A0A087Y666_POEFO Loading...

small monomeric GTPase

AlphaFold DB , UniProt , Accession A0A087Y666, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 205 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M45.3Very low80.4Confident201 Ų20175.6 Ų75.699%0.9939%0.393SS*.  087.20-90.2169.3153.800107E3M1-E3 HydrophobicContact CB-CG 4.24Å; M1-E3 HydrophobicContact CG-CG 4.21Å; M1-E3 PolarHBondContact O-N 3.37Å
2D57.4Low81.6Confident138 Ų13869.3 Ų69.374%0.73836%0.36SS*.  trans-83.339171-67.9-76000110.3D4D2-D4 VanDerWaalsContact C-N 3.3Å; D2-D4 PolarHBondContact O-N 2.88Å; D2-D4 VanDerWaalsContact O-N 3.13Å
3E57.6Low82.7Confident147 Ų14764.1 Ų64.169%0.68733%0.333SS*.THydrogen-bonded Turntrans-792.1-156.5-75.7-169156.500116.4M1M1-E3 HydrophobicContact CB-CG 4.24Å; M1-E3 HydrophobicContact CG-CG 4.21Å; M1-E3 PolarHBondContact O-N 3.37Å
4D79.3Confident83.6Confident111 Ų11159.5 Ų59.559%0.59431%0.309SS*.THydrogen-bonded Turntrans-134.115.4178.1-64.5-34.1000114.8D2 L6 K56D2-D4 VanDerWaalsContact C-N 3.3Å; D2-D4 PolarHBondContact O-N 2.88Å; D2-D4 VanDerWaalsContact O-N 3.13Å; D4-L6 PolarHBondContact O-N 3.12Å; D4-K56 HydrophobicContact CB-CD 3.83Å; D4-K56 WeakPolarHBondContact O-CB 3.32Å; D4-K56 IonicContact OD2-NZ 2.88Å; D4-K56 PolarHBondContact OD2-NZ 3.22Å
5V85.2Confident84.4Confident50 Ų5055.5 Ų55.530%0.30329%0.288SS..EExtended strand (participates in β ladder)trans-82.8113.2177.8179.40000109.5T7 K56 K58V5-T7 WeakPolarHBondContact CG1-O 3.4Å; V5-K56 CarbonylContact C-O 3.47Å; V5-K56 WeakPolarHBondContact CA-O 3.21Å; V5-K58 HydrophobicContact CG1-CB 3.85Å
6L88.1Confident85Confident61 Ų6153.1 Ų53.132%0.31928%0.275SS..EExtended strand (participates in β ladder)trans-61.7-47.9179.3176.865.7000111.6D4 N55 K56 L170 W176D4-L6 PolarHBondContact O-N 3.12Å; L6-N55 HydrophobicContact CD2-CB 3.75Å; L6-K56 PolarHBondContact N-O 2.97Å; L6-L170 HydrophobicContact CD2-CD2 4.12Å; L6-W176 HydrophobicContact CD1-CH2 4.16Å; L6-W176 HydrophobicContact CD1-CZ3 3.84Å; L6-W176 HydrophobicContact CD2-CH2 3.85Å; L6-W176 HydrophobicContact CD2-CZ3 3.86Å; L6-W176 HydrophobicContact CG-CE3 4.43Å; L6-W176 HydrophobicContact CG-CH2 4.2Å; L6-W176 HydrophobicContact CG-CZ3 3.75Å
7T91.3Very high85.5Confident17 Ų1752.4 Ų52.410%0.10428%0.276CS..EExtended strand (participates in β ladder)trans-161.1163.4-177.3-170.20000111.6V5 L9 K58 L170 W176V5-T7 WeakPolarHBondContact CG1-O 3.4Å; T7-L9 HydrophobicContact CG2-CD2 3.66Å; T7-L9 HydrophobicContact CG2-CG 4.04Å; T7-K58 PolarHBondContact O-N 3.07Å; T7-L170 HydrophobicContact CG2-CD2 4.03Å; T7-W176 HydrophobicContact CG2-CB 4.08Å; T7-W176 HydrophobicContact CG2-CD2 4.26Å; T7-W176 HydrophobicContact CG2-CE3 3.89Å; T7-W176 HydrophobicContact CG2-CG 4.38Å; T7-W176 PolarHBondContact OG1-O 2.88Å
8T93.7Very high86Confident67 Ų6752.3 Ų52.341%0.41129%0.29SS..EExtended strand (participates in β ladder)trans-105.2125.2168.7-60.30000109.3K58 A60T8-K58 CarbonylContact C-O 3.55Å; T8-K58 WeakPolarHBondContact CA-O 3.46Å; T8-K58 HydrophobicContact CG2-CB 4.39Å; T8-K58 HydrophobicContact CG2-CD 4.49Å; T8-K58 HydrophobicContact CG2-CG 4.39Å; T8-A60 HydrophobicContact CG2-CB 4.13Å
9L95.2Very high86.6Confident0 Ų049.5 Ų49.50%027%0.274CS..EExtended strand (participates in β ladder)trans-108.1122.8-179.8-56.8180000110.3T7 A57 K58 L59 A60 V166 I169 L170 W176T7-L9 HydrophobicContact CG2-CD2 3.66Å; T7-L9 HydrophobicContact CG2-CG 4.04Å; L9-A57 HydrophobicContact CD1-CB 4.2Å; L9-K58 PolarHBondContact N-O 2.8Å; L9-L59 HydrophobicContact CB-CD2 4.05Å; L9-L59 HydrophobicContact CD1-CD2 4.14Å; L9-L59 HydrophobicContact CG-CD2 4.49Å; L9-L59 WeakPolarHBondContact O-CA 3.24Å; L9-A60 PolarHBondContact O-N 3.13Å; L9-V166 HydrophobicContact CD1-CG1 3.74Å; L9-V166 HydrophobicContact CD1-CG2 4.43Å; L9-I169 HydrophobicContact CD1-CB 4.35Å; L9-I169 HydrophobicContact CD1-CG2 3.77Å; L9-I169 HydrophobicContact CD2-CG2 3.71Å; L9-I169 HydrophobicContact CG-CG2 4.34Å; L9-L170 HydrophobicContact CD1-CD2 4.42Å; L9-W176 HydrophobicContact CD2-CB 3.65Å
10K94.8Very high87.1Confident40 Ų4047.7 Ų47.717%0.17427%0.267CS..EExtended strand (participates in β ladder)trans-81.8114.8170.8-176175.3172.9-1770109.8A60 Y77 R79 Q82 G83K10-A60 WeakPolarHBondContact CA-O 3.41Å; K10-Y77 WeakPolarHBondContact CE-O 3.27Å; K10-Y77 PolarHBondContact NZ-O 2.84Å; K10-R79 PolarHBondContact NZ-O 3.1Å; K10-Q82 PolarHBondContact O-N 2.9Å; K10-G83 PolarHBondContact O-N 3.21Å
11L96.2Very high87.5Confident0 Ų045.8 Ų45.80%026%0.256CS..EExtended strand (participates in β ladder)trans-110.1143.8174.7-55-174.4000110.3L59 A60 I61 W62 G83 F162 L165 V166 I169L11-L59 HydrophobicContact CD1-CB 4.39Å; L11-L59 HydrophobicContact CD1-CD1 4.08Å; L11-L59 HydrophobicContact CD1-CD2 4.26Å; L11-L59 HydrophobicContact CD1-CG 4.48Å; L11-A60 PolarHBondContact N-O 3.27Å; L11-I61 HydrophobicContact CB-CG1 4.29Å; L11-I61 HydrophobicContact CB-CG2 4.3Å; L11-I61 HydrophobicContact CD1-CG1 4.34Å; L11-I61 WeakPolarHBondContact O-CA 3.35Å; L11-W62 PolarHBondContact O-N 3.18Å; L11-G83 WeakPolarHBondContact CA-O 3.19Å; L11-F162 HydrophobicContact CD1-CD1 4.35Å; L11-L165 HydrophobicContact CD1-CD2 4.35Å; L11-L165 HydrophobicContact CD2-CD2 4.11Å; L11-V166 HydrophobicContact CD1-CG2 4.22Å; L11-I169 HydrophobicContact CD2-CD1 3.66Å
12L95.2Very high90Very high0 Ų037.1 Ų37.10%022%0.215CC..EExtended strand (participates in β ladder)trans-122.6135.5176.3-174.770.7000109.9I14 W62 T64 Y78 A81 G83 V84 I85L12-I14 HydrophobicContact CD2-CG2 3.65Å; L12-I14 HydrophobicContact CG-CG2 3.73Å; L12-W62 HydrophobicContact CD1-CB 3.68Å; L12-T64 HydrophobicContact CD1-CG2 3.49Å; L12-T64 VanDerWaalsContact CD1-CG2 3.49Å; L12-T64 HydrophobicContact CG-CG2 4.35Å; L12-Y78 HydrophobicContact CD2-CD1 3.36Å; L12-Y78 HydrophobicContact CD2-CE1 3.48Å; L12-Y78 VanDerWaalsContact CD2-CE1 3.48Å; L12-Y78 HydrophobicContact CD2-CG 4.1Å; L12-A81 HydrophobicContact CB-CB 4.39Å; L12-G83 PolarHBondContact N-O 3Å; L12-V84 HydrophobicContact CB-CG2 4.26Å; L12-V84 CarbonylContact O-C 3.55Å; L12-V84 WeakPolarHBondContact O-CA 3.38Å; L12-I85 PolarHBondContact O-N 3.35Å
13I96.1Very high91.9Very high1 Ų131.3 Ų31.31%0.00519%0.185CC..EExtended strand (participates in β ladder)trans-110.3121.8173.5-45.6-179000108.8K21 L25 I61 W62 T64 I85 V87 F162I13-K21 HydrophobicContact CG2-CB 3.74Å; I13-K21 HydrophobicContact CG2-CD 3.97Å; I13-K21 HydrophobicContact CG2-CG 3.85Å; I13-L25 HydrophobicContact CD1-CB 4.03Å; I13-L25 HydrophobicContact CD1-CD1 4.32Å; I13-I61 HydrophobicContact CD1-CG2 3.77Å; I13-I61 HydrophobicContact CG1-CG2 3.92Å; I13-W62 PolarHBondContact N-O 2.77Å; I13-T64 PolarHBondContact O-N 3.15Å; I13-T64 PolarHBondContact O-OG1 3.18Å; I13-I85 WeakPolarHBondContact CA-O 3.32Å; I13-I85 HydrophobicContact CG1-CB 4.41Å; I13-I85 HydrophobicContact CG1-CD1 4.46Å; I13-I85 HydrophobicContact CG2-CB 4.28Å; I13-I85 HydrophobicContact CG2-CG2 4.42Å; I13-V87 HydrophobicContact CG2-CG2 3.71Å; I13-F162 HydrophobicContact CD1-CE1 4.26Å; I13-F162 HydrophobicContact CD1-CZ 4.02Å
14I95.1Very high93.8Very high0 Ų024.6 Ų24.60%015%0.154CC..EExtended strand (participates in β ladder)trans-130161.5-177.966.9178.9000111.7L12 T64 Y78 V84 I85 L86 V87 W102 L106L12-I14 HydrophobicContact CD2-CG2 3.65Å; L12-I14 HydrophobicContact CG-CG2 3.73Å; I14-T64 HydrophobicContact CG2-CG2 4.46Å; I14-Y78 HydrophobicContact CD1-CE1 4.32Å; I14-Y78 HydrophobicContact CG2-CE1 4.13Å; I14-V84 HydrophobicContact CD1-CG1 3.75Å; I14-V84 HydrophobicContact CG1-CG1 3.89Å; I14-I85 PolarHBondContact N-O 3.46Å; I14-L86 HydrophobicContact CD1-CD2 4.14Å; I14-L86 HydrophobicContact CD1-CG 3.96Å; I14-L86 HydrophobicContact CG1-CD2 4.42Å; I14-L86 HydrophobicContact CG1-CG 3.86Å; I14-V87 PolarHBondContact O-N 2.92Å; I14-W102 HydrophobicContact CB-CD2 4.47Å; I14-W102 HydrophobicContact CB-CE3 3.83Å; I14-W102 HydrophobicContact CB-CZ3 4.08Å; I14-W102 HydrophobicContact CD1-CB 4.19Å; I14-W102 HydrophobicContact CD1-CE3 4.29Å; I14-W102 HydrophobicContact CG1-CE3 4.39Å; I14-W102 HydrophobicContact CG2-CE3 4.49Å; I14-W102 HydrophobicContact CG2-CZ3 4.48Å; I14-L106 HydrophobicContact CD1-CB 4.42Å
15G95.2Very high94.7Very high0 Ų019.4 Ų19.40%013%0.126CC..  trans139.2168.5-17600000112.3K21 G66 W102G15-K21 PolarHBondContact O-NZ 2.98Å; G15-G66 VanDerWaalsContact O-CA 3.26Å; G15-G66 WeakPolarHBondContact O-CA 3.49Å; G15-W102 VanDerWaalsContact C-CE2 3.42Å; G15-W102 WeakPolarHBondContact O-CZ2 3.3Å
16E94.6Very high95.2Very high16 Ų1618.4 Ų18.48%0.07512%0.119CC..  trans-57.6161.6-174.3-74-61105.100114.1G18 V19 K21 R71 K98 W102E16-G18 PolarHBondContact O-N 3.31Å; E16-V19 HydrophobicContact CB-CG1 3.73Å; E16-V19 VanDerWaalsContact O-CG2 3.22Å; E16-V19 WeakPolarHBondContact O-CG2 3.25Å; E16-K21 PolarHBondContact O-NZ 2.9Å; E16-R71 IonicContact OE1-CZ 3.69Å; E16-R71 IonicContact OE1-NH2 3.59Å; E16-R71 PolarHBondContact OE1-NH2 2.9Å; E16-K98 HydrophobicContact CG-CB 4.03Å; E16-K98 HydrophobicContact CG-CD 3.68Å; E16-K98 WeakPolarHBondContact OE2-CD 3.45Å; E16-K98 IonicContact OE2-NZ 2.74Å; E16-K98 PolarHBondContact OE2-NZ 3.38Å; E16-W102 PolarHBondContact OE1-NE1 3Å
17S93.3Very high95.7Very high41 Ų4116.7 Ų16.729%0.28711%0.108SC..THydrogen-bonded Turntrans-60139.8171.1-170.60000110.4V19 G66 R92S17-V19 VanDerWaalsContact C-N 3.28Å; S17-V19 PolarHBondContact O-N 2.79Å; S17-G66 PolarHBondContact N-O 2.8Å; S17-R92 PolarHBondContact O-NH2 2.79Å
18G94.1Very high96Very high51 Ų5116.2 Ų16.253%0.52611%0.105SC..THydrogen-bonded Turntrans74.35.4175.200000116E16 G20 K123E16-G18 PolarHBondContact O-N 3.31Å; G18-G20 PolarHBondContact O-N 3.41Å; G18-K123 WeakPolarHBondContact O-CE 3.45Å; G18-K123 PolarHBondContact O-NZ 3.41Å
19V97Very high96.1Very high0 Ų014.7 Ų14.70%010%0.096CC..SBendtrans-73.6-14.4175.2-57.10000113.4E16 S17 K21 V87 D89 N122E16-V19 HydrophobicContact CB-CG1 3.73Å; E16-V19 VanDerWaalsContact O-CG2 3.22Å; E16-V19 WeakPolarHBondContact O-CG2 3.25Å; S17-V19 VanDerWaalsContact C-N 3.28Å; S17-V19 PolarHBondContact O-N 2.79Å; V19-K21 HydrophobicContact CG2-CD 4.34Å; V19-K21 HydrophobicContact CG2-CG 3.66Å; V19-V87 HydrophobicContact CB-CG1 4.2Å; V19-V87 HydrophobicContact CG2-CB 3.84Å; V19-V87 HydrophobicContact CG2-CG1 3.74Å; V19-D89 HydrophobicContact CB-CB 4.31Å; V19-D89 HydrophobicContact CG1-CB 4.16Å; V19-N122 PolarHBondContact O-ND2 2.88Å
20G96.9Very high96.1Very high12 Ų1219.4 Ų19.412%0.12412%0.117CC..SBendtrans99.426.5175.600000115.6G18 S23 L24G18-G20 PolarHBondContact O-N 3.41Å; G20-S23 PolarHBondContact O-N 3.03Å; G20-L24 WeakPolarHBondContact O-CG 3.42Å; G20-L24 PolarHBondContact O-N 2.96Å
21K96.9Very high96.1Very high8 Ų821.7 Ų21.74%0.03513%0.132CC..Hα-helixtrans-54.8-53.9175.4-58.2-171.4-58.5-73.70112.6I13 G15 E16 V19 S23 L24 L25 D63 T64 V87I13-K21 HydrophobicContact CG2-CB 3.74Å; I13-K21 HydrophobicContact CG2-CD 3.97Å; I13-K21 HydrophobicContact CG2-CG 3.85Å; G15-K21 PolarHBondContact O-NZ 2.98Å; E16-K21 PolarHBondContact O-NZ 2.9Å; V19-K21 HydrophobicContact CG2-CD 4.34Å; V19-K21 HydrophobicContact CG2-CG 3.66Å; K21-S23 VanDerWaalsContact C-N 3.32Å; K21-S23 PolarHBondContact O-N 2.97Å; K21-L24 WeakPolarHBondContact O-CB 3.5Å; K21-L24 PolarHBondContact O-N 2.81Å; K21-L25 PolarHBondContact O-N 3.34Å; K21-D63 WeakPolarHBondContact CB-OD1 3.23Å; K21-T64 WeakPolarHBondContact CE-O 3.38Å; K21-T64 PolarHBondContact NZ-O 3.27Å; K21-V87 HydrophobicContact CG-CB 4.01Å; K21-V87 HydrophobicContact CG-CG2 4.04Å
22S96.5Very high96.1Very high20 Ų2024.7 Ų24.714%0.1415%0.15CC..Hα-helixtrans-62.9-38.5177.8-37.60000111.9L25 L26 T40 D63S22-L25 PolarHBondContact O-N 3.15Å; S22-L26 VanDerWaalsContact O-CB 3.23Å; S22-L26 WeakPolarHBondContact O-CB 3.33Å; S22-L26 PolarHBondContact O-N 2.91Å; S22-T40 PolarHBondContact OG-OG1 3.34Å; S22-D63 WeakPolarHBondContact CA-OD2 3.33Å; S22-D63 VanDerWaalsContact CB-OD2 3.27Å; S22-D63 WeakPolarHBondContact CB-OD2 3.33Å; S22-D63 PolarHBondContact OG-OD2 3.16Å
23S97.6Very high96.1Very high15 Ų1528.1 Ų28.111%0.10517%0.165CC..Hα-helixtrans-66.5-38.4176.7-490000112.3G20 K21 R27G20-S23 PolarHBondContact O-N 3.03Å; K21-S23 VanDerWaalsContact C-N 3.32Å; K21-S23 PolarHBondContact O-N 2.97Å; S23-R27 VanDerWaalsContact O-CB 3.22Å; S23-R27 WeakPolarHBondContact O-CB 3.48Å; S23-R27 PolarHBondContact O-N 3.4Å
24L98.2Very high96Very high6 Ų631.1 Ų31.13%0.03118%0.181CC..Hα-helixtrans-64.9-44.7173.2-75169.4000110.9G20 K21 R27 F28 V87 V120 N122 A150 A152 V158G20-L24 WeakPolarHBondContact O-CG 3.42Å; G20-L24 PolarHBondContact O-N 2.96Å; K21-L24 WeakPolarHBondContact O-CB 3.5Å; K21-L24 PolarHBondContact O-N 2.81Å; L24-R27 PolarHBondContact O-N 3.41Å; L24-F28 VanDerWaalsContact O-CB 3.29Å; L24-F28 WeakPolarHBondContact O-CB 3.47Å; L24-F28 PolarHBondContact O-N 3.3Å; L24-V87 HydrophobicContact CD1-CG1 3.74Å; L24-V87 HydrophobicContact CD1-CG2 3.96Å; L24-V120 HydrophobicContact CD1-CG1 3.97Å; L24-N122 HydrophobicContact CD1-CB 4.22Å; L24-A150 HydrophobicContact CD2-CB 4.08Å; L24-A152 HydrophobicContact CD2-CB 4.08Å; L24-A152 HydrophobicContact CG-CB 4.31Å; L24-V158 HydrophobicContact CD2-CB 4.49Å; L24-V158 HydrophobicContact CD2-CG1 4.29Å; L24-V158 HydrophobicContact CD2-CG2 3.7Å
25L97.2Very high95.7Very high3 Ų336.2 Ų36.22%0.01622%0.215CC..Hα-helixtrans-61.6-49.1176.8-179.157.9000111.2I13 K21 S22 R27 F28 T29 K46 I61 D63I13-L25 HydrophobicContact CD1-CB 4.03Å; I13-L25 HydrophobicContact CD1-CD1 4.32Å; K21-L25 PolarHBondContact O-N 3.34Å; S22-L25 PolarHBondContact O-N 3.15Å; L25-R27 PolarHBondContact O-N 3Å; L25-F28 CarbonylContact O-C 3.47Å; L25-F28 WeakPolarHBondContact O-CB 3.41Å; L25-F28 PolarHBondContact O-N 3.28Å; L25-T29 HydrophobicContact CD1-CG2 3.76Å; L25-T29 HydrophobicContact CG-CG2 4.39Å; L25-T29 WeakPolarHBondContact O-CG2 3.4Å; L25-T29 PolarHBondContact O-N 3.39Å; L25-T29 PolarHBondContact O-OG1 3.16Å; L25-K46 HydrophobicContact CD1-CB 4.24Å; L25-K46 HydrophobicContact CD2-CB 4.13Å; L25-K46 HydrophobicContact CD2-CG 3.82Å; L25-K46 HydrophobicContact CG-CB 4.4Å; L25-K46 HydrophobicContact CG-CG 4.17Å; L25-I61 HydrophobicContact CD1-CB 4Å; L25-I61 HydrophobicContact CD1-CD1 3.8Å; L25-I61 HydrophobicContact CD1-CG2 3.71Å; L25-I61 HydrophobicContact CD2-CG2 4.44Å; L25-D63 HydrophobicContact CD2-CB 3.65Å
26L96.4Very high95.5Very high28 Ų2844.6 Ų44.615%0.14725%0.254CS..Hα-helixtrans-59-47.8178.1-177.668000111.4S22 F28 T29 E30 D31 T32 D34S22-L26 VanDerWaalsContact O-CB 3.23Å; S22-L26 WeakPolarHBondContact O-CB 3.33Å; S22-L26 PolarHBondContact O-N 2.91Å; L26-F28 VanDerWaalsContact C-N 3.28Å; L26-F28 PolarHBondContact O-N 3.01Å; L26-T29 PolarHBondContact O-N 2.95Å; L26-E30 HydrophobicContact CD1-CB 4.05Å; L26-E30 VanDerWaalsContact CD1-CD 3.48Å; L26-E30 HydrophobicContact CD1-CG 4.14Å; L26-E30 VanDerWaalsContact CD1-OE2 3.3Å; L26-E30 WeakPolarHBondContact CD1-OE2 3.47Å; L26-E30 PolarHBondContact O-N 2.79Å; L26-D31 PolarHBondContact O-N 2.71Å; L26-T32 WeakPolarHBondContact CG-OG1 3.39Å; L26-D34 HydrophobicContact CD2-CB 4.34Å
