A0A090KNI9_HUMAN Loading...

MHC class II antigen

AlphaFold DB (Q8SNB5), UniProt , Accession A0A090KNI9, Species HUMAN (Homo sapiens, Human), Gene HLA-DRB1, Length 89 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1R83.9Confident95.8Very high278 Ų278100.4 Ų100.4100%1.04946%0.457SS*.  0122.30176.9179.3-179.6-177.71.4107.6H28R1-H28 PolarHBondContact O-CE1 3.08Å
2F90.6Very high95.8Very high157 Ų15797.9 Ų97.969%0.68945%0.445SS*.  trans-76.4147.1178.3-62.3-75.6000111.8Y27 H28F2-Y27 HydrophobicContact CD1-CE2 4.21Å; F2-Y27 AromaticContact CD1-CZ 3.72Å; F2-Y27 WeakPolarHBondContact CD1-OH 3.05Å; F2-Y27 WeakPolarHBondContact CE1-OH 3.25Å; F2-H28 WeakPolarHBondContact CA-NE2 3.49Å; F2-H28 AromaticContact CD1-NE2 3.25Å; F2-H28 WeakPolarHBondContact CD1-NE2 2.93Å
3L96.5Very high95.7Very high77 Ų7798.2 Ų98.240%0.40345%0.445SS..  trans-138.2123175179.867.7000109.8Q5 H28L3-Q5 HydrophobicContact CD1-CG 4.36Å; L3-Q5 HydrophobicContact CD2-CG 4.26Å; L3-Q5 HydrophobicContact CG-CG 4.09Å; L3-H28 PolarHBondContact O-N 2.91Å
4E96.7Very high95.4Very high126 Ų126101 Ų10159%0.58947%0.466SS*.EExtended strand (participates in β ladder)trans-109.4139.2169-176.3-176-143.200108.9F26E4-F26 WeakPolarHBondContact CA-O 3.39Å
5Q98.1Very high95Very high79 Ų7996.4 Ų96.437%0.36946%0.457SS..EExtended strand (participates in β ladder)trans-134.6144.3174.1-59.6179.4-3300110.3L3 F26L3-Q5 HydrophobicContact CD1-CG 4.36Å; L3-Q5 HydrophobicContact CD2-CG 4.26Å; L3-Q5 HydrophobicContact CG-CG 4.09Å; Q5-F26 HydrophobicContact CB-CB 4.22Å; Q5-F26 HydrophobicContact CB-CD2 4.44Å; Q5-F26 PolarHBondContact N-O 3.17Å; Q5-F26 PolarHBondContact O-N 3.33Å
6V97.9Very high94.9Very high64 Ų6493.9 Ų93.939%0.38845%0.45SS..EExtended strand (participates in β ladder)trans-123.5137.8173.7-175.20000108.3R24 Y25V6-R24 CarbonylContact C-O 3.56Å; V6-R24 WeakPolarHBondContact CA-O 3.23Å; V6-Y25 HydrophobicContact CB-CD1 4.46Å; V6-Y25 HydrophobicContact CB-CE1 4.47Å; V6-Y25 HydrophobicContact CG1-CD1 4.16Å; V6-Y25 HydrophobicContact CG1-CE1 3.83Å; V6-Y25 HydrophobicContact CG2-CD1 3.62Å; V6-Y25 HydrophobicContact CG2-CE1 3.77Å; V6-Y25 HydrophobicContact CG2-CG 4.49Å
7K98.3Very high94.8Very high93 Ų9397.2 Ų97.240%0.40446%0.464SS..EExtended strand (participates in β ladder)trans-128.3124.2175.7-64-172.3178-177.40110.4E9 R24 F26K7-E9 HydrophobicContact CB-CG 4.03Å; K7-E9 WeakPolarHBondContact CD-OE1 3.31Å; K7-R24 HydrophobicContact CB-CB 4.46Å; K7-R24 PolarHBondContact N-O 3.36Å; K7-R24 PolarHBondContact O-N 2.84Å; K7-F26 HydrophobicContact CB-CE2 4.21Å; K7-F26 HydrophobicContact CD-CE2 3.86Å; K7-F26 HydrophobicContact CD-CZ 4.22Å; K7-F26 HydrophobicContact CG-CE2 3.89Å
8H97.9Very high94.9Very high91 Ų9199.7 Ų99.742%0.42147%0.469SS..EExtended strand (participates in β ladder)trans-104.198.7168.4-53.6-53.7000107.8F21 L22 D23 Y73H8-F21 HydrophobicContact CB-CE2 4.14Å; H8-L22 CarbonylContact C-O 3.55Å; H8-L22 WeakPolarHBondContact CA-O 3.44Å; H8-D23 IonicContact CE1-OD1 2.94Å; H8-D23 PolarHBondContact CE1-OD1 2.82Å; H8-D23 IonicContact ND1-OD1 2.73Å; H8-D23 PolarHBondContact ND1-OD1 2.98Å; H8-Y73 HydrophobicContact CB-CE1 4.38Å
9E98.4Very high95Very high40 Ų4094.9 Ų94.919%0.18745%0.447CS..EExtended strand (participates in β ladder)trans-104.9140.6-174.7-52.6175.1-165.500110.4K7 H11 F21 L22 R24K7-E9 HydrophobicContact CB-CG 4.03Å; K7-E9 WeakPolarHBondContact CD-OE1 3.31Å; E9-H11 IonicContact OE2-CE1 2.87Å; E9-H11 IonicContact OE2-NE2 3.98Å; E9-H11 PolarHBondContact OE2-NE2 3.18Å; E9-F21 WeakPolarHBondContact O-CA 3.37Å; E9-L22 HydrophobicContact CB-CB 4.24Å; E9-L22 PolarHBondContact N-O 3.31Å; E9-L22 PolarHBondContact O-N 2.93Å; E9-R24 IonicContact OE1-CZ 3.39Å; E9-R24 IonicContact OE1-NH1 2.92Å; E9-R24 PolarHBondContact OE1-NH1 3.02Å; E9-R24 IonicContact OE2-NH1 2.67Å
10C98.1Very high95.2Very high32 Ų3293.7 Ų93.722%0.21644%0.437CS..EExtended strand (participates in β ladder)trans-121.2117.5172.7-63.20000108.5F12 R20 C74C10-F12 HydrophobicContact CB-CD2 4.3Å; C10-F12 HydrophobicContact CB-CE2 3.41Å; C10-F12 VanDerWaalsContact CB-CE2 3.41Å; C10-F12 HydrophobicContact CB-CZ 3.56Å; C10-F12 WeakPolarHBondContact O-CD2 3.42Å; C10-F12 WeakPolarHBondContact O-CE2 3.36Å; C10-R20 WeakPolarHBondContact CA-O 3.27Å; C10-C74 HydrophobicContact CB-CB 3.61Å; C10-C74 WeakPolarHBondContact CB-SG 3.46Å; C10-C74 WeakPolarHBondContact SG-CA 3.48Å; C10-C74 WeakPolarHBondContact SG-CB 3.31Å; C10-C74 CovalentContact SG-SG 2.03Å; C10-C74 PolarHBondContact SG-SG 2.94Å
11H97.4Very high95.4Very high67 Ų6789.4 Ų89.431%0.3142%0.418SS..EExtended strand (participates in β ladder)trans-104.5120.4179.1-65.1-164.2000108.2E9 F13 V19 R20E9-H11 IonicContact OE2-CE1 2.87Å; E9-H11 IonicContact OE2-NE2 3.98Å; E9-H11 PolarHBondContact OE2-NE2 3.18Å; H11-F13 HydrophobicContact CB-CE2 4.06Å; H11-F13 HydrophobicContact CB-CZ 4.41Å; H11-V19 WeakPolarHBondContact O-CA 3.45Å; H11-R20 HydrophobicContact CB-CB 4.36Å; H11-R20 PolarHBondContact N-O 2.96Å; H11-R20 PolarHBondContact O-N 3.26Å
12F95.6Very high96.1Very high71 Ų7176.6 Ų76.631%0.31137%0.37SS..EExtended strand (participates in β ladder)trans-109.2130.3-173.1-63.1-85.8000110.1C10 G15 T16 V19 C74 Y78C10-F12 HydrophobicContact CB-CD2 4.3Å; C10-F12 HydrophobicContact CB-CE2 3.41Å; C10-F12 VanDerWaalsContact CB-CE2 3.41Å; C10-F12 HydrophobicContact CB-CZ 3.56Å; C10-F12 WeakPolarHBondContact O-CD2 3.42Å; C10-F12 WeakPolarHBondContact O-CE2 3.36Å; F12-G15 WeakPolarHBondContact CB-O 3.36Å; F12-T16 HydrophobicContact CD1-CG2 4.39Å; F12-V19 HydrophobicContact CD1-CB 4.46Å; 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 4.03Å; F12-V19 HydrophobicContact CZ-CG1 4.47Å; F12-C74 HydrophobicContact CE1-CB 4.22Å; F12-C74 HydrophobicContact CZ-CB 4.01Å; F12-C74 WeakPolarHBondContact CZ-O 3.39Å; F12-Y78 HydrophobicContact CB-CE2 4.42Å; F12-Y78 AromaticContact CD1-CD2 3.59Å; F12-Y78 HydrophobicContact CD1-CD2 3.59Å; F12-Y78 HydrophobicContact CD1-CE2 4.14Å; F12-Y78 HydrophobicContact CD1-CG 4.14Å; F12-Y78 HydrophobicContact CD2-CD2 4.02Å; F12-Y78 HydrophobicContact CD2-CE2 4.46Å; F12-Y78 AromaticContact CE1-CD2 3.61Å; F12-Y78 HydrophobicContact CE1-CD2 3.61Å; F12-Y78 AromaticContact CE1-CG 3.87Å; F12-Y78 HydrophobicContact CE1-CG 3.87Å; F12-Y78 HydrophobicContact CE2-CD2 4.02Å; F12-Y78 AromaticContact CG-CD2 3.82Å; F12-Y78 HydrophobicContact CG-CD2 3.82Å; F12-Y78 HydrophobicContact CG-CE2 4.1Å; F12-Y78 AromaticContact CZ-CD2 3.82Å; F12-Y78 HydrophobicContact CZ-CD2 3.82Å; F12-Y78 HydrophobicContact CZ-CG 4.25Å
13F94.5Very high96.5Very high101 Ų10169.1 Ų69.144%0.44334%0.337SS..EExtended strand (participates in β ladder)trans-124.4129.1176.8-56.4-89.7000109.1H11 R18H11-F13 HydrophobicContact CB-CE2 4.06Å; H11-F13 HydrophobicContact CB-CZ 4.41Å; F13-R18 HydrophobicContact CB-CB 4.24Å; F13-R18 HydrophobicContact CD2-CG 4.3Å; F13-R18 PolarHBondContact N-O 3.38Å; F13-R18 PolarHBondContact O-N 3.35Å
