A0A076VEF9_HUMAN Loading...

MHC class II antigen

AlphaFold DB (A0A678ZUG9), UniProt , Accession A0A076VEF9, Species HUMAN (Homo sapiens, Human), Gene HLA-DR9, 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
1R85.4Confident95.9Very high284 Ų284107.3 Ų107.3100%1.07248%0.48SS*.  0132.50-179.2177.3179.6-179.50.6107.4
2F91.4Very high95.8Very high154 Ų154104 Ų10468%0.67547%0.465SS*.  trans-95.3147.7177.7-58.7-78.1000110.4Y27 N28F2-Y27 HydrophobicContact CB-CE2 4.45Å; F2-Y27 HydrophobicContact CD1-CE1 4.19Å; F2-Y27 AromaticContact CD1-CZ 3.68Å; F2-Y27 WeakPolarHBondContact CD1-OH 3.31Å; F2-Y27 WeakPolarHBondContact CE1-OH 3.33Å; F2-N28 WeakPolarHBondContact CA-OD1 3.45Å
3L96.6Very high95.7Very high86 Ų86103.2 Ų103.245%0.4546%0.461SS..  trans-134.1127174.7-17869000109.5Q5 N28L3-Q5 HydrophobicContact CD1-CG 4.43Å; L3-Q5 HydrophobicContact CD2-CG 4.04Å; L3-Q5 HydrophobicContact CG-CG 3.97Å; L3-N28 PolarHBondContact N-OD1 3.41Å; L3-N28 PolarHBondContact O-N 3.26Å
4K96Very high95.3Very high147 Ų147105.7 Ų105.764%0.63948%0.481SS*.EExtended strand (participates in β ladder)trans-113133.7169.6-175.3-179.6175.9-176.20108.9I26K4-I26 CarbonylContact C-O 3.59Å; K4-I26 WeakPolarHBondContact CA-O 3.34Å
5Q98Very high94.8Very high80 Ų80100.8 Ų100.837%0.37447%0.471SS..EExtended strand (participates in β ladder)trans-132.3144.5175.8-54.2179.7-84.600109.6L3 I26L3-Q5 HydrophobicContact CD1-CG 4.43Å; L3-Q5 HydrophobicContact CD2-CG 4.04Å; L3-Q5 HydrophobicContact CG-CG 3.97Å; Q5-I26 HydrophobicContact CB-CB 4.29Å; Q5-I26 PolarHBondContact N-O 2.63Å; Q5-I26 PolarHBondContact O-N 3.24Å
6D97.4Very high94.7Very high69 Ų6998.1 Ų98.137%0.36946%0.463SS..EExtended strand (participates in β ladder)trans-120125.8170.3-75.6-80000107.4F8 H23 R24D6-F8 HydrophobicContact CB-CE2 4.16Å; D6-F8 HydrophobicContact CB-CZ 4.33Å; D6-H23 IonicContact OD1-CD2 2.62Å; D6-H23 IonicContact OD1-CE1 2.82Å; D6-H23 PolarHBondContact OD1-CE1 3.05Å; D6-H23 IonicContact OD1-NE2 3.74Å; D6-H23 PolarHBondContact OD1-NE2 3.03Å; D6-R24 WeakPolarHBondContact CA-O 3.39Å
7K98.2Very high94.6Very high93 Ų93101.1 Ų101.140%0.40448%0.477SS..EExtended strand (participates in β ladder)trans-111.6127.5175.3-70.3-169.9173.2-173.10110E9 H23 R24 I26K7-E9 HydrophobicContact CB-CG 4.19Å; K7-H23 CarbonylContact O-C 3.58Å; K7-H23 VanDerWaalsContact O-CA 3.3Å; K7-H23 WeakPolarHBondContact O-CA 3.28Å; K7-R24 HydrophobicContact CB-CB 4.35Å; K7-R24 PolarHBondContact N-O 3.26Å; K7-R24 PolarHBondContact O-N 2.7Å; K7-I26 HydrophobicContact CD-CD1 4.02Å; K7-I26 HydrophobicContact CG-CD1 4.2Å
8F98.1Very high94.7Very high115 Ų115103.4 Ų103.450%0.50448%0.48SS..EExtended strand (participates in β ladder)trans-110.5107.1172.8-58.1-72.7000107.3D6 Y21 L22 H23D6-F8 HydrophobicContact CB-CE2 4.16Å; D6-F8 HydrophobicContact CB-CZ 4.33Å; F8-Y21 HydrophobicContact CB-CE2 4.28Å; F8-Y21 HydrophobicContact CD1-CE2 4.36Å; F8-Y21 WeakPolarHBondContact CD1-OH 3.36Å; F8-L22 CarbonylContact C-O 3.5Å; F8-L22 WeakPolarHBondContact CA-O 3.47Å; F8-H23 HydrophobicContact CD1-CB 3.89Å; F8-H23 AromaticContact CD1-CD2 3.48Å; F8-H23 VanDerWaalsContact CD1-CD2 3.48Å; F8-H23 WeakPolarHBondContact CD1-CD2 3.42Å; F8-H23 AromaticContact CD1-CG 3.81Å; F8-H23 HydrophobicContact CE1-CB 3.96Å; F8-H23 AromaticContact CE1-CD2 3.06Å; F8-H23 WeakPolarHBondContact CE1-CD2 3.37Å; F8-H23 AromaticContact CE1-CG 3.42Å; F8-H23 VanDerWaalsContact CE1-CG 3.42Å; F8-H23 AromaticContact CE1-NE2 3.61Å; F8-H23 AromaticContact CZ-CD2 3.6Å; F8-H23 AromaticContact CZ-NE2 3.74Å
9E98.4Very high94.9Very high43 Ų4398.4 Ų98.420%0.20146%0.458CS..EExtended strand (participates in β ladder)trans-116.2138.8-172.2-51.7176.3-167.500109.7K7 H11 Y21 L22 R24K7-E9 HydrophobicContact CB-CG 4.19Å; E9-H11 IonicContact OE2-CE1 3.87Å; E9-H11 IonicContact OE2-NE2 3.04Å; E9-H11 PolarHBondContact OE2-NE2 3.05Å; E9-Y21 WeakPolarHBondContact O-CA 3.45Å; E9-Y21 WeakPolarHBondContact O-CD2 2.92Å; E9-L22 HydrophobicContact CB-CB 4.26Å; E9-L22 PolarHBondContact N-O 3.41Å; E9-L22 PolarHBondContact O-N 2.95Å; E9-R24 WeakPolarHBondContact OE1-CD 3.47Å; E9-R24 IonicContact OE1-CZ 3.95Å; E9-R24 IonicContact OE1-NH1 3.89Å; E9-R24 PolarHBondContact OE1-NH1 3.27Å
10C98.1Very high95.1Very high41 Ų4196.7 Ų96.728%0.27745%0.447SS..EExtended strand (participates in β ladder)trans-119.3119173.1-63.60000108.4F12 C74C10-F12 HydrophobicContact CB-CD2 4.33Å; C10-F12 HydrophobicContact CB-CE2 3.42Å; C10-F12 VanDerWaalsContact CB-CE2 3.42Å; C10-F12 HydrophobicContact CB-CZ 3.59Å; C10-C74 HydrophobicContact CB-CB 3.6Å; C10-C74 WeakPolarHBondContact CB-SG 3.34Å; C10-C74 WeakPolarHBondContact SG-CA 3.36Å; C10-C74 WeakPolarHBondContact SG-CB 3.45Å; C10-C74 CovalentContact SG-SG 2.03Å; C10-C74 PolarHBondContact SG-SG 3.04Å
11H97.1Very high95.3Very high68 Ų6892.2 Ų92.232%0.31543%0.426SS..EExtended strand (participates in β ladder)trans-107.6119.3-179.2-68.5-147.7000107.9E9 F13 V19 R20E9-H11 IonicContact OE2-CE1 3.87Å; E9-H11 IonicContact OE2-NE2 3.04Å; E9-H11 PolarHBondContact OE2-NE2 3.05Å; H11-F13 HydrophobicContact CB-CE2 4.05Å; H11-F13 HydrophobicContact CB-CZ 4.33Å; H11-V19 WeakPolarHBondContact O-CA 3.42Å; H11-R20 HydrophobicContact CB-CB 4.33Å; H11-R20 PolarHBondContact N-O 2.99Å; H11-R20 PolarHBondContact O-N 3.14Å
12F95Very high95.9Very high68 Ų6879.1 Ų79.130%0.29838%0.377SS..EExtended strand (participates in β ladder)trans-108.9131.8-173.1-63.1-86.4000110C10 G15 T16 V19 C74 Y78C10-F12 HydrophobicContact CB-CD2 4.33Å; C10-F12 HydrophobicContact CB-CE2 3.42Å; C10-F12 VanDerWaalsContact CB-CE2 3.42Å; C10-F12 HydrophobicContact CB-CZ 3.59Å; F12-G15 WeakPolarHBondContact CB-O 3.43Å; F12-T16 HydrophobicContact CD1-CG2 4.39Å; F12-V19 HydrophobicContact CD1-CB 4.47Å; F12-V19 HydrophobicContact CD1-CG1 4.02Å; F12-V19 HydrophobicContact CD1-CG2 3.74Å; F12-V19 HydrophobicContact CE1-CG1 3.79Å; F12-V19 HydrophobicContact CE1-CG2 4.01Å; F12-V19 HydrophobicContact CZ-CG1 4.44Å; F12-C74 HydrophobicContact CE1-CB 4.21Å; F12-C74 HydrophobicContact CZ-CB 3.95Å; F12-C74 WeakPolarHBondContact CZ-O 3.49Å; F12-Y78 HydrophobicContact CB-CE2 4.38Å; F12-Y78 AromaticContact CD1-CD2 3.6Å; F12-Y78 HydrophobicContact CD1-CD2 3.6Å; F12-Y78 HydrophobicContact CD1-CE2 4.14Å; F12-Y78 HydrophobicContact CD1-CG 4.1Å; F12-Y78 AromaticContact CD2-CD2 3.92Å; F12-Y78 HydrophobicContact CD2-CD2 3.92Å; F12-Y78 HydrophobicContact CD2-CE2 4.35Å; F12-Y78 AromaticContact CE1-CD2 3.61Å; F12-Y78 HydrophobicContact CE1-CD2 3.61Å; F12-Y78 AromaticContact CE1-CG 3.82Å; F12-Y78 HydrophobicContact CE1-CG 3.82Å; 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 4.04Å; F12-Y78 AromaticContact CZ-CD2 3.77Å; F12-Y78 HydrophobicContact CZ-CD2 3.77Å; F12-Y78 HydrophobicContact CZ-CG 4.16Å