27R97.6Very high95.2Very high25 Ų2547.3 Ų47.39%0.09427%0.266CS..Hα-helixtrans-58.9-43.3176.1174.455.967.9-166.2-1.3111.1S23 L24 L25 D31 T32 A152 K155 V158S23-R27 VanDerWaalsContact O-CB 3.22Å; S23-R27 WeakPolarHBondContact O-CB 3.48Å; S23-R27 PolarHBondContact O-N 3.4Å; L24-R27 PolarHBondContact O-N 3.41Å; L25-R27 PolarHBondContact O-N 3Å; R27-D31 WeakPolarHBondContact CD-OD1 3.21Å; R27-D31 IonicContact CZ-OD1 3.71Å; R27-D31 PolarHBondContact NH1-O 2.92Å; R27-D31 IonicContact NH1-OD1 3.52Å; R27-D31 PolarHBondContact NH1-OD1 2.89Å; R27-D31 VanDerWaalsContact O-CA 3.28Å; R27-D31 WeakPolarHBondContact O-CA 3.36Å; R27-D31 PolarHBondContact O-N 3.37Å; R27-D31 VanDerWaalsContact O-N 3.16Å; R27-T32 WeakPolarHBondContact CA-O 3.39Å; R27-A152 HydrophobicContact CB-CB 4.45Å; R27-A152 PolarHBondContact NE-O 3.34Å; R27-K155 VanDerWaalsContact NH1-CE 3.26Å; R27-V158 HydrophobicContact CB-CG1 4.21Å; R27-V158 HydrophobicContact CG-CB 4.12Å; R27-V158 HydrophobicContact CG-CG1 3.88Å; R27-V158 HydrophobicContact CG-CG2 3.94Å
28F97.6Very high94.8Very high7 Ų749.7 Ų49.73%0.03128%0.283CS..Hα-helixtrans-67-44.1177.9175.4-112.1000111.9L24 L25 L26 K48 L50 L59 I61 V158 Q159 F162L24-F28 VanDerWaalsContact O-CB 3.29Å; L24-F28 WeakPolarHBondContact O-CB 3.47Å; L24-F28 PolarHBondContact O-N 3.3Å; L25-F28 CarbonylContact O-C 3.47Å; L25-F28 WeakPolarHBondContact O-CB 3.41Å; L25-F28 PolarHBondContact O-N 3.28Å; L26-F28 VanDerWaalsContact C-N 3.28Å; L26-F28 PolarHBondContact O-N 3.01Å; F28-K48 HydrophobicContact CD1-CD 4.01Å; F28-K48 HydrophobicContact CE1-CB 4.22Å; F28-K48 HydrophobicContact CE1-CD 3.57Å; F28-K48 HydrophobicContact CE1-CG 4.19Å; F28-K48 HydrophobicContact CE2-CD 4.29Å; F28-K48 HydrophobicContact CZ-CD 3.71Å; F28-K48 HydrophobicContact CZ-CG 4.35Å; F28-K48 PolarHBondContact O-NZ 3.34Å; F28-L50 HydrophobicContact CE2-CD1 4.17Å; F28-L50 HydrophobicContact CE2-CD2 4.04Å; F28-L50 HydrophobicContact CZ-CD1 3.76Å; F28-L50 HydrophobicContact CZ-CD2 3.78Å; F28-L50 HydrophobicContact CZ-CG 3.91Å; F28-L59 HydrophobicContact CE1-CD1 4.02Å; F28-L59 HydrophobicContact CZ-CD1 3.92Å; F28-I61 HydrophobicContact CD1-CD1 4.01Å; F28-I61 HydrophobicContact CE1-CD1 3.72Å; F28-V158 HydrophobicContact CB-CG1 3.99Å; F28-Q159 VanDerWaalsContact CD2-OE1 3.28Å; F28-F162 HydrophobicContact CB-CD2 3.85Å; F28-F162 HydrophobicContact CB-CE2 3.6Å; F28-F162 HydrophobicContact CB-CZ 4.13Å; F28-F162 AromaticContact CD1-CD1 3.88Å; F28-F162 HydrophobicContact CD1-CD1 3.88Å; F28-F162 AromaticContact CD1-CD2 3.99Å; F28-F162 HydrophobicContact CD1-CD2 3.99Å; F28-F162 AromaticContact CD1-CE1 3.96Å; F28-F162 HydrophobicContact CD1-CE1 3.96Å; F28-F162 HydrophobicContact CD1-CE2 4.09Å; F28-F162 AromaticContact CD1-CG 3.9Å; F28-F162 HydrophobicContact CD1-CG 3.9Å; F28-F162 HydrophobicContact CD1-CZ 4.07Å; F28-F162 HydrophobicContact CD2-CB 3.92Å; F28-F162 AromaticContact CD2-CD2 3.56Å; F28-F162 HydrophobicContact CD2-CD2 3.56Å; F28-F162 HydrophobicContact CD2-CE2 4.21Å; F28-F162 AromaticContact CD2-CG 3.77Å; F28-F162 HydrophobicContact CD2-CG 3.77Å; F28-F162 HydrophobicContact CE1-CB 4.23Å; F28-F162 AromaticContact CE1-CD1 3.81Å; F28-F162 HydrophobicContact CE1-CD1 3.81Å; F28-F162 HydrophobicContact CE1-CD2 4.44Å; F28-F162 HydrophobicContact CE1-CE1 4.27Å; F28-F162 AromaticContact CE1-CG 3.92Å; F28-F162 HydrophobicContact CE1-CG 3.92Å; F28-F162 HydrophobicContact CE2-CB 3.51Å; F28-F162 HydrophobicContact CE2-CD2 4.07Å; F28-F162 AromaticContact CE2-CG 3.8Å; F28-F162 HydrophobicContact CE2-CG 3.8Å; F28-F162 HydrophobicContact CG-CB 4.45Å; F28-F162 HydrophobicContact CG-CD1 4.26Å; F28-F162 AromaticContact CG-CD2 3.52Å; F28-F162 HydrophobicContact CG-CD2 3.52Å; F28-F162 HydrophobicContact CG-CE1 4.41Å; F28-F162 AromaticContact CG-CE2 3.71Å; F28-F162 HydrophobicContact CG-CE2 3.71Å; F28-F162 AromaticContact CG-CG 3.83Å; F28-F162 HydrophobicContact CG-CG 3.83Å; F28-F162 HydrophobicContact CG-CZ 4.16Å; F28-F162 HydrophobicContact CZ-CB 3.7Å; F28-F162 HydrophobicContact CZ-CD1 4.16Å; F28-F162 HydrophobicContact CZ-CD2 4.49Å; F28-F162 AromaticContact CZ-CG 3.88Å; F28-F162 HydrophobicContact CZ-CG 3.88Å
29T95.7Very high94.5Very high36 Ų3649.9 Ų49.922%0.22128%0.28CS..Hα-helixtrans-84.6-35.9-172.354.90000114.3L25 L26 K46 K48L25-T29 HydrophobicContact CD1-CG2 3.76Å; L25-T29 HydrophobicContact CG-CG2 4.39Å; L25-T29 WeakPolarHBondContact O-CG2 3.4Å; L25-T29 PolarHBondContact O-N 3.39Å; L25-T29 PolarHBondContact O-OG1 3.16Å; L26-T29 PolarHBondContact O-N 2.95Å; T29-K46 HydrophobicContact CG2-CB 4.14Å; T29-K48 HydrophobicContact CG2-CB 4.33Å; T29-K48 HydrophobicContact CG2-CD 4.39Å
30E95.1Very high93.7Very high98 Ų9851.3 Ų51.346%0.45829%0.288SS..Hα-helixtrans-121.6-5.2-168.2-63.6177.5-152.600112.9L26 T32 K46L26-E30 HydrophobicContact CD1-CB 4.05Å; L26-E30 VanDerWaalsContact CD1-CD 3.48Å; L26-E30 HydrophobicContact CD1-CG 4.14Å; L26-E30 VanDerWaalsContact CD1-OE2 3.3Å; L26-E30 WeakPolarHBondContact CD1-OE2 3.47Å; L26-E30 PolarHBondContact O-N 2.79Å; E30-T32 PolarHBondContact O-N 2.92Å; E30-K46 IonicContact OE1-NZ 3.07Å; E30-K46 PolarHBondContact OE1-NZ 3.44Å
31D95.8Very high92.9Very high88 Ų8857.5 Ų57.547%0.47132%0.317SS..SBendtrans5137.6-173.7-164.427.2000113.6L26 R27 K155L26-D31 PolarHBondContact O-N 2.71Å; R27-D31 WeakPolarHBondContact CD-OD1 3.21Å; R27-D31 IonicContact CZ-OD1 3.71Å; R27-D31 PolarHBondContact NH1-O 2.92Å; R27-D31 IonicContact NH1-OD1 3.52Å; R27-D31 PolarHBondContact NH1-OD1 2.89Å; R27-D31 VanDerWaalsContact O-CA 3.28Å; R27-D31 WeakPolarHBondContact O-CA 3.36Å; R27-D31 PolarHBondContact O-N 3.37Å; R27-D31 VanDerWaalsContact O-N 3.16Å; D31-K155 WeakPolarHBondContact OD1-CD 3.4Å; D31-K155 VanDerWaalsContact OD1-CE 3.24Å; D31-K155 WeakPolarHBondContact OD1-CE 3.3Å; D31-K155 IonicContact OD1-NZ 2.74Å; D31-K155 PolarHBondContact OD1-NZ 2.86Å; D31-K155 IonicContact OD2-NZ 3.63Å; D31-K155 PolarHBondContact OD2-NZ 2.93Å
32T95.9Very high92.1Very high64 Ų6458.1 Ų58.139%0.39333%0.326SS..  trans-122.2165.3175.556.70000111.3L26 R27 E30L26-T32 WeakPolarHBondContact CG-OG1 3.39Å; R27-T32 WeakPolarHBondContact CA-O 3.39Å; E30-T32 PolarHBondContact O-N 2.92Å
33F95.9Very high91.6Very high71 Ų7159 Ų5931%0.31133%0.33SS..  trans-142.2129.4172.9172-97.9000109P35 A152 K153F33-P35 HydrophobicContact CD1-CG 4.12Å; F33-P35 HydrophobicContact CE1-CB 4.09Å; F33-P35 HydrophobicContact CE1-CG 3.81Å; F33-A152 HydrophobicContact CD2-CB 4.17Å; F33-A152 HydrophobicContact CE2-CB 4.36Å; F33-K153 HydrophobicContact CD1-CG 4.21Å; F33-K153 HydrophobicContact CD2-CB 4.38Å; F33-K153 HydrophobicContact CE1-CB 4.27Å; F33-K153 HydrophobicContact CE1-CG 3.94Å; F33-K153 HydrophobicContact CE2-CB 4.14Å; F33-K153 HydrophobicContact CZ-CB 4.08Å; F33-K153 HydrophobicContact CZ-CG 4.2Å
34D94.1Very high91.2Very high65 Ų6561.7 Ų61.735%0.34834%0.343SS..  trans-107.9111.5175.1-177.13000109.7L26 E36 Q37L26-D34 HydrophobicContact CD2-CB 4.34Å; D34-E36 PolarHBondContact O-N 2.78Å; D34-E36 WeakPolarHBondContact OD1-CA 3.34Å; D34-E36 PolarHBondContact OD1-N 2.93Å; D34-Q37 HydrophobicContact CB-CB 4.32Å; D34-Q37 WeakPolarHBondContact O-CB 3.35Å; D34-Q37 PolarHBondContact O-N 3.4Å
35P89.1Confident90.9Very high107 Ų10765.8 Ų65.870%0.69536%0.361SS*.THydrogen-bonded Turntrans-63.2-25.6174.3-17.329.4000113.6F33F33-P35 HydrophobicContact CD1-CG 4.12Å; F33-P35 HydrophobicContact CE1-CB 4.09Å; F33-P35 HydrophobicContact CE1-CG 3.81Å
36E89.9Confident90.7Very high176 Ų17668.7 Ų68.782%0.82237%0.374SS*.THydrogen-bonded Turntrans-99.818.2-177.7-58.8-16713900112.2D34 S38D34-E36 PolarHBondContact O-N 2.78Å; D34-E36 WeakPolarHBondContact OD1-CA 3.34Å; D34-E36 PolarHBondContact OD1-N 2.93Å; E36-S38 PolarHBondContact O-N 3.39Å
37Q88Confident90.7Very high73 Ų7370.8 Ų70.834%0.34139%0.387SS..  trans-49.2113.8179.9-178.363.656.600111.2D34D34-Q37 HydrophobicContact CB-CB 4.32Å; D34-Q37 WeakPolarHBondContact O-CB 3.35Å; D34-Q37 PolarHBondContact O-N 3.4Å
38S86.3Confident90.5Very high91 Ų9171.8 Ų71.864%0.63639%0.392SS*.PPolyproline II helixtrans-69.6155.9178.863.80000111.7E36 T40E36-S38 PolarHBondContact O-N 3.39Å; S38-T40 PolarHBondContact O-N 2.76Å
39A86.2Confident90.4Very high55 Ų5575 Ų7546%0.45541%0.413SS..PPolyproline II helixtrans-63.6130.9177.500000110.7I41A39-I41 PolarHBondContact O-N 3.37Å
40T81Confident90.3Very high29 Ų2974 Ų7418%0.17841%0.406CS..PPolyproline II helixtrans-58.4128.1175.1-41.60000110.5S22 S38 D44 D63 A65S22-T40 PolarHBondContact OG-OG1 3.34Å; S38-T40 PolarHBondContact O-N 2.76Å; T40-D44 HydrophobicContact CG2-CB 4.5Å; T40-D63 PolarHBondContact OG1-OD2 2.8Å; T40-A65 WeakPolarHBondContact O-CB 3.36Å
41I80.9Confident90.1Very high142 Ų14272.7 Ų72.773%0.72841%0.412SS*.  trans-99.3115.1172-59.1176.1000107.1A39 V43 F70A39-I41 PolarHBondContact O-N 3.37Å; I41-V43 PolarHBondContact O-N 3.32Å; I41-F70 HydrophobicContact CG2-CE1 4.38Å; I41-F70 HydrophobicContact CG2-CZ 4.31Å
42G79.9Confident89.8Confident21 Ų2169.4 Ų69.422%0.21639%0.394CS..SBendtrans73.7-114.3-177.400000112.6A65G42-A65 WeakPolarHBondContact O-CB 3.24Å; G42-A65 PolarHBondContact O-N 3.23Å
43V85.4Confident89.2Confident38 Ų3873.4 Ų73.423%0.2341%0.409CS..EExtended strand (participates in β ladder)trans-139139.6-177.676.70000110.1I41 W62 D63 T64 Y77I41-V43 PolarHBondContact O-N 3.32Å; V43-W62 HydrophobicContact CG1-CE3 4.04Å; V43-W62 HydrophobicContact CG1-CZ3 4.01Å; V43-W62 HydrophobicContact CG2-CB 4.29Å; V43-W62 HydrophobicContact CG2-CE3 3.72Å; V43-D63 CarbonylContact C-O 3.59Å; V43-D63 VanDerWaalsContact CA-O 3.3Å; V43-D63 WeakPolarHBondContact CA-O 3.45Å; V43-D63 WeakPolarHBondContact CG2-O 3.5Å; V43-T64 HydrophobicContact CG2-CG2 4.26Å; V43-Y77 HydrophobicContact CB-CE1 4.36Å; V43-Y77 HydrophobicContact CB-CE2 4.1Å; V43-Y77 HydrophobicContact CG1-CE1 3.7Å; V43-Y77 HydrophobicContact CG1-CE2 4.11Å; V43-Y77 VanDerWaalsContact CG1-CZ 3.46Å; V43-Y77 VanDerWaalsContact CG1-OH 3.31Å; V43-Y77 WeakPolarHBondContact CG1-OH 3.47Å; V43-Y77 HydrophobicContact CG2-CD1 4.47Å; V43-Y77 HydrophobicContact CG2-CE1 4.41Å; V43-Y77 HydrophobicContact CG2-CE2 4.46Å
44D89.1Confident88.6Confident73 Ų7373.5 Ų73.539%0.3943%0.43SS..EExtended strand (participates in β ladder)trans-106.7149.3167.8-17130.2000110.2T40 D63T40-D44 HydrophobicContact CG2-CB 4.5Å; D44-D63 HydrophobicContact CB-CB 4.34Å; D44-D63 PolarHBondContact N-O 3Å; D44-D63 PolarHBondContact O-N 2.63Å
45F91.5Very high88.2Confident91 Ų9173.6 Ų73.640%0.39943%0.43SS..EExtended strand (participates in β ladder)trans-127.9123.2-176.5177-104.4000110.9V47 A60 I61 W62F45-V47 HydrophobicContact CD1-CG2 4.43Å; F45-V47 HydrophobicContact CE1-CG2 3.42Å; F45-V47 VanDerWaalsContact CE1-CG2 3.42Å; F45-V47 HydrophobicContact CE2-CG2 4.45Å; F45-V47 HydrophobicContact CZ-CG2 3.44Å; F45-V47 VanDerWaalsContact CZ-CG2 3.44Å; F45-A60 HydrophobicContact CE2-CB 3.78Å; F45-A60 HydrophobicContact CZ-CB 3.98Å; F45-I61 WeakPolarHBondContact CA-O 3.47Å; F45-W62 AromaticContact CD2-CD2 3.91Å; F45-W62 HydrophobicContact CD2-CD2 3.91Å; F45-W62 AromaticContact CD2-CE2 3.71Å; F45-W62 HydrophobicContact CD2-CE3 4.36Å; F45-W62 HydrophobicContact CD2-CG 4.27Å; F45-W62 HydrophobicContact CD2-CH2 4.5Å; F45-W62 HydrophobicContact CD2-CZ2 4.04Å; F45-W62 AromaticContact CD2-NE1 3.87Å; F45-W62 AromaticContact CE2-CE2 3.97Å; F45-W62 HydrophobicContact CE2-CZ2 4.25Å; F45-W62 AromaticContact CE2-NE1 3.8Å
46K94.1Very high88.4Confident65 Ų6572.5 Ų72.528%0.28341%0.414SS..EExtended strand (participates in β ladder)trans-126.6149.2176.5-65.7-75.3-177.3162.10111L25 T29 E30 I61L25-K46 HydrophobicContact CD1-CB 4.24Å; L25-K46 HydrophobicContact CD2-CB 4.13Å; L25-K46 HydrophobicContact CD2-CG 3.82Å; L25-K46 HydrophobicContact CG-CB 4.4Å; L25-K46 HydrophobicContact CG-CG 4.17Å; T29-K46 HydrophobicContact CG2-CB 4.14Å; E30-K46 IonicContact OE1-NZ 3.07Å; E30-K46 PolarHBondContact OE1-NZ 3.44Å; K46-I61 PolarHBondContact N-O 2.8Å; K46-I61 PolarHBondContact O-N 3.33Å
47V95.1Very high88.5Confident71 Ų7164.2 Ų64.243%0.4338%0.376SS..EExtended strand (participates in β ladder)trans-119.6131.1174.81770000109.6F45 K58 L59F45-V47 HydrophobicContact CD1-CG2 4.43Å; F45-V47 HydrophobicContact CE1-CG2 3.42Å; F45-V47 VanDerWaalsContact CE1-CG2 3.42Å; F45-V47 HydrophobicContact CE2-CG2 4.45Å; F45-V47 HydrophobicContact CZ-CG2 3.44Å; F45-V47 VanDerWaalsContact CZ-CG2 3.44Å; V47-K58 HydrophobicContact CG1-CD 4.2Å; V47-K58 HydrophobicContact CG1-CG 3.78Å; V47-L59 VanDerWaalsContact CA-O 3.23Å; V47-L59 WeakPolarHBondContact CA-O 3.4Å
48K94.9Very high88.9Confident47 Ų4764.3 Ų64.320%0.20438%0.375CS..EExtended strand (participates in β ladder)trans-141.7135.2172.5177.4165169.4-161.60110.1F28 T29 L50 L59F28-K48 HydrophobicContact CD1-CD 4.01Å; F28-K48 HydrophobicContact CE1-CB 4.22Å; F28-K48 HydrophobicContact CE1-CD 3.57Å; F28-K48 HydrophobicContact CE1-CG 4.19Å; F28-K48 HydrophobicContact CE2-CD 4.29Å; F28-K48 HydrophobicContact CZ-CD 3.71Å; F28-K48 HydrophobicContact CZ-CG 4.35Å; F28-K48 PolarHBondContact O-NZ 3.34Å; T29-K48 HydrophobicContact CG2-CB 4.33Å; T29-K48 HydrophobicContact CG2-CD 4.39Å; K48-L50 HydrophobicContact CG-CD2 4.5Å; K48-L59 PolarHBondContact N-O 2.73Å; K48-L59 VanDerWaalsContact N-O 3.08Å; K48-L59 WeakPolarHBondContact O-CA 3.49Å; K48-L59 VanDerWaalsContact O-CB 3.25Å; K48-L59 WeakPolarHBondContact O-CB 3.28Å; K48-L59 WeakPolarHBondContact O-CG 3.25Å; K48-L59 PolarHBondContact O-N 3.33Å
49T94.8Very high89.4Confident75 Ų7560 Ų6046%0.4635%0.345SS..EExtended strand (participates in β ladder)trans-91.7130.1173.2-55.80000109.3K56 A57T49-K56 HydrophobicContact CG2-CB 4.28Å; T49-A57 WeakPolarHBondContact CA-O 3.24Å
50L93.2Very high89.9Confident13 Ų1358 Ų587%0.06833%0.329CS..EExtended strand (participates in β ladder)trans-113.1150.2171.1-71.5-169.6000110.1F28 K48 I52 K56 A57 L59 E163 V166F28-L50 HydrophobicContact CE2-CD1 4.17Å; F28-L50 HydrophobicContact CE2-CD2 4.04Å; F28-L50 HydrophobicContact CZ-CD1 3.76Å; F28-L50 HydrophobicContact CZ-CD2 3.78Å; F28-L50 HydrophobicContact CZ-CG 3.91Å; K48-L50 HydrophobicContact CG-CD2 4.5Å; L50-I52 HydrophobicContact CD1-CD1 4.22Å; L50-K56 CarbonylContact O-C 3.59Å; L50-K56 VanDerWaalsContact O-CA 3.27Å; L50-K56 WeakPolarHBondContact O-CA 3.33Å; L50-A57 PolarHBondContact N-O 3.02Å; L50-A57 PolarHBondContact O-N 2.88Å; L50-L59 HydrophobicContact CD1-CD1 3.67Å; L50-L59 HydrophobicContact CG-CD1 3.78Å; L50-L59 HydrophobicContact CG-CG 4.43Å; L50-E163 HydrophobicContact CD1-CG 4.18Å; L50-V166 HydrophobicContact CD1-CG2 4.46Å
51A91.8Very high90.6Very high72 Ų7256.7 Ų56.760%0.59532%0.32SS*.EExtended strand (participates in β ladder)trans-113.3116.3168.700000108.7N55 K56A51-N55 CarbonylContact C-O 3.47Å; A51-N55 WeakPolarHBondContact CA-O 3.23Å; A51-K56 HydrophobicContact CB-CG 4.16Å
52I87.9Confident91.2Very high19 Ų1952.9 Ų52.910%0.09730%0.297CS..EExtended strand (participates in β ladder)trans-125.6124.3179.5-68.8166.3000107.5L50 G54 N55 E163 V166 E167L50-I52 HydrophobicContact CD1-CD1 4.22Å; I52-G54 PolarHBondContact O-N 3.02Å; I52-G54 VanDerWaalsContact O-N 3.12Å; I52-N55 PolarHBondContact N-O 3.47Å; I52-N55 WeakPolarHBondContact O-CB 3.26Å; I52-N55 PolarHBondContact O-N 3.19Å; I52-E163 HydrophobicContact CD1-CB 4.38Å; I52-E163 HydrophobicContact CD1-CG 4.43Å; I52-V166 HydrophobicContact CD1-CB 3.61Å; I52-V166 HydrophobicContact CD1-CG1 3.49Å; I52-V166 VanDerWaalsContact CD1-CG1 3.49Å; I52-E167 HydrophobicContact CG2-CB 4.09Å; I52-E167 HydrophobicContact CG2-CG 4.12Å
