2 4.35Å; Y5-T7 HydrophobicContact CE2-CG2 4.27Å; Y5-F26 HydrophobicContact CD1-CB 3.89Å; Y5-F26 HydrophobicContact CD2-CB 4.23Å; Y5-F26 AromaticContact CD2-CD2 3.76Å; Y5-F26 HydrophobicContact CD2-CD2 3.76Å; Y5-F26 HydrophobicContact CD2-CE2 4.45Å; Y5-F26 HydrophobicContact CD2-CG 4.21Å; Y5-F26 HydrophobicContact CE1-CB 3.52Å; Y5-F26 HydrophobicContact CE1-CG 4.07Å; Y5-F26 HydrophobicContact CE2-CB 3.87Å; Y5-F26 HydrophobicContact CE2-CD1 4.24Å; Y5-F26 AromaticContact CE2-CD2 3.34Å; Y5-F26 HydrophobicContact CE2-CD2 3.34Å; Y5-F26 AromaticContact CE2-CE2 3.86Å; Y5-F26 HydrophobicContact CE2-CE2 3.86Å; Y5-F26 AromaticContact CE2-CG 3.57Å; Y5-F26 HydrophobicContact CE2-CG 3.57Å; Y5-F26 HydrophobicContact CE2-CZ 4.47Å; Y5-F26 HydrophobicContact CG-CB 4.24Å; Y5-F26 VanDerWaalsContact CZ-CB 3.5Å; Y5-F26 AromaticContact CZ-CD1 3.93Å; Y5-F26 AromaticContact CZ-CD2 3.81Å; Y5-F26 AromaticContact CZ-CG 3.49Å; Y5-F26 VanDerWaalsContact CZ-CG 3.49Å; Y5-F26 PolarHBondContact N-O 2.62Å; Y5-F26 VanDerWaalsContact N-O 3.12Å; Y5-F26 PolarHBondContact O-N 3.12Å
6S97.9Very high95.3Very high66 Ų6684.7 Ų84.746%0.46242%0.421SS..EExtended strand (participates in β ladder)trans-125.115817263.30000111.3R24S6-R24 CarbonylContact C-O 3.57Å; S6-R24 WeakPolarHBondContact CA-O 3.16Å; S6-R24 VanDerWaalsContact CB-O 3.26Å; S6-R24 WeakPolarHBondContact CB-O 3.43Å
7T98.4Very high95.2Very high39 Ų3988.5 Ų88.524%0.23944%0.438CS..EExtended strand (participates in β ladder)trans-123.9138.8168.163.80000109.7Y5 E9 D23 R24 F26Y5-T7 HydrophobicContact CD2-CG2 4.35Å; Y5-T7 HydrophobicContact CE2-CG2 4.27Å; T7-E9 PolarHBondContact OG1-OE1 3Å; T7-D23 CarbonylContact O-C 3.59Å; T7-D23 WeakPolarHBondContact O-CA 3.26Å; T7-R24 PolarHBondContact N-O 3.28Å; T7-R24 PolarHBondContact O-N 2.79Å; T7-F26 HydrophobicContact CG2-CE2 3.96Å
8S98.1Very high95.3Very high58 Ų5891.7 Ų91.741%0.40644%0.444SS..EExtended strand (participates in β ladder)trans-119.7100.6172.2-52.30000107.6L22 D23S8-L22 CarbonylContact C-O 3.55Å; S8-L22 WeakPolarHBondContact CA-O 3.26Å; S8-D23 PolarHBondContact OG-OD1 3.02Å
9E98.3Very high95.4Very high51 Ų5187.3 Ų87.324%0.23842%0.423CS..EExtended strand (participates in β ladder)trans-107.9139-168.9-52.7171.2-146.600110.6T7 H11 F21 L22 R24T7-E9 PolarHBondContact OG1-OE1 3Å; E9-H11 IonicContact OE2-CE1 3.55Å; E9-H11 IonicContact OE2-NE2 3.34Å; E9-H11 PolarHBondContact OE2-NE2 2.66Å; E9-F21 WeakPolarHBondContact O-CA 3.26Å; E9-F21 WeakPolarHBondContact O-CD2 3.07Å; E9-L22 HydrophobicContact CB-CB 4.25Å; E9-L22 PolarHBondContact N-O 3.22Å; E9-L22 PolarHBondContact O-N 3.35Å; E9-R24 WeakPolarHBondContact OE1-CD 3.35Å; E9-R24 IonicContact OE1-NH1 2.89Å; E9-R24 PolarHBondContact OE1-NH1 3.05Å; E9-R24 VanDerWaalsContact OE1-NH1 3.08Å
10C98.1Very high95.6Very high34 Ų3486.2 Ų86.223%0.2341%0.414CS..EExtended strand (participates in β ladder)trans-118.7116.7173.1-63.50000109.1F12 R20 Y73 C74C10-F12 HydrophobicContact CB-CD2 4.29Å; C10-F12 HydrophobicContact CB-CE2 3.41Å; C10-F12 VanDerWaalsContact CB-CE2 3.41Å; C10-F12 HydrophobicContact CB-CZ 3.57Å; C10-F12 WeakPolarHBondContact O-CD2 3.38Å; C10-R20 WeakPolarHBondContact CA-O 3.35Å; C10-Y73 VanDerWaalsContact SG-CD1 3.59Å; C10-C74 HydrophobicContact CB-CB 3.63Å; C10-C74 WeakPolarHBondContact CB-SG 3.43Å; C10-C74 WeakPolarHBondContact SG-CA 3.41Å; C10-C74 WeakPolarHBondContact SG-CB 3.4Å; C10-C74 CovalentContact SG-SG 2.03Å; C10-C74 PolarHBondContact SG-SG 3.47Å
11H97.4Very high95.7Very high66 Ų6682.4 Ų82.431%0.30640%0.396SS..EExtended strand (participates in β ladder)trans-104.6115.6-179.8-69-139.4000108.5E9 F13 V19 R20E9-H11 IonicContact OE2-CE1 3.55Å; E9-H11 IonicContact OE2-NE2 3.34Å; E9-H11 PolarHBondContact OE2-NE2 2.66Å; H11-F13 HydrophobicContact CB-CE2 4.04Å; H11-F13 HydrophobicContact CB-CZ 4.33Å; H11-V19 WeakPolarHBondContact O-CA 3.44Å; H11-R20 HydrophobicContact CB-CB 4.32Å; H11-R20 PolarHBondContact N-O 3Å; H11-R20 PolarHBondContact O-N 3.28Å
12F95.8Very high96.4Very high70 Ų7069.4 Ų69.431%0.30735%0.348SS..EExtended strand (participates in β ladder)trans-105.4129.8-173.3-63.3-84.1000110.6C10 G15 T16 V19 C74 Y78C10-F12 HydrophobicContact CB-CD2 4.29Å; C10-F12 HydrophobicContact CB-CE2 3.41Å; C10-F12 VanDerWaalsContact CB-CE2 3.41Å; C10-F12 HydrophobicContact CB-CZ 3.57Å; C10-F12 WeakPolarHBondContact O-CD2 3.38Å; F12-G15 WeakPolarHBondContact CB-O 3.34Å; F12-T16 HydrophobicContact CD1-CG2 4.27Å; F12-T16 HydrophobicContact CE1-CG2 4.44Å; F12-V19 HydrophobicContact CD1-CG1 4.09Å; F12-V19 HydrophobicContact CD1-CG2 3.77Å; F12-V19 HydrophobicContact CE1-CG1 3.88Å; F12-V19 HydrophobicContact CE1-CG2 4.06Å; F12-C74 HydrophobicContact CE1-CB 4.21Å; F12-C74 HydrophobicContact CZ-CB 4.01Å; F12-C74 WeakPolarHBondContact CZ-O 3.01Å; F12-Y78 HydrophobicContact CB-CE2 4.36Å; F12-Y78 AromaticContact CD1-CD2 3.59Å; F12-Y78 HydrophobicContact CD1-CD2 3.59Å; F12-Y78 HydrophobicContact CD1-CE2 4.11Å; F12-Y78 HydrophobicContact CD1-CG 4.13Å; F12-Y78 AromaticContact CD2-CD2 3.94Å; F12-Y78 HydrophobicContact CD2-CD2 3.94Å; F12-Y78 HydrophobicContact CD2-CE2 4.33Å; F12-Y78 AromaticContact CE1-CD2 3.59Å; F12-Y78 HydrophobicContact CE1-CD2 3.59Å; F12-Y78 AromaticContact CE1-CG 3.84Å; F12-Y78 HydrophobicContact CE1-CG 3.84Å; F12-Y78 AromaticContact CE2-CD2 3.91Å; F12-Y78 HydrophobicContact CE2-CD2 3.91Å; F12-Y78 AromaticContact CG-CD2 3.78Å; F12-Y78 HydrophobicContact CG-CD2 3.78Å; F12-Y78 HydrophobicContact CG-CE2 4.01Å; F12-Y78 AromaticContact CZ-CD2 3.75Å; F12-Y78 HydrophobicContact CZ-CD2 3.75Å; F12-Y78 HydrophobicContact CZ-CG 4.19Å
13F94.9Very high96.7Very high100 Ų10063.9 Ų63.944%0.43932%0.324SS..EExtended strand (participates in β ladder)trans-123.9129.6177.2-55.6-88.6000109.6H11 G15 R18H11-F13 HydrophobicContact CB-CE2 4.04Å; H11-F13 HydrophobicContact CB-CZ 4.33Å; F13-G15 PolarHBondContact O-N 2.9Å; F13-R18 HydrophobicContact CB-CB 4.25Å; F13-R18 HydrophobicContact CD2-CB 4.5Å; F13-R18 HydrophobicContact CD2-CG 4.27Å; F13-R18 PolarHBondContact N-O 3.41Å; F13-R18 PolarHBondContact O-N 3.23Å
14N92.3Very high96.8Very high138 Ų13863.1 Ų63.174%0.73832%0.316SS*.THydrogen-bonded Turntrans49.855.5-175.1-61.7-19.4000112.1T16 E17N14-T16 PolarHBondContact O-N 3.41Å; N14-E17 HydrophobicContact CB-CB 4.34Å; N14-E17 WeakPolarHBondContact CB-OE2 3.47Å
15G89.4Confident96.9Very high32 Ų3261.6 Ų61.633%0.3331%0.307SS..THydrogen-bonded Turntrans71.4-123.8-170.100000110.4F12 F13F12-G15 WeakPolarHBondContact CB-O 3.34Å; F13-G15 PolarHBondContact O-N 2.9Å
16T94.7Very high96.9Very high56 Ų5658.2 Ų58.234%0.34429%0.294SS..THydrogen-bonded Turntrans-107.112.8-17959.70000113.9F12 N14 R75 Y78F12-T16 HydrophobicContact CD1-CG2 4.27Å; F12-T16 HydrophobicContact CE1-CG2 4.44Å; N14-T16 PolarHBondContact O-N 3.41Å; T16-R75 HydrophobicContact CG2-CG 4.48Å; T16-R75 PolarHBondContact O-NE 2.95Å; T16-Y78 HydrophobicContact CG2-CD1 3.36Å; T16-Y78 HydrophobicContact CG2-CD2 4.43Å; T16-Y78 HydrophobicContact CG2-CE1 3.77Å; T16-Y78 HydrophobicContact CG2-CG 3.72Å