13F93.9Very high96.2Very high94 Ų9471.9 Ų71.941%0.41235%0.346SS..EExtended strand (participates in β ladder)trans-125.7128177.1-54.9-89.3000108.8H11 R18H11-F13 HydrophobicContact CB-CE2 4.05Å; H11-F13 HydrophobicContact CB-CZ 4.33Å; F13-R18 HydrophobicContact CB-CB 4.25Å; F13-R18 HydrophobicContact CD2-CG 4.27Å; F13-R18 PolarHBondContact N-O 3.19Å; F13-R18 PolarHBondContact O-N 3.43Å
14N91Very high96.3Very high138 Ų13870.6 Ų70.674%0.73834%0.335SS*.THydrogen-bonded Turntrans50.458.8-174.7-59.7-17.6000112T16 E17N14-T16 PolarHBondContact O-N 3.49Å; N14-E17 HydrophobicContact CB-CB 4.31Å; N14-E17 WeakPolarHBondContact CB-OE2 3.23Å; N14-E17 PolarHBondContact ND2-OE2 3.44Å; N14-E17 WeakPolarHBondContact O-CB 3.44Å; N14-E17 PolarHBondContact O-N 3.4Å
15G88Confident96.4Very high32 Ų3263.7 Ų63.733%0.3331%0.306SS..THydrogen-bonded Turntrans68.1-125.3-171.900000111F12F12-G15 WeakPolarHBondContact CB-O 3.43Å
16T93.2Very high96.4Very high58 Ų5860.5 Ų60.536%0.35629%0.291SS..THydrogen-bonded Turntrans-103.211.2179.959.50000114F12 N14 R75 Y78F12-T16 HydrophobicContact CD1-CG2 4.39Å; N14-T16 PolarHBondContact O-N 3.49Å; T16-R75 HydrophobicContact CG2-CG 4.5Å; T16-R75 PolarHBondContact O-NE 3.26Å; T16-Y78 HydrophobicContact CG2-CD1 3.39Å; T16-Y78 HydrophobicContact CG2-CE1 3.82Å; T16-Y78 HydrophobicContact CG2-CG 3.82Å
17E92.8Very high96.4Very high149 Ų14961.2 Ų61.270%0.69629%0.289SS*.THydrogen-bonded Turntrans-58.3-54.3179.2-174.1-176.4-177.300110.3N14N14-E17 HydrophobicContact CB-CB 4.31Å; N14-E17 WeakPolarHBondContact CB-OE2 3.23Å; N14-E17 PolarHBondContact ND2-OE2 3.44Å; N14-E17 WeakPolarHBondContact O-CB 3.44Å; N14-E17 PolarHBondContact O-N 3.4Å
18R96.7Very high96.3Very high142 Ų14260 Ų6054%0.53629%0.287SS..EExtended strand (participates in β ladder)trans-119.3124.5170.9-178.4179.7175.8-173.8-1.4110.1F13 D38F13-R18 HydrophobicContact CB-CB 4.25Å; F13-R18 HydrophobicContact CD2-CG 4.27Å; F13-R18 PolarHBondContact N-O 3.19Å; F13-R18 PolarHBondContact O-N 3.43Å; R18-D38 IonicContact NH2-OD2 2.95Å; R18-D38 PolarHBondContact NH2-OD2 3.01Å
19V98Very high96.1Very high9 Ų962.9 Ų62.96%0.05530%0.302CS..EExtended strand (participates in β ladder)trans-126.8129.3-179.9-175.60000108.5H11 F12 V70 C74 R75H11-V19 WeakPolarHBondContact O-CA 3.42Å; F12-V19 HydrophobicContact CD1-CB 4.47Å; F12-V19 HydrophobicContact CD1-CG1 4.02Å; F12-V19 HydrophobicContact CD1-CG2 3.74Å; F12-V19 HydrophobicContact CE1-CG1 3.79Å; F12-V19 HydrophobicContact CE1-CG2 4.01Å; F12-V19 HydrophobicContact CZ-CG1 4.44Å; V19-V70 HydrophobicContact CB-CG1 3.79Å; V19-V70 HydrophobicContact CG1-CG1 3.91Å; V19-V70 WeakPolarHBondContact O-CG1 3.42Å; V19-C74 HydrophobicContact CG1-CB 3.49Å; V19-C74 VanDerWaalsContact CG1-CB 3.49Å; V19-R75 HydrophobicContact CG2-CG 3.89Å
20R98.4Very high96Very high64 Ų6465.6 Ų65.624%0.24232%0.315CS..EExtended strand (participates in β ladder)trans-116.5127.2175-179.2-179.7179.2-165.44.7109.6H11 D36 S37H11-R20 HydrophobicContact CB-CB 4.33Å; H11-R20 PolarHBondContact N-O 2.99Å; H11-R20 PolarHBondContact O-N 3.14Å; R20-D36 IonicContact CZ-OD1 3.29Å; R20-D36 IonicContact CZ-OD2 2.75Å; R20-D36 IonicContact NE-OD1 3Å; R20-D36 PolarHBondContact NE-OD1 2.84Å; R20-D36 IonicContact NE-OD2 2.68Å; R20-D36 PolarHBondContact NE-OD2 2.92Å; R20-D36 IonicContact NH2-OD1 3.96Å; R20-D36 IonicContact NH2-OD2 2.95Å; R20-D36 PolarHBondContact NH2-OD2 2.9Å; R20-S37 WeakPolarHBondContact CA-OG 3.48Å
21Y98.7Very high96.1Very high3 Ų364.7 Ų64.71%0.01231%0.307CS..EExtended strand (participates in β ladder)trans-103.2133.4176.1170.6-111.3000110.3F8 E9 H23 F35 S37 R66 E69F8-Y21 HydrophobicContact CB-CE2 4.28Å; F8-Y21 HydrophobicContact CD1-CE2 4.36Å; F8-Y21 WeakPolarHBondContact CD1-OH 3.36Å; E9-Y21 WeakPolarHBondContact O-CA 3.45Å; E9-Y21 WeakPolarHBondContact O-CD2 2.92Å; Y21-H23 HydrophobicContact CE1-CB 4.43Å; Y21-F35 AromaticContact CD1-CD1 3.86Å; Y21-F35 HydrophobicContact CD1-CD1 3.86Å; Y21-F35 AromaticContact CD1-CE1 3.82Å; Y21-F35 HydrophobicContact CD1-CE1 3.82Å; Y21-F35 AromaticContact CE1-CD1 3.89Å; Y21-F35 HydrophobicContact CE1-CD1 3.89Å; Y21-F35 HydrophobicContact CE1-CE1 4.14Å; Y21-S37 PolarHBondContact N-OG 3.22Å; Y21-S37 PolarHBondContact O-N 3.18Å; Y21-S37 PolarHBondContact O-OG 3.27Å; Y21-R66 PolarHBondContact OH-NH1 3.23Å; Y21-E69 HydrophobicContact CD1-CB 3.92Å; Y21-E69 HydrophobicContact CD2-CB 4.44Å; Y21-E69 HydrophobicContact CE1-CB 3.81Å; Y21-E69 WeakPolarHBondContact CE1-OE2 3.01Å; Y21-E69 HydrophobicContact CE2-CB 4.36Å; Y21-E69 HydrophobicContact CG-CB 4.22Å; Y21-E69 PolarHBondContact OH-OE2 3.42Å
22L98.6Very high96.1Very high8 Ų862.5 Ų62.54%0.04230%0.297CS..EExtended strand (participates in β ladder)trans-125.3131.5175.8-62.7174.9000110.1F8 E9 F35 D36F8-L22 CarbonylContact C-O 3.5Å; F8-L22 WeakPolarHBondContact CA-O 3.47Å; E9-L22 HydrophobicContact CB-CB 4.26Å; E9-L22 PolarHBondContact N-O 3.41Å; E9-L22 PolarHBondContact O-N 2.95Å; L22-F35 WeakPolarHBondContact CA-O 3.49Å; L22-D36 HydrophobicContact CD2-CB 3.76Å; L22-D36 VanDerWaalsContact CD2-CG 3.5Å
23H98.6Very high96.3Very high2 Ų259.3 Ų59.31%0.00928%0.284CS..EExtended strand (participates in β ladder)trans-111.6125.1159.8171.5-132.5000109.1D6 K7 F8 Y21 R34 F35 Y42 W56D6-H23 IonicContact OD1-CD2 2.62Å; D6-H23 IonicContact OD1-CE1 2.82Å; D6-H23 PolarHBondContact OD1-CE1 3.05Å; D6-H23 IonicContact OD1-NE2 3.74Å; D6-H23 PolarHBondContact OD1-NE2 3.03Å; K7-H23 CarbonylContact O-C 3.58Å; K7-H23 VanDerWaalsContact O-CA 3.3Å; K7-H23 WeakPolarHBondContact O-CA 3.28Å; F8-H23 HydrophobicContact CD1-CB 3.89Å; F8-H23 AromaticContact CD1-CD2 3.48Å; F8-H23 VanDerWaalsContact CD1-CD2 3.48Å; F8-H23 WeakPolarHBondContact CD1-CD2 3.42Å; F8-H23 AromaticContact CD1-CG 3.81Å; F8-H23 HydrophobicContact CE1-CB 3.96Å; F8-H23 AromaticContact CE1-CD2 3.06Å; F8-H23 WeakPolarHBondContact CE1-CD2 3.37Å; F8-H23 AromaticContact CE1-CG 3.42Å; F8-H23 VanDerWaalsContact CE1-CG 3.42Å; F8-H23 AromaticContact CE1-NE2 3.61Å; F8-H23 AromaticContact CZ-CD2 3.6Å; F8-H23 AromaticContact CZ-NE2 3.74Å; Y21-H23 HydrophobicContact CE1-CB 4.43Å; H23-R34 CarbonylContact O-C 3.54Å; H23-R34 VanDerWaalsContact O-CA 3.26Å; H23-R34 WeakPolarHBondContact O-CA 3.39Å; H23-F35 HydrophobicContact CB-CB 4.21Å; H23-F35 PolarHBondContact N-O 3.41Å; H23-F35 PolarHBondContact O-N 2.87Å; H23-Y42 AromaticContact ND1-CE1 3.31Å; H23-Y42 VanDerWaalsContact ND1-CE1 3.31Å; H23-Y42 WeakPolarHBondContact ND1-CE1 3.46Å; H23-Y42 AromaticContact ND1-CZ 3.55Å; H23-Y42 PolarHBondContact ND1-OH 2.93Å; H23-W56 AromaticContact CE1-CH2 3.75Å; H23-W56 AromaticContact CE1-CZ3 3.65Å; H23-W56 AromaticContact ND1-CZ3 3.99Å