53E83.6Confident91.8Very high148 Ų14852 Ų5269%0.69229%0.287SS*.THydrogen-bonded Turntrans52.534.2-179-57.4-172.6142.300114.2N55E53-N55 VanDerWaalsContact C-N 3.25Å; E53-N55 PolarHBondContact O-N 2.74Å
54G83.3Confident91.9Very high73 Ų7350.4 Ų50.475%0.75328%0.277SS*.THydrogen-bonded Turntrans82.7-8.5-177.400000114.9I52I52-G54 PolarHBondContact O-N 3.02Å; I52-G54 VanDerWaalsContact O-N 3.12Å
55N87.2Confident91.6Very high66 Ų6647.2 Ų47.235%0.35326%0.261SS..EExtended strand (participates in β ladder)trans-89.6123.1174.3-62.7-52.6000110.5L6 A51 I52 E53L6-N55 HydrophobicContact CD2-CB 3.75Å; A51-N55 CarbonylContact C-O 3.47Å; A51-N55 WeakPolarHBondContact CA-O 3.23Å; I52-N55 PolarHBondContact N-O 3.47Å; I52-N55 WeakPolarHBondContact O-CB 3.26Å; I52-N55 PolarHBondContact O-N 3.19Å; E53-N55 VanDerWaalsContact C-N 3.25Å; E53-N55 PolarHBondContact O-N 2.74Å
56K92Very high90.7Very high85 Ų8543.1 Ų43.137%0.3725%0.245SC..EExtended strand (participates in β ladder)trans-88.1118.6172.5-58.6172.7-173.11620109.7D4 V5 L6 T49 L50 A51D4-K56 HydrophobicContact CB-CD 3.83Å; D4-K56 WeakPolarHBondContact O-CB 3.32Å; D4-K56 IonicContact OD2-NZ 2.88Å; D4-K56 PolarHBondContact OD2-NZ 3.22Å; V5-K56 CarbonylContact C-O 3.47Å; V5-K56 WeakPolarHBondContact CA-O 3.21Å; L6-K56 PolarHBondContact N-O 2.97Å; T49-K56 HydrophobicContact CG2-CB 4.28Å; L50-K56 CarbonylContact O-C 3.59Å; L50-K56 VanDerWaalsContact O-CA 3.27Å; L50-K56 WeakPolarHBondContact O-CA 3.33Å; A51-K56 HydrophobicContact CB-CG 4.16Å
57A93.1Very high89.5Confident1 Ų142.5 Ų42.51%0.00824%0.243CC..EExtended strand (participates in β ladder)trans-111.8132.3174.700000110.3L9 T49 L50 L59 V166L9-A57 HydrophobicContact CD1-CB 4.2Å; T49-A57 WeakPolarHBondContact CA-O 3.24Å; L50-A57 PolarHBondContact N-O 3.02Å; L50-A57 PolarHBondContact O-N 2.88Å; A57-L59 HydrophobicContact CB-CD2 4.48Å; A57-V166 HydrophobicContact CB-CG1 4.27Å
58K95.8Very high88Confident76 Ų7646.1 Ų46.133%0.3326%0.255SS..EExtended strand (participates in β ladder)trans-88119.9173.4-176.3178.4-175.31770108.9V5 T7 T8 L9 V47V5-K58 HydrophobicContact CG1-CB 3.85Å; T7-K58 PolarHBondContact O-N 3.07Å; T8-K58 CarbonylContact C-O 3.55Å; T8-K58 WeakPolarHBondContact CA-O 3.46Å; T8-K58 HydrophobicContact CG2-CB 4.39Å; T8-K58 HydrophobicContact CG2-CD 4.49Å; T8-K58 HydrophobicContact CG2-CG 4.39Å; L9-K58 PolarHBondContact N-O 2.8Å; V47-K58 HydrophobicContact CG1-CD 4.2Å; V47-K58 HydrophobicContact CG1-CG 3.78Å
59L96.6Very high86.3Confident0 Ų052.7 Ų52.70%028%0.279CS..EExtended strand (participates in β ladder)trans-94127178.9-48.7-176.9000109.5L9 L11 F28 V47 K48 L50 A57 I61 V166L9-L59 HydrophobicContact CB-CD2 4.05Å; L9-L59 HydrophobicContact CD1-CD2 4.14Å; L9-L59 HydrophobicContact CG-CD2 4.49Å; L9-L59 WeakPolarHBondContact O-CA 3.24Å; L11-L59 HydrophobicContact CD1-CB 4.39Å; L11-L59 HydrophobicContact CD1-CD1 4.08Å; L11-L59 HydrophobicContact CD1-CD2 4.26Å; L11-L59 HydrophobicContact CD1-CG 4.48Å; F28-L59 HydrophobicContact CE1-CD1 4.02Å; F28-L59 HydrophobicContact CZ-CD1 3.92Å; V47-L59 VanDerWaalsContact CA-O 3.23Å; V47-L59 WeakPolarHBondContact CA-O 3.4Å; K48-L59 PolarHBondContact N-O 2.73Å; K48-L59 VanDerWaalsContact N-O 3.08Å; K48-L59 WeakPolarHBondContact O-CA 3.49Å; K48-L59 VanDerWaalsContact O-CB 3.25Å; K48-L59 WeakPolarHBondContact O-CB 3.28Å; K48-L59 WeakPolarHBondContact O-CG 3.25Å; K48-L59 PolarHBondContact O-N 3.33Å; L50-L59 HydrophobicContact CD1-CD1 3.67Å; L50-L59 HydrophobicContact CG-CD1 3.78Å; L50-L59 HydrophobicContact CG-CG 4.43Å; A57-L59 HydrophobicContact CB-CD2 4.48Å; L59-I61 HydrophobicContact CB-CD1 4.03Å; L59-I61 HydrophobicContact CB-CG1 3.86Å; L59-I61 HydrophobicContact CD1-CD1 4.38Å; L59-V166 HydrophobicContact CD1-CG2 3.9Å; L59-V166 HydrophobicContact CD2-CG1 4.24Å; L59-V166 HydrophobicContact CD2-CG2 3.48Å; L59-V166 VanDerWaalsContact CD2-CG2 3.48Å; L59-V166 HydrophobicContact CG-CG2 4.34Å
60A96.3Very high84.7Confident14 Ų1452 Ų5212%0.11627%0.269CS..EExtended strand (participates in β ladder)trans-10896.9172.900000107.5T8 L9 K10 L11 F45T8-A60 HydrophobicContact CG2-CB 4.13Å; L9-A60 PolarHBondContact O-N 3.13Å; K10-A60 WeakPolarHBondContact CA-O 3.41Å; L11-A60 PolarHBondContact N-O 3.27Å; F45-A60 HydrophobicContact CE2-CB 3.78Å; F45-A60 HydrophobicContact CZ-CB 3.98Å
61I96.2Very high83.2Confident0 Ų053.7 Ų53.70%028%0.275CS..EExtended strand (participates in β ladder)trans-105.6124.3-165.5-46.7171.8000110L11 I13 L25 F28 F45 K46 L59 F162L11-I61 HydrophobicContact CB-CG1 4.29Å; L11-I61 HydrophobicContact CB-CG2 4.3Å; L11-I61 HydrophobicContact CD1-CG1 4.34Å; L11-I61 WeakPolarHBondContact O-CA 3.35Å; I13-I61 HydrophobicContact CD1-CG2 3.77Å; I13-I61 HydrophobicContact CG1-CG2 3.92Å; L25-I61 HydrophobicContact CD1-CB 4Å; L25-I61 HydrophobicContact CD1-CD1 3.8Å; L25-I61 HydrophobicContact CD1-CG2 3.71Å; L25-I61 HydrophobicContact CD2-CG2 4.44Å; F28-I61 HydrophobicContact CD1-CD1 4.01Å; F28-I61 HydrophobicContact CE1-CD1 3.72Å; F45-I61 WeakPolarHBondContact CA-O 3.47Å; K46-I61 PolarHBondContact N-O 2.8Å; K46-I61 PolarHBondContact O-N 3.33Å; L59-I61 HydrophobicContact CB-CD1 4.03Å; L59-I61 HydrophobicContact CB-CG1 3.86Å; L59-I61 HydrophobicContact CD1-CD1 4.38Å; I61-F162 HydrophobicContact CD1-CD1 4.35Å; I61-F162 HydrophobicContact CD1-CE1 4.06Å; I61-F162 HydrophobicContact CG2-CE1 4.48Å
62W93.9Very high81.5Confident63 Ų6356.4 Ų56.424%0.23928%0.284CS..EExtended strand (participates in β ladder)trans-104.8111.3178.7-64.181000109.8L11 L12 I13 V43 F45 Y77L11-W62 PolarHBondContact O-N 3.18Å; L12-W62 HydrophobicContact CD1-CB 3.68Å; I13-W62 PolarHBondContact N-O 2.77Å; V43-W62 HydrophobicContact CG1-CE3 4.04Å; V43-W62 HydrophobicContact CG1-CZ3 4.01Å; V43-W62 HydrophobicContact CG2-CB 4.29Å; V43-W62 HydrophobicContact CG2-CE3 3.72Å; F45-W62 AromaticContact CD2-CD2 3.91Å; F45-W62 HydrophobicContact CD2-CD2 3.91Å; F45-W62 AromaticContact CD2-CE2 3.71Å; F45-W62 HydrophobicContact CD2-CE3 4.36Å; F45-W62 HydrophobicContact CD2-CG 4.27Å; F45-W62 HydrophobicContact CD2-CH2 4.5Å; F45-W62 HydrophobicContact CD2-CZ2 4.04Å; F45-W62 AromaticContact CD2-NE1 3.87Å; F45-W62 AromaticContact CE2-CE2 3.97Å; F45-W62 HydrophobicContact CE2-CZ2 4.25Å; F45-W62 AromaticContact CE2-NE1 3.8Å; W62-Y77 HydrophobicContact CD2-CD1 4.17Å; W62-Y77 AromaticContact CE3-CD1 3.52Å; W62-Y77 HydrophobicContact CE3-CD1 3.52Å; W62-Y77 AromaticContact CE3-CE1 3.72Å; W62-Y77 HydrophobicContact CE3-CE1 3.72Å; W62-Y77 HydrophobicContact CE3-CG 4.49Å; W62-Y77 HydrophobicContact CH2-CD1 4.3Å; W62-Y77 HydrophobicContact CH2-CE1 4.19Å; W62-Y77 AromaticContact CZ3-CD1 3.6Å; W62-Y77 HydrophobicContact CZ3-CD1 3.6Å; W62-Y77 AromaticContact CZ3-CE1 3.39Å; W62-Y77 HydrophobicContact CZ3-CE1 3.39Å
63D92.1Very high80Confident1 Ų160.5 Ų60.51%0.00531%0.306CS..EExtended strand (participates in β ladder)trans-91.1117.2171.8176.243.1000110K21 S22 L25 T40 V43 D44K21-D63 WeakPolarHBondContact CB-OD1 3.23Å; S22-D63 WeakPolarHBondContact CA-OD2 3.33Å; S22-D63 VanDerWaalsContact CB-OD2 3.27Å; S22-D63 WeakPolarHBondContact CB-OD2 3.33Å; S22-D63 PolarHBondContact OG-OD2 3.16Å; L25-D63 HydrophobicContact CD2-CB 3.65Å; T40-D63 PolarHBondContact OG1-OD2 2.8Å; V43-D63 CarbonylContact C-O 3.59Å; V43-D63 VanDerWaalsContact CA-O 3.3Å; V43-D63 WeakPolarHBondContact CA-O 3.45Å; V43-D63 WeakPolarHBondContact CG2-O 3.5Å; D44-D63 HydrophobicContact CB-CB 4.34Å; D44-D63 PolarHBondContact N-O 3Å; D44-D63 PolarHBondContact O-N 2.63Å
64T87.1Confident78.9Confident5 Ų553.9 Ų53.93%0.03128%0.276CS..EExtended strand (participates in β ladder)trans-95.9146.8-175.462.90000112.6L12 I13 I14 K21 V43 G66L12-T64 HydrophobicContact CD1-CG2 3.49Å; L12-T64 VanDerWaalsContact CD1-CG2 3.49Å; L12-T64 HydrophobicContact CG-CG2 4.35Å; I13-T64 PolarHBondContact O-N 3.15Å; I13-T64 PolarHBondContact O-OG1 3.18Å; I14-T64 HydrophobicContact CG2-CG2 4.46Å; K21-T64 WeakPolarHBondContact CE-O 3.38Å; K21-T64 PolarHBondContact NZ-O 3.27Å; V43-T64 HydrophobicContact CG2-CG2 4.26Å; T64-G66 PolarHBondContact O-N 2.8Å
65A83.1Confident78.5Confident7 Ų753 Ų536%0.05826%0.257CS..PPolyproline II helixtrans-62.3129.2168.100000110.8T40 G42 Q67 F70T40-A65 WeakPolarHBondContact O-CB 3.36Å; G42-A65 WeakPolarHBondContact O-CB 3.24Å; G42-A65 PolarHBondContact O-N 3.23Å; A65-Q67 VanDerWaalsContact C-N 3.29Å; A65-Q67 PolarHBondContact O-N 3.47Å; A65-F70 HydrophobicContact CB-CB 3.84Å; A65-F70 HydrophobicContact CB-CD2 3.9Å; A65-F70 HydrophobicContact CB-CG 4.23Å
66G72.1Confident78Confident5 Ų553.5 Ų53.55%0.05227%0.265CS..  trans-82.2-3.8178.700000114.6G15 S17 T64G15-G66 VanDerWaalsContact O-CA 3.26Å; G15-G66 WeakPolarHBondContact O-CA 3.49Å; S17-G66 PolarHBondContact N-O 2.8Å; T64-G66 PolarHBondContact O-N 2.8Å
67Q70.4Confident77.7Confident52 Ų5252 Ų5224%0.24326%0.258CS..SBendtrans-83.3131.5178.4-68.7-170.526.100110.8A65 R69 F70A65-Q67 VanDerWaalsContact C-N 3.29Å; A65-Q67 PolarHBondContact O-N 3.47Å; Q67-R69 PolarHBondContact O-N 2.82Å; Q67-R69 VanDerWaalsContact O-N 3.14Å; Q67-F70 HydrophobicContact CB-CD2 3.96Å; Q67-F70 HydrophobicContact CB-CE2 4.41Å; Q67-F70 PolarHBondContact O-N 3.08Å
68E62.2Low77.4Confident146 Ų14652 Ų5268%0.68226%0.257SS*.G310 helixtrans-51.3-35.7176.666.6-162.8169.200113.9F70 R71E68-F70 PolarHBondContact O-N 3Å; E68-F70 VanDerWaalsContact O-N 3.07Å; E68-R71 WeakPolarHBondContact O-CB 3.2Å; E68-R71 PolarHBondContact O-N 3.38Å
69R60.5Low76.9Confident185 Ų18556.3 Ų56.370%0.69827%0.272SS*.G310 helixtrans-59.7-22.4178.3-66.3-173.8-66-172.1-1.5113.8Q67Q67-R69 PolarHBondContact O-N 2.82Å; Q67-R69 VanDerWaalsContact O-N 3.14Å
70F61.6Low76.5Confident61 Ų6157.8 Ų57.827%0.26829%0.287SS..G310 helixtrans-103.6-3.1178.1-57.8-57.8000113I41 A65 Q67 E68 T72 L73I41-F70 HydrophobicContact CG2-CE1 4.38Å; I41-F70 HydrophobicContact CG2-CZ 4.31Å; A65-F70 HydrophobicContact CB-CB 3.84Å; A65-F70 HydrophobicContact CB-CD2 3.9Å; A65-F70 HydrophobicContact CB-CG 4.23Å; Q67-F70 HydrophobicContact CB-CD2 3.96Å; Q67-F70 HydrophobicContact CB-CE2 4.41Å; Q67-F70 PolarHBondContact O-N 3.08Å; E68-F70 PolarHBondContact O-N 3Å; E68-F70 VanDerWaalsContact O-N 3.07Å; F70-T72 VanDerWaalsContact C-N 3.26Å; F70-T72 PolarHBondContact O-N 2.84Å; F70-L73 PolarHBondContact O-N 2.91Å
71R61Low76.3Confident48 Ų4857.1 Ų57.118%0.18128%0.281CS..G310 helixtrans-69.3-17.4-179.1-69.9-175-162.2-164.27.9114.2E16 E68 L73 T74 W102 E105E16-R71 IonicContact OE1-CZ 3.69Å; E16-R71 IonicContact OE1-NH2 3.59Å; E16-R71 PolarHBondContact OE1-NH2 2.9Å; E68-R71 WeakPolarHBondContact O-CB 3.2Å; E68-R71 PolarHBondContact O-N 3.38Å; R71-L73 PolarHBondContact O-N 2.59Å; R71-T74 VanDerWaalsContact CA-OG1 3.27Å; R71-T74 WeakPolarHBondContact CA-OG1 3.35Å; R71-T74 WeakPolarHBondContact O-CB 3.43Å; R71-T74 PolarHBondContact O-N 3.34Å; R71-T74 PolarHBondContact O-OG1 2.84Å; R71-W102 HydrophobicContact CG-CH2 4.36Å; R71-E105 IonicContact NH1-OE2 2.84Å
72T55.3Low76.3Confident129 Ų12957.6 Ų57.679%0.79128%0.283SS*.G310 helixtrans-67.6-18.2177-43.90000113F70 T74F70-T72 VanDerWaalsContact C-N 3.26Å; F70-T72 PolarHBondContact O-N 2.84Å; T72-T74 VanDerWaalsContact C-N 3.32Å; T72-T74 PolarHBondContact O-N 3.4Å
73L56.7Low76.4Confident106 Ų10654.6 Ų54.656%0.55527%0.272SS*.G310 helixtrans-85.92.6-179.4-72.6157.5000113.7F70 R71 Y77F70-L73 PolarHBondContact O-N 2.91Å; R71-L73 PolarHBondContact O-N 2.59Å; L73-Y77 VanDerWaalsContact O-CE2 3.26Å; L73-Y77 WeakPolarHBondContact O-CE2 3.5Å
74T61.3Low76.6Confident9 Ų954.5 Ų54.56%0.05527%0.272CS..  trans-95.8-24.2-154.5-33.50000118.6R71 T72 S76 Y77 Y78R71-T74 VanDerWaalsContact CA-OG1 3.27Å; R71-T74 WeakPolarHBondContact CA-OG1 3.35Å; R71-T74 WeakPolarHBondContact O-CB 3.43Å; R71-T74 PolarHBondContact O-N 3.34Å; R71-T74 PolarHBondContact O-OG1 2.84Å; T72-T74 VanDerWaalsContact C-N 3.32Å; T72-T74 PolarHBondContact O-N 3.4Å; T74-S76 PolarHBondContact O-N 3.32Å; T74-Y77 HydrophobicContact CG2-CD2 4.09Å; T74-Y77 PolarHBondContact O-N 3.38Å; T74-Y78 HydrophobicContact CG2-CD2 3.9Å; T74-Y78 HydrophobicContact CG2-CE2 3.25Å; T74-Y78 WeakPolarHBondContact O-CD2 3.4Å
75P73.4Confident77.1Confident55 Ų5554.4 Ų54.436%0.35727%0.271SS..Hα-helixtrans-56.2-33.2-171.6-29.235.5000115Y77 Y109P75-Y77 VanDerWaalsContact C-N 3.33Å; P75-Y77 PolarHBondContact O-N 2.95Å; P75-Y109 HydrophobicContact CB-CD1 3.81Å; P75-Y109 HydrophobicContact CB-CE1 4.14Å; P75-Y109 HydrophobicContact CB-CG 4.18Å; P75-Y109 HydrophobicContact CG-CD1 4.02Å; P75-Y109 HydrophobicContact CG-CE1 3.84Å; P75-Y109 HydrophobicContact CG-CE2 4.48Å; P75-Y109 HydrophobicContact CG-CG 4.43Å
76S78.3Confident77.8Confident76 Ų7654.1 Ų54.153%0.53127%0.268SS..Hα-helixtrans-68.5-27.417856.70000113.5T74T74-S76 PolarHBondContact O-N 3.32Å
77Y84.6Confident79.1Confident53 Ų5353.9 Ų53.921%0.20827%0.266CS..Hα-helixtrans-75.2-35.3-179.8-57.8-53.3000112K10 V43 W62 L73 T74 P75 R79K10-Y77 WeakPolarHBondContact CE-O 3.27Å; K10-Y77 PolarHBondContact NZ-O 2.84Å; V43-Y77 HydrophobicContact CB-CE1 4.36Å; V43-Y77 HydrophobicContact CB-CE2 4.1Å; V43-Y77 HydrophobicContact CG1-CE1 3.7Å; V43-Y77 HydrophobicContact CG1-CE2 4.11Å; V43-Y77 VanDerWaalsContact CG1-CZ 3.46Å; V43-Y77 VanDerWaalsContact CG1-OH 3.31Å; V43-Y77 WeakPolarHBondContact CG1-OH 3.47Å; V43-Y77 HydrophobicContact CG2-CD1 4.47Å; V43-Y77 HydrophobicContact CG2-CE1 4.41Å; V43-Y77 HydrophobicContact CG2-CE2 4.46Å; W62-Y77 HydrophobicContact CD2-CD1 4.17Å; W62-Y77 AromaticContact CE3-CD1 3.52Å; W62-Y77 HydrophobicContact CE3-CD1 3.52Å; W62-Y77 AromaticContact CE3-CE1 3.72Å; W62-Y77 HydrophobicContact CE3-CE1 3.72Å; W62-Y77 HydrophobicContact CE3-CG 4.49Å; W62-Y77 HydrophobicContact CH2-CD1 4.3Å; W62-Y77 HydrophobicContact CH2-CE1 4.19Å; W62-Y77 AromaticContact CZ3-CD1 3.6Å; W62-Y77 HydrophobicContact CZ3-CD1 3.6Å; W62-Y77 AromaticContact CZ3-CE1 3.39Å; W62-Y77 HydrophobicContact CZ3-CE1 3.39Å; L73-Y77 VanDerWaalsContact O-CE2 3.26Å; L73-Y77 WeakPolarHBondContact O-CE2 3.5Å; T74-Y77 HydrophobicContact CG2-CD2 4.09Å; T74-Y77 PolarHBondContact O-N 3.38Å; P75-Y77 VanDerWaalsContact C-N 3.33Å; P75-Y77 PolarHBondContact O-N 2.95Å; Y77-R79 VanDerWaalsContact C-N 3.34Å; Y77-R79 PolarHBondContact O-N 2.91Å
78Y87Confident80.4Confident0 Ų051.4 Ų51.40%025%0.254CS..Hα-helixtrans-66.3-33.8175-67.6-75.7000113L12 I14 T74 G80 A81 E105 L106 Y109L12-Y78 HydrophobicContact CD2-CD1 3.36Å; L12-Y78 HydrophobicContact CD2-CE1 3.48Å; L12-Y78 VanDerWaalsContact CD2-CE1 3.48Å; L12-Y78 HydrophobicContact CD2-CG 4.1Å; I14-Y78 HydrophobicContact CD1-CE1 4.32Å; I14-Y78 HydrophobicContact CG2-CE1 4.13Å; T74-Y78 HydrophobicContact CG2-CD2 3.9Å; T74-Y78 HydrophobicContact CG2-CE2 3.25Å; T74-Y78 WeakPolarHBondContact O-CD2 3.4Å; Y78-G80 PolarHBondContact O-N 3.4Å; Y78-A81 WeakPolarHBondContact O-CB 3.15Å; Y78-A81 PolarHBondContact O-N 2.84Å; Y78-A81 VanDerWaalsContact O-N 3.16Å; Y78-E105 HydrophobicContact CE2-CG 4.09Å; Y78-E105 VanDerWaalsContact CE2-OE1 3.3Å; Y78-E105 WeakPolarHBondContact CE2-OE1 3.3Å; Y78-E105 VanDerWaalsContact OH-CD 3.24Å; Y78-E105 PolarHBondContact OH-OE1 3.33Å; Y78-L106 HydrophobicContact CD1-CD1 3.62Å; Y78-L106 HydrophobicContact CE1-CB 4.26Å; Y78-L106 HydrophobicContact CE1-CD1 4.01Å; Y78-Y109 AromaticContact CD2-CD2 3.95Å; Y78-Y109 HydrophobicContact CD2-CD2 3.95Å; Y78-Y109 HydrophobicContact CD2-CG 4.22Å; Y78-Y109 HydrophobicContact CE2-CD2 4.03Å