14N91.8Very high96.6Very high138 Ų13867.8 Ų67.874%0.73833%0.327SS*.THydrogen-bonded Turntrans49.458.9-174.9-61.7-15.3000112.1T16 E17N14-T16 PolarHBondContact O-N 2.94Å; N14-E17 HydrophobicContact CB-CB 4.31Å; N14-E17 WeakPolarHBondContact CB-OE2 3.37Å; N14-E17 PolarHBondContact ND2-OE2 3.36Å; N14-E17 WeakPolarHBondContact O-CB 3.37Å; N14-E17 PolarHBondContact O-N 2.87Å
15G88.6Confident96.6Very high32 Ų3263 Ų6333%0.3330%0.304SS..THydrogen-bonded Turntrans69-124.3-171.900000110.9F12F12-G15 WeakPolarHBondContact CB-O 3.36Å
16T93.8Very high96.7Very high57 Ų5760 Ų6035%0.3529%0.289SS..THydrogen-bonded Turntrans-104.911.4179.759.20000113.9F12 N14 R75 Y78F12-T16 HydrophobicContact CD1-CG2 4.39Å; N14-T16 PolarHBondContact O-N 2.94Å; T16-R75 HydrophobicContact CG2-CG 4.4Å; T16-R75 PolarHBondContact O-NE 2.84Å; T16-R75 VanDerWaalsContact O-NE 3.17Å; T16-R75 PolarHBondContact O-NH2 3.22Å; T16-Y78 HydrophobicContact CG2-CD1 3.36Å; T16-Y78 HydrophobicContact CG2-CD2 4.43Å; T16-Y78 HydrophobicContact CG2-CE1 3.8Å; T16-Y78 HydrophobicContact CG2-CG 3.72Å
17E93.1Very high96.6Very high149 Ų14961.2 Ų61.270%0.69629%0.287SS*.THydrogen-bonded Turntrans-57.8-53.6179.1-173.8-176.5-177.500110.2N14N14-E17 HydrophobicContact CB-CB 4.31Å; N14-E17 WeakPolarHBondContact CB-OE2 3.37Å; N14-E17 PolarHBondContact ND2-OE2 3.36Å; N14-E17 WeakPolarHBondContact O-CB 3.37Å; N14-E17 PolarHBondContact O-N 2.87Å
18R96.7Very high96.5Very high143 Ų14361 Ų6154%0.5429%0.288SS..EExtended strand (participates in β ladder)trans-120.2125.1170.8-178.1179.1179-176.9-0.8110.2F13 D38F13-R18 HydrophobicContact CB-CB 4.24Å; F13-R18 HydrophobicContact CD2-CG 4.3Å; F13-R18 PolarHBondContact N-O 3.38Å; F13-R18 PolarHBondContact O-N 3.35Å; R18-D38 IonicContact NH2-OD2 2.97Å; R18-D38 PolarHBondContact NH2-OD2 2.9Å
19V98Very high96.3Very high9 Ų964.3 Ų64.36%0.05530%0.303CS..EExtended strand (participates in β ladder)trans-128.4131-179.7-1760000108.6H11 F12 V70 C74 R75H11-V19 WeakPolarHBondContact O-CA 3.45Å; F12-V19 HydrophobicContact CD1-CB 4.46Å; 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 4.03Å; F12-V19 HydrophobicContact CZ-CG1 4.47Å; V19-V70 HydrophobicContact CB-CG1 3.72Å; V19-V70 HydrophobicContact CG1-CG1 3.9Å; V19-V70 WeakPolarHBondContact O-CG1 3.33Å; V19-C74 HydrophobicContact CG1-CB 3.51Å; V19-R75 HydrophobicContact CG2-CG 3.92Å
20R98.4Very high96.3Very high69 Ų6967.8 Ų67.826%0.2632%0.32SS..EExtended strand (participates in β ladder)trans-117.5128.3175.2-179.9180179.3-164.82.6109.7C10 H11 D36 S37C10-R20 WeakPolarHBondContact CA-O 3.27Å; H11-R20 HydrophobicContact CB-CB 4.36Å; H11-R20 PolarHBondContact N-O 2.96Å; H11-R20 PolarHBondContact O-N 3.26Å; R20-D36 IonicContact CZ-OD1 2.64Å; R20-D36 IonicContact CZ-OD2 3.69Å; R20-D36 IonicContact NE-OD1 3.91Å; R20-D36 PolarHBondContact NE-OD1 2.87Å; R20-D36 IonicContact NE-OD2 3.82Å; R20-D36 PolarHBondContact NE-OD2 2.84Å; R20-D36 IonicContact NH2-OD1 3.85Å; R20-D36 IonicContact NH2-OD2 3.78Å; R20-D36 PolarHBondContact NH2-OD2 3.12Å; R20-S37 WeakPolarHBondContact CA-OG 3.43Å
21F98.7Very high96.3Very high5 Ų567.2 Ų67.22%0.02231%0.314CS..EExtended strand (participates in β ladder)trans-102.9131.8175.8174.2-110.1000110.2H8 E9 D23 F35 S37 A69 V70 Y73H8-F21 HydrophobicContact CB-CE2 4.14Å; E9-F21 WeakPolarHBondContact O-CA 3.37Å; F21-D23 HydrophobicContact CE1-CB 3.91Å; F21-D23 HydrophobicContact CZ-CB 3.95Å; F21-F35 AromaticContact CD1-CD1 3.99Å; F21-F35 HydrophobicContact CD1-CD1 3.99Å; F21-F35 HydrophobicContact CD1-CE1 4.03Å; F21-F35 HydrophobicContact CE1-CD1 4.19Å; F21-F35 HydrophobicContact CE1-CE1 4.5Å; F21-S37 PolarHBondContact N-OG 2.94Å; F21-S37 PolarHBondContact O-N 3.01Å; F21-S37 PolarHBondContact O-OG 2.84Å; F21-A69 HydrophobicContact CD1-CB 3.66Å; F21-A69 HydrophobicContact CD2-CB 4.29Å; F21-A69 HydrophobicContact CE1-CB 3.65Å; F21-A69 HydrophobicContact CE2-CB 4.27Å; F21-A69 HydrophobicContact CG-CB 3.98Å; F21-A69 HydrophobicContact CZ-CB 3.96Å; F21-V70 HydrophobicContact CB-CG2 4Å; F21-Y73 HydrophobicContact CD2-CD1 4.44Å; F21-Y73 HydrophobicContact CE2-CD1 4.14Å; F21-Y73 HydrophobicContact CE2-CE1 4.49Å
22L98.7Very high96.3Very high9 Ų965.2 Ų65.25%0.04730%0.303CS..EExtended strand (participates in β ladder)trans-122.4129.1174-61.3172.7000109.6H8 E9 R24 F35 D36H8-L22 CarbonylContact C-O 3.55Å; H8-L22 WeakPolarHBondContact CA-O 3.44Å; E9-L22 HydrophobicContact CB-CB 4.24Å; E9-L22 PolarHBondContact N-O 3.31Å; E9-L22 PolarHBondContact O-N 2.93Å; L22-R24 HydrophobicContact CB-CG 4.04Å; L22-F35 WeakPolarHBondContact CA-O 3.46Å; L22-D36 HydrophobicContact CD2-CB 3.85Å
23D98.6Very high96.5Very high0 Ų061.8 Ų61.80%029%0.289CS..EExtended strand (participates in β ladder)trans-115.1106.8170.1-176.825.9000108.5H8 F21 Y25 R34 F35 Y42 R66H8-D23 IonicContact CE1-OD1 2.94Å; H8-D23 PolarHBondContact CE1-OD1 2.82Å; H8-D23 IonicContact ND1-OD1 2.73Å; H8-D23 PolarHBondContact ND1-OD1 2.98Å; F21-D23 HydrophobicContact CE1-CB 3.91Å; F21-D23 HydrophobicContact CZ-CB 3.95Å; D23-Y25 WeakPolarHBondContact OD1-CE2 3.5Å; D23-Y25 PolarHBondContact OD1-OH 2.71Å; D23-Y25 WeakPolarHBondContact OD2-CE2 3.35Å; D23-Y25 PolarHBondContact OD2-OH 2.73Å; D23-R34 CarbonylContact O-C 3.59Å; D23-R34 VanDerWaalsContact O-CA 3.23Å; D23-R34 WeakPolarHBondContact O-CA 3.38Å; D23-F35 HydrophobicContact CB-CB 4.09Å; D23-F35 PolarHBondContact N-O 3.21Å; D23-F35 PolarHBondContact O-N 3.44Å; D23-Y42 PolarHBondContact OD2-OH 2.89Å; D23-R66 IonicContact OD2-CZ 3.45Å; D23-R66 IonicContact OD2-NE 3.45Å; D23-R66 PolarHBondContact OD2-NE 3.34Å; D23-R66 VanDerWaalsContact OD2-NE 3.15Å
24R98.7Very high96.7Very high48 Ų4860.4 Ų60.418%0.18128%0.281CS..EExtended strand (participates in β ladder)trans-123.3134.2-165.2-57.5172.169.1-163.94.1111.2V6 K7 E9 L22 F26 E31 R34V6-R24 CarbonylContact C-O 3.56Å; V6-R24 WeakPolarHBondContact CA-O 3.23Å; K7-R24 HydrophobicContact CB-CB 4.46Å; K7-R24 PolarHBondContact N-O 3.36Å; K7-R24 PolarHBondContact O-N 2.84Å; E9-R24 IonicContact OE1-CZ 3.39Å; E9-R24 IonicContact OE1-NH1 2.92Å; E9-R24 PolarHBondContact OE1-NH1 3.02Å; E9-R24 IonicContact OE2-NH1 2.67Å; L22-R24 HydrophobicContact CB-CG 4.04Å; R24-F26 HydrophobicContact CB-CE2 3.58Å; R24-F26 HydrophobicContact CB-CZ 3.95Å; R24-E31 WeakPolarHBondContact CG-OE1 3.3Å; R24-E31 IonicContact CZ-OE1 2.63Å; R24-E31 IonicContact CZ-OE2 3.03Å; R24-E31 VanDerWaalsContact NE-CD 3.29Å; R24-E31 IonicContact NE-OE1 3.69Å; R24-E31 PolarHBondContact NE-OE1 2.66Å; R24-E31 IonicContact NE-OE2 2.62Å; R24-E31 PolarHBondContact NE-OE2 2.89Å; R24-E31 IonicContact NH2-OE1 2.71Å; R24-E31 IonicContact NH2-OE2 3.06Å; R24-E31 PolarHBondContact NH2-OE2 3.32Å; R24-R34 HydrophobicContact CG-CB 4.22Å