17E94.2Very high96.9Very high150 Ų15059.7 Ų59.770%0.70129%0.29SS*.THydrogen-bonded Turntrans-59.3-51179.5-173.9-176.3-178.300110.5N14N14-E17 HydrophobicContact CB-CB 4.34Å; N14-E17 WeakPolarHBondContact CB-OE2 3.47Å
18R97.1Very high96.8Very high145 Ų14561 Ų6155%0.54730%0.296SS..EExtended strand (participates in β ladder)trans-121.1127.3169.5-178179.7178.5-176.4-1.2109.8F13 D38F13-R18 HydrophobicContact CB-CB 4.25Å; F13-R18 HydrophobicContact CD2-CB 4.5Å; F13-R18 HydrophobicContact CD2-CG 4.27Å; F13-R18 PolarHBondContact N-O 3.41Å; F13-R18 PolarHBondContact O-N 3.23Å; R18-D38 IonicContact CZ-OD2 3.99Å; R18-D38 IonicContact NH2-OD2 2.89Å; R18-D38 PolarHBondContact NH2-OD2 3.12Å
19V98.2Very high96.7Very high8 Ų865.5 Ų65.55%0.04831%0.31CS..EExtended strand (participates in β ladder)trans-129.4131.6-179.9-176.90000108.2H11 F12 V70 C74 R75H11-V19 WeakPolarHBondContact O-CA 3.44Å; F12-V19 HydrophobicContact CD1-CG1 4.09Å; F12-V19 HydrophobicContact CD1-CG2 3.77Å; F12-V19 HydrophobicContact CE1-CG1 3.88Å; F12-V19 HydrophobicContact CE1-CG2 4.06Å; V19-V70 HydrophobicContact CB-CG1 3.72Å; V19-V70 HydrophobicContact CG1-CG1 3.86Å; V19-V70 WeakPolarHBondContact O-CG1 3.49Å; V19-C74 HydrophobicContact CG1-CB 3.52Å; V19-R75 HydrophobicContact CG2-CG 3.93Å
20R98.4Very high96.7Very high66 Ų6668.8 Ų68.825%0.24933%0.326CS..EExtended strand (participates in β ladder)trans-117.9129.5174.2-179.9-178.5178.6-1614.6109.7C10 H11 D36 S37C10-R20 WeakPolarHBondContact CA-O 3.35Å; H11-R20 HydrophobicContact CB-CB 4.32Å; H11-R20 PolarHBondContact N-O 3Å; H11-R20 PolarHBondContact O-N 3.28Å; R20-D36 IonicContact CZ-OD1 3.68Å; R20-D36 IonicContact CZ-OD2 3.43Å; R20-D36 IonicContact NE-OD1 2.88Å; R20-D36 PolarHBondContact NE-OD1 3.22Å; R20-D36 IonicContact NE-OD2 3.45Å; R20-D36 PolarHBondContact NE-OD2 2.99Å; R20-D36 IonicContact NH2-OD1 3.65Å; R20-D36 IonicContact NH2-OD2 2.64Å; R20-D36 PolarHBondContact NH2-OD2 2.89Å; R20-S37 WeakPolarHBondContact CA-OG 3.42Å
21F98.8Very high96.7Very high6 Ų668.1 Ų68.13%0.02632%0.319CS..EExtended strand (participates in β ladder)trans-103.6130.3174.9176.2-112.2000109.9E9 D23 F35 S37 A69 V70 Y73E9-F21 WeakPolarHBondContact O-CA 3.26Å; E9-F21 WeakPolarHBondContact O-CD2 3.07Å; F21-D23 HydrophobicContact CE1-CB 3.84Å; F21-D23 HydrophobicContact CZ-CB 3.85Å; F21-F35 AromaticContact CD1-CD1 3.91Å; F21-F35 HydrophobicContact CD1-CD1 3.91Å; F21-F35 HydrophobicContact CD1-CE1 4.01Å; F21-F35 HydrophobicContact CE1-CD1 4.16Å; F21-S37 PolarHBondContact N-OG 3.36Å; F21-S37 PolarHBondContact O-N 2.91Å; F21-S37 PolarHBondContact O-OG 3.29Å; F21-A69 HydrophobicContact CD1-CB 3.63Å; F21-A69 HydrophobicContact CD2-CB 4.35Å; F21-A69 HydrophobicContact CE1-CB 3.62Å; F21-A69 HydrophobicContact CE2-CB 4.34Å; F21-A69 HydrophobicContact CG-CB 4.01Å; F21-A69 HydrophobicContact CZ-CB 3.99Å; F21-V70 HydrophobicContact CB-CG2 4.02Å; F21-Y73 HydrophobicContact CD2-CD1 4.4Å; F21-Y73 HydrophobicContact CE2-CD1 4.07Å; F21-Y73 HydrophobicContact CE2-CE1 4.39Å
22L98.8Very high96.7Very high12 Ų1266.2 Ų66.26%0.06331%0.309CS..EExtended strand (participates in β ladder)trans-121.3128.5172.9-65.6172.9000109.2S8 E9 R24 F35 D36S8-L22 CarbonylContact C-O 3.55Å; S8-L22 WeakPolarHBondContact CA-O 3.26Å; E9-L22 HydrophobicContact CB-CB 4.25Å; E9-L22 PolarHBondContact N-O 3.22Å; E9-L22 PolarHBondContact O-N 3.35Å; L22-R24 HydrophobicContact CB-CG 4.24Å; L22-F35 WeakPolarHBondContact CA-O 3.23Å; L22-D36 HydrophobicContact CD2-CB 3.78Å
23D98.6Very high96.9Very high8 Ų862.9 Ų62.94%0.04330%0.295CS..EExtended strand (participates in β ladder)trans-118.9110.5170.4-164.835.7000108.5T7 S8 F21 Y25 R34 F35T7-D23 CarbonylContact O-C 3.59Å; T7-D23 WeakPolarHBondContact O-CA 3.26Å; S8-D23 PolarHBondContact OG-OD1 3.02Å; F21-D23 HydrophobicContact CE1-CB 3.84Å; F21-D23 HydrophobicContact CZ-CB 3.85Å; D23-Y25 HydrophobicContact CB-CE2 4.47Å; D23-Y25 WeakPolarHBondContact OD2-CE2 3.42Å; D23-Y25 PolarHBondContact OD2-OH 3.15Å; D23-R34 CarbonylContact O-C 3.44Å; D23-R34 VanDerWaalsContact O-CA 3.23Å; D23-R34 WeakPolarHBondContact O-CA 3.28Å; D23-F35 HydrophobicContact CB-CB 4.13Å; D23-F35 PolarHBondContact N-O 3.44Å; D23-F35 PolarHBondContact O-N 3.41Å
24R98.8Very high97.1Very high60 Ų6061.8 Ų61.823%0.22629%0.288CS..EExtended strand (participates in β ladder)trans-123.4140.2-166.2-56.9170.370.4-158.7-0.5110.1S6 T7 E9 L22 F26 E31 R34S6-R24 CarbonylContact C-O 3.57Å; S6-R24 WeakPolarHBondContact CA-O 3.16Å; S6-R24 VanDerWaalsContact CB-O 3.26Å; S6-R24 WeakPolarHBondContact CB-O 3.43Å; T7-R24 PolarHBondContact N-O 3.28Å; T7-R24 PolarHBondContact O-N 2.79Å; E9-R24 WeakPolarHBondContact OE1-CD 3.35Å; E9-R24 IonicContact OE1-NH1 2.89Å; E9-R24 PolarHBondContact OE1-NH1 3.05Å; E9-R24 VanDerWaalsContact OE1-NH1 3.08Å; L22-R24 HydrophobicContact CB-CG 4.24Å; 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 3.36Å; R24-E31 IonicContact CZ-OE1 3.98Å; R24-E31 IonicContact CZ-OE2 2.75Å; R24-E31 VanDerWaalsContact NE-CD 3.26Å; R24-E31 IonicContact NE-OE1 2.93Å; R24-E31 PolarHBondContact NE-OE1 2.68Å; R24-E31 IonicContact NE-OE2 3.2Å; R24-E31 PolarHBondContact NE-OE2 3.3Å; R24-E31 IonicContact NH2-OE1 2.66Å; R24-E31 IonicContact NH2-OE2 3.18Å; R24-E31 PolarHBondContact NH2-OE2 3.3Å; R24-R34 HydrophobicContact CG-CB 4.06Å
25Y98.6Very high97.4Very high44 Ų4455.2 Ų55.217%0.17325%0.253CS..EExtended strand (participates in β ladder)trans-123134.3-176.1-61.5-104.6000110D23 E31 Y32 V33 F42 W56D23-Y25 HydrophobicContact CB-CE2 4.47Å; D23-Y25 WeakPolarHBondContact OD2-CE2 3.42Å; D23-Y25 PolarHBondContact OD2-OH 3.15Å; Y25-E31 WeakPolarHBondContact O-CA 3.45Å; Y25-Y32 VanDerWaalsContact C-CE1 3.5Å; Y25-Y32 VanDerWaalsContact O-CD1 3.26Å; Y25-Y32 WeakPolarHBondContact O-CD1 3.31Å; Y25-Y32 PolarHBondContact O-N 3.34Å; Y25-V33 HydrophobicContact CD2-CG1 3.86Å; Y25-V33 HydrophobicContact CG-CG1 3.92Å; Y25-V33 PolarHBondContact N-O 3.27Å; Y25-F42 HydrophobicContact CE2-CE1 4.04Å; 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 3.7Å; Y25-W56 HydrophobicContact CE1-CH2 3.7Å; Y25-W56 HydrophobicContact CE1-CZ2 4.4Å; Y25-W56 HydrophobicContact CE1-CZ3 4.41Å; Y25-W56 AromaticContact CE2-CH2 3.91Å; Y25-W56 HydrophobicContact CE2-CH2 3.91Å; Y25-W56 AromaticContact CE2-CZ3 3.78Å; Y25-W56 HydrophobicContact CE2-CZ3 3.78Å; Y25-W56 AromaticContact CG-CH2 3.99Å; Y25-W56 HydrophobicContact CG-CH2 3.99Å; Y25-W56 HydrophobicContact CG-CZ3 4.29Å; Y25-W56 AromaticContact CZ-CH2 3.77Å