79R86.3Confident82.2Confident168 Ų16844.5 Ų44.563%0.63422%0.222SC*.THydrogen-bonded Turntrans-59124.9-178.4-177.5173.7-178.4106.90.5111.6K10 Y77 A81 T111K10-R79 PolarHBondContact NZ-O 3.1Å; Y77-R79 VanDerWaalsContact C-N 3.34Å; Y77-R79 PolarHBondContact O-N 2.91Å; R79-A81 PolarHBondContact O-N 3.34Å; R79-T111 HydrophobicContact CB-CG2 4.45Å; R79-T111 HydrophobicContact CG-CG2 3.83Å
80G87.3Confident84Confident31 Ų3135.7 Ų35.732%0.3219%0.189SC..THydrogen-bonded Turntrans71.110.5177.600000115Y78 Q82 T111Y78-G80 PolarHBondContact O-N 3.4Å; G80-Q82 PolarHBondContact O-N 3.15Å; G80-T111 PolarHBondContact N-OG1 3.26Å
81A92.8Very high85.7Confident0 Ų033 Ų330%018%0.178CC..  trans-62.8134.2168.200000109.6L12 Y78 R79 V84 I115L12-A81 HydrophobicContact CB-CB 4.39Å; Y78-A81 WeakPolarHBondContact O-CB 3.15Å; Y78-A81 PolarHBondContact O-N 2.84Å; Y78-A81 VanDerWaalsContact O-N 3.16Å; R79-A81 PolarHBondContact O-N 3.34Å; A81-V84 HydrophobicContact CB-CG2 4.33Å; A81-I115 WeakPolarHBondContact O-CG1 3.4Å
82Q95.3Very high87.5Confident9 Ų933.9 Ų33.94%0.04218%0.181CC..SBendtrans-100-31.5178.1-70.1147-61.800110.5K10 G80 V116 I169 L175K10-Q82 PolarHBondContact O-N 2.9Å; G80-Q82 PolarHBondContact O-N 3.15Å; Q82-V116 PolarHBondContact O-N 3.01Å; Q82-V116 VanDerWaalsContact O-N 3.1Å; Q82-I169 HydrophobicContact CB-CG2 4.47Å; Q82-L175 HydrophobicContact CB-CD2 3.93Å; Q82-L175 HydrophobicContact CB-CG 4.14Å; Q82-L175 HydrophobicContact CG-CG 4.21Å; Q82-L175 WeakPolarHBondContact CG-O 3.32Å; Q82-L175 PolarHBondContact NE2-O 3.25Å; Q82-L175 VanDerWaalsContact NE2-O 3.07Å; Q82-L175 VanDerWaalsContact O-CD2 3.24Å; Q82-L175 WeakPolarHBondContact O-CD2 3.36Å
83G96.2Very high89.5Confident0 Ų032.4 Ų32.40%016%0.161CC..EExtended strand (participates in β ladder)trans-131.3146.3172.800000112.3K10 L11 L12 V116K10-G83 PolarHBondContact O-N 3.21Å; L11-G83 WeakPolarHBondContact CA-O 3.19Å; L12-G83 PolarHBondContact N-O 3Å; G83-V116 CarbonylContact C-O 3.59Å; G83-V116 VanDerWaalsContact CA-O 3.32Å; G83-V116 WeakPolarHBondContact CA-O 3.32Å
84V96.8Very high91.5Very high0 Ų030.9 Ų30.90%015%0.153CC..EExtended strand (participates in β ladder)trans-130.8131175.4-179.70000109.9L12 I14 A81 L86 L106 I115 V116 M118L12-V84 HydrophobicContact CB-CG2 4.26Å; L12-V84 CarbonylContact O-C 3.55Å; L12-V84 WeakPolarHBondContact O-CA 3.38Å; I14-V84 HydrophobicContact CD1-CG1 3.75Å; I14-V84 HydrophobicContact CG1-CG1 3.89Å; A81-V84 HydrophobicContact CB-CG2 4.33Å; V84-L86 HydrophobicContact CG1-CD1 3.93Å; V84-L86 HydrophobicContact CG1-CG 4.36Å; V84-L106 HydrophobicContact CB-CD2 4.21Å; V84-L106 HydrophobicContact CG1-CD1 4.44Å; V84-L106 HydrophobicContact CG1-CD2 4.09Å; V84-L106 HydrophobicContact CG2-CD1 3.68Å; V84-L106 HydrophobicContact CG2-CD2 4.16Å; V84-I115 HydrophobicContact CB-CG2 4.33Å; V84-I115 HydrophobicContact CG2-CG2 3.63Å; V84-V116 PolarHBondContact N-O 2.81Å; V84-M118 PolarHBondContact O-N 3.41Å
85I98.3Very high93.2Very high3 Ų330.4 Ų30.42%0.01515%0.15CC..EExtended strand (participates in β ladder)trans-104.7113.2172.8-57176.3000108L12 I13 I14 V87 M118 V120 F162 L165L12-I85 PolarHBondContact O-N 3.35Å; I13-I85 WeakPolarHBondContact CA-O 3.32Å; I13-I85 HydrophobicContact CG1-CB 4.41Å; I13-I85 HydrophobicContact CG1-CD1 4.46Å; I13-I85 HydrophobicContact CG2-CB 4.28Å; I13-I85 HydrophobicContact CG2-CG2 4.42Å; I14-I85 PolarHBondContact N-O 3.46Å; I85-V87 HydrophobicContact CG2-CG2 3.82Å; I85-M118 CarbonylContact C-O 3.56Å; I85-M118 WeakPolarHBondContact CA-O 3.28Å; I85-M118 HydrophobicContact CG1-CB 4.34Å; I85-V120 HydrophobicContact CG2-CB 4.33Å; I85-V120 HydrophobicContact CG2-CG2 3.6Å; I85-F162 HydrophobicContact CD1-CD1 3.7Å; I85-F162 HydrophobicContact CD1-CE1 3.41Å; I85-F162 VanDerWaalsContact CD1-CE1 3.41Å; I85-F162 HydrophobicContact CD1-CE2 4.38Å; I85-F162 HydrophobicContact CD1-CG 4.31Å; I85-F162 HydrophobicContact CD1-CZ 3.79Å; I85-L165 HydrophobicContact CD1-CD2 3.92Å; I85-L165 HydrophobicContact CG1-CD2 3.44Å; I85-L165 VanDerWaalsContact CG1-CD2 3.44Å
86L97.8Very high94.4Very high0 Ų028.4 Ų28.40%014%0.136CC..EExtended strand (participates in β ladder)trans-93.2121.4172.5-6693.6000108.8I14 V84 L99 W102 L103 K117 M118 L119 V120 M145I14-L86 HydrophobicContact CD1-CD2 4.14Å; I14-L86 HydrophobicContact CD1-CG 3.96Å; I14-L86 HydrophobicContact CG1-CD2 4.42Å; I14-L86 HydrophobicContact CG1-CG 3.86Å; V84-L86 HydrophobicContact CG1-CD1 3.93Å; V84-L86 HydrophobicContact CG1-CG 4.36Å; L86-L99 HydrophobicContact CB-CD2 4.09Å; L86-L99 HydrophobicContact CD2-CD2 4.4Å; L86-W102 HydrophobicContact CD2-CB 4.38Å; L86-L103 HydrophobicContact CD2-CD2 3.91Å; L86-L103 HydrophobicContact CD2-CG 3.84Å; L86-K117 HydrophobicContact CD1-CB 4.37Å; L86-M118 PolarHBondContact N-O 2.83Å; L86-L119 HydrophobicContact CB-CD1 4.2Å; L86-V120 PolarHBondContact O-N 2.91Å; L86-M145 HydrophobicContact CD1-CE 4.27Å; L86-M145 HydrophobicContact CD1-SD 4.2Å; L86-M145 HydrophobicContact CD2-CE 4.35Å
87V98.5Very high95.3Very high0 Ų029.1 Ų29.10%014%0.137CC..EExtended strand (participates in β ladder)trans-113.9132.4-175.7-169.80000110.4I13 I14 V19 K21 L24 I85 V120 N122I13-V87 HydrophobicContact CG2-CG2 3.71Å; I14-V87 PolarHBondContact O-N 2.92Å; V19-V87 HydrophobicContact CB-CG1 4.2Å; V19-V87 HydrophobicContact CG2-CB 3.84Å; V19-V87 HydrophobicContact CG2-CG1 3.74Å; K21-V87 HydrophobicContact CG-CB 4.01Å; K21-V87 HydrophobicContact CG-CG2 4.04Å; L24-V87 HydrophobicContact CD1-CG1 3.74Å; L24-V87 HydrophobicContact CD1-CG2 3.96Å; I85-V87 HydrophobicContact CG2-CG2 3.82Å; V87-V120 WeakPolarHBondContact CA-O 3.49Å; V87-V120 HydrophobicContact CG2-CB 4.4Å; V87-N122 HydrophobicContact CG1-CB 3.84Å
88Y98.6Very high95.8Very high0 Ų030.1 Ų30.10%014%0.143CC..EExtended strand (participates in β ladder)trans-126.1165.4165.973.2-81.5000110.6V90 F96 L99 L119 V120 G121 N122 V131 F147Y88-V90 HydrophobicContact CE2-CG1 3.96Å; Y88-F96 HydrophobicContact CD1-CD2 4.03Å; Y88-F96 HydrophobicContact CD2-CB 3.88Å; Y88-F96 AromaticContact CD2-CD2 3.77Å; Y88-F96 HydrophobicContact CD2-CD2 3.77Å; Y88-F96 HydrophobicContact CD2-CG 4.28Å; Y88-F96 AromaticContact CE1-CD2 4Å; Y88-F96 HydrophobicContact CE1-CD2 4Å; Y88-F96 HydrophobicContact CE1-CE2 4.3Å; Y88-F96 HydrophobicContact CE2-CB 4.44Å; Y88-F96 AromaticContact CE2-CD2 3.76Å; Y88-F96 HydrophobicContact CE2-CD2 3.76Å; Y88-F96 HydrophobicContact CE2-CG 4.45Å; Y88-F96 HydrophobicContact CG-CB 4.27Å; Y88-F96 AromaticContact CG-CD2 3.9Å; Y88-F96 HydrophobicContact CG-CD2 3.9Å; Y88-F96 AromaticContact CZ-CD2 3.87Å; Y88-L99 HydrophobicContact CD1-CD1 3.83Å; Y88-L99 HydrophobicContact CG-CD1 4.14Å; Y88-L119 HydrophobicContact CD1-CD1 3.74Å; Y88-L119 HydrophobicContact CD1-CG 4.29Å; Y88-L119 HydrophobicContact CE1-CD1 3.91Å; Y88-L119 HydrophobicContact CE1-CD2 4.09Å; Y88-L119 HydrophobicContact CE1-CG 3.94Å; Y88-V120 WeakPolarHBondContact CD1-O 3.29Å; Y88-V120 PolarHBondContact N-O 2.83Å; Y88-G121 VanDerWaalsContact CZ-CA 3.42Å; Y88-N122 WeakPolarHBondContact O-CB 3.31Å; Y88-N122 PolarHBondContact O-N 2.59Å; Y88-V131 HydrophobicContact CE2-CB 3.99Å; Y88-V131 HydrophobicContact CE2-CG1 3.76Å; Y88-V131 HydrophobicContact CE2-CG2 4.38Å; Y88-F147 HydrophobicContact CE1-CE2 4.32Å
89D98.4Very high96.3Very high2 Ų230.1 Ų30.11%0.01114%0.143CC..EExtended strand (participates in β ladder)trans-99.1120.3177.8-172.7-12.8000108.9V19 T91 R92 S95 K123V19-D89 HydrophobicContact CB-CB 4.31Å; V19-D89 HydrophobicContact CG1-CB 4.16Å; D89-T91 PolarHBondContact O-N 3.48Å; D89-T91 VanDerWaalsContact O-N 3.15Å; D89-T91 PolarHBondContact OD1-N 3.38Å; D89-T91 VanDerWaalsContact OD1-N 3.13Å; D89-T91 PolarHBondContact OD1-OG1 3.17Å; D89-T91 VanDerWaalsContact OD1-OG1 3.13Å; D89-R92 HydrophobicContact CB-CB 4.13Å; D89-R92 HydrophobicContact CB-CG 4.39Å; D89-R92 PolarHBondContact O-N 3.48Å; D89-R92 IonicContact OD2-NE 2.65Å; D89-R92 PolarHBondContact OD2-NE 2.91Å; D89-R92 VanDerWaalsContact OD2-NE 3.08Å; D89-S95 PolarHBondContact N-OG 2.91Å; D89-S95 PolarHBondContact O-OG 2.73Å; D89-K123 WeakPolarHBondContact OD1-CD 3.47Å; D89-K123 VanDerWaalsContact OD2-CE 3.29Å; D89-K123 WeakPolarHBondContact OD2-CE 3.33Å; D89-K123 IonicContact OD2-NZ 3.84Å; D89-K123 PolarHBondContact OD2-NZ 2.91Å
90V98.6Very high96.7Very high0 Ų024.8 Ų24.80%013%0.125CC..THydrogen-bonded Turntrans-65.2-18.3-178.1-58.80000112.7Y88 N122 K123 I124 E130 V131Y88-V90 HydrophobicContact CE2-CG1 3.96Å; V90-N122 WeakPolarHBondContact CG2-O 3.35Å; V90-N122 PolarHBondContact N-O 3.23Å; V90-K123 WeakPolarHBondContact CG2-O 3.44Å; V90-I124 HydrophobicContact CG1-CG2 4.12Å; V90-I124 HydrophobicContact CG2-CG2 4.25Å; V90-E130 PolarHBondContact O-N 3.27Å; V90-V131 PolarHBondContact O-N 2.86Å; V90-V131 VanDerWaalsContact O-N 3.08Å
91T98.3Very high97Very high5 Ų527.9 Ų27.93%0.03113%0.134CC..THydrogen-bonded Turntrans-93.84177.183.60000113D89 K126 D128 E130D89-T91 PolarHBondContact O-N 3.48Å; D89-T91 VanDerWaalsContact O-N 3.15Å; D89-T91 PolarHBondContact OD1-N 3.38Å; D89-T91 VanDerWaalsContact OD1-N 3.13Å; D89-T91 PolarHBondContact OD1-OG1 3.17Å; D89-T91 VanDerWaalsContact OD1-OG1 3.13Å; T91-K126 HydrophobicContact CG2-CB 3.56Å; T91-K126 HydrophobicContact CG2-CD 3.75Å; T91-K126 HydrophobicContact CG2-CG 4.31Å; T91-D128 VanDerWaalsContact CA-O 3.26Å; T91-D128 WeakPolarHBondContact CA-O 3.45Å; T91-D128 WeakPolarHBondContact CB-O 3.36Å; T91-D128 WeakPolarHBondContact CG2-OD1 3.09Å; T91-E130 VanDerWaalsContact O-CD 3.25Å; T91-E130 WeakPolarHBondContact O-CG 3.36Å
92R98Very high97Very high66 Ų6628 Ų2825%0.24913%0.134CC..  trans-138.8102.5178.9-58.6-168.3-61.6127.2-9.8112.4S17 D89 D94 S95 E130S17-R92 PolarHBondContact O-NH2 2.79Å; D89-R92 HydrophobicContact CB-CB 4.13Å; D89-R92 HydrophobicContact CB-CG 4.39Å; D89-R92 PolarHBondContact O-N 3.48Å; D89-R92 IonicContact OD2-NE 2.65Å; D89-R92 PolarHBondContact OD2-NE 2.91Å; D89-R92 VanDerWaalsContact OD2-NE 3.08Å; R92-D94 WeakPolarHBondContact CB-OD1 3.35Å; R92-D94 IonicContact NH1-OD1 2.75Å; R92-D94 PolarHBondContact NH1-OD1 3.25Å; R92-D94 IonicContact NH1-OD2 3.24Å; R92-D94 PolarHBondContact O-N 3.5Å; R92-S95 WeakPolarHBondContact O-CB 3.22Å; R92-S95 PolarHBondContact O-N 2.98Å; R92-S95 VanDerWaalsContact O-N 3.15Å; R92-S95 PolarHBondContact O-OG 2.84Å; R92-E130 WeakPolarHBondContact CA-OE2 3.49Å
93R97.8Very high96.9Very high98 Ų9827.6 Ų27.637%0.3713%0.133SC..Hα-helixtrans-56.9-34.3179.8-173.763.9163-161.612.5113.9S95 F96 T97 E130 E135R93-S95 VanDerWaalsContact C-N 3.28Å; R93-S95 PolarHBondContact O-N 2.89Å; R93-F96 PolarHBondContact O-N 2.9Å; R93-T97 PolarHBondContact O-N 3.16Å; R93-T97 PolarHBondContact O-OG1 3.33Å; R93-E130 HydrophobicContact CB-CB 4.22Å; R93-E130 VanDerWaalsContact CB-OE2 3.24Å; R93-E130 WeakPolarHBondContact CB-OE2 3.44Å; R93-E130 PolarHBondContact N-OE2 2.98Å; R93-E130 PolarHBondContact NH1-O 2.57Å; R93-E135 IonicContact CZ-OE1 2.86Å; R93-E135 IonicContact CZ-OE2 3.16Å; R93-E135 VanDerWaalsContact NH1-CD 3.28Å; R93-E135 IonicContact NH1-OE1 2.7Å; R93-E135 PolarHBondContact NH1-OE1 3.18Å; R93-E135 IonicContact NH1-OE2 3.24Å; R93-E135 PolarHBondContact NH1-OE2 3.19Å; R93-E135 IonicContact NH2-OE1 3.74Å; R93-E135 PolarHBondContact NH2-OE1 3.25Å; R93-E135 IonicContact NH2-OE2 2.68Å; R93-E135 PolarHBondContact NH2-OE2 2.97Å
94D97.3Very high96.6Very high73 Ų7331.7 Ų31.739%0.3916%0.155SC..Hα-helixtrans-60.6-40.6179.576.4-35.9000111.4R92 F96 T97 K98R92-D94 WeakPolarHBondContact CB-OD1 3.35Å; R92-D94 IonicContact NH1-OD1 2.75Å; R92-D94 PolarHBondContact NH1-OD1 3.25Å; R92-D94 IonicContact NH1-OD2 3.24Å; R92-D94 PolarHBondContact O-N 3.5Å; D94-F96 VanDerWaalsContact C-N 3.32Å; D94-F96 PolarHBondContact O-N 2.74Å; D94-T97 PolarHBondContact O-N 3.42Å; D94-K98 WeakPolarHBondContact O-CG 3.29Å; D94-K98 PolarHBondContact O-N 3.39Å; D94-K98 VanDerWaalsContact O-N 3.08Å
95S97.8Very high96.3Very high0 Ų033 Ų330%016%0.16CC..Hα-helixtrans-65.9-36.1179.976.80000112.4D89 R92 R93D89-S95 PolarHBondContact N-OG 2.91Å; D89-S95 PolarHBondContact O-OG 2.73Å; R92-S95 WeakPolarHBondContact O-CB 3.22Å; R92-S95 PolarHBondContact O-N 2.98Å; R92-S95 VanDerWaalsContact O-N 3.15Å; R92-S95 PolarHBondContact O-OG 2.84Å; R93-S95 VanDerWaalsContact C-N 3.28Å; R93-S95 PolarHBondContact O-N 2.89Å
96F98.4Very high95.9Very high13 Ų1332.9 Ų32.96%0.05716%0.16CC..Hα-helixtrans-70.3-44.8174.7-178.9-103.5000111.8Y88 R93 D94 K98 L99 V131 E135 F139Y88-F96 HydrophobicContact CD1-CD2 4.03Å; Y88-F96 HydrophobicContact CD2-CB 3.88Å; Y88-F96 AromaticContact CD2-CD2 3.77Å; Y88-F96 HydrophobicContact CD2-CD2 3.77Å; Y88-F96 HydrophobicContact CD2-CG 4.28Å; Y88-F96 AromaticContact CE1-CD2 4Å; Y88-F96 HydrophobicContact CE1-CD2 4Å; Y88-F96 HydrophobicContact CE1-CE2 4.3Å; Y88-F96 HydrophobicContact CE2-CB 4.44Å; Y88-F96 AromaticContact CE2-CD2 3.76Å; Y88-F96 HydrophobicContact CE2-CD2 3.76Å; Y88-F96 HydrophobicContact CE2-CG 4.45Å; Y88-F96 HydrophobicContact CG-CB 4.27Å; Y88-F96 AromaticContact CG-CD2 3.9Å; Y88-F96 HydrophobicContact CG-CD2 3.9Å; Y88-F96 AromaticContact CZ-CD2 3.87Å; R93-F96 PolarHBondContact O-N 2.9Å; D94-F96 VanDerWaalsContact C-N 3.32Å; D94-F96 PolarHBondContact O-N 2.74Å; F96-K98 PolarHBondContact O-N 3.03Å; F96-L99 HydrophobicContact CD2-CD1 3.54Å; F96-L99 HydrophobicContact CE2-CD1 3.94Å; F96-L99 HydrophobicContact CG-CD1 4.29Å; F96-L99 VanDerWaalsContact O-CB 3.24Å; F96-L99 WeakPolarHBondContact O-CB 3.45Å; F96-L99 WeakPolarHBondContact O-CD1 3.45Å; F96-L99 VanDerWaalsContact O-CG 3.28Å; F96-L99 WeakPolarHBondContact O-CG 3.5Å; F96-L99 PolarHBondContact O-N 2.94Å; F96-V131 HydrophobicContact CB-CG2 3.84Å; F96-V131 HydrophobicContact CD1-CG1 4.25Å; F96-V131 HydrophobicContact CD2-CG1 4.01Å; F96-V131 HydrophobicContact CE1-CG1 4.48Å; F96-V131 HydrophobicContact CE2-CG1 4.27Å; F96-V131 HydrophobicContact CG-CG1 4Å; F96-V131 HydrophobicContact CG-CG2 4.15Å; F96-V131 HydrophobicContact CZ-CG1 4.48Å; F96-E135 HydrophobicContact CE1-CG 3.8Å; F96-E135 WeakPolarHBondContact CE1-OE1 3.27Å; F96-E135 HydrophobicContact CZ-CG 3.87Å; F96-F139 HydrophobicContact CE2-CB 4.07Å; F96-F139 HydrophobicContact CE2-CD2 4.48Å; F96-F139 HydrophobicContact CE2-CG 4.2Å; F96-F139 HydrophobicContact CZ-CB 3.74Å; F96-F139 HydrophobicContact CZ-CD2 4.05Å; F96-F139 HydrophobicContact CZ-CG 4.04Å
97T97.1Very high95.5Very high90 Ų9038.1 Ų38.155%0.55218%0.184SC*.Hα-helixtrans-61.8-34.9-179.8-52.50000111.8R93 D94 L99R93-T97 PolarHBondContact O-N 3.16Å; R93-T97 PolarHBondContact O-OG1 3.33Å; D94-T97 PolarHBondContact O-N 3.42Å; T97-L99 PolarHBondContact O-N 3.16Å