25Y98.5Very high97Very high27 Ų2753.9 Ų53.911%0.10625%0.245CC..EExtended strand (participates in β ladder)trans-119.7133.5-177.9-60.2-106.5000110.3V6 D23 E31 Y32 V33 Y42 W56V6-Y25 HydrophobicContact CB-CD1 4.46Å; V6-Y25 HydrophobicContact CB-CE1 4.47Å; V6-Y25 HydrophobicContact CG1-CD1 4.16Å; V6-Y25 HydrophobicContact CG1-CE1 3.83Å; V6-Y25 HydrophobicContact CG2-CD1 3.62Å; V6-Y25 HydrophobicContact CG2-CE1 3.77Å; V6-Y25 HydrophobicContact CG2-CG 4.49Å; D23-Y25 WeakPolarHBondContact OD1-CE2 3.5Å; D23-Y25 PolarHBondContact OD1-OH 2.71Å; D23-Y25 WeakPolarHBondContact OD2-CE2 3.35Å; D23-Y25 PolarHBondContact OD2-OH 2.73Å; Y25-E31 CarbonylContact O-C 3.53Å; Y25-E31 WeakPolarHBondContact O-CA 3.3Å; Y25-Y32 VanDerWaalsContact CB-CZ 3.48Å; Y25-Y32 VanDerWaalsContact O-CD1 3.31Å; Y25-Y32 WeakPolarHBondContact O-CD1 3.43Å; Y25-Y32 PolarHBondContact O-N 3.1Å; Y25-V33 HydrophobicContact CD2-CG1 3.81Å; Y25-V33 HydrophobicContact CG-CG1 3.95Å; Y25-V33 PolarHBondContact N-O 3.22Å; Y25-Y42 HydrophobicContact CE2-CE1 4.06Å; Y25-W56 AromaticContact CD1-CH2 3.87Å; Y25-W56 HydrophobicContact CD1-CH2 3.87Å; Y25-W56 AromaticContact CD2-CH2 3.9Å; Y25-W56 HydrophobicContact CD2-CH2 3.9Å; Y25-W56 AromaticContact CD2-CZ3 3.81Å; Y25-W56 HydrophobicContact CD2-CZ3 3.81Å; Y25-W56 AromaticContact CE1-CH2 3.67Å; Y25-W56 HydrophobicContact CE1-CH2 3.67Å; Y25-W56 HydrophobicContact CE1-CZ2 4.39Å; Y25-W56 HydrophobicContact CE1-CZ3 4.43Å; Y25-W56 AromaticContact CE2-CH2 3.73Å; Y25-W56 HydrophobicContact CE2-CH2 3.73Å; Y25-W56 AromaticContact CE2-CZ3 3.64Å; Y25-W56 HydrophobicContact CE2-CZ3 3.64Å; Y25-W56 HydrophobicContact CG-CH2 4.01Å; Y25-W56 HydrophobicContact CG-CZ3 4.33Å; Y25-W56 AromaticContact CZ-CH2 3.63Å; Y25-W56 AromaticContact CZ-CZ3 3.98Å
26F98.4Very high97.5Very high16 Ų1653 Ų537%0.0723%0.233CC..EExtended strand (participates in β ladder)trans-127138.5-174-55.4-102.2000111.2E4 Q5 K7 R24 E30 E31E4-F26 WeakPolarHBondContact CA-O 3.39Å; Q5-F26 HydrophobicContact CB-CB 4.22Å; Q5-F26 HydrophobicContact CB-CD2 4.44Å; Q5-F26 PolarHBondContact N-O 3.17Å; Q5-F26 PolarHBondContact O-N 3.33Å; K7-F26 HydrophobicContact CB-CE2 4.21Å; K7-F26 HydrophobicContact CD-CE2 3.86Å; K7-F26 HydrophobicContact CD-CZ 4.22Å; K7-F26 HydrophobicContact CG-CE2 3.89Å; R24-F26 HydrophobicContact CB-CE2 3.58Å; R24-F26 HydrophobicContact CB-CZ 3.95Å; F26-E30 CarbonylContact C-O 3.46Å; F26-E30 VanDerWaalsContact CA-O 3.23Å; F26-E30 WeakPolarHBondContact CA-O 3.07Å; F26-E31 HydrophobicContact CD1-CB 3.65Å; F26-E31 HydrophobicContact CD1-CG 4.24Å; F26-E31 HydrophobicContact CE1-CB 3.55Å; F26-E31 HydrophobicContact CE1-CG 3.94Å; F26-E31 HydrophobicContact CG-CB 4.48Å; F26-E31 HydrophobicContact CZ-CB 4.3Å; F26-E31 HydrophobicContact CZ-CG 4.19Å
27Y97.2Very high97.7Very high89 Ų8951.6 Ų51.635%0.34923%0.225SC..EExtended strand (participates in β ladder)trans-119118170.2-172.9-107.6000108F2 Q29 E30 L48F2-Y27 HydrophobicContact CD1-CE2 4.21Å; F2-Y27 AromaticContact CD1-CZ 3.72Å; F2-Y27 WeakPolarHBondContact CD1-OH 3.05Å; F2-Y27 WeakPolarHBondContact CE1-OH 3.25Å; Y27-Q29 PolarHBondContact O-N 3.32Å; Y27-E30 PolarHBondContact N-O 2.67Å; Y27-E30 WeakPolarHBondContact O-CB 3.19Å; Y27-E30 PolarHBondContact O-N 3.16Å; Y27-L48 HydrophobicContact CD1-CD2 4.18Å; Y27-L48 HydrophobicContact CG-CD2 4.26Å
28H94.5Very high98Very high88 Ų8848.3 Ų48.341%0.40721%0.213SC..THydrogen-bonded Turntrans51.539-176.3-74.3-80.4000115R1 F2 L3 E30R1-H28 PolarHBondContact O-CE1 3.08Å; F2-H28 WeakPolarHBondContact CA-NE2 3.49Å; F2-H28 AromaticContact CD1-NE2 3.25Å; F2-H28 WeakPolarHBondContact CD1-NE2 2.93Å; L3-H28 PolarHBondContact O-N 2.91Å; H28-E30 PolarHBondContact O-N 2.92Å
29Q94.6Very high98.1Very high161 Ų16145.4 Ų45.475%0.75221%0.211SC*.THydrogen-bonded Turntrans75.9-6.8-176.6-46.1169.515.300115Y27Y27-Q29 PolarHBondContact O-N 3.32Å
30E97.7Very high98.1Very high113 Ų11345.4 Ų45.453%0.52821%0.213SC..EExtended strand (participates in β ladder)trans-84.6117.7172.2-172.6174.2-165.300109.6F26 Y27 H28 Y32 T46F26-E30 CarbonylContact C-O 3.46Å; F26-E30 VanDerWaalsContact CA-O 3.23Å; F26-E30 WeakPolarHBondContact CA-O 3.07Å; Y27-E30 PolarHBondContact N-O 2.67Å; Y27-E30 WeakPolarHBondContact O-CB 3.19Å; Y27-E30 PolarHBondContact O-N 3.16Å; H28-E30 PolarHBondContact O-N 2.92Å; E30-Y32 PolarHBondContact O-N 3.38Å; E30-T46 HydrophobicContact CG-CG2 3.97Å; E30-T46 WeakPolarHBondContact OE1-CG2 3.46Å
31E98.5Very high98.1Very high20 Ų2044.7 Ų44.79%0.09321%0.212CC..EExtended strand (participates in β ladder)trans-70.3119.9174.1-170.4179.6-179.300109.2R24 Y25 F26 R34 V45 T46R24-E31 WeakPolarHBondContact CG-OE1 3.3Å; R24-E31 IonicContact CZ-OE1 2.63Å; R24-E31 IonicContact CZ-OE2 3.03Å; R24-E31 VanDerWaalsContact NE-CD 3.29Å; R24-E31 IonicContact NE-OE1 3.69Å; R24-E31 PolarHBondContact NE-OE1 2.66Å; R24-E31 IonicContact NE-OE2 2.62Å; R24-E31 PolarHBondContact NE-OE2 2.89Å; R24-E31 IonicContact NH2-OE1 2.71Å; R24-E31 IonicContact NH2-OE2 3.06Å; R24-E31 PolarHBondContact NH2-OE2 3.32Å; Y25-E31 CarbonylContact O-C 3.53Å; Y25-E31 WeakPolarHBondContact O-CA 3.3Å; F26-E31 HydrophobicContact CD1-CB 3.65Å; F26-E31 HydrophobicContact CD1-CG 4.24Å; F26-E31 HydrophobicContact CE1-CB 3.55Å; F26-E31 HydrophobicContact CE1-CG 3.94Å; F26-E31 HydrophobicContact CG-CB 4.48Å; F26-E31 HydrophobicContact CZ-CB 4.3Å; F26-E31 HydrophobicContact CZ-CG 4.19Å; E31-R34 WeakPolarHBondContact OE1-CB 3.32Å; E31-R34 IonicContact OE1-CZ 2.77Å; E31-R34 IonicContact OE1-NE 4Å; E31-R34 PolarHBondContact OE1-NE 3.15Å; E31-R34 IonicContact OE1-NH1 3.1Å; E31-R34 IonicContact OE1-NH2 3.15Å; E31-R34 PolarHBondContact OE1-NH2 2.68Å; E31-R34 IonicContact OE2-CZ 3.78Å; E31-R34 IonicContact OE2-NH2 2.89Å; E31-R34 PolarHBondContact OE2-NH2 3.06Å; E31-V45 HydrophobicContact CB-CG1 4.37Å; E31-V45 HydrophobicContact CG-CB 4.44Å; E31-V45 HydrophobicContact CG-CG2 4.02Å; E31-V45 VanDerWaalsContact O-CB 3.3Å; E31-V45 WeakPolarHBondContact O-CB 3.41Å; E31-V45 VanDerWaalsContact O-CG1 3.3Å; E31-V45 WeakPolarHBondContact O-CG1 3.41Å; E31-T46 WeakPolarHBondContact O-CG2 3.28Å
32Y98.6Very high98.1Very high24 Ų2444.5 Ų44.59%0.09421%0.211CC..EExtended strand (participates in β ladder)trans-105.4-29.3-175.866.7-91.7000113.1Y25 E30 V45 T46 L48 G49Y25-Y32 VanDerWaalsContact CB-CZ 3.48Å; Y25-Y32 VanDerWaalsContact O-CD1 3.31Å; Y25-Y32 WeakPolarHBondContact O-CD1 3.43Å; Y25-Y32 PolarHBondContact O-N 3.1Å; E30-Y32 PolarHBondContact O-N 3.38Å; Y32-V45 PolarHBondContact O-N 2.77Å; Y32-T46 PolarHBondContact O-N 2.93Å; Y32-L48 HydrophobicContact CG-CD2 4.25Å; Y32-G49 WeakPolarHBondContact O-CA 3.35Å