24R98.6Very high96.5Very high59 Ų5958.5 Ų58.522%0.22328%0.278CS..EExtended strand (participates in β ladder)trans-122120.4-177.7-56.7171.161.9-159.51.7110.2D6 K7 E9 E31 R34D6-R24 WeakPolarHBondContact CA-O 3.39Å; K7-R24 HydrophobicContact CB-CB 4.35Å; K7-R24 PolarHBondContact N-O 3.26Å; K7-R24 PolarHBondContact O-N 2.7Å; E9-R24 WeakPolarHBondContact OE1-CD 3.47Å; E9-R24 IonicContact OE1-CZ 3.95Å; E9-R24 IonicContact OE1-NH1 3.89Å; E9-R24 PolarHBondContact OE1-NH1 3.27Å; R24-E31 HydrophobicContact CB-CG 4.38Å; R24-E31 WeakPolarHBondContact CG-OE1 3.43Å; R24-E31 IonicContact CZ-OE2 3.22Å; R24-E31 VanDerWaalsContact NE-CD 3.28Å; R24-E31 IonicContact NE-OE1 2.85Å; R24-E31 PolarHBondContact NE-OE1 2.78Å; R24-E31 IonicContact NE-OE2 3.55Å; R24-E31 PolarHBondContact NE-OE2 3.1Å; R24-E31 IonicContact NH2-OE2 2.72Å; R24-E31 PolarHBondContact NH2-OE2 3.23Å; R24-R34 HydrophobicContact CG-CG 4.38Å
25G98.1Very high96.9Very high3 Ų351.9 Ų51.93%0.03124%0.242CC..EExtended strand (participates in β ladder)trans-90.4122.1170.800000110.3E31 N32 V33G25-E31 CarbonylContact O-C 3.56Å; G25-E31 WeakPolarHBondContact O-CA 3.43Å; G25-N32 PolarHBondContact O-N 3.18Å; G25-N32 PolarHBondContact O-OD1 3.36Å; G25-N32 VanDerWaalsContact O-OD1 3.05Å; G25-V33 PolarHBondContact N-O 3.04Å
26I98.3Very high97.4Very high13 Ų1351.1 Ų51.17%0.06723%0.231CC..EExtended strand (participates in β ladder)trans-124.8124.4-174-56.6168000109.2K4 Q5 K7 E30 E31K4-I26 CarbonylContact C-O 3.59Å; K4-I26 WeakPolarHBondContact CA-O 3.34Å; Q5-I26 HydrophobicContact CB-CB 4.29Å; Q5-I26 PolarHBondContact N-O 2.63Å; Q5-I26 PolarHBondContact O-N 3.24Å; K7-I26 HydrophobicContact CD-CD1 4.02Å; K7-I26 HydrophobicContact CG-CD1 4.2Å; I26-E30 CarbonylContact C-O 3.48Å; I26-E30 WeakPolarHBondContact CA-O 3.46Å; I26-E31 HydrophobicContact CG1-CB 4.21Å; I26-E31 HydrophobicContact CG1-CG 4.38Å
27Y96.4Very high97.6Very high83 Ų8349.7 Ų49.733%0.32522%0.223SC..EExtended strand (participates in β ladder)trans-118.5118.7176.4-171.3-104000109.8F2 Q29 E30 L48F2-Y27 HydrophobicContact CB-CE2 4.45Å; F2-Y27 HydrophobicContact CD1-CE1 4.19Å; F2-Y27 AromaticContact CD1-CZ 3.68Å; F2-Y27 WeakPolarHBondContact CD1-OH 3.31Å; F2-Y27 WeakPolarHBondContact CE1-OH 3.33Å; Y27-Q29 VanDerWaalsContact C-N 3.28Å; Y27-Q29 PolarHBondContact O-N 3.32Å; Y27-E30 PolarHBondContact N-O 2.87Å; Y27-E30 WeakPolarHBondContact O-CB 2.94Å; Y27-E30 PolarHBondContact O-N 3.11Å; Y27-L48 HydrophobicContact CD1-CD2 4.27Å
28N95.4Very high97.9Very high68 Ų6846.5 Ų46.536%0.36421%0.211SC..THydrogen-bonded Turntrans48.946.8-176.9-64.5-24.7000113.4F2 L3 E30F2-N28 WeakPolarHBondContact CA-OD1 3.45Å; L3-N28 PolarHBondContact N-OD1 3.41Å; L3-N28 PolarHBondContact O-N 3.26Å; N28-E30 PolarHBondContact O-N 3.22Å
29Q95.1Very high98Very high175 Ų17542.8 Ų42.882%0.81820%0.204SC*.THydrogen-bonded Turntrans71.6-8.2-177-49.9173.8-2500115.5Y27Y27-Q29 VanDerWaalsContact C-N 3.28Å; Y27-Q29 PolarHBondContact O-N 3.32Å
30E97Very high98Very high101 Ų10142.9 Ų42.947%0.47221%0.206SC..EExtended strand (participates in β ladder)trans-88.2121.7172.6-171.5-173.3137.800110I26 Y27 N28 N32 T46I26-E30 CarbonylContact C-O 3.48Å; I26-E30 WeakPolarHBondContact CA-O 3.46Å; Y27-E30 PolarHBondContact N-O 2.87Å; Y27-E30 WeakPolarHBondContact O-CB 2.94Å; Y27-E30 PolarHBondContact O-N 3.11Å; N28-E30 PolarHBondContact O-N 3.22Å; E30-N32 PolarHBondContact O-N 3.05Å; E30-T46 HydrophobicContact CG-CG2 4.08Å; E30-T46 VanDerWaalsContact OE1-CB 3.23Å; E30-T46 WeakPolarHBondContact OE1-CB 3.32Å; E30-T46 WeakPolarHBondContact OE1-CG2 3.34Å; E30-T46 PolarHBondContact OE1-OG1 2.84Å
31E98.3Very high98Very high21 Ų2143.2 Ų43.210%0.09821%0.211CC..EExtended strand (participates in β ladder)trans-74.9120170.9-175.2178.6174.100109.7R24 G25 I26 R34 V45R24-E31 HydrophobicContact CB-CG 4.38Å; R24-E31 WeakPolarHBondContact CG-OE1 3.43Å; R24-E31 IonicContact CZ-OE2 3.22Å; R24-E31 VanDerWaalsContact NE-CD 3.28Å; R24-E31 IonicContact NE-OE1 2.85Å; R24-E31 PolarHBondContact NE-OE1 2.78Å; R24-E31 IonicContact NE-OE2 3.55Å; R24-E31 PolarHBondContact NE-OE2 3.1Å; R24-E31 IonicContact NH2-OE2 2.72Å; R24-E31 PolarHBondContact NH2-OE2 3.23Å; G25-E31 CarbonylContact O-C 3.56Å; G25-E31 WeakPolarHBondContact O-CA 3.43Å; I26-E31 HydrophobicContact CG1-CB 4.21Å; I26-E31 HydrophobicContact CG1-CG 4.38Å; E31-R34 WeakPolarHBondContact OE1-CB 3.46Å; E31-R34 IonicContact OE1-CZ 3.47Å; E31-R34 VanDerWaalsContact OE1-CZ 3.22Å; E31-R34 IonicContact OE1-NE 3.38Å; E31-R34 PolarHBondContact OE1-NE 2.99Å; E31-R34 IonicContact OE1-NH2 3.96Å; E31-R34 PolarHBondContact OE1-NH2 2.86Å; E31-R34 IonicContact OE2-CZ 2.8Å; E31-R34 IonicContact OE2-NE 3.33Å; E31-R34 IonicContact OE2-NH2 3.83Å; E31-R34 PolarHBondContact OE2-NH2 2.91Å; E31-V45 HydrophobicContact CB-CG1 4.48Å; E31-V45 HydrophobicContact CG-CB 4.41Å; E31-V45 HydrophobicContact CG-CG2 4.07Å; E31-V45 WeakPolarHBondContact O-CB 3.46Å; E31-V45 WeakPolarHBondContact O-CG1 3.45Å
32N97.9Very high98Very high22 Ų2243.2 Ų43.212%0.11821%0.21CC..EExtended strand (participates in β ladder)trans-104-29.2-176.459.817.4000112.9G25 E30 V45 T46 L48 G49G25-N32 PolarHBondContact O-N 3.18Å; G25-N32 PolarHBondContact O-OD1 3.36Å; G25-N32 VanDerWaalsContact O-OD1 3.05Å; E30-N32 PolarHBondContact O-N 3.05Å; N32-V45 PolarHBondContact O-N 3.41Å; N32-T46 PolarHBondContact O-N 3.47Å; N32-L48 HydrophobicContact CB-CB 4.46Å; N32-G49 WeakPolarHBondContact O-CA 3.02Å
33V98.6Very high98Very high2 Ų249.7 Ų49.71%0.01223%0.234CC..EExtended strand (participates in β ladder)trans-144.6145.3-179.471.90000111.1G25 Y42 R43 V52 A53 W56G25-V33 PolarHBondContact N-O 3.04Å; V33-Y42 HydrophobicContact CG2-CD1 4.01Å; V33-R43 WeakPolarHBondContact CA-O 3.26Å; V33-V52 HydrophobicContact CG1-CG1 4.09Å; V33-V52 HydrophobicContact CG2-CG1 4.41Å; V33-A53 HydrophobicContact CG2-CB 4.01Å; V33-W56 HydrophobicContact CG1-CH2 4.48Å; V33-W56 HydrophobicContact CG1-CZ3 3.95Å
34R98.7Very high98Very high76 Ų7651.6 Ų51.629%0.28725%0.251SS..EExtended strand (participates in β ladder)trans-138.7134.1179.8-178.7-179.9-63.2-177.93.4111.8H23 R24 E31 Y42 R43 V45H23-R34 CarbonylContact O-C 3.54Å; H23-R34 VanDerWaalsContact O-CA 3.26Å; H23-R34 WeakPolarHBondContact O-CA 3.39Å; R24-R34 HydrophobicContact CG-CG 4.38Å; E31-R34 WeakPolarHBondContact OE1-CB 3.46Å; E31-R34 IonicContact OE1-CZ 3.47Å; E31-R34 VanDerWaalsContact OE1-CZ 3.22Å; E31-R34 IonicContact OE1-NE 3.38Å; E31-R34 PolarHBondContact OE1-NE 2.99Å; E31-R34 IonicContact OE1-NH2 3.96Å; E31-R34 PolarHBondContact OE1-NH2 2.86Å; E31-R34 IonicContact OE2-CZ 2.8Å; E31-R34 IonicContact OE2-NE 3.33Å; E31-R34 IonicContact OE2-NH2 3.83Å; E31-R34 PolarHBondContact OE2-NH2 2.91Å; R34-Y42 CarbonylContact O-C 3.49Å; R34-Y42 VanDerWaalsContact O-CA 3.26Å; R34-Y42 WeakPolarHBondContact O-CA 3.46Å; R34-R43 PolarHBondContact N-O 2.8Å; R34-R43 PolarHBondContact O-N 3.12Å; R34-V45 HydrophobicContact CB-CG2 3.9Å