98K96.2Very high95Very high75 Ų7542.9 Ų42.933%0.32621%0.214SC..THydrogen-bonded Turntrans-74.8-6.6178.3-70.6179.5-173.6-177.60114.3E16 D94 F96 E100 N101 W102E16-K98 HydrophobicContact CG-CB 4.03Å; E16-K98 HydrophobicContact CG-CD 3.68Å; E16-K98 WeakPolarHBondContact OE2-CD 3.45Å; E16-K98 IonicContact OE2-NZ 2.74Å; E16-K98 PolarHBondContact OE2-NZ 3.38Å; D94-K98 WeakPolarHBondContact O-CG 3.29Å; D94-K98 PolarHBondContact O-N 3.39Å; D94-K98 VanDerWaalsContact O-N 3.08Å; F96-K98 PolarHBondContact O-N 3.03Å; K98-E100 PolarHBondContact O-N 2.95Å; K98-N101 WeakPolarHBondContact O-CB 3.14Å; K98-N101 PolarHBondContact O-N 3.45Å; K98-W102 VanDerWaalsContact O-CD1 3.22Å; K98-W102 PolarHBondContact O-N 3.45Å
99L96.2Very high94.5Very high0 Ų047.7 Ų47.70%023%0.233CC..Hα-helixtrans-59.4-33176.3-71170.3000112.7L86 Y88 F96 T97 N101 W102 L103 L119 F139L86-L99 HydrophobicContact CB-CD2 4.09Å; L86-L99 HydrophobicContact CD2-CD2 4.4Å; Y88-L99 HydrophobicContact CD1-CD1 3.83Å; Y88-L99 HydrophobicContact CG-CD1 4.14Å; F96-L99 HydrophobicContact CD2-CD1 3.54Å; F96-L99 HydrophobicContact CE2-CD1 3.94Å; F96-L99 HydrophobicContact CG-CD1 4.29Å; F96-L99 VanDerWaalsContact O-CB 3.24Å; F96-L99 WeakPolarHBondContact O-CB 3.45Å; F96-L99 WeakPolarHBondContact O-CD1 3.45Å; F96-L99 VanDerWaalsContact O-CG 3.28Å; F96-L99 WeakPolarHBondContact O-CG 3.5Å; F96-L99 PolarHBondContact O-N 2.94Å; T97-L99 PolarHBondContact O-N 3.16Å; L99-N101 VanDerWaalsContact C-N 3.26Å; L99-N101 PolarHBondContact O-N 3.47Å; L99-W102 PolarHBondContact O-N 2.9Å; L99-L103 PolarHBondContact O-N 3.25Å; L99-L119 HydrophobicContact CD1-CD1 3.62Å; L99-L119 HydrophobicContact CD2-CD1 4.2Å; L99-F139 HydrophobicContact CB-CE1 4.03Å; L99-F139 HydrophobicContact CB-CE2 4.26Å; L99-F139 HydrophobicContact CB-CZ 3.57Å; L99-F139 HydrophobicContact CD1-CD1 4.48Å; L99-F139 HydrophobicContact CD1-CE1 4.13Å; L99-F139 HydrophobicContact CD1-CZ 4.32Å
100E95.3Very high93.9Very high56 Ų5648.5 Ų48.526%0.26224%0.239SC..Hα-helixtrans-60.2-38.3174.7-67.3-73.5-17300111K98 L103 N104 F139 K142 H143K98-E100 PolarHBondContact O-N 2.95Å; E100-L103 PolarHBondContact O-N 3.29Å; E100-N104 PolarHBondContact O-N 3.14Å; E100-N104 PolarHBondContact O-ND2 3.41Å; E100-N104 VanDerWaalsContact O-ND2 3.16Å; E100-F139 HydrophobicContact CG-CE2 4.01Å; E100-F139 HydrophobicContact CG-CZ 4.48Å; E100-K142 IonicContact OE1-NZ 3.4Å; E100-K142 PolarHBondContact OE1-NZ 2.96Å; E100-H143 IonicContact OE1-CE1 3.08Å; E100-H143 IonicContact OE1-NE2 3.81Å; E100-H143 PolarHBondContact OE1-NE2 3.14Å; E100-H143 IonicContact OE2-CE1 3.55Å; E100-H143 PolarHBondContact OE2-CE1 3.42Å; E100-H143 VanDerWaalsContact OE2-CE1 3.25Å; E100-H143 IonicContact OE2-NE2 2.77Å; E100-H143 PolarHBondContact OE2-NE2 2.6Å
101N93.2Very high93Very high95 Ų9552.3 Ų52.351%0.50826%0.262SS..Hα-helixtrans-67.7-41.6176.7-63.8-3.6000111.4K98 L99 L103 N104 E105K98-N101 WeakPolarHBondContact O-CB 3.14Å; K98-N101 PolarHBondContact O-N 3.45Å; L99-N101 VanDerWaalsContact C-N 3.26Å; L99-N101 PolarHBondContact O-N 3.47Å; N101-L103 VanDerWaalsContact C-N 3.29Å; N101-L103 PolarHBondContact O-N 3Å; N101-N104 PolarHBondContact O-N 3.25Å; N101-E105 WeakPolarHBondContact O-CB 3.4Å; N101-E105 PolarHBondContact O-N 2.83Å
102W92.9Very high92Very high3 Ų355.3 Ų55.31%0.01127%0.273CS..Hα-helixtrans-64.6-34.5176.1-73.3106.5000112.3I14 G15 E16 R71 L86 K98 L99 L106I14-W102 HydrophobicContact CB-CD2 4.47Å; I14-W102 HydrophobicContact CB-CE3 3.83Å; I14-W102 HydrophobicContact CB-CZ3 4.08Å; I14-W102 HydrophobicContact CD1-CB 4.19Å; I14-W102 HydrophobicContact CD1-CE3 4.29Å; I14-W102 HydrophobicContact CG1-CE3 4.39Å; I14-W102 HydrophobicContact CG2-CE3 4.49Å; I14-W102 HydrophobicContact CG2-CZ3 4.48Å; G15-W102 VanDerWaalsContact C-CE2 3.42Å; G15-W102 WeakPolarHBondContact O-CZ2 3.3Å; E16-W102 PolarHBondContact OE1-NE1 3Å; R71-W102 HydrophobicContact CG-CH2 4.36Å; L86-W102 HydrophobicContact CD2-CB 4.38Å; K98-W102 VanDerWaalsContact O-CD1 3.22Å; K98-W102 PolarHBondContact O-N 3.45Å; L99-W102 PolarHBondContact O-N 2.9Å; W102-L106 WeakPolarHBondContact O-CB 3.39Å; W102-L106 PolarHBondContact O-N 3.21Å
103L92.6Very high91.2Very high1 Ų160.4 Ų60.41%0.00531%0.305CS..Hα-helixtrans-67.2-48.1173.2-83.5168.9000112.5L86 L99 E100 N101 E105 L106 E107 K117 F139 H143 M145L86-L103 HydrophobicContact CD2-CD2 3.91Å; L86-L103 HydrophobicContact CD2-CG 3.84Å; L99-L103 PolarHBondContact O-N 3.25Å; E100-L103 PolarHBondContact O-N 3.29Å; N101-L103 VanDerWaalsContact C-N 3.29Å; N101-L103 PolarHBondContact O-N 3Å; L103-E105 PolarHBondContact O-N 3.26Å; L103-L106 WeakPolarHBondContact O-CB 3.45Å; L103-L106 PolarHBondContact O-N 3.26Å; L103-L106 VanDerWaalsContact O-N 3.16Å; L103-E107 WeakPolarHBondContact O-CG 3.46Å; L103-E107 PolarHBondContact O-N 2.92Å; L103-K117 HydrophobicContact CD2-CD 4.2Å; L103-F139 HydrophobicContact CD1-CE1 3.81Å; L103-F139 HydrophobicContact CD1-CZ 3.56Å; L103-H143 HydrophobicContact CD1-CB 4.31Å; L103-M145 HydrophobicContact CD1-CE 3.43Å; L103-M145 VanDerWaalsContact CD1-CE 3.43Å; L103-M145 HydrophobicContact CD2-CE 3.1Å; L103-M145 HydrophobicContact CG-CE 3.67Å
104N91.3Very high90.7Very high86 Ų8658.7 Ų58.746%0.4630%0.303SS..Hα-helixtrans-58.9-40.4176.9-68.6-28.4000111E100 N101 E107 T108E100-N104 PolarHBondContact O-N 3.14Å; E100-N104 PolarHBondContact O-ND2 3.41Å; E100-N104 VanDerWaalsContact O-ND2 3.16Å; N101-N104 PolarHBondContact O-N 3.25Å; N104-E107 PolarHBondContact O-N 3.38Å; N104-T108 WeakPolarHBondContact O-CB 3.23Å; N104-T108 PolarHBondContact O-N 2.73Å; N104-T108 PolarHBondContact O-OG1 2.56Å
105E88.8Confident90.5Very high26 Ų2656 Ų5612%0.12129%0.288CS..Hα-helixtrans-62.7-47.7175.3-166.1179.9134.500111.4R71 Y78 N101 L103 E107 T108 Y109R71-E105 IonicContact NH1-OE2 2.84Å; Y78-E105 HydrophobicContact CE2-CG 4.09Å; Y78-E105 VanDerWaalsContact CE2-OE1 3.3Å; Y78-E105 WeakPolarHBondContact CE2-OE1 3.3Å; Y78-E105 VanDerWaalsContact OH-CD 3.24Å; Y78-E105 PolarHBondContact OH-OE1 3.33Å; N101-E105 WeakPolarHBondContact O-CB 3.4Å; N101-E105 PolarHBondContact O-N 2.83Å; L103-E105 PolarHBondContact O-N 3.26Å; E105-E107 PolarHBondContact O-N 3.36Å; E105-T108 PolarHBondContact O-N 2.99Å; E105-Y109 HydrophobicContact CG-CD2 3.75Å; E105-Y109 HydrophobicContact CG-CE2 3.67Å; E105-Y109 VanDerWaalsContact O-CD2 3.23Å; E105-Y109 WeakPolarHBondContact O-CD2 3.48Å; E105-Y109 PolarHBondContact O-N 3.41Å; E105-Y109 VanDerWaalsContact O-N 3.14Å
106L90.1Very high90.4Very high2 Ų256.7 Ų56.71%0.0129%0.293CS..Hα-helixtrans-56.6-49.1175.7174.163.8000111.2I14 Y78 V84 W102 L103 T108 Y109 S110 I115 K117I14-L106 HydrophobicContact CD1-CB 4.42Å; Y78-L106 HydrophobicContact CD1-CD1 3.62Å; Y78-L106 HydrophobicContact CE1-CB 4.26Å; Y78-L106 HydrophobicContact CE1-CD1 4.01Å; V84-L106 HydrophobicContact CB-CD2 4.21Å; V84-L106 HydrophobicContact CG1-CD1 4.44Å; V84-L106 HydrophobicContact CG1-CD2 4.09Å; V84-L106 HydrophobicContact CG2-CD1 3.68Å; V84-L106 HydrophobicContact CG2-CD2 4.16Å; W102-L106 WeakPolarHBondContact O-CB 3.39Å; W102-L106 PolarHBondContact O-N 3.21Å; L103-L106 WeakPolarHBondContact O-CB 3.45Å; L103-L106 PolarHBondContact O-N 3.26Å; L103-L106 VanDerWaalsContact O-N 3.16Å; L106-T108 VanDerWaalsContact C-N 3.29Å; L106-T108 PolarHBondContact O-N 3.17Å; L106-Y109 PolarHBondContact O-N 3.11Å; L106-S110 WeakPolarHBondContact CD1-OG 3.3Å; L106-S110 WeakPolarHBondContact O-CB 3.48Å; L106-S110 PolarHBondContact O-N 3.32Å; L106-S110 PolarHBondContact O-OG 2.94Å; L106-I115 HydrophobicContact CD1-CD1 4.43Å; L106-K117 HydrophobicContact CD2-CD 4.32Å; L106-K117 HydrophobicContact CD2-CG 4.35Å
107E89.2Confident90.4Very high109 Ų10958 Ų5851%0.50930%0.298SS..Hα-helixtrans-67.1-31-178.3-70.9177.1-179.400112.6L103 N104 E105 K117L103-E107 WeakPolarHBondContact O-CG 3.46Å; L103-E107 PolarHBondContact O-N 2.92Å; N104-E107 PolarHBondContact O-N 3.38Å; E105-E107 PolarHBondContact O-N 3.36Å; E107-K117 IonicContact OE1-NZ 2.8Å; E107-K117 PolarHBondContact OE1-NZ 3.15Å; E107-K117 VanDerWaalsContact OE1-NZ 3.17Å
108T89.2Confident90.4Very high101 Ų10153.7 Ų53.762%0.6227%0.272SS*.Hα-helixtrans-70.9-39.4177.9-60.40000112.4N104 E105 L106N104-T108 WeakPolarHBondContact O-CB 3.23Å; N104-T108 PolarHBondContact O-N 2.73Å; N104-T108 PolarHBondContact O-OG1 2.56Å; E105-T108 PolarHBondContact O-N 2.99Å; L106-T108 VanDerWaalsContact C-N 3.29Å; L106-T108 PolarHBondContact O-N 3.17Å
109Y87.4Confident90.6Very high101 Ų10150.1 Ų50.140%0.39626%0.256SS..Hα-helixtrans-103.7-10.7-172.3-61-56000114.6P75 Y78 E105 L106P75-Y109 HydrophobicContact CB-CD1 3.81Å; P75-Y109 HydrophobicContact CB-CE1 4.14Å; P75-Y109 HydrophobicContact CB-CG 4.18Å; P75-Y109 HydrophobicContact CG-CD1 4.02Å; P75-Y109 HydrophobicContact CG-CE1 3.84Å; P75-Y109 HydrophobicContact CG-CE2 4.48Å; P75-Y109 HydrophobicContact CG-CG 4.43Å; Y78-Y109 AromaticContact CD2-CD2 3.95Å; Y78-Y109 HydrophobicContact CD2-CD2 3.95Å; Y78-Y109 HydrophobicContact CD2-CG 4.22Å; Y78-Y109 HydrophobicContact CE2-CD2 4.03Å; E105-Y109 HydrophobicContact CG-CD2 3.75Å; E105-Y109 HydrophobicContact CG-CE2 3.67Å; E105-Y109 VanDerWaalsContact O-CD2 3.23Å; E105-Y109 WeakPolarHBondContact O-CD2 3.48Å; E105-Y109 PolarHBondContact O-N 3.41Å; E105-Y109 VanDerWaalsContact O-N 3.14Å; L106-Y109 PolarHBondContact O-N 3.11Å
110S85Confident90.7Very high19 Ų1950.1 Ų50.113%0.13326%0.257CS..  trans-70.1131.6175.9-68.20000111L106 I115L106-S110 WeakPolarHBondContact CD1-OG 3.3Å; L106-S110 WeakPolarHBondContact O-CB 3.48Å; L106-S110 PolarHBondContact O-N 3.32Å; L106-S110 PolarHBondContact O-OG 2.94Å; S110-I115 VanDerWaalsContact CB-CD1 3.49Å; S110-I115 WeakPolarHBondContact OG-CD1 3.45Å
111T80.1Confident90.9Very high80 Ų8047.5 Ų47.549%0.49124%0.244SC..SBendtrans-84.7-2.2172.654.20000112.8R79 G80R79-T111 HydrophobicContact CB-CG2 4.45Å; R79-T111 HydrophobicContact CG-CG2 3.83Å; G80-T111 PolarHBondContact N-OG1 3.26Å
112R78.2Confident91.1Very high67 Ų6743.1 Ų43.125%0.25322%0.221SC..  trans-129.6138.2-171.6-69.8-163.476.71124.7109.2D114 I115 G174R112-D114 WeakPolarHBondContact CB-OD1 3.5Å; R112-D114 IonicContact CZ-OD1 2.73Å; R112-D114 IonicContact CZ-OD2 2.92Å; R112-D114 IonicContact NE-OD1 3.75Å; R112-D114 PolarHBondContact NE-OD1 2.86Å; R112-D114 IonicContact NE-OD2 3.76Å; R112-D114 IonicContact NH2-OD1 3.17Å; R112-D114 PolarHBondContact NH2-OD1 2.85Å; R112-D114 IonicContact NH2-OD2 3.38Å; R112-D114 PolarHBondContact NH2-OD2 3.48Å; R112-I115 HydrophobicContact CB-CD1 4.19Å; R112-I115 HydrophobicContact CB-CG1 3.76Å; R112-G174 PolarHBondContact NH2-O 3.37Å
113N80.6Confident91.4Very high173 Ų17344.9 Ų44.993%0.92523%0.229SC*.SBendtrans-96.3-9.1177.8-63.5-10.9000112.4
114D86.9Confident91.6Very high63 Ų6347.2 Ų47.234%0.33724%0.241SC..  trans-103.414.5-174.459-16.6000113.2R112 V116 L175R112-D114 WeakPolarHBondContact CB-OD1 3.5Å; R112-D114 IonicContact CZ-OD1 2.73Å; R112-D114 IonicContact CZ-OD2 2.92Å; R112-D114 IonicContact NE-OD1 3.75Å; R112-D114 PolarHBondContact NE-OD1 2.86Å; R112-D114 IonicContact NE-OD2 3.76Å; R112-D114 IonicContact NH2-OD1 3.17Å; R112-D114 PolarHBondContact NH2-OD1 2.85Å; R112-D114 IonicContact NH2-OD2 3.38Å; R112-D114 PolarHBondContact NH2-OD2 3.48Å; D114-V116 PolarHBondContact O-N 2.8Å; D114-L175 HydrophobicContact CB-CD1 3.91Å; D114-L175 WeakPolarHBondContact O-CD1 3.41Å; D114-L175 WeakPolarHBondContact OD1-CD1 3.41Å; D114-L175 VanDerWaalsContact OD2-CD1 3.23Å; D114-L175 WeakPolarHBondContact OD2-CD1 3.5Å
115I93.2Very high92Very high15 Ų1545.5 Ų45.58%0.07723%0.231CC..  trans-59.4128.4177.9-59.2-177.8000110A81 V84 L106 S110 R112A81-I115 WeakPolarHBondContact O-CG1 3.4Å; V84-I115 HydrophobicContact CB-CG2 4.33Å; V84-I115 HydrophobicContact CG2-CG2 3.63Å; L106-I115 HydrophobicContact CD1-CD1 4.43Å; S110-I115 VanDerWaalsContact CB-CD1 3.49Å; S110-I115 WeakPolarHBondContact OG-CD1 3.45Å; R112-I115 HydrophobicContact CB-CD1 4.19Å; R112-I115 HydrophobicContact CB-CG1 3.76Å
116V96.8Very high92.3Very high15 Ų1548.4 Ų48.49%0.09124%0.244CC..EExtended strand (participates in β ladder)trans-78.4125.8175.4-174.40000109.4Q82 G83 V84 D114 L146 L165 K168 I169 L175Q82-V116 PolarHBondContact O-N 3.01Å; Q82-V116 VanDerWaalsContact O-N 3.1Å; G83-V116 CarbonylContact C-O 3.59Å; G83-V116 VanDerWaalsContact CA-O 3.32Å; G83-V116 WeakPolarHBondContact CA-O 3.32Å; V84-V116 PolarHBondContact N-O 2.81Å; D114-V116 PolarHBondContact O-N 2.8Å; V116-L146 HydrophobicContact CG1-CD1 4.33Å; V116-L165 HydrophobicContact CB-CD1 3.86Å; V116-L165 HydrophobicContact CG1-CD1 3.55Å; V116-K168 HydrophobicContact CG1-CB 3.9Å; V116-K168 HydrophobicContact CG1-CG 3.52Å; V116-K168 HydrophobicContact CG2-CG 4.23Å; V116-I169 HydrophobicContact CB-CG1 3.75Å; V116-I169 HydrophobicContact CG1-CG1 4.46Å; V116-I169 HydrophobicContact CG2-CB 4.46Å; V116-I169 HydrophobicContact CG2-CG1 3.63Å; V116-L175 HydrophobicContact CG2-CD2 3.95Å
117K97.4Very high92.3Very high40 Ų4056.4 Ų56.417%0.17429%0.286CS..EExtended strand (participates in β ladder)trans-107.9131.2-176.5-56175-165.1178.70109.9L86 L103 L106 E107 M145 L146L86-K117 HydrophobicContact CD1-CB 4.37Å; L103-K117 HydrophobicContact CD2-CD 4.2Å; L106-K117 HydrophobicContact CD2-CD 4.32Å; L106-K117 HydrophobicContact CD2-CG 4.35Å; E107-K117 IonicContact OE1-NZ 2.8Å; E107-K117 PolarHBondContact OE1-NZ 3.15Å; E107-K117 VanDerWaalsContact OE1-NZ 3.17Å; K117-M145 HydrophobicContact CB-CB 4.13Å; K117-M145 HydrophobicContact CB-CG 3.73Å; K117-M145 HydrophobicContact CB-SD 4.22Å; K117-M145 HydrophobicContact CD-CE 4.16Å; K117-M145 HydrophobicContact CD-CG 4.36Å; K117-M145 WeakPolarHBondContact O-CA 3.24Å; K117-L146 PolarHBondContact O-N 2.92Å
118M98.6Very high92.6Very high0 Ų055.5 Ų55.50%029%0.285CS..EExtended strand (participates in β ladder)trans-118.9123.417317162.379.500109.1V84 I85 L86 V120 L146 I148 A161 E164 L165V84-M118 PolarHBondContact O-N 3.41Å; I85-M118 CarbonylContact C-O 3.56Å; I85-M118 WeakPolarHBondContact CA-O 3.28Å; I85-M118 HydrophobicContact CG1-CB 4.34Å; L86-M118 PolarHBondContact N-O 2.83Å; M118-V120 HydrophobicContact CG-CG2 3.9Å; M118-L146 HydrophobicContact CB-CB 4.44Å; M118-L146 HydrophobicContact CE-CB 3.36Å; M118-L146 HydrophobicContact CE-CD1 3.65Å; M118-L146 HydrophobicContact CE-CG 4.15Å; M118-L146 HydrophobicContact SD-CB 3.55Å; M118-L146 VanDerWaalsContact SD-CB 3.55Å; M118-I148 HydrophobicContact CE-CG1 4.18Å; M118-I148 HydrophobicContact SD-CB 4.32Å; M118-I148 HydrophobicContact SD-CG1 4.14Å; M118-A161 WeakPolarHBondContact CE-O 3.4Å; M118-E164 HydrophobicContact CE-CB 3.91Å; M118-L165 HydrophobicContact CB-CB 4.37Å; M118-L165 HydrophobicContact CB-CD1 4.2Å; M118-L165 HydrophobicContact CB-CD2 4.34Å; M118-L165 HydrophobicContact CE-CB 4.5Å
119L98.8Very high93Very high0 Ų054.9 Ų54.90%027%0.271CS..EExtended strand (participates in β ladder)trans-92.8129.1170.5179.667.5000110L86 Y88 L99 G136 F139 A140 M145 L146 F147 I148L86-L119 HydrophobicContact CB-CD1 4.2Å; Y88-L119 HydrophobicContact CD1-CD1 3.74Å; Y88-L119 HydrophobicContact CD1-CG 4.29Å; Y88-L119 HydrophobicContact CE1-CD1 3.91Å; Y88-L119 HydrophobicContact CE1-CD2 4.09Å; Y88-L119 HydrophobicContact CE1-CG 3.94Å; L99-L119 HydrophobicContact CD1-CD1 3.62Å; L99-L119 HydrophobicContact CD2-CD1 4.2Å; L119-G136 WeakPolarHBondContact CD2-O 3.21Å; L119-F139 HydrophobicContact CD2-CB 4.49Å; L119-F139 HydrophobicContact CD2-CD1 3.85Å; L119-A140 HydrophobicContact CB-CB 4.28Å; L119-A140 HydrophobicContact CD2-CB 4Å; L119-M145 HydrophobicContact CB-SD 4.02Å; L119-L146 PolarHBondContact N-O 3.04Å; L119-F147 HydrophobicContact CB-CD2 4.01Å; L119-F147 HydrophobicContact CD2-CD2 3.69Å; L119-F147 HydrophobicContact CD2-CE2 3.97Å; L119-F147 HydrophobicContact CG-CD2 3.83Å; L119-F147 HydrophobicContact CG-CE2 4.2Å; L119-F147 WeakPolarHBondContact O-CA 3.39Å; L119-F147 WeakPolarHBondContact O-CD2 3.43Å; L119-I148 PolarHBondContact O-N 3.45Å