33V98.8Very high98.1Very high0 Ų051 Ų510%024%0.235CC..EExtended strand (participates in β ladder)trans-148.5146176.364.20000110.8Y25 Y42 A53 W56Y25-V33 HydrophobicContact CD2-CG1 3.81Å; Y25-V33 HydrophobicContact CG-CG1 3.95Å; Y25-V33 PolarHBondContact N-O 3.22Å; V33-Y42 HydrophobicContact CG2-CD1 4.12Å; V33-A53 HydrophobicContact CG2-CB 4.02Å; V33-W56 HydrophobicContact CB-CZ3 4.48Å; V33-W56 HydrophobicContact CG1-CE3 4.47Å; V33-W56 HydrophobicContact CG1-CH2 4.02Å; V33-W56 HydrophobicContact CG1-CZ3 3.52Å; V33-W56 HydrophobicContact CG2-CE3 4.31Å; V33-W56 HydrophobicContact CG2-CZ3 4.09Å
34R98.8Very high98.1Very high72 Ų7253 Ų5327%0.27225%0.252SS..EExtended strand (participates in β ladder)trans-138.5147.7174.778.3-179.267.4-167.8-1.2112.5D23 R24 E31 Y42 R43 V45D23-R34 CarbonylContact O-C 3.59Å; D23-R34 VanDerWaalsContact O-CA 3.23Å; D23-R34 WeakPolarHBondContact O-CA 3.38Å; R24-R34 HydrophobicContact CG-CB 4.22Å; E31-R34 WeakPolarHBondContact OE1-CB 3.32Å; E31-R34 IonicContact OE1-CZ 2.77Å; E31-R34 IonicContact OE1-NE 4Å; E31-R34 PolarHBondContact OE1-NE 3.15Å; E31-R34 IonicContact OE1-NH1 3.1Å; E31-R34 IonicContact OE1-NH2 3.15Å; E31-R34 PolarHBondContact OE1-NH2 2.68Å; E31-R34 IonicContact OE2-CZ 3.78Å; E31-R34 IonicContact OE2-NH2 2.89Å; E31-R34 PolarHBondContact OE2-NH2 3.06Å; R34-Y42 CarbonylContact O-C 3.57Å; R34-Y42 VanDerWaalsContact O-CA 3.23Å; R34-Y42 WeakPolarHBondContact O-CA 3.43Å; R34-R43 PolarHBondContact N-O 3.01Å; R34-R43 PolarHBondContact O-N 2.81Å; R34-V45 HydrophobicContact CB-CG2 4.34Å; R34-V45 HydrophobicContact CG-CG2 4.16Å; R34-V45 VanDerWaalsContact NE-CG2 3.26Å
35F98.8Very high98.1Very high0 Ų053.7 Ų53.70%026%0.261CS..EExtended strand (participates in β ladder)trans-100.5141.5153.4175.5-83.4000108.9F21 L22 D23 G40 E41 Y42 L63 R66 R67F21-F35 AromaticContact CD1-CD1 3.99Å; F21-F35 HydrophobicContact CD1-CD1 3.99Å; F21-F35 HydrophobicContact CD1-CE1 4.03Å; F21-F35 HydrophobicContact CE1-CD1 4.19Å; F21-F35 HydrophobicContact CE1-CE1 4.5Å; L22-F35 WeakPolarHBondContact CA-O 3.46Å; D23-F35 HydrophobicContact CB-CB 4.09Å; D23-F35 PolarHBondContact N-O 3.21Å; D23-F35 PolarHBondContact O-N 3.44Å; F35-G40 VanDerWaalsContact CE2-C 3.41Å; F35-E41 VanDerWaalsContact CD2-C 3.47Å; F35-Y42 HydrophobicContact CB-CD1 3.56Å; F35-Y42 HydrophobicContact CB-CD2 4.2Å; F35-Y42 HydrophobicContact CB-CE1 3.44Å; F35-Y42 VanDerWaalsContact CB-CE1 3.44Å; F35-Y42 HydrophobicContact CB-CE2 4.09Å; F35-Y42 HydrophobicContact CB-CG 3.96Å; F35-Y42 HydrophobicContact CD2-CD2 4.06Å; F35-Y42 HydrophobicContact CD2-CE2 4.09Å; F35-Y42 HydrophobicContact CD2-CG 4.45Å; F35-Y42 HydrophobicContact CG-CE2 4.46Å; F35-L63 HydrophobicContact CD2-CD2 4.31Å; F35-L63 HydrophobicContact CE2-CD2 4.12Å; F35-R66 HydrophobicContact CD1-CB 4.04Å; F35-R66 HydrophobicContact CD2-CB 3.87Å; F35-R66 HydrophobicContact CE1-CB 3.84Å; F35-R66 WeakPolarHBondContact CE1-O 3.26Å; F35-R66 HydrophobicContact CE2-CB 3.65Å; F35-R66 HydrophobicContact CG-CB 4.07Å; F35-R66 VanDerWaalsContact CZ-C 3.5Å; F35-R66 HydrophobicContact CZ-CB 3.65Å; F35-R67 HydrophobicContact CE2-CG 4.3Å; F35-R67 HydrophobicContact CZ-CG 3.86Å
36D98.7Very high98.1Very high15 Ų1554 Ų548%0.0827%0.266CS..EExtended strand (participates in β ladder)trans-131.5122.9176.5-176.5-8.4000108.8R20 L22 D38 V39 G40R20-D36 IonicContact CZ-OD1 2.64Å; R20-D36 IonicContact CZ-OD2 3.69Å; R20-D36 IonicContact NE-OD1 3.91Å; R20-D36 PolarHBondContact NE-OD1 2.87Å; R20-D36 IonicContact NE-OD2 3.82Å; R20-D36 PolarHBondContact NE-OD2 2.84Å; R20-D36 IonicContact NH2-OD1 3.85Å; R20-D36 IonicContact NH2-OD2 3.78Å; R20-D36 PolarHBondContact NH2-OD2 3.12Å; L22-D36 HydrophobicContact CD2-CB 3.85Å; D36-D38 PolarHBondContact O-N 2.95Å; D36-D38 PolarHBondContact OD1-N 3.32Å; D36-D38 VanDerWaalsContact OD1-N 3.09Å; D36-V39 HydrophobicContact CB-CB 4.21Å; D36-V39 HydrophobicContact CB-CG2 4.01Å; D36-V39 CarbonylContact O-C 3.46Å; D36-V39 WeakPolarHBondContact O-CA 3.21Å; D36-V39 PolarHBondContact O-N 3.46Å; D36-G40 PolarHBondContact O-N 3.04Å
37S98.5Very high98Very high26 Ų2659.7 Ų59.718%0.18229%0.293CS..THydrogen-bonded Turntrans-61.2-28.1-178.661.50000113.4R20 F21 V39 V70R20-S37 WeakPolarHBondContact CA-OG 3.43Å; F21-S37 PolarHBondContact N-OG 2.94Å; F21-S37 PolarHBondContact O-N 3.01Å; F21-S37 PolarHBondContact O-OG 2.84Å; S37-V39 PolarHBondContact O-N 2.84Å; S37-V70 VanDerWaalsContact CB-CG2 3.45Å
38D98.1Very high98Very high81 Ų8160.2 Ų60.243%0.43330%0.302SS..THydrogen-bonded Turntrans-71.5-19.7177-74.612.1000111.3R18 D36R18-D38 IonicContact NH2-OD2 2.97Å; R18-D38 PolarHBondContact NH2-OD2 2.9Å; D36-D38 PolarHBondContact O-N 2.95Å; D36-D38 PolarHBondContact OD1-N 3.32Å; D36-D38 VanDerWaalsContact OD1-N 3.09Å
39V98.4Very high98.2Very high81 Ų8156 Ų5649%0.49128%0.282SS..THydrogen-bonded Turntrans-100.4-37.2176.6-177.60000111.5D36 S37 E41D36-V39 HydrophobicContact CB-CB 4.21Å; D36-V39 HydrophobicContact CB-CG2 4.01Å; D36-V39 CarbonylContact O-C 3.46Å; D36-V39 WeakPolarHBondContact O-CA 3.21Å; D36-V39 PolarHBondContact O-N 3.46Å; S37-V39 PolarHBondContact O-N 2.84Å; V39-E41 HydrophobicContact CG1-CG 4.02Å
40G98.3Very high98.4Very high10 Ų1054.3 Ų54.310%0.10327%0.269CS..THydrogen-bonded Turntrans84.613.8175.800000115.6F35 D36 R67F35-G40 VanDerWaalsContact CE2-C 3.41Å; D36-G40 PolarHBondContact O-N 3.04Å; G40-R67 VanDerWaalsContact O-CZ 3.29Å; G40-R67 PolarHBondContact O-NE 2.98Å; G40-R67 PolarHBondContact O-NH2 3.47Å
41E98.6Very high98.4Very high53 Ų5353 Ų5325%0.24827%0.27CS..EExtended strand (participates in β ladder)trans-157.4168.2177.960.6179.6-160.800112.3F35 V39 R43 L63F35-E41 VanDerWaalsContact CD2-C 3.47Å; V39-E41 HydrophobicContact CG1-CG 4.02Å; E41-R43 IonicContact OE1-CZ 3.68Å; E41-R43 IonicContact OE1-NE 3.01Å; E41-R43 PolarHBondContact OE1-NE 3.4Å; E41-R43 IonicContact OE1-NH2 2.9Å; E41-R43 PolarHBondContact OE1-NH2 2.76Å; E41-L63 HydrophobicContact CB-CD2 4.18Å
42Y98.8Very high98.4Very high1 Ų153.5 Ų53.50%0.00428%0.276CS..EExtended strand (participates in β ladder)trans-77136.1174.3-73.3-87.2000111.3D23 Y25 V33 R34 F35 W56 N57 L62 L63 R66D23-Y42 PolarHBondContact OD2-OH 2.89Å; Y25-Y42 HydrophobicContact CE2-CE1 4.06Å; V33-Y42 HydrophobicContact CG2-CD1 4.12Å; R34-Y42 CarbonylContact O-C 3.57Å; R34-Y42 VanDerWaalsContact O-CA 3.23Å; R34-Y42 WeakPolarHBondContact O-CA 3.43Å; F35-Y42 HydrophobicContact CB-CD1 3.56Å; F35-Y42 HydrophobicContact CB-CD2 4.2Å; F35-Y42 HydrophobicContact CB-CE1 3.44Å; F35-Y42 VanDerWaalsContact CB-CE1 3.44Å; F35-Y42 HydrophobicContact CB-CE2 4.09Å; F35-Y42 HydrophobicContact CB-CG 3.96Å; F35-Y42 HydrophobicContact CD2-CD2 4.06Å; F35-Y42 HydrophobicContact CD2-CE2 4.09Å; F35-Y42 HydrophobicContact CD2-CG 4.45Å; F35-Y42 HydrophobicContact CG-CE2 4.46Å; Y42-W56 AromaticContact CD1-CE3 3.39Å; Y42-W56 HydrophobicContact CD1-CE3 3.39Å; Y42-W56 AromaticContact CD1-CZ3 3.8Å; Y42-W56 HydrophobicContact CD1-CZ3 3.8Å; Y42-W56 HydrophobicContact CD2-CB 3.62Å; Y42-W56 HydrophobicContact CD2-CE3 4.16Å; Y42-W56 HydrophobicContact CD2-CG 4.49Å; Y42-W56 HydrophobicContact CE1-CD2 4.42Å; Y42-W56 AromaticContact CE1-CE3 3.43Å; Y42-W56 HydrophobicContact CE1-CE3 3.43Å; Y42-W56 VanDerWaalsContact CE1-CE3 3.43Å; Y42-W56 AromaticContact CE1-CZ3 3.66Å; Y42-W56 HydrophobicContact CE1-CZ3 3.66Å; Y42-W56 HydrophobicContact CE2-CB 3.92Å; Y42-W56 HydrophobicContact CE2-CE3 4.2Å; Y42-W56 HydrophobicContact CE2-CG 4.5Å; Y42-W56 HydrophobicContact CG-CB 4.12Å; Y42-W56 AromaticContact CG-CE3 3.76Å; Y42-W56 HydrophobicContact CG-CE3 3.76Å; Y42-W56 AromaticContact CZ-CE3 3.86Å; Y42-N57 WeakPolarHBondContact CB-OD1 3.4Å; Y42-N57 PolarHBondContact N-OD1 2.89Å; Y42-N57 PolarHBondContact O-ND2 2.92Å; Y42-L62 HydrophobicContact CE2-CD2 4.36Å; Y42-L62 HydrophobicContact CE2-CG 4.48Å; Y42-L63 HydrophobicContact CD2-CD2 4.12Å; Y42-R66 HydrophobicContact CE2-CG 4.1Å; Y42-R66 WeakPolarHBondContact OH-CD 3.42Å; Y42-R66 WeakPolarHBondContact OH-CG 3.37Å; Y42-R66 PolarHBondContact OH-NE 3.4Å