35F98.8Very high98Very high0 Ų052.2 Ų52.20%026%0.261CS..EExtended strand (participates in β ladder)trans-97.5138.7155178.6-88.9000109.2Y21 L22 H23 G40 Y42 L63 R66 R67Y21-F35 AromaticContact CD1-CD1 3.86Å; Y21-F35 HydrophobicContact CD1-CD1 3.86Å; Y21-F35 AromaticContact CD1-CE1 3.82Å; Y21-F35 HydrophobicContact CD1-CE1 3.82Å; Y21-F35 AromaticContact CE1-CD1 3.89Å; Y21-F35 HydrophobicContact CE1-CD1 3.89Å; Y21-F35 HydrophobicContact CE1-CE1 4.14Å; L22-F35 WeakPolarHBondContact CA-O 3.49Å; H23-F35 HydrophobicContact CB-CB 4.21Å; H23-F35 PolarHBondContact N-O 3.41Å; H23-F35 PolarHBondContact O-N 2.87Å; F35-G40 VanDerWaalsContact CE2-C 3.48Å; F35-Y42 HydrophobicContact CB-CD1 3.57Å; F35-Y42 HydrophobicContact CB-CD2 4.19Å; F35-Y42 HydrophobicContact CB-CE1 3.36Å; F35-Y42 HydrophobicContact CB-CE2 3.99Å; F35-Y42 HydrophobicContact CB-CG 4Å; F35-Y42 AromaticContact CD2-CD2 3.98Å; F35-Y42 HydrophobicContact CD2-CD2 3.98Å; F35-Y42 AromaticContact CD2-CE2 3.97Å; F35-Y42 HydrophobicContact CD2-CE2 3.97Å; F35-Y42 HydrophobicContact CD2-CG 4.4Å; F35-Y42 HydrophobicContact CG-CE1 4.47Å; F35-Y42 HydrophobicContact CG-CE2 4.32Å; F35-L63 HydrophobicContact CD2-CD1 4.06Å; F35-L63 HydrophobicContact CE2-CD1 3.66Å; F35-R66 HydrophobicContact CD1-CB 4.21Å; F35-R66 HydrophobicContact CD2-CB 4.04Å; F35-R66 HydrophobicContact CE1-CB 3.96Å; F35-R66 WeakPolarHBondContact CE1-O 3.46Å; F35-R66 HydrophobicContact CE2-CB 3.78Å; F35-R66 HydrophobicContact CG-CB 4.25Å; F35-R66 HydrophobicContact CZ-CB 3.74Å; F35-R67 HydrophobicContact CE2-CG 4.33Å; F35-R67 HydrophobicContact CZ-CG 3.91Å
36D98.7Very high97.9Very high16 Ų1654 Ų549%0.08627%0.271CS..EExtended strand (participates in β ladder)trans-133.5121.9177.1-175-11.4000108.9R20 L22 D38 V39 G40R20-D36 IonicContact CZ-OD1 3.29Å; R20-D36 IonicContact CZ-OD2 2.75Å; R20-D36 IonicContact NE-OD1 3Å; R20-D36 PolarHBondContact NE-OD1 2.84Å; R20-D36 IonicContact NE-OD2 2.68Å; R20-D36 PolarHBondContact NE-OD2 2.92Å; R20-D36 IonicContact NH2-OD1 3.96Å; R20-D36 IonicContact NH2-OD2 2.95Å; R20-D36 PolarHBondContact NH2-OD2 2.9Å; L22-D36 HydrophobicContact CD2-CB 3.76Å; L22-D36 VanDerWaalsContact CD2-CG 3.5Å; D36-D38 PolarHBondContact O-N 2.84Å; D36-D38 PolarHBondContact OD1-N 2.82Å; D36-D38 VanDerWaalsContact OD1-N 3.13Å; D36-V39 HydrophobicContact CB-CB 4.29Å; D36-V39 HydrophobicContact CB-CG2 3.97Å; D36-V39 CarbonylContact O-C 3.59Å; D36-V39 WeakPolarHBondContact O-CA 3.48Å; D36-V39 PolarHBondContact O-N 2.88Å; D36-G40 PolarHBondContact O-N 3.05Å
37S98.6Very high97.9Very high28 Ų2859.6 Ų59.620%0.19630%0.297CS..THydrogen-bonded Turntrans-61-28.5-177.861.50000113.2R20 Y21 V39 V70R20-S37 WeakPolarHBondContact CA-OG 3.48Å; Y21-S37 PolarHBondContact N-OG 3.22Å; Y21-S37 PolarHBondContact O-N 3.18Å; Y21-S37 PolarHBondContact O-OG 3.27Å; S37-V39 PolarHBondContact O-N 3.47Å; S37-V70 VanDerWaalsContact CB-CG2 3.44Å
38D98.2Very high97.8Very high82 Ų8260.5 Ų60.544%0.43931%0.307SS..THydrogen-bonded Turntrans-70.4-19.2177-73.59.7000111.3R18 D36R18-D38 IonicContact NH2-OD2 2.95Å; R18-D38 PolarHBondContact NH2-OD2 3.01Å; D36-D38 PolarHBondContact O-N 2.84Å; D36-D38 PolarHBondContact OD1-N 2.82Å; D36-D38 VanDerWaalsContact OD1-N 3.13Å
39V98.4Very high97.9Very high64 Ų6457.3 Ų57.339%0.38829%0.29SS..THydrogen-bonded Turntrans-101.6-36.3176.3-171.70000111.4D36 S37 E41D36-V39 HydrophobicContact CB-CB 4.29Å; D36-V39 HydrophobicContact CB-CG2 3.97Å; D36-V39 CarbonylContact O-C 3.59Å; D36-V39 WeakPolarHBondContact O-CA 3.48Å; D36-V39 PolarHBondContact O-N 2.88Å; S37-V39 PolarHBondContact O-N 3.47Å; V39-E41 HydrophobicContact CG1-CG 3.98Å
40G98.3Very high98.1Very high10 Ų1054.7 Ų54.710%0.10327%0.273CS..THydrogen-bonded Turntrans80.912.9177.800000115.1F35 D36 R67F35-G40 VanDerWaalsContact CE2-C 3.48Å; D36-G40 PolarHBondContact O-N 3.05Å; G40-R67 VanDerWaalsContact O-CZ 3.26Å; G40-R67 PolarHBondContact O-NE 3.08Å; G40-R67 PolarHBondContact O-NH2 3.44Å
41E98.6Very high98.2Very high72 Ų7253.8 Ų53.834%0.33628%0.276SS..EExtended strand (participates in β ladder)trans-149.6163.3177.770-175.5-174.500112.7V39 R43V39-E41 HydrophobicContact CG1-CG 3.98Å; E41-R43 HydrophobicContact CG-CG 4.42Å; E41-R43 IonicContact OE1-CZ 3.39Å; E41-R43 IonicContact OE1-NE 3.69Å; E41-R43 PolarHBondContact OE1-NE 2.83Å; E41-R43 IonicContact OE1-NH2 3.39Å; E41-R43 PolarHBondContact OE1-NH2 3.34Å
42Y98.7Very high98.1Very high2 Ų255 Ų551%0.00828%0.284CS..EExtended strand (participates in β ladder)trans-76.2134.4170.7-76.6-84.7000110.8H23 V33 R34 F35 W56 N57 F62 L63 R66H23-Y42 AromaticContact ND1-CE1 3.31Å; H23-Y42 VanDerWaalsContact ND1-CE1 3.31Å; H23-Y42 WeakPolarHBondContact ND1-CE1 3.46Å; H23-Y42 AromaticContact ND1-CZ 3.55Å; H23-Y42 PolarHBondContact ND1-OH 2.93Å; V33-Y42 HydrophobicContact CG2-CD1 4.01Å; R34-Y42 CarbonylContact O-C 3.49Å; R34-Y42 VanDerWaalsContact O-CA 3.26Å; R34-Y42 WeakPolarHBondContact O-CA 3.46Å; F35-Y42 HydrophobicContact CB-CD1 3.57Å; F35-Y42 HydrophobicContact CB-CD2 4.19Å; F35-Y42 HydrophobicContact CB-CE1 3.36Å; F35-Y42 HydrophobicContact CB-CE2 3.99Å; F35-Y42 HydrophobicContact CB-CG 4Å; F35-Y42 AromaticContact CD2-CD2 3.98Å; F35-Y42 HydrophobicContact CD2-CD2 3.98Å; F35-Y42 AromaticContact CD2-CE2 3.97Å; F35-Y42 HydrophobicContact CD2-CE2 3.97Å; F35-Y42 HydrophobicContact CD2-CG 4.4Å; F35-Y42 HydrophobicContact CG-CE1 4.47Å; F35-Y42 HydrophobicContact CG-CE2 4.32Å; Y42-W56 AromaticContact CD1-CE3 3.41Å; Y42-W56 HydrophobicContact CD1-CE3 3.41Å; Y42-W56 VanDerWaalsContact CD1-CE3 3.41Å; Y42-W56 AromaticContact CD1-CZ3 3.8Å; Y42-W56 HydrophobicContact CD1-CZ3 3.8Å; Y42-W56 HydrophobicContact CD2-CB 3.73Å; Y42-W56 AromaticContact CD2-CE3 3.97Å; Y42-W56 HydrophobicContact CD2-CE3 3.97Å; Y42-W56 HydrophobicContact CE1-CD2 4.41Å; Y42-W56 AromaticContact CE1-CE3 3.19Å; Y42-W56 HydrophobicContact CE1-CE3 3.19Å; Y42-W56 AromaticContact CE1-CZ3 3.3Å; Y42-W56 HydrophobicContact CE1-CZ3 3.3Å; Y42-W56 HydrophobicContact CE2-CB 4.08Å; Y42-W56 HydrophobicContact CE2-CD2 4.39Å; Y42-W56 AromaticContact CE2-CE3 3.79Å; Y42-W56 HydrophobicContact CE2-CE3 3.79Å; Y42-W56 HydrophobicContact CG-CB 4.22Å; Y42-W56 AromaticContact CG-CE3 3.77Å; Y42-W56 HydrophobicContact CG-CE3 3.77Å; Y42-W56 AromaticContact CZ-CE3 3.38Å; Y42-W56 AromaticContact CZ-CZ3 3.75Å; Y42-N57 WeakPolarHBondContact CB-OD1 3.23Å; Y42-N57 PolarHBondContact N-OD1 2.77Å; Y42-N57 PolarHBondContact O-ND2 3.46Å; Y42-F62 HydrophobicContact CD2-CE1 4.38Å; Y42-F62 HydrophobicContact CE2-CD1 4.19Å; Y42-F62 AromaticContact CE2-CE1 3.43Å; Y42-F62 HydrophobicContact CE2-CE1 3.43Å; Y42-F62 VanDerWaalsContact CE2-CE1 3.43Å; Y42-F62 HydrophobicContact CE2-CZ 4.22Å; Y42-F62 AromaticContact CZ-CE1 3.85Å; Y42-L63 HydrophobicContact CD2-CD1 4.38Å; Y42-R66 HydrophobicContact CE2-CG 3.98Å; Y42-R66 PolarHBondContact OH-NE 2.87Å