120V98.9Very high93.5Very high1 Ų155.2 Ų55.21%0.00628%0.276CS..EExtended strand (participates in β ladder)trans-120115.8176.7-178.90000110.8L24 I85 L86 V87 Y88 M118 N122 I148 A150 A161L24-V120 HydrophobicContact CD1-CG1 3.97Å; I85-V120 HydrophobicContact CG2-CB 4.33Å; I85-V120 HydrophobicContact CG2-CG2 3.6Å; L86-V120 PolarHBondContact O-N 2.91Å; V87-V120 WeakPolarHBondContact CA-O 3.49Å; V87-V120 HydrophobicContact CG2-CB 4.4Å; Y88-V120 WeakPolarHBondContact CD1-O 3.29Å; Y88-V120 PolarHBondContact N-O 2.83Å; M118-V120 HydrophobicContact CG-CG2 3.9Å; V120-N122 HydrophobicContact CG1-CB 4.44Å; V120-N122 PolarHBondContact O-N 2.92Å; V120-I148 VanDerWaalsContact CA-O 3.28Å; V120-I148 WeakPolarHBondContact CA-O 3.4Å; V120-A150 HydrophobicContact CG1-CB 3.76Å; V120-A161 HydrophobicContact CG2-CB 4.02Å
121G98.7Very high94.1Very high0 Ų054.3 Ų54.30%027%0.27CS..EExtended strand (participates in β ladder)trans-85.899.7165.700000109.9Y88 I148 E149 A150Y88-G121 VanDerWaalsContact CZ-CA 3.42Å; G121-I148 PolarHBondContact N-O 3.36Å; G121-E149 CarbonylContact O-C 3.36Å; G121-E149 WeakPolarHBondContact O-CA 3.37Å; G121-A150 PolarHBondContact O-N 2.85Å
122N98.7Very high95Very high3 Ų355.4 Ų55.42%0.01627%0.273CS..EExtended strand (participates in β ladder)trans-91.7163.6-173.9-169.133.6000112.5V19 L24 V87 Y88 V90 V120 A150 A152V19-N122 PolarHBondContact O-ND2 2.88Å; L24-N122 HydrophobicContact CD1-CB 4.22Å; V87-N122 HydrophobicContact CG1-CB 3.84Å; Y88-N122 WeakPolarHBondContact O-CB 3.31Å; Y88-N122 PolarHBondContact O-N 2.59Å; V90-N122 WeakPolarHBondContact CG2-O 3.35Å; V90-N122 PolarHBondContact N-O 3.23Å; V120-N122 HydrophobicContact CG1-CB 4.44Å; V120-N122 PolarHBondContact O-N 2.92Å; N122-A150 CarbonylContact C-O 3.47Å; N122-A150 VanDerWaalsContact CA-O 3.25Å; N122-A150 WeakPolarHBondContact CA-O 3.36Å; N122-A150 PolarHBondContact OD1-O 3.36Å; N122-A152 PolarHBondContact OD1-N 2.9Å
123K98.3Very high95.9Very high41 Ų4159.2 Ų59.218%0.17829%0.287CS..  trans70.136.2177.9-45.8-167.9-164.7166.50114.8G18 D89 V90 D125 K126 A150G18-K123 WeakPolarHBondContact O-CE 3.45Å; G18-K123 PolarHBondContact O-NZ 3.41Å; D89-K123 WeakPolarHBondContact OD1-CD 3.47Å; D89-K123 VanDerWaalsContact OD2-CE 3.29Å; D89-K123 WeakPolarHBondContact OD2-CE 3.33Å; D89-K123 IonicContact OD2-NZ 3.84Å; D89-K123 PolarHBondContact OD2-NZ 2.91Å; V90-K123 WeakPolarHBondContact CG2-O 3.44Å; K123-D125 WeakPolarHBondContact CA-OD1 3.25Å; K123-D125 PolarHBondContact O-N 2.95Å; K123-D125 VanDerWaalsContact O-N 3.11Å; K123-K126 HydrophobicContact CB-CD 4.35Å; K123-K126 HydrophobicContact CD-CD 4.43Å; K123-K126 PolarHBondContact O-N 3.34Å; K123-A150 PolarHBondContact N-O 3.4Å
124I98.4Very high96.7Very high50 Ų5056.3 Ų56.326%0.25627%0.272SS..THydrogen-bonded Turntrans-64.8-10.4175.465.6178.9000114.6V90 K126 E149 A150 D156V90-I124 HydrophobicContact CG1-CG2 4.12Å; V90-I124 HydrophobicContact CG2-CG2 4.25Å; I124-K126 PolarHBondContact O-N 3.32Å; I124-E149 HydrophobicContact CD1-CB 4.32Å; I124-E149 HydrophobicContact CG2-CB 3.75Å; I124-E149 HydrophobicContact CG2-CG 4.22Å; I124-A150 PolarHBondContact N-O 3.3Å; I124-D156 HydrophobicContact CD1-CB 4.24Å
125D97.9Very high97.3Very high49 Ų4956 Ų5626%0.26227%0.269SS..THydrogen-bonded Turntrans-72.6-7173.860.8-78.9000113.9K123 S151 K153 T154K123-D125 WeakPolarHBondContact CA-OD1 3.25Å; K123-D125 PolarHBondContact O-N 2.95Å; K123-D125 VanDerWaalsContact O-N 3.11Å; D125-S151 VanDerWaalsContact CG-OG 3.26Å; D125-S151 VanDerWaalsContact OD1-CB 3.31Å; D125-S151 WeakPolarHBondContact OD1-CB 3.22Å; D125-S151 PolarHBondContact OD1-OG 2.88Å; D125-K153 WeakPolarHBondContact OD2-CD 3.33Å; D125-K153 IonicContact OD2-NZ 2.66Å; D125-T154 HydrophobicContact CB-CG2 3.79Å
126K95.8Very high97.5Very high88 Ų8855.3 Ų55.338%0.38327%0.265SS..  trans-100.6144.9179.9-70.9-172.8162.5-158.70112.3T91 K123 I124 D128T91-K126 HydrophobicContact CG2-CB 3.56Å; T91-K126 HydrophobicContact CG2-CD 3.75Å; T91-K126 HydrophobicContact CG2-CG 4.31Å; K123-K126 HydrophobicContact CB-CD 4.35Å; K123-K126 HydrophobicContact CD-CD 4.43Å; K123-K126 PolarHBondContact O-N 3.34Å; I124-K126 PolarHBondContact O-N 3.32Å; K126-D128 WeakPolarHBondContact CB-OD1 3.5Å
127D91.4Very high97.6Very high169 Ų16957 Ų5790%0.90427%0.273SS*.SBendtrans-82.4-22.3-175.9-61-48.4000114R129D127-R129 PolarHBondContact O-N 2.7Å
128D94.9Very high97.6Very high91 Ų9162.5 Ų62.549%0.48730%0.297SS..  trans-79.646.1-177.158.2-39000113.1T91 K126 E130T91-D128 VanDerWaalsContact CA-O 3.26Å; T91-D128 WeakPolarHBondContact CA-O 3.45Å; T91-D128 WeakPolarHBondContact CB-O 3.36Å; T91-D128 WeakPolarHBondContact CG2-OD1 3.09Å; K126-D128 WeakPolarHBondContact CB-OD1 3.5Å; D128-E130 PolarHBondContact O-N 2.88Å
129R97.4Very high97.6Very high87 Ų8763.4 Ų63.433%0.32830%0.301SS..  trans-64.7127.2-178.9179.6-179.3-76.3-99.912.6111.8D127 V131 E149D127-R129 PolarHBondContact O-N 2.7Å; R129-V131 WeakPolarHBondContact CD-O 3.48Å; R129-V131 VanDerWaalsContact CG-O 3.3Å; R129-V131 WeakPolarHBondContact CG-O 3.17Å; R129-V131 PolarHBondContact NH1-O 2.87Å; R129-E149 IonicContact CZ-OE1 3.36Å; R129-E149 IonicContact CZ-OE2 3.18Å; R129-E149 IonicContact NH1-OE1 3.25Å; R129-E149 PolarHBondContact NH1-OE1 2.99Å; R129-E149 IonicContact NH1-OE2 3.25Å; R129-E149 IonicContact NH2-OE1 2.73Å; R129-E149 PolarHBondContact NH2-OE1 3.5Å; R129-E149 IonicContact NH2-OE2 3.69Å; R129-E149 PolarHBondContact NH2-OE2 2.73Å
130E98.3Very high97.6Very high108 Ų10863.5 Ų63.551%0.50530%0.302SS..  trans-111.6-13.1175.2-62.5-173.1173.900113.3V90 T91 R92 R93 D128V90-E130 PolarHBondContact O-N 3.27Å; T91-E130 VanDerWaalsContact O-CD 3.25Å; T91-E130 WeakPolarHBondContact O-CG 3.36Å; R92-E130 WeakPolarHBondContact CA-OE2 3.49Å; R93-E130 HydrophobicContact CB-CB 4.22Å; R93-E130 VanDerWaalsContact CB-OE2 3.24Å; R93-E130 WeakPolarHBondContact CB-OE2 3.44Å; R93-E130 PolarHBondContact N-OE2 2.98Å; R93-E130 PolarHBondContact NH1-O 2.57Å; D128-E130 PolarHBondContact O-N 2.88Å
131V98Very high97.5Very high0 Ų072.1 Ų72.10%033%0.334CS..SBendtrans-126.3117.7179.7-174.80000109.9Y88 V90 F96 R129 E135Y88-V131 HydrophobicContact CE2-CB 3.99Å; Y88-V131 HydrophobicContact CE2-CG1 3.76Å; Y88-V131 HydrophobicContact CE2-CG2 4.38Å; V90-V131 PolarHBondContact O-N 2.86Å; V90-V131 VanDerWaalsContact O-N 3.08Å; F96-V131 HydrophobicContact CB-CG2 3.84Å; F96-V131 HydrophobicContact CD1-CG1 4.25Å; F96-V131 HydrophobicContact CD2-CG1 4.01Å; F96-V131 HydrophobicContact CE1-CG1 4.48Å; F96-V131 HydrophobicContact CE2-CG1 4.27Å; F96-V131 HydrophobicContact CG-CG1 4Å; F96-V131 HydrophobicContact CG-CG2 4.15Å; F96-V131 HydrophobicContact CZ-CG1 4.48Å; R129-V131 WeakPolarHBondContact CD-O 3.48Å; R129-V131 VanDerWaalsContact CG-O 3.3Å; R129-V131 WeakPolarHBondContact CG-O 3.17Å; R129-V131 PolarHBondContact NH1-O 2.87Å; V131-E135 HydrophobicContact CG1-CB 4.31Å
132D97.3Very high97.5Very high104 Ų10478.8 Ų78.856%0.55636%0.363SS*.  trans-71146.1177-76.1-30.3000111.8N134 E135 G136D132-N134 PolarHBondContact O-N 2.92Å; D132-N134 VanDerWaalsContact O-N 3.16Å; D132-E135 WeakPolarHBondContact O-CB 3.18Å; D132-E135 PolarHBondContact O-N 3.07Å; D132-G136 PolarHBondContact O-N 3.13Å
133R97.8Very high97.4Very high146 Ų14680.5 Ų80.555%0.55137%0.371SS*.Hα-helixtrans-53.6-38.4175.5-173.3173.4-179.7-118.20.4112.7E135 G136 L137 F147 E149R133-E135 VanDerWaalsContact C-N 3.26Å; R133-E135 PolarHBondContact O-N 2.86Å; R133-G136 PolarHBondContact O-N 3.24Å; R133-L137 WeakPolarHBondContact O-CB 3.3Å; R133-L137 PolarHBondContact O-N 2.96Å; R133-F147 HydrophobicContact CG-CE1 3.83Å; R133-F147 HydrophobicContact CG-CZ 4.28Å; R133-F147 WeakPolarHBondContact O-CE1 3.43Å; R133-E149 VanDerWaalsContact CA-OE1 3.3Å; R133-E149 WeakPolarHBondContact CA-OE1 3.16Å; R133-E149 VanDerWaalsContact CB-OE1 3.3Å; R133-E149 WeakPolarHBondContact CB-OE1 3.11Å; R133-E149 HydrophobicContact CG-CG 4.09Å
134N98.1Very high97.3Very high112 Ų11283.9 Ų83.960%0.59940%0.4SS*.Hα-helixtrans-64.6-30.9178.5-74.3-33.3000112.6D132 K138D132-N134 PolarHBondContact O-N 2.92Å; D132-N134 VanDerWaalsContact O-N 3.16Å; N134-K138 WeakPolarHBondContact O-CB 3.23Å; N134-K138 VanDerWaalsContact O-CG 3.23Å; N134-K138 WeakPolarHBondContact O-CG 3.47Å; N134-K138 PolarHBondContact O-N 2.96Å
135E98Very high97.2Very high57 Ų5782.4 Ų82.427%0.26639%0.392SS..Hα-helixtrans-73-45.9177.2-169.6173.417300111.1R93 F96 V131 D132 R133 L137 K138 F139R93-E135 IonicContact CZ-OE1 2.86Å; R93-E135 IonicContact CZ-OE2 3.16Å; R93-E135 VanDerWaalsContact NH1-CD 3.28Å; R93-E135 IonicContact NH1-OE1 2.7Å; R93-E135 PolarHBondContact NH1-OE1 3.18Å; R93-E135 IonicContact NH1-OE2 3.24Å; R93-E135 PolarHBondContact NH1-OE2 3.19Å; R93-E135 IonicContact NH2-OE1 3.74Å; R93-E135 PolarHBondContact NH2-OE1 3.25Å; R93-E135 IonicContact NH2-OE2 2.68Å; R93-E135 PolarHBondContact NH2-OE2 2.97Å; F96-E135 HydrophobicContact CE1-CG 3.8Å; F96-E135 WeakPolarHBondContact CE1-OE1 3.27Å; F96-E135 HydrophobicContact CZ-CG 3.87Å; V131-E135 HydrophobicContact CG1-CB 4.31Å; D132-E135 WeakPolarHBondContact O-CB 3.18Å; D132-E135 PolarHBondContact O-N 3.07Å; R133-E135 VanDerWaalsContact C-N 3.26Å; R133-E135 PolarHBondContact O-N 2.86Å; E135-L137 VanDerWaalsContact C-N 3.32Å; E135-L137 PolarHBondContact O-N 2.89Å; E135-K138 PolarHBondContact O-N 3.47Å; E135-F139 PolarHBondContact O-N 2.87Å
136G98.1Very high97.3Very high0 Ų082.3 Ų82.30%039%0.391CS..Hα-helixtrans-56.4-45.3171.700000112.3L119 D132 R133 K138 F139 A140L119-G136 WeakPolarHBondContact CD2-O 3.21Å; D132-G136 PolarHBondContact O-N 3.13Å; R133-G136 PolarHBondContact O-N 3.24Å; G136-K138 PolarHBondContact O-N 3.36Å; G136-F139 WeakPolarHBondContact O-CB 3.42Å; G136-F139 PolarHBondContact O-N 3.13Å; G136-A140 WeakPolarHBondContact O-CB 3.49Å; G136-A140 PolarHBondContact O-N 3.47Å
137L98.2Very high97.4Very high51 Ų5179.2 Ų79.227%0.26738%0.378SS..Hα-helixtrans-62.4-41.7176.8-178.763000112.7R133 E135 F139 A140 R141 F147R133-L137 WeakPolarHBondContact O-CB 3.3Å; R133-L137 PolarHBondContact O-N 2.96Å; E135-L137 VanDerWaalsContact C-N 3.32Å; E135-L137 PolarHBondContact O-N 2.89Å; L137-F139 VanDerWaalsContact C-N 3.35Å; L137-A140 PolarHBondContact O-N 3.38Å; L137-R141 HydrophobicContact CD1-CG 4.48Å; L137-R141 WeakPolarHBondContact O-CB 3.32Å; L137-R141 WeakPolarHBondContact O-CG 3.47Å; L137-R141 PolarHBondContact O-N 2.88Å; L137-F147 HydrophobicContact CB-CD1 3.87Å; L137-F147 HydrophobicContact CB-CE1 3.95Å; L137-F147 HydrophobicContact CD1-CB 4.44Å; L137-F147 HydrophobicContact CD1-CD1 3.93Å
138K98.6Very high97.7Very high155 Ų15572.6 Ų72.667%0.67434%0.342SS*.Hα-helixtrans-63-42.6175.8-78.4172-176.8178.60111.2N134 E135 G136 R141 K142N134-K138 WeakPolarHBondContact O-CB 3.23Å; N134-K138 VanDerWaalsContact O-CG 3.23Å; N134-K138 WeakPolarHBondContact O-CG 3.47Å; N134-K138 PolarHBondContact O-N 2.96Å; E135-K138 PolarHBondContact O-N 3.47Å; G136-K138 PolarHBondContact O-N 3.36Å; K138-R141 PolarHBondContact O-N 3.2Å; K138-K142 WeakPolarHBondContact O-CB 3.34Å; K138-K142 PolarHBondContact O-N 3.38Å
139F98.4Very high97.9Very high20 Ų2069.6 Ų69.69%0.08833%0.325CS..Hα-helixtrans-62.5-47.8176.5-176-82.1000111.8F96 L99 E100 L103 L119 E135 G136 L137 R141 K142 H143 M145F96-F139 HydrophobicContact CE2-CB 4.07Å; F96-F139 HydrophobicContact CE2-CD2 4.48Å; F96-F139 HydrophobicContact CE2-CG 4.2Å; F96-F139 HydrophobicContact CZ-CB 3.74Å; F96-F139 HydrophobicContact CZ-CD2 4.05Å; F96-F139 HydrophobicContact CZ-CG 4.04Å; L99-F139 HydrophobicContact CB-CE1 4.03Å; L99-F139 HydrophobicContact CB-CE2 4.26Å; L99-F139 HydrophobicContact CB-CZ 3.57Å; L99-F139 HydrophobicContact CD1-CD1 4.48Å; L99-F139 HydrophobicContact CD1-CE1 4.13Å; L99-F139 HydrophobicContact CD1-CZ 4.32Å; E100-F139 HydrophobicContact CG-CE2 4.01Å; E100-F139 HydrophobicContact CG-CZ 4.48Å; L103-F139 HydrophobicContact CD1-CE1 3.81Å; L103-F139 HydrophobicContact CD1-CZ 3.56Å; L119-F139 HydrophobicContact CD2-CB 4.49Å; L119-F139 HydrophobicContact CD2-CD1 3.85Å; E135-F139 PolarHBondContact O-N 2.87Å; G136-F139 WeakPolarHBondContact O-CB 3.42Å; G136-F139 PolarHBondContact O-N 3.13Å; L137-F139 VanDerWaalsContact C-N 3.35Å; F139-R141 VanDerWaalsContact C-N 3.34Å; F139-R141 PolarHBondContact O-N 3.34Å; F139-K142 WeakPolarHBondContact O-CB 3.44Å; F139-K142 PolarHBondContact O-N 3.16Å; F139-H143 AromaticContact CD1-CD2 3.87Å; F139-H143 AromaticContact CE1-CD2 3.6Å; F139-H143 AromaticContact CE2-CD2 3.75Å; F139-H143 AromaticContact CE2-NE2 3.67Å; F139-H143 AromaticContact CZ-CD2 3.54Å; F139-H143 AromaticContact CZ-NE2 3.67Å; F139-H143 PolarHBondContact O-CD2 3.45Å; F139-H143 PolarHBondContact O-N 2.98Å; F139-H143 VanDerWaalsContact O-N 3.14Å; F139-M145 HydrophobicContact CE1-CE 4.11Å; F139-M145 HydrophobicContact CE1-SD 4.48Å
140A98.2Very high98Very high1 Ų165.4 Ų65.41%0.00831%0.31CS..Hα-helixtrans-58.9-44.9177.400000111.8L119 G136 L137 H143 S144 M145 F147L119-A140 HydrophobicContact CB-CB 4.28Å; L119-A140 HydrophobicContact CD2-CB 4Å; G136-A140 WeakPolarHBondContact O-CB 3.49Å; G136-A140 PolarHBondContact O-N 3.47Å; L137-A140 PolarHBondContact O-N 3.38Å; A140-H143 CarbonylContact O-C 3.56Å; A140-H143 PolarHBondContact O-N 3.41Å; A140-S144 PolarHBondContact O-N 3.42Å; A140-M145 HydrophobicContact CB-CB 4.09Å; A140-M145 PolarHBondContact O-N 2.96Å; A140-F147 HydrophobicContact CB-CB 3.64Å; A140-F147 HydrophobicContact CB-CD2 4.45Å; A140-F147 HydrophobicContact CB-CG 4.21Å
141R97.9Very high98Very high182 Ų18260.3 Ų60.369%0.68729%0.285SS*.Hα-helixtrans-62.6-44176.2-74178.1179.3-178.10.5112.8L137 K138 F139 H143 S144L137-R141 HydrophobicContact CD1-CG 4.48Å; L137-R141 WeakPolarHBondContact O-CB 3.32Å; L137-R141 WeakPolarHBondContact O-CG 3.47Å; L137-R141 PolarHBondContact O-N 2.88Å; K138-R141 PolarHBondContact O-N 3.2Å; F139-R141 VanDerWaalsContact C-N 3.34Å; F139-R141 PolarHBondContact O-N 3.34Å; R141-H143 PolarHBondContact O-N 3.27Å; R141-S144 PolarHBondContact O-N 3.43Å
142K97.6Very high98Very high141 Ų14160.4 Ų60.461%0.61329%0.287SS*.Hα-helixtrans-55.1-38.7177.1177.8-169.8169.6-163.30111.3E100 K138 F139E100-K142 IonicContact OE1-NZ 3.4Å; E100-K142 PolarHBondContact OE1-NZ 2.96Å; K138-K142 WeakPolarHBondContact O-CB 3.34Å; K138-K142 PolarHBondContact O-N 3.38Å; F139-K142 WeakPolarHBondContact O-CB 3.44Å; F139-K142 PolarHBondContact O-N 3.16Å