43R98.8Very high98.4Very high145 Ų14552.7 Ų52.755%0.54727%0.274SS..EExtended strand (participates in β ladder)trans-127.2130.5174.1-69.4-66.8-177.6150.9-3.5109.7R34 E41 V45R34-R43 PolarHBondContact N-O 3.01Å; R34-R43 PolarHBondContact O-N 2.81Å; E41-R43 IonicContact OE1-CZ 3.68Å; E41-R43 IonicContact OE1-NE 3.01Å; E41-R43 PolarHBondContact OE1-NE 3.4Å; E41-R43 IonicContact OE1-NH2 2.9Å; E41-R43 PolarHBondContact OE1-NH2 2.76Å; R43-V45 PolarHBondContact O-N 2.97Å
44A98.6Very high98.4Very high43 Ų4358.7 Ų58.736%0.35530%0.302SS..EExtended strand (participates in β ladder)trans-64127.4169.200000108.8R50 A53A44-R50 HydrophobicContact CB-CB 4.34Å; A44-A53 HydrophobicContact CB-CB 4.25Å
45V98.4Very high98.4Very high62 Ų6262.1 Ų62.138%0.37632%0.316SS..SBendtrans-89.3-34.5174.4179.60000109.4E31 Y32 R34 R43E31-V45 HydrophobicContact CB-CG1 4.37Å; E31-V45 HydrophobicContact CG-CB 4.44Å; E31-V45 HydrophobicContact CG-CG2 4.02Å; E31-V45 VanDerWaalsContact O-CB 3.3Å; E31-V45 WeakPolarHBondContact O-CB 3.41Å; E31-V45 VanDerWaalsContact O-CG1 3.3Å; E31-V45 WeakPolarHBondContact O-CG1 3.41Å; Y32-V45 PolarHBondContact O-N 2.77Å; R34-V45 HydrophobicContact CB-CG2 4.34Å; R34-V45 HydrophobicContact CG-CG2 4.16Å; R34-V45 VanDerWaalsContact NE-CG2 3.26Å; R43-V45 PolarHBondContact O-N 2.97Å
46T98.2Very high98.4Very high34 Ų3464.3 Ų64.321%0.20932%0.324CS..SBendtrans-129168.7171.870.70000110.6E30 E31 Y32 L48 G49E30-T46 HydrophobicContact CG-CG2 3.97Å; E30-T46 WeakPolarHBondContact OE1-CG2 3.46Å; E31-T46 WeakPolarHBondContact O-CG2 3.28Å; Y32-T46 PolarHBondContact O-N 2.93Å; T46-L48 PolarHBondContact O-N 3.19Å; T46-L48 VanDerWaalsContact O-N 3.17Å; T46-G49 PolarHBondContact O-N 3.06Å
47E97.7Very high98.4Very high136 Ų13665.2 Ų65.264%0.63633%0.329SS*.G310 helixtrans-55.9-33179.5-70.6-58.2149.300113.3G49 R50E47-G49 PolarHBondContact O-N 2.89Å; E47-R50 WeakPolarHBondContact O-CB 3.42Å; E47-R50 PolarHBondContact O-N 2.98Å; E47-R50 IonicContact OE1-CZ 3.78Å; E47-R50 IonicContact OE1-NH2 3.39Å; E47-R50 PolarHBondContact OE1-NH2 2.9Å; E47-R50 IonicContact OE2-CZ 3.33Å; E47-R50 IonicContact OE2-NE 3.1Å; E47-R50 PolarHBondContact OE2-NE 3.49Å; E47-R50 VanDerWaalsContact OE2-NE 3.1Å; E47-R50 IonicContact OE2-NH2 2.79Å; E47-R50 PolarHBondContact OE2-NH2 3.01Å
48L97.2Very high98.4Very high100 Ų10067.6 Ų67.652%0.52435%0.346SS..G310 helixtrans-58.4-33.1177.4-177.665.9000112.5Y27 Y32 T46 P51Y27-L48 HydrophobicContact CD1-CD2 4.18Å; Y27-L48 HydrophobicContact CG-CD2 4.26Å; Y32-L48 HydrophobicContact CG-CD2 4.25Å; T46-L48 PolarHBondContact O-N 3.19Å; T46-L48 VanDerWaalsContact O-N 3.17Å; L48-P51 WeakPolarHBondContact O-CD 3.23Å
49G98.4Very high98.4Very high0 Ų067 Ų670%034%0.34CS..G310 helixtrans-86.5-4.8-177.500000115.7Y32 T46 E47 S52 A53Y32-G49 WeakPolarHBondContact O-CA 3.35Å; T46-G49 PolarHBondContact O-N 3.06Å; E47-G49 PolarHBondContact O-N 2.89Å; G49-S52 PolarHBondContact O-N 3.3Å; G49-A53 WeakPolarHBondContact O-CB 3.4Å; G49-A53 PolarHBondContact O-N 3.36Å
50R98.7Very high98.4Very high125 Ų12569.7 Ų69.747%0.47235%0.345SS..Hα-helixtrans-56.4-49.1-178.9-172.1-171.8-60.2-154.7-4.9112.6A44 E47 S52 A53 E54A44-R50 HydrophobicContact CB-CB 4.34Å; E47-R50 WeakPolarHBondContact O-CB 3.42Å; E47-R50 PolarHBondContact O-N 2.98Å; E47-R50 IonicContact OE1-CZ 3.78Å; E47-R50 IonicContact OE1-NH2 3.39Å; E47-R50 PolarHBondContact OE1-NH2 2.9Å; E47-R50 IonicContact OE2-CZ 3.33Å; E47-R50 IonicContact OE2-NE 3.1Å; E47-R50 PolarHBondContact OE2-NE 3.49Å; E47-R50 VanDerWaalsContact OE2-NE 3.1Å; E47-R50 IonicContact OE2-NH2 2.79Å; E47-R50 PolarHBondContact OE2-NH2 3.01Å; R50-S52 VanDerWaalsContact C-N 3.33Å; R50-S52 PolarHBondContact O-N 3.48Å; R50-A53 PolarHBondContact O-N 3.38Å; R50-E54 WeakPolarHBondContact CG-OE1 3.46Å; R50-E54 WeakPolarHBondContact O-CG 3.23Å; R50-E54 PolarHBondContact O-N 3.13Å
51P98.6Very high98.4Very high85 Ų8574.9 Ų74.955%0.55237%0.371SS*.Hα-helixtrans-62.6-40179.3-20.734.1000112.4L48 Y55L48-P51 WeakPolarHBondContact O-CD 3.23Å; P51-Y55 VanDerWaalsContact O-CB 3.27Å; P51-Y55 WeakPolarHBondContact O-CB 3.39Å; P51-Y55 PolarHBondContact O-N 3.3Å
52S98.4Very high98.4Very high31 Ų3173.8 Ų73.822%0.21737%0.367CS..Hα-helixtrans-66.2-43.6178.7-56.10000111.9G49 R50 Y55 W56G49-S52 PolarHBondContact O-N 3.3Å; R50-S52 VanDerWaalsContact C-N 3.33Å; R50-S52 PolarHBondContact O-N 3.48Å; S52-Y55 PolarHBondContact O-N 3.39Å; S52-W56 WeakPolarHBondContact O-CB 3.31Å; S52-W56 PolarHBondContact O-N 3.29Å
53A98.7Very high98.3Very high7 Ų774 Ų746%0.05837%0.368CS..Hα-helixtrans-62.4-46.5177.800000111.6V33 A44 G49 R50 N57V33-A53 HydrophobicContact CG2-CB 4.02Å; A44-A53 HydrophobicContact CB-CB 4.25Å; G49-A53 WeakPolarHBondContact O-CB 3.4Å; G49-A53 PolarHBondContact O-N 3.36Å; R50-A53 PolarHBondContact O-N 3.38Å; A53-N57 WeakPolarHBondContact O-CB 3.24Å; A53-N57 PolarHBondContact O-N 3.34Å; A53-N57 PolarHBondContact O-ND2 3.08Å; A53-N57 VanDerWaalsContact O-ND2 3.12Å
54E98.6Very high98.3Very high126 Ų12672.9 Ų72.959%0.58937%0.369SS*.Hα-helixtrans-60.9-48.9177-72172.4-173.100111.5R50 N57 S58R50-E54 WeakPolarHBondContact CG-OE1 3.46Å; R50-E54 WeakPolarHBondContact O-CG 3.23Å; R50-E54 PolarHBondContact O-N 3.13Å; E54-N57 PolarHBondContact O-N 3.48Å; E54-S58 PolarHBondContact O-N 3.13Å; E54-S58 VanDerWaalsContact O-N 3.11Å
55Y98.6Very high98.3Very high144 Ų14476.5 Ų76.557%0.56538%0.378SS*.Hα-helixtrans-62.9-47.2-179.7179.5-114.9000112.4P51 S52 S58 Q59P51-Y55 VanDerWaalsContact O-CB 3.27Å; P51-Y55 WeakPolarHBondContact O-CB 3.39Å; P51-Y55 PolarHBondContact O-N 3.3Å; S52-Y55 PolarHBondContact O-N 3.39Å; Y55-S58 PolarHBondContact O-N 3.1Å; Y55-S58 PolarHBondContact O-OG 3.1Å; Y55-Q59 VanDerWaalsContact CD1-NE2 3.3Å; Y55-Q59 VanDerWaalsContact CZ-NE2 3.27Å; Y55-Q59 PolarHBondContact O-NE2 3.11Å