26F98.6Very high97.8Very high14 Ų1454.4 Ų54.46%0.06124%0.241CC..EExtended strand (participates in β ladder)trans-128.3131.8-170.2-58.8-98.6000111.8E4 Y5 T7 R24 E30 E31E4-F26 WeakPolarHBondContact CA-O 3.42Å; Y5-F26 HydrophobicContact CD1-CB 3.89Å; Y5-F26 HydrophobicContact CD2-CB 4.23Å; Y5-F26 AromaticContact CD2-CD2 3.76Å; Y5-F26 HydrophobicContact CD2-CD2 3.76Å; Y5-F26 HydrophobicContact CD2-CE2 4.45Å; Y5-F26 HydrophobicContact CD2-CG 4.21Å; Y5-F26 HydrophobicContact CE1-CB 3.52Å; Y5-F26 HydrophobicContact CE1-CG 4.07Å; Y5-F26 HydrophobicContact CE2-CB 3.87Å; Y5-F26 HydrophobicContact CE2-CD1 4.24Å; Y5-F26 AromaticContact CE2-CD2 3.34Å; Y5-F26 HydrophobicContact CE2-CD2 3.34Å; Y5-F26 AromaticContact CE2-CE2 3.86Å; Y5-F26 HydrophobicContact CE2-CE2 3.86Å; Y5-F26 AromaticContact CE2-CG 3.57Å; Y5-F26 HydrophobicContact CE2-CG 3.57Å; Y5-F26 HydrophobicContact CE2-CZ 4.47Å; Y5-F26 HydrophobicContact CG-CB 4.24Å; Y5-F26 VanDerWaalsContact CZ-CB 3.5Å; Y5-F26 AromaticContact CZ-CD1 3.93Å; Y5-F26 AromaticContact CZ-CD2 3.81Å; Y5-F26 AromaticContact CZ-CG 3.49Å; Y5-F26 VanDerWaalsContact CZ-CG 3.49Å; Y5-F26 PolarHBondContact N-O 2.62Å; Y5-F26 VanDerWaalsContact N-O 3.12Å; Y5-F26 PolarHBondContact O-N 3.12Å; T7-F26 HydrophobicContact CG2-CE2 3.96Å; 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 3.46Å; F26-E30 VanDerWaalsContact CA-O 3.28Å; F26-E30 WeakPolarHBondContact CA-O 3.25Å; F26-E31 HydrophobicContact CD1-CB 3.73Å; F26-E31 HydrophobicContact CD1-CG 4.4Å; F26-E31 HydrophobicContact CE1-CB 3.59Å; F26-E31 HydrophobicContact CE1-CG 4.08Å; F26-E31 HydrophobicContact CZ-CB 4.34Å; F26-E31 HydrophobicContact CZ-CG 4.34Å
27Y97.3Very high98Very high96 Ų9653 Ų5338%0.37623%0.233SC..EExtended strand (participates in β ladder)trans-114.1115.1171.8-175.1-87.7000107.8F2 E4 Q29 E30 L48F2-Y27 HydrophobicContact CD2-CD2 4.17Å; F2-Y27 AromaticContact CD2-CE2 3.51Å; F2-Y27 HydrophobicContact CD2-CE2 3.51Å; F2-Y27 AromaticContact CD2-CZ 3.72Å; F2-Y27 AromaticContact CE2-CD2 3.36Å; F2-Y27 HydrophobicContact CE2-CD2 3.36Å; F2-Y27 AromaticContact CE2-CE2 2.97Å; F2-Y27 HydrophobicContact CE2-CE2 2.97Å; F2-Y27 HydrophobicContact CE2-CG 4.32Å; F2-Y27 AromaticContact CE2-CZ 3.7Å; F2-Y27 HydrophobicContact CZ-CD2 4.2Å; F2-Y27 AromaticContact CZ-CE2 3.85Å; F2-Y27 HydrophobicContact CZ-CE2 3.85Å; E4-Y27 VanDerWaalsContact OE2-CD2 3.31Å; E4-Y27 WeakPolarHBondContact OE2-CD2 3.41Å; Y27-Q29 VanDerWaalsContact C-N 3.31Å; Y27-Q29 PolarHBondContact O-N 2.86Å; Y27-E30 PolarHBondContact N-O 2.68Å; Y27-E30 WeakPolarHBondContact O-CB 3.49Å; Y27-E30 PolarHBondContact O-N 2.84Å; Y27-L48 HydrophobicContact CD1-CD2 4.3Å; Y27-L48 HydrophobicContact CD2-CD2 4.45Å; Y27-L48 HydrophobicContact CG-CD2 4.04Å
28N96.2Very high98.2Very high67 Ų6749.8 Ų49.836%0.35822%0.221SC..THydrogen-bonded Turntrans49.746.1-176.5-63.5-38.6000114F2 L3 E30F2-N28 WeakPolarHBondContact CA-OD1 3.48Å; L3-N28 PolarHBondContact N-OD1 2.93Å; L3-N28 PolarHBondContact O-N 2.94Å; N28-E30 PolarHBondContact O-N 3.39Å
29Q95.8Very high98.3Very high152 Ų15246.1 Ų46.171%0.7121%0.214SC*.THydrogen-bonded Turntrans71.9-2.6-178.2-50168.250.700115L3 Y27L3-Q29 HydrophobicContact CD2-CG 4.46Å; Y27-Q29 VanDerWaalsContact C-N 3.31Å; Y27-Q29 PolarHBondContact O-N 2.86Å
30E98Very high98.3Very high121 Ų12146.3 Ų46.357%0.56522%0.218SC*.EExtended strand (participates in β ladder)trans-92.5120.7172.7-170.5175-174.100109.6F26 Y27 N28 Y32 T46F26-E30 CarbonylContact C-O 3.46Å; F26-E30 VanDerWaalsContact CA-O 3.28Å; F26-E30 WeakPolarHBondContact CA-O 3.25Å; Y27-E30 PolarHBondContact N-O 2.68Å; Y27-E30 WeakPolarHBondContact O-CB 3.49Å; Y27-E30 PolarHBondContact O-N 2.84Å; N28-E30 PolarHBondContact O-N 3.39Å; E30-Y32 PolarHBondContact O-N 3.4Å; E30-T46 HydrophobicContact CG-CG2 4.03Å; E30-T46 VanDerWaalsContact OE1-CG2 3.3Å; E30-T46 WeakPolarHBondContact OE1-CG2 3.38Å
31E98.6Very high98.3Very high19 Ų1946.3 Ų46.39%0.08922%0.221CC..EExtended strand (participates in β ladder)trans-69.4123.3174.4-173.1-177.5-174.700109.4R24 Y25 F26 R34 V45 T46R24-E31 WeakPolarHBondContact CG-OE1 3.36Å; R24-E31 IonicContact CZ-OE1 3.98Å; R24-E31 IonicContact CZ-OE2 2.75Å; R24-E31 VanDerWaalsContact NE-CD 3.26Å; R24-E31 IonicContact NE-OE1 2.93Å; R24-E31 PolarHBondContact NE-OE1 2.68Å; R24-E31 IonicContact NE-OE2 3.2Å; R24-E31 PolarHBondContact NE-OE2 3.3Å; R24-E31 IonicContact NH2-OE1 2.66Å; R24-E31 IonicContact NH2-OE2 3.18Å; R24-E31 PolarHBondContact NH2-OE2 3.3Å; Y25-E31 WeakPolarHBondContact O-CA 3.45Å; F26-E31 HydrophobicContact CD1-CB 3.73Å; F26-E31 HydrophobicContact CD1-CG 4.4Å; F26-E31 HydrophobicContact CE1-CB 3.59Å; F26-E31 HydrophobicContact CE1-CG 4.08Å; F26-E31 HydrophobicContact CZ-CB 4.34Å; F26-E31 HydrophobicContact CZ-CG 4.34Å; E31-R34 VanDerWaalsContact CD-NH2 3.27Å; E31-R34 WeakPolarHBondContact OE1-CB 3.2Å; E31-R34 IonicContact OE1-CZ 3.77Å; E31-R34 IonicContact OE1-NE 3.66Å; E31-R34 PolarHBondContact OE1-NE 2.87Å; E31-R34 IonicContact OE1-NH2 3.77Å; E31-R34 PolarHBondContact OE1-NH2 3.32Å; E31-R34 IonicContact OE2-CZ 2.72Å; E31-R34 IonicContact OE2-NE 3.32Å; E31-R34 IonicContact OE2-NH2 3.46Å; E31-R34 PolarHBondContact OE2-NH2 3.16Å; E31-V45 HydrophobicContact CB-CG1 4.4Å; E31-V45 HydrophobicContact CG-CB 4.33Å; E31-V45 HydrophobicContact CG-CG1 4.46Å; E31-V45 HydrophobicContact CG-CG2 3.95Å; E31-V45 WeakPolarHBondContact O-CB 3.45Å; E31-V45 WeakPolarHBondContact O-CG1 3.36Å; E31-T46 WeakPolarHBondContact O-CG2 3.3Å
32Y98.6Very high98.3Very high26 Ų2646.1 Ų46.110%0.10222%0.22CC..EExtended strand (participates in β ladder)trans-109.5-26.7-177.966.1-88.1000113.3E4 Y25 E30 V45 T46 L48 G49E4-Y32 WeakPolarHBondContact OE1-CE1 3.31Å; E4-Y32 VanDerWaalsContact OE1-CZ 3.28Å; E4-Y32 PolarHBondContact OE1-OH 2.95Å; Y25-Y32 VanDerWaalsContact C-CE1 3.5Å; Y25-Y32 VanDerWaalsContact O-CD1 3.26Å; Y25-Y32 WeakPolarHBondContact O-CD1 3.31Å; Y25-Y32 PolarHBondContact O-N 3.34Å; E30-Y32 PolarHBondContact O-N 3.4Å; Y32-V45 PolarHBondContact O-N 2.93Å; Y32-T46 WeakPolarHBondContact CA-OG1 3.41Å; Y32-T46 WeakPolarHBondContact CB-OG1 3.4Å; Y32-T46 PolarHBondContact O-N 3.19Å; Y32-L48 HydrophobicContact CG-CD2 4.38Å; Y32-G49 WeakPolarHBondContact O-CA 3.48Å
33V98.8Very high98.3Very high0 Ų052.3 Ų52.30%024%0.242CC..EExtended strand (participates in β ladder)trans-149.3146.817662.90000110.7Y25 F42 R43 A53 W56Y25-V33 HydrophobicContact CD2-CG1 3.86Å; Y25-V33 HydrophobicContact CG-CG1 3.92Å; Y25-V33 PolarHBondContact N-O 3.27Å; V33-F42 HydrophobicContact CG2-CB 4.27Å; V33-F42 HydrophobicContact CG2-CD1 4.21Å; V33-R43 WeakPolarHBondContact CA-O 3.33Å; V33-A53 HydrophobicContact CG2-CB 4.02Å; V33-W56 HydrophobicContact CB-CZ3 4.42Å; V33-W56 HydrophobicContact CG1-CE3 4.48Å; V33-W56 HydrophobicContact CG1-CH2 3.98Å; V33-W56 HydrophobicContact CG1-CZ3 3.5Å; V33-W56 VanDerWaalsContact CG1-CZ3 3.5Å; V33-W56 HydrophobicContact CG2-CE3 4.25Å; V33-W56 HydrophobicContact CG2-CZ3 3.99Å