143H96.3Very high98Very high38 Ų3861.2 Ų61.218%0.17629%0.285CS..THydrogen-bonded Turntrans-104.815.1-174.4-67.8-70000114.2E100 L103 F139 A140 R141 M145E100-H143 IonicContact OE1-CE1 3.08Å; E100-H143 IonicContact OE1-NE2 3.81Å; E100-H143 PolarHBondContact OE1-NE2 3.14Å; E100-H143 IonicContact OE2-CE1 3.55Å; E100-H143 PolarHBondContact OE2-CE1 3.42Å; E100-H143 VanDerWaalsContact OE2-CE1 3.25Å; E100-H143 IonicContact OE2-NE2 2.77Å; E100-H143 PolarHBondContact OE2-NE2 2.6Å; L103-H143 HydrophobicContact CD1-CB 4.31Å; F139-H143 AromaticContact CD1-CD2 3.87Å; F139-H143 AromaticContact CE1-CD2 3.6Å; F139-H143 AromaticContact CE2-CD2 3.75Å; F139-H143 AromaticContact CE2-NE2 3.67Å; F139-H143 AromaticContact CZ-CD2 3.54Å; F139-H143 AromaticContact CZ-NE2 3.67Å; F139-H143 PolarHBondContact O-CD2 3.45Å; F139-H143 PolarHBondContact O-N 2.98Å; F139-H143 VanDerWaalsContact O-N 3.14Å; A140-H143 CarbonylContact O-C 3.56Å; A140-H143 PolarHBondContact O-N 3.41Å; R141-H143 PolarHBondContact O-N 3.27Å; H143-M145 VanDerWaalsContact C-N 3.35Å; H143-M145 HydrophobicContact CB-CE 3.52Å; H143-M145 HydrophobicContact CB-CG 4Å; H143-M145 HydrophobicContact CB-SD 4.39Å; H143-M145 PolarHBondContact O-N 3.35Å
144S96.1Very high98Very high113 Ų11357.3 Ų57.379%0.7928%0.277SS*.THydrogen-bonded Turntrans5345.7179.4-56.70000114.2A140 R141A140-S144 PolarHBondContact O-N 3.42Å; R141-S144 PolarHBondContact O-N 3.43Å
145M97.6Very high98Very high18 Ų1856.8 Ų56.89%0.08927%0.27CS..  trans-106.5154.9178.5-46.1-172.4179.800111.9L86 L103 K117 L119 F139 A140 H143L86-M145 HydrophobicContact CD1-CE 4.27Å; L86-M145 HydrophobicContact CD1-SD 4.2Å; L86-M145 HydrophobicContact CD2-CE 4.35Å; L103-M145 HydrophobicContact CD1-CE 3.43Å; L103-M145 VanDerWaalsContact CD1-CE 3.43Å; L103-M145 HydrophobicContact CD2-CE 3.1Å; L103-M145 HydrophobicContact CG-CE 3.67Å; K117-M145 HydrophobicContact CB-CB 4.13Å; K117-M145 HydrophobicContact CB-CG 3.73Å; K117-M145 HydrophobicContact CB-SD 4.22Å; K117-M145 HydrophobicContact CD-CE 4.16Å; K117-M145 HydrophobicContact CD-CG 4.36Å; K117-M145 WeakPolarHBondContact O-CA 3.24Å; L119-M145 HydrophobicContact CB-SD 4.02Å; F139-M145 HydrophobicContact CE1-CE 4.11Å; F139-M145 HydrophobicContact CE1-SD 4.48Å; A140-M145 HydrophobicContact CB-CB 4.09Å; A140-M145 PolarHBondContact O-N 2.96Å; H143-M145 VanDerWaalsContact C-N 3.35Å; H143-M145 HydrophobicContact CB-CE 3.52Å; H143-M145 HydrophobicContact CB-CG 4Å; H143-M145 HydrophobicContact CB-SD 4.39Å; H143-M145 PolarHBondContact O-N 3.35Å
146L98.4Very high98Very high47 Ų4758.2 Ų58.225%0.24628%0.28CS..EExtended strand (participates in β ladder)trans-68.2159.1158-57.5174.7000109.8V116 K117 M118 L119 E164 K168V116-L146 HydrophobicContact CG1-CD1 4.33Å; K117-L146 PolarHBondContact O-N 2.92Å; M118-L146 HydrophobicContact CB-CB 4.44Å; M118-L146 HydrophobicContact CE-CB 3.36Å; M118-L146 HydrophobicContact CE-CD1 3.65Å; M118-L146 HydrophobicContact CE-CG 4.15Å; M118-L146 HydrophobicContact SD-CB 3.55Å; M118-L146 VanDerWaalsContact SD-CB 3.55Å; L119-L146 PolarHBondContact N-O 3.04Å; L146-E164 HydrophobicContact CD1-CB 4.4Å; L146-K168 HydrophobicContact CD1-CB 3.94Å; L146-K168 HydrophobicContact CD1-CG 4.23Å
147F98.7Very high98Very high24 Ų2459.3 Ų59.311%0.10529%0.29CS..EExtended strand (participates in β ladder)trans-144.9125.4-179.5178.2-119.1000112.9Y88 L119 R133 L137 A140 E149Y88-F147 HydrophobicContact CE1-CE2 4.32Å; L119-F147 HydrophobicContact CB-CD2 4.01Å; L119-F147 HydrophobicContact CD2-CD2 3.69Å; L119-F147 HydrophobicContact CD2-CE2 3.97Å; L119-F147 HydrophobicContact CG-CD2 3.83Å; L119-F147 HydrophobicContact CG-CE2 4.2Å; L119-F147 WeakPolarHBondContact O-CA 3.39Å; L119-F147 WeakPolarHBondContact O-CD2 3.43Å; R133-F147 HydrophobicContact CG-CE1 3.83Å; R133-F147 HydrophobicContact CG-CZ 4.28Å; R133-F147 WeakPolarHBondContact O-CE1 3.43Å; L137-F147 HydrophobicContact CB-CD1 3.87Å; L137-F147 HydrophobicContact CB-CE1 3.95Å; L137-F147 HydrophobicContact CD1-CB 4.44Å; L137-F147 HydrophobicContact CD1-CD1 3.93Å; A140-F147 HydrophobicContact CB-CB 3.64Å; A140-F147 HydrophobicContact CB-CD2 4.45Å; A140-F147 HydrophobicContact CB-CG 4.21Å; F147-E149 HydrophobicContact CE1-CG 4.31Å; F147-E149 HydrophobicContact CE2-CG 4.48Å; F147-E149 HydrophobicContact CZ-CG 3.78Å
148I98.6Very high98Very high29 Ų2957 Ų5715%0.14928%0.279CS..EExtended strand (participates in β ladder)trans-132.3143173.6-70.5-66.1000109.6M118 L119 V120 G121 A150 G157 A161M118-I148 HydrophobicContact CE-CG1 4.18Å; M118-I148 HydrophobicContact SD-CB 4.32Å; M118-I148 HydrophobicContact SD-CG1 4.14Å; L119-I148 PolarHBondContact O-N 3.45Å; V120-I148 VanDerWaalsContact CA-O 3.28Å; V120-I148 WeakPolarHBondContact CA-O 3.4Å; G121-I148 PolarHBondContact N-O 3.36Å; I148-A150 HydrophobicContact CG2-CB 4.45Å; I148-G157 WeakPolarHBondContact CG2-O 3.39Å; I148-A161 HydrophobicContact CB-CB 4.29Å; I148-A161 HydrophobicContact CG2-CB 4.15Å
149E98.6Very high98Very high28 Ų2853 Ų5313%0.13126%0.262CS..EExtended strand (participates in β ladder)trans-96.2138.1161.8-76.6-160.2157.300109G121 I124 R129 R133 F147G121-E149 CarbonylContact O-C 3.36Å; G121-E149 WeakPolarHBondContact O-CA 3.37Å; I124-E149 HydrophobicContact CD1-CB 4.32Å; I124-E149 HydrophobicContact CG2-CB 3.75Å; I124-E149 HydrophobicContact CG2-CG 4.22Å; R129-E149 IonicContact CZ-OE1 3.36Å; R129-E149 IonicContact CZ-OE2 3.18Å; R129-E149 IonicContact NH1-OE1 3.25Å; R129-E149 PolarHBondContact NH1-OE1 2.99Å; R129-E149 IonicContact NH1-OE2 3.25Å; R129-E149 IonicContact NH2-OE1 2.73Å; R129-E149 PolarHBondContact NH2-OE1 3.5Å; R129-E149 IonicContact NH2-OE2 3.69Å; R129-E149 PolarHBondContact NH2-OE2 2.73Å; R133-E149 VanDerWaalsContact CA-OE1 3.3Å; R133-E149 WeakPolarHBondContact CA-OE1 3.16Å; R133-E149 VanDerWaalsContact CB-OE1 3.3Å; R133-E149 WeakPolarHBondContact CB-OE1 3.11Å; R133-E149 HydrophobicContact CG-CG 4.09Å; F147-E149 HydrophobicContact CE1-CG 4.31Å; F147-E149 HydrophobicContact CE2-CG 4.48Å; F147-E149 HydrophobicContact CZ-CG 3.78Å
150A98.7Very high97.9Very high0 Ų054.7 Ų54.70%028%0.276CS..EExtended strand (participates in β ladder)trans-140.2160.6-173.100000113.1L24 V120 G121 N122 K123 I124 I148 D156 V158L24-A150 HydrophobicContact CD2-CB 4.08Å; V120-A150 HydrophobicContact CG1-CB 3.76Å; G121-A150 PolarHBondContact O-N 2.85Å; N122-A150 CarbonylContact C-O 3.47Å; N122-A150 VanDerWaalsContact CA-O 3.25Å; N122-A150 WeakPolarHBondContact CA-O 3.36Å; N122-A150 PolarHBondContact OD1-O 3.36Å; K123-A150 PolarHBondContact N-O 3.4Å; I124-A150 PolarHBondContact N-O 3.3Å; I148-A150 HydrophobicContact CG2-CB 4.45Å; A150-D156 CarbonylContact C-O 3.45Å; A150-D156 WeakPolarHBondContact CA-O 3.21Å; A150-D156 WeakPolarHBondContact CB-O 3.26Å; A150-V158 HydrophobicContact CB-CG2 4.45Å
151S98.5Very high97.9Very high0 Ų054.8 Ų54.80%028%0.277CS..  trans-135.3115.81631730000109.8D125 K153 T154 K155 D156 V158D125-S151 VanDerWaalsContact CG-OG 3.26Å; D125-S151 VanDerWaalsContact OD1-CB 3.31Å; D125-S151 WeakPolarHBondContact OD1-CB 3.22Å; D125-S151 PolarHBondContact OD1-OG 2.88Å; S151-K153 PolarHBondContact O-N 2.86Å; S151-K153 WeakPolarHBondContact OG-CB 2.82Å; S151-K153 PolarHBondContact OG-N 3.27Å; S151-K153 VanDerWaalsContact OG-N 3.15Å; S151-T154 WeakPolarHBondContact CB-OG1 3.33Å; S151-T154 PolarHBondContact OG-N 3.25Å; S151-T154 VanDerWaalsContact OG-N 3.15Å; S151-T154 PolarHBondContact OG-OG1 2.66Å; S151-K155 CarbonylContact O-C 3.55Å; S151-K155 VanDerWaalsContact O-CA 3.29Å; S151-K155 WeakPolarHBondContact O-CA 3.48Å; S151-K155 PolarHBondContact O-N 2.68Å; S151-D156 PolarHBondContact N-O 2.83Å; S151-D156 PolarHBondContact O-N 3.38Å; S151-V158 WeakPolarHBondContact O-CG2 3.23Å
152A98.1Very high97.9Very high3 Ų346.3 Ų46.33%0.02525%0.245CC..THydrogen-bonded Turntrans-59-26.3169.400000112.9L24 R27 F33 N122L24-A152 HydrophobicContact CD2-CB 4.08Å; L24-A152 HydrophobicContact CG-CB 4.31Å; R27-A152 HydrophobicContact CB-CB 4.45Å; R27-A152 PolarHBondContact NE-O 3.34Å; F33-A152 HydrophobicContact CD2-CB 4.17Å; F33-A152 HydrophobicContact CE2-CB 4.36Å; N122-A152 PolarHBondContact OD1-N 2.9Å
153K97.9Very high97.9Very high120 Ų12043 Ų4352%0.52223%0.231SC..THydrogen-bonded Turntrans-76.1-49.5-177.8-172.5-170.6-177.5-176.40111.6F33 D125 S151F33-K153 HydrophobicContact CD1-CG 4.21Å; F33-K153 HydrophobicContact CD2-CB 4.38Å; F33-K153 HydrophobicContact CE1-CB 4.27Å; F33-K153 HydrophobicContact CE1-CG 3.94Å; F33-K153 HydrophobicContact CE2-CB 4.14Å; F33-K153 HydrophobicContact CZ-CB 4.08Å; F33-K153 HydrophobicContact CZ-CG 4.2Å; D125-K153 WeakPolarHBondContact OD2-CD 3.33Å; D125-K153 IonicContact OD2-NZ 2.66Å; S151-K153 PolarHBondContact O-N 2.86Å; S151-K153 WeakPolarHBondContact OG-CB 2.82Å; S151-K153 PolarHBondContact OG-N 3.27Å; S151-K153 VanDerWaalsContact OG-N 3.15Å
154T97.8Very high97.9Very high64 Ų6444.7 Ų44.739%0.39324%0.24SC..THydrogen-bonded Turntrans-93.8-3-177.362.50000113.6D125 S151 D156D125-T154 HydrophobicContact CB-CG2 3.79Å; S151-T154 WeakPolarHBondContact CB-OG1 3.33Å; S151-T154 PolarHBondContact OG-N 3.25Å; S151-T154 VanDerWaalsContact OG-N 3.15Å; S151-T154 PolarHBondContact OG-OG1 2.66Å; T154-D156 WeakPolarHBondContact CB-OD2 3.31Å; T154-D156 PolarHBondContact O-N 3.08Å; T154-D156 VanDerWaalsContact OG1-CG 3.29Å; T154-D156 PolarHBondContact OG1-OD2 3.29Å
155K97.9Very high98Very high101 Ų10139.3 Ų39.344%0.43920%0.202SC..  trans74.7-6.6-176.1-37.2-169.1-173.8-165.60114.8R27 D31 S151 G157 V158R27-K155 VanDerWaalsContact NH1-CE 3.26Å; D31-K155 WeakPolarHBondContact OD1-CD 3.4Å; D31-K155 VanDerWaalsContact OD1-CE 3.24Å; D31-K155 WeakPolarHBondContact OD1-CE 3.3Å; D31-K155 IonicContact OD1-NZ 2.74Å; D31-K155 PolarHBondContact OD1-NZ 2.86Å; D31-K155 IonicContact OD2-NZ 3.63Å; D31-K155 PolarHBondContact OD2-NZ 2.93Å; S151-K155 CarbonylContact O-C 3.55Å; S151-K155 VanDerWaalsContact O-CA 3.29Å; S151-K155 WeakPolarHBondContact O-CA 3.48Å; S151-K155 PolarHBondContact O-N 2.68Å; K155-G157 PolarHBondContact O-N 3.42Å; K155-V158 PolarHBondContact O-N 3.24Å
156D98.4Very high98Very high88 Ų8838.5 Ų38.547%0.47120%0.198SC..THydrogen-bonded Turntrans-57.6131.9-177.4-64.1-42.1000111.1I124 A150 S151 T154 V158I124-D156 HydrophobicContact CD1-CB 4.24Å; A150-D156 CarbonylContact C-O 3.45Å; A150-D156 WeakPolarHBondContact CA-O 3.21Å; A150-D156 WeakPolarHBondContact CB-O 3.26Å; S151-D156 PolarHBondContact N-O 2.83Å; S151-D156 PolarHBondContact O-N 3.38Å; T154-D156 WeakPolarHBondContact CB-OD2 3.31Å; T154-D156 PolarHBondContact O-N 3.08Å; T154-D156 VanDerWaalsContact OG1-CG 3.29Å; T154-D156 PolarHBondContact OG1-OD2 3.29Å; D156-V158 PolarHBondContact O-N 2.76Å
157G97.9Very high97.8Very high22 Ų2239.4 Ų39.423%0.22720%0.201CC..THydrogen-bonded Turntrans68.5-10.4175.800000116.5I148 K155 A161I148-G157 WeakPolarHBondContact CG2-O 3.39Å; K155-G157 PolarHBondContact O-N 3.42Å; G157-A161 WeakPolarHBondContact O-CB 3.18Å; G157-A161 PolarHBondContact O-N 3.06Å
158V98.3Very high97.7Very high3 Ų342.7 Ų42.72%0.01822%0.215CC..Hα-helixtrans-64-53.5-173.8-177.70000111.1L24 R27 F28 A150 S151 K155 D156 C160 A161 F162L24-V158 HydrophobicContact CD2-CB 4.49Å; L24-V158 HydrophobicContact CD2-CG1 4.29Å; L24-V158 HydrophobicContact CD2-CG2 3.7Å; R27-V158 HydrophobicContact CB-CG1 4.21Å; R27-V158 HydrophobicContact CG-CB 4.12Å; R27-V158 HydrophobicContact CG-CG1 3.88Å; R27-V158 HydrophobicContact CG-CG2 3.94Å; F28-V158 HydrophobicContact CB-CG1 3.99Å; A150-V158 HydrophobicContact CB-CG2 4.45Å; S151-V158 WeakPolarHBondContact O-CG2 3.23Å; K155-V158 PolarHBondContact O-N 3.24Å; D156-V158 PolarHBondContact O-N 2.76Å; V158-C160 PolarHBondContact O-N 2.94Å; V158-A161 PolarHBondContact O-N 3.27Å; V158-F162 HydrophobicContact CG1-CE2 4.3Å; V158-F162 WeakPolarHBondContact O-CD2 3.26Å
159Q97.3Very high97.5Very high70 Ų7041.3 Ų41.333%0.32721%0.208SC..Hα-helixtrans-62.3-45.2-178.6-172.465.51900111.4F28 A161 F162 E163F28-Q159 VanDerWaalsContact CD2-OE1 3.28Å; Q159-A161 VanDerWaalsContact C-N 3.31Å; Q159-A161 PolarHBondContact O-N 3.29Å; Q159-F162 PolarHBondContact O-N 3.16Å; Q159-E163 HydrophobicContact CG-CG 4.28Å; Q159-E163 WeakPolarHBondContact CG-OE1 3.49Å; Q159-E163 PolarHBondContact NE2-OE1 3.08Å; Q159-E163 WeakPolarHBondContact O-CG 3.33Å; Q159-E163 PolarHBondContact O-N 3.02Å
160C97.7Very high97.2Very high57 Ų5741 Ų4139%0.38521%0.208SC..Hα-helixtrans-59.4-39.7178.8-55.90000112.3V158 F162 E163 E164V158-C160 PolarHBondContact O-N 2.94Å; C160-F162 VanDerWaalsContact C-N 3.3Å; C160-F162 PolarHBondContact O-N 3.01Å; C160-E163 PolarHBondContact O-N 3.33Å; C160-E164 WeakPolarHBondContact O-CB 3.28Å; C160-E164 WeakPolarHBondContact O-CG 3.49Å; C160-E164 PolarHBondContact O-N 3.32Å
161A98.3Very high96.8Very high3 Ų345.9 Ų45.93%0.02523%0.23CC..Hα-helixtrans-60.2-38.7179.600000112.9M118 V120 I148 G157 V158 Q159 L165M118-A161 WeakPolarHBondContact CE-O 3.4Å; V120-A161 HydrophobicContact CG2-CB 4.02Å; I148-A161 HydrophobicContact CB-CB 4.29Å; I148-A161 HydrophobicContact CG2-CB 4.15Å; G157-A161 WeakPolarHBondContact O-CB 3.18Å; G157-A161 PolarHBondContact O-N 3.06Å; V158-A161 PolarHBondContact O-N 3.27Å; Q159-A161 VanDerWaalsContact C-N 3.31Å; Q159-A161 PolarHBondContact O-N 3.29Å; A161-L165 WeakPolarHBondContact O-CB 3.41Å
162F97.8Very high96.2Very high4 Ų447.6 Ų47.62%0.01824%0.241CC..Hα-helixtrans-79.4-40.5176.7-72.8-89.6000112L11 I13 F28 I61 I85 V158 Q159 C160 V166L11-F162 HydrophobicContact CD1-CD1 4.35Å; I13-F162 HydrophobicContact CD1-CE1 4.26Å; I13-F162 HydrophobicContact CD1-CZ 4.02Å; F28-F162 HydrophobicContact CB-CD2 3.85Å; F28-F162 HydrophobicContact CB-CE2 3.6Å; F28-F162 HydrophobicContact CB-CZ 4.13Å; F28-F162 AromaticContact CD1-CD1 3.88Å; F28-F162 HydrophobicContact CD1-CD1 3.88Å; F28-F162 AromaticContact CD1-CD2 3.99Å; F28-F162 HydrophobicContact CD1-CD2 3.99Å; F28-F162 AromaticContact CD1-CE1 3.96Å; F28-F162 HydrophobicContact CD1-CE1 3.96Å; F28-F162 HydrophobicContact CD1-CE2 4.09Å; F28-F162 AromaticContact CD1-CG 3.9Å; F28-F162 HydrophobicContact CD1-CG 3.9Å; F28-F162 HydrophobicContact CD1-CZ 4.07Å; F28-F162 HydrophobicContact CD2-CB 3.92Å; F28-F162 AromaticContact CD2-CD2 3.56Å; F28-F162 HydrophobicContact CD2-CD2 3.56Å; F28-F162 HydrophobicContact CD2-CE2 4.21Å; F28-F162 AromaticContact CD2-CG 3.77Å; F28-F162 HydrophobicContact CD2-CG 3.77Å; F28-F162 HydrophobicContact CE1-CB 4.23Å; F28-F162 AromaticContact CE1-CD1 3.81Å; F28-F162 HydrophobicContact CE1-CD1 3.81Å; F28-F162 HydrophobicContact CE1-CD2 4.44Å; F28-F162 HydrophobicContact CE1-CE1 4.27Å; F28-F162 AromaticContact CE1-CG 3.92Å; F28-F162 HydrophobicContact CE1-CG 3.92Å; F28-F162 HydrophobicContact CE2-CB 3.51Å; F28-F162 HydrophobicContact CE2-CD2 4.07Å; F28-F162 AromaticContact CE2-CG 3.8Å; F28-F162 HydrophobicContact CE2-CG 3.8Å; F28-F162 HydrophobicContact CG-CB 4.45Å; F28-F162 HydrophobicContact CG-CD1 4.26Å; F28-F162 AromaticContact CG-CD2 3.52Å; F28-F162 HydrophobicContact CG-CD2 3.52Å; F28-F162 HydrophobicContact CG-CE1 4.41Å; F28-F162 AromaticContact CG-CE2 3.71Å; F28-F162 HydrophobicContact CG-CE2 3.71Å; F28-F162 AromaticContact CG-CG 3.83Å; F28-F162 HydrophobicContact CG-CG 3.83Å; F28-F162 HydrophobicContact CG-CZ 4.16Å; F28-F162 HydrophobicContact CZ-CB 3.7Å; F28-F162 HydrophobicContact CZ-CD1 4.16Å; F28-F162 HydrophobicContact CZ-CD2 4.49Å; F28-F162 AromaticContact CZ-CG 3.88Å; F28-F162 HydrophobicContact CZ-CG 3.88Å; I61-F162 HydrophobicContact CD1-CD1 4.35Å; I61-F162 HydrophobicContact CD1-CE1 4.06Å; I61-F162 HydrophobicContact CG2-CE1 4.48Å; I85-F162 HydrophobicContact CD1-CD1 3.7Å; I85-F162 HydrophobicContact CD1-CE1 3.41Å; I85-F162 VanDerWaalsContact CD1-CE1 3.41Å; I85-F162 HydrophobicContact CD1-CE2 4.38Å; I85-F162 HydrophobicContact CD1-CG 4.31Å; I85-F162 HydrophobicContact CD1-CZ 3.79Å; V158-F162 HydrophobicContact CG1-CE2 4.3Å; V158-F162 WeakPolarHBondContact O-CD2 3.26Å; Q159-F162 PolarHBondContact O-N 3.16Å; C160-F162 VanDerWaalsContact C-N 3.3Å; C160-F162 PolarHBondContact O-N 3.01Å; F162-V166 WeakPolarHBondContact O-CB 3.1Å; F162-V166 WeakPolarHBondContact O-CG2 3.3Å; F162-V166 PolarHBondContact O-N 3.36Å