56W98.7Very high98.3Very high46 Ų4676.3 Ų76.317%0.17437%0.371CS..Hα-helixtrans-69.7-34.6180-64.6-23.4000112.7Y25 V33 Y42 S52 S58 Q59 L62Y25-W56 AromaticContact CD1-CH2 3.87Å; Y25-W56 HydrophobicContact CD1-CH2 3.87Å; Y25-W56 AromaticContact CD2-CH2 3.9Å; Y25-W56 HydrophobicContact CD2-CH2 3.9Å; Y25-W56 AromaticContact CD2-CZ3 3.81Å; Y25-W56 HydrophobicContact CD2-CZ3 3.81Å; Y25-W56 AromaticContact CE1-CH2 3.67Å; Y25-W56 HydrophobicContact CE1-CH2 3.67Å; Y25-W56 HydrophobicContact CE1-CZ2 4.39Å; Y25-W56 HydrophobicContact CE1-CZ3 4.43Å; Y25-W56 AromaticContact CE2-CH2 3.73Å; Y25-W56 HydrophobicContact CE2-CH2 3.73Å; Y25-W56 AromaticContact CE2-CZ3 3.64Å; Y25-W56 HydrophobicContact CE2-CZ3 3.64Å; Y25-W56 HydrophobicContact CG-CH2 4.01Å; Y25-W56 HydrophobicContact CG-CZ3 4.33Å; Y25-W56 AromaticContact CZ-CH2 3.63Å; Y25-W56 AromaticContact CZ-CZ3 3.98Å; V33-W56 HydrophobicContact CB-CZ3 4.48Å; V33-W56 HydrophobicContact CG1-CE3 4.47Å; V33-W56 HydrophobicContact CG1-CH2 4.02Å; V33-W56 HydrophobicContact CG1-CZ3 3.52Å; V33-W56 HydrophobicContact CG2-CE3 4.31Å; V33-W56 HydrophobicContact CG2-CZ3 4.09Å; Y42-W56 AromaticContact CD1-CE3 3.39Å; Y42-W56 HydrophobicContact CD1-CE3 3.39Å; Y42-W56 AromaticContact CD1-CZ3 3.8Å; Y42-W56 HydrophobicContact CD1-CZ3 3.8Å; Y42-W56 HydrophobicContact CD2-CB 3.62Å; Y42-W56 HydrophobicContact CD2-CE3 4.16Å; Y42-W56 HydrophobicContact CD2-CG 4.49Å; Y42-W56 HydrophobicContact CE1-CD2 4.42Å; Y42-W56 AromaticContact CE1-CE3 3.43Å; Y42-W56 HydrophobicContact CE1-CE3 3.43Å; Y42-W56 VanDerWaalsContact CE1-CE3 3.43Å; Y42-W56 AromaticContact CE1-CZ3 3.66Å; Y42-W56 HydrophobicContact CE1-CZ3 3.66Å; Y42-W56 HydrophobicContact CE2-CB 3.92Å; Y42-W56 HydrophobicContact CE2-CE3 4.2Å; Y42-W56 HydrophobicContact CE2-CG 4.5Å; Y42-W56 HydrophobicContact CG-CB 4.12Å; Y42-W56 AromaticContact CG-CE3 3.76Å; Y42-W56 HydrophobicContact CG-CE3 3.76Å; Y42-W56 AromaticContact CZ-CE3 3.86Å; S52-W56 WeakPolarHBondContact O-CB 3.31Å; S52-W56 PolarHBondContact O-N 3.29Å; W56-S58 VanDerWaalsContact C-N 3.25Å; W56-S58 PolarHBondContact O-N 2.94Å; W56-Q59 PolarHBondContact O-N 3.41Å; W56-Q59 VanDerWaalsContact O-N 3.16Å; W56-L62 HydrophobicContact CB-CD2 3.82Å; W56-L62 HydrophobicContact CG-CD2 3.87Å
57N98.7Very high98.3Very high33 Ų3380.5 Ų80.518%0.17638%0.383CS..Hα-helixtrans-70.1-23.2175.7-71.4-21.3000113.5Y42 A53 E54 Q59 L63Y42-N57 WeakPolarHBondContact CB-OD1 3.4Å; Y42-N57 PolarHBondContact N-OD1 2.89Å; Y42-N57 PolarHBondContact O-ND2 2.92Å; A53-N57 WeakPolarHBondContact O-CB 3.24Å; A53-N57 PolarHBondContact O-N 3.34Å; A53-N57 PolarHBondContact O-ND2 3.08Å; A53-N57 VanDerWaalsContact O-ND2 3.12Å; E54-N57 PolarHBondContact O-N 3.48Å; N57-Q59 VanDerWaalsContact C-N 3.3Å; N57-L63 HydrophobicContact CB-CD1 4.4Å; N57-L63 VanDerWaalsContact O-CD1 3.3Å; N57-L63 WeakPolarHBondContact O-CD1 3.47Å
58S98.4Very high98.3Very high77 Ų7776 Ų7654%0.53837%0.369SS..Hα-helixtrans-73.3-22.4172.877.90000113.1E54 Y55 W56 K60E54-S58 PolarHBondContact O-N 3.13Å; E54-S58 VanDerWaalsContact O-N 3.11Å; Y55-S58 PolarHBondContact O-N 3.1Å; Y55-S58 PolarHBondContact O-OG 3.1Å; W56-S58 VanDerWaalsContact C-N 3.25Å; W56-S58 PolarHBondContact O-N 2.94Å; S58-K60 PolarHBondContact O-N 3.26Å
59Q98.5Very high98.4Very high67 Ų6771.5 Ų71.531%0.31335%0.346SS..  trans-87.898.2178.8-70.5172.179.700110.7Y55 W56 N57 D61 L62 L63Y55-Q59 VanDerWaalsContact CD1-NE2 3.3Å; Y55-Q59 VanDerWaalsContact CZ-NE2 3.27Å; Y55-Q59 PolarHBondContact O-NE2 3.11Å; W56-Q59 PolarHBondContact O-N 3.41Å; W56-Q59 VanDerWaalsContact O-N 3.16Å; N57-Q59 VanDerWaalsContact C-N 3.3Å; Q59-D61 PolarHBondContact O-N 3.18Å; Q59-L62 HydrophobicContact CB-CB 3.86Å; Q59-L62 HydrophobicContact CB-CD2 4.47Å; Q59-L62 PolarHBondContact O-N 3.17Å; Q59-L63 PolarHBondContact O-N 3.42Å; Q59-L63 VanDerWaalsContact O-N 3.1Å
60K97.7Very high98.4Very high138 Ų13872.2 Ų72.260%0.635%0.351SS*.Hα-helixtrans-62.1-44.9-175.5-61.9-54.1-178.4-1670113S58 L62 L63 E64S58-K60 PolarHBondContact O-N 3.26Å; K60-L62 VanDerWaalsContact C-N 3.27Å; K60-L62 PolarHBondContact O-N 3.13Å; K60-L63 PolarHBondContact O-N 3.49Å; K60-L63 VanDerWaalsContact O-N 3.13Å; K60-E64 WeakPolarHBondContact O-CG 3.45Å; K60-E64 PolarHBondContact O-N 3.12Å
61D98.3Very high98.4Very high120 Ų12070.7 Ų70.764%0.64235%0.352SS*.Hα-helixtrans-59.6-39.9179.1-55.7-13.2000111.6Q59 E64 Q65Q59-D61 PolarHBondContact O-N 3.18Å; D61-E64 PolarHBondContact O-N 2.64Å; D61-Q65 WeakPolarHBondContact O-CB 3.22Å; D61-Q65 VanDerWaalsContact O-CG 3.24Å; D61-Q65 WeakPolarHBondContact O-CG 3.5Å; D61-Q65 PolarHBondContact O-N 3.35Å
62L98Very high98.3Very high29 Ų2971.3 Ų71.315%0.15235%0.354CS..Hα-helixtrans-65.2-45.8176.6177.763.5000111.4Y42 W56 Q59 K60 E64 Q65 R66Y42-L62 HydrophobicContact CE2-CD2 4.36Å; Y42-L62 HydrophobicContact CE2-CG 4.48Å; W56-L62 HydrophobicContact CB-CD2 3.82Å; W56-L62 HydrophobicContact CG-CD2 3.87Å; Q59-L62 HydrophobicContact CB-CB 3.86Å; Q59-L62 HydrophobicContact CB-CD2 4.47Å; Q59-L62 PolarHBondContact O-N 3.17Å; K60-L62 VanDerWaalsContact C-N 3.27Å; K60-L62 PolarHBondContact O-N 3.13Å; L62-E64 VanDerWaalsContact C-N 3.35Å; L62-E64 PolarHBondContact O-N 2.93Å; L62-Q65 PolarHBondContact O-N 3.44Å; L62-R66 HydrophobicContact CD1-CG 4.27Å; L62-R66 VanDerWaalsContact O-CG 3.3Å; L62-R66 WeakPolarHBondContact O-CG 3.47Å; L62-R66 PolarHBondContact O-N 3.29Å
63L98Very high98.3Very high5 Ų574.6 Ų74.63%0.02636%0.362CS..Hα-helixtrans-61.6-43177.7-81.9-178000112.1F35 E41 Y42 N57 Q59 K60 R66 R67F35-L63 HydrophobicContact CD2-CD2 4.31Å; F35-L63 HydrophobicContact CE2-CD2 4.12Å; E41-L63 HydrophobicContact CB-CD2 4.18Å; Y42-L63 HydrophobicContact CD2-CD2 4.12Å; N57-L63 HydrophobicContact CB-CD1 4.4Å; N57-L63 VanDerWaalsContact O-CD1 3.3Å; N57-L63 WeakPolarHBondContact O-CD1 3.47Å; Q59-L63 PolarHBondContact O-N 3.42Å; Q59-L63 VanDerWaalsContact O-N 3.1Å; K60-L63 PolarHBondContact O-N 3.49Å; K60-L63 VanDerWaalsContact O-N 3.13Å; L63-R66 PolarHBondContact O-N 3.41Å; L63-R67 WeakPolarHBondContact O-CB 3.3Å; L63-R67 VanDerWaalsContact O-CG 3.22Å; L63-R67 WeakPolarHBondContact O-CG 3.3Å; L63-R67 PolarHBondContact O-N 2.84Å
64E98.3Very high98.3Very high123 Ų12374.2 Ų74.258%0.57536%0.36SS*.Hα-helixtrans-63.6-43.4177.1-71.3-176.2159.500111.3K60 D61 L62 R66 R67 A68K60-E64 WeakPolarHBondContact O-CG 3.45Å; K60-E64 PolarHBondContact O-N 3.12Å; D61-E64 PolarHBondContact O-N 2.64Å; L62-E64 VanDerWaalsContact C-N 3.35Å; L62-E64 PolarHBondContact O-N 2.93Å; E64-R66 VanDerWaalsContact C-N 3.33Å; E64-R66 PolarHBondContact O-N 2.95Å; E64-R67 PolarHBondContact O-N 3.4Å; E64-A68 WeakPolarHBondContact O-CB 3.43Å; E64-A68 PolarHBondContact O-N 2.03Å
65Q98.3Very high98.2Very high118 Ų11871.8 Ų71.855%0.55135%0.345SS*.Hα-helixtrans-59.4-42.3173.7-74.2175.225.500112.3D61 L62 A68 A69D61-Q65 WeakPolarHBondContact O-CB 3.22Å; D61-Q65 VanDerWaalsContact O-CG 3.24Å; D61-Q65 WeakPolarHBondContact O-CG 3.5Å; D61-Q65 PolarHBondContact O-N 3.35Å; L62-Q65 PolarHBondContact O-N 3.44Å; Q65-A68 PolarHBondContact O-N 3.08Å; Q65-A69 PolarHBondContact O-N 3.02Å; Q65-A69 VanDerWaalsContact O-N 3.1Å