43R98.6Very high98.1Very high144 Ų14454.3 Ų54.354%0.54328%0.282SS..EExtended strand (participates in β ladder)trans-122.2137.3170.9-68.4-167.7170.9178.20.4110.4V33 R34 E41 V45V33-R43 WeakPolarHBondContact CA-O 3.26Å; R34-R43 PolarHBondContact N-O 2.8Å; R34-R43 PolarHBondContact O-N 3.12Å; E41-R43 HydrophobicContact CG-CG 4.42Å; E41-R43 IonicContact OE1-CZ 3.39Å; E41-R43 IonicContact OE1-NE 3.69Å; E41-R43 PolarHBondContact OE1-NE 2.83Å; E41-R43 IonicContact OE1-NH2 3.39Å; E41-R43 PolarHBondContact OE1-NH2 3.34Å; R43-V45 PolarHBondContact O-N 2.8Å
44A98.4Very high98.1Very high43 Ų4359.9 Ų59.936%0.35531%0.307SS..EExtended strand (participates in β ladder)trans-66.2126.6167.600000108.8R50 A53A44-R50 HydrophobicContact CB-CB 4.28Å; A44-A53 HydrophobicContact CB-CB 4.41Å
45V98.3Very high98.1Very high72 Ų7259 Ų5944%0.43631%0.313SS..SBendtrans-87.9-33.4172.7179.20000109.5E31 N32 R34 R43E31-V45 HydrophobicContact CB-CG1 4.48Å; E31-V45 HydrophobicContact CG-CB 4.41Å; E31-V45 HydrophobicContact CG-CG2 4.07Å; E31-V45 WeakPolarHBondContact O-CB 3.46Å; E31-V45 WeakPolarHBondContact O-CG1 3.45Å; N32-V45 PolarHBondContact O-N 3.41Å; R34-V45 HydrophobicContact CB-CG2 3.9Å; R43-V45 PolarHBondContact O-N 2.8Å
46T97.7Very high98.1Very high40 Ų4061.8 Ų61.825%0.24532%0.323CS..SBendtrans-131.7165.6171.1710000110.6E30 N32 L48 G49E30-T46 HydrophobicContact CG-CG2 4.08Å; E30-T46 VanDerWaalsContact OE1-CB 3.23Å; E30-T46 WeakPolarHBondContact OE1-CB 3.32Å; E30-T46 WeakPolarHBondContact OE1-CG2 3.34Å; E30-T46 PolarHBondContact OE1-OG1 2.84Å; N32-T46 PolarHBondContact O-N 3.47Å; T46-L48 PolarHBondContact O-N 2.83Å; T46-L48 VanDerWaalsContact O-N 3.12Å; T46-G49 PolarHBondContact O-N 2.95Å
47E97.1Very high98.1Very high131 Ų13162.5 Ų62.561%0.61233%0.327SS*.G310 helixtrans-56.3-32-176.6-70.6-58.1143.700113.1G49 R50E47-G49 PolarHBondContact O-N 2.77Å; E47-R50 VanDerWaalsContact CD-NH2 3.29Å; E47-R50 WeakPolarHBondContact O-CB 3.12Å; E47-R50 PolarHBondContact O-N 3.27Å; E47-R50 IonicContact OE1-NH2 3.29Å; E47-R50 PolarHBondContact OE1-NH2 2.84Å; E47-R50 IonicContact OE2-CZ 3.64Å; E47-R50 VanDerWaalsContact OE2-CZ 3.29Å; E47-R50 IonicContact OE2-NE 2.84Å; E47-R50 PolarHBondContact OE2-NE 2.85Å; E47-R50 IonicContact OE2-NH2 2.63Å; E47-R50 PolarHBondContact OE2-NH2 2.81Å
48L95.3Very high98.1Very high102 Ų10265 Ų6553%0.53435%0.345SS..G310 helixtrans-60.7-29.2176.7-174.166000112.7Y27 N32 T46Y27-L48 HydrophobicContact CD1-CD2 4.27Å; N32-L48 HydrophobicContact CB-CB 4.46Å; T46-L48 PolarHBondContact O-N 2.83Å; T46-L48 VanDerWaalsContact O-N 3.12Å
49G97.9Very high98.1Very high0 Ų065.5 Ų65.50%035%0.345CS..G310 helixtrans-83.4-12.2-179.700000114.9N32 T46 E47 V52 A53N32-G49 WeakPolarHBondContact O-CA 3.02Å; T46-G49 PolarHBondContact O-N 2.95Å; E47-G49 PolarHBondContact O-N 2.77Å; G49-V52 WeakPolarHBondContact O-CB 3.3Å; G49-V52 PolarHBondContact O-N 3.38Å; G49-V52 VanDerWaalsContact O-N 3.1Å; G49-A53 PolarHBondContact O-N 2.95Å
50R98.5Very high98.1Very high121 Ų12168.8 Ų68.846%0.45735%0.354SS..Hα-helixtrans-52.1-54.3-179.2-173.7-175.4-62.8-91.30.6113.4A44 E47 V52 A53 E54A44-R50 HydrophobicContact CB-CB 4.28Å; E47-R50 VanDerWaalsContact CD-NH2 3.29Å; E47-R50 WeakPolarHBondContact O-CB 3.12Å; E47-R50 PolarHBondContact O-N 3.27Å; E47-R50 IonicContact OE1-NH2 3.29Å; E47-R50 PolarHBondContact OE1-NH2 2.84Å; E47-R50 IonicContact OE2-CZ 3.64Å; E47-R50 VanDerWaalsContact OE2-CZ 3.29Å; E47-R50 IonicContact OE2-NE 2.84Å; E47-R50 PolarHBondContact OE2-NE 2.85Å; E47-R50 IonicContact OE2-NH2 2.63Å; E47-R50 PolarHBondContact OE2-NH2 2.81Å; R50-V52 PolarHBondContact O-N 3.33Å; R50-A53 PolarHBondContact O-N 2.83Å; R50-E54 WeakPolarHBondContact CG-OE1 3.26Å; R50-E54 WeakPolarHBondContact O-CG 3.48Å; R50-E54 PolarHBondContact O-N 3.18Å
51P98.2Very high98.1Very high82 Ų8275.3 Ų75.353%0.53239%0.386SS..Hα-helixtrans-63.8-30.3179.224.9-35.4000112.9S55P51-S55 VanDerWaalsContact O-CB 3.23Å; P51-S55 WeakPolarHBondContact O-CB 3.34Å; P51-S55 PolarHBondContact O-N 3.35Å
52V97.3Very high98Very high47 Ų4773.5 Ų73.529%0.28538%0.377SS..Hα-helixtrans-70.7-46.7178-176.70000110.5V33 G49 R50 S55 W56V33-V52 HydrophobicContact CG1-CG1 4.09Å; V33-V52 HydrophobicContact CG2-CG1 4.41Å; G49-V52 WeakPolarHBondContact O-CB 3.3Å; G49-V52 PolarHBondContact O-N 3.38Å; G49-V52 VanDerWaalsContact O-N 3.1Å; R50-V52 PolarHBondContact O-N 3.33Å; V52-S55 PolarHBondContact O-N 3.31Å; V52-W56 HydrophobicContact CG1-CD2 3.73Å; V52-W56 HydrophobicContact CG1-CE3 3.78Å; V52-W56 HydrophobicContact CG1-CG 4.44Å; V52-W56 HydrophobicContact CG1-CH2 3.85Å; V52-W56 HydrophobicContact CG1-CZ2 3.76Å; V52-W56 HydrophobicContact CG1-CZ3 3.85Å; V52-W56 WeakPolarHBondContact O-CB 3.38Å; V52-W56 PolarHBondContact O-N 3.26Å
53A98.5Very high98Very high7 Ų773.6 Ų73.66%0.05838%0.378CS..Hα-helixtrans-60.9-46.617800000111.6V33 A44 G49 R50 W56 N57V33-A53 HydrophobicContact CG2-CB 4.01Å; A44-A53 HydrophobicContact CB-CB 4.41Å; G49-A53 PolarHBondContact O-N 2.95Å; R50-A53 PolarHBondContact O-N 2.83Å; A53-W56 PolarHBondContact O-N 3.2Å; A53-N57 VanDerWaalsContact O-CB 3.28Å; A53-N57 WeakPolarHBondContact O-CB 3.1Å; A53-N57 PolarHBondContact O-N 2.99Å; A53-N57 PolarHBondContact O-ND2 3.2Å
54E98.4Very high98Very high119 Ų11971.5 Ų71.556%0.55637%0.374SS*.Hα-helixtrans-60.4-48.7177.2-72.1171.7-171.800111.6R50 W56 N57 S58R50-E54 WeakPolarHBondContact CG-OE1 3.26Å; R50-E54 WeakPolarHBondContact O-CG 3.48Å; R50-E54 PolarHBondContact O-N 3.18Å; E54-W56 PolarHBondContact O-N 2.8Å; E54-N57 PolarHBondContact O-N 3.24Å; E54-S58 WeakPolarHBondContact O-CB 3.32Å; E54-S58 PolarHBondContact O-N 3.42Å
55S98.3Very high98Very high58 Ų5876.3 Ų76.341%0.40638%0.383SS..Hα-helixtrans-59.7-44.4178.4-178.70000112.3P51 V52 S58 Q59P51-S55 VanDerWaalsContact O-CB 3.23Å; P51-S55 WeakPolarHBondContact O-CB 3.34Å; P51-S55 PolarHBondContact O-N 3.35Å; V52-S55 PolarHBondContact O-N 3.31Å; S55-S58 PolarHBondContact O-N 2.89Å; S55-S58 PolarHBondContact O-OG 3.01Å; S55-Q59 PolarHBondContact O-NE2 2.92Å; S55-Q59 VanDerWaalsContact O-NE2 3.14Å