34R98.8Very high98.3Very high78 Ų7854 Ų5429%0.29426%0.257SS..EExtended strand (participates in β ladder)trans-139.4149.8172.777.4176.564.11533.8112.9D23 R24 E31 F42 R43 V45D23-R34 CarbonylContact O-C 3.44Å; D23-R34 VanDerWaalsContact O-CA 3.23Å; D23-R34 WeakPolarHBondContact O-CA 3.28Å; R24-R34 HydrophobicContact CG-CB 4.06Å; E31-R34 VanDerWaalsContact CD-NH2 3.27Å; E31-R34 WeakPolarHBondContact OE1-CB 3.2Å; E31-R34 IonicContact OE1-CZ 3.77Å; E31-R34 IonicContact OE1-NE 3.66Å; E31-R34 PolarHBondContact OE1-NE 2.87Å; E31-R34 IonicContact OE1-NH2 3.77Å; E31-R34 PolarHBondContact OE1-NH2 3.32Å; E31-R34 IonicContact OE2-CZ 2.72Å; E31-R34 IonicContact OE2-NE 3.32Å; E31-R34 IonicContact OE2-NH2 3.46Å; E31-R34 PolarHBondContact OE2-NH2 3.16Å; R34-F42 CarbonylContact O-C 3.45Å; R34-F42 WeakPolarHBondContact O-CA 3.38Å; R34-R43 PolarHBondContact N-O 3.42Å; R34-R43 PolarHBondContact O-N 2.94Å; R34-V45 HydrophobicContact CB-CG2 4.49Å; R34-V45 HydrophobicContact CG-CG2 4.28Å
35F98.9Very high98.3Very high0 Ų054.2 Ų54.20%027%0.265CS..EExtended strand (participates in β ladder)trans-97.5140.8153.7179.7-91.3000109.4F21 L22 D23 G40 F42 L63 R66 R67F21-F35 AromaticContact CD1-CD1 3.91Å; F21-F35 HydrophobicContact CD1-CD1 3.91Å; F21-F35 HydrophobicContact CD1-CE1 4.01Å; F21-F35 HydrophobicContact CE1-CD1 4.16Å; L22-F35 WeakPolarHBondContact CA-O 3.23Å; D23-F35 HydrophobicContact CB-CB 4.13Å; D23-F35 PolarHBondContact N-O 3.44Å; D23-F35 PolarHBondContact O-N 3.41Å; F35-G40 VanDerWaalsContact CE2-C 3.49Å; F35-F42 HydrophobicContact CB-CD1 3.69Å; F35-F42 HydrophobicContact CB-CD2 4.34Å; F35-F42 HydrophobicContact CB-CE1 3.55Å; F35-F42 HydrophobicContact CB-CE2 4.18Å; F35-F42 HydrophobicContact CB-CG 4.11Å; F35-F42 HydrophobicContact CB-CZ 3.8Å; F35-F42 AromaticContact CD2-CD2 3.97Å; F35-F42 HydrophobicContact CD2-CD2 3.97Å; F35-F42 AromaticContact CD2-CE2 3.94Å; F35-F42 HydrophobicContact CD2-CE2 3.94Å; F35-F42 HydrophobicContact CD2-CG 4.4Å; F35-F42 HydrophobicContact CD2-CZ 4.37Å; F35-F42 HydrophobicContact CG-CE2 4.41Å; F35-F42 HydrophobicContact CG-CZ 4.38Å; F35-L63 HydrophobicContact CD2-CD1 4.17Å; F35-L63 HydrophobicContact CE2-CD1 3.75Å; F35-R66 HydrophobicContact CD1-CB 3.97Å; F35-R66 HydrophobicContact CD1-CG 4.45Å; F35-R66 HydrophobicContact CD2-CB 3.84Å; F35-R66 HydrophobicContact CD2-CG 4.32Å; F35-R66 HydrophobicContact CE1-CB 3.85Å; F35-R66 VanDerWaalsContact CE1-O 3.3Å; F35-R66 WeakPolarHBondContact CE1-O 3.39Å; F35-R66 HydrophobicContact CE2-CB 3.71Å; F35-R66 HydrophobicContact CG-CB 3.97Å; F35-R66 HydrophobicContact CG-CG 4.22Å; F35-R66 HydrophobicContact CZ-CB 3.72Å; F35-R67 HydrophobicContact CE2-CG 4.26Å; F35-R67 HydrophobicContact CZ-CG 3.89Å
36D98.8Very high98.3Very high14 Ų1453.7 Ų53.78%0.07527%0.267CS..EExtended strand (participates in β ladder)trans-132.5121.1174.4-176.1-9.5000109R20 L22 D38 V39 G40R20-D36 IonicContact CZ-OD1 3.68Å; R20-D36 IonicContact CZ-OD2 3.43Å; R20-D36 IonicContact NE-OD1 2.88Å; R20-D36 PolarHBondContact NE-OD1 3.22Å; R20-D36 IonicContact NE-OD2 3.45Å; R20-D36 PolarHBondContact NE-OD2 2.99Å; R20-D36 IonicContact NH2-OD1 3.65Å; R20-D36 IonicContact NH2-OD2 2.64Å; R20-D36 PolarHBondContact NH2-OD2 2.89Å; L22-D36 HydrophobicContact CD2-CB 3.78Å; D36-D38 PolarHBondContact O-N 3.09Å; D36-D38 PolarHBondContact OD1-N 2.96Å; D36-D38 VanDerWaalsContact OD1-N 3.08Å; D36-V39 HydrophobicContact CB-CB 4.26Å; D36-V39 HydrophobicContact CB-CG2 3.95Å; D36-V39 CarbonylContact O-C 3.56Å; D36-V39 WeakPolarHBondContact O-CA 3.4Å; D36-V39 PolarHBondContact O-N 3.2Å; D36-G40 PolarHBondContact O-N 2.95Å
37S98.6Very high98.2Very high26 Ų2659.4 Ų59.418%0.18229%0.293CS..THydrogen-bonded Turntrans-61.9-26.7-178.163.70000113.5R20 F21 V39 V70R20-S37 WeakPolarHBondContact CA-OG 3.42Å; F21-S37 PolarHBondContact N-OG 3.36Å; F21-S37 PolarHBondContact O-N 2.91Å; F21-S37 PolarHBondContact O-OG 3.29Å; S37-V39 PolarHBondContact O-N 3.15Å; S37-V70 VanDerWaalsContact CB-CG2 3.45Å
38D98.3Very high98.2Very high83 Ų8359.5 Ų59.544%0.44430%0.3SS..THydrogen-bonded Turntrans-71.8-19.6176.1-76.410.7000111.5R18 D36R18-D38 IonicContact CZ-OD2 3.99Å; R18-D38 IonicContact NH2-OD2 2.89Å; R18-D38 PolarHBondContact NH2-OD2 3.12Å; D36-D38 PolarHBondContact O-N 3.09Å; D36-D38 PolarHBondContact OD1-N 2.96Å; D36-D38 VanDerWaalsContact OD1-N 3.08Å
39V98.5Very high98.3Very high69 Ų6956.3 Ų56.342%0.41828%0.283SS..THydrogen-bonded Turntrans-100-37.8175.6-171.90000111.3D36 S37 E41D36-V39 HydrophobicContact CB-CB 4.26Å; D36-V39 HydrophobicContact CB-CG2 3.95Å; D36-V39 CarbonylContact O-C 3.56Å; D36-V39 WeakPolarHBondContact O-CA 3.4Å; D36-V39 PolarHBondContact O-N 3.2Å; S37-V39 PolarHBondContact O-N 3.15Å; V39-E41 HydrophobicContact CG1-CG 3.98Å
40G98.4Very high98.5Very high11 Ų1155 Ų5511%0.11327%0.272CS..THydrogen-bonded Turntrans81.416.4177.900000115.1F35 D36 R67F35-G40 VanDerWaalsContact CE2-C 3.49Å; D36-G40 PolarHBondContact O-N 2.95Å; G40-R67 VanDerWaalsContact O-CZ 3.27Å; G40-R67 PolarHBondContact O-NE 3.14Å; G40-R67 PolarHBondContact O-NH2 3.11Å
41E98.7Very high98.5Very high67 Ų6753.3 Ų53.331%0.31327%0.271SS..EExtended strand (participates in β ladder)trans-151.2163.4177.372.8-172-178.700112.3V39 R43V39-E41 HydrophobicContact CG1-CG 3.98Å; E41-R43 HydrophobicContact CG-CG 4.22Å; E41-R43 IonicContact OE1-CZ 3.36Å; E41-R43 IonicContact OE1-NE 2.95Å; E41-R43 PolarHBondContact OE1-NE 2.78Å; E41-R43 IonicContact OE1-NH2 3.65Å; E41-R43 PolarHBondContact OE1-NH2 3.34Å
42F98.8Very high98.5Very high2 Ų253.9 Ų53.91%0.00928%0.277CS..EExtended strand (participates in β ladder)trans-76.6135170.7-71.6-92.2000110.6Y25 V33 R34 F35 A53 W56 N57 F62 L63 R66Y25-F42 HydrophobicContact CE2-CE1 4.04Å; V33-F42 HydrophobicContact CG2-CB 4.27Å; V33-F42 HydrophobicContact CG2-CD1 4.21Å; R34-F42 CarbonylContact O-C 3.45Å; R34-F42 WeakPolarHBondContact O-CA 3.38Å; F35-F42 HydrophobicContact CB-CD1 3.69Å; F35-F42 HydrophobicContact CB-CD2 4.34Å; F35-F42 HydrophobicContact CB-CE1 3.55Å; F35-F42 HydrophobicContact CB-CE2 4.18Å; F35-F42 HydrophobicContact CB-CG 4.11Å; F35-F42 HydrophobicContact CB-CZ 3.8Å; F35-F42 AromaticContact CD2-CD2 3.97Å; F35-F42 HydrophobicContact CD2-CD2 3.97Å; F35-F42 AromaticContact CD2-CE2 3.94Å; F35-F42 HydrophobicContact CD2-CE2 3.94Å; F35-F42 HydrophobicContact CD2-CG 4.4Å; F35-F42 HydrophobicContact CD2-CZ 4.37Å; F35-F42 HydrophobicContact CG-CE2 4.41Å; F35-F42 HydrophobicContact CG-CZ 4.38Å; F42-A53 HydrophobicContact CB-CB 4.28Å; F42-W56 HydrophobicContact CB-CE3 4.45Å; F42-W56 HydrophobicContact CD1-CD2 4.42Å; F42-W56 AromaticContact CD1-CE3 3.34Å; F42-W56 HydrophobicContact CD1-CE3 3.34Å; F42-W56 AromaticContact CD1-CZ3 3.77Å; F42-W56 HydrophobicContact CD1-CZ3 3.77Å; F42-W56 HydrophobicContact CD2-CB 3.77Å; F42-W56 HydrophobicContact CD2-CE3 4.37Å; F42-W56 HydrophobicContact CE1-CD2 4.36Å; F42-W56 AromaticContact CE1-CE3 3.46Å; F42-W56 HydrophobicContact CE1-CE3 3.46Å; F42-W56 VanDerWaalsContact CE1-CE3 3.46Å; F42-W56 AromaticContact CE1-CZ3 3.75Å; F42-W56 HydrophobicContact CE1-CZ3 3.75Å; F42-W56 HydrophobicContact CE2-CB 4.04Å; F42-W56 HydrophobicContact CE2-CE3 4.5Å; F42-W56 HydrophobicContact CG-CB 4.14Å; F42-W56 AromaticContact CG-CE3 3.82Å; F42-W56 HydrophobicContact CG-CE3 3.82Å; F42-W56 HydrophobicContact CZ-CE3 4.07Å; F42-N57 PolarHBondContact N-OD1 3.39Å; F42-N57 PolarHBondContact O-ND2 3.08Å; F42-F62 HydrophobicContact CD2-CE1 4.46Å; F42-F62 HydrophobicContact CE1-CE1 4.43Å; F42-F62 AromaticContact CE2-CD1 3.97Å; F42-F62 HydrophobicContact CE2-CD1 3.97Å; F42-F62 AromaticContact CE2-CE1 3.42Å; F42-F62 HydrophobicContact CE2-CE1 3.42Å; F42-F62 VanDerWaalsContact CE2-CE1 3.42Å; F42-F62 HydrophobicContact CE2-CZ 4.26Å; F42-F62 HydrophobicContact CZ-CD1 4.36Å; F42-F62 AromaticContact CZ-CE1 3.39Å; F42-F62 HydrophobicContact CZ-CE1 3.39Å; F42-F62 AromaticContact CZ-CZ 3.82Å; F42-F62 HydrophobicContact CZ-CZ 3.82Å; F42-L63 HydrophobicContact CD2-CD1 4.28Å; F42-R66 HydrophobicContact CE2-CB 4.47Å; F42-R66 HydrophobicContact CE2-CG 3.81Å; F42-R66 HydrophobicContact CZ-CG 3.59Å
