Q6MGA6_RAT Loading...

Proteasome subunit beta

Component of the proteasome, a multicatalytic proteinase complex which is characterized by its ability to cleave peptides with Arg, Phe, Tyr, Leu, and Glu adjacent to the leaving group at neutral or slightly basic pH. The proteasome has an ATP-dependent proteolytic activity.

AlphaFold DB , UniProt , Accession Q6MGA6, Species RAT (Rattus norvegicus, Rat), Gene Psmb9, Length 219 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
1M35.8Very low35Very low250 Ų250129.6 Ų129.6100%1.23285%0.846SS**  096.30-80.8-178.3179.700107.8
2L33Very low35.4Very low181 Ų181132.9 Ų132.995%0.94884%0.838SS**  trans-105.7119.3171-87.2151.2000106.3
3Q31.7Very low36.1Very low197 Ų197132.5 Ų132.592%0.92181%0.81SS**PPolyproline II helixtrans-62.6133.3179.9-89.9174.4-36.700110.6G5Q3-G5 PolarHBondContact O-N 3.31Å
4A38.8Very low35.9Very low103 Ų103134.1 Ų134.185%0.85182%0.82SS**PPolyproline II helixtrans-64.3122.6167.900000109.6
5G33.6Very low36.5Very low73 Ų73129.7 Ų129.775%0.75381%0.812SS**PPolyproline II helixtrans-68.7139.7168.800000110.5Q3Q3-G5 PolarHBondContact O-N 3.31Å
6A34.2Very low37.3Very low89 Ų89126.5 Ų126.574%0.73679%0.785SS**PPolyproline II helixtrans-60.3142.8178.600000111.7T8A6-T8 PolarHBondContact O-N 2.85Å
7P34.8Very low38.2Very low131 Ų131122.9 Ų122.985%0.85176%0.762SS**PPolyproline II helixtrans-69.8120.7176.927.6-30.6000109.8
8T36.3Very low39.3Very low127 Ų127122.4 Ų122.478%0.77975%0.749SS**PPolyproline II helixtrans-70.8129.9168.742.10000109.6A6 G10A6-T8 PolarHBondContact O-N 2.85Å; T8-G10 PolarHBondContact O-N 2.86Å
9A38.6Very low40.5Very low115 Ų115116.8 Ų116.895%0.9571%0.714SS**SBendtrans-59.4105.2172.900000109.7
10G36.3Very low42.1Very low52 Ų52111.1 Ų111.154%0.53668%0.68SS.*  trans144.648.5-176.300000113.1T8 F12T8-G10 PolarHBondContact O-N 2.86Å; G10-F12 VanDerWaalsContact C-N 3.25Å; G10-F12 PolarHBondContact O-N 3.02Å; G10-F12 VanDerWaalsContact O-N 3.16Å
11S31.6Very low44.5Very low108 Ų108105.9 Ų105.976%0.75565%0.648SS**  trans-83.673.3167.3166.80000108.9R13S11-R13 PolarHBondContact O-N 2.59Å
12F40.2Very low47.3Very low169 Ų16994 Ų9474%0.74159%0.59SS**  trans-67.9117.3160.6-66.9-78.2000106.9G10 T14G10-F12 VanDerWaalsContact C-N 3.25Å; G10-F12 PolarHBondContact O-N 3.02Å; G10-F12 VanDerWaalsContact O-N 3.16Å; F12-T14 PolarHBondContact O-N 3.31Å
13R44.9Very low50.4Low127 Ų12785.5 Ų85.548%0.47955%0.545SS..  trans-65.4129.2178.2-71.2-174.6175.1-1773.2108.4S11 G15 E16 E112 D113S11-R13 PolarHBondContact O-N 2.59Å; R13-G15 PolarHBondContact O-N 3.11Å; R13-E16 HydrophobicContact CB-CG 4.43Å; R13-E16 PolarHBondContact O-N 3.45Å; R13-E112 PolarHBondContact NH1-O 3.39Å; R13-E112 PolarHBondContact NH2-O 3.48Å; R13-D113 IonicContact NH1-OD1 2.76Å
14T33.1Very low53.5Low155 Ų15576.1 Ų76.195%0.95150%0.501SS*.THydrogen-bonded Turntrans-59.9105.3177.2-7.50000109.2F12F12-T14 PolarHBondContact O-N 3.31Å
15G45.1Very low56.4Low68 Ų6871.2 Ų71.270%0.70146%0.461SS*.THydrogen-bonded Turntrans123.94.3178.500000116.6R13 V17R13-G15 PolarHBondContact O-N 3.11Å; G15-V17 PolarHBondContact O-N 3.34Å
16E49.4Very low59.4Low79 Ų7967.8 Ų67.837%0.36943%0.425SS..  trans-61.8106.2176.1-79.8177.8165.900111.9R13 H18 L115R13-E16 HydrophobicContact CB-CG 4.43Å; R13-E16 PolarHBondContact O-N 3.45Å; E16-H18 PolarHBondContact O-N 2.76Å; E16-H18 IonicContact OE2-NE2 2.99Å; E16-L115 HydrophobicContact CG-CD1 4.33Å
17V52.3Low62.5Low66 Ų6665.9 Ų65.940%0.440%0.401SS..  trans-87.396.2169-175.50000107.4G15 T19 S41 A42G15-V17 PolarHBondContact O-N 3.34Å; V17-T19 HydrophobicContact CG1-CG2 3.8Å; V17-T19 PolarHBondContact O-N 2.74Å; V17-T19 VanDerWaalsContact O-N 3.13Å; V17-S41 WeakPolarHBondContact CG1-O 3.35Å; V17-A42 HydrophobicContact CG1-CB 3.84Å
18H57.3Low65.5Low114 Ų11460.4 Ų60.453%0.52836%0.364SS..  trans-72.1103.5166.1-67.9-65.7000108.8E16 S41E16-H18 PolarHBondContact O-N 2.76Å; E16-H18 IonicContact OE2-NE2 2.99Å; H18-S41 PolarHBondContact O-OG 3.38Å
19T62.6Low68.4Low15 Ų1561.8 Ų61.89%0.09237%0.367CS..BIsolated β-bridgetrans-87.3121.5172.280.30000107.9V17 V40 G67 A69V17-T19 HydrophobicContact CG1-CG2 3.8Å; V17-T19 PolarHBondContact O-N 2.74Å; V17-T19 VanDerWaalsContact O-N 3.13Å; T19-V40 HydrophobicContact CG2-CG1 3.48Å; T19-V40 VanDerWaalsContact CG2-CG1 3.48Å; T19-G67 PolarHBondContact OG1-O 3.08Å; T19-A69 HydrophobicContact CG2-CB 4.44Å
20G73.5Confident71.1Confident3 Ų358.1 Ų58.13%0.03134%0.34CS..  trans-59.5141.9173.900000111.6S41 K53 S149 S188G20-S41 PolarHBondContact N-OG 3.01Å; G20-K53 PolarHBondContact O-NZ 3.48Å; G20-S149 VanDerWaalsContact CA-OG 3.31Å; G20-S149 WeakPolarHBondContact CA-OG 3.17Å; G20-S188 WeakPolarHBondContact CA-O 3.39Å
21T90.8Very high74Confident2 Ų255.6 Ų55.61%0.01231%0.314CS..  trans-151.8138-177.7-64.80000110.8I23 K53 G148 S149 G150T21-I23 HydrophobicContact CG2-CB 4.44Å; T21-I23 HydrophobicContact CG2-CG1 4.34Å; T21-I23 HydrophobicContact CG2-CG2 3.63Å; T21-K53 HydrophobicContact CG2-CD 3.75Å; T21-K53 PolarHBondContact OG1-NZ 2.97Å; T21-G148 CarbonylContact O-C 3.28Å; T21-G148 WeakPolarHBondContact O-CA 3.42Å; T21-S149 PolarHBondContact N-OG 3.44Å; T21-S149 PolarHBondContact O-N 2.91Å; T21-S149 PolarHBondContact O-OG 3.42Å; T21-G150 PolarHBondContact O-N 3.17Å
22T96.1Very high77.2Confident0 Ų050.5 Ų50.50%028%0.278CS..  trans-122.4114.8160.6-52.60000108.2S36 D37 G150 I154 I179 A182 S189T22-S36 VanDerWaalsContact O-CA 3.32Å; T22-S36 WeakPolarHBondContact O-CA 3.38Å; T22-D37 PolarHBondContact N-OD1 3Å; T22-D37 PolarHBondContact O-N 3.45Å; T22-D37 VanDerWaalsContact O-N 3.08Å; T22-G150 WeakPolarHBondContact OG1-CA 3.4Å; T22-I154 HydrophobicContact CG2-CD1 4.27Å; T22-I179 HydrophobicContact CG2-CB 4.44Å; T22-I179 HydrophobicContact CG2-CG1 4.08Å; T22-I179 HydrophobicContact CG2-CG2 4.41Å; T22-A182 HydrophobicContact CG2-CB 3.55Å; T22-A182 WeakPolarHBondContact OG1-CB 3.36Å; T22-S189 PolarHBondContact N-OG 2.94Å; T22-S189 PolarHBondContact OG1-OG 3.28Å
23I97Very high80Confident3 Ų342.4 Ų42.42%0.01524%0.243CC..EExtended strand (participates in β ladder)trans-121.3147.7172.852.4168.2000109.8T21 G35 A64 M119 I146 G147T21-I23 HydrophobicContact CG2-CB 4.44Å; T21-I23 HydrophobicContact CG2-CG1 4.34Å; T21-I23 HydrophobicContact CG2-CG2 3.63Å; I23-G35 WeakPolarHBondContact CA-O 3.39Å; I23-A64 HydrophobicContact CB-CB 3.86Å; I23-A64 HydrophobicContact CD1-CB 3.91Å; I23-A64 HydrophobicContact CG1-CB 4.49Å; I23-A64 HydrophobicContact CG2-CB 3.8Å; I23-M119 HydrophobicContact CD1-CB 4.21Å; I23-M119 HydrophobicContact CD1-CE 4.23Å; I23-M119 HydrophobicContact CG1-CE 4.34Å; I23-I146 CarbonylContact O-C 3.12Å; I23-I146 WeakPolarHBondContact O-CA 3.41Å; I23-G147 WeakPolarHBondContact CG1-O 3.4Å; I23-G147 PolarHBondContact N-O 2.88Å; I23-G147 PolarHBondContact O-N 3.03Å
24M97.7Very high82.5Confident0 Ų036.4 Ų36.40%022%0.22CC..EExtended strand (participates in β ladder)trans-149.8145.4178.5177.7172.4177.800110.6V34 G35 A145 I146 V158 F174 T175 A178 I179M24-V34 CarbonylContact O-C 3.58Å; M24-V34 WeakPolarHBondContact O-CA 3.36Å; M24-G35 PolarHBondContact N-O 2.87Å; M24-G35 PolarHBondContact O-N 2.85Å; M24-A145 CarbonylContact C-O 3.58Å; M24-A145 VanDerWaalsContact CA-O 3.29Å; M24-A145 WeakPolarHBondContact CA-O 3.43Å; M24-I146 HydrophobicContact CB-CG2 4.17Å; M24-I146 HydrophobicContact CG-CG2 3.88Å; M24-I146 HydrophobicContact SD-CG2 4.12Å; M24-V158 HydrophobicContact CE-CG1 4.37Å; M24-F174 HydrophobicContact CE-CD1 3.42Å; M24-F174 VanDerWaalsContact CE-CD1 3.42Å; M24-F174 HydrophobicContact CE-CD2 4.46Å; M24-F174 HydrophobicContact CE-CE1 3.08Å; M24-F174 HydrophobicContact CE-CE2 4.17Å; M24-F174 HydrophobicContact CE-CG 4.12Å; M24-F174 HydrophobicContact CE-CZ 3.5Å; M24-T175 HydrophobicContact CB-CG2 4.23Å; M24-T175 HydrophobicContact CG-CG2 4.27Å; M24-T175 HydrophobicContact SD-CG2 4.25Å; M24-A178 HydrophobicContact CE-CB 4.32Å; M24-A178 HydrophobicContact SD-CB 3.53Å; M24-A178 VanDerWaalsContact SD-CB 3.53Å; M24-I179 HydrophobicContact CB-CG1 4.47Å
25A98.3Very high85.6Confident0 Ų029 Ų290%018%0.175CC..EExtended strand (participates in β ladder)trans-135.9148165.600000110.6V33 V34 M119 A121 V131 F144 A145A25-V33 CarbonylContact C-O 3.55Å; A25-V33 WeakPolarHBondContact CA-O 3.45Å; A25-V34 HydrophobicContact CB-CG1 4.28Å; A25-V34 HydrophobicContact CB-CG2 4.28Å; A25-M119 HydrophobicContact CB-SD 3.47Å; A25-M119 WeakPolarHBondContact CB-SD 3.11Å; A25-A121 HydrophobicContact CB-CB 3.93Å; A25-V131 HydrophobicContact CB-CB 4.42Å; A25-V131 HydrophobicContact CB-CG1 3.71Å; A25-V131 HydrophobicContact CB-CG2 3.79Å; A25-F144 CarbonylContact O-C 3.53Å; A25-F144 WeakPolarHBondContact O-CA 3.21Å; A25-F144 WeakPolarHBondContact O-CB 3.39Å; A25-A145 PolarHBondContact N-O 3.23Å; A25-A145 PolarHBondContact O-N 3.21Å
26V98.4Very high88.2Confident0 Ų025.8 Ų25.80%014%0.142CC..EExtended strand (participates in β ladder)trans-139.5133.6178.759.10000110.4V32 V33 F144 Y162 C171 F174V26-V32 CarbonylContact O-C 3.5Å; V26-V32 VanDerWaalsContact O-CA 3.28Å; V26-V32 WeakPolarHBondContact O-CA 3.33Å; V26-V33 HydrophobicContact CG1-CB 3.91Å; V26-V33 PolarHBondContact N-O 2.93Å; V26-V33 PolarHBondContact O-N 3.34Å; V26-F144 HydrophobicContact CB-CB 4.13Å; V26-F144 HydrophobicContact CG2-CB 4.13Å; V26-Y162 HydrophobicContact CG2-CD2 4.47Å; V26-Y162 HydrophobicContact CG2-CE2 4.15Å; V26-C171 HydrophobicContact CG1-CB 3.66Å; V26-F174 HydrophobicContact CG2-CD1 4.32Å; V26-F174 HydrophobicContact CG2-CE1 4.44Å
27E98.2Very high90.4Very high49 Ų4922 Ų2223%0.22912%0.124CC..EExtended strand (participates in β ladder)trans-85.5138.3175.1-170.5177.7147.500110.2V32 G129 V131 R141 P143E27-V32 HydrophobicContact CB-CG1 4.41Å; E27-V32 HydrophobicContact CG-CG1 4.47Å; E27-G129 WeakPolarHBondContact CG-O 3.48Å; E27-G129 VanDerWaalsContact OE1-O 3.13Å; E27-V131 HydrophobicContact CB-CG2 4.43Å; E27-R141 IonicContact OE1-NH2 3.45Å; E27-R141 PolarHBondContact OE1-NH2 2.86Å; E27-R141 IonicContact OE2-NE 3.9Å; E27-R141 IonicContact OE2-NH2 3.78Å; E27-R141 PolarHBondContact OE2-NH2 2.6Å; E27-P143 WeakPolarHBondContact CB-O 3.3Å; E27-P143 PolarHBondContact N-O 3.32Å
28F97.9Very high92.5Very high16 Ų1618.9 Ų18.97%0.0711%0.105CC..EExtended strand (participates in β ladder)trans-137.1169.2172.466.4-94.1000110.4G30 G31 V32 V33 M166 P168 C171 T197 T199F28-G30 PolarHBondContact O-N 3.11Å; F28-G31 WeakPolarHBondContact CD1-O 3.39Å; F28-G31 PolarHBondContact N-O 3.03Å; F28-G31 PolarHBondContact O-N 2.94Å; F28-G31 VanDerWaalsContact O-N 3.11Å; F28-V32 VanDerWaalsContact CE1-C 3.45Å; F28-V32 VanDerWaalsContact CE1-N 3.32Å; F28-V33 HydrophobicContact CD1-CG2 4.11Å; F28-V33 HydrophobicContact CE1-CG2 3.8Å; F28-M166 WeakPolarHBondContact CB-O 3.47Å; F28-P168 HydrophobicContact CD2-CB 4.21Å; F28-P168 HydrophobicContact CD2-CG 3.76Å; F28-P168 HydrophobicContact CE1-CB 4.33Å; F28-P168 HydrophobicContact CE2-CB 3.88Å; F28-P168 HydrophobicContact CE2-CG 3.53Å; F28-P168 HydrophobicContact CZ-CB 3.92Å; F28-P168 HydrophobicContact CZ-CG 4.09Å; F28-C171 HydrophobicContact CD1-CB 4.32Å; F28-T197 HydrophobicContact CE1-CG2 4.06Å; F28-T197 HydrophobicContact CZ-CG2 3.96Å; F28-T199 HydrophobicContact CE2-CG2 4.4Å; F28-T199 HydrophobicContact CZ-CG2 3.91Å
29D96.6Very high94.3Very high157 Ų15716.8 Ų16.884%0.849%0.092SC*.THydrogen-bonded Turntrans-66108.3178.3-171.619.7000111.1
30G95.3Very high95.7Very high37 Ų3716.6 Ų16.638%0.3819%0.091SC..THydrogen-bonded Turntrans102.8-1.9-177.500000115.8F28F28-G30 PolarHBondContact O-N 3.11Å
31G98Very high96.3Very high0 Ų016.6 Ų16.60%09%0.091CC..EExtended strand (participates in β ladder)trans173.8-163.7-178.700000117.1F28 I198F28-G31 WeakPolarHBondContact CD1-O 3.39Å; F28-G31 PolarHBondContact N-O 3.03Å; F28-G31 PolarHBondContact O-N 2.94Å; F28-G31 VanDerWaalsContact O-N 3.11Å; G31-I198 CarbonylContact C-O 3.58Å; G31-I198 WeakPolarHBondContact CA-O 3.44Å
32V98.6Very high96.1Very high0 Ų018.3 Ų18.30%011%0.105CC..EExtended strand (participates in β ladder)trans-136151175.3-61.40000111.1V26 E27 F28 V34 A121 V131 T197 I198V26-V32 CarbonylContact O-C 3.5Å; V26-V32 VanDerWaalsContact O-CA 3.28Å; V26-V32 WeakPolarHBondContact O-CA 3.33Å; E27-V32 HydrophobicContact CB-CG1 4.41Å; E27-V32 HydrophobicContact CG-CG1 4.47Å; F28-V32 VanDerWaalsContact CE1-C 3.45Å; F28-V32 VanDerWaalsContact CE1-N 3.32Å; V32-V34 HydrophobicContact CG2-CG2 4.37Å; V32-A121 HydrophobicContact CG2-CB 4.2Å; V32-V131 HydrophobicContact CB-CG2 4.45Å; V32-V131 HydrophobicContact CG1-CG2 3.94Å; V32-T197 WeakPolarHBondContact O-CA 3.19Å; V32-I198 HydrophobicContact CG2-CB 3.81Å; V32-I198 HydrophobicContact CG2-CD1 3.89Å; V32-I198 HydrophobicContact CG2-CG1 4.17Å; V32-I198 PolarHBondContact N-O 3.44Å; V32-I198 PolarHBondContact O-N 3.05Å
33V98.7Very high95.4Very high0 Ų021.3 Ų21.30%014%0.136CC..EExtended strand (participates in β ladder)trans-110.8130.6165.1178.20000108A25 V26 F28 C171 R172 T175 L195 V196 T197A25-V33 CarbonylContact C-O 3.55Å; A25-V33 WeakPolarHBondContact CA-O 3.45Å; V26-V33 HydrophobicContact CG1-CB 3.91Å; V26-V33 PolarHBondContact N-O 2.93Å; V26-V33 PolarHBondContact O-N 3.34Å; F28-V33 HydrophobicContact CD1-CG2 4.11Å; F28-V33 HydrophobicContact CE1-CG2 3.8Å; V33-C171 HydrophobicContact CB-CB 4.34Å; V33-C171 HydrophobicContact CG2-CB 3.77Å; V33-R172 HydrophobicContact CG1-CG 4.05Å; V33-R172 HydrophobicContact CG2-CG 3.86Å; V33-T175 HydrophobicContact CG1-CG2 4.49Å; V33-L195 HydrophobicContact CG1-CD2 4.21Å; V33-V196 WeakPolarHBondContact CA-O 3.24Å; V33-T197 HydrophobicContact CG2-CG2 4.16Å
34V98.6Very high94.8Very high1 Ų126.6 Ų26.61%0.00618%0.18CC..EExtended strand (participates in β ladder)trans-117.5136.4174.2-164.10000108.2M24 A25 V32 L54 A64 A121 L195 V196 I198M24-V34 CarbonylContact O-C 3.58Å; M24-V34 WeakPolarHBondContact O-CA 3.36Å; A25-V34 HydrophobicContact CB-CG1 4.28Å; A25-V34 HydrophobicContact CB-CG2 4.28Å; V32-V34 HydrophobicContact CG2-CG2 4.37Å; V34-L54 HydrophobicContact CB-CD2 4.49Å; V34-L54 HydrophobicContact CG1-CD1 4.47Å; V34-L54 HydrophobicContact CG1-CD2 3.62Å; V34-A64 HydrophobicContact CG1-CB 4.04Å; V34-A121 HydrophobicContact CG2-CB 3.54Å; V34-L195 CarbonylContact O-C 3.6Å; V34-L195 WeakPolarHBondContact O-CA 3.33Å; V34-V196 PolarHBondContact N-O 3.16Å; V34-V196 PolarHBondContact O-N 3.41Å; V34-I198 HydrophobicContact CG2-CD1 4.23Å
35G98.4Very high94.3Very high0 Ų029.2 Ų29.20%020%0.202CC..EExtended strand (participates in β ladder)trans-137.6148.6-178.400000113.1I23 M24 I179 Y194I23-G35 WeakPolarHBondContact CA-O 3.39Å; M24-G35 PolarHBondContact N-O 2.87Å; M24-G35 PolarHBondContact O-N 2.85Å; G35-I179 VanDerWaalsContact C-CD1 3.41Å; G35-Y194 CarbonylContact C-O 3.56Å; G35-Y194 VanDerWaalsContact CA-O 3.22Å; G35-Y194 WeakPolarHBondContact CA-O 3.38Å
36S98.1Very high94Very high0 Ų031.6 Ų31.60%022%0.216CC..EExtended strand (participates in β ladder)trans-147.7151.9171.769.90000112.8T22 L54 I193 Y194T22-S36 VanDerWaalsContact O-CA 3.32Å; T22-S36 WeakPolarHBondContact O-CA 3.38Å; S36-L54 WeakPolarHBondContact OG-CG 3.43Å; S36-I193 WeakPolarHBondContact O-CA 3.31Å; S36-Y194 PolarHBondContact N-O 3.04Å; S36-Y194 PolarHBondContact O-N 2.79Å