56W98.3Very high98Very high57 Ų5774.2 Ų74.222%0.21637%0.367CS..Hα-helixtrans-74.1-36.4-178.7-71-5.2000113.1H23 V33 Y42 V52 A53 E54 S58 Q59 F62H23-W56 AromaticContact CE1-CH2 3.75Å; H23-W56 AromaticContact CE1-CZ3 3.65Å; H23-W56 AromaticContact ND1-CZ3 3.99Å; V33-W56 HydrophobicContact CG1-CH2 4.48Å; V33-W56 HydrophobicContact CG1-CZ3 3.95Å; Y42-W56 AromaticContact CD1-CE3 3.41Å; Y42-W56 HydrophobicContact CD1-CE3 3.41Å; Y42-W56 VanDerWaalsContact CD1-CE3 3.41Å; Y42-W56 AromaticContact CD1-CZ3 3.8Å; Y42-W56 HydrophobicContact CD1-CZ3 3.8Å; Y42-W56 HydrophobicContact CD2-CB 3.73Å; Y42-W56 AromaticContact CD2-CE3 3.97Å; Y42-W56 HydrophobicContact CD2-CE3 3.97Å; Y42-W56 HydrophobicContact CE1-CD2 4.41Å; Y42-W56 AromaticContact CE1-CE3 3.19Å; Y42-W56 HydrophobicContact CE1-CE3 3.19Å; Y42-W56 AromaticContact CE1-CZ3 3.3Å; Y42-W56 HydrophobicContact CE1-CZ3 3.3Å; Y42-W56 HydrophobicContact CE2-CB 4.08Å; Y42-W56 HydrophobicContact CE2-CD2 4.39Å; Y42-W56 AromaticContact CE2-CE3 3.79Å; Y42-W56 HydrophobicContact CE2-CE3 3.79Å; Y42-W56 HydrophobicContact CG-CB 4.22Å; Y42-W56 AromaticContact CG-CE3 3.77Å; Y42-W56 HydrophobicContact CG-CE3 3.77Å; Y42-W56 AromaticContact CZ-CE3 3.38Å; Y42-W56 AromaticContact CZ-CZ3 3.75Å; V52-W56 HydrophobicContact CG1-CD2 3.73Å; V52-W56 HydrophobicContact CG1-CE3 3.78Å; V52-W56 HydrophobicContact CG1-CG 4.44Å; V52-W56 HydrophobicContact CG1-CH2 3.85Å; V52-W56 HydrophobicContact CG1-CZ2 3.76Å; V52-W56 HydrophobicContact CG1-CZ3 3.85Å; V52-W56 WeakPolarHBondContact O-CB 3.38Å; V52-W56 PolarHBondContact O-N 3.26Å; A53-W56 PolarHBondContact O-N 3.2Å; E54-W56 PolarHBondContact O-N 2.8Å; W56-S58 VanDerWaalsContact C-N 3.26Å; W56-S58 PolarHBondContact O-N 2.51Å; W56-Q59 PolarHBondContact O-N 2.82Å; W56-F62 HydrophobicContact CB-CD1 4.17Å; W56-F62 HydrophobicContact CB-CE1 3.9Å; W56-F62 AromaticContact CD2-CE1 4Å; W56-F62 HydrophobicContact CD2-CE1 4Å; W56-F62 HydrophobicContact CD2-CZ 4.47Å; W56-F62 HydrophobicContact CE3-CE1 4.39Å; W56-F62 HydrophobicContact CG-CD1 4.38Å; W56-F62 AromaticContact CG-CE1 3.81Å; W56-F62 HydrophobicContact CG-CE1 3.81Å
57N98.6Very high98Very high32 Ų3277 Ų7717%0.17137%0.373CS..Hα-helixtrans-70.7-22.2175.8-71.1-22.3000113.4Y42 A53 E54 Q59 K60Y42-N57 WeakPolarHBondContact CB-OD1 3.23Å; Y42-N57 PolarHBondContact N-OD1 2.77Å; Y42-N57 PolarHBondContact O-ND2 3.46Å; A53-N57 VanDerWaalsContact O-CB 3.28Å; A53-N57 WeakPolarHBondContact O-CB 3.1Å; A53-N57 PolarHBondContact O-N 2.99Å; A53-N57 PolarHBondContact O-ND2 3.2Å; E54-N57 PolarHBondContact O-N 3.24Å; N57-Q59 VanDerWaalsContact C-N 3.32Å; N57-K60 PolarHBondContact O-NZ 2.77Å
58S98.3Very high98.1Very high81 Ų8172.7 Ų72.757%0.56636%0.36SS*.Hα-helixtrans-72-26.7173.679.20000112.7E54 S55 W56 K60E54-S58 WeakPolarHBondContact O-CB 3.32Å; E54-S58 PolarHBondContact O-N 3.42Å; S55-S58 PolarHBondContact O-N 2.89Å; S55-S58 PolarHBondContact O-OG 3.01Å; W56-S58 VanDerWaalsContact C-N 3.26Å; W56-S58 PolarHBondContact O-N 2.51Å; S58-K60 PolarHBondContact O-N 3.4Å
59Q98.4Very high98.2Very high92 Ų9269 Ų6943%0.4334%0.34SS..  trans-87.290.5-179.4-67.7172.372.100110.6S55 W56 N57 D61 F62 L63S55-Q59 PolarHBondContact O-NE2 2.92Å; S55-Q59 VanDerWaalsContact O-NE2 3.14Å; W56-Q59 PolarHBondContact O-N 2.82Å; N57-Q59 VanDerWaalsContact C-N 3.32Å; Q59-D61 PolarHBondContact O-N 2.64Å; Q59-F62 HydrophobicContact CB-CB 3.83Å; Q59-F62 WeakPolarHBondContact O-CB 3.06Å; Q59-F62 PolarHBondContact O-N 3.35Å; Q59-L63 PolarHBondContact O-N 2.85Å
60K97.6Very high98.3Very high133 Ų13369.7 Ų69.758%0.57835%0.345SS*.Hα-helixtrans-59-46-172.7-60.9-53.6-179-1650113.7N57 S58 F62 L63 E64N57-K60 PolarHBondContact O-NZ 2.77Å; S58-K60 PolarHBondContact O-N 3.4Å; K60-F62 VanDerWaalsContact C-N 3.27Å; K60-F62 PolarHBondContact O-N 2.85Å; K60-L63 PolarHBondContact O-N 2.92Å; K60-L63 VanDerWaalsContact O-N 3.11Å; K60-E64 WeakPolarHBondContact O-CG 3.33Å; K60-E64 PolarHBondContact O-N 3.19Å
61D98.1Very high98.3Very high147 Ų14768.5 Ų68.579%0.78635%0.347SS*.Hα-helixtrans-62-38.1179.4-57.5-21.3000112Q59 R65Q59-D61 PolarHBondContact O-N 2.64Å; D61-R65 WeakPolarHBondContact O-CB 3.49Å; D61-R65 PolarHBondContact O-N 3.13Å
62F97.9Very high98.3Very high34 Ų3468.7 Ų68.715%0.14935%0.347CS..Hα-helixtrans-65.4-43.5175.7177.7-107000111.3Y42 W56 Q59 K60 R65 R66Y42-F62 HydrophobicContact CD2-CE1 4.38Å; Y42-F62 HydrophobicContact CE2-CD1 4.19Å; Y42-F62 AromaticContact CE2-CE1 3.43Å; Y42-F62 HydrophobicContact CE2-CE1 3.43Å; Y42-F62 VanDerWaalsContact CE2-CE1 3.43Å; Y42-F62 HydrophobicContact CE2-CZ 4.22Å; Y42-F62 AromaticContact CZ-CE1 3.85Å; W56-F62 HydrophobicContact CB-CD1 4.17Å; W56-F62 HydrophobicContact CB-CE1 3.9Å; W56-F62 AromaticContact CD2-CE1 4Å; W56-F62 HydrophobicContact CD2-CE1 4Å; W56-F62 HydrophobicContact CD2-CZ 4.47Å; W56-F62 HydrophobicContact CE3-CE1 4.39Å; W56-F62 HydrophobicContact CG-CD1 4.38Å; W56-F62 AromaticContact CG-CE1 3.81Å; W56-F62 HydrophobicContact CG-CE1 3.81Å; Q59-F62 HydrophobicContact CB-CB 3.83Å; Q59-F62 WeakPolarHBondContact O-CB 3.06Å; Q59-F62 PolarHBondContact O-N 3.35Å; K60-F62 VanDerWaalsContact C-N 3.27Å; K60-F62 PolarHBondContact O-N 2.85Å; F62-R65 VanDerWaalsContact CD2-NH2 3.31Å; F62-R65 PolarHBondContact O-N 3.44Å; F62-R66 HydrophobicContact CE1-CG 4.24Å; F62-R66 HydrophobicContact CZ-CG 4.23Å; F62-R66 WeakPolarHBondContact O-CG 3.48Å; F62-R66 PolarHBondContact O-N 2.93Å
63L98.3Very high98.3Very high4 Ų468.8 Ų68.82%0.02135%0.348CS..Hα-helixtrans-67.7-42.9-179.2-17462.1000112.3F35 Y42 Q59 K60 R65 R66 R67F35-L63 HydrophobicContact CD2-CD1 4.06Å; F35-L63 HydrophobicContact CE2-CD1 3.66Å; Y42-L63 HydrophobicContact CD2-CD1 4.38Å; Q59-L63 PolarHBondContact O-N 2.85Å; K60-L63 PolarHBondContact O-N 2.92Å; K60-L63 VanDerWaalsContact O-N 3.11Å; L63-R65 VanDerWaalsContact C-N 3.31Å; L63-R65 PolarHBondContact O-N 2.89Å; L63-R66 PolarHBondContact O-N 2.62Å; L63-R67 WeakPolarHBondContact O-CG 3.36Å; L63-R67 PolarHBondContact O-N 2.94Å
64E98.4Very high98.2Very high100 Ų10068.5 Ų68.547%0.46735%0.345SS..Hα-helixtrans-61-41.3173.5-70.9-51.3136.100111.6K60 R66 R67 A68K60-E64 WeakPolarHBondContact O-CG 3.33Å; K60-E64 PolarHBondContact O-N 3.19Å; E64-R66 VanDerWaalsContact C-N 3.33Å; E64-R66 PolarHBondContact O-N 3.39Å; E64-R67 WeakPolarHBondContact O-CB 3.47Å; E64-R67 PolarHBondContact O-N 2.94Å; E64-R67 IonicContact OE1-CZ 2.64Å; E64-R67 IonicContact OE1-NH1 3.83Å; E64-R67 PolarHBondContact OE1-NH1 3.22Å; E64-A68 PolarHBondContact O-N 2.03Å
65R98.3Very high98.2Very high144 Ų14466.3 Ų66.354%0.54333%0.332SS..Hα-helixtrans-59.1-44.5173.8-172.9178.264.9173.70.4111.6D61 F62 L63 R67 A68 E69D61-R65 WeakPolarHBondContact O-CB 3.49Å; D61-R65 PolarHBondContact O-N 3.13Å; F62-R65 VanDerWaalsContact CD2-NH2 3.31Å; F62-R65 PolarHBondContact O-N 3.44Å; L63-R65 VanDerWaalsContact C-N 3.31Å; L63-R65 PolarHBondContact O-N 2.89Å; R65-R67 VanDerWaalsContact C-N 3.33Å; R65-R67 PolarHBondContact O-N 3.37Å; R65-A68 PolarHBondContact O-N 2.83Å; R65-E69 WeakPolarHBondContact O-CG 3.41Å; R65-E69 PolarHBondContact O-N 3.29Å