43R98.8Very high98.5Very high141 Ų14153 Ų5353%0.53228%0.275SS..EExtended strand (participates in β ladder)trans-126.4132.9173.3-68.4-162.3168-178.4-1111V33 R34 E41 V45V33-R43 WeakPolarHBondContact CA-O 3.33Å; R34-R43 PolarHBondContact N-O 3.42Å; R34-R43 PolarHBondContact O-N 2.94Å; E41-R43 HydrophobicContact CG-CG 4.22Å; E41-R43 IonicContact OE1-CZ 3.36Å; E41-R43 IonicContact OE1-NE 2.95Å; E41-R43 PolarHBondContact OE1-NE 2.78Å; E41-R43 IonicContact OE1-NH2 3.65Å; E41-R43 PolarHBondContact OE1-NH2 3.34Å; R43-V45 PolarHBondContact O-N 2.83Å
44A98.6Very high98.5Very high44 Ų4459 Ų5936%0.36430%0.303SS..EExtended strand (participates in β ladder)trans-64.6127.2168.700000109.2R50 A53A44-R50 HydrophobicContact CB-CB 4.34Å; A44-A53 HydrophobicContact CB-CB 4.34Å
45V98.4Very high98.5Very high65 Ų6562 Ų6239%0.39432%0.315SS..SBendtrans-89.7-31.6173.3179.80000109.7E31 Y32 R34 R43E31-V45 HydrophobicContact CB-CG1 4.4Å; E31-V45 HydrophobicContact CG-CB 4.33Å; E31-V45 HydrophobicContact CG-CG1 4.46Å; E31-V45 HydrophobicContact CG-CG2 3.95Å; E31-V45 WeakPolarHBondContact O-CB 3.45Å; E31-V45 WeakPolarHBondContact O-CG1 3.36Å; Y32-V45 PolarHBondContact O-N 2.93Å; R34-V45 HydrophobicContact CB-CG2 4.49Å; R34-V45 HydrophobicContact CG-CG2 4.28Å; R43-V45 PolarHBondContact O-N 2.83Å
46T98.3Very high98.5Very high32 Ų3264 Ų6420%0.19632%0.323CS..SBendtrans-129166.9173.169.50000110E30 E31 Y32 L48 G49E30-T46 HydrophobicContact CG-CG2 4.03Å; E30-T46 VanDerWaalsContact OE1-CG2 3.3Å; E30-T46 WeakPolarHBondContact OE1-CG2 3.38Å; E31-T46 WeakPolarHBondContact O-CG2 3.3Å; Y32-T46 WeakPolarHBondContact CA-OG1 3.41Å; Y32-T46 WeakPolarHBondContact CB-OG1 3.4Å; Y32-T46 PolarHBondContact O-N 3.19Å; T46-L48 PolarHBondContact O-N 3.34Å; T46-L48 VanDerWaalsContact O-N 3.15Å; T46-G49 PolarHBondContact O-N 2.89Å
47E97.8Very high98.5Very high134 Ų13465.4 Ų65.463%0.62633%0.331SS*.G310 helixtrans-56.1-31.7177.9-70.9-5914700113.3G49 R50E47-G49 PolarHBondContact O-N 2.93Å; E47-R50 WeakPolarHBondContact O-CB 3.4Å; E47-R50 PolarHBondContact O-N 2.76Å; E47-R50 IonicContact OE1-NH2 3.84Å; E47-R50 PolarHBondContact OE1-NH2 2.87Å; E47-R50 IonicContact OE2-CZ 2.68Å; E47-R50 IonicContact OE2-NE 3.13Å; E47-R50 PolarHBondContact OE2-NE 3.18Å; E47-R50 IonicContact OE2-NH2 2.76Å; E47-R50 PolarHBondContact OE2-NH2 2.96Å
48L97Very high98.5Very high99 Ų9968.1 Ų68.152%0.51835%0.35SS..G310 helixtrans-59.8-33.6177.9-177.264.8000112.5Y27 Y32 T46Y27-L48 HydrophobicContact CD1-CD2 4.3Å; Y27-L48 HydrophobicContact CD2-CD2 4.45Å; Y27-L48 HydrophobicContact CG-CD2 4.04Å; Y32-L48 HydrophobicContact CG-CD2 4.38Å; T46-L48 PolarHBondContact O-N 3.34Å; T46-L48 VanDerWaalsContact O-N 3.15Å
49G98.5Very high98.5Very high0 Ų067.5 Ų67.50%034%0.344CS..G310 helixtrans-85.9-6.6-176.600000115.8Y32 T46 E47 S52 A53Y32-G49 WeakPolarHBondContact O-CA 3.48Å; T46-G49 PolarHBondContact O-N 2.89Å; E47-G49 PolarHBondContact O-N 2.93Å; G49-S52 PolarHBondContact O-N 2.75Å; G49-A53 WeakPolarHBondContact O-CB 3.43Å; G49-A53 PolarHBondContact O-N 3.19Å
50R98.7Very high98.4Very high125 Ų12572.1 Ų72.147%0.47236%0.359SS..Hα-helixtrans-53.1-53.1179.4-171.2-175-60-156.9-3.1113.2A44 E47 S52 A53 E54A44-R50 HydrophobicContact CB-CB 4.34Å; E47-R50 WeakPolarHBondContact O-CB 3.4Å; E47-R50 PolarHBondContact O-N 2.76Å; E47-R50 IonicContact OE1-NH2 3.84Å; E47-R50 PolarHBondContact OE1-NH2 2.87Å; E47-R50 IonicContact OE2-CZ 2.68Å; E47-R50 IonicContact OE2-NE 3.13Å; E47-R50 PolarHBondContact OE2-NE 3.18Å; E47-R50 IonicContact OE2-NH2 2.76Å; E47-R50 PolarHBondContact OE2-NH2 2.96Å; R50-S52 VanDerWaalsContact C-N 3.31Å; R50-S52 PolarHBondContact O-N 2.87Å; R50-A53 PolarHBondContact O-N 3.35Å; R50-E54 WeakPolarHBondContact CG-OE1 3.31Å; R50-E54 WeakPolarHBondContact O-CG 3.36Å; R50-E54 PolarHBondContact O-N 2.72Å
51P98.6Very high98.4Very high84 Ų8478 Ų7855%0.54539%0.387SS..Hα-helixtrans-61.8-37.1179.221.1-32.1000113Y55P51-Y55 VanDerWaalsContact O-CB 3.26Å; P51-Y55 WeakPolarHBondContact O-CB 3.3Å; P51-Y55 PolarHBondContact O-N 3.22Å
52S98.4Very high98.4Very high31 Ų3177.3 Ų77.322%0.21738%0.383CS..Hα-helixtrans-66.4-45.2177.1-57.20000111.9G49 R50 Y55 W56G49-S52 PolarHBondContact O-N 2.75Å; R50-S52 VanDerWaalsContact C-N 3.31Å; R50-S52 PolarHBondContact O-N 2.87Å; S52-Y55 PolarHBondContact O-N 2.66Å; S52-W56 WeakPolarHBondContact O-CB 3.29Å; S52-W56 VanDerWaalsContact O-CG 3.24Å; S52-W56 PolarHBondContact O-N 3.39Å
53A98.8Very high98.4Very high7 Ų777.9 Ų77.96%0.05839%0.386CS..Hα-helixtrans-61.7-46.6178.300000111.7V33 F42 A44 G49 R50 N57V33-A53 HydrophobicContact CG2-CB 4.02Å; F42-A53 HydrophobicContact CB-CB 4.28Å; A44-A53 HydrophobicContact CB-CB 4.34Å; G49-A53 WeakPolarHBondContact O-CB 3.43Å; G49-A53 PolarHBondContact O-N 3.19Å; R50-A53 PolarHBondContact O-N 3.35Å; A53-N57 VanDerWaalsContact O-CB 3.25Å; A53-N57 WeakPolarHBondContact O-CB 3.21Å; A53-N57 PolarHBondContact O-N 2.95Å; A53-N57 PolarHBondContact O-ND2 2.98Å; A53-N57 VanDerWaalsContact O-ND2 3.12Å
54E98.7Very high98.4Very high127 Ų12775.9 Ų75.959%0.59338%0.383SS*.Hα-helixtrans-60.6-47.8176.9-72.4173.2-172.700111.6R50 S58R50-E54 WeakPolarHBondContact CG-OE1 3.31Å; R50-E54 WeakPolarHBondContact O-CG 3.36Å; R50-E54 PolarHBondContact O-N 2.72Å; E54-S58 PolarHBondContact O-N 2.85Å; E54-S58 VanDerWaalsContact O-N 3.09Å
55Y98.7Very high98.4Very high140 Ų14078 Ų7855%0.54939%0.388SS..Hα-helixtrans-63.7-47.5-179.6177.6-117.5000112.2P51 S52 S58 Q59P51-Y55 VanDerWaalsContact O-CB 3.26Å; P51-Y55 WeakPolarHBondContact O-CB 3.3Å; P51-Y55 PolarHBondContact O-N 3.22Å; S52-Y55 PolarHBondContact O-N 2.66Å; Y55-S58 PolarHBondContact O-N 2.97Å; Y55-S58 PolarHBondContact O-OG 2.81Å; Y55-Q59 PolarHBondContact O-N 3.15Å