37D97.3Very high93.6Very high0 Ų036 Ų360%024%0.243CC..EExtended strand (participates in β ladder)trans-74.3166.6161.585.5-64.1000110.9T22 R39 K53 I179 M183 S189 G190T22-D37 PolarHBondContact N-OD1 3Å; T22-D37 PolarHBondContact O-N 3.45Å; T22-D37 VanDerWaalsContact O-N 3.08Å; D37-R39 PolarHBondContact OD2-N 2.99Å; D37-K53 VanDerWaalsContact CG-NZ 3.27Å; D37-K53 VanDerWaalsContact O-CD 3.22Å; D37-K53 WeakPolarHBondContact O-CD 3.34Å; D37-K53 WeakPolarHBondContact O-CE 3.46Å; D37-K53 IonicContact OD1-NZ 3.9Å; D37-K53 PolarHBondContact OD1-NZ 2.7Å; D37-K53 IonicContact OD2-NZ 3.87Å; D37-K53 PolarHBondContact OD2-NZ 2.76Å; D37-I179 HydrophobicContact CB-CG2 4.11Å; D37-M183 HydrophobicContact CB-CG 4.08Å; D37-M183 HydrophobicContact CB-SD 4.03Å; D37-S189 VanDerWaalsContact OD2-CA 3.24Å; D37-S189 WeakPolarHBondContact OD2-CA 3.48Å; D37-G190 PolarHBondContact OD2-N 3.33Å
38S96.1Very high93.3Very high0 Ų036.6 Ų36.60%025%0.248CC..  trans-112.1-1.1-171.769.80000115.8R49 V50 F51 G190 G191 V192S38-R49 WeakPolarHBondContact CB-O 3.39Å; S38-R49 CarbonylContact O-C 3.6Å; S38-R49 VanDerWaalsContact O-C 3.28Å; S38-R49 PolarHBondContact OG-O 2.87Å; S38-V50 PolarHBondContact O-N 2.98Å; S38-F51 VanDerWaalsContact CA-O 3.24Å; S38-F51 WeakPolarHBondContact CA-O 3.42Å; S38-F51 PolarHBondContact O-N 3.36Å; S38-G190 PolarHBondContact N-O 3Å; S38-G190 VanDerWaalsContact N-O 3.15Å; S38-G190 PolarHBondContact OG-O 2.93Å; S38-G191 WeakPolarHBondContact OG-CA 3.49Å; S38-V192 WeakPolarHBondContact CB-O 3.2Å; S38-V192 PolarHBondContact N-O 2.66Å; S38-V192 WeakPolarHBondContact OG-CG2 3.38Å; S38-V192 PolarHBondContact OG-N 3.32Å; S38-V192 PolarHBondContact OG-O 3.43Å
39R94.3Very high93Very high69 Ų6944 Ų4426%0.2628%0.275SS..  trans-79.7138.8-176.9-178.7177-69.8179.34.9111D37 V46 N48 K53 G187 S188 S189 G190D37-R39 PolarHBondContact OD2-N 2.99Å; R39-V46 HydrophobicContact CG-CG1 3.95Å; R39-V46 HydrophobicContact CG-CG2 4.33Å; R39-N48 WeakPolarHBondContact CA-O 3.45Å; R39-K53 WeakPolarHBondContact O-CE 3.49Å; R39-K53 PolarHBondContact O-NZ 2.79Å; R39-G187 PolarHBondContact NH1-O 3.3Å; R39-S188 WeakPolarHBondContact CD-O 3.46Å; R39-S189 PolarHBondContact NH1-O 2.83Å; R39-G190 WeakPolarHBondContact CB-O 3.22Å; R39-G190 PolarHBondContact N-O 2.98Å
40V91.8Very high92.9Very high11 Ų1140.8 Ų40.87%0.06726%0.261CS..EExtended strand (participates in β ladder)trans-122.4123.6167-174.50000107.7T19 V47 N48 F51 A69T19-V40 HydrophobicContact CG2-CG1 3.48Å; T19-V40 VanDerWaalsContact CG2-CG1 3.48Å; V40-V47 HydrophobicContact CB-CG2 3.99Å; V40-V47 HydrophobicContact CG1-CG2 3.67Å; V40-V47 VanDerWaalsContact O-CG2 3.23Å; V40-V47 WeakPolarHBondContact O-CG2 3.46Å; V40-V47 PolarHBondContact O-N 3.03Å; V40-N48 HydrophobicContact CB-CB 3.97Å; V40-N48 HydrophobicContact CG2-CB 4.13Å; V40-N48 PolarHBondContact N-O 3.15Å; V40-N48 PolarHBondContact O-N 2.85Å; V40-F51 HydrophobicContact CG2-CB 3.48Å; V40-F51 VanDerWaalsContact CG2-CB 3.48Å; V40-F51 HydrophobicContact CG2-CD1 3.79Å; V40-F51 HydrophobicContact CG2-CD2 4.47Å; V40-F51 HydrophobicContact CG2-CG 3.67Å; V40-A69 HydrophobicContact CG1-CB 4.38Å
41S86.8Confident92.8Very high4 Ų440.5 Ų40.53%0.02825%0.249CC..EExtended strand (participates in β ladder)trans-110.9147.8-179.156.50000111.9V17 H18 G20 A45V17-S41 WeakPolarHBondContact CG1-O 3.35Å; H18-S41 PolarHBondContact O-OG 3.38Å; G20-S41 PolarHBondContact N-OG 3.01Å; S41-A45 CarbonylContact C-O 3.57Å; S41-A45 VanDerWaalsContact CA-O 3.31Å; S41-A45 WeakPolarHBondContact CA-O 3.1Å
42A85.3Confident92.7Very high38 Ų3843.4 Ų43.431%0.31426%0.264SS..EExtended strand (participates in β ladder)trans-123.897.3165.200000108.6V17 A44 A45 V47V17-A42 HydrophobicContact CG1-CB 3.84Å; A42-A44 PolarHBondContact O-N 3.43Å; A42-A45 PolarHBondContact N-O 2.96Å; A42-A45 PolarHBondContact O-N 2.69Å; A42-V47 HydrophobicContact CB-CG1 3.62Å
43G82.7Confident92.6Very high62 Ų6243.5 Ų43.564%0.63927%0.265SS*.THydrogen-bonded Turntrans59.3-130.5-165.300000110.6A45G43-A45 VanDerWaalsContact C-N 3.28Å; G43-A45 PolarHBondContact O-N 3.35Å
44A84.8Confident92.5Very high114 Ų11443.7 Ų43.794%0.94227%0.266SS*.THydrogen-bonded Turntrans-77.4-10.4178.500000114.1A42A42-A44 PolarHBondContact O-N 3.43Å
45A86.6Confident92.5Very high56 Ų5644.7 Ų44.746%0.46327%0.273SS..EExtended strand (participates in β ladder)trans-89.6133.6-177.600000111.2S41 A42 G43 V47S41-A45 CarbonylContact C-O 3.57Å; S41-A45 VanDerWaalsContact CA-O 3.31Å; S41-A45 WeakPolarHBondContact CA-O 3.1Å; A42-A45 PolarHBondContact N-O 2.96Å; A42-A45 PolarHBondContact O-N 2.69Å; G43-A45 VanDerWaalsContact C-N 3.28Å; G43-A45 PolarHBondContact O-N 3.35Å; A45-V47 PolarHBondContact O-N 2.88Å
46V91.1Very high92.4Very high49 Ų4948 Ų4830%0.29729%0.294SS..EExtended strand (participates in β ladder)trans-84.7111.8169.8179.60000108.8R39 N48 R49R39-V46 HydrophobicContact CG-CG1 3.95Å; R39-V46 HydrophobicContact CG-CG2 4.33Å; V46-N48 WeakPolarHBondContact CG1-O 3.12Å; V46-R49 HydrophobicContact CG1-CG 3.64Å
47V90.6Very high92.4Very high94 Ų9448.2 Ų48.257%0.5730%0.296SS*.EExtended strand (participates in β ladder)trans-91.5-28.7-177.5-63.50000112.6V40 A42 A45V40-V47 HydrophobicContact CB-CG2 3.99Å; V40-V47 HydrophobicContact CG1-CG2 3.67Å; V40-V47 VanDerWaalsContact O-CG2 3.23Å; V40-V47 WeakPolarHBondContact O-CG2 3.46Å; V40-V47 PolarHBondContact O-N 3.03Å; A42-V47 HydrophobicContact CB-CG1 3.62Å; A45-V47 PolarHBondContact O-N 2.88Å
48N91.4Very high92.3Very high60 Ų6050 Ų5032%0.32130%0.304SS..EExtended strand (participates in β ladder)trans-142.8141.2170.4-165.6-18.3000109.7R39 V40 V46 V50 F51R39-N48 WeakPolarHBondContact CA-O 3.45Å; V40-N48 HydrophobicContact CB-CB 3.97Å; V40-N48 HydrophobicContact CG2-CB 4.13Å; V40-N48 PolarHBondContact N-O 3.15Å; V40-N48 PolarHBondContact O-N 2.85Å; V46-N48 WeakPolarHBondContact CG1-O 3.12Å; N48-V50 PolarHBondContact OD1-N 2.97Å; N48-F51 HydrophobicContact CB-CB 4.36Å
49R91.8Very high92.3Very high173 Ų17357.2 Ų57.265%0.65334%0.338SS*.SBendtrans-105.6-17-179.9-70.4-175.3174.791.10.5113.7S38 V46S38-R49 WeakPolarHBondContact CB-O 3.39Å; S38-R49 CarbonylContact O-C 3.6Å; S38-R49 VanDerWaalsContact O-C 3.28Å; S38-R49 PolarHBondContact OG-O 2.87Å; V46-R49 HydrophobicContact CG1-CG 3.64Å
50V93.9Very high92.4Very high88 Ų8857.4 Ų57.453%0.53334%0.338SS..SBendtrans-136.737.6-168.4-66.80000111.1S38 N48 Y194S38-V50 PolarHBondContact O-N 2.98Å; N48-V50 PolarHBondContact OD1-N 2.97Å; V50-Y194 PolarHBondContact O-OH 3.11Å
51F94.6Very high92.7Very high32 Ų3256.9 Ų56.914%0.1434%0.335CS..  trans-79.4124.6176.4-177.4-100.5000109.8S38 V40 N48 K53 A69 Q73S38-F51 VanDerWaalsContact CA-O 3.24Å; S38-F51 WeakPolarHBondContact CA-O 3.42Å; S38-F51 PolarHBondContact O-N 3.36Å; V40-F51 HydrophobicContact CG2-CB 3.48Å; V40-F51 VanDerWaalsContact CG2-CB 3.48Å; V40-F51 HydrophobicContact CG2-CD1 3.79Å; V40-F51 HydrophobicContact CG2-CD2 4.47Å; V40-F51 HydrophobicContact CG2-CG 3.67Å; N48-F51 HydrophobicContact CB-CB 4.36Å; F51-K53 HydrophobicContact CD1-CG 3.59Å; F51-K53 HydrophobicContact CE1-CG 3.91Å; F51-K53 PolarHBondContact O-N 3.12Å; F51-A69 HydrophobicContact CZ-CB 4.5Å; F51-Q73 VanDerWaalsContact CE2-NE2 3.27Å; F51-Q73 HydrophobicContact CZ-CG 3.98Å; F51-Q73 VanDerWaalsContact CZ-NE2 3.3Å
52D95.1Very high93.3Very high60 Ų6057.6 Ų57.632%0.32134%0.337SS..  trans-79.9115173.5-167.7-12.5000109.7L54 Y194D52-L54 VanDerWaalsContact C-N 3.29Å; D52-L54 WeakPolarHBondContact OD1-CB 3.28Å; D52-L54 PolarHBondContact OD1-N 2.88Å; D52-Y194 HydrophobicContact CB-CD1 4.37Å; D52-Y194 HydrophobicContact CB-CD2 4.15Å; D52-Y194 HydrophobicContact CB-CE1 4.28Å; D52-Y194 HydrophobicContact CB-CE2 4.02Å; D52-Y194 HydrophobicContact CB-CG 4.32Å
53K96.4Very high93.8Very high3 Ų355.8 Ų55.81%0.01332%0.322CS..  trans-89.65.7179.2-55.9176-169179.60111.9G20 T21 D37 R39 F51 A64 L65G20-K53 PolarHBondContact O-NZ 3.48Å; T21-K53 HydrophobicContact CG2-CD 3.75Å; T21-K53 PolarHBondContact OG1-NZ 2.97Å; D37-K53 VanDerWaalsContact CG-NZ 3.27Å; D37-K53 VanDerWaalsContact O-CD 3.22Å; D37-K53 WeakPolarHBondContact O-CD 3.34Å; D37-K53 WeakPolarHBondContact O-CE 3.46Å; D37-K53 IonicContact OD1-NZ 3.9Å; D37-K53 PolarHBondContact OD1-NZ 2.7Å; D37-K53 IonicContact OD2-NZ 3.87Å; D37-K53 PolarHBondContact OD2-NZ 2.76Å; R39-K53 WeakPolarHBondContact O-CE 3.49Å; R39-K53 PolarHBondContact O-NZ 2.79Å; F51-K53 HydrophobicContact CD1-CG 3.59Å; F51-K53 HydrophobicContact CE1-CG 3.91Å; F51-K53 PolarHBondContact O-N 3.12Å; K53-A64 CarbonylContact O-C 3.56Å; K53-A64 WeakPolarHBondContact O-CA 3.49Å; K53-L65 HydrophobicContact CB-CB 4.34Å; K53-L65 WeakPolarHBondContact O-CG 3.18Å; K53-L65 PolarHBondContact O-N 3.11Å
54L97.8Very high94.5Very high4 Ų452.8 Ų52.82%0.02129%0.292CS..EExtended strand (participates in β ladder)trans-104.292179.5-53.2-175.4000109.5V34 S36 D52 Y62 A64 V196V34-L54 HydrophobicContact CB-CD2 4.49Å; V34-L54 HydrophobicContact CG1-CD1 4.47Å; V34-L54 HydrophobicContact CG1-CD2 3.62Å; S36-L54 WeakPolarHBondContact OG-CG 3.43Å; D52-L54 VanDerWaalsContact C-N 3.29Å; D52-L54 WeakPolarHBondContact OD1-CB 3.28Å; D52-L54 PolarHBondContact OD1-N 2.88Å; L54-Y62 HydrophobicContact CB-CD1 4.4Å; L54-A64 HydrophobicContact CD2-CB 3.75Å; L54-V196 HydrophobicContact CB-CG2 4.21Å; L54-V196 HydrophobicContact CD1-CB 4.21Å; L54-V196 HydrophobicContact CD1-CG2 3.6Å
55S97.3Very high95Very high22 Ų2247.6 Ų47.615%0.15425%0.248CC..EExtended strand (participates in β ladder)trans-88.2128.2-178.7-171.70000111.4L57 Y62 C63S55-L57 PolarHBondContact O-N 2.93Å; S55-Y62 CarbonylContact O-C 3.57Å; S55-Y62 WeakPolarHBondContact O-CA 3.42Å; S55-C63 PolarHBondContact N-O 2.88Å; S55-C63 PolarHBondContact O-N 2.83Å
56P97.4Very high95.3Very high69 Ų6945.5 Ų45.545%0.44823%0.23SC..EExtended strand (participates in β ladder)trans-70.2127.4172.629-32.6000110.4Y62P56-Y62 HydrophobicContact CB-CD1 4.3Å; P56-Y62 HydrophobicContact CB-CE1 3.84Å; P56-Y62 HydrophobicContact CB-CE2 4.37Å
57L97.1Very high95.2Very high5 Ų543.5 Ų43.53%0.02622%0.22CC..EExtended strand (participates in β ladder)trans-93.1-32.7169.4-59.9-175.2000111.9S55 I61 C63 A76 A79 A80 L83 A99 V103 V120S55-L57 PolarHBondContact O-N 2.93Å; L57-I61 HydrophobicContact CB-CG2 4.26Å; L57-I61 HydrophobicContact CD1-CG2 4.31Å; L57-I61 PolarHBondContact N-O 3.45Å; L57-C63 HydrophobicContact CD1-CB 3.88Å; L57-C63 HydrophobicContact CD2-CB 3.86Å; L57-C63 HydrophobicContact CG-CB 3.76Å; L57-A76 HydrophobicContact CD2-CB 4.14Å; L57-A76 WeakPolarHBondContact CD2-O 3.45Å; L57-A79 HydrophobicContact CD2-CB 4.1Å; L57-A80 HydrophobicContact CD2-CB 4.4Å; L57-L83 HydrophobicContact CB-CD2 3.93Å; L57-A99 HydrophobicContact CD1-CB 4.38Å; L57-V103 HydrophobicContact CD1-CG2 3.72Å; L57-V120 HydrophobicContact CD1-CG1 4.38Å; L57-V120 HydrophobicContact CD1-CG2 4.3Å
58H96.3Very high95.1Very high37 Ų3740.1 Ų40.117%0.17120%0.2CC..EExtended strand (participates in β ladder)trans-155.8174.4175.1-171.9-98.1000108.5R60 I61 L83 P94H58-R60 PolarHBondContact O-N 3.18Å; H58-I61 HydrophobicContact CB-CB 4.24Å; H58-I61 HydrophobicContact CB-CD1 4.39Å; H58-I61 HydrophobicContact CB-CG1 4.46Å; H58-I61 PolarHBondContact N-O 3.4Å; H58-I61 VanDerWaalsContact N-O 3.13Å; H58-I61 PolarHBondContact O-N 2.96Å; H58-I61 VanDerWaalsContact O-N 3.13Å; H58-I61 VanDerWaalsContact O-O 3.08Å; H58-L83 HydrophobicContact CB-CD2 3.77Å; H58-P94 HydrophobicContact CB-CG 4.12Å; H58-P94 VanDerWaalsContact CE1-CD 3.48Å; H58-P94 WeakPolarHBondContact CE1-CD 3.23Å
59Q94.9Very high95Very high152 Ų15238.3 Ų38.371%0.7119%0.193SC*.THydrogen-bonded Turntrans-50.2-27.9-176.3-61.7-17713.800115.6V203Q59-V203 VanDerWaalsContact O-CG2 3.22Å; Q59-V203 WeakPolarHBondContact O-CG2 3.49Å
60R97.3Very high94.9Very high72 Ų7233.1 Ų33.127%0.27219%0.187SC..THydrogen-bonded Turntrans-133.821.3-178.7-60.5-178.1-174.9-171-9113H58 G122 W123 I198 A200H58-R60 PolarHBondContact O-N 3.18Å; R60-G122 CarbonylContact O-C 3.56Å; R60-G122 WeakPolarHBondContact O-CA 3.08Å; R60-W123 PolarHBondContact O-N 3.4Å; R60-I198 HydrophobicContact CB-CG2 3.98Å; R60-I198 WeakPolarHBondContact O-CG2 3.41Å; R60-A200 PolarHBondContact NH1-O 3.44Å; R60-A200 PolarHBondContact NH2-O 3.46Å
61I98.3Very high94.8Very high1 Ų130.6 Ų30.61%0.00517%0.171CC..EExtended strand (participates in β ladder)trans-135.9123-178.5-55.6174.3000108L57 H58 L83 P94 V96 A99 V120L57-I61 HydrophobicContact CB-CG2 4.26Å; L57-I61 HydrophobicContact CD1-CG2 4.31Å; L57-I61 PolarHBondContact N-O 3.45Å; H58-I61 HydrophobicContact CB-CB 4.24Å; H58-I61 HydrophobicContact CB-CD1 4.39Å; H58-I61 HydrophobicContact CB-CG1 4.46Å; H58-I61 PolarHBondContact N-O 3.4Å; H58-I61 VanDerWaalsContact N-O 3.13Å; H58-I61 PolarHBondContact O-N 2.96Å; H58-I61 VanDerWaalsContact O-N 3.13Å; H58-I61 VanDerWaalsContact O-O 3.08Å; I61-L83 HydrophobicContact CD1-CD2 4.26Å; I61-P94 HydrophobicContact CD1-CG 4.31Å; I61-V96 HydrophobicContact CG1-CG2 4.34Å; I61-A99 HydrophobicContact CD1-CB 4.04Å; I61-A99 HydrophobicContact CG2-CB 3.74Å; I61-V120 HydrophobicContact CG2-CG1 3.81Å
62Y98.4Very high94.7Very high18 Ų1829.1 Ų29.17%0.07116%0.164CC..EExtended strand (participates in β ladder)trans-120.2154.5-178.9-78.8-109.9000110.6L54 S55 P56 V120 A121 V196 I198 V203 H205L54-Y62 HydrophobicContact CB-CD1 4.4Å; S55-Y62 CarbonylContact O-C 3.57Å; S55-Y62 WeakPolarHBondContact O-CA 3.42Å; P56-Y62 HydrophobicContact CB-CD1 4.3Å; P56-Y62 HydrophobicContact CB-CE1 3.84Å; P56-Y62 HydrophobicContact CB-CE2 4.37Å; Y62-V120 WeakPolarHBondContact O-CA 3.38Å; Y62-A121 PolarHBondContact N-O 3.35Å; Y62-A121 PolarHBondContact O-N 3.48Å; Y62-A121 VanDerWaalsContact O-O 3.09Å; Y62-V196 HydrophobicContact CD1-CG1 4.14Å; Y62-V196 HydrophobicContact CD1-CG2 4.29Å; Y62-V196 HydrophobicContact CD2-CG1 4.13Å; Y62-V196 HydrophobicContact CE1-CG1 4.03Å; Y62-V196 HydrophobicContact CE1-CG2 4.19Å; Y62-V196 HydrophobicContact CE2-CG1 4.05Å; Y62-V196 HydrophobicContact CG-CG1 4.19Å; Y62-I198 HydrophobicContact CD2-CD1 3.49Å; Y62-I198 VanDerWaalsContact CD2-CD1 3.49Å; Y62-I198 HydrophobicContact CD2-CG1 4.2Å; Y62-I198 HydrophobicContact CE2-CD1 4.32Å; Y62-I198 HydrophobicContact CG-CD1 4.06Å; Y62-V203 HydrophobicContact CE2-CG1 3.96Å; Y62-V203 HydrophobicContact CE2-CG2 4.16Å; Y62-H205 AromaticContact CE1-CE1 3.66Å; Y62-H205 AromaticContact CZ-CE1 3.73Å; Y62-H205 AromaticContact CZ-NE2 3.79Å; Y62-H205 PolarHBondContact OH-CE1 2.81Å; Y62-H205 VanDerWaalsContact OH-CE1 3.22Å; Y62-H205 PolarHBondContact OH-NE2 2.91Å
63C96.8Very high94.6Very high0 Ų030.1 Ų30.10%017%0.167CC..EExtended strand (participates in β ladder)trans-120.6120.2174.7-168.20000109S55 L57 L65 M119S55-C63 PolarHBondContact N-O 2.88Å; S55-C63 PolarHBondContact O-N 2.83Å; L57-C63 HydrophobicContact CD1-CB 3.88Å; L57-C63 HydrophobicContact CD2-CB 3.86Å; L57-C63 HydrophobicContact CG-CB 3.76Å; C63-L65 HydrophobicContact CB-CD2 4.29Å; C63-M119 CarbonylContact C-O 3.58Å; C63-M119 VanDerWaalsContact CA-O 3.32Å; C63-M119 WeakPolarHBondContact CA-O 3.15Å