66R98.1Very high98Very high27 Ų2769 Ų6910%0.10234%0.338CS..Hα-helixtrans-62.9-37.1176.8-68.3-54-169.9-171.73.3112.9Y21 F35 Y42 F62 L63 E64 A68 E69Y21-R66 PolarHBondContact OH-NH1 3.23Å; F35-R66 HydrophobicContact CD1-CB 4.21Å; F35-R66 HydrophobicContact CD2-CB 4.04Å; F35-R66 HydrophobicContact CE1-CB 3.96Å; F35-R66 WeakPolarHBondContact CE1-O 3.46Å; F35-R66 HydrophobicContact CE2-CB 3.78Å; F35-R66 HydrophobicContact CG-CB 4.25Å; F35-R66 HydrophobicContact CZ-CB 3.74Å; Y42-R66 HydrophobicContact CE2-CG 3.98Å; Y42-R66 PolarHBondContact OH-NE 2.87Å; F62-R66 HydrophobicContact CE1-CG 4.24Å; F62-R66 HydrophobicContact CZ-CG 4.23Å; F62-R66 WeakPolarHBondContact O-CG 3.48Å; F62-R66 PolarHBondContact O-N 2.93Å; L63-R66 PolarHBondContact O-N 2.62Å; E64-R66 VanDerWaalsContact C-N 3.33Å; E64-R66 PolarHBondContact O-N 3.39Å; R66-A68 VanDerWaalsContact C-N 3.32Å; R66-E69 WeakPolarHBondContact CD-OE2 3.45Å; R66-E69 IonicContact CZ-OE1 2.9Å; R66-E69 IonicContact CZ-OE2 2.92Å; R66-E69 IonicContact NE-OE2 2.84Å; R66-E69 VanDerWaalsContact NH1-CD 3.26Å; R66-E69 IonicContact NH1-OE1 3.91Å; R66-E69 PolarHBondContact NH1-OE1 3.49Å; R66-E69 IonicContact NH1-OE2 3.68Å; R66-E69 PolarHBondContact NH1-OE2 3.03Å; R66-E69 PolarHBondContact O-N 3.02Å
67R98.6Very high97.9Very high98 Ų9870.7 Ų70.737%0.3735%0.351SS..Hα-helixtrans-63.1-40174.1-68.6166.1-179.1179.9-6.6111.4F35 G40 L63 E64 R65 E69F35-R67 HydrophobicContact CE2-CG 4.33Å; F35-R67 HydrophobicContact CZ-CG 3.91Å; G40-R67 VanDerWaalsContact O-CZ 3.26Å; G40-R67 PolarHBondContact O-NE 3.08Å; G40-R67 PolarHBondContact O-NH2 3.44Å; L63-R67 WeakPolarHBondContact O-CG 3.36Å; L63-R67 PolarHBondContact O-N 2.94Å; E64-R67 WeakPolarHBondContact O-CB 3.47Å; E64-R67 PolarHBondContact O-N 2.94Å; E64-R67 IonicContact OE1-CZ 2.64Å; E64-R67 IonicContact OE1-NH1 3.83Å; E64-R67 PolarHBondContact OE1-NH1 3.22Å; R65-R67 VanDerWaalsContact C-N 3.33Å; R65-R67 PolarHBondContact O-N 3.37Å; R67-E69 VanDerWaalsContact C-N 3.27Å; R67-E69 PolarHBondContact O-N 3.3Å
68A98.6Very high97.6Very high41 Ų4172.4 Ų72.434%0.33936%0.356SS..Hα-helixtrans-72.8-12.1178.800000114.5E64 R65 R66 V70 D71 T72E64-A68 PolarHBondContact O-N 2.03Å; R65-A68 PolarHBondContact O-N 2.83Å; R66-A68 VanDerWaalsContact C-N 3.32Å; A68-V70 PolarHBondContact O-N 2.88Å; A68-D71 PolarHBondContact O-N 2.95Å; A68-T72 HydrophobicContact CB-CG2 4.38Å; A68-T72 WeakPolarHBondContact O-CB 3.31Å; A68-T72 WeakPolarHBondContact O-CG2 3.03Å; A68-T72 PolarHBondContact O-N 2.75Å; A68-T72 PolarHBondContact O-OG1 2.68Å
69E98.5Very high97.3Very high24 Ų2470.3 Ų70.311%0.11235%0.346CS..Hα-helixtrans-67.9-17.1-178.7-76.7176.9156.400113.3Y21 R65 R66 R67 D71 T72 V73 C74Y21-E69 HydrophobicContact CD1-CB 3.92Å; Y21-E69 HydrophobicContact CD2-CB 4.44Å; Y21-E69 HydrophobicContact CE1-CB 3.81Å; Y21-E69 WeakPolarHBondContact CE1-OE2 3.01Å; Y21-E69 HydrophobicContact CE2-CB 4.36Å; Y21-E69 HydrophobicContact CG-CB 4.22Å; Y21-E69 PolarHBondContact OH-OE2 3.42Å; R65-E69 WeakPolarHBondContact O-CG 3.41Å; R65-E69 PolarHBondContact O-N 3.29Å; R66-E69 WeakPolarHBondContact CD-OE2 3.45Å; R66-E69 IonicContact CZ-OE1 2.9Å; R66-E69 IonicContact CZ-OE2 2.92Å; R66-E69 IonicContact NE-OE2 2.84Å; R66-E69 VanDerWaalsContact NH1-CD 3.26Å; R66-E69 IonicContact NH1-OE1 3.91Å; R66-E69 PolarHBondContact NH1-OE1 3.49Å; R66-E69 IonicContact NH1-OE2 3.68Å; R66-E69 PolarHBondContact NH1-OE2 3.03Å; R66-E69 PolarHBondContact O-N 3.02Å; R67-E69 VanDerWaalsContact C-N 3.27Å; R67-E69 PolarHBondContact O-N 3.3Å; E69-D71 VanDerWaalsContact C-N 3.31Å; E69-D71 PolarHBondContact O-N 3.3Å; E69-T72 WeakPolarHBondContact CA-OG1 3.34Å; E69-V73 HydrophobicContact CB-CB 4.25Å; E69-V73 HydrophobicContact CB-CG2 4.12Å; E69-V73 HydrophobicContact CG-CB 4.47Å; E69-V73 HydrophobicContact CG-CG2 3.8Å; E69-V73 WeakPolarHBondContact O-CA 3.37Å; E69-V73 WeakPolarHBondContact O-CB 3.18Å; E69-V73 PolarHBondContact O-N 3.47Å; E69-V73 VanDerWaalsContact O-N 3.08Å; E69-C74 PolarHBondContact O-N 2.85Å
70V98.5Very high96.9Very high16 Ų1669.2 Ų69.210%0.09735%0.346CS..Iπ-helixtrans-58-46.1170.2-172.30000110.7V19 S37 A68 C74 R75V19-V70 HydrophobicContact CB-CG1 3.79Å; V19-V70 HydrophobicContact CG1-CG1 3.91Å; V19-V70 WeakPolarHBondContact O-CG1 3.42Å; S37-V70 VanDerWaalsContact CB-CG2 3.44Å; A68-V70 PolarHBondContact O-N 2.88Å; V70-C74 VanDerWaalsContact O-CB 3.31Å; V70-C74 WeakPolarHBondContact O-CB 3.4Å; V70-R75 VanDerWaalsContact CG1-NH1 3.33Å; V70-R75 PolarHBondContact O-N 2.72Å
71D98.3Very high96.4Very high95 Ų9563.6 Ų63.651%0.50833%0.326SS..Iπ-helixtrans-87.1-51-179.6-69.1-54.7000111.9A68 E69 V73 R75 H76A68-D71 PolarHBondContact O-N 2.95Å; E69-D71 VanDerWaalsContact C-N 3.31Å; E69-D71 PolarHBondContact O-N 3.3Å; D71-V73 VanDerWaalsContact C-N 3.31Å; D71-V73 PolarHBondContact O-N 3Å; D71-R75 WeakPolarHBondContact OD1-CD 3.47Å; D71-R75 IonicContact OD1-CZ 2.87Å; D71-R75 IonicContact OD1-NE 3.76Å; D71-R75 IonicContact OD1-NH1 3.22Å; D71-R75 PolarHBondContact OD1-NH1 2.91Å; D71-R75 IonicContact OD2-NH1 3.69Å; D71-H76 PolarHBondContact O-N 2.95Å
72T98Very high95.7Very high87 Ų8760.5 Ų60.553%0.53431%0.307SS..Iπ-helixtrans-73.5-23.6-169.3590000113.2A68 E69 H76A68-T72 HydrophobicContact CB-CG2 4.38Å; A68-T72 WeakPolarHBondContact O-CB 3.31Å; A68-T72 WeakPolarHBondContact O-CG2 3.03Å; A68-T72 PolarHBondContact O-N 2.75Å; A68-T72 PolarHBondContact O-OG1 2.68Å; E69-T72 WeakPolarHBondContact CA-OG1 3.34Å; T72-H76 WeakPolarHBondContact O-CB 3.48Å
73V97.5Very high94.7Very high48 Ų4863.7 Ų63.729%0.29133%0.333SS..Iπ-helixtrans-115.5-59.3179.4178.80000110.7E69 D71 N77E69-V73 HydrophobicContact CB-CB 4.25Å; E69-V73 HydrophobicContact CB-CG2 4.12Å; E69-V73 HydrophobicContact CG-CB 4.47Å; E69-V73 HydrophobicContact CG-CG2 3.8Å; E69-V73 WeakPolarHBondContact O-CA 3.37Å; E69-V73 WeakPolarHBondContact O-CB 3.18Å; E69-V73 PolarHBondContact O-N 3.47Å; E69-V73 VanDerWaalsContact O-N 3.08Å; D71-V73 VanDerWaalsContact C-N 3.31Å; D71-V73 PolarHBondContact O-N 3Å; V73-N77 WeakPolarHBondContact O-CB 3.36Å; V73-N77 PolarHBondContact O-N 3.29Å; V73-N77 PolarHBondContact O-ND2 3.12Å
74C97.8Very high93.7Very high1 Ų170.6 Ų70.61%0.00736%0.363CS..Iπ-helixtrans-67.1-57.7-171.5-62.30000112.4C10 F12 V19 E69 V70 H76 N77 Y78C10-C74 HydrophobicContact CB-CB 3.6Å; C10-C74 WeakPolarHBondContact CB-SG 3.34Å; C10-C74 WeakPolarHBondContact SG-CA 3.36Å; C10-C74 WeakPolarHBondContact SG-CB 3.45Å; C10-C74 CovalentContact SG-SG 2.03Å; C10-C74 PolarHBondContact SG-SG 3.04Å; F12-C74 HydrophobicContact CE1-CB 4.21Å; F12-C74 HydrophobicContact CZ-CB 3.95Å; F12-C74 WeakPolarHBondContact CZ-O 3.49Å; V19-C74 HydrophobicContact CG1-CB 3.49Å; V19-C74 VanDerWaalsContact CG1-CB 3.49Å; E69-C74 PolarHBondContact O-N 2.85Å; V70-C74 VanDerWaalsContact O-CB 3.31Å; V70-C74 WeakPolarHBondContact O-CB 3.4Å; C74-H76 PolarHBondContact O-N 2.9Å; C74-N77 PolarHBondContact O-N 3Å; C74-Y78 WeakPolarHBondContact O-CB 2.97Å; C74-Y78 PolarHBondContact O-N 3.37Å