56W98.7Very high98.4Very high42 Ų4277.9 Ų77.916%0.15938%0.381CS..Hα-helixtrans-69-37-179.1-66.1-24.8000112.7Y25 V33 F42 S52 S58 Q59 F62Y25-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 3.7Å; Y25-W56 HydrophobicContact CE1-CH2 3.7Å; Y25-W56 HydrophobicContact CE1-CZ2 4.4Å; Y25-W56 HydrophobicContact CE1-CZ3 4.41Å; Y25-W56 AromaticContact CE2-CH2 3.91Å; Y25-W56 HydrophobicContact CE2-CH2 3.91Å; Y25-W56 AromaticContact CE2-CZ3 3.78Å; Y25-W56 HydrophobicContact CE2-CZ3 3.78Å; Y25-W56 AromaticContact CG-CH2 3.99Å; Y25-W56 HydrophobicContact CG-CH2 3.99Å; Y25-W56 HydrophobicContact CG-CZ3 4.29Å; Y25-W56 AromaticContact CZ-CH2 3.77Å; V33-W56 HydrophobicContact CB-CZ3 4.42Å; V33-W56 HydrophobicContact CG1-CE3 4.48Å; V33-W56 HydrophobicContact CG1-CH2 3.98Å; V33-W56 HydrophobicContact CG1-CZ3 3.5Å; V33-W56 VanDerWaalsContact CG1-CZ3 3.5Å; V33-W56 HydrophobicContact CG2-CE3 4.25Å; V33-W56 HydrophobicContact CG2-CZ3 3.99Å; F42-W56 HydrophobicContact CB-CE3 4.45Å; F42-W56 HydrophobicContact CD1-CD2 4.42Å; F42-W56 AromaticContact CD1-CE3 3.34Å; F42-W56 HydrophobicContact CD1-CE3 3.34Å; F42-W56 AromaticContact CD1-CZ3 3.77Å; F42-W56 HydrophobicContact CD1-CZ3 3.77Å; F42-W56 HydrophobicContact CD2-CB 3.77Å; F42-W56 HydrophobicContact CD2-CE3 4.37Å; F42-W56 HydrophobicContact CE1-CD2 4.36Å; F42-W56 AromaticContact CE1-CE3 3.46Å; F42-W56 HydrophobicContact CE1-CE3 3.46Å; F42-W56 VanDerWaalsContact CE1-CE3 3.46Å; F42-W56 AromaticContact CE1-CZ3 3.75Å; F42-W56 HydrophobicContact CE1-CZ3 3.75Å; F42-W56 HydrophobicContact CE2-CB 4.04Å; F42-W56 HydrophobicContact CE2-CE3 4.5Å; F42-W56 HydrophobicContact CG-CB 4.14Å; F42-W56 AromaticContact CG-CE3 3.82Å; F42-W56 HydrophobicContact CG-CE3 3.82Å; F42-W56 HydrophobicContact CZ-CE3 4.07Å; S52-W56 WeakPolarHBondContact O-CB 3.29Å; S52-W56 VanDerWaalsContact O-CG 3.24Å; S52-W56 PolarHBondContact O-N 3.39Å; W56-S58 PolarHBondContact O-N 3.31Å; W56-Q59 PolarHBondContact O-N 3.12Å; W56-Q59 VanDerWaalsContact O-N 3.15Å; W56-F62 HydrophobicContact CB-CD1 3.99Å; W56-F62 HydrophobicContact CB-CE1 3.86Å; W56-F62 AromaticContact CD1-CE1 3.99Å; W56-F62 HydrophobicContact CD2-CE1 4.16Å; W56-F62 HydrophobicContact CG-CD1 4.2Å; W56-F62 AromaticContact CG-CE1 3.75Å; W56-F62 HydrophobicContact CG-CE1 3.75Å
57N98.8Very high98.4Very high45 Ų4581.5 Ų81.524%0.24139%0.391CS..Hα-helixtrans-68-24.8174.3-71.3-25.2000112.8F42 A53 Q59F42-N57 PolarHBondContact N-OD1 3.39Å; F42-N57 PolarHBondContact O-ND2 3.08Å; A53-N57 VanDerWaalsContact O-CB 3.25Å; A53-N57 WeakPolarHBondContact O-CB 3.21Å; A53-N57 PolarHBondContact O-N 2.95Å; A53-N57 PolarHBondContact O-ND2 2.98Å; A53-N57 VanDerWaalsContact O-ND2 3.12Å; N57-Q59 VanDerWaalsContact C-N 3.3Å
58S98.5Very high98.5Very high83 Ų8377 Ų7758%0.5838%0.376SS*.Hα-helixtrans-73.5-21.6173.780.80000113.4E54 Y55 W56 K60E54-S58 PolarHBondContact O-N 2.85Å; E54-S58 VanDerWaalsContact O-N 3.09Å; Y55-S58 PolarHBondContact O-N 2.97Å; Y55-S58 PolarHBondContact O-OG 2.81Å; W56-S58 PolarHBondContact O-N 3.31Å; S58-K60 PolarHBondContact O-N 3.11Å
59Q98.6Very high98.5Very high69 Ų6972.4 Ų72.432%0.32235%0.353SS..  trans-89.190.4179.6-68.8-175.585.700110.7Y55 W56 N57 D61 F62 L63Y55-Q59 PolarHBondContact O-N 3.15Å; W56-Q59 PolarHBondContact O-N 3.12Å; W56-Q59 VanDerWaalsContact O-N 3.15Å; N57-Q59 VanDerWaalsContact C-N 3.3Å; Q59-D61 PolarHBondContact O-N 3.42Å; Q59-F62 HydrophobicContact CB-CB 3.92Å; Q59-F62 PolarHBondContact O-N 3.06Å; Q59-L63 PolarHBondContact O-N 2.94Å
60K97.9Very high98.5Very high167 Ų16773.2 Ų73.273%0.72636%0.358SS*.Hα-helixtrans-53.5-48.8-174.3-69.1-174.7176.4-178.50113.5S58 F62 L63 E64S58-K60 PolarHBondContact O-N 3.11Å; K60-F62 VanDerWaalsContact C-N 3.32Å; K60-F62 PolarHBondContact O-N 2.03Å; K60-L63 PolarHBondContact O-N 3.04Å; K60-E64 WeakPolarHBondContact O-CG 3.38Å; K60-E64 PolarHBondContact O-N 3.26Å
61D98.4Very high98.5Very high134 Ų13471.8 Ų71.872%0.71736%0.36SS*.Hα-helixtrans-62.4-42.8-177.4-57.5-18.3000111.1Q59 L63 E64 D65Q59-D61 PolarHBondContact O-N 3.42Å; D61-L63 VanDerWaalsContact C-N 3.35Å; D61-L63 PolarHBondContact O-N 3.15Å; D61-E64 PolarHBondContact O-N 2.98Å; D61-D65 VanDerWaalsContact O-CG 3.31Å; D61-D65 PolarHBondContact O-N 3.42Å
62F98.2Very high98.5Very high52 Ų5272.3 Ų72.323%0.22836%0.361CS..Hα-helixtrans-64.6-39.2177.6179.8-112.2000112.8F42 W56 Q59 K60 R66F42-F62 HydrophobicContact CD2-CE1 4.46Å; F42-F62 HydrophobicContact CE1-CE1 4.43Å; F42-F62 AromaticContact CE2-CD1 3.97Å; F42-F62 HydrophobicContact CE2-CD1 3.97Å; F42-F62 AromaticContact CE2-CE1 3.42Å; F42-F62 HydrophobicContact CE2-CE1 3.42Å; F42-F62 VanDerWaalsContact CE2-CE1 3.42Å; F42-F62 HydrophobicContact CE2-CZ 4.26Å; F42-F62 HydrophobicContact CZ-CD1 4.36Å; F42-F62 AromaticContact CZ-CE1 3.39Å; F42-F62 HydrophobicContact CZ-CE1 3.39Å; F42-F62 AromaticContact CZ-CZ 3.82Å; F42-F62 HydrophobicContact CZ-CZ 3.82Å; W56-F62 HydrophobicContact CB-CD1 3.99Å; W56-F62 HydrophobicContact CB-CE1 3.86Å; W56-F62 AromaticContact CD1-CE1 3.99Å; W56-F62 HydrophobicContact CD2-CE1 4.16Å; W56-F62 HydrophobicContact CG-CD1 4.2Å; W56-F62 AromaticContact CG-CE1 3.75Å; W56-F62 HydrophobicContact CG-CE1 3.75Å; Q59-F62 HydrophobicContact CB-CB 3.92Å; Q59-F62 PolarHBondContact O-N 3.06Å; K60-F62 VanDerWaalsContact C-N 3.32Å; K60-F62 PolarHBondContact O-N 2.03Å; F62-R66 HydrophobicContact CZ-CG 4.46Å; F62-R66 PolarHBondContact O-N 2.95Å; F62-R66 VanDerWaalsContact O-N 3.16Å; F62-R66 PolarHBondContact O-NE 3.46Å
63L98.6Very high98.5Very high14 Ų1475.8 Ų75.87%0.07337%0.371CS..Hα-helixtrans-68.9-42.7178.1-178.260.5000111.7F35 F42 Q59 K60 D61 D65 R66 R67F35-L63 HydrophobicContact CD2-CD1 4.17Å; F35-L63 HydrophobicContact CE2-CD1 3.75Å; F42-L63 HydrophobicContact CD2-CD1 4.28Å; Q59-L63 PolarHBondContact O-N 2.94Å; K60-L63 PolarHBondContact O-N 3.04Å; D61-L63 VanDerWaalsContact C-N 3.35Å; D61-L63 PolarHBondContact O-N 3.15Å; L63-D65 VanDerWaalsContact C-N 3.34Å; L63-R66 PolarHBondContact O-N 2.76Å; L63-R67 WeakPolarHBondContact O-CG 3.23Å; L63-R67 PolarHBondContact O-N 3.07Å
64E98.6Very high98.4Very high99 Ų9975.5 Ų75.546%0.46337%0.368SS..Hα-helixtrans-63.3-39.9174.4-70.7-53.9135.100111.7K60 D61 R66 R67 A68K60-E64 WeakPolarHBondContact O-CG 3.38Å; K60-E64 PolarHBondContact O-N 3.26Å; D61-E64 PolarHBondContact O-N 2.98Å; E64-R66 VanDerWaalsContact C-N 3.29Å; E64-R66 PolarHBondContact O-N 3.17Å; E64-R67 WeakPolarHBondContact O-CB 3.47Å; E64-R67 PolarHBondContact O-N 3.31Å; E64-R67 IonicContact OE1-CZ 2.96Å; E64-R67 IonicContact OE1-NE 3.08Å; E64-R67 IonicContact OE1-NH1 3.82Å; E64-R67 PolarHBondContact OE1-NH1 2.93Å; E64-A68 WeakPolarHBondContact O-CB 3.04Å; E64-A68 PolarHBondContact O-N 2.81Å
65D98.4Very high98.4Very high89 Ų8973 Ų7348%0.47635%0.353SS..Hα-helixtrans-59.9-39.4173.8-74.6-14.8000112.2D61 L63 A68 A69D61-D65 VanDerWaalsContact O-CG 3.31Å; D61-D65 PolarHBondContact O-N 3.42Å; L63-D65 VanDerWaalsContact C-N 3.34Å; D65-A68 PolarHBondContact O-N 2.91Å; D65-A69 PolarHBondContact O-N 3.08Å; D65-A69 VanDerWaalsContact O-N 3.12Å