64A97.1Very high94.5Very high0 Ų032 Ų320%018%0.184CC..EExtended strand (participates in β ladder)trans-84.6127.3169.600000109.8I23 V34 K53 L54 M119I23-A64 HydrophobicContact CB-CB 3.86Å; I23-A64 HydrophobicContact CD1-CB 3.91Å; I23-A64 HydrophobicContact CG1-CB 4.49Å; I23-A64 HydrophobicContact CG2-CB 3.8Å; V34-A64 HydrophobicContact CG1-CB 4.04Å; K53-A64 CarbonylContact O-C 3.56Å; K53-A64 WeakPolarHBondContact O-CA 3.49Å; L54-A64 HydrophobicContact CD2-CB 3.75Å; A64-M119 HydrophobicContact CB-CB 4.29Å; A64-M119 PolarHBondContact N-O 3.11Å; A64-M119 PolarHBondContact O-N 2.97Å; A64-M119 VanDerWaalsContact O-N 3.15Å
65L94.9Very high94.3Very high5 Ų531.9 Ų31.93%0.02618%0.183CC..EExtended strand (participates in β ladder)trans-98.8129.3-170.3-52.9-172.6000111.2K53 C63 A72 Q73 A76 L118K53-L65 HydrophobicContact CB-CB 4.34Å; K53-L65 WeakPolarHBondContact O-CG 3.18Å; K53-L65 PolarHBondContact O-N 3.11Å; C63-L65 HydrophobicContact CB-CD2 4.29Å; L65-A72 HydrophobicContact CB-CB 3.9Å; L65-A72 HydrophobicContact CD1-CB 4.43Å; L65-A72 HydrophobicContact CD2-CB 4.3Å; L65-A72 HydrophobicContact CG-CB 4.42Å; L65-Q73 HydrophobicContact CD1-CG 3.83Å; L65-A76 HydrophobicContact CD2-CB 3.89Å; L65-L118 HydrophobicContact CB-CD2 4.41Å; L65-L118 HydrophobicContact CD2-CD2 3.51Å
66S91.9Very high94.3Very high11 Ų1130.9 Ų30.98%0.07718%0.176CC..EExtended strand (participates in β ladder)trans-140.3152.4171.7174.60000111A116 H117 G148S66-A116 WeakPolarHBondContact O-CA 3.39Å; S66-H117 WeakPolarHBondContact CB-O 3.32Å; S66-H117 PolarHBondContact N-O 3.28Å; S66-H117 PolarHBondContact O-N 3.43Å; S66-G148 VanDerWaalsContact OG-CA 3.24Å; S66-G148 WeakPolarHBondContact OG-CA 3.49Å
67G89.5Confident94.2Very high8 Ų832.5 Ų32.58%0.08218%0.181CC..EExtended strand (participates in β ladder)trans107.5-139.4-178.800000112.3T19 A69T19-G67 PolarHBondContact OG1-O 3.08Å; G67-A69 PolarHBondContact O-N 3.39Å
68S89.9Confident94.2Very high23 Ų2335.6 Ų35.616%0.16120%0.196CC..SBendtrans-67.1120.8168168.70000108.8A70 D71 A72 L115S68-A70 VanDerWaalsContact C-N 3.27Å; S68-A70 PolarHBondContact O-N 3.34Å; S68-D71 WeakPolarHBondContact CB-OD2 3.4Å; S68-D71 PolarHBondContact O-N 2.91Å; S68-D71 VanDerWaalsContact OG-CG 3.26Å; S68-D71 PolarHBondContact OG-N 3.08Å; S68-D71 PolarHBondContact OG-OD2 2.86Å; S68-A72 WeakPolarHBondContact O-CB 3.35Å; S68-A72 PolarHBondContact O-N 2.91Å; S68-L115 WeakPolarHBondContact CB-O 3.22Å; S68-L115 PolarHBondContact N-O 2.78Å
69A87.5Confident94.2Very high21 Ų2133.9 Ų33.917%0.17419%0.189CC..Hα-helixtrans-58.6-41.2-178.700000111.8T19 V40 F51 G67 Q73T19-A69 HydrophobicContact CG2-CB 4.44Å; V40-A69 HydrophobicContact CG1-CB 4.38Å; F51-A69 HydrophobicContact CZ-CB 4.5Å; G67-A69 PolarHBondContact O-N 3.39Å; A69-Q73 WeakPolarHBondContact O-CB 3.34Å; A69-Q73 VanDerWaalsContact O-CG 3.25Å; A69-Q73 WeakPolarHBondContact O-CG 3.48Å; A69-Q73 PolarHBondContact O-N 3.22Å
70A89.9Confident94.3Very high64 Ų6427.7 Ų27.753%0.52916%0.163SC..Hα-helixtrans-65.3-45179.100000112S68 A74S68-A70 VanDerWaalsContact C-N 3.27Å; S68-A70 PolarHBondContact O-N 3.34Å; A70-A74 WeakPolarHBondContact O-CB 3.18Å; A70-A74 PolarHBondContact O-N 3.43Å
71D92.1Very high94.3Very high36 Ų3631.6 Ų31.619%0.19318%0.179CC..Hα-helixtrans-67-44.2-179-61-11.2000110.9S68 Q73 A74 I75 L114 L115 A116S68-D71 WeakPolarHBondContact CB-OD2 3.4Å; S68-D71 PolarHBondContact O-N 2.91Å; S68-D71 VanDerWaalsContact OG-CG 3.26Å; S68-D71 PolarHBondContact OG-N 3.08Å; S68-D71 PolarHBondContact OG-OD2 2.86Å; D71-Q73 PolarHBondContact O-N 2.91Å; D71-A74 PolarHBondContact O-N 3.49Å; D71-I75 WeakPolarHBondContact O-CG1 3.22Å; D71-I75 PolarHBondContact O-N 2.68Å; D71-L114 HydrophobicContact CB-CB 4.09Å; D71-L114 HydrophobicContact CB-CD2 3.93Å; D71-L114 HydrophobicContact CB-CG 4.49Å; D71-L115 PolarHBondContact OD2-N 2.88Å; D71-A116 HydrophobicContact CB-CB 4.46Å
72A92.3Very high94.3Very high0 Ų035.4 Ų35.40%020%0.197CC..Hα-helixtrans-63.7-41.7179.900000111.8L65 S68 A76 A116 L118L65-A72 HydrophobicContact CB-CB 3.9Å; L65-A72 HydrophobicContact CD1-CB 4.43Å; L65-A72 HydrophobicContact CD2-CB 4.3Å; L65-A72 HydrophobicContact CG-CB 4.42Å; S68-A72 WeakPolarHBondContact O-CB 3.35Å; S68-A72 PolarHBondContact O-N 2.91Å; A72-A76 WeakPolarHBondContact O-CB 3.34Å; A72-A76 PolarHBondContact O-N 3.13Å; A72-A116 HydrophobicContact CB-CB 4.05Å; A72-L118 HydrophobicContact CB-CD2 3.96Å
73Q93.4Very high94.1Very high81 Ų8134.6 Ų34.638%0.37919%0.194SC..Hα-helixtrans-62.9-47.3173.7-76-177.6-50.600111.8F51 L65 A69 D71 I75 A76 D77F51-Q73 VanDerWaalsContact CE2-NE2 3.27Å; F51-Q73 HydrophobicContact CZ-CG 3.98Å; F51-Q73 VanDerWaalsContact CZ-NE2 3.3Å; L65-Q73 HydrophobicContact CD1-CG 3.83Å; A69-Q73 WeakPolarHBondContact O-CB 3.34Å; A69-Q73 VanDerWaalsContact O-CG 3.25Å; A69-Q73 WeakPolarHBondContact O-CG 3.48Å; A69-Q73 PolarHBondContact O-N 3.22Å; D71-Q73 PolarHBondContact O-N 2.91Å; Q73-I75 VanDerWaalsContact C-N 3.3Å; Q73-I75 PolarHBondContact O-N 2.85Å; Q73-A76 PolarHBondContact O-N 3.13Å; Q73-A76 VanDerWaalsContact O-N 3.1Å; Q73-D77 PolarHBondContact O-N 2.97Å
74A94.6Very high94.1Very high44 Ų4439.7 Ų39.736%0.36422%0.217SC..Hα-helixtrans-58.6-42.5179.300000112A70 D71 D77 M78A70-A74 WeakPolarHBondContact O-CB 3.18Å; A70-A74 PolarHBondContact O-N 3.43Å; D71-A74 PolarHBondContact O-N 3.49Å; A74-D77 PolarHBondContact O-N 2.93Å; A74-M78 WeakPolarHBondContact O-CB 3.44Å; A74-M78 WeakPolarHBondContact O-CG 3.22Å; A74-M78 PolarHBondContact O-N 3.39Å
75I94.4Very high94Very high1 Ų142.9 Ų42.91%0.00523%0.234CC..Hα-helixtrans-65.2-42.4176.2-65.1167.1000111.1D71 Q73 M78 A79 I106 L114 A116 L118D71-I75 WeakPolarHBondContact O-CG1 3.22Å; D71-I75 PolarHBondContact O-N 2.68Å; Q73-I75 VanDerWaalsContact C-N 3.3Å; Q73-I75 PolarHBondContact O-N 2.85Å; I75-M78 PolarHBondContact O-N 2.83Å; I75-A79 VanDerWaalsContact O-CB 3.3Å; I75-A79 WeakPolarHBondContact O-CB 3.45Å; I75-A79 PolarHBondContact O-N 2.82Å; I75-I106 HydrophobicContact CB-CG2 4.34Å; I75-I106 HydrophobicContact CG1-CG2 4.09Å; I75-I106 HydrophobicContact CG2-CB 4.2Å; I75-I106 HydrophobicContact CG2-CG2 3.82Å; I75-L114 HydrophobicContact CD1-CB 4.22Å; I75-L114 HydrophobicContact CD1-CD1 3.72Å; I75-L114 HydrophobicContact CG1-CD1 3.61Å; I75-A116 HydrophobicContact CD1-CB 3.63Å; I75-L118 HydrophobicContact CB-CD1 3.85Å; I75-L118 HydrophobicContact CD1-CD1 4.41Å; I75-L118 HydrophobicContact CG2-CD1 3.32Å
76A95.9Very high93.9Very high0 Ų045.7 Ų45.70%025%0.247CC..Hα-helixtrans-62.5-44.2178.200000111.8L57 L65 A72 Q73 A79 A80L57-A76 HydrophobicContact CD2-CB 4.14Å; L57-A76 WeakPolarHBondContact CD2-O 3.45Å; L65-A76 HydrophobicContact CD2-CB 3.89Å; A72-A76 WeakPolarHBondContact O-CB 3.34Å; A72-A76 PolarHBondContact O-N 3.13Å; Q73-A76 PolarHBondContact O-N 3.13Å; Q73-A76 VanDerWaalsContact O-N 3.1Å; A76-A79 PolarHBondContact O-N 2.92Å; A76-A80 WeakPolarHBondContact O-CB 3.48Å; A76-A80 PolarHBondContact O-N 3.27Å
77D96.8Very high93.9Very high103 Ų10345.8 Ų45.855%0.55125%0.249SC*.Hα-helixtrans-63.9-43.6178.1-67.7-16000111.6Q73 A74 A79 A80 Y81Q73-D77 PolarHBondContact O-N 2.97Å; A74-D77 PolarHBondContact O-N 2.93Å; D77-A79 VanDerWaalsContact C-N 3.31Å; D77-A79 PolarHBondContact O-N 3.01Å; D77-A80 PolarHBondContact O-N 3.1Å; D77-Y81 WeakPolarHBondContact O-CB 3.29Å; D77-Y81 PolarHBondContact O-N 3.46Å
78M96.4Very high94.1Very high70 Ų7051 Ų5135%0.34528%0.275SS..Hα-helixtrans-62.1-39.5174.7-71.6174.468.700112A74 I75 Q82 I106 Y110A74-M78 WeakPolarHBondContact O-CB 3.44Å; A74-M78 WeakPolarHBondContact O-CG 3.22Å; A74-M78 PolarHBondContact O-N 3.39Å; I75-M78 PolarHBondContact O-N 2.83Å; M78-Q82 WeakPolarHBondContact O-CG 3.36Å; M78-Q82 PolarHBondContact O-N 3.48Å; M78-Q82 VanDerWaalsContact O-N 3.15Å; M78-I106 HydrophobicContact CB-CD1 3.95Å; M78-I106 HydrophobicContact CE-CG2 4.16Å; M78-I106 HydrophobicContact SD-CG2 4.36Å; M78-Y110 HydrophobicContact CE-CE2 3.92Å
79A96.5Very high94.3Very high2 Ų257.2 Ų57.22%0.01730%0.301CS..Hα-helixtrans-69-45178.500000111.5L57 I75 A76 D77 Y81 Q82 L83 I102 V103 I106L57-A79 HydrophobicContact CD2-CB 4.1Å; I75-A79 VanDerWaalsContact O-CB 3.3Å; I75-A79 WeakPolarHBondContact O-CB 3.45Å; I75-A79 PolarHBondContact O-N 2.82Å; A76-A79 PolarHBondContact O-N 2.92Å; D77-A79 VanDerWaalsContact C-N 3.31Å; D77-A79 PolarHBondContact O-N 3.01Å; A79-Y81 VanDerWaalsContact C-N 3.32Å; A79-Y81 PolarHBondContact O-N 2.99Å; A79-Q82 PolarHBondContact O-N 2.77Å; A79-L83 WeakPolarHBondContact O-CB 3.45Å; A79-L83 PolarHBondContact O-N 2.91Å; A79-I102 HydrophobicContact CB-CG2 3.84Å; A79-V103 HydrophobicContact CB-CG2 3.68Å; A79-I106 HydrophobicContact CB-CD1 4Å
80A97.4Very high94.5Very high22 Ų2260.7 Ų60.718%0.18232%0.317CS..Hα-helixtrans-57.5-45.9176.200000111L57 A76 D77 Q82 L83 E84L57-A80 HydrophobicContact CD2-CB 4.4Å; A76-A80 WeakPolarHBondContact O-CB 3.48Å; A76-A80 PolarHBondContact O-N 3.27Å; D77-A80 PolarHBondContact O-N 3.1Å; A80-Q82 PolarHBondContact O-N 2.83Å; A80-L83 PolarHBondContact O-N 2.95Å; A80-E84 WeakPolarHBondContact O-CB 3.3Å; A80-E84 PolarHBondContact O-N 2.95Å
81Y97.1Very high94.7Very high154 Ų15466.4 Ų66.460%0.60433%0.332SS*.Hα-helixtrans-60.2-46.9176.5176-103.3000113.2D77 A79 L83 E84 L85D77-Y81 WeakPolarHBondContact O-CB 3.29Å; D77-Y81 PolarHBondContact O-N 3.46Å; A79-Y81 VanDerWaalsContact C-N 3.32Å; A79-Y81 PolarHBondContact O-N 2.99Å; Y81-L83 VanDerWaalsContact C-N 3.29Å; Y81-L83 PolarHBondContact O-N 3.5Å; Y81-E84 PolarHBondContact O-N 2.92Å; Y81-L85 HydrophobicContact CD1-CD1 4.17Å; Y81-L85 HydrophobicContact CE1-CD1 3.51Å; Y81-L85 HydrophobicContact CE1-CG 4.43Å; Y81-L85 HydrophobicContact CE2-CD1 4.23Å; Y81-L85 HydrophobicContact CE2-CG 4.42Å; Y81-L85 WeakPolarHBondContact O-CG 3.3Å; Y81-L85 PolarHBondContact O-N 3.29Å
82Q96.6Very high94.6Very high81 Ų8170.3 Ų70.338%0.37935%0.35SS..Hα-helixtrans-65.3-35.2177.8-72.817930.400112.1M78 A79 A80 H86 I102M78-Q82 WeakPolarHBondContact O-CG 3.36Å; M78-Q82 PolarHBondContact O-N 3.48Å; M78-Q82 VanDerWaalsContact O-N 3.15Å; A79-Q82 PolarHBondContact O-N 2.77Å; A80-Q82 PolarHBondContact O-N 2.83Å; Q82-H86 WeakPolarHBondContact O-CB 3.29Å; Q82-H86 PolarHBondContact O-N 3.19Å; Q82-I102 HydrophobicContact CB-CD1 4.24Å; Q82-I102 HydrophobicContact CB-CG2 4.05Å
83L96.2Very high94.6Very high1 Ų174.1 Ų74.11%0.00537%0.374CS..Hα-helixtrans-71.5-38.9-179.8-165.964.8000111.9L57 H58 I61 A79 A80 Y81 H86 G87 P94 A99 I102L57-L83 HydrophobicContact CB-CD2 3.93Å; H58-L83 HydrophobicContact CB-CD2 3.77Å; I61-L83 HydrophobicContact CD1-CD2 4.26Å; A79-L83 WeakPolarHBondContact O-CB 3.45Å; A79-L83 PolarHBondContact O-N 2.91Å; A80-L83 PolarHBondContact O-N 2.95Å; Y81-L83 VanDerWaalsContact C-N 3.29Å; Y81-L83 PolarHBondContact O-N 3.5Å; L83-H86 PolarHBondContact O-N 2.96Å; L83-G87 PolarHBondContact O-N 2.89Å; L83-P94 HydrophobicContact CD1-CB 3.43Å; L83-P94 VanDerWaalsContact CD1-CB 3.43Å; L83-P94 HydrophobicContact CD1-CG 3.94Å; L83-P94 HydrophobicContact CD2-CB 4.5Å; L83-P94 HydrophobicContact CD2-CG 4.16Å; L83-P94 HydrophobicContact CG-CB 3.84Å; L83-P94 HydrophobicContact CG-CG 3.73Å; L83-A99 HydrophobicContact CD1-CB 3.9Å; L83-A99 HydrophobicContact CD2-CB 3.61Å; L83-A99 HydrophobicContact CG-CB 4.44Å; L83-I102 HydrophobicContact CB-CD1 4.43Å; L83-I102 HydrophobicContact CD1-CD1 3.96Å
84E95.1Very high94.7Very high106 Ų10670.7 Ų70.750%0.49536%0.359SS..Hα-helixtrans-59.8-50.6173-170.385.3-171.600110.6A80 Y81 H86 G87 L88A80-E84 WeakPolarHBondContact O-CB 3.3Å; A80-E84 PolarHBondContact O-N 2.95Å; Y81-E84 PolarHBondContact O-N 2.92Å; E84-H86 VanDerWaalsContact C-N 3.3Å; E84-H86 PolarHBondContact O-N 3.38Å; E84-G87 PolarHBondContact O-N 3.03Å; E84-L88 HydrophobicContact CG-CD1 4.45Å; E84-L88 WeakPolarHBondContact O-CG 3.31Å; E84-L88 PolarHBondContact O-N 2.77Å
85L95Very high94.9Very high68 Ų6870.9 Ų70.936%0.35635%0.353SS..Hα-helixtrans-58.7-43.5176.5-71.3177.4000111.8Y81 G87 L88 E89Y81-L85 HydrophobicContact CD1-CD1 4.17Å; Y81-L85 HydrophobicContact CE1-CD1 3.51Å; Y81-L85 HydrophobicContact CE1-CG 4.43Å; Y81-L85 HydrophobicContact CE2-CD1 4.23Å; Y81-L85 HydrophobicContact CE2-CG 4.42Å; Y81-L85 WeakPolarHBondContact O-CG 3.3Å; Y81-L85 PolarHBondContact O-N 3.29Å; L85-G87 VanDerWaalsContact C-N 3.34Å; L85-G87 PolarHBondContact O-N 2.87Å; L85-L88 PolarHBondContact O-N 2.9Å; L85-E89 WeakPolarHBondContact O-CG 3.49Å; L85-E89 PolarHBondContact O-N 3.42Å
86H93.1Very high95Very high64 Ų6470.8 Ų70.830%0.29635%0.353SS..Hα-helixtrans-61.2-42177.8-175.563.2000112.5Q82 L83 E84 E89 L90Q82-H86 WeakPolarHBondContact O-CB 3.29Å; Q82-H86 PolarHBondContact O-N 3.19Å; L83-H86 PolarHBondContact O-N 2.96Å; E84-H86 VanDerWaalsContact C-N 3.3Å; E84-H86 PolarHBondContact O-N 3.38Å; H86-E89 PolarHBondContact O-N 3.29Å; H86-L90 WeakPolarHBondContact CE1-CD1 3.19Å; H86-L90 WeakPolarHBondContact NE2-CD1 3.47Å; H86-L90 WeakPolarHBondContact O-CG 3.46Å; H86-L90 PolarHBondContact O-N 3.35Å
87G92.1Very high95.1Very high12 Ų1274.1 Ų74.112%0.12437%0.37CS..Hα-helixtrans-66.4-38.2176.200000112.8L83 E84 L85 E91 E92L83-G87 PolarHBondContact O-N 2.89Å; E84-G87 PolarHBondContact O-N 3.03Å; L85-G87 VanDerWaalsContact C-N 3.34Å; L85-G87 PolarHBondContact O-N 2.87Å; G87-E91 WeakPolarHBondContact O-CA 3.28Å; G87-E91 PolarHBondContact O-N 3.19Å; G87-E92 WeakPolarHBondContact CA-O 3.36Å; G87-E92 PolarHBondContact O-N 3.21Å
88L93.8Very high95.1Very high117 Ų11770.3 Ų70.361%0.61335%0.354SS*.Hα-helixtrans-66.5-41175.8-69.9173.4000112.5E84 L85 L90 E91E84-L88 HydrophobicContact CG-CD1 4.45Å; E84-L88 WeakPolarHBondContact O-CG 3.31Å; E84-L88 PolarHBondContact O-N 2.77Å; L85-L88 PolarHBondContact O-N 2.9Å; L88-L90 VanDerWaalsContact C-N 3.34Å; L88-E91 PolarHBondContact O-N 3Å
89E93.8Very high95.1Very high154 Ų15467 Ų6772%0.7234%0.338SS*.Hα-helixtrans-66.3-35.5178.5-75.8177.1174.800112.9L85 H86L85-E89 WeakPolarHBondContact O-CG 3.49Å; L85-E89 PolarHBondContact O-N 3.42Å; H86-E89 PolarHBondContact O-N 3.29Å
90L93Very high95.1Very high95 Ų9567 Ų6750%0.49734%0.337SS..Hα-helixtrans-90.7-10.3-179.1-65.6-176.5000113.7H86 L88 E92H86-L90 WeakPolarHBondContact CE1-CD1 3.19Å; H86-L90 WeakPolarHBondContact NE2-CD1 3.47Å; H86-L90 WeakPolarHBondContact O-CG 3.46Å; H86-L90 PolarHBondContact O-N 3.35Å; L88-L90 VanDerWaalsContact C-N 3.34Å; L90-E92 HydrophobicContact CB-CB 4.44Å; L90-E92 PolarHBondContact O-N 3.07Å; L90-E92 VanDerWaalsContact O-N 3.12Å
91E92.8Very high95Very high184 Ų18468.2 Ų68.286%0.8634%0.34SS*.THydrogen-bonded Turntrans52.626.1-171.2-58.2-176174.800113.1G87 L88G87-E91 WeakPolarHBondContact O-CA 3.28Å; G87-E91 PolarHBondContact O-N 3.19Å; L88-E91 PolarHBondContact O-N 3Å
92E91.2Very high95Very high118 Ų11862 Ų6255%0.55132%0.318SS*.SBendtrans-133.3145.6-177.5-74.8-173.3178.600110.7G87 L90G87-E92 WeakPolarHBondContact CA-O 3.36Å; G87-E92 PolarHBondContact O-N 3.21Å; L90-E92 HydrophobicContact CB-CB 4.44Å; L90-E92 PolarHBondContact O-N 3.07Å; L90-E92 VanDerWaalsContact O-N 3.12Å