66R98.3Very high98Very high58 Ų5870.3 Ų70.322%0.21934%0.343CS..Hα-helixtrans-70.4-35.8179.2-68.6-69.5179.1-93.1-0.8112.7D23 F35 Y42 L62 L63 E64 A69D23-R66 IonicContact OD2-CZ 3.45Å; D23-R66 IonicContact OD2-NE 3.45Å; D23-R66 PolarHBondContact OD2-NE 3.34Å; D23-R66 VanDerWaalsContact OD2-NE 3.15Å; F35-R66 HydrophobicContact CD1-CB 4.04Å; F35-R66 HydrophobicContact CD2-CB 3.87Å; F35-R66 HydrophobicContact CE1-CB 3.84Å; F35-R66 WeakPolarHBondContact CE1-O 3.26Å; F35-R66 HydrophobicContact CE2-CB 3.65Å; F35-R66 HydrophobicContact CG-CB 4.07Å; F35-R66 VanDerWaalsContact CZ-C 3.5Å; F35-R66 HydrophobicContact CZ-CB 3.65Å; Y42-R66 HydrophobicContact CE2-CG 4.1Å; Y42-R66 WeakPolarHBondContact OH-CD 3.42Å; Y42-R66 WeakPolarHBondContact OH-CG 3.37Å; Y42-R66 PolarHBondContact OH-NE 3.4Å; L62-R66 HydrophobicContact CD1-CG 4.27Å; L62-R66 VanDerWaalsContact O-CG 3.3Å; L62-R66 WeakPolarHBondContact O-CG 3.47Å; L62-R66 PolarHBondContact O-N 3.29Å; L63-R66 PolarHBondContact O-N 3.41Å; E64-R66 VanDerWaalsContact C-N 3.33Å; E64-R66 PolarHBondContact O-N 2.95Å; R66-A69 VanDerWaalsContact O-CB 3.31Å; R66-A69 WeakPolarHBondContact O-CB 3.03Å; R66-A69 PolarHBondContact O-N 3.37Å
67R98.4Very high97.9Very high122 Ų12271.5 Ų71.546%0.4635%0.353SS..Hα-helixtrans-64.7-41.3171.8-71165.8-176174.6-1.4111.5F35 G40 L63 E64 A69F35-R67 HydrophobicContact CE2-CG 4.3Å; F35-R67 HydrophobicContact CZ-CG 3.86Å; G40-R67 VanDerWaalsContact O-CZ 3.29Å; G40-R67 PolarHBondContact O-NE 2.98Å; G40-R67 PolarHBondContact O-NH2 3.47Å; L63-R67 WeakPolarHBondContact O-CB 3.3Å; L63-R67 VanDerWaalsContact O-CG 3.22Å; L63-R67 WeakPolarHBondContact O-CG 3.3Å; L63-R67 PolarHBondContact O-N 2.84Å; E64-R67 PolarHBondContact O-N 3.4Å; R67-A69 PolarHBondContact O-N 3.35Å
68A98.6Very high97.6Very high41 Ų4173.7 Ų73.734%0.33936%0.359SS..Hα-helixtrans-70.8-18.3178.200000113.6E64 Q65 V70 D71 T72E64-A68 WeakPolarHBondContact O-CB 3.43Å; E64-A68 PolarHBondContact O-N 2.03Å; Q65-A68 PolarHBondContact O-N 3.08Å; A68-V70 PolarHBondContact O-N 2.95Å; A68-V70 VanDerWaalsContact O-N 3.08Å; A68-D71 PolarHBondContact O-N 3.41Å; A68-T72 HydrophobicContact CB-CG2 4.21Å; A68-T72 PolarHBondContact O-N 3.18Å; A68-T72 PolarHBondContact O-OG1 2.72Å; A68-T72 VanDerWaalsContact O-OG1 3.13Å
69A98.4Very high97.3Very high6 Ų671.6 Ų71.65%0.0535%0.35CS..Hα-helixtrans-60.3-21.4-176.700000114F21 Q65 R66 R67 D71 T72 Y73 C74F21-A69 HydrophobicContact CD1-CB 3.66Å; F21-A69 HydrophobicContact CD2-CB 4.29Å; F21-A69 HydrophobicContact CE1-CB 3.65Å; F21-A69 HydrophobicContact CE2-CB 4.27Å; F21-A69 HydrophobicContact CG-CB 3.98Å; F21-A69 HydrophobicContact CZ-CB 3.96Å; Q65-A69 PolarHBondContact O-N 3.02Å; Q65-A69 VanDerWaalsContact O-N 3.1Å; R66-A69 VanDerWaalsContact O-CB 3.31Å; R66-A69 WeakPolarHBondContact O-CB 3.03Å; R66-A69 PolarHBondContact O-N 3.37Å; R67-A69 PolarHBondContact O-N 3.35Å; A69-D71 VanDerWaalsContact C-N 3.27Å; A69-D71 PolarHBondContact O-N 2.83Å; A69-T72 WeakPolarHBondContact CA-OG1 3.01Å; A69-Y73 WeakPolarHBondContact O-CA 3.41Å; A69-Y73 WeakPolarHBondContact O-CB 3.33Å; A69-Y73 PolarHBondContact O-N 2.98Å; A69-Y73 VanDerWaalsContact O-N 3.08Å; A69-C74 PolarHBondContact O-N 3.49Å
70V98.4Very high97Very high16 Ų1671.3 Ų71.310%0.09735%0.353CS..Iπ-helixtrans-57.5-43.9171.9-173.50000110.7V19 F21 S37 A68 C74 R75V19-V70 HydrophobicContact CB-CG1 3.72Å; V19-V70 HydrophobicContact CG1-CG1 3.9Å; V19-V70 WeakPolarHBondContact O-CG1 3.33Å; F21-V70 HydrophobicContact CB-CG2 4Å; S37-V70 VanDerWaalsContact CB-CG2 3.45Å; A68-V70 PolarHBondContact O-N 2.95Å; A68-V70 VanDerWaalsContact O-N 3.08Å; V70-C74 WeakPolarHBondContact O-CB 3.35Å; V70-R75 PolarHBondContact O-N 2.91Å
71D98.2Very high96.5Very high93 Ų9366.2 Ų66.250%0.49734%0.339SS..Iπ-helixtrans-88.4-51.5179.8-69.8-55.6000111.9A68 A69 Y73 R75 H76A68-D71 PolarHBondContact O-N 3.41Å; A69-D71 VanDerWaalsContact C-N 3.27Å; A69-D71 PolarHBondContact O-N 2.83Å; D71-Y73 VanDerWaalsContact C-N 3.32Å; D71-Y73 PolarHBondContact O-N 3.4Å; D71-R75 WeakPolarHBondContact OD1-CD 3.44Å; D71-R75 IonicContact OD1-CZ 3.57Å; D71-R75 IonicContact OD1-NE 3.96Å; D71-R75 IonicContact OD1-NH1 3.19Å; D71-R75 PolarHBondContact OD1-NH1 2.95Å; D71-R75 IonicContact OD2-NH1 3.16Å; D71-H76 PolarHBondContact O-N 2.79Å
72T97.8Very high95.8Very high97 Ų9764.4 Ų64.460%0.59533%0.327SS*.Iπ-helixtrans-73.2-25.4-16962.10000113.2A68 A69 H76A68-T72 HydrophobicContact CB-CG2 4.21Å; A68-T72 PolarHBondContact O-N 3.18Å; A68-T72 PolarHBondContact O-OG1 2.72Å; A68-T72 VanDerWaalsContact O-OG1 3.13Å; A69-T72 WeakPolarHBondContact CA-OG1 3.01Å; T72-H76 VanDerWaalsContact O-CB 3.31Å; T72-H76 WeakPolarHBondContact O-CB 3.49Å
73Y97.4Very high95Very high100 Ų10067 Ų6739%0.39235%0.347SS..Iπ-helixtrans-113.5-58.4179.4-179.1-100.3000111.6H8 F21 A69 D71 N77H8-Y73 HydrophobicContact CB-CE1 4.38Å; F21-Y73 HydrophobicContact CD2-CD1 4.44Å; F21-Y73 HydrophobicContact CE2-CD1 4.14Å; F21-Y73 HydrophobicContact CE2-CE1 4.49Å; A69-Y73 WeakPolarHBondContact O-CA 3.41Å; A69-Y73 WeakPolarHBondContact O-CB 3.33Å; A69-Y73 PolarHBondContact O-N 2.98Å; A69-Y73 VanDerWaalsContact O-N 3.08Å; D71-Y73 VanDerWaalsContact C-N 3.32Å; D71-Y73 PolarHBondContact O-N 3.4Å; Y73-N77 VanDerWaalsContact CD2-ND2 3.28Å; Y73-N77 WeakPolarHBondContact CD2-ND2 3.36Å; Y73-N77 WeakPolarHBondContact CE2-ND2 3.42Å; Y73-N77 VanDerWaalsContact O-CB 3.26Å; Y73-N77 WeakPolarHBondContact O-CB 3.43Å; Y73-N77 VanDerWaalsContact O-CG 3.27Å; Y73-N77 PolarHBondContact O-N 2.62Å; Y73-N77 PolarHBondContact O-ND2 3.23Å
74C97.9Very high94Very high0 Ų074.9 Ų74.90%038%0.382CS..Iπ-helixtrans-68.4-58.2-172.1-63.30000112.9C10 F12 V19 A69 V70 H76 N77 Y78C10-C74 HydrophobicContact CB-CB 3.61Å; C10-C74 WeakPolarHBondContact CB-SG 3.46Å; C10-C74 WeakPolarHBondContact SG-CA 3.48Å; C10-C74 WeakPolarHBondContact SG-CB 3.31Å; C10-C74 CovalentContact SG-SG 2.03Å; C10-C74 PolarHBondContact SG-SG 2.94Å; F12-C74 HydrophobicContact CE1-CB 4.22Å; F12-C74 HydrophobicContact CZ-CB 4.01Å; F12-C74 WeakPolarHBondContact CZ-O 3.39Å; V19-C74 HydrophobicContact CG1-CB 3.51Å; A69-C74 PolarHBondContact O-N 3.49Å; V70-C74 WeakPolarHBondContact O-CB 3.35Å; C74-H76 VanDerWaalsContact C-N 3.33Å; C74-H76 PolarHBondContact O-N 2.77Å; C74-N77 PolarHBondContact O-N 2.79Å; C74-Y78 WeakPolarHBondContact O-CB 3.48Å; C74-Y78 PolarHBondContact O-N 3.14Å
75R97.1Very high93Very high74 Ų7473.4 Ų73.428%0.27938%0.381SS..Iπ-helixtrans-64-39.8179.5-71.3-171.2-179.897.41.8112.1T16 V19 V70 D71 Y78 G79T16-R75 HydrophobicContact CG2-CG 4.4Å; T16-R75 PolarHBondContact O-NE 2.84Å; T16-R75 VanDerWaalsContact O-NE 3.17Å; T16-R75 PolarHBondContact O-NH2 3.22Å; V19-R75 HydrophobicContact CG2-CG 3.92Å; V70-R75 PolarHBondContact O-N 2.91Å; D71-R75 WeakPolarHBondContact OD1-CD 3.44Å; D71-R75 IonicContact OD1-CZ 3.57Å; D71-R75 IonicContact OD1-NE 3.96Å; D71-R75 IonicContact OD1-NH1 3.19Å; D71-R75 PolarHBondContact OD1-NH1 2.95Å; D71-R75 IonicContact OD2-NH1 3.16Å; R75-Y78 PolarHBondContact O-N 3.39Å; R75-G79 PolarHBondContact O-N 2.63Å