66R98.4Very high98.3Very high63 Ų6371.7 Ų71.724%0.23835%0.352CS..Hα-helixtrans-69.5-37.1176.9-83.2-5.978.5179.26.7111.8F35 F42 F62 L63 E64 A68 A69F35-R66 HydrophobicContact CD1-CB 3.97Å; F35-R66 HydrophobicContact CD1-CG 4.45Å; F35-R66 HydrophobicContact CD2-CB 3.84Å; F35-R66 HydrophobicContact CD2-CG 4.32Å; F35-R66 HydrophobicContact CE1-CB 3.85Å; F35-R66 VanDerWaalsContact CE1-O 3.3Å; F35-R66 WeakPolarHBondContact CE1-O 3.39Å; F35-R66 HydrophobicContact CE2-CB 3.71Å; F35-R66 HydrophobicContact CG-CB 3.97Å; F35-R66 HydrophobicContact CG-CG 4.22Å; F35-R66 HydrophobicContact CZ-CB 3.72Å; F42-R66 HydrophobicContact CE2-CB 4.47Å; F42-R66 HydrophobicContact CE2-CG 3.81Å; F42-R66 HydrophobicContact CZ-CG 3.59Å; F62-R66 HydrophobicContact CZ-CG 4.46Å; F62-R66 PolarHBondContact O-N 2.95Å; F62-R66 VanDerWaalsContact O-N 3.16Å; F62-R66 PolarHBondContact O-NE 3.46Å; L63-R66 PolarHBondContact O-N 2.76Å; E64-R66 VanDerWaalsContact C-N 3.29Å; E64-R66 PolarHBondContact O-N 3.17Å; R66-A68 VanDerWaalsContact C-N 3.33Å; R66-A69 VanDerWaalsContact O-CB 3.31Å; R66-A69 WeakPolarHBondContact O-CB 3.32Å; R66-A69 PolarHBondContact O-N 3.27Å
67R98.6Very high98.1Very high107 Ų10772.6 Ų72.640%0.40436%0.36SS..Hα-helixtrans-62.7-41.4172.7-70.1168.2177.3176.9-3.2111.3F35 G40 L63 E64 A69F35-R67 HydrophobicContact CE2-CG 4.26Å; F35-R67 HydrophobicContact CZ-CG 3.89Å; G40-R67 VanDerWaalsContact O-CZ 3.27Å; G40-R67 PolarHBondContact O-NE 3.14Å; G40-R67 PolarHBondContact O-NH2 3.11Å; L63-R67 WeakPolarHBondContact O-CG 3.23Å; L63-R67 PolarHBondContact O-N 3.07Å; E64-R67 WeakPolarHBondContact O-CB 3.47Å; E64-R67 PolarHBondContact O-N 3.31Å; E64-R67 IonicContact OE1-CZ 2.96Å; E64-R67 IonicContact OE1-NE 3.08Å; E64-R67 IonicContact OE1-NH1 3.82Å; E64-R67 PolarHBondContact OE1-NH1 2.93Å; R67-A69 VanDerWaalsContact C-N 3.27Å; R67-A69 PolarHBondContact O-N 2.86Å
68A98.6Very high97.9Very high39 Ų3972.6 Ų72.632%0.32236%0.357SS..Hα-helixtrans-71.4-18.4178.800000113.8E64 D65 R66 V70 D71 T72E64-A68 WeakPolarHBondContact O-CB 3.04Å; E64-A68 PolarHBondContact O-N 2.81Å; D65-A68 PolarHBondContact O-N 2.91Å; R66-A68 VanDerWaalsContact C-N 3.33Å; A68-V70 PolarHBondContact O-N 3.11Å; A68-V70 VanDerWaalsContact O-N 3.08Å; A68-D71 PolarHBondContact O-N 2.96Å; A68-T72 HydrophobicContact CB-CG2 4.21Å; A68-T72 PolarHBondContact O-N 3.37Å; A68-T72 PolarHBondContact O-OG1 2.76Å
69A98.6Very high97.7Very high4 Ų470.7 Ų70.73%0.03335%0.351CS..Hα-helixtrans-59.6-22.3-176.700000114.2F21 D65 R66 R67 D71 T72 Y73 C74F21-A69 HydrophobicContact CD1-CB 3.63Å; F21-A69 HydrophobicContact CD2-CB 4.35Å; F21-A69 HydrophobicContact CE1-CB 3.62Å; F21-A69 HydrophobicContact CE2-CB 4.34Å; F21-A69 HydrophobicContact CG-CB 4.01Å; F21-A69 HydrophobicContact CZ-CB 3.99Å; D65-A69 PolarHBondContact O-N 3.08Å; D65-A69 VanDerWaalsContact O-N 3.12Å; R66-A69 VanDerWaalsContact O-CB 3.31Å; R66-A69 WeakPolarHBondContact O-CB 3.32Å; R66-A69 PolarHBondContact O-N 3.27Å; R67-A69 VanDerWaalsContact C-N 3.27Å; R67-A69 PolarHBondContact O-N 2.86Å; A69-D71 PolarHBondContact O-N 2.81Å; A69-T72 WeakPolarHBondContact CA-OG1 3.34Å; A69-Y73 WeakPolarHBondContact O-CA 3.49Å; A69-Y73 WeakPolarHBondContact O-CB 3.5Å; A69-Y73 PolarHBondContact O-N 3.41Å; A69-C74 PolarHBondContact O-N 2.86Å
70V98.6Very high97.4Very high16 Ų1671.3 Ų71.310%0.09736%0.359CS..Iπ-helixtrans-57.2-42.5172-172.60000110.7V19 F21 S37 A68 C74 R75V19-V70 HydrophobicContact CB-CG1 3.72Å; V19-V70 HydrophobicContact CG1-CG1 3.86Å; V19-V70 WeakPolarHBondContact O-CG1 3.49Å; F21-V70 HydrophobicContact CB-CG2 4.02Å; S37-V70 VanDerWaalsContact CB-CG2 3.45Å; A68-V70 PolarHBondContact O-N 3.11Å; A68-V70 VanDerWaalsContact O-N 3.08Å; V70-C74 WeakPolarHBondContact O-CB 3.35Å; V70-R75 VanDerWaalsContact CG1-NH1 3.33Å; V70-R75 PolarHBondContact O-N 3.38Å
71D98.4Very high97.1Very high95 Ų9566.3 Ų66.351%0.50834%0.342SS..Iπ-helixtrans-89.3-51.6179.5-73.1-56.9000112.1A68 A69 Y73 R75 H76A68-D71 PolarHBondContact O-N 2.96Å; A69-D71 PolarHBondContact O-N 2.81Å; D71-Y73 VanDerWaalsContact C-N 3.33Å; D71-Y73 PolarHBondContact O-N 2.63Å; D71-R75 VanDerWaalsContact CG-NH1 3.3Å; D71-R75 WeakPolarHBondContact OD1-CD 3.43Å; D71-R75 IonicContact OD1-CZ 2.63Å; D71-R75 IonicContact OD1-NE 3.57Å; D71-R75 IonicContact OD1-NH1 3.83Å; D71-R75 PolarHBondContact OD1-NH1 3.41Å; D71-R75 IonicContact OD2-NH1 2.86Å; D71-H76 PolarHBondContact O-N 3.21Å
72T98Very high96.6Very high95 Ų9562.9 Ų62.958%0.58332%0.322SS*.Iπ-helixtrans-73-26.9-169.461.60000113.1A68 A69 H76A68-T72 HydrophobicContact CB-CG2 4.21Å; A68-T72 PolarHBondContact O-N 3.37Å; A68-T72 PolarHBondContact O-OG1 2.76Å; A69-T72 WeakPolarHBondContact CA-OG1 3.34Å; T72-H76 VanDerWaalsContact O-CB 3.29Å; T72-H76 WeakPolarHBondContact O-CB 3.44Å
73Y97.8Very high95.9Very high105 Ų10563.1 Ų63.141%0.41233%0.33SS..Iπ-helixtrans-111.5-59.1179.5-179.3-101.3000111.4C10 F21 A69 D71 N77C10-Y73 VanDerWaalsContact SG-CD1 3.59Å; F21-Y73 HydrophobicContact CD2-CD1 4.4Å; F21-Y73 HydrophobicContact CE2-CD1 4.07Å; F21-Y73 HydrophobicContact CE2-CE1 4.39Å; A69-Y73 WeakPolarHBondContact O-CA 3.49Å; A69-Y73 WeakPolarHBondContact O-CB 3.5Å; A69-Y73 PolarHBondContact O-N 3.41Å; D71-Y73 VanDerWaalsContact C-N 3.33Å; D71-Y73 PolarHBondContact O-N 2.63Å; Y73-N77 VanDerWaalsContact CD2-ND2 3.31Å; Y73-N77 WeakPolarHBondContact CD2-ND2 3.35Å; Y73-N77 WeakPolarHBondContact CE2-ND2 3.41Å; Y73-N77 VanDerWaalsContact O-CB 3.23Å; Y73-N77 WeakPolarHBondContact O-CB 3.17Å; Y73-N77 PolarHBondContact O-N 2.64Å; Y73-N77 PolarHBondContact O-ND2 2.79Å; Y73-N77 VanDerWaalsContact O-ND2 3.15Å
74C98.1Very high95.1Very high0 Ų069.1 Ų69.10%036%0.356CS..Iπ-helixtrans-68.4-58.5-171.7-63.70000113C10 F12 V19 A69 V70 H76 N77 Y78C10-C74 HydrophobicContact CB-CB 3.63Å; C10-C74 WeakPolarHBondContact CB-SG 3.43Å; C10-C74 WeakPolarHBondContact SG-CA 3.41Å; C10-C74 WeakPolarHBondContact SG-CB 3.4Å; C10-C74 CovalentContact SG-SG 2.03Å; C10-C74 PolarHBondContact SG-SG 3.47Å; F12-C74 HydrophobicContact CE1-CB 4.21Å; F12-C74 HydrophobicContact CZ-CB 4.01Å; F12-C74 WeakPolarHBondContact CZ-O 3.01Å; V19-C74 HydrophobicContact CG1-CB 3.52Å; A69-C74 PolarHBondContact O-N 2.86Å; V70-C74 WeakPolarHBondContact O-CB 3.35Å; C74-H76 VanDerWaalsContact C-N 3.34Å; C74-H76 PolarHBondContact O-N 2.9Å; C74-N77 PolarHBondContact O-N 3.45Å; C74-Y78 WeakPolarHBondContact O-CB 3.49Å; C74-Y78 PolarHBondContact O-N 2.95Å
75R97.6Very high94.3Very high74 Ų7469 Ų6928%0.27936%0.362SS..Iπ-helixtrans-64.6-39.7179.9-71-171.1-176.194.82.7112.1T16 V19 V70 D71 Y78 G79T16-R75 HydrophobicContact CG2-CG 4.48Å; T16-R75 PolarHBondContact O-NE 2.95Å; V19-R75 HydrophobicContact CG2-CG 3.93Å; V70-R75 VanDerWaalsContact CG1-NH1 3.33Å; V70-R75 PolarHBondContact O-N 3.38Å; D71-R75 VanDerWaalsContact CG-NH1 3.3Å; D71-R75 WeakPolarHBondContact OD1-CD 3.43Å; D71-R75 IonicContact OD1-CZ 2.63Å; D71-R75 IonicContact OD1-NE 3.57Å; D71-R75 IonicContact OD1-NH1 3.83Å; D71-R75 PolarHBondContact OD1-NH1 3.41Å; D71-R75 IonicContact OD2-NH1 2.86Å; R75-Y78 PolarHBondContact O-N 3Å; R75-G79 PolarHBondContact O-N 3.03Å