93P92.5Very high94.9Very high80 Ų8058.2 Ų58.252%0.51930%0.3SS..PPolyproline II helixtrans-57.5133.1170.6-22.833.3000110.9
94P95.5Very high94.8Very high9 Ų960.2 Ų60.26%0.05831%0.309CS..PPolyproline II helixtrans-66148.5-177.826.9-34.5000111.9H58 I61 L83H58-P94 HydrophobicContact CB-CG 4.12Å; H58-P94 VanDerWaalsContact CE1-CD 3.48Å; H58-P94 WeakPolarHBondContact CE1-CD 3.23Å; I61-P94 HydrophobicContact CD1-CG 4.31Å; L83-P94 HydrophobicContact CD1-CB 3.43Å; L83-P94 VanDerWaalsContact CD1-CB 3.43Å; L83-P94 HydrophobicContact CD1-CG 3.94Å; L83-P94 HydrophobicContact CD2-CB 4.5Å; L83-P94 HydrophobicContact CD2-CG 4.16Å; L83-P94 HydrophobicContact CG-CB 3.84Å; L83-P94 HydrophobicContact CG-CG 3.73Å
95L96.9Very high94.8Very high47 Ų4759.4 Ų59.425%0.24631%0.308CS..PPolyproline II helixtrans-77.3151.3175.1-55.6178.4000111.4L97 A98 A99 D124 R126L95-L97 VanDerWaalsContact C-N 3.26Å; L95-L97 PolarHBondContact O-N 2.93Å; L95-A98 HydrophobicContact CB-CB 4.32Å; L95-A98 WeakPolarHBondContact O-CB 3.47Å; L95-A98 PolarHBondContact O-N 2.86Å; L95-A98 VanDerWaalsContact O-N 3.07Å; L95-A99 PolarHBondContact O-N 3.16Å; L95-D124 WeakPolarHBondContact CA-OD2 3.47Å; L95-D124 HydrophobicContact CD2-CB 4.16Å; L95-R126 HydrophobicContact CD2-CB 4.33Å; L95-R126 HydrophobicContact CD2-CG 3.82Å
96V97.8Very high94.7Very high0 Ų056.5 Ų56.50%029%0.292CS..Hα-helixtrans-62.3-39.2177.6-170.50000110.4I61 A98 A99 A100 V120 D124 Q130 Y132I61-V96 HydrophobicContact CG1-CG2 4.34Å; V96-A98 VanDerWaalsContact C-N 3.28Å; V96-A98 PolarHBondContact O-N 3.33Å; V96-A99 PolarHBondContact O-N 3Å; V96-A100 WeakPolarHBondContact O-CB 3.41Å; V96-A100 PolarHBondContact O-N 2.68Å; V96-V120 HydrophobicContact CG1-CG1 4.24Å; V96-D124 HydrophobicContact CG2-CB 4.02Å; V96-D124 PolarHBondContact N-OD2 2.89Å; V96-Q130 HydrophobicContact CB-CB 4.26Å; V96-Q130 VanDerWaalsContact CB-OE1 3.25Å; V96-Q130 HydrophobicContact CG1-CB 4.12Å; V96-Q130 HydrophobicContact CG2-CB 4.49Å; V96-Q130 VanDerWaalsContact CG2-OE1 3.25Å; V96-Y132 HydrophobicContact CB-CE2 4.45Å; V96-Y132 HydrophobicContact CG1-CD2 4Å; V96-Y132 HydrophobicContact CG1-CE2 4.1Å
97L96.9Very high94.6Very high69 Ų6954.5 Ų54.536%0.36129%0.285SS..Hα-helixtrans-61.9-34.5176.3179.860.8000112.7L95 N101 Y132 L139L95-L97 VanDerWaalsContact C-N 3.26Å; L95-L97 PolarHBondContact O-N 2.93Å; L97-N101 WeakPolarHBondContact CD1-ND2 3.37Å; L97-N101 WeakPolarHBondContact O-CB 3.41Å; L97-N101 PolarHBondContact O-N 3.29Å; L97-N101 PolarHBondContact O-ND2 2.87Å; L97-Y132 HydrophobicContact CD1-CE1 3.93Å; L97-L139 HydrophobicContact CD1-CD2 3.87Å
98A96.5Very high94.5Very high24 Ų2459.8 Ų59.820%0.19830%0.302CS..Hα-helixtrans-67.6-47.8177.300000110.4L95 V96 A100 N101 I102L95-A98 HydrophobicContact CB-CB 4.32Å; L95-A98 WeakPolarHBondContact O-CB 3.47Å; L95-A98 PolarHBondContact O-N 2.86Å; L95-A98 VanDerWaalsContact O-N 3.07Å; V96-A98 VanDerWaalsContact C-N 3.28Å; V96-A98 PolarHBondContact O-N 3.33Å; A98-A100 VanDerWaalsContact C-N 3.34Å; A98-A100 PolarHBondContact O-N 3.36Å; A98-N101 PolarHBondContact O-N 3.02Å; A98-I102 PolarHBondContact O-N 2.93Å
99A97.1Very high94.4Very high1 Ų161.2 Ų61.21%0.00830%0.304CS..Hα-helixtrans-57.3-46.3174.500000112L57 I61 L83 L95 V96 N101 I102 V103 V120L57-A99 HydrophobicContact CD1-CB 4.38Å; I61-A99 HydrophobicContact CD1-CB 4.04Å; I61-A99 HydrophobicContact CG2-CB 3.74Å; L83-A99 HydrophobicContact CD1-CB 3.9Å; L83-A99 HydrophobicContact CD2-CB 3.61Å; L83-A99 HydrophobicContact CG-CB 4.44Å; L95-A99 PolarHBondContact O-N 3.16Å; V96-A99 PolarHBondContact O-N 3Å; A99-N101 VanDerWaalsContact C-N 3.3Å; A99-N101 PolarHBondContact O-N 3.14Å; A99-I102 PolarHBondContact O-N 2.93Å; A99-V103 WeakPolarHBondContact O-CG2 3.37Å; A99-V103 PolarHBondContact O-N 2.79Å; A99-V120 HydrophobicContact CB-CG1 4.27Å
100A96.8Very high94.3Very high0 Ų057.1 Ų57.10%028%0.282CS..Hα-helixtrans-64.9-34.3-179.600000112.5V96 A98 K104 V120 Y132 L139V96-A100 WeakPolarHBondContact O-CB 3.41Å; V96-A100 PolarHBondContact O-N 2.68Å; A98-A100 VanDerWaalsContact C-N 3.34Å; A98-A100 PolarHBondContact O-N 3.36Å; A100-K104 VanDerWaalsContact O-CB 3.24Å; A100-K104 WeakPolarHBondContact O-CB 3.47Å; A100-K104 PolarHBondContact O-N 3.21Å; A100-V120 HydrophobicContact CB-CB 4Å; A100-V120 HydrophobicContact CB-CG1 4.08Å; A100-V120 HydrophobicContact CB-CG2 4.35Å; A100-Y132 HydrophobicContact CB-CD1 4.48Å; A100-Y132 HydrophobicContact CB-CD2 3.91Å; A100-Y132 HydrophobicContact CB-CG 3.82Å; A100-L139 HydrophobicContact CB-CD1 3.73Å; A100-L139 HydrophobicContact CB-CD2 4.15Å
101N96.1Very high94Very high48 Ų4859 Ų5926%0.25728%0.283SS..Hα-helixtrans-69-39.5172.4-86.3-68.7000113.2L97 A98 A99 K104 N105L97-N101 WeakPolarHBondContact CD1-ND2 3.37Å; L97-N101 WeakPolarHBondContact O-CB 3.41Å; L97-N101 PolarHBondContact O-N 3.29Å; L97-N101 PolarHBondContact O-ND2 2.87Å; A98-N101 PolarHBondContact O-N 3.02Å; A99-N101 VanDerWaalsContact C-N 3.3Å; A99-N101 PolarHBondContact O-N 3.14Å; N101-K104 PolarHBondContact O-N 3.38Å; N101-K104 PolarHBondContact OD1-NZ 2.83Å; N101-N105 VanDerWaalsContact O-CB 3.3Å; N101-N105 WeakPolarHBondContact O-CB 3.29Å; N101-N105 PolarHBondContact O-N 3.05Å; N101-N105 PolarHBondContact O-ND2 2.68Å; N101-N105 PolarHBondContact O-OD1 3.38Å
102I95.6Very high93.7Very high25 Ų2555.6 Ų55.613%0.12827%0.267CS..Hα-helixtrans-61.3-50.7175.2-72.7167.3000109.9A79 Q82 L83 A98 A99 K104 N105 I106A79-I102 HydrophobicContact CB-CG2 3.84Å; Q82-I102 HydrophobicContact CB-CD1 4.24Å; Q82-I102 HydrophobicContact CB-CG2 4.05Å; L83-I102 HydrophobicContact CB-CD1 4.43Å; L83-I102 HydrophobicContact CD1-CD1 3.96Å; A98-I102 PolarHBondContact O-N 2.93Å; A99-I102 PolarHBondContact O-N 2.93Å; I102-K104 VanDerWaalsContact C-N 3.34Å; I102-K104 PolarHBondContact O-N 3.3Å; I102-N105 PolarHBondContact O-N 3.2Å; I102-N105 VanDerWaalsContact O-N 3.14Å; I102-I106 HydrophobicContact CG2-CD1 3.71Å; I102-I106 HydrophobicContact CG2-CG1 4.47Å; I102-I106 WeakPolarHBondContact O-CG1 3.27Å; I102-I106 PolarHBondContact O-N 2.98Å
103V95.4Very high93.5Very high0 Ų055 Ų550%027%0.267CS..Hα-helixtrans-57.6-46.9177.91730000111.1L57 A79 A99 N105 I106 S107 L118 V120 T134L57-V103 HydrophobicContact CD1-CG2 3.72Å; A79-V103 HydrophobicContact CB-CG2 3.68Å; A99-V103 WeakPolarHBondContact O-CG2 3.37Å; A99-V103 PolarHBondContact O-N 2.79Å; V103-N105 PolarHBondContact O-N 3.46Å; V103-I106 PolarHBondContact O-N 2.84Å; V103-S107 VanDerWaalsContact O-CB 3.28Å; V103-S107 WeakPolarHBondContact O-CB 3.35Å; V103-S107 PolarHBondContact O-N 3.06Å; V103-S107 PolarHBondContact O-OG 3.06Å; V103-L118 HydrophobicContact CG1-CB 3.74Å; V103-L118 HydrophobicContact CG1-CD1 3.56Å; V103-L118 HydrophobicContact CG1-CG 4.29Å; V103-V120 HydrophobicContact CB-CG2 3.94Å; V103-V120 HydrophobicContact CG1-CG2 4.07Å; V103-V120 HydrophobicContact CG2-CG2 3.76Å; V103-T134 HydrophobicContact CG1-CG2 4.21Å
104K94.6Very high93.1Very high44 Ų4453.3 Ų53.319%0.19125%0.254CS..Hα-helixtrans-58.3-46.2175.5-178.5-151.978.6-166.90111.9A100 N101 I102 S107 Y108 T134 G137 L139A100-K104 VanDerWaalsContact O-CB 3.24Å; A100-K104 WeakPolarHBondContact O-CB 3.47Å; A100-K104 PolarHBondContact O-N 3.21Å; N101-K104 PolarHBondContact O-N 3.38Å; N101-K104 PolarHBondContact OD1-NZ 2.83Å; I102-K104 VanDerWaalsContact C-N 3.34Å; I102-K104 PolarHBondContact O-N 3.3Å; K104-S107 PolarHBondContact O-N 3.49Å; K104-Y108 VanDerWaalsContact O-CB 3.25Å; K104-Y108 WeakPolarHBondContact O-CB 3.47Å; K104-Y108 PolarHBondContact O-N 3.22Å; K104-T134 HydrophobicContact CB-CG2 4.27Å; K104-G137 WeakPolarHBondContact CD-O 3.32Å; K104-G137 WeakPolarHBondContact CG-O 3.17Å; K104-L139 HydrophobicContact CD-CB 3.86Å; K104-L139 HydrophobicContact CG-CB 4.47Å
105N93.9Very high92.7Very high89 Ų8955.3 Ų55.348%0.47626%0.264SS..Hα-helixtrans-66.1-43.1-177.2-72-16.5000111.8N101 I102 V103 K109N101-N105 VanDerWaalsContact O-CB 3.3Å; N101-N105 WeakPolarHBondContact O-CB 3.29Å; N101-N105 PolarHBondContact O-N 3.05Å; N101-N105 PolarHBondContact O-ND2 2.68Å; N101-N105 PolarHBondContact O-OD1 3.38Å; I102-N105 PolarHBondContact O-N 3.2Å; I102-N105 VanDerWaalsContact O-N 3.14Å; V103-N105 PolarHBondContact O-N 3.46Å; N105-K109 VanDerWaalsContact O-CB 3.24Å; N105-K109 WeakPolarHBondContact O-CB 3.35Å; N105-K109 PolarHBondContact O-N 2.81Å
106I93.3Very high92.2Very high7 Ų753.9 Ų53.94%0.03626%0.259CS..Hα-helixtrans-64-50.4175.6-62.7165.9000109.6I75 M78 A79 I102 V103 Y108 K109 Y110I75-I106 HydrophobicContact CB-CG2 4.34Å; I75-I106 HydrophobicContact CG1-CG2 4.09Å; I75-I106 HydrophobicContact CG2-CB 4.2Å; I75-I106 HydrophobicContact CG2-CG2 3.82Å; M78-I106 HydrophobicContact CB-CD1 3.95Å; M78-I106 HydrophobicContact CE-CG2 4.16Å; M78-I106 HydrophobicContact SD-CG2 4.36Å; A79-I106 HydrophobicContact CB-CD1 4Å; I102-I106 HydrophobicContact CG2-CD1 3.71Å; I102-I106 HydrophobicContact CG2-CG1 4.47Å; I102-I106 WeakPolarHBondContact O-CG1 3.27Å; I102-I106 PolarHBondContact O-N 2.98Å; V103-I106 PolarHBondContact O-N 2.84Å; I106-Y108 VanDerWaalsContact C-N 3.3Å; I106-Y108 PolarHBondContact O-N 3.45Å; I106-K109 WeakPolarHBondContact O-CB 3.48Å; I106-K109 PolarHBondContact O-N 3.24Å; I106-K109 VanDerWaalsContact O-N 3.16Å; I106-Y110 HydrophobicContact CG2-CD2 3.92Å; I106-Y110 HydrophobicContact CG2-CE2 4.14Å; I106-Y110 VanDerWaalsContact O-CD2 3.27Å; I106-Y110 WeakPolarHBondContact O-CD2 3.38Å; I106-Y110 PolarHBondContact O-N 2.85Å; I106-Y110 VanDerWaalsContact O-N 3.11Å
107S90.8Very high91.7Very high21 Ų2158.7 Ų58.715%0.14728%0.281CS..Hα-helixtrans-58.8-42-179.9-54.90000111.8V103 K104 Y110 R111V103-S107 VanDerWaalsContact O-CB 3.28Å; V103-S107 WeakPolarHBondContact O-CB 3.35Å; V103-S107 PolarHBondContact O-N 3.06Å; V103-S107 PolarHBondContact O-OG 3.06Å; K104-S107 PolarHBondContact O-N 3.49Å; S107-Y110 CarbonylContact O-C 3.53Å; S107-R111 WeakPolarHBondContact O-CA 3.35Å; S107-R111 PolarHBondContact O-N 3.4Å
108Y91Very high91.5Very high123 Ų12355.6 Ų55.648%0.48227%0.265SS..Hα-helixtrans-70.1-37.8177.8-172.3-104000112.7K104 I106 Y110 R111K104-Y108 VanDerWaalsContact O-CB 3.25Å; K104-Y108 WeakPolarHBondContact O-CB 3.47Å; K104-Y108 PolarHBondContact O-N 3.22Å; I106-Y108 VanDerWaalsContact C-N 3.3Å; I106-Y108 PolarHBondContact O-N 3.45Å; Y108-Y110 VanDerWaalsContact C-N 3.28Å; Y108-Y110 PolarHBondContact O-N 2.93Å; Y108-R111 WeakPolarHBondContact O-CB 3.39Å; Y108-R111 WeakPolarHBondContact O-CD 3.4Å; Y108-R111 WeakPolarHBondContact O-CG 3.28Å; Y108-R111 PolarHBondContact O-N 2.82Å
109K91.9Very high91.5Very high148 Ų14854.9 Ų54.964%0.64326%0.257SS*.Hα-helixtrans-61.2-38.8177.8-179.3-178.6177-165.70111.9N105 I106N105-K109 VanDerWaalsContact O-CB 3.24Å; N105-K109 WeakPolarHBondContact O-CB 3.35Å; N105-K109 PolarHBondContact O-N 2.81Å; I106-K109 WeakPolarHBondContact O-CB 3.48Å; I106-K109 PolarHBondContact O-N 3.24Å; I106-K109 VanDerWaalsContact O-N 3.16Å
110Y89.9Confident91.6Very high67 Ų6754.8 Ų54.826%0.26326%0.257SS..THydrogen-bonded Turntrans-107.120.4-177.2-60-75.2000113.3M78 I106 S107 Y108 E112 D113 L114M78-Y110 HydrophobicContact CE-CE2 3.92Å; I106-Y110 HydrophobicContact CG2-CD2 3.92Å; I106-Y110 HydrophobicContact CG2-CE2 4.14Å; I106-Y110 VanDerWaalsContact O-CD2 3.27Å; I106-Y110 WeakPolarHBondContact O-CD2 3.38Å; I106-Y110 PolarHBondContact O-N 2.85Å; I106-Y110 VanDerWaalsContact O-N 3.11Å; S107-Y110 CarbonylContact O-C 3.53Å; Y108-Y110 VanDerWaalsContact C-N 3.28Å; Y108-Y110 PolarHBondContact O-N 2.93Å; Y110-E112 PolarHBondContact O-N 3.04Å; Y110-E112 VanDerWaalsContact O-N 3.07Å; Y110-D113 PolarHBondContact O-N 2.88Å; Y110-L114 HydrophobicContact CD2-CD1 4.3Å; Y110-L114 HydrophobicContact CG-CD1 4.01Å; Y110-L114 PolarHBondContact O-N 3.24Å
111R86.6Confident91.6Very high135 Ų13554.9 Ų54.951%0.50926%0.257SS..THydrogen-bonded Turntrans-57.8-24.9-175.764.4179.2-112.71682.8115S107 Y108S107-R111 WeakPolarHBondContact O-CA 3.35Å; S107-R111 PolarHBondContact O-N 3.4Å; Y108-R111 WeakPolarHBondContact O-CB 3.39Å; Y108-R111 WeakPolarHBondContact O-CD 3.4Å; Y108-R111 WeakPolarHBondContact O-CG 3.28Å; Y108-R111 PolarHBondContact O-N 2.82Å
112E87.3Confident91.7Very high112 Ų11252.6 Ų52.652%0.52325%0.245SC..THydrogen-bonded Turntrans-89.9-10178.1-55.8-58.4144.200111.6R13 Y110R13-E112 PolarHBondContact NH1-O 3.39Å; R13-E112 PolarHBondContact NH2-O 3.48Å; Y110-E112 PolarHBondContact O-N 3.04Å; Y110-E112 VanDerWaalsContact O-N 3.07Å
113D87.1Confident91.9Very high105 Ų10553.3 Ų53.356%0.56125%0.246SC*.THydrogen-bonded Turntrans-116.9-32-173.3-63.8-39.9000113.3R13 Y110R13-D113 IonicContact NH1-OD1 2.76Å; Y110-D113 PolarHBondContact O-N 2.88Å
114L85.1Confident92Very high45 Ų4553.8 Ų53.824%0.23625%0.249CC..  trans-114.1134.7-174.8-60.9-178.3000110.8D71 I75 Y110D71-L114 HydrophobicContact CB-CB 4.09Å; D71-L114 HydrophobicContact CB-CD2 3.93Å; D71-L114 HydrophobicContact CB-CG 4.49Å; I75-L114 HydrophobicContact CD1-CB 4.22Å; I75-L114 HydrophobicContact CD1-CD1 3.72Å; I75-L114 HydrophobicContact CG1-CD1 3.61Å; Y110-L114 HydrophobicContact CD2-CD1 4.3Å; Y110-L114 HydrophobicContact CG-CD1 4.01Å; Y110-L114 PolarHBondContact O-N 3.24Å
115L85.8Confident92Very high51 Ų5158.9 Ų58.927%0.26727%0.273SS..  trans-105.182.6177-165.1148.6000109.2E16 S68 D71E16-L115 HydrophobicContact CG-CD1 4.33Å; S68-L115 WeakPolarHBondContact CB-O 3.22Å; S68-L115 PolarHBondContact N-O 2.78Å; D71-L115 PolarHBondContact OD2-N 2.88Å
116A87.4Confident92Very high17 Ų1763.2 Ų63.214%0.1428%0.283CS..EExtended strand (participates in β ladder)trans-136.9140.4179.600000111.6S66 D71 A72 I75 L118S66-A116 WeakPolarHBondContact O-CA 3.39Å; D71-A116 HydrophobicContact CB-CB 4.46Å; A72-A116 HydrophobicContact CB-CB 4.05Å; I75-A116 HydrophobicContact CD1-CB 3.63Å; A116-L118 HydrophobicContact CB-CG 4.45Å
117H87.5Confident92.2Very high102 Ų10267.7 Ų67.747%0.47230%0.304SS..EExtended strand (participates in β ladder)trans-123119.2170-68.578.9000107.4S66S66-H117 WeakPolarHBondContact CB-O 3.32Å; S66-H117 PolarHBondContact N-O 3.28Å; S66-H117 PolarHBondContact O-N 3.43Å
118L92.6Very high92.5Very high4 Ų467.6 Ų67.62%0.02131%0.306CS..EExtended strand (participates in β ladder)trans-120.1141.3-170-61.5-178.6000110.5L65 A72 I75 V103 A116 T134L65-L118 HydrophobicContact CB-CD2 4.41Å; L65-L118 HydrophobicContact CD2-CD2 3.51Å; A72-L118 HydrophobicContact CB-CD2 3.96Å; I75-L118 HydrophobicContact CB-CD1 3.85Å; I75-L118 HydrophobicContact CD1-CD1 4.41Å; I75-L118 HydrophobicContact CG2-CD1 3.32Å; V103-L118 HydrophobicContact CG1-CB 3.74Å; V103-L118 HydrophobicContact CG1-CD1 3.56Å; V103-L118 HydrophobicContact CG1-CG 4.29Å; A116-L118 HydrophobicContact CB-CG 4.45Å; L118-T134 WeakPolarHBondContact O-CB 3.49Å; L118-T134 PolarHBondContact O-N 2.89Å; L118-T134 VanDerWaalsContact O-N 3.15Å; L118-T134 PolarHBondContact O-OG1 3.18Å