163E96.9Very high95.1Very high70 Ų7052 Ų5233%0.32727%0.269SS..Hα-helixtrans-64.8-50.2-180-74.4176.3168.800112.2L50 I52 Q159 C160 L165 V166 E167L50-E163 HydrophobicContact CD1-CG 4.18Å; I52-E163 HydrophobicContact CD1-CB 4.38Å; I52-E163 HydrophobicContact CD1-CG 4.43Å; Q159-E163 HydrophobicContact CG-CG 4.28Å; Q159-E163 WeakPolarHBondContact CG-OE1 3.49Å; Q159-E163 PolarHBondContact NE2-OE1 3.08Å; Q159-E163 WeakPolarHBondContact O-CG 3.33Å; Q159-E163 PolarHBondContact O-N 3.02Å; C160-E163 PolarHBondContact O-N 3.33Å; E163-L165 VanDerWaalsContact C-N 3.28Å; E163-L165 PolarHBondContact O-N 3.15Å; E163-V166 PolarHBondContact O-N 2.7Å; E163-V166 VanDerWaalsContact O-N 3.15Å; E163-E167 WeakPolarHBondContact O-CB 3.39Å; E163-E167 PolarHBondContact O-N 3.44Å
164E97.5Very high94.2Very high74 Ų7447.4 Ų47.435%0.34626%0.256SS..Hα-helixtrans-62.7-36.7179.4-70.7-176.6-162.100111.9M118 L146 C160 K168M118-E164 HydrophobicContact CE-CB 3.91Å; L146-E164 HydrophobicContact CD1-CB 4.4Å; C160-E164 WeakPolarHBondContact O-CB 3.28Å; C160-E164 WeakPolarHBondContact O-CG 3.49Å; C160-E164 PolarHBondContact O-N 3.32Å; E164-K168 VanDerWaalsContact O-CB 3.24Å; E164-K168 WeakPolarHBondContact O-CB 3.29Å; E164-K168 PolarHBondContact O-N 3.08Å
165L97.5Very high93.3Very high0 Ų044.4 Ų44.40%024%0.237CC..Hα-helixtrans-62.9-48.3174.4175.660.5000111L11 I85 V116 M118 A161 E163 K168 I169L11-L165 HydrophobicContact CD1-CD2 4.35Å; L11-L165 HydrophobicContact CD2-CD2 4.11Å; I85-L165 HydrophobicContact CD1-CD2 3.92Å; I85-L165 HydrophobicContact CG1-CD2 3.44Å; I85-L165 VanDerWaalsContact CG1-CD2 3.44Å; V116-L165 HydrophobicContact CB-CD1 3.86Å; V116-L165 HydrophobicContact CG1-CD1 3.55Å; M118-L165 HydrophobicContact CB-CB 4.37Å; M118-L165 HydrophobicContact CB-CD1 4.2Å; M118-L165 HydrophobicContact CB-CD2 4.34Å; M118-L165 HydrophobicContact CE-CB 4.5Å; A161-L165 WeakPolarHBondContact O-CB 3.41Å; E163-L165 VanDerWaalsContact C-N 3.28Å; E163-L165 PolarHBondContact O-N 3.15Å; L165-K168 PolarHBondContact O-N 3.25Å; L165-I169 HydrophobicContact CD1-CD1 4.07Å; L165-I169 HydrophobicContact CD1-CG1 4.44Å; L165-I169 HydrophobicContact CG-CD1 4.02Å; L165-I169 WeakPolarHBondContact O-CD1 3.35Å; L165-I169 VanDerWaalsContact O-CG1 3.26Å; L165-I169 WeakPolarHBondContact O-CG1 3.4Å; L165-I169 PolarHBondContact O-N 2.71Å
166V96.4Very high92.3Very high1 Ų141.8 Ų41.81%0.00623%0.225CC..Hα-helixtrans-68-43.1-178.3172.90000111.2L9 L11 L50 I52 A57 L59 F162 E163 K168 I169 L170L9-V166 HydrophobicContact CD1-CG1 3.74Å; L9-V166 HydrophobicContact CD1-CG2 4.43Å; L11-V166 HydrophobicContact CD1-CG2 4.22Å; L50-V166 HydrophobicContact CD1-CG2 4.46Å; I52-V166 HydrophobicContact CD1-CB 3.61Å; I52-V166 HydrophobicContact CD1-CG1 3.49Å; I52-V166 VanDerWaalsContact CD1-CG1 3.49Å; A57-V166 HydrophobicContact CB-CG1 4.27Å; L59-V166 HydrophobicContact CD1-CG2 3.9Å; L59-V166 HydrophobicContact CD2-CG1 4.24Å; L59-V166 HydrophobicContact CD2-CG2 3.48Å; L59-V166 VanDerWaalsContact CD2-CG2 3.48Å; L59-V166 HydrophobicContact CG-CG2 4.34Å; F162-V166 WeakPolarHBondContact O-CB 3.1Å; F162-V166 WeakPolarHBondContact O-CG2 3.3Å; F162-V166 PolarHBondContact O-N 3.36Å; E163-V166 PolarHBondContact O-N 2.7Å; E163-V166 VanDerWaalsContact O-N 3.15Å; V166-K168 VanDerWaalsContact C-N 3.3Å; V166-K168 PolarHBondContact O-N 3.03Å; V166-I169 WeakPolarHBondContact O-CB 3.26Å; V166-I169 PolarHBondContact O-N 2.73Å; V166-L170 HydrophobicContact CG1-CD1 4.05Å; V166-L170 HydrophobicContact CG1-CG 4.34Å; V166-L170 WeakPolarHBondContact O-CG 3.27Å; V166-L170 PolarHBondContact O-N 2.9Å
167E95.6Very high91.2Very high67 Ų6742.5 Ų42.531%0.31323%0.225SC..Hα-helixtrans-55.5-48.1174.6-170.4-168.3154.100110.4I52 E163 I169 L170 Q171I52-E167 HydrophobicContact CG2-CB 4.09Å; I52-E167 HydrophobicContact CG2-CG 4.12Å; E163-E167 WeakPolarHBondContact O-CB 3.39Å; E163-E167 PolarHBondContact O-N 3.44Å; E167-I169 VanDerWaalsContact C-N 3.32Å; E167-I169 PolarHBondContact O-N 2.71Å; E167-L170 PolarHBondContact O-N 3.29Å; E167-L170 VanDerWaalsContact O-N 3.16Å; E167-Q171 WeakPolarHBondContact O-CB 3.21Å; E167-Q171 WeakPolarHBondContact O-CG 3.24Å; E167-Q171 PolarHBondContact O-N 3.15Å; E167-Q171 PolarHBondContact OE1-NE2 3.07Å
168K95.6Very high89.2Confident93 Ų9344.9 Ų44.940%0.40424%0.238SC..Hα-helixtrans-64.1-35.8179.1-173.761.41761780113.1V116 L146 E164 L165 V166 T172V116-K168 HydrophobicContact CG1-CB 3.9Å; V116-K168 HydrophobicContact CG1-CG 3.52Å; V116-K168 HydrophobicContact CG2-CG 4.23Å; L146-K168 HydrophobicContact CD1-CB 3.94Å; L146-K168 HydrophobicContact CD1-CG 4.23Å; E164-K168 VanDerWaalsContact O-CB 3.24Å; E164-K168 WeakPolarHBondContact O-CB 3.29Å; E164-K168 PolarHBondContact O-N 3.08Å; L165-K168 PolarHBondContact O-N 3.25Å; V166-K168 VanDerWaalsContact C-N 3.3Å; V166-K168 PolarHBondContact O-N 3.03Å; K168-T172 PolarHBondContact O-N 2.88Å; K168-T172 PolarHBondContact O-OG1 2.96Å
169I94.5Very high87Confident0 Ų050.9 Ų50.90%027%0.27CS..Hα-helixtrans-63.8-47.5172.9-71.4164.4000110.5L9 L11 Q82 V116 L165 V166 E167 Q171 T172 L175 W176L9-I169 HydrophobicContact CD1-CB 4.35Å; L9-I169 HydrophobicContact CD1-CG2 3.77Å; L9-I169 HydrophobicContact CD2-CG2 3.71Å; L9-I169 HydrophobicContact CG-CG2 4.34Å; L11-I169 HydrophobicContact CD2-CD1 3.66Å; Q82-I169 HydrophobicContact CB-CG2 4.47Å; V116-I169 HydrophobicContact CB-CG1 3.75Å; V116-I169 HydrophobicContact CG1-CG1 4.46Å; V116-I169 HydrophobicContact CG2-CB 4.46Å; V116-I169 HydrophobicContact CG2-CG1 3.63Å; L165-I169 HydrophobicContact CD1-CD1 4.07Å; L165-I169 HydrophobicContact CD1-CG1 4.44Å; L165-I169 HydrophobicContact CG-CD1 4.02Å; L165-I169 WeakPolarHBondContact O-CD1 3.35Å; L165-I169 VanDerWaalsContact O-CG1 3.26Å; L165-I169 WeakPolarHBondContact O-CG1 3.4Å; L165-I169 PolarHBondContact O-N 2.71Å; V166-I169 WeakPolarHBondContact O-CB 3.26Å; V166-I169 PolarHBondContact O-N 2.73Å; E167-I169 VanDerWaalsContact C-N 3.32Å; E167-I169 PolarHBondContact O-N 2.71Å; I169-Q171 VanDerWaalsContact C-N 3.28Å; I169-Q171 PolarHBondContact O-N 3.5Å; I169-T172 PolarHBondContact O-N 2.65Å; I169-L175 HydrophobicContact CB-CD2 4.09Å; I169-L175 HydrophobicContact CG1-CD2 3.84Å; I169-L175 HydrophobicContact CG2-CD2 3.67Å; I169-W176 VanDerWaalsContact O-CD1 3.24Å
170L91.9Very high84.5Confident22 Ų2254.7 Ų54.712%0.11529%0.293CS..Hα-helixtrans-63.4-35.6180-68.1175.6000111.9L6 T7 L9 V166 E167 T172 W176L6-L170 HydrophobicContact CD2-CD2 4.12Å; T7-L170 HydrophobicContact CG2-CD2 4.03Å; L9-L170 HydrophobicContact CD1-CD2 4.42Å; V166-L170 HydrophobicContact CG1-CD1 4.05Å; V166-L170 HydrophobicContact CG1-CG 4.34Å; V166-L170 WeakPolarHBondContact O-CG 3.27Å; V166-L170 PolarHBondContact O-N 2.9Å; E167-L170 PolarHBondContact O-N 3.29Å; E167-L170 VanDerWaalsContact O-N 3.16Å; L170-T172 PolarHBondContact O-N 2.8Å; L170-W176 HydrophobicContact CD2-CD2 4.23Å; L170-W176 HydrophobicContact CD2-CG 4.38Å; L170-W176 PolarHBondContact O-NE1 3.26Å
171Q90.8Very high81.8Confident101 Ų10160.5 Ų60.547%0.47231%0.314SS..THydrogen-bonded Turntrans-74.5-0.2173.6-68.9172.4300114.4E167 I169 P173E167-Q171 WeakPolarHBondContact O-CB 3.21Å; E167-Q171 WeakPolarHBondContact O-CG 3.24Å; E167-Q171 PolarHBondContact O-N 3.15Å; E167-Q171 PolarHBondContact OE1-NE2 3.07Å; I169-Q171 VanDerWaalsContact C-N 3.28Å; I169-Q171 PolarHBondContact O-N 3.5Å; Q171-P173 VanDerWaalsContact O-CD 3.25Å; Q171-P173 WeakPolarHBondContact O-CD 3.45Å
172T86.6Confident79.1Confident37 Ų3763.4 Ų63.423%0.22734%0.344CS..SBendtrans-109.990.8177.1-540000109.6K168 I169 L170 L175K168-T172 PolarHBondContact O-N 2.88Å; K168-T172 PolarHBondContact O-OG1 2.96Å; I169-T172 PolarHBondContact O-N 2.65Å; L170-T172 PolarHBondContact O-N 2.8Å; T172-L175 HydrophobicContact CG2-CB 4.43Å; T172-L175 WeakPolarHBondContact O-CB 3.09Å; T172-L175 PolarHBondContact O-N 3.45Å
173P75.6Confident76.5Confident95 Ų9572.1 Ų72.162%0.61739%0.385SS*.THydrogen-bonded Turntrans-54.7145.9177.3-24.833.7000111.8Q171 L175Q171-P173 VanDerWaalsContact O-CD 3.25Å; Q171-P173 WeakPolarHBondContact O-CD 3.45Å; P173-L175 VanDerWaalsContact C-N 3.32Å; P173-L175 PolarHBondContact O-N 2.97Å
174G78.5Confident73.5Confident23 Ų2378.1 Ų78.124%0.23741%0.41CS..THydrogen-bonded Turntrans82.9-13.3-175.100000116.5R112 E177R112-G174 PolarHBondContact NH2-O 3.37Å; G174-E177 PolarHBondContact N-OE2 2.6Å
175L78.8Confident70.8Confident2 Ų280.6 Ų80.61%0.0143%0.43CS..SBendtrans-79.3-31.1175.8-151.178.6000112.8Q82 D114 V116 I169 T172 P173Q82-L175 HydrophobicContact CB-CD2 3.93Å; Q82-L175 HydrophobicContact CB-CG 4.14Å; Q82-L175 HydrophobicContact CG-CG 4.21Å; Q82-L175 WeakPolarHBondContact CG-O 3.32Å; Q82-L175 PolarHBondContact NE2-O 3.25Å; Q82-L175 VanDerWaalsContact NE2-O 3.07Å; Q82-L175 VanDerWaalsContact O-CD2 3.24Å; Q82-L175 WeakPolarHBondContact O-CD2 3.36Å; D114-L175 HydrophobicContact CB-CD1 3.91Å; D114-L175 WeakPolarHBondContact O-CD1 3.41Å; D114-L175 WeakPolarHBondContact OD1-CD1 3.41Å; D114-L175 VanDerWaalsContact OD2-CD1 3.23Å; D114-L175 WeakPolarHBondContact OD2-CD1 3.5Å; V116-L175 HydrophobicContact CG2-CD2 3.95Å; I169-L175 HydrophobicContact CB-CD2 4.09Å; I169-L175 HydrophobicContact CG1-CD2 3.84Å; I169-L175 HydrophobicContact CG2-CD2 3.67Å; T172-L175 HydrophobicContact CG2-CB 4.43Å; T172-L175 WeakPolarHBondContact O-CB 3.09Å; T172-L175 PolarHBondContact O-N 3.45Å; P173-L175 VanDerWaalsContact C-N 3.32Å; P173-L175 PolarHBondContact O-N 2.97Å
176W76.7Confident68.1Low46 Ų4689.5 Ų89.517%0.17447%0.472CS..SBendtrans-129.5-9.4-171.960.6-91.8000114.3L6 T7 L9 I169 L170L6-W176 HydrophobicContact CD1-CH2 4.16Å; L6-W176 HydrophobicContact CD1-CZ3 3.84Å; L6-W176 HydrophobicContact CD2-CH2 3.85Å; L6-W176 HydrophobicContact CD2-CZ3 3.86Å; L6-W176 HydrophobicContact CG-CE3 4.43Å; L6-W176 HydrophobicContact CG-CH2 4.2Å; L6-W176 HydrophobicContact CG-CZ3 3.75Å; T7-W176 HydrophobicContact CG2-CB 4.08Å; T7-W176 HydrophobicContact CG2-CD2 4.26Å; T7-W176 HydrophobicContact CG2-CE3 3.89Å; T7-W176 HydrophobicContact CG2-CG 4.38Å; T7-W176 PolarHBondContact OG1-O 2.88Å; L9-W176 HydrophobicContact CD2-CB 3.65Å; I169-W176 VanDerWaalsContact O-CD1 3.24Å; L170-W176 HydrophobicContact CD2-CD2 4.23Å; L170-W176 HydrophobicContact CD2-CG 4.38Å; L170-W176 PolarHBondContact O-NE1 3.26Å
177E74.5Confident65.3Low103 Ų10397 Ų9748%0.48151%0.511SS..SBendtrans-79.9-21.6-178.2-64.6171.9145.600112.8G174G174-E177 PolarHBondContact N-OE2 2.6Å
178S57.3Low62.5Low71 Ų7196.9 Ų96.950%0.49753%0.528SS..G310 helixtrans-81.9-12.6-169-510000115.8N180S178-N180 VanDerWaalsContact C-N 3.28Å; S178-N180 PolarHBondContact O-N 3.32Å
179D52.4Low59.8Low130 Ų130101.4 Ų101.470%0.69555%0.551SS**G310 helixtrans-80.9-5.2-179.5-88.3-19.8000113.9
180N44.2Very low57.1Low150 Ų150110.3 Ų110.380%0.80259%0.592SS**G310 helixtrans-90.5-4.5176.8-108.7-21.9000114.7S178S178-N180 VanDerWaalsContact C-N 3.28Å; S178-N180 PolarHBondContact O-N 3.32Å
181Q40.6Very low54.5Low178 Ų178118.1 Ų118.183%0.83263%0.628SS**G310 helixtrans-94.45.6177.9-75.3-172.613.200114.2Q183Q181-Q183 PolarHBondContact O-N 3.36Å
182G42.7Very low51.9Low64 Ų64122 Ų12266%0.6665%0.647SS**SBendtrans-90.933.5-176.200000116.6
183Q41.5Very low49.5Very low187 Ų187127.8 Ų127.887%0.87468%0.676SS**SBendtrans-171.664.5162.1-111.317526.500113.6Q181Q181-Q183 PolarHBondContact O-N 3.36Å
184K33.9Very low47.6Very low196 Ų196134.2 Ų134.285%0.85269%0.688SS**  trans-132.884.7151-88.5-172.4178.5175.90108.7Q186K184-Q186 PolarHBondContact O-N 3.29Å
185V41.1Very low45.4Very low127 Ų127136.4 Ų136.477%0.7771%0.71SS**  trans-64.4103159.2-179.50000105.9L187V185-L187 VanDerWaalsContact C-N 3.27Å; V185-L187 HydrophobicContact CG1-CG 4.32Å; V185-L187 PolarHBondContact O-N 3.25Å
186Q41.5Very low43.2Very low187 Ų187148.1 Ų148.187%0.87476%0.755SS**  trans-67.593.7163.4-87174.6-12.800107.2K184 G188K184-Q186 PolarHBondContact O-N 3.29Å; Q186-G188 PolarHBondContact O-N 3.48Å
187L38.3Very low41.2Very low157 Ų157150.1 Ų150.182%0.82278%0.781SS**  trans-6593.7160-80.3156.6000106.6V185 Q189V185-L187 VanDerWaalsContact C-N 3.27Å; V185-L187 HydrophobicContact CG1-CG 4.32Å; V185-L187 PolarHBondContact O-N 3.25Å; L187-Q189 PolarHBondContact O-N 3.24Å
188G36.6Very low39.1Very low66 Ų66151.5 Ų151.568%0.6880%0.801SS**  trans-54.8119.5164.800000108.2Q186 Q190Q186-G188 PolarHBondContact O-N 3.48Å; G188-Q190 PolarHBondContact O-N 2.75Å
189Q38.2Very low37.9Very low188 Ų188152 Ų15288%0.87982%0.816SS**  trans-57.7105.9170.8-74.2169.9-35.600107.9L187 E191L187-Q189 PolarHBondContact O-N 3.24Å; Q189-E191 PolarHBondContact O-N 3.14Å; Q189-E191 VanDerWaalsContact O-N 3.15Å
190Q36.8Very low37.2Very low186 Ų186148.9 Ų148.987%0.86982%0.815SS**  trans-72.598.9159-85.3-176.8-17.900106.8G188 Q192G188-Q190 PolarHBondContact O-N 2.75Å; Q190-Q192 PolarHBondContact O-N 2.99Å
191E38.8Very low37Very low186 Ų186153.1 Ų153.187%0.86982%0.822SS**  trans-59.2114.8161.6-77.3179.5142.600108.4Q189 D193Q189-E191 PolarHBondContact O-N 3.14Å; Q189-E191 VanDerWaalsContact O-N 3.15Å; E191-D193 PolarHBondContact O-N 3.07Å
192Q36.5Very low36.8Very low184 Ų184150.2 Ų150.286%0.8682%0.82SS**  trans-67.8111.3162.5-73.3176.2-1.900107.5Q190Q190-Q192 PolarHBondContact O-N 2.99Å
193D35.6Very low36.7Very low158 Ų158152.5 Ų152.585%0.84583%0.826SS**  trans-113.3118156-157.86.7000110.7E191E191-D193 PolarHBondContact O-N 3.07Å
194R34.8Very low36.6Very low229 Ų229151 Ų15186%0.86482%0.822SS**  trans-90.8100.4177.1-83.2-178.4170.6-176.6-1.5108.3
195G32.4Very low37.5Very low69 Ų69150.9 Ų150.971%0.71184%0.841SS**  trans85.9124.9131.100000119.3
196R33.1Very low37.3Very low248 Ų248152.1 Ų152.194%0.93685%0.845SS**  -176122.2119.4-113.4173.9168171.1-3.8112.4
197A34.1Very low37.1Very low88 Ų88150.3 Ų150.373%0.72784%0.843SS**  trans57.3139.8131.800000123
198C31.5Very low37Very low133 Ų133149.9 Ų149.990%0.89985%0.845SS**  trans95.9107.9148.2-66.70000119.4
199G32.3Very low37Very low80 Ų80154.8 Ų154.883%0.82585%0.854SS**  115.695.5119.900000118.2
200G36.9Very low37Very low65 Ų65152.8 Ų152.867%0.6785%0.853SS**  76.5117.3116.600000121.3
201Y40.8Very low37Very low240 Ų240150.5 Ų150.594%0.94185%0.852SS**  trans94.4122.2138.8-65.3-79.9000121.8
202C36.4Very low36.9Very low116 Ų116148 Ų14878%0.78485%0.85SS**  trans-44.1151.6159.2-74.20000114.3
203S40.4Very low36.9Very low113 Ų113145.2 Ų145.279%0.7985%0.85SS**  176.5141.593.8-63.10000111.3
204I37.6Very low37Very low155 Ų155144.2 Ų144.280%0.79585%0.85SS**  trans-86.5156173.2-63.4160.7000109
205P53.5Low37.2Very low194 Ų194136.5 Ų136.5100%1.2685%0.849SS**  -116.50126.83.615.2000112.9

Retrieved 205 of 205 residues in 505.3 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).