76H96.3Very high93.4Very high114 Ų11468.7 Ų68.753%0.52836%0.363SS..Hα-helixtrans-55.1-55.3174.818071.5000111.8D71 T72 C74 Y78 G79 V80D71-H76 PolarHBondContact O-N 3.21Å; T72-H76 VanDerWaalsContact O-CB 3.29Å; T72-H76 WeakPolarHBondContact O-CB 3.44Å; C74-H76 VanDerWaalsContact C-N 3.34Å; C74-H76 PolarHBondContact O-N 2.9Å; H76-Y78 VanDerWaalsContact C-N 3.33Å; H76-Y78 PolarHBondContact O-N 2.93Å; H76-G79 PolarHBondContact O-N 3.08Å; H76-V80 WeakPolarHBondContact O-CG2 3.4Å; H76-V80 PolarHBondContact O-N 3.21Å; H76-V80 VanDerWaalsContact O-N 3.11Å
77N95.6Very high92.1Very high61 Ų6171.2 Ų71.233%0.32638%0.377SS..Hα-helixtrans-66.8-35.2-178.4-71.4-25.8000112.4Y73 C74 V80 V81Y73-N77 VanDerWaalsContact CD2-ND2 3.31Å; Y73-N77 WeakPolarHBondContact CD2-ND2 3.35Å; Y73-N77 WeakPolarHBondContact CE2-ND2 3.41Å; Y73-N77 VanDerWaalsContact O-CB 3.23Å; Y73-N77 WeakPolarHBondContact O-CB 3.17Å; Y73-N77 PolarHBondContact O-N 2.64Å; Y73-N77 PolarHBondContact O-ND2 2.79Å; Y73-N77 VanDerWaalsContact O-ND2 3.15Å; C74-N77 PolarHBondContact O-N 3.45Å; N77-V80 PolarHBondContact O-N 2.88Å; N77-V81 WeakPolarHBondContact O-CB 3.2Å; N77-V81 WeakPolarHBondContact O-CG2 3.49Å; N77-V81 PolarHBondContact O-N 2.94Å
78Y94.6Very high90.3Very high44 Ų4476 Ų7617%0.17340%0.395CS..Hα-helixtrans-57.9-51173.5-168.9-85.7000110.8F12 T16 C74 R75 H76 V80 V81 E82 V86F12-Y78 HydrophobicContact CB-CE2 4.36Å; F12-Y78 AromaticContact CD1-CD2 3.59Å; F12-Y78 HydrophobicContact CD1-CD2 3.59Å; F12-Y78 HydrophobicContact CD1-CE2 4.11Å; F12-Y78 HydrophobicContact CD1-CG 4.13Å; F12-Y78 AromaticContact CD2-CD2 3.94Å; F12-Y78 HydrophobicContact CD2-CD2 3.94Å; F12-Y78 HydrophobicContact CD2-CE2 4.33Å; F12-Y78 AromaticContact CE1-CD2 3.59Å; F12-Y78 HydrophobicContact CE1-CD2 3.59Å; F12-Y78 AromaticContact CE1-CG 3.84Å; F12-Y78 HydrophobicContact CE1-CG 3.84Å; F12-Y78 AromaticContact CE2-CD2 3.91Å; F12-Y78 HydrophobicContact CE2-CD2 3.91Å; F12-Y78 AromaticContact CG-CD2 3.78Å; F12-Y78 HydrophobicContact CG-CD2 3.78Å; F12-Y78 HydrophobicContact CG-CE2 4.01Å; F12-Y78 AromaticContact CZ-CD2 3.75Å; F12-Y78 HydrophobicContact CZ-CD2 3.75Å; F12-Y78 HydrophobicContact CZ-CG 4.19Å; T16-Y78 HydrophobicContact CG2-CD1 3.36Å; T16-Y78 HydrophobicContact CG2-CD2 4.43Å; T16-Y78 HydrophobicContact CG2-CE1 3.77Å; T16-Y78 HydrophobicContact CG2-CG 3.72Å; C74-Y78 WeakPolarHBondContact O-CB 3.49Å; C74-Y78 PolarHBondContact O-N 2.95Å; R75-Y78 PolarHBondContact O-N 3Å; H76-Y78 VanDerWaalsContact C-N 3.33Å; H76-Y78 PolarHBondContact O-N 2.93Å; Y78-V80 VanDerWaalsContact C-N 3.28Å; Y78-V80 PolarHBondContact O-N 3.3Å; Y78-V81 PolarHBondContact O-N 2.85Å; Y78-V81 VanDerWaalsContact O-N 3.17Å; Y78-E82 HydrophobicContact CD1-CB 4.05Å; Y78-E82 HydrophobicContact CE1-CB 3.9Å; Y78-E82 WeakPolarHBondContact CE1-OE2 3.42Å; Y78-E82 WeakPolarHBondContact O-CA 3.48Å; Y78-E82 WeakPolarHBondContact O-CB 3.46Å; Y78-E82 WeakPolarHBondContact O-CG 3.41Å; Y78-E82 PolarHBondContact O-N 3.29Å; Y78-V86 HydrophobicContact CE2-CG2 4.27Å
79G93.4Very high88.2Confident44 Ų4489.1 Ų89.145%0.45444%0.436SS..Hα-helixtrans-61.9-32.2178.800000114R75 H76R75-G79 PolarHBondContact O-N 3.03Å; H76-G79 PolarHBondContact O-N 3.08Å
80V93.4Very high87.7Confident81 Ų8193.4 Ų93.449%0.49146%0.457SS..Hα-helixtrans-70.5-37.7176.3172.40000111.9H76 N77 Y78H76-V80 WeakPolarHBondContact O-CG2 3.4Å; H76-V80 PolarHBondContact O-N 3.21Å; H76-V80 VanDerWaalsContact O-N 3.11Å; N77-V80 PolarHBondContact O-N 2.88Å; Y78-V80 VanDerWaalsContact C-N 3.28Å; Y78-V80 PolarHBondContact O-N 3.3Å
81V90.2Very high87.2Confident62 Ų6297.4 Ų97.438%0.37648%0.476SS..Hα-helixtrans-103.7-20.5-167.8-174.80000113N77 Y78 S83 F84 T85N77-V81 WeakPolarHBondContact O-CB 3.2Å; N77-V81 WeakPolarHBondContact O-CG2 3.49Å; N77-V81 PolarHBondContact O-N 2.94Å; Y78-V81 PolarHBondContact O-N 2.85Å; Y78-V81 VanDerWaalsContact O-N 3.17Å; V81-S83 PolarHBondContact O-N 3.24Å; V81-S83 VanDerWaalsContact O-N 3.11Å; V81-F84 PolarHBondContact O-N 2.93Å; V81-T85 HydrophobicContact CG1-CG2 3.48Å; V81-T85 VanDerWaalsContact CG1-CG2 3.48Å; V81-T85 PolarHBondContact O-N 3.43Å; V81-T85 VanDerWaalsContact O-N 3.11Å; V81-T85 PolarHBondContact O-OG1 2.94Å; V81-T85 VanDerWaalsContact O-OG1 3.14Å
82E88.6Confident86.5Confident62 Ų6297.6 Ų97.629%0.2947%0.474SS..Hα-helixtrans-55.8-34.9-17361.3164.7-159.600113.8Y78 F84 T85 V86 Q87Y78-E82 HydrophobicContact CD1-CB 4.05Å; Y78-E82 HydrophobicContact CE1-CB 3.9Å; Y78-E82 WeakPolarHBondContact CE1-OE2 3.42Å; Y78-E82 WeakPolarHBondContact O-CA 3.48Å; Y78-E82 WeakPolarHBondContact O-CB 3.46Å; Y78-E82 WeakPolarHBondContact O-CG 3.41Å; Y78-E82 PolarHBondContact O-N 3.29Å; E82-F84 PolarHBondContact O-N 2.89Å; E82-T85 PolarHBondContact O-N 3.32Å; E82-V86 HydrophobicContact CB-CB 4.32Å; E82-V86 HydrophobicContact CB-CG2 4.36Å; E82-V86 PolarHBondContact O-N 3.44Å; E82-Q87 PolarHBondContact O-N 3.3Å; E82-Q87 PolarHBondContact OE1-NE2 3.49Å
83S84.3Confident85.9Confident58 Ų5897.7 Ų97.741%0.40647%0.467SS..Hα-helixtrans-62.4-27.4178.7600000112.3V81V81-S83 PolarHBondContact O-N 3.24Å; V81-S83 VanDerWaalsContact O-N 3.11Å
84F80.1Confident85.1Confident140 Ų14097.3 Ų97.361%0.61447%0.471SS*.Hα-helixtrans-97.4-31.3-179.9-59.3-76.1000113.7V81 E82 R88V81-F84 PolarHBondContact O-N 2.93Å; E82-F84 PolarHBondContact O-N 2.89Å; F84-R88 WeakPolarHBondContact O-CD 3.48Å; F84-R88 WeakPolarHBondContact O-CG 3.2Å; F84-R88 PolarHBondContact O-NE 2.87Å
85T81.9Confident84.2Confident96 Ų96103.7 Ų103.759%0.58950%0.502SS*.Hα-helixtrans-110.9-28.3-169.456.20000114.8V81 E82V81-T85 HydrophobicContact CG1-CG2 3.48Å; V81-T85 VanDerWaalsContact CG1-CG2 3.48Å; V81-T85 PolarHBondContact O-N 3.43Å; V81-T85 VanDerWaalsContact O-N 3.11Å; V81-T85 PolarHBondContact O-OG1 2.94Å; V81-T85 VanDerWaalsContact O-OG1 3.14Å; E82-T85 PolarHBondContact O-N 3.32Å
86V80.9Confident83.3Confident82 Ų82105.9 Ų105.950%0.49752%0.518SS..THydrogen-bonded Turntrans-108.5-43.2-175.2-178.60000111Y78 E82 R88Y78-V86 HydrophobicContact CE2-CG2 4.27Å; E82-V86 HydrophobicContact CB-CB 4.32Å; E82-V86 HydrophobicContact CB-CG2 4.36Å; E82-V86 PolarHBondContact O-N 3.44Å; V86-R88 PolarHBondContact O-N 2.92Å
87Q71.6Confident82.3Confident116 Ų116105.2 Ų105.254%0.54252%0.517SS..SBendtrans-81.56.1-177.2-62.3178.65.900113.8E82 R89E82-Q87 PolarHBondContact O-N 3.3Å; E82-Q87 PolarHBondContact OE1-NE2 3.49Å; Q87-R89 PolarHBondContact O-N 3.36Å
88R59.6Low81.2Confident207 Ų207108.9 Ų108.978%0.78153%0.533SS*.  trans-64.996.2173.5-92.6-176.9171.8179.5-1.3110.3F84 V86F84-R88 WeakPolarHBondContact O-CD 3.48Å; F84-R88 WeakPolarHBondContact O-CG 3.2Å; F84-R88 PolarHBondContact O-NE 2.87Å; V86-R88 PolarHBondContact O-N 2.92Å
89R55.5Low80Confident315 Ų315114.8 Ų114.8100%1.18957%0.566SS**  trans-92.90153.7-80.7-176173.6-173.5-0.9109.7Q87Q87-R89 PolarHBondContact O-N 3.36Å

Retrieved 89 of 89 residues in 91.3 ms (Link to these results)

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