119M95.9Very high92.8Very high8 Ų862 Ų624%0.03929%0.285CS..EExtended strand (participates in β ladder)trans-121.7123.5175-178-169.6-57.200108.2I23 A25 C63 A64 V131 Y132 A145I23-M119 HydrophobicContact CD1-CB 4.21Å; I23-M119 HydrophobicContact CD1-CE 4.23Å; I23-M119 HydrophobicContact CG1-CE 4.34Å; A25-M119 HydrophobicContact CB-SD 3.47Å; A25-M119 WeakPolarHBondContact CB-SD 3.11Å; C63-M119 CarbonylContact C-O 3.58Å; C63-M119 VanDerWaalsContact CA-O 3.32Å; C63-M119 WeakPolarHBondContact CA-O 3.15Å; A64-M119 HydrophobicContact CB-CB 4.29Å; A64-M119 PolarHBondContact N-O 3.11Å; A64-M119 PolarHBondContact O-N 2.97Å; A64-M119 VanDerWaalsContact O-N 3.15Å; M119-V131 HydrophobicContact CG-CG1 4.29Å; M119-V131 HydrophobicContact SD-CG1 4.25Å; M119-Y132 WeakPolarHBondContact CA-O 3.39Å; M119-A145 VanDerWaalsContact CE-C 3.46Å; M119-A145 HydrophobicContact CE-CB 3.58Å; M119-A145 WeakPolarHBondContact CE-O 3.41Å; M119-A145 HydrophobicContact CG-CB 4.36Å; M119-A145 HydrophobicContact SD-CB 3.78Å
120V98.1Very high93.1Very high0 Ų055 Ų550%026%0.255CS..EExtended strand (participates in β ladder)trans-102.3127.6-179.81800000108.4L57 I61 Y62 V96 A99 A100 V103 Y132L57-V120 HydrophobicContact CD1-CG1 4.38Å; L57-V120 HydrophobicContact CD1-CG2 4.3Å; I61-V120 HydrophobicContact CG2-CG1 3.81Å; Y62-V120 WeakPolarHBondContact O-CA 3.38Å; V96-V120 HydrophobicContact CG1-CG1 4.24Å; A99-V120 HydrophobicContact CB-CG1 4.27Å; A100-V120 HydrophobicContact CB-CB 4Å; A100-V120 HydrophobicContact CB-CG1 4.08Å; A100-V120 HydrophobicContact CB-CG2 4.35Å; V103-V120 HydrophobicContact CB-CG2 3.94Å; V103-V120 HydrophobicContact CG1-CG2 4.07Å; V103-V120 HydrophobicContact CG2-CG2 3.76Å; V120-Y132 PolarHBondContact N-O 2.98Å; V120-Y132 PolarHBondContact O-N 3.18Å
121A98.4Very high93.5Very high1 Ų151.8 Ų51.81%0.00824%0.242CC..EExtended strand (participates in β ladder)trans-140141.7176.400000109.6A25 V32 V34 Y62 Q130 V131A25-A121 HydrophobicContact CB-CB 3.93Å; V32-A121 HydrophobicContact CG2-CB 4.2Å; V34-A121 HydrophobicContact CG2-CB 3.54Å; Y62-A121 PolarHBondContact N-O 3.35Å; Y62-A121 PolarHBondContact O-N 3.48Å; Y62-A121 VanDerWaalsContact O-O 3.09Å; A121-Q130 VanDerWaalsContact CA-O 3.28Å; A121-Q130 WeakPolarHBondContact CA-O 3.35Å; A121-V131 HydrophobicContact CB-CG2 4.08Å
122G98.4Very high94Very high0 Ų046 Ų460%022%0.221CC..EExtended strand (participates in β ladder)trans-171.2-173.9-177.300000112.5R60 G129 Q130R60-G122 CarbonylContact O-C 3.56Å; R60-G122 WeakPolarHBondContact O-CA 3.08Å; G122-G129 WeakPolarHBondContact O-CA 3.48Å; G122-Q130 PolarHBondContact N-O 3.44Å; G122-Q130 VanDerWaalsContact N-O 3.1Å; G122-Q130 PolarHBondContact O-N 3.02Å
123W98.5Very high94.3Very high41 Ų4141.2 Ų41.216%0.15520%0.202CC..EExtended strand (participates in β ladder)trans-126.4134.2172.9-178.396.2000109.7R60 Q125 G128 I198 A200R60-W123 PolarHBondContact O-N 3.4Å; W123-Q125 HydrophobicContact CH2-CB 4.38Å; W123-Q125 HydrophobicContact CH2-CG 3.78Å; W123-Q125 HydrophobicContact CZ3-CG 3.79Å; W123-G128 WeakPolarHBondContact CA-O 3.44Å; W123-I198 HydrophobicContact CB-CG2 3.81Å; W123-A200 HydrophobicContact CD2-CB 4.3Å; W123-A200 HydrophobicContact CH2-CB 3.78Å; W123-A200 HydrophobicContact CZ2-CB 3.28Å; W123-A200 HydrophobicContact CZ3-CB 4.48Å
124D97.3Very high94.1Very high9 Ų936.7 Ų36.75%0.04818%0.178CC..EExtended strand (participates in β ladder)trans-131.1168167.373.744.5000112.9L95 V96 R126 E127 G128 Q130L95-D124 WeakPolarHBondContact CA-OD2 3.47Å; L95-D124 HydrophobicContact CD2-CB 4.16Å; V96-D124 HydrophobicContact CG2-CB 4.02Å; V96-D124 PolarHBondContact N-OD2 2.89Å; D124-R126 PolarHBondContact O-N 2.71Å; D124-R126 WeakPolarHBondContact OD1-CA 3.42Å; D124-R126 PolarHBondContact OD1-N 2.66Å; D124-E127 PolarHBondContact OD1-N 3.17Å; D124-G128 PolarHBondContact N-O 2.97Å; D124-G128 VanDerWaalsContact O-CA 3.24Å; D124-G128 WeakPolarHBondContact O-CA 3.37Å; D124-G128 PolarHBondContact O-N 3.15Å; D124-Q130 PolarHBondContact OD2-OE1 3.21Å
125Q95Very high93.4Very high151 Ų15140.6 Ų40.671%0.70620%0.197SC*.THydrogen-bonded Turntrans-73.5-13.5-175.3-61.5178.8800113.6W123W123-Q125 HydrophobicContact CH2-CB 4.38Å; W123-Q125 HydrophobicContact CH2-CG 3.78Å; W123-Q125 HydrophobicContact CZ3-CG 3.79Å
126R95.1Very high92.6Very high180 Ų18041.7 Ų41.768%0.67922%0.22SC*.THydrogen-bonded Turntrans-94.9-48.7-174-67.3-169-178.4-175.72.5112.1L95 D124L95-R126 HydrophobicContact CD2-CB 4.33Å; L95-R126 HydrophobicContact CD2-CG 3.82Å; D124-R126 PolarHBondContact O-N 2.71Å; D124-R126 WeakPolarHBondContact OD1-CA 3.42Å; D124-R126 PolarHBondContact OD1-N 2.66Å
127E96.3Very high91.8Very high101 Ų10142.3 Ų42.347%0.47223%0.228SC..THydrogen-bonded Turntrans-117.4-1.5-175-68.9-167.5-171.400113.3D124 Q130 R141D124-E127 PolarHBondContact OD1-N 3.17Å; E127-Q130 HydrophobicContact CB-CG 4.04Å; E127-Q130 PolarHBondContact OE2-NE2 3.17Å; E127-R141 IonicContact OE2-CZ 3Å; E127-R141 IonicContact OE2-NH1 3.75Å; E127-R141 PolarHBondContact OE2-NH1 2.85Å
128G97.4Very high91.6Very high19 Ų1943.3 Ų43.320%0.19624%0.235CC..EExtended strand (participates in β ladder)trans74.7-139.6179.900000111.9W123 D124W123-G128 WeakPolarHBondContact CA-O 3.44Å; D124-G128 PolarHBondContact N-O 2.97Å; D124-G128 VanDerWaalsContact O-CA 3.24Å; D124-G128 WeakPolarHBondContact O-CA 3.37Å; D124-G128 PolarHBondContact O-N 3.15Å
129G97.7Very high91.6Very high5 Ų545.3 Ų45.35%0.05225%0.245CC..EExtended strand (participates in β ladder)trans-70.2133.1176.300000111.4E27 G122E27-G129 WeakPolarHBondContact CG-O 3.48Å; E27-G129 VanDerWaalsContact OE1-O 3.13Å; G122-G129 WeakPolarHBondContact O-CA 3.48Å
130Q98.4Very high91.5Very high1 Ų148.2 Ų48.21%0.00526%0.26CS..EExtended strand (participates in β ladder)trans-142.5142.3179.7-63.5161.3-75.500111.1V96 A121 G122 D124 E127 Y132V96-Q130 HydrophobicContact CB-CB 4.26Å; V96-Q130 VanDerWaalsContact CB-OE1 3.25Å; V96-Q130 HydrophobicContact CG1-CB 4.12Å; V96-Q130 HydrophobicContact CG2-CB 4.49Å; V96-Q130 VanDerWaalsContact CG2-OE1 3.25Å; A121-Q130 VanDerWaalsContact CA-O 3.28Å; A121-Q130 WeakPolarHBondContact CA-O 3.35Å; G122-Q130 PolarHBondContact N-O 3.44Å; G122-Q130 VanDerWaalsContact N-O 3.1Å; G122-Q130 PolarHBondContact O-N 3.02Å; D124-Q130 PolarHBondContact OD2-OE1 3.21Å; E127-Q130 HydrophobicContact CB-CG 4.04Å; E127-Q130 PolarHBondContact OE2-NE2 3.17Å; Q130-Y132 HydrophobicContact CB-CD2 4.28Å; Q130-Y132 HydrophobicContact CB-CE2 3.73Å; Q130-Y132 HydrophobicContact CG-CE2 4.4Å; Q130-Y132 PolarHBondContact NE2-OH 3.36Å; Q130-Y132 VanDerWaalsContact NE2-OH 3.11Å
131V98.1Very high91.4Very high0 Ų053 Ų530%028%0.278CS..EExtended strand (participates in β ladder)trans-122128.7173.4178.30000110.3A25 E27 V32 M119 A121 R141 Q142 A145A25-V131 HydrophobicContact CB-CB 4.42Å; A25-V131 HydrophobicContact CB-CG1 3.71Å; A25-V131 HydrophobicContact CB-CG2 3.79Å; E27-V131 HydrophobicContact CB-CG2 4.43Å; V32-V131 HydrophobicContact CB-CG2 4.45Å; V32-V131 HydrophobicContact CG1-CG2 3.94Å; M119-V131 HydrophobicContact CG-CG1 4.29Å; M119-V131 HydrophobicContact SD-CG1 4.25Å; A121-V131 HydrophobicContact CB-CG2 4.08Å; V131-R141 WeakPolarHBondContact O-CA 3.46Å; V131-Q142 WeakPolarHBondContact CB-O 3.45Å; V131-Q142 PolarHBondContact O-N 3.16Å; V131-Q142 VanDerWaalsContact O-N 3.11Å; V131-A145 HydrophobicContact CG1-CB 3.78Å
132Y97.7Very high91.3Very high13 Ų1357 Ų575%0.05130%0.296CS..EExtended strand (participates in β ladder)trans-126.7121.6179.5-70.5-82.3000111.8V96 L97 A100 M119 V120 Q130 L139 I140 R141V96-Y132 HydrophobicContact CB-CE2 4.45Å; V96-Y132 HydrophobicContact CG1-CD2 4Å; V96-Y132 HydrophobicContact CG1-CE2 4.1Å; L97-Y132 HydrophobicContact CD1-CE1 3.93Å; A100-Y132 HydrophobicContact CB-CD1 4.48Å; A100-Y132 HydrophobicContact CB-CD2 3.91Å; A100-Y132 HydrophobicContact CB-CG 3.82Å; M119-Y132 WeakPolarHBondContact CA-O 3.39Å; V120-Y132 PolarHBondContact N-O 2.98Å; V120-Y132 PolarHBondContact O-N 3.18Å; Q130-Y132 HydrophobicContact CB-CD2 4.28Å; Q130-Y132 HydrophobicContact CB-CE2 3.73Å; Q130-Y132 HydrophobicContact CG-CE2 4.4Å; Q130-Y132 PolarHBondContact NE2-OH 3.36Å; Q130-Y132 VanDerWaalsContact NE2-OH 3.11Å; Y132-L139 HydrophobicContact CD1-CD1 4Å; Y132-L139 HydrophobicContact CD1-CD2 4.22Å; Y132-L139 HydrophobicContact CD1-CG 3.88Å; Y132-L139 HydrophobicContact CG-CD1 4.22Å; Y132-I140 WeakPolarHBondContact CA-O 3.39Å; Y132-R141 HydrophobicContact CD1-CB 4.01Å; Y132-R141 HydrophobicContact CE1-CB 3.64Å; Y132-R141 HydrophobicContact CE1-CG 4.17Å
133G92.4Very high91.2Very high12 Ų1260 Ų6012%0.12432%0.316CS..EExtended strand (participates in β ladder)trans-87.3134.9167.800000111.2I140G133-I140 PolarHBondContact N-O 3.07Å; G133-I140 PolarHBondContact O-N 3.45Å
134T83.3Confident91.1Very high11 Ų1159.6 Ų59.67%0.06732%0.315CS..EExtended strand (participates in β ladder)trans-104.3112.3169.369.60000109.5V103 K104 L118 M138 L139V103-T134 HydrophobicContact CG1-CG2 4.21Å; K104-T134 HydrophobicContact CB-CG2 4.27Å; L118-T134 WeakPolarHBondContact O-CB 3.49Å; L118-T134 PolarHBondContact O-N 2.89Å; L118-T134 VanDerWaalsContact O-N 3.15Å; L118-T134 PolarHBondContact O-OG1 3.18Å; T134-M138 WeakPolarHBondContact CA-O 3.38Å; T134-L139 HydrophobicContact CG2-CD1 3.93Å
135M71.3Confident91.1Very high127 Ų12759.4 Ų59.463%0.62632%0.315SS*.EExtended strand (participates in β ladder)trans-130.8116-179.1-69.5-169.973.700109.9G137 M138M135-G137 PolarHBondContact O-N 3.25Å; M135-G137 VanDerWaalsContact O-N 3.07Å; M135-M138 PolarHBondContact N-O 3.44Å; M135-M138 VanDerWaalsContact N-O 3.16Å; M135-M138 VanDerWaalsContact O-CB 3.31Å; M135-M138 WeakPolarHBondContact O-CB 3.47Å; M135-M138 PolarHBondContact O-N 2.87Å
136G67.5Low91.2Very high74 Ų7453.3 Ų53.376%0.76329%0.287SS*.THydrogen-bonded Turntrans57.328173.100000115.1M138G136-M138 VanDerWaalsContact C-N 3.35Å
137G70.8Confident91.1Very high30 Ų3045.4 Ų45.431%0.30926%0.262SS..THydrogen-bonded Turntrans86.6-1.7-175.100000115.2K104 M135K104-G137 WeakPolarHBondContact CD-O 3.32Å; K104-G137 WeakPolarHBondContact CG-O 3.17Å; M135-G137 PolarHBondContact O-N 3.25Å; M135-G137 VanDerWaalsContact O-N 3.07Å
138M84.5Confident90.9Very high123 Ų12341.6 Ų41.661%0.60625%0.249SC*.EExtended strand (participates in β ladder)trans-85.4152169.2-59.5179.16600110.6T134 M135 G136 I140T134-M138 WeakPolarHBondContact CA-O 3.38Å; M135-M138 PolarHBondContact N-O 3.44Å; M135-M138 VanDerWaalsContact N-O 3.16Å; M135-M138 VanDerWaalsContact O-CB 3.31Å; M135-M138 WeakPolarHBondContact O-CB 3.47Å; M135-M138 PolarHBondContact O-N 2.87Å; G136-M138 VanDerWaalsContact C-N 3.35Å; M138-I140 HydrophobicContact CE-CD1 4.4Å
139L92.4Very high90.6Very high45 Ų4543 Ų4324%0.23626%0.256CS..EExtended strand (participates in β ladder)trans-123.4121.5173.6-174.969.6000108.4L97 A100 K104 Y132 T134L97-L139 HydrophobicContact CD1-CD2 3.87Å; A100-L139 HydrophobicContact CB-CD1 3.73Å; A100-L139 HydrophobicContact CB-CD2 4.15Å; K104-L139 HydrophobicContact CD-CB 3.86Å; K104-L139 HydrophobicContact CG-CB 4.47Å; Y132-L139 HydrophobicContact CD1-CD1 4Å; Y132-L139 HydrophobicContact CD1-CD2 4.22Å; Y132-L139 HydrophobicContact CD1-CG 3.88Å; Y132-L139 HydrophobicContact CG-CD1 4.22Å; T134-L139 HydrophobicContact CG2-CD1 3.93Å
140I93.9Very high90.4Very high69 Ų6942.8 Ų42.835%0.35425%0.253SS..EExtended strand (participates in β ladder)trans-129.1125.1-174.9-55.1176.5000108.5Y132 G133 M138 Q142Y132-I140 WeakPolarHBondContact CA-O 3.39Å; G133-I140 PolarHBondContact N-O 3.07Å; G133-I140 PolarHBondContact O-N 3.45Å; M138-I140 HydrophobicContact CE-CD1 4.4Å; I140-Q142 HydrophobicContact CG2-CG 3.86Å
141R95.9Very high90.2Very high102 Ų10243.1 Ų43.139%0.38526%0.256SS..EExtended strand (participates in β ladder)trans-81.5132.7169.5-173175.3174.7178.9-2.3109.2E27 E127 V131 Y132E27-R141 IonicContact OE1-NH2 3.45Å; E27-R141 PolarHBondContact OE1-NH2 2.86Å; E27-R141 IonicContact OE2-NE 3.9Å; E27-R141 IonicContact OE2-NH2 3.78Å; E27-R141 PolarHBondContact OE2-NH2 2.6Å; E127-R141 IonicContact OE2-CZ 3Å; E127-R141 IonicContact OE2-NH1 3.75Å; E127-R141 PolarHBondContact OE2-NH1 2.85Å; V131-R141 WeakPolarHBondContact O-CA 3.46Å; Y132-R141 HydrophobicContact CD1-CB 4.01Å; Y132-R141 HydrophobicContact CE1-CB 3.64Å; Y132-R141 HydrophobicContact CE1-CG 4.17Å
142Q95.6Very high89.9Confident83 Ų8347.9 Ų47.939%0.38829%0.285SS..  trans-139.4151.2177.6-59.7-172.4-65.700110.2V131 I140 F144V131-Q142 WeakPolarHBondContact CB-O 3.45Å; V131-Q142 PolarHBondContact O-N 3.16Å; V131-Q142 VanDerWaalsContact O-N 3.11Å; I140-Q142 HydrophobicContact CG2-CG 3.86Å; Q142-F144 WeakPolarHBondContact CB-O 3.28Å; Q142-F144 PolarHBondContact O-N 3.46Å
143P96.2Very high89.8Confident64 Ų6453.5 Ų53.542%0.41631%0.307SS..SBendtrans-67.4-26.7175.127.2-34.7000112.6E27 Y162E27-P143 WeakPolarHBondContact CB-O 3.3Å; E27-P143 PolarHBondContact N-O 3.32Å; P143-Y162 WeakPolarHBondContact CB-OH 3.48Å
144F96.9Very high90Very high33 Ų3353 Ų5315%0.14530%0.301CS..EExtended strand (participates in β ladder)trans-147154.3166.168.7-88.5000108.5A25 V26 Q142 V158 Y162A25-F144 CarbonylContact O-C 3.53Å; A25-F144 WeakPolarHBondContact O-CA 3.21Å; A25-F144 WeakPolarHBondContact O-CB 3.39Å; V26-F144 HydrophobicContact CB-CB 4.13Å; V26-F144 HydrophobicContact CG2-CB 4.13Å; Q142-F144 WeakPolarHBondContact CB-O 3.28Å; Q142-F144 PolarHBondContact O-N 3.46Å; F144-V158 HydrophobicContact CE2-CB 4.01Å; F144-V158 HydrophobicContact CE2-CG2 3.78Å; F144-V158 HydrophobicContact CZ-CG2 4.38Å; F144-Y162 AromaticContact CD1-CD1 3.89Å; F144-Y162 HydrophobicContact CD1-CD1 3.89Å; F144-Y162 AromaticContact CD1-CD2 3.58Å; F144-Y162 HydrophobicContact CD1-CD2 3.58Å; F144-Y162 HydrophobicContact CD1-CE1 4.12Å; F144-Y162 AromaticContact CD1-CE2 3.84Å; F144-Y162 HydrophobicContact CD1-CE2 3.84Å; F144-Y162 AromaticContact CD1-CG 3.61Å; F144-Y162 HydrophobicContact CD1-CG 3.61Å; F144-Y162 AromaticContact CE1-CD1 3.66Å; F144-Y162 HydrophobicContact CE1-CD1 3.66Å; F144-Y162 HydrophobicContact CE1-CD2 4.08Å; F144-Y162 HydrophobicContact CE1-CE1 4.19Å; F144-Y162 AromaticContact CE1-CG 3.6Å; F144-Y162 HydrophobicContact CE1-CG 3.6Å; F144-Y162 HydrophobicContact CG-CD2 4.32Å
145A96.5Very high90.6Very high4 Ų458.2 Ų58.23%0.03332%0.321CS..EExtended strand (participates in β ladder)trans-139145.7173.800000109.5M24 A25 M119 V131M24-A145 CarbonylContact C-O 3.58Å; M24-A145 VanDerWaalsContact CA-O 3.29Å; M24-A145 WeakPolarHBondContact CA-O 3.43Å; A25-A145 PolarHBondContact N-O 3.23Å; A25-A145 PolarHBondContact O-N 3.21Å; M119-A145 VanDerWaalsContact CE-C 3.46Å; M119-A145 HydrophobicContact CE-CB 3.58Å; M119-A145 WeakPolarHBondContact CE-O 3.41Å; M119-A145 HydrophobicContact CG-CB 4.36Å; M119-A145 HydrophobicContact SD-CB 3.78Å; V131-A145 HydrophobicContact CG1-CB 3.78Å