75R96.8Very high92.6Very high74 Ų7469.3 Ų69.328%0.27936%0.362SS..Iπ-helixtrans-64-41.6179.1-70.5-172178.695.22.2112.2T16 V19 V70 D71 Y78 G79T16-R75 HydrophobicContact CG2-CG 4.5Å; T16-R75 PolarHBondContact O-NE 3.26Å; V19-R75 HydrophobicContact CG2-CG 3.89Å; V70-R75 VanDerWaalsContact CG1-NH1 3.33Å; V70-R75 PolarHBondContact O-N 2.72Å; D71-R75 WeakPolarHBondContact OD1-CD 3.47Å; D71-R75 IonicContact OD1-CZ 2.87Å; D71-R75 IonicContact OD1-NE 3.76Å; D71-R75 IonicContact OD1-NH1 3.22Å; D71-R75 PolarHBondContact OD1-NH1 2.91Å; D71-R75 IonicContact OD2-NH1 3.69Å; R75-Y78 PolarHBondContact O-N 2.95Å; R75-G79 PolarHBondContact O-N 3.12Å
76H95.6Very high91.4Very high114 Ų11469.2 Ų69.253%0.52838%0.378SS..Hα-helixtrans-55.8-54.5176-179.870.1000112.1D71 T72 C74 Y78 G79 V80D71-H76 PolarHBondContact O-N 2.95Å; T72-H76 WeakPolarHBondContact O-CB 3.48Å; C74-H76 PolarHBondContact O-N 2.9Å; H76-Y78 VanDerWaalsContact C-N 3.33Å; H76-Y78 PolarHBondContact O-N 2.83Å; H76-G79 PolarHBondContact O-N 3.41Å; H76-V80 WeakPolarHBondContact O-CG2 3.34Å; H76-V80 PolarHBondContact O-N 3.48Å
77N94.8Very high89.9Confident92 Ų9272.5 Ų72.549%0.49239%0.394SS..Hα-helixtrans-68.3-32.8-178.2-70.1-18.5000112.4V73 C74 V80 G81V73-N77 WeakPolarHBondContact O-CB 3.36Å; V73-N77 PolarHBondContact O-N 3.29Å; V73-N77 PolarHBondContact O-ND2 3.12Å; C74-N77 PolarHBondContact O-N 3Å; N77-V80 PolarHBondContact O-N 3.23Å; N77-G81 PolarHBondContact O-N 2.8Å
78Y92.9Very high88.2Confident69 Ų6979.6 Ų79.627%0.27142%0.421SS..Hα-helixtrans-60.9-50.3173.5-171.6-84.2000111.1F12 T16 C74 R75 H76 V80 G81 E82F12-Y78 HydrophobicContact CB-CE2 4.38Å; F12-Y78 AromaticContact CD1-CD2 3.6Å; F12-Y78 HydrophobicContact CD1-CD2 3.6Å; F12-Y78 HydrophobicContact CD1-CE2 4.14Å; F12-Y78 HydrophobicContact CD1-CG 4.1Å; F12-Y78 AromaticContact CD2-CD2 3.92Å; F12-Y78 HydrophobicContact CD2-CD2 3.92Å; F12-Y78 HydrophobicContact CD2-CE2 4.35Å; F12-Y78 AromaticContact CE1-CD2 3.61Å; F12-Y78 HydrophobicContact CE1-CD2 3.61Å; F12-Y78 AromaticContact CE1-CG 3.82Å; F12-Y78 HydrophobicContact CE1-CG 3.82Å; 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 4.04Å; F12-Y78 AromaticContact CZ-CD2 3.77Å; F12-Y78 HydrophobicContact CZ-CD2 3.77Å; F12-Y78 HydrophobicContact CZ-CG 4.16Å; T16-Y78 HydrophobicContact CG2-CD1 3.39Å; T16-Y78 HydrophobicContact CG2-CE1 3.82Å; T16-Y78 HydrophobicContact CG2-CG 3.82Å; C74-Y78 WeakPolarHBondContact O-CB 2.97Å; C74-Y78 PolarHBondContact O-N 3.37Å; R75-Y78 PolarHBondContact O-N 2.95Å; H76-Y78 VanDerWaalsContact C-N 3.33Å; H76-Y78 PolarHBondContact O-N 2.83Å; Y78-V80 VanDerWaalsContact C-N 3.32Å; Y78-V80 PolarHBondContact O-N 3.28Å; Y78-G81 PolarHBondContact O-N 2.88Å; Y78-G81 VanDerWaalsContact O-N 3.12Å; Y78-E82 HydrophobicContact CD1-CG 4.16Å; Y78-E82 HydrophobicContact CE1-CG 3.7Å; Y78-E82 WeakPolarHBondContact O-CB 2.95Å; Y78-E82 PolarHBondContact O-N 3.22Å
79G91.8Very high86.2Confident36 Ų3692.7 Ų92.737%0.37146%0.461SS..Hα-helixtrans-63.1-37.7178.900000112.8R75 H76 S83R75-G79 PolarHBondContact O-N 3.12Å; H76-G79 PolarHBondContact O-N 3.41Å; G79-S83 PolarHBondContact O-N 2.62Å
80V90.6Very high85.6Confident69 Ų6996.1 Ų96.142%0.41848%0.479SS..Hα-helixtrans-60.2-51171.3170.90000109.8H76 N77 Y78 S83 F84H76-V80 WeakPolarHBondContact O-CG2 3.34Å; H76-V80 PolarHBondContact O-N 3.48Å; N77-V80 PolarHBondContact O-N 3.23Å; Y78-V80 VanDerWaalsContact C-N 3.32Å; Y78-V80 PolarHBondContact O-N 3.28Å; V80-S83 PolarHBondContact O-N 3.41Å; V80-S83 PolarHBondContact O-OG 2.71Å; V80-F84 HydrophobicContact CG1-CE1 3.91Å; V80-F84 WeakPolarHBondContact O-CD1 3.42Å; V80-F84 WeakPolarHBondContact O-CE1 3.4Å
81G86.3Confident84.9Confident15 Ų15100.3 Ų100.316%0.15550%0.499CS..Hα-helixtrans-58.5-46.9177.500000114.4N77 Y78 S83 F84 T85N77-G81 PolarHBondContact O-N 2.8Å; Y78-G81 PolarHBondContact O-N 2.88Å; Y78-G81 VanDerWaalsContact O-N 3.12Å; G81-S83 PolarHBondContact O-N 2.92Å; G81-F84 VanDerWaalsContact CA-CE1 3.47Å; G81-F84 PolarHBondContact O-N 3.42Å; G81-T85 WeakPolarHBondContact O-CB 3.32Å; G81-T85 WeakPolarHBondContact O-CG2 3.47Å; G81-T85 PolarHBondContact O-N 2.92Å; G81-T85 PolarHBondContact O-OG1 2.7Å
82E83.5Confident84.1Confident83 Ų83100.6 Ų100.639%0.38850%0.498SS..Hα-helixtrans-52.1-40.7177-113.7-153.7113.300112.3Y78 F84 Q87Y78-E82 HydrophobicContact CD1-CG 4.16Å; Y78-E82 HydrophobicContact CE1-CG 3.7Å; Y78-E82 WeakPolarHBondContact O-CB 2.95Å; Y78-E82 PolarHBondContact O-N 3.22Å; E82-F84 PolarHBondContact O-N 3.26Å; E82-F84 VanDerWaalsContact O-N 3.12Å; E82-Q87 PolarHBondContact OE1-NE2 3.32Å; E82-Q87 PolarHBondContact OE1-OE1 3.44Å
83S78.6Confident83.3Confident100 Ų100101.4 Ų101.470%0.69950%0.496SS*.THydrogen-bonded Turntrans-63.5-21.1-173.8730000113.8G79 V80 G81G79-S83 PolarHBondContact O-N 2.62Å; V80-S83 PolarHBondContact O-N 3.41Å; V80-S83 PolarHBondContact O-OG 2.71Å; G81-S83 PolarHBondContact O-N 2.92Å
84F76.6Confident82.4Confident149 Ų149104.8 Ų104.865%0.65451%0.509SS*.THydrogen-bonded Turntrans-130.4-5.2-17764.8-97.9000114.7V80 G81 E82V80-F84 HydrophobicContact CG1-CE1 3.91Å; V80-F84 WeakPolarHBondContact O-CD1 3.42Å; V80-F84 WeakPolarHBondContact O-CE1 3.4Å; G81-F84 VanDerWaalsContact CA-CE1 3.47Å; G81-F84 PolarHBondContact O-N 3.42Å; E82-F84 PolarHBondContact O-N 3.26Å; E82-F84 VanDerWaalsContact O-N 3.12Å
85T74.9Confident81.4Confident74 Ų74111.7 Ų111.745%0.45454%0.543SS..SBendtrans-101148.9177.458.80000111.5G81 Q87G81-T85 WeakPolarHBondContact O-CB 3.32Å; G81-T85 WeakPolarHBondContact O-CG2 3.47Å; G81-T85 PolarHBondContact O-N 2.92Å; G81-T85 PolarHBondContact O-OG1 2.7Å; T85-Q87 PolarHBondContact O-N 3.47Å
86V72.6Confident80.3Confident142 Ų142114.4 Ų114.486%0.86156%0.561SS**PPolyproline II helixtrans-65.7123.8171.3178.90000108.2R88V86-R88 PolarHBondContact O-N 3.19Å
87Q66.8Low79.1Confident96 Ų96114.4 Ų114.445%0.44956%0.564SS.*PPolyproline II helixtrans-52.9124.9177.1-64.8-68.4-21.100110.5E82 T85 R89E82-Q87 PolarHBondContact OE1-NE2 3.32Å; E82-Q87 PolarHBondContact OE1-OE1 3.44Å; T85-Q87 PolarHBondContact O-N 3.47Å; Q87-R89 PolarHBondContact O-N 3.26Å
88R62.8Low77.8Confident246 Ų246116.3 Ų116.393%0.92857%0.57SS**  trans-70.3111.6170.5-86178.6149.4175.8-6.8107.8V86V86-R88 PolarHBondContact O-N 3.19Å
89R56.8Low76.5Confident316 Ų316120.5 Ų120.5100%1.19260%0.597SS**  trans-650170.2-76-174.6177.3-172.6-1111.4Q87Q87-R89 PolarHBondContact O-N 3.26Å

Retrieved 89 of 89 residues in 218.1 ms (Link to these results)

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