76H95.7Very high91.8Very high114 Ų11474.5 Ų74.553%0.52840%0.395SS..Hα-helixtrans-54.3-55.8174.3179.371.8000111.9D71 T72 C74 Y78 G79 V80D71-H76 PolarHBondContact O-N 2.79Å; T72-H76 VanDerWaalsContact O-CB 3.31Å; T72-H76 WeakPolarHBondContact O-CB 3.49Å; C74-H76 VanDerWaalsContact C-N 3.33Å; C74-H76 PolarHBondContact O-N 2.77Å; H76-Y78 VanDerWaalsContact C-N 3.32Å; H76-Y78 PolarHBondContact O-N 2.87Å; H76-G79 PolarHBondContact O-N 2.96Å; H76-V80 WeakPolarHBondContact O-CG2 3.41Å; H76-V80 PolarHBondContact O-N 3.23Å; H76-V80 VanDerWaalsContact O-N 3.08Å
77N95.1Very high90.4Very high71 Ų7176.5 Ų76.538%0.3841%0.407SS..Hα-helixtrans-67.9-31.9-178.6-72.4-34.5000112.9Y73 C74 V80 G81Y73-N77 VanDerWaalsContact CD2-ND2 3.28Å; Y73-N77 WeakPolarHBondContact CD2-ND2 3.36Å; Y73-N77 WeakPolarHBondContact CE2-ND2 3.42Å; Y73-N77 VanDerWaalsContact O-CB 3.26Å; Y73-N77 WeakPolarHBondContact O-CB 3.43Å; Y73-N77 VanDerWaalsContact O-CG 3.27Å; Y73-N77 PolarHBondContact O-N 2.62Å; Y73-N77 PolarHBondContact O-ND2 3.23Å; C74-N77 PolarHBondContact O-N 2.79Å; N77-V80 PolarHBondContact O-N 3.08Å; N77-G81 PolarHBondContact O-N 2.91Å
78Y93.6Very high88.7Confident78 Ų7882.6 Ų82.631%0.30643%0.43SS..Hα-helixtrans-60-50.5173.2-171.4-84.2000111.1F12 T16 C74 R75 H76 V80 G81 E82F12-Y78 HydrophobicContact CB-CE2 4.42Å; F12-Y78 AromaticContact CD1-CD2 3.59Å; F12-Y78 HydrophobicContact CD1-CD2 3.59Å; F12-Y78 HydrophobicContact CD1-CE2 4.14Å; F12-Y78 HydrophobicContact CD1-CG 4.14Å; F12-Y78 HydrophobicContact CD2-CD2 4.02Å; F12-Y78 HydrophobicContact CD2-CE2 4.46Å; F12-Y78 AromaticContact CE1-CD2 3.61Å; F12-Y78 HydrophobicContact CE1-CD2 3.61Å; F12-Y78 AromaticContact CE1-CG 3.87Å; F12-Y78 HydrophobicContact CE1-CG 3.87Å; F12-Y78 HydrophobicContact CE2-CD2 4.02Å; F12-Y78 AromaticContact CG-CD2 3.82Å; F12-Y78 HydrophobicContact CG-CD2 3.82Å; F12-Y78 HydrophobicContact CG-CE2 4.1Å; F12-Y78 AromaticContact CZ-CD2 3.82Å; F12-Y78 HydrophobicContact CZ-CD2 3.82Å; F12-Y78 HydrophobicContact CZ-CG 4.25Å; T16-Y78 HydrophobicContact CG2-CD1 3.36Å; T16-Y78 HydrophobicContact CG2-CD2 4.43Å; T16-Y78 HydrophobicContact CG2-CE1 3.8Å; T16-Y78 HydrophobicContact CG2-CG 3.72Å; C74-Y78 WeakPolarHBondContact O-CB 3.48Å; C74-Y78 PolarHBondContact O-N 3.14Å; R75-Y78 PolarHBondContact O-N 3.39Å; H76-Y78 VanDerWaalsContact C-N 3.32Å; H76-Y78 PolarHBondContact O-N 2.87Å; Y78-V80 VanDerWaalsContact C-N 3.32Å; Y78-V80 PolarHBondContact O-N 2.98Å; Y78-G81 PolarHBondContact O-N 3.32Å; Y78-G81 VanDerWaalsContact O-N 3.12Å; Y78-E82 HydrophobicContact CD1-CG 4.47Å; Y78-E82 HydrophobicContact CE1-CG 4Å; Y78-E82 WeakPolarHBondContact O-CB 3.44Å; Y78-E82 PolarHBondContact O-N 2.64Å
79G92.2Very high86.7Confident34 Ų3495.7 Ų95.735%0.35147%0.471SS..Hα-helixtrans-62.1-37.9178.700000112.9R75 H76 E82 S83R75-G79 PolarHBondContact O-N 2.63Å; H76-G79 PolarHBondContact O-N 2.96Å; G79-E82 PolarHBondContact O-N 3.17Å; G79-S83 PolarHBondContact O-N 2.8Å; G79-S83 VanDerWaalsContact O-N 3.13Å
80V91.1Very high86.1Confident61 Ų61100.2 Ų100.237%0.3749%0.492SS..Hα-helixtrans-59.2-51.9171.2174.40000110H76 N77 Y78 E82 S83 F84H76-V80 WeakPolarHBondContact O-CG2 3.41Å; H76-V80 PolarHBondContact O-N 3.23Å; H76-V80 VanDerWaalsContact O-N 3.08Å; N77-V80 PolarHBondContact O-N 3.08Å; Y78-V80 VanDerWaalsContact C-N 3.32Å; Y78-V80 PolarHBondContact O-N 2.98Å; V80-E82 PolarHBondContact O-N 3.02Å; V80-S83 PolarHBondContact O-N 3.27Å; V80-S83 PolarHBondContact O-OG 3.4Å; V80-F84 HydrophobicContact CG1-CD2 4.12Å; V80-F84 HydrophobicContact CG1-CE2 3.89Å; V80-F84 WeakPolarHBondContact O-CD2 3.44Å
81G87.1Confident85.5Confident30 Ų30104.6 Ų104.631%0.30951%0.513SS..Hα-helixtrans-60.9-41.6179.200000113.8N77 Y78 S83 F84 T85N77-G81 PolarHBondContact O-N 2.91Å; Y78-G81 PolarHBondContact O-N 3.32Å; Y78-G81 VanDerWaalsContact O-N 3.12Å; G81-S83 VanDerWaalsContact C-N 3.26Å; G81-S83 PolarHBondContact O-N 2.73Å; G81-F84 PolarHBondContact O-N 2.92Å; G81-T85 WeakPolarHBondContact O-CB 3.4Å; G81-T85 WeakPolarHBondContact O-CG2 3.47Å; G81-T85 PolarHBondContact O-N 3.09Å; G81-T85 PolarHBondContact O-OG1 3.32Å
82E84.9Confident84.8Confident82 Ų82105.2 Ų105.238%0.38351%0.514SS..Hα-helixtrans-55-42.2174.4-125.2-152.712100111.8Y78 G79 V80 F84 Q87Y78-E82 HydrophobicContact CD1-CG 4.47Å; Y78-E82 HydrophobicContact CE1-CG 4Å; Y78-E82 WeakPolarHBondContact O-CB 3.44Å; Y78-E82 PolarHBondContact O-N 2.64Å; G79-E82 PolarHBondContact O-N 3.17Å; V80-E82 PolarHBondContact O-N 3.02Å; E82-F84 PolarHBondContact O-N 3.39Å; E82-Q87 PolarHBondContact O-NE2 2.91Å; E82-Q87 PolarHBondContact OE1-NE2 3.44Å; E82-Q87 PolarHBondContact OE1-OE1 3.45Å
83S81.1Confident84Confident84 Ų84105.7 Ų105.759%0.58751%0.509SS*.Hα-helixtrans-67.4-22.4-177.473.70000113.8G79 V80 G81G79-S83 PolarHBondContact O-N 2.8Å; G79-S83 VanDerWaalsContact O-N 3.13Å; V80-S83 PolarHBondContact O-N 3.27Å; V80-S83 PolarHBondContact O-OG 3.4Å; G81-S83 VanDerWaalsContact C-N 3.26Å; G81-S83 PolarHBondContact O-N 2.73Å
84F76.9Confident83.2Confident171 Ų171106.1 Ų106.175%0.7552%0.516SS*.Hα-helixtrans-109.5-14.2-176.6-64.9-68.2000114.2V80 G81 E82V80-F84 HydrophobicContact CG1-CD2 4.12Å; V80-F84 HydrophobicContact CG1-CE2 3.89Å; V80-F84 WeakPolarHBondContact O-CD2 3.44Å; G81-F84 PolarHBondContact O-N 2.92Å; E82-F84 PolarHBondContact O-N 3.39Å
85T76.9Confident82.2Confident91 Ų91113.1 Ų113.156%0.55855%0.551SS**SBendtrans-109.6151.7-174.359.20000111.8G81 Q87G81-T85 WeakPolarHBondContact O-CB 3.4Å; G81-T85 WeakPolarHBondContact O-CG2 3.47Å; G81-T85 PolarHBondContact O-N 3.09Å; G81-T85 PolarHBondContact O-OG1 3.32Å; T85-Q87 PolarHBondContact O-N 2.91Å
86V73.6Confident81.1Confident141 Ų141115.9 Ų115.986%0.85557%0.57SS**  trans-64.8121.4173.31790000108.1R88V86-R88 PolarHBondContact O-N 3.48Å
87Q67.2Low80Confident100 Ų100116.1 Ų116.147%0.46757%0.573SS.*  trans-53.1123.3178-65.6-69.3-11.800110.4E82 T85 R89E82-Q87 PolarHBondContact O-NE2 2.91Å; E82-Q87 PolarHBondContact OE1-NE2 3.44Å; E82-Q87 PolarHBondContact OE1-OE1 3.45Å; T85-Q87 PolarHBondContact O-N 2.91Å; Q87-R89 PolarHBondContact O-N 2.97Å; Q87-R89 VanDerWaalsContact O-N 3.14Å
88R62.9Low78.8Confident251 Ų251119.8 Ų119.895%0.94759%0.589SS**  trans-68.4110.2171.7-84.1-179.1166.3176.3-3.7107.7V86V86-R88 PolarHBondContact O-N 3.48Å
89R57.6Low77.4Confident315 Ų315123.6 Ų123.6100%1.18962%0.615SS**  trans-67.30169.5-78.8-175.3175.9-175.7-1.3111.4Q87Q87-R89 PolarHBondContact O-N 2.97Å; Q87-R89 VanDerWaalsContact O-N 3.14Å

Retrieved 89 of 89 residues in 20.7 ms (Link to these results)

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