146I96.4Very high91.9Very high24 Ų2455.1 Ų55.112%0.12332%0.321CS..EExtended strand (participates in β ladder)trans-124.3150.9173.758.3172.1000109.3I23 M24 I154 Y155 V158I23-I146 CarbonylContact O-C 3.12Å; I23-I146 WeakPolarHBondContact O-CA 3.41Å; M24-I146 HydrophobicContact CB-CG2 4.17Å; M24-I146 HydrophobicContact CG-CG2 3.88Å; M24-I146 HydrophobicContact SD-CG2 4.12Å; I146-I154 HydrophobicContact CD1-CD1 4.44Å; I146-I154 HydrophobicContact CD1-CG1 4.14Å; I146-I154 HydrophobicContact CG2-CD1 4.23Å; I146-Y155 HydrophobicContact CD1-CD1 3.86Å; I146-Y155 HydrophobicContact CD1-CD2 4.32Å; I146-Y155 HydrophobicContact CD1-CE1 3.8Å; I146-Y155 HydrophobicContact CD1-CE2 4.26Å; I146-Y155 HydrophobicContact CD1-CG 4.12Å; I146-Y155 HydrophobicContact CG1-CE1 4.25Å; I146-V158 HydrophobicContact CD1-CG2 4.03Å; I146-V158 HydrophobicContact CG2-CG1 4.2Å
147G93.8Very high93.3Very high14 Ų1454.6 Ų54.614%0.14430%0.297CS..EExtended strand (participates in β ladder)trans-157.4171.1-178.300000113.8I23I23-G147 WeakPolarHBondContact CG1-O 3.4Å; I23-G147 PolarHBondContact N-O 2.88Å; I23-G147 PolarHBondContact O-N 3.03Å
148G91.9Very high94.5Very high20 Ų2053.2 Ų53.221%0.20628%0.282CS..SBendtrans82.9177.6-175.400000113.5T21 S66 G150 S151T21-G148 CarbonylContact O-C 3.28Å; T21-G148 WeakPolarHBondContact O-CA 3.42Å; S66-G148 VanDerWaalsContact OG-CA 3.24Å; S66-G148 WeakPolarHBondContact OG-CA 3.49Å; G148-G150 VanDerWaalsContact C-N 3.3Å; G148-G150 PolarHBondContact O-N 3.29Å; G148-S151 WeakPolarHBondContact O-CB 3.35Å; G148-S151 PolarHBondContact O-N 3.42Å; G148-S151 PolarHBondContact O-OG 3.15Å
149S92.1Very high95.1Very high49 Ų4952.9 Ų52.934%0.34328%0.283SS..G310 helixtrans-57.8-40-177.851.40000113.1G20 T21 S151 D186G20-S149 VanDerWaalsContact CA-OG 3.31Å; G20-S149 WeakPolarHBondContact CA-OG 3.17Å; T21-S149 PolarHBondContact N-OG 3.44Å; T21-S149 PolarHBondContact O-N 2.91Å; T21-S149 PolarHBondContact O-OG 3.42Å; S149-S151 VanDerWaalsContact C-N 3.28Å; S149-S151 PolarHBondContact O-N 3.4Å; S149-D186 PolarHBondContact OG-OD2 3.04Å
150G93.3Very high95.3Very high0 Ų054.7 Ų54.70%030%0.304CS..G310 helixtrans-73.8-19.1-175.300000114.1T21 T22 G148 T152 Y153 D186T21-G150 PolarHBondContact O-N 3.17Å; T22-G150 WeakPolarHBondContact OG1-CA 3.4Å; G148-G150 VanDerWaalsContact C-N 3.3Å; G148-G150 PolarHBondContact O-N 3.29Å; G150-T152 PolarHBondContact O-N 3.08Å; G150-T152 VanDerWaalsContact O-N 3.11Å; G150-Y153 PolarHBondContact O-N 2.87Å; G150-Y153 VanDerWaalsContact O-N 3.15Å; G150-D186 WeakPolarHBondContact CA-OD2 3.43Å; G150-D186 PolarHBondContact N-OD2 3.23Å; G150-D186 VanDerWaalsContact N-OD2 3.14Å
151S93.1Very high95.4Very high8 Ų852.6 Ų52.66%0.05630%0.297CS..G310 helixtrans-56.2-29.7176.367.50000113.2G148 S149 Y153 I154 Y155G148-S151 WeakPolarHBondContact O-CB 3.35Å; G148-S151 PolarHBondContact O-N 3.42Å; G148-S151 PolarHBondContact O-OG 3.15Å; S149-S151 VanDerWaalsContact C-N 3.28Å; S149-S151 PolarHBondContact O-N 3.4Å; S151-Y153 PolarHBondContact O-N 3.01Å; S151-I154 VanDerWaalsContact O-CG1 3.28Å; S151-I154 WeakPolarHBondContact O-CG1 3.46Å; S151-I154 PolarHBondContact O-N 3.25Å; S151-Y155 WeakPolarHBondContact O-CD2 3.24Å
152T93.2Very high95.5Very high100 Ų10050.2 Ų50.261%0.61329%0.289SS*.G310 helixtrans-62.8-28.7-177.8-58.60000112.5G150G150-T152 PolarHBondContact O-N 3.08Å; G150-T152 VanDerWaalsContact O-N 3.11Å
153Y95.4Very high95.5Very high131 Ų13152.9 Ų52.951%0.51430%0.299SS..G310 helixtrans-82.8-13.6-178.1-60.4-76.5000113.8G150 S151 R185 D186G150-Y153 PolarHBondContact O-N 2.87Å; G150-Y153 VanDerWaalsContact O-N 3.15Å; S151-Y153 PolarHBondContact O-N 3.01Å; Y153-R185 HydrophobicContact CD1-CB 3.68Å; Y153-R185 HydrophobicContact CD1-CG 4.44Å; Y153-R185 HydrophobicContact CD2-CB 4.12Å; Y153-R185 HydrophobicContact CE1-CB 4.12Å; Y153-R185 HydrophobicContact CG-CB 3.67Å; Y153-D186 HydrophobicContact CD2-CB 3.9Å; Y153-D186 HydrophobicContact CE2-CB 3.65Å
154I96.6Very high95.5Very high1 Ų155.2 Ų55.21%0.00531%0.314CS..THydrogen-bonded Turntrans-118.5-0-167.257.8165.7000114.6T22 I146 S151 G156 Y157 V158 A178 L181 A182T22-I154 HydrophobicContact CG2-CD1 4.27Å; I146-I154 HydrophobicContact CD1-CD1 4.44Å; I146-I154 HydrophobicContact CD1-CG1 4.14Å; I146-I154 HydrophobicContact CG2-CD1 4.23Å; S151-I154 VanDerWaalsContact O-CG1 3.28Å; S151-I154 WeakPolarHBondContact O-CG1 3.46Å; S151-I154 PolarHBondContact O-N 3.25Å; I154-G156 VanDerWaalsContact C-N 3.32Å; I154-G156 PolarHBondContact O-N 2.79Å; I154-Y157 PolarHBondContact O-N 2.89Å; I154-V158 HydrophobicContact CD1-CG1 4.39Å; I154-V158 WeakPolarHBondContact O-CG2 3.47Å; I154-V158 PolarHBondContact O-N 2.71Å; I154-A178 HydrophobicContact CD1-CB 4.15Å; I154-A178 WeakPolarHBondContact CG2-O 3.38Å; I154-L181 HydrophobicContact CG2-CB 3.95Å; I154-A182 HydrophobicContact CD1-CB 4.34Å; I154-A182 HydrophobicContact CG2-CB 3.8Å
155Y96.1Very high95.3Very high122 Ų12257 Ų5748%0.47834%0.342SS..Hα-helixtrans-48.8-51175.4-84-74.9000112.8I146 S151 Y157 V158 D159I146-Y155 HydrophobicContact CD1-CD1 3.86Å; I146-Y155 HydrophobicContact CD1-CD2 4.32Å; I146-Y155 HydrophobicContact CD1-CE1 3.8Å; I146-Y155 HydrophobicContact CD1-CE2 4.26Å; I146-Y155 HydrophobicContact CD1-CG 4.12Å; I146-Y155 HydrophobicContact CG1-CE1 4.25Å; S151-Y155 WeakPolarHBondContact O-CD2 3.24Å; Y155-Y157 VanDerWaalsContact C-N 3.29Å; Y155-Y157 PolarHBondContact O-N 2.66Å; Y155-V158 VanDerWaalsContact O-CG2 3.29Å; Y155-V158 WeakPolarHBondContact O-CG2 3.31Å; Y155-V158 PolarHBondContact O-N 2.82Å; Y155-D159 WeakPolarHBondContact O-CB 3.42Å; Y155-D159 PolarHBondContact O-N 3.5Å; Y155-D159 VanDerWaalsContact O-N 3.08Å
156G97.1Very high95.4Very high61 Ų6157.8 Ų57.863%0.62935%0.345SS*.Hα-helixtrans-64.7-31.4179.900000113.8I154 A160I154-G156 VanDerWaalsContact C-N 3.32Å; I154-G156 PolarHBondContact O-N 2.79Å; G156-A160 WeakPolarHBondContact O-CB 3.4Å; G156-A160 PolarHBondContact O-N 2.87Å
157Y96.8Very high95.4Very high64 Ų6459.9 Ų59.925%0.25136%0.359SS..Hα-helixtrans-72-50.1175.8173.2-103.4000111.1I154 Y155 D159 A160 A161 F174 D177 A178 L181I154-Y157 PolarHBondContact O-N 2.89Å; Y155-Y157 VanDerWaalsContact C-N 3.29Å; Y155-Y157 PolarHBondContact O-N 2.66Å; Y157-D159 VanDerWaalsContact C-N 3.32Å; Y157-D159 PolarHBondContact O-N 3.41Å; Y157-A160 PolarHBondContact O-N 2.81Å; Y157-A161 HydrophobicContact CD2-CB 4.26Å; Y157-A161 HydrophobicContact CE1-CB 4.16Å; Y157-A161 HydrophobicContact CE2-CB 3.83Å; Y157-A161 VanDerWaalsContact O-CB 3.23Å; Y157-A161 WeakPolarHBondContact O-CB 3.47Å; Y157-A161 PolarHBondContact O-N 2.83Å; Y157-F174 HydrophobicContact CD1-CE2 4.44Å; Y157-F174 HydrophobicContact CE1-CD2 4.03Å; Y157-F174 AromaticContact CE1-CE2 3.96Å; Y157-F174 HydrophobicContact CE1-CE2 3.96Å; Y157-D177 HydrophobicContact CE1-CB 4.15Å; Y157-D177 WeakPolarHBondContact OH-CB 3.3Å; Y157-D177 PolarHBondContact OH-OD2 3.47Å; Y157-A178 HydrophobicContact CD1-CB 4.03Å; Y157-A178 HydrophobicContact CE1-CB 3.92Å; Y157-L181 HydrophobicContact CD1-CD1 3.8Å; Y157-L181 HydrophobicContact CD2-CD1 3.58Å; Y157-L181 HydrophobicContact CE1-CD1 4.07Å; Y157-L181 HydrophobicContact CE2-CD1 3.87Å; Y157-L181 HydrophobicContact CG-CD1 3.55Å
158V97.1Very high95.6Very high1 Ų161 Ų611%0.00636%0.364CS..Hα-helixtrans-64.3-38.3-176.1-61.90000111.8M24 F144 I146 I154 Y155 A160 Y162 F174 A178M24-V158 HydrophobicContact CE-CG1 4.37Å; F144-V158 HydrophobicContact CE2-CB 4.01Å; F144-V158 HydrophobicContact CE2-CG2 3.78Å; F144-V158 HydrophobicContact CZ-CG2 4.38Å; I146-V158 HydrophobicContact CD1-CG2 4.03Å; I146-V158 HydrophobicContact CG2-CG1 4.2Å; I154-V158 HydrophobicContact CD1-CG1 4.39Å; I154-V158 WeakPolarHBondContact O-CG2 3.47Å; I154-V158 PolarHBondContact O-N 2.71Å; Y155-V158 VanDerWaalsContact O-CG2 3.29Å; Y155-V158 WeakPolarHBondContact O-CG2 3.31Å; Y155-V158 PolarHBondContact O-N 2.82Å; V158-A160 VanDerWaalsContact C-N 3.33Å; V158-A160 PolarHBondContact O-N 3.15Å; V158-Y162 WeakPolarHBondContact O-CB 3.4Å; V158-Y162 PolarHBondContact O-N 3.21Å; V158-F174 HydrophobicContact CB-CE2 4.29Å; V158-F174 HydrophobicContact CB-CZ 3.89Å; V158-F174 HydrophobicContact CG1-CE2 4.19Å; V158-F174 HydrophobicContact CG1-CZ 4Å; V158-A178 HydrophobicContact CG1-CB 4.12Å
159D96.3Very high95.8Very high115 Ų11565.4 Ų65.462%0.61538%0.379SS*.Hα-helixtrans-66.1-34.7176.7-75.1-13.4000112.5Y155 Y157Y155-D159 WeakPolarHBondContact O-CB 3.42Å; Y155-D159 PolarHBondContact O-N 3.5Å; Y155-D159 VanDerWaalsContact O-N 3.08Å; Y157-D159 VanDerWaalsContact C-N 3.32Å; Y157-D159 PolarHBondContact O-N 3.41Å
160A97.2Very high96.1Very high83 Ų8366.4 Ų66.469%0.68638%0.379SS*.Hα-helixtrans-83.1-34.1-179.700000113.3G156 Y157 V158G156-A160 WeakPolarHBondContact O-CB 3.4Å; G156-A160 PolarHBondContact O-N 2.87Å; Y157-A160 PolarHBondContact O-N 2.81Å; V158-A160 VanDerWaalsContact C-N 3.33Å; V158-A160 PolarHBondContact O-N 3.15Å
161A96.7Very high96.4Very high25 Ų2566.4 Ų66.421%0.20738%0.379CS..Hα-helixtrans-91.6-28-173.500000113.2Y157 M166 F174Y157-A161 HydrophobicContact CD2-CB 4.26Å; Y157-A161 HydrophobicContact CE1-CB 4.16Å; Y157-A161 HydrophobicContact CE2-CB 3.83Å; Y157-A161 VanDerWaalsContact O-CB 3.23Å; Y157-A161 WeakPolarHBondContact O-CB 3.47Å; Y157-A161 PolarHBondContact O-N 2.83Å; A161-M166 WeakPolarHBondContact O-CE 3.36Å; A161-F174 HydrophobicContact CB-CD2 4.07Å; A161-F174 HydrophobicContact CB-CE2 3.78Å
162Y97.6Very high96.6Very high52 Ų5267.3 Ų67.320%0.20438%0.381CS..  trans-61.3137.3178.9176.6-103.9000111.6V26 P143 F144 V158 P164 M166 F174V26-Y162 HydrophobicContact CG2-CD2 4.47Å; V26-Y162 HydrophobicContact CG2-CE2 4.15Å; P143-Y162 WeakPolarHBondContact CB-OH 3.48Å; F144-Y162 AromaticContact CD1-CD1 3.89Å; F144-Y162 HydrophobicContact CD1-CD1 3.89Å; F144-Y162 AromaticContact CD1-CD2 3.58Å; F144-Y162 HydrophobicContact CD1-CD2 3.58Å; F144-Y162 HydrophobicContact CD1-CE1 4.12Å; F144-Y162 AromaticContact CD1-CE2 3.84Å; F144-Y162 HydrophobicContact CD1-CE2 3.84Å; F144-Y162 AromaticContact CD1-CG 3.61Å; F144-Y162 HydrophobicContact CD1-CG 3.61Å; F144-Y162 AromaticContact CE1-CD1 3.66Å; F144-Y162 HydrophobicContact CE1-CD1 3.66Å; F144-Y162 HydrophobicContact CE1-CD2 4.08Å; F144-Y162 HydrophobicContact CE1-CE1 4.19Å; F144-Y162 AromaticContact CE1-CG 3.6Å; F144-Y162 HydrophobicContact CE1-CG 3.6Å; F144-Y162 HydrophobicContact CG-CD2 4.32Å; V158-Y162 WeakPolarHBondContact O-CB 3.4Å; V158-Y162 PolarHBondContact O-N 3.21Å; Y162-P164 HydrophobicContact CE1-CG 4.29Å; Y162-M166 HydrophobicContact CD2-SD 4.4Å; Y162-F174 AromaticContact CD2-CE1 3.94Å; Y162-F174 HydrophobicContact CD2-CE1 3.94Å; Y162-F174 HydrophobicContact CD2-CZ 4.48Å
163K96.1Very high96.8Very high139 Ų13969.6 Ų69.660%0.60438%0.378SS*.  trans-136.3132.5175.7-62.7175.4-172.6172.70108.8M166K163-M166 HydrophobicContact CB-CE 3.97Å; K163-M166 HydrophobicContact CB-CG 4.23Å; K163-M166 HydrophobicContact CG-CE 4.2Å; K163-M166 VanDerWaalsContact O-CG 3.3Å; K163-M166 WeakPolarHBondContact O-CG 3.5Å
164P95.1Very high97Very high114 Ų11463.6 Ų63.674%0.7436%0.355SS*.THydrogen-bonded Turntrans-58.1139.8171.1-23.633.9000111.1Y162Y162-P164 HydrophobicContact CE1-CG 4.29Å
165G93.8Very high97Very high70 Ų7063.6 Ų63.672%0.72235%0.354SS*.THydrogen-bonded Turntrans74.426.1176.800000114.9
166M97.1Very high97.1Very high21 Ų2158.3 Ų58.310%0.10334%0.335CS..  trans-56.6143.1168.6-82.1170.7167.400111.2F28 A161 Y162 K163 E170 C171 F174F28-M166 WeakPolarHBondContact CB-O 3.47Å; A161-M166 WeakPolarHBondContact O-CE 3.36Å; Y162-M166 HydrophobicContact CD2-SD 4.4Å; K163-M166 HydrophobicContact CB-CE 3.97Å; K163-M166 HydrophobicContact CB-CG 4.23Å; K163-M166 HydrophobicContact CG-CE 4.2Å; K163-M166 VanDerWaalsContact O-CG 3.3Å; K163-M166 WeakPolarHBondContact O-CG 3.5Å; M166-E170 HydrophobicContact CB-CB 4.03Å; M166-E170 HydrophobicContact CG-CB 4.11Å; M166-C171 VanDerWaalsContact CB-SG 3.54Å; M166-F174 HydrophobicContact CE-CB 4.47Å; M166-F174 HydrophobicContact CE-CG 4.34Å; M166-F174 HydrophobicContact SD-CB 4.38Å; M166-F174 HydrophobicContact SD-CD1 4.14Å; M166-F174 HydrophobicContact SD-CG 4.35Å
167T97.9Very high97.2Very high67 Ų6756.7 Ų56.741%0.41131%0.312SS..  trans-71161.6170.958.30000111.4E169 E170 C171T167-E169 PolarHBondContact O-N 3.45Å; T167-E170 PolarHBondContact N-OE2 3.15Å; T167-E170 PolarHBondContact O-N 3.44Å; T167-E170 VanDerWaalsContact O-N 3.08Å; T167-E170 WeakPolarHBondContact OG1-CB 3.23Å; T167-E170 VanDerWaalsContact OG1-CD 3.3Å; T167-E170 WeakPolarHBondContact OG1-CG 3.24Å; T167-E170 PolarHBondContact OG1-N 3.1Å; T167-E170 PolarHBondContact OG1-OE2 3.03Å; T167-C171 PolarHBondContact O-N 3.02Å
168P96.9Very high97.2Very high39 Ų3953.6 Ų53.625%0.25330%0.3SS..Hα-helixtrans-55.3-40178.1-1927000112.6F28 C171 R172F28-P168 HydrophobicContact CD2-CB 4.21Å; F28-P168 HydrophobicContact CD2-CG 3.76Å; F28-P168 HydrophobicContact CE1-CB 4.33Å; F28-P168 HydrophobicContact CE2-CB 3.88Å; F28-P168 HydrophobicContact CE2-CG 3.53Å; F28-P168 HydrophobicContact CZ-CB 3.92Å; F28-P168 HydrophobicContact CZ-CG 4.09Å; P168-C171 PolarHBondContact O-N 3.38Å; P168-R172 WeakPolarHBondContact O-CG 3.24Å; P168-R172 PolarHBondContact O-N 2.91Å
169E97.4Very high97.2Very high111 Ų11153.6 Ų53.652%0.51930%0.3SS..Hα-helixtrans-66.1-41.7177.1-7864.9-157.700112.1T167 R172 R173T167-E169 PolarHBondContact O-N 3.45Å; E169-R172 VanDerWaalsContact CG-NH2 3.3Å; E169-R172 PolarHBondContact O-N 3.02Å; E169-R172 IonicContact OE1-CZ 2.68Å; E169-R172 IonicContact OE1-NH2 2.59Å; E169-R172 PolarHBondContact OE1-NH2 3.36Å; E169-R172 IonicContact OE2-NH2 3.74Å; E169-R173 PolarHBondContact O-N 3.44Å
170E97.9Very high97.3Very high71 Ų7148.2 Ų48.233%0.33227%0.271SS..Hα-helixtrans-65.8-40.6174.5-75170.7138.400111.6M166 T167 R173 F174M166-E170 HydrophobicContact CB-CB 4.03Å; M166-E170 HydrophobicContact CG-CB 4.11Å; T167-E170 PolarHBondContact N-OE2 3.15Å; T167-E170 PolarHBondContact O-N 3.44Å; T167-E170 VanDerWaalsContact O-N 3.08Å; T167-E170 WeakPolarHBondContact OG1-CB 3.23Å; T167-E170 VanDerWaalsContact OG1-CD 3.3Å; T167-E170 WeakPolarHBondContact OG1-CG 3.24Å; T167-E170 PolarHBondContact OG1-N 3.1Å; T167-E170 PolarHBondContact OG1-OE2 3.03Å; E170-R173 PolarHBondContact O-N 2.97Å; E170-F174 WeakPolarHBondContact O-CB 3.14Å; E170-F174 PolarHBondContact O-N 2.85Å
171C98.3Very high97.2Very high0 Ų046.1 Ų46.10%025%0.248CC..Hα-helixtrans-61-46.1173.7-77.70000111.7V26 F28 V33 M166 T167 P168 R173 F174 T175V26-C171 HydrophobicContact CG1-CB 3.66Å; F28-C171 HydrophobicContact CD1-CB 4.32Å; V33-C171 HydrophobicContact CB-CB 4.34Å; V33-C171 HydrophobicContact CG2-CB 3.77Å; M166-C171 VanDerWaalsContact CB-SG 3.54Å; T167-C171 PolarHBondContact O-N 3.02Å; P168-C171 PolarHBondContact O-N 3.38Å; C171-R173 VanDerWaalsContact C-N 3.35Å; C171-R173 PolarHBondContact O-N 2.91Å; C171-F174 PolarHBondContact O-N 2.94Å; C171-T175 WeakPolarHBondContact O-CB 3.22Å; C171-T175 PolarHBondContact O-N 3.32Å; C171-T175 PolarHBondContact O-OG1 3.11Å
172R98.2Very high97.2Very high26 Ų2645 Ų4510%0.09824%0.238CC..Hα-helixtrans-59.4-44.7175.5-75.9-169.7-66.7-102.94.1112.2V33 P168 E169 T176 L195V33-R172 HydrophobicContact CG1-CG 4.05Å; V33-R172 HydrophobicContact CG2-CG 3.86Å; P168-R172 WeakPolarHBondContact O-CG 3.24Å; P168-R172 PolarHBondContact O-N 2.91Å; E169-R172 VanDerWaalsContact CG-NH2 3.3Å; E169-R172 PolarHBondContact O-N 3.02Å; E169-R172 IonicContact OE1-CZ 2.68Å; E169-R172 IonicContact OE1-NH2 2.59Å; E169-R172 PolarHBondContact OE1-NH2 3.36Å; E169-R172 IonicContact OE2-NH2 3.74Å; R172-T176 WeakPolarHBondContact O-CB 3.4Å; R172-T176 PolarHBondContact O-N 3.15Å; R172-T176 PolarHBondContact O-OG1 3.14Å; R172-L195 HydrophobicContact CB-CD1 4.45Å
173R97.8Very high97.1Very high148 Ų14843.6 Ų43.656%0.55823%0.234SC*.Hα-helixtrans-64.1-47.3176.4-176.4172.263.3-133.9-3.9111.2E169 E170 C171 T175 T176 D177E169-R173 PolarHBondContact O-N 3.44Å; E170-R173 PolarHBondContact O-N 2.97Å; C171-R173 VanDerWaalsContact C-N 3.35Å; C171-R173 PolarHBondContact O-N 2.91Å; R173-T175 VanDerWaalsContact C-N 3.35Å; R173-T175 PolarHBondContact O-N 2.61Å; R173-T176 WeakPolarHBondContact O-CB 3.44Å; R173-T176 PolarHBondContact O-N 3.42Å; R173-T176 VanDerWaalsContact O-N 3.15Å; R173-D177 WeakPolarHBondContact CG-OD2 3.48Å; R173-D177 WeakPolarHBondContact O-CB 3.39Å; R173-D177 PolarHBondContact O-N 3.07Å
174F98.3Very high96.9Very high6 Ų640.9 Ų40.93%0.02623%0.226CC..Hα-helixtrans-56.2-46.6177.8174.8-130.8000112.3M24 V26 Y157 V158 A161 Y162 M166 E170 C171 A178M24-F174 HydrophobicContact CE-CD1 3.42Å; M24-F174 VanDerWaalsContact CE-CD1 3.42Å; M24-F174 HydrophobicContact CE-CD2 4.46Å; M24-F174 HydrophobicContact CE-CE1 3.08Å; M24-F174 HydrophobicContact CE-CE2 4.17Å; M24-F174 HydrophobicContact CE-CG 4.12Å; M24-F174 HydrophobicContact CE-CZ 3.5Å; V26-F174 HydrophobicContact CG2-CD1 4.32Å; V26-F174 HydrophobicContact CG2-CE1 4.44Å; Y157-F174 HydrophobicContact CD1-CE2 4.44Å; Y157-F174 HydrophobicContact CE1-CD2 4.03Å; Y157-F174 AromaticContact CE1-CE2 3.96Å; Y157-F174 HydrophobicContact CE1-CE2 3.96Å; V158-F174 HydrophobicContact CB-CE2 4.29Å; V158-F174 HydrophobicContact CB-CZ 3.89Å; V158-F174 HydrophobicContact CG1-CE2 4.19Å; V158-F174 HydrophobicContact CG1-CZ 4Å; A161-F174 HydrophobicContact CB-CD2 4.07Å; A161-F174 HydrophobicContact CB-CE2 3.78Å; Y162-F174 AromaticContact CD2-CE1 3.94Å; Y162-F174 HydrophobicContact CD2-CE1 3.94Å; Y162-F174 HydrophobicContact CD2-CZ 4.48Å; M166-F174 HydrophobicContact CE-CB 4.47Å; M166-F174 HydrophobicContact CE-CG 4.34Å; M166-F174 HydrophobicContact SD-CB 4.38Å; M166-F174 HydrophobicContact SD-CD1 4.14Å; M166-F174 HydrophobicContact SD-CG 4.35Å; E170-F174 WeakPolarHBondContact O-CB 3.14Å; E170-F174 PolarHBondContact O-N 2.85Å; C171-F174 PolarHBondContact O-N 2.94Å; F174-A178 VanDerWaalsContact O-CB 3.3Å; F174-A178 WeakPolarHBondContact O-CB 3.49Å; F174-A178 PolarHBondContact O-N 3.46Å
175T98.4Very high96.8Very high0 Ų040.7 Ų40.70%021%0.211CC..Hα-helixtrans-64.1-43.5175.6-58.70000112.1M24 V33 C171 R173 A178 I179 L195M24-T175 HydrophobicContact CB-CG2 4.23Å; M24-T175 HydrophobicContact CG-CG2 4.27Å; M24-T175 HydrophobicContact SD-CG2 4.25Å; V33-T175 HydrophobicContact CG1-CG2 4.49Å; C171-T175 WeakPolarHBondContact O-CB 3.22Å; C171-T175 PolarHBondContact O-N 3.32Å; C171-T175 PolarHBondContact O-OG1 3.11Å; R173-T175 VanDerWaalsContact C-N 3.35Å; R173-T175 PolarHBondContact O-N 2.61Å; T175-A178 PolarHBondContact O-N 2.94Å; T175-I179 HydrophobicContact CG2-CD1 3.71Å; T175-I179 HydrophobicContact CG2-CG1 4.46Å; T175-I179 WeakPolarHBondContact O-CB 3.37Å; T175-I179 VanDerWaalsContact O-CG1 3.31Å; T175-I179 WeakPolarHBondContact O-CG1 3.45Å; T175-I179 PolarHBondContact O-N 3.14Å; T175-L195 HydrophobicContact CG2-CD2 3.61Å
176T98.1Very high96.8Very high11 Ų1137.8 Ų37.87%0.06718%0.179CC..Hα-helixtrans-60.9-49.2177.7-55.80000111.2R172 R173 A178 I179 T180 I193 I208 P214R172-T176 WeakPolarHBondContact O-CB 3.4Å; R172-T176 PolarHBondContact O-N 3.15Å; R172-T176 PolarHBondContact O-OG1 3.14Å; R173-T176 WeakPolarHBondContact O-CB 3.44Å; R173-T176 PolarHBondContact O-N 3.42Å; R173-T176 VanDerWaalsContact O-N 3.15Å; T176-A178 PolarHBondContact O-N 3.39Å; T176-I179 PolarHBondContact O-N 2.84Å; T176-T180 VanDerWaalsContact O-CB 3.29Å; T176-T180 WeakPolarHBondContact O-CB 3.3Å; T176-T180 PolarHBondContact O-N 3.33Å; T176-T180 PolarHBondContact O-OG1 2.71Å; T176-I193 HydrophobicContact CG2-CD1 4.04Å; T176-I208 HydrophobicContact CG2-CD1 3.45Å; T176-I208 VanDerWaalsContact CG2-CD1 3.45Å; T176-I208 VanDerWaalsContact OG1-CD1 3.22Å; T176-I208 WeakPolarHBondContact OG1-CD1 3.46Å; T176-P214 HydrophobicContact CG2-CG 3.82Å
177D97.5Very high96.4Very high27 Ų2739.7 Ų39.714%0.14420%0.203CC..Hα-helixtrans-62-45.5-179.1-67.5-17.8000110.8Y157 R173 T180 L181 P214 F216Y157-D177 HydrophobicContact CE1-CB 4.15Å; Y157-D177 WeakPolarHBondContact OH-CB 3.3Å; Y157-D177 PolarHBondContact OH-OD2 3.47Å; R173-D177 WeakPolarHBondContact CG-OD2 3.48Å; R173-D177 WeakPolarHBondContact O-CB 3.39Å; R173-D177 PolarHBondContact O-N 3.07Å; D177-T180 PolarHBondContact O-N 3.46Å; D177-L181 WeakPolarHBondContact O-CB 3.41Å; D177-L181 VanDerWaalsContact O-CG 3.3Å; D177-L181 WeakPolarHBondContact O-CG 3.24Å; D177-L181 PolarHBondContact O-N 2.92Å; D177-P214 WeakPolarHBondContact OD1-CG 3.23Å; D177-F216 HydrophobicContact CB-CZ 3.89Å
178A97.9Very high96Very high0 Ų038.5 Ų38.50%020%0.198CC..Hα-helixtrans-61.7-48.9178.600000112M24 I154 Y157 V158 F174 T175 T176 T180 L181 A182M24-A178 HydrophobicContact CE-CB 4.32Å; M24-A178 HydrophobicContact SD-CB 3.53Å; M24-A178 VanDerWaalsContact SD-CB 3.53Å; I154-A178 HydrophobicContact CD1-CB 4.15Å; I154-A178 WeakPolarHBondContact CG2-O 3.38Å; Y157-A178 HydrophobicContact CD1-CB 4.03Å; Y157-A178 HydrophobicContact CE1-CB 3.92Å; V158-A178 HydrophobicContact CG1-CB 4.12Å; F174-A178 VanDerWaalsContact O-CB 3.3Å; F174-A178 WeakPolarHBondContact O-CB 3.49Å; F174-A178 PolarHBondContact O-N 3.46Å; T175-A178 PolarHBondContact O-N 2.94Å; T176-A178 PolarHBondContact O-N 3.39Å; A178-T180 VanDerWaalsContact C-N 3.32Å; A178-T180 PolarHBondContact O-N 2.98Å; A178-L181 PolarHBondContact O-N 3.3Å; A178-A182 PolarHBondContact O-N 2.77Å
179I97.8Very high95.8Very high0 Ų036.7 Ų36.70%019%0.186CC..Hα-helixtrans-65.7-38.7179.9-65.8170.1000110.6T22 M24 G35 D37 T175 T176 A182 M183 I193T22-I179 HydrophobicContact CG2-CB 4.44Å; T22-I179 HydrophobicContact CG2-CG1 4.08Å; T22-I179 HydrophobicContact CG2-CG2 4.41Å; M24-I179 HydrophobicContact CB-CG1 4.47Å; G35-I179 VanDerWaalsContact C-CD1 3.41Å; D37-I179 HydrophobicContact CB-CG2 4.11Å; T175-I179 HydrophobicContact CG2-CD1 3.71Å; T175-I179 HydrophobicContact CG2-CG1 4.46Å; T175-I179 WeakPolarHBondContact O-CB 3.37Å; T175-I179 VanDerWaalsContact O-CG1 3.31Å; T175-I179 WeakPolarHBondContact O-CG1 3.45Å; T175-I179 PolarHBondContact O-N 3.14Å; T176-I179 PolarHBondContact O-N 2.84Å; I179-A182 WeakPolarHBondContact O-CB 3.37Å; I179-A182 PolarHBondContact O-N 3.42Å; I179-M183 HydrophobicContact CG2-CG 4.22Å; I179-M183 HydrophobicContact CG2-SD 3.69Å; I179-M183 WeakPolarHBondContact O-CB 3.25Å; I179-M183 VanDerWaalsContact O-CG 3.23Å; I179-M183 WeakPolarHBondContact O-CG 3.24Å; I179-M183 PolarHBondContact O-N 2.89Å; I179-I193 HydrophobicContact CB-CD1 3.9Å; I179-I193 HydrophobicContact CB-CG1 4.38Å; I179-I193 HydrophobicContact CD1-CG2 4.05Å; I179-I193 HydrophobicContact CG2-CD1 3.76Å; I179-I193 HydrophobicContact CG2-CG1 3.74Å; I179-I193 HydrophobicContact CG2-CG2 4.49Å
180T96.9Very high95.6Very high3 Ų331.6 Ų31.62%0.01816%0.163CC..Hα-helixtrans-64.1-44.4177.6-55.60000111.8T176 D177 A178 A182 M183 N184 I193 L213 P214 F216T176-T180 VanDerWaalsContact O-CB 3.29Å; T176-T180 WeakPolarHBondContact O-CB 3.3Å; T176-T180 PolarHBondContact O-N 3.33Å; T176-T180 PolarHBondContact O-OG1 2.71Å; D177-T180 PolarHBondContact O-N 3.46Å; A178-T180 VanDerWaalsContact C-N 3.32Å; A178-T180 PolarHBondContact O-N 2.98Å; T180-A182 VanDerWaalsContact C-N 3.29Å; T180-A182 PolarHBondContact O-N 3Å; T180-M183 PolarHBondContact O-N 3.37Å; T180-N184 PolarHBondContact O-N 3.03Å; T180-I193 WeakPolarHBondContact OG1-CD1 3.2Å; T180-L213 HydrophobicContact CG2-CB 4.14Å; T180-P214 VanDerWaalsContact CG2-O 3.28Å; T180-P214 WeakPolarHBondContact CG2-O 3.39Å; T180-F216 HydrophobicContact CG2-CD2 4.2Å; T180-F216 HydrophobicContact CG2-CE2 3.82Å
181L96.3Very high95.5Very high39 Ų3929.6 Ų29.620%0.20416%0.162CC..Hα-helixtrans-59.6-39.9174.3-75.2169.8000112.1I154 Y157 D177 A178 N184 F216I154-L181 HydrophobicContact CG2-CB 3.95Å; Y157-L181 HydrophobicContact CD1-CD1 3.8Å; Y157-L181 HydrophobicContact CD2-CD1 3.58Å; Y157-L181 HydrophobicContact CE1-CD1 4.07Å; Y157-L181 HydrophobicContact CE2-CD1 3.87Å; Y157-L181 HydrophobicContact CG-CD1 3.55Å; D177-L181 WeakPolarHBondContact O-CB 3.41Å; D177-L181 VanDerWaalsContact O-CG 3.3Å; D177-L181 WeakPolarHBondContact O-CG 3.24Å; D177-L181 PolarHBondContact O-N 2.92Å; A178-L181 PolarHBondContact O-N 3.3Å; L181-N184 PolarHBondContact O-N 2.82Å; L181-F216 HydrophobicContact CD1-CE1 4.21Å; L181-F216 HydrophobicContact CD1-CZ 4.18Å; L181-F216 HydrophobicContact CD2-CB 4.18Å; L181-F216 HydrophobicContact CD2-CD1 3.76Å; L181-F216 HydrophobicContact CD2-CD2 3.66Å; L181-F216 HydrophobicContact CD2-CE1 4Å; L181-F216 HydrophobicContact CD2-CE2 3.91Å; L181-F216 HydrophobicContact CD2-CG 3.58Å; L181-F216 HydrophobicContact CD2-CZ 4.08Å; L181-F216 HydrophobicContact CG-CD1 4.33Å; L181-F216 HydrophobicContact CG-CD2 4.05Å; L181-F216 HydrophobicContact CG-CE1 4.06Å; L181-F216 HydrophobicContact CG-CE2 3.76Å; L181-F216 HydrophobicContact CG-CG 4.32Å; L181-F216 HydrophobicContact CG-CZ 3.77Å
182A96.1Very high95.4Very high0 Ų030.4 Ų30.40%017%0.167CC..Hα-helixtrans-66.4-44.8175.100000111.7T22 I154 A178 I179 T180 N184 R185 D186T22-A182 HydrophobicContact CG2-CB 3.55Å; T22-A182 WeakPolarHBondContact OG1-CB 3.36Å; I154-A182 HydrophobicContact CD1-CB 4.34Å; I154-A182 HydrophobicContact CG2-CB 3.8Å; A178-A182 PolarHBondContact O-N 2.77Å; I179-A182 WeakPolarHBondContact O-CB 3.37Å; I179-A182 PolarHBondContact O-N 3.42Å; T180-A182 VanDerWaalsContact C-N 3.29Å; T180-A182 PolarHBondContact O-N 3Å; A182-N184 PolarHBondContact O-N 3.49Å; A182-R185 PolarHBondContact O-N 3.15Å; A182-D186 WeakPolarHBondContact O-CB 3.28Å; A182-D186 PolarHBondContact O-N 3.01Å
183M94.6Very high95.4Very high24 Ų2429.1 Ų29.112%0.11816%0.162CC..Hα-helixtrans-59.2-31.8177.8-72.7165.754.500112.8D37 I179 T180 R185 G191 I193 L213D37-M183 HydrophobicContact CB-CG 4.08Å; D37-M183 HydrophobicContact CB-SD 4.03Å; I179-M183 HydrophobicContact CG2-CG 4.22Å; I179-M183 HydrophobicContact CG2-SD 3.69Å; I179-M183 WeakPolarHBondContact O-CB 3.25Å; I179-M183 VanDerWaalsContact O-CG 3.23Å; I179-M183 WeakPolarHBondContact O-CG 3.24Å; I179-M183 PolarHBondContact O-N 2.89Å; T180-M183 PolarHBondContact O-N 3.37Å; M183-R185 VanDerWaalsContact C-N 3.26Å; M183-R185 PolarHBondContact O-N 3.28Å; M183-G191 WeakPolarHBondContact CE-O 3.25Å; M183-I193 HydrophobicContact SD-CD1 4.21Å; M183-I193 HydrophobicContact SD-CG1 3.87Å; M183-L213 HydrophobicContact CE-CD1 3.5Å; M183-L213 VanDerWaalsContact CE-CD1 3.5Å
184N93.2Very high95.4Very high81 Ų8124 Ų2443%0.43314%0.143SC..THydrogen-bonded Turntrans-71.4-18.6177.1-71.4-10.5000113.4T180 L181 A182T180-N184 PolarHBondContact O-N 3.03Å; L181-N184 PolarHBondContact O-N 2.82Å; A182-N184 PolarHBondContact O-N 3.49Å
185R92.5Very high95.4Very high110 Ų11023.9 Ų23.942%0.41514%0.142SC..THydrogen-bonded Turntrans-116.6-37.1-174.7-61.7-63.5167.7177.8-13.6113.9Y153 A182 M183 G187 Y217 D218Y153-R185 HydrophobicContact CD1-CB 3.68Å; Y153-R185 HydrophobicContact CD1-CG 4.44Å; Y153-R185 HydrophobicContact CD2-CB 4.12Å; Y153-R185 HydrophobicContact CE1-CB 4.12Å; Y153-R185 HydrophobicContact CG-CB 3.67Å; A182-R185 PolarHBondContact O-N 3.15Å; M183-R185 VanDerWaalsContact C-N 3.26Å; M183-R185 PolarHBondContact O-N 3.28Å; R185-G187 PolarHBondContact O-N 2.62Å; R185-Y217 PolarHBondContact NH2-OH 3.16Å; R185-D218 IonicContact CZ-OD1 3.65Å; R185-D218 IonicContact CZ-OD2 3.97Å; R185-D218 IonicContact NE-OD2 2.71Å; R185-D218 IonicContact NH2-OD1 2.68Å; R185-D218 PolarHBondContact NH2-OD1 3.01Å; R185-D218 IonicContact NH2-OD2 3.23Å; R185-D218 PolarHBondContact NH2-OD2 3.36Å
186D93.3Very high95.4Very high10 Ų1023.9 Ų23.95%0.05314%0.143CC..  trans-85.1105.7177.3-177.417.4000110.4S149 G150 Y153 A182 S188 S189S149-D186 PolarHBondContact OG-OD2 3.04Å; G150-D186 WeakPolarHBondContact CA-OD2 3.43Å; G150-D186 PolarHBondContact N-OD2 3.23Å; G150-D186 VanDerWaalsContact N-OD2 3.14Å; Y153-D186 HydrophobicContact CD2-CB 3.9Å; Y153-D186 HydrophobicContact CE2-CB 3.65Å; A182-D186 WeakPolarHBondContact O-CB 3.28Å; A182-D186 PolarHBondContact O-N 3.01Å; D186-S188 PolarHBondContact O-N 2.94Å; D186-S188 PolarHBondContact OD1-N 3.03Å; D186-S188 VanDerWaalsContact OD1-N 3.15Å; D186-S189 PolarHBondContact O-N 2.99Å; D186-S189 PolarHBondContact OD2-N 3.5Å; D186-S189 PolarHBondContact OD2-OG 3.34Å
187G89Confident95.5Very high60 Ų6023.7 Ų23.762%0.61914%0.141SC*.THydrogen-bonded Turntrans-59.6-18.7178.600000114.2R39 R185R39-G187 PolarHBondContact NH1-O 3.3Å; R185-G187 PolarHBondContact O-N 2.62Å
188S89.6Confident95.5Very high42 Ų4222.4 Ų22.429%0.29413%0.134SC..THydrogen-bonded Turntrans-91.3-14.9-179-45.50000112.2G20 R39 D186G20-S188 WeakPolarHBondContact CA-O 3.39Å; R39-S188 WeakPolarHBondContact CD-O 3.46Å; D186-S188 PolarHBondContact O-N 2.94Å; D186-S188 PolarHBondContact OD1-N 3.03Å; D186-S188 VanDerWaalsContact OD1-N 3.15Å
189S93Very high95.5Very high1 Ų124 Ų241%0.00715%0.145CC..  trans-96.4154.4173-62.90000111T22 D37 R39 D186T22-S189 PolarHBondContact N-OG 2.94Å; T22-S189 PolarHBondContact OG1-OG 3.28Å; D37-S189 VanDerWaalsContact OD2-CA 3.24Å; D37-S189 WeakPolarHBondContact OD2-CA 3.48Å; R39-S189 PolarHBondContact NH1-O 2.83Å; D186-S189 PolarHBondContact O-N 2.99Å; D186-S189 PolarHBondContact OD2-N 3.5Å; D186-S189 PolarHBondContact OD2-OG 3.34Å
190G93.6Very high95.5Very high4 Ų426 Ų264%0.04116%0.161CC..  trans158.3-16717500000114.8D37 S38 R39D37-G190 PolarHBondContact OD2-N 3.33Å; S38-G190 PolarHBondContact N-O 3Å; S38-G190 VanDerWaalsContact N-O 3.15Å; S38-G190 PolarHBondContact OG-O 2.93Å; R39-G190 WeakPolarHBondContact CB-O 3.22Å; R39-G190 PolarHBondContact N-O 2.98Å
191G94.4Very high95.4Very high29 Ų2933.3 Ų33.330%0.29920%0.2SC..SBendtrans90.2-127.9179.400000111.7S38 M183S38-G191 WeakPolarHBondContact OG-CA 3.49Å; M183-G191 WeakPolarHBondContact CE-O 3.25Å
192V96.9Very high95.4Very high17 Ų1732.6 Ų32.610%0.10320%0.202CC..  trans-105.7165.2177-59.10000109.8S38 Y194 V207 I208 L209S38-V192 WeakPolarHBondContact CB-O 3.2Å; S38-V192 PolarHBondContact N-O 2.66Å; S38-V192 WeakPolarHBondContact OG-CG2 3.38Å; S38-V192 PolarHBondContact OG-N 3.32Å; S38-V192 PolarHBondContact OG-O 3.43Å; V192-Y194 HydrophobicContact CG2-CD2 4.33Å; V192-Y194 HydrophobicContact CG2-CE2 3.81Å; V192-V207 HydrophobicContact CB-CG1 4.01Å; V192-V207 HydrophobicContact CG2-CG1 3.85Å; V192-I208 WeakPolarHBondContact CA-O 3.27Å; V192-I208 WeakPolarHBondContact CB-O 3.49Å; V192-L209 HydrophobicContact CG1-CD2 4.07Å
193I98.2Very high95.5Very high0 Ų034.7 Ų34.70%021%0.214CC..EExtended strand (participates in β ladder)trans-103.5124171.1-60.7175.5000108.9S36 T176 I179 T180 M183 L195 V207 I208 L213S36-I193 WeakPolarHBondContact O-CA 3.31Å; T176-I193 HydrophobicContact CG2-CD1 4.04Å; I179-I193 HydrophobicContact CB-CD1 3.9Å; I179-I193 HydrophobicContact CB-CG1 4.38Å; I179-I193 HydrophobicContact CD1-CG2 4.05Å; I179-I193 HydrophobicContact CG2-CD1 3.76Å; I179-I193 HydrophobicContact CG2-CG1 3.74Å; I179-I193 HydrophobicContact CG2-CG2 4.49Å; T180-I193 WeakPolarHBondContact OG1-CD1 3.2Å; M183-I193 HydrophobicContact SD-CD1 4.21Å; M183-I193 HydrophobicContact SD-CG1 3.87Å; I193-L195 HydrophobicContact CG2-CD2 3.99Å; I193-L195 HydrophobicContact CG2-CG 3.99Å; I193-V207 CarbonylContact O-C 3.6Å; I193-V207 WeakPolarHBondContact O-CA 3.39Å; I193-I208 HydrophobicContact CB-CB 4.26Å; I193-I208 PolarHBondContact N-O 3.18Å; I193-I208 PolarHBondContact O-N 2.81Å; I193-L213 HydrophobicContact CD1-CD2 3.4Å; I193-L213 VanDerWaalsContact CD1-CD2 3.4Å; I193-L213 HydrophobicContact CG1-CD2 3.74Å
194Y98.4Very high95.6Very high39 Ų3936.5 Ų36.515%0.15323%0.225CC..EExtended strand (participates in β ladder)trans-88.6130.2164.8-68.6-78.9000108.9G35 S36 V50 D52 V192 V207G35-Y194 CarbonylContact C-O 3.56Å; G35-Y194 VanDerWaalsContact CA-O 3.22Å; G35-Y194 WeakPolarHBondContact CA-O 3.38Å; S36-Y194 PolarHBondContact N-O 3.04Å; S36-Y194 PolarHBondContact O-N 2.79Å; V50-Y194 PolarHBondContact O-OH 3.11Å; D52-Y194 HydrophobicContact CB-CD1 4.37Å; D52-Y194 HydrophobicContact CB-CD2 4.15Å; D52-Y194 HydrophobicContact CB-CE1 4.28Å; D52-Y194 HydrophobicContact CB-CE2 4.02Å; D52-Y194 HydrophobicContact CB-CG 4.32Å; V192-Y194 HydrophobicContact CG2-CD2 4.33Å; V192-Y194 HydrophobicContact CG2-CE2 3.81Å; Y194-V207 HydrophobicContact CD1-CG1 4.46Å; Y194-V207 HydrophobicContact CD1-CG2 3.72Å; Y194-V207 HydrophobicContact CE1-CG1 4.21Å; Y194-V207 HydrophobicContact CE1-CG2 3.63Å
195L98.3Very high95.8Very high4 Ų437.4 Ų37.42%0.02123%0.226CC..EExtended strand (participates in β ladder)trans-123.1137.4173-68.6178000110V33 V34 R172 T175 I193 R206 I208V33-L195 HydrophobicContact CG1-CD2 4.21Å; V34-L195 CarbonylContact O-C 3.6Å; V34-L195 WeakPolarHBondContact O-CA 3.33Å; R172-L195 HydrophobicContact CB-CD1 4.45Å; T175-L195 HydrophobicContact CG2-CD2 3.61Å; I193-L195 HydrophobicContact CG2-CD2 3.99Å; I193-L195 HydrophobicContact CG2-CG 3.99Å; L195-R206 HydrophobicContact CB-CB 4.33Å; L195-R206 PolarHBondContact N-O 2.86Å; L195-R206 PolarHBondContact O-N 2.84Å; L195-I208 HydrophobicContact CD1-CD1 3.64Å; L195-I208 HydrophobicContact CD1-CG1 4.36Å; L195-I208 HydrophobicContact CG-CD1 4.44Å
196V98.6Very high96.1Very high1 Ų137.7 Ų37.71%0.00623%0.227CC..EExtended strand (participates in β ladder)trans-127.2115.6173.7-178.70000107.8V33 V34 L54 Y62 I198 V203 D204V33-V196 WeakPolarHBondContact CA-O 3.24Å; V34-V196 PolarHBondContact N-O 3.16Å; V34-V196 PolarHBondContact O-N 3.41Å; L54-V196 HydrophobicContact CB-CG2 4.21Å; L54-V196 HydrophobicContact CD1-CB 4.21Å; L54-V196 HydrophobicContact CD1-CG2 3.6Å; Y62-V196 HydrophobicContact CD1-CG1 4.14Å; Y62-V196 HydrophobicContact CD1-CG2 4.29Å; Y62-V196 HydrophobicContact CD2-CG1 4.13Å; Y62-V196 HydrophobicContact CE1-CG1 4.03Å; Y62-V196 HydrophobicContact CE1-CG2 4.19Å; Y62-V196 HydrophobicContact CE2-CG1 4.05Å; Y62-V196 HydrophobicContact CG-CG1 4.19Å; V196-I198 HydrophobicContact CG1-CD1 4.23Å; V196-I198 HydrophobicContact CG1-CG1 3.76Å; V196-V203 HydrophobicContact CG1-CG1 3.35Å; V196-D204 WeakPolarHBondContact CA-O 3.33Å
197T98.6Very high96.3Very high6 Ų640.6 Ų40.64%0.03725%0.245CC..EExtended strand (participates in β ladder)trans-98123.8171.3-51.70000108.6F28 V32 V33 T199 V203 D204F28-T197 HydrophobicContact CE1-CG2 4.06Å; F28-T197 HydrophobicContact CZ-CG2 3.96Å; V32-T197 WeakPolarHBondContact O-CA 3.19Å; V33-T197 HydrophobicContact CG2-CG2 4.16Å; T197-T199 HydrophobicContact CG2-CG2 4.27Å; T197-V203 CarbonylContact O-C 3.5Å; T197-V203 WeakPolarHBondContact O-CA 3.41Å; T197-D204 PolarHBondContact N-O 3.28Å; T197-D204 PolarHBondContact O-N 3.38Å
198I98.6Very high96.7Very high0 Ų039 Ų390%022%0.222CC..EExtended strand (participates in β ladder)trans-116.9126.7-175.3-51.5171.3000108.4G31 V32 V34 R60 Y62 W123 V196 V203G31-I198 CarbonylContact C-O 3.58Å; G31-I198 WeakPolarHBondContact CA-O 3.44Å; V32-I198 HydrophobicContact CG2-CB 3.81Å; V32-I198 HydrophobicContact CG2-CD1 3.89Å; V32-I198 HydrophobicContact CG2-CG1 4.17Å; V32-I198 PolarHBondContact N-O 3.44Å; V32-I198 PolarHBondContact O-N 3.05Å; V34-I198 HydrophobicContact CG2-CD1 4.23Å; R60-I198 HydrophobicContact CB-CG2 3.98Å; R60-I198 WeakPolarHBondContact O-CG2 3.41Å; Y62-I198 HydrophobicContact CD2-CD1 3.49Å; Y62-I198 VanDerWaalsContact CD2-CD1 3.49Å; Y62-I198 HydrophobicContact CD2-CG1 4.2Å; Y62-I198 HydrophobicContact CE2-CD1 4.32Å; Y62-I198 HydrophobicContact CG-CD1 4.06Å; W123-I198 HydrophobicContact CB-CG2 3.81Å; V196-I198 HydrophobicContact CG1-CD1 4.23Å; V196-I198 HydrophobicContact CG1-CG1 3.76Å; I198-V203 HydrophobicContact CG1-CG1 4.42Å; I198-V203 HydrophobicContact CG1-CG2 4.46Å; I198-V203 HydrophobicContact CG2-CG2 4.29Å
199T98.1Very high97Very high35 Ų3541 Ų4122%0.21523%0.229CC..EExtended strand (participates in β ladder)trans-139.4178.6-17863.80000111.6F28 T197 D201 G202F28-T199 HydrophobicContact CE2-CG2 4.4Å; F28-T199 HydrophobicContact CZ-CG2 3.91Å; T197-T199 HydrophobicContact CG2-CG2 4.27Å; T199-D201 PolarHBondContact O-N 3.37Å; T199-D201 PolarHBondContact OG1-N 3.17Å; T199-G202 PolarHBondContact N-O 3.13Å; T199-G202 PolarHBondContact O-N 3.43Å; T199-G202 PolarHBondContact OG1-N 2.89Å; T199-G202 PolarHBondContact OG1-O 3.48Å; T199-G202 VanDerWaalsContact OG1-O 3.11Å
200A96.9Very high96.8Very high42 Ų4243 Ų4335%0.34725%0.249SC..SBendtrans-60.3-27170.400000113.9R60 W123R60-A200 PolarHBondContact NH1-O 3.44Å; R60-A200 PolarHBondContact NH2-O 3.46Å; W123-A200 HydrophobicContact CD2-CB 4.3Å; W123-A200 HydrophobicContact CH2-CB 3.78Å; W123-A200 HydrophobicContact CZ2-CB 3.28Å; W123-A200 HydrophobicContact CZ3-CB 4.48Å
201D95.9Very high96.6Very high156 Ų15649.2 Ų49.283%0.83428%0.282SS*.SBendtrans-87.2-28.6-176.9-64.2-39.8000111.9T199T199-D201 PolarHBondContact O-N 3.37Å; T199-D201 PolarHBondContact OG1-N 3.17Å
202G95.3Very high96.5Very high23 Ų2353.4 Ų53.424%0.23729%0.294CS..  trans157.4-157.718000000113.2T199T199-G202 PolarHBondContact N-O 3.13Å; T199-G202 PolarHBondContact O-N 3.43Å; T199-G202 PolarHBondContact OG1-N 2.89Å; T199-G202 PolarHBondContact OG1-O 3.48Å; T199-G202 VanDerWaalsContact OG1-O 3.11Å
203V97.9Very high96.2Very high44 Ų4454 Ų5427%0.26730%0.296SS..EExtended strand (participates in β ladder)trans-120.8128-175.7-175.80000109.9Q59 Y62 V196 T197 I198Q59-V203 VanDerWaalsContact O-CG2 3.22Å; Q59-V203 WeakPolarHBondContact O-CG2 3.49Å; Y62-V203 HydrophobicContact CE2-CG1 3.96Å; Y62-V203 HydrophobicContact CE2-CG2 4.16Å; V196-V203 HydrophobicContact CG1-CG1 3.35Å; T197-V203 CarbonylContact O-C 3.5Å; T197-V203 WeakPolarHBondContact O-CA 3.41Å; I198-V203 HydrophobicContact CG1-CG1 4.42Å; I198-V203 HydrophobicContact CG1-CG2 4.46Å; I198-V203 HydrophobicContact CG2-CG2 4.29Å
204D97.9Very high95.9Very high63 Ų6355.8 Ų55.834%0.33731%0.308SS..EExtended strand (participates in β ladder)trans-109.3117.4175-179.438.1000109.7V196 T197 R206V196-D204 WeakPolarHBondContact CA-O 3.33Å; T197-D204 PolarHBondContact N-O 3.28Å; T197-D204 PolarHBondContact O-N 3.38Å; D204-R206 IonicContact OD2-CZ 3.76Å; D204-R206 VanDerWaalsContact OD2-CZ 3.31Å; D204-R206 IonicContact OD2-NE 3.31Å; D204-R206 PolarHBondContact OD2-NE 3.07Å; D204-R206 IonicContact OD2-NH2 2.7Å; D204-R206 PolarHBondContact OD2-NH2 2.68Å
205H97.7Very high95.4Very high100 Ų10061 Ų6146%0.46333%0.331SS..EExtended strand (participates in β ladder)trans-97.5129.1177.8-73.2-95.1000110.2Y62Y62-H205 AromaticContact CE1-CE1 3.66Å; Y62-H205 AromaticContact CZ-CE1 3.73Å; Y62-H205 AromaticContact CZ-NE2 3.79Å; Y62-H205 PolarHBondContact OH-CE1 2.81Å; Y62-H205 VanDerWaalsContact OH-CE1 3.22Å; Y62-H205 PolarHBondContact OH-NE2 2.91Å
206R97.3Very high94.9Very high116 Ų11663.6 Ų63.644%0.43834%0.342SS..EExtended strand (participates in β ladder)trans-131.8145173.9-60.1-171.9-172.2-164.3-0.3110.9L195 D204L195-R206 HydrophobicContact CB-CB 4.33Å; L195-R206 PolarHBondContact N-O 2.86Å; L195-R206 PolarHBondContact O-N 2.84Å; D204-R206 IonicContact OD2-CZ 3.76Å; D204-R206 VanDerWaalsContact OD2-CZ 3.31Å; D204-R206 IonicContact OD2-NE 3.31Å; D204-R206 PolarHBondContact OD2-NE 3.07Å; D204-R206 IonicContact OD2-NH2 2.7Å; D204-R206 PolarHBondContact OD2-NH2 2.68Å
207V98Very high94.1Very high70 Ų7072.1 Ų72.142%0.42438%0.376SS..EExtended strand (participates in β ladder)trans-118.5124.9171.1-172.60000106.8V192 I193 Y194 L209V192-V207 HydrophobicContact CB-CG1 4.01Å; V192-V207 HydrophobicContact CG2-CG1 3.85Å; I193-V207 CarbonylContact O-C 3.6Å; I193-V207 WeakPolarHBondContact O-CA 3.39Å; Y194-V207 HydrophobicContact CD1-CG1 4.46Å; Y194-V207 HydrophobicContact CD1-CG2 3.72Å; Y194-V207 HydrophobicContact CE1-CG1 4.21Å; Y194-V207 HydrophobicContact CE1-CG2 3.63Å; V207-L209 HydrophobicContact CG1-CD2 4.18Å
208I97Very high92.5Very high28 Ų2875.3 Ų75.314%0.14439%0.393CS..EExtended strand (participates in β ladder)trans-100.2115.2173.7-55.5176.8000107T176 V192 I193 L195 E212 L213T176-I208 HydrophobicContact CG2-CD1 3.45Å; T176-I208 VanDerWaalsContact CG2-CD1 3.45Å; T176-I208 VanDerWaalsContact OG1-CD1 3.22Å; T176-I208 WeakPolarHBondContact OG1-CD1 3.46Å; V192-I208 WeakPolarHBondContact CA-O 3.27Å; V192-I208 WeakPolarHBondContact CB-O 3.49Å; I193-I208 HydrophobicContact CB-CB 4.26Å; I193-I208 PolarHBondContact N-O 3.18Å; I193-I208 PolarHBondContact O-N 2.81Å; L195-I208 HydrophobicContact CD1-CD1 3.64Å; L195-I208 HydrophobicContact CD1-CG1 4.36Å; L195-I208 HydrophobicContact CG-CD1 4.44Å; I208-E212 HydrophobicContact CG2-CB 3.83Å; I208-L213 HydrophobicContact CB-CD2 4.45Å; I208-L213 HydrophobicContact CG2-CD2 3.84Å
209L95.8Very high90.3Very high82 Ų8284.4 Ų84.443%0.42944%0.435SS..  trans-73.9158.8-177.7-59.5-179.1000110.8V192 V207 D211 E212 L213V192-L209 HydrophobicContact CG1-CD2 4.07Å; V207-L209 HydrophobicContact CG1-CD2 4.18Å; L209-D211 WeakPolarHBondContact CB-OD1 3.18Å; L209-D211 PolarHBondContact O-N 3.4Å; L209-D211 VanDerWaalsContact O-N 3.16Å; L209-E212 HydrophobicContact CB-CG 4.28Å; L209-E212 PolarHBondContact N-OE2 3.37Å; L209-E212 VanDerWaalsContact N-OE2 3.14Å; L209-E212 WeakPolarHBondContact O-CB 3.48Å; L209-E212 PolarHBondContact O-N 3Å; L209-L213 PolarHBondContact O-N 2.97Å
210G88.9Confident89.9Confident43 Ų4386.9 Ų86.944%0.44345%0.446SS..THydrogen-bonded Turntrans-58.7-30.4-174.600000114.3
211D89.7Confident89.5Confident135 Ų13589.2 Ų89.272%0.72245%0.451SS*.THydrogen-bonded Turntrans-79.3-16.5176.358.2-41.3000113.9L209L209-D211 WeakPolarHBondContact CB-OD1 3.18Å; L209-D211 PolarHBondContact O-N 3.4Å; L209-D211 VanDerWaalsContact O-N 3.16Å
212E92.3Very high89.2Confident117 Ų11785.5 Ų85.555%0.54743%0.43SS..THydrogen-bonded Turntrans-95.2-5.9177.2-59.217615500112.5I208 L209I208-E212 HydrophobicContact CG2-CB 3.83Å; L209-E212 HydrophobicContact CB-CG 4.28Å; L209-E212 PolarHBondContact N-OE2 3.37Å; L209-E212 VanDerWaalsContact N-OE2 3.14Å; L209-E212 WeakPolarHBondContact O-CB 3.48Å; L209-E212 PolarHBondContact O-N 3Å
213L92Very high88.8Confident29 Ų2989.2 Ų89.215%0.15244%0.441CS..SBendtrans-64.4139.9-179.1-66.1175.2000111.4T180 M183 I193 I208 L209 K215T180-L213 HydrophobicContact CG2-CB 4.14Å; M183-L213 HydrophobicContact CE-CD1 3.5Å; M183-L213 VanDerWaalsContact CE-CD1 3.5Å; I193-L213 HydrophobicContact CD1-CD2 3.4Å; I193-L213 VanDerWaalsContact CD1-CD2 3.4Å; I193-L213 HydrophobicContact CG1-CD2 3.74Å; I208-L213 HydrophobicContact CB-CD2 4.45Å; I208-L213 HydrophobicContact CG2-CD2 3.84Å; L209-L213 PolarHBondContact O-N 2.97Å; L213-K215 PolarHBondContact O-N 2.79Å
214P90.6Very high88.3Confident38 Ų3892 Ų9225%0.24745%0.452CS..PPolyproline II helixtrans-54.8131.9173.6-24.432.5000112T176 D177 T180 F216T176-P214 HydrophobicContact CG2-CG 3.82Å; D177-P214 WeakPolarHBondContact OD1-CG 3.23Å; T180-P214 VanDerWaalsContact CG2-O 3.28Å; T180-P214 WeakPolarHBondContact CG2-O 3.39Å; P214-F216 HydrophobicContact CB-CE2 3.89Å; P214-F216 HydrophobicContact CB-CZ 4.09Å
215K88.9Confident87.6Confident149 Ų14993.9 Ų93.965%0.64846%0.46SS*.PPolyproline II helixtrans-90.4132.1173.4-61.9178.9177.8-111.60109.4L213 E219L213-K215 PolarHBondContact O-N 2.79Å; K215-E219 VanDerWaalsContact CD-OE2 3.27Å; K215-E219 WeakPolarHBondContact CD-OE2 3.2Å; K215-E219 WeakPolarHBondContact CE-OE2 3.31Å; K215-E219 WeakPolarHBondContact CG-OE2 3.42Å; K215-E219 IonicContact NZ-OE2 2.81Å; K215-E219 PolarHBondContact NZ-OE2 3.41Å
216F87.6Confident86.9Confident58 Ų5893.5 Ų93.525%0.25446%0.46SS..  trans-110.2-156.5176.6-66.1-82.4000110.1D177 T180 L181 P214 D218D177-F216 HydrophobicContact CB-CZ 3.89Å; T180-F216 HydrophobicContact CG2-CD2 4.2Å; T180-F216 HydrophobicContact CG2-CE2 3.82Å; L181-F216 HydrophobicContact CD1-CE1 4.21Å; L181-F216 HydrophobicContact CD1-CZ 4.18Å; L181-F216 HydrophobicContact CD2-CB 4.18Å; L181-F216 HydrophobicContact CD2-CD1 3.76Å; L181-F216 HydrophobicContact CD2-CD2 3.66Å; L181-F216 HydrophobicContact CD2-CE1 4Å; L181-F216 HydrophobicContact CD2-CE2 3.91Å; L181-F216 HydrophobicContact CD2-CG 3.58Å; L181-F216 HydrophobicContact CD2-CZ 4.08Å; L181-F216 HydrophobicContact CG-CD1 4.33Å; L181-F216 HydrophobicContact CG-CD2 4.05Å; L181-F216 HydrophobicContact CG-CE1 4.06Å; L181-F216 HydrophobicContact CG-CE2 3.76Å; L181-F216 HydrophobicContact CG-CG 4.32Å; L181-F216 HydrophobicContact CG-CZ 3.77Å; P214-F216 HydrophobicContact CB-CE2 3.89Å; P214-F216 HydrophobicContact CB-CZ 4.09Å; F216-D218 PolarHBondContact O-N 3.31Å
217Y80.4Confident86.1Confident180 Ų18091.8 Ų91.871%0.70646%0.461SS*.THydrogen-bonded Turntrans-65.5-22-172.491.7-96.1000114.7R185 E219R185-Y217 PolarHBondContact NH2-OH 3.16Å; Y217-E219 PolarHBondContact O-N 3.3Å
218D65.6Low85.1Confident74 Ų7493.6 Ų93.640%0.39647%0.465SS..THydrogen-bonded Turntrans-77-0.1-174-63.2-56.3000113.7R185 F216R185-D218 IonicContact CZ-OD1 3.65Å; R185-D218 IonicContact CZ-OD2 3.97Å; R185-D218 IonicContact NE-OD2 2.71Å; R185-D218 IonicContact NH2-OD1 2.68Å; R185-D218 PolarHBondContact NH2-OD1 3.01Å; R185-D218 IonicContact NH2-OD2 3.23Å; R185-D218 PolarHBondContact NH2-OD2 3.36Å; F216-D218 PolarHBondContact O-N 3.31Å
219E52.7Low84Confident190 Ų19099.5 Ų99.589%0.88849%0.494SS*.  trans-133.70176.8-69.5-165.9161.900113.4K215 Y217K215-E219 VanDerWaalsContact CD-OE2 3.27Å; K215-E219 WeakPolarHBondContact CD-OE2 3.2Å; K215-E219 WeakPolarHBondContact CE-OE2 3.31Å; K215-E219 WeakPolarHBondContact CG-OE2 3.42Å; K215-E219 IonicContact NZ-OE2 2.81Å; K215-E219 PolarHBondContact NZ-OE2 3.41Å; Y217-E219 PolarHBondContact O-N 3.3Å

Retrieved 219 of 219 residues in 60.6 ms (Link to these results)

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