A0A5K4F8P7_SCHMA Loading...

Ras-domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F8P7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 172 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M51.1Low84.1Confident246 Ų24666.4 Ų66.4100%1.21234%0.342SS*.  0117.80-133.3168.8-176.200106.2N3M1-N3 PolarHBondContact O-N 3.35Å
2A60Low85.2Confident56 Ų5660.8 Ų60.846%0.46331%0.314SS..  trans-61.7130.5178.200000108.8R4A2-R4 PolarHBondContact O-N 3.05Å
3N69.9Low86.2Confident107 Ų10756.2 Ų56.257%0.57229%0.289SS*.EExtended strand (participates in β ladder)trans-61.4123.6178-175.83.7000108.6M1 T56M1-N3 PolarHBondContact O-N 3.35Å; N3-T56 PolarHBondContact O-N 3.23Å
4R82.3Confident87.1Confident174 Ų17455.3 Ų55.366%0.65728%0.283SS*.EExtended strand (participates in β ladder)trans-110119-178.4-171.2179.6-175.8-177.23.1109.7A2 T56A2-R4 PolarHBondContact O-N 3.05Å; R4-T56 VanDerWaalsContact CA-O 3.3Å; R4-T56 WeakPolarHBondContact CA-O 3.25Å; R4-T56 HydrophobicContact CG-CG2 4.42Å
5S89.9Confident87.7Confident31 Ų3154.8 Ų54.822%0.21729%0.287CS..EExtended strand (participates in β ladder)trans-123.9153176.956.80000111.1H7 T56 K58S5-H7 WeakPolarHBondContact CB-NE2 3.3Å; S5-H7 PolarHBondContact OG-CD2 2.93Å; S5-H7 PolarHBondContact OG-NE2 3.27Å; S5-T56 PolarHBondContact N-O 3.17Å; S5-T56 VanDerWaalsContact N-O 3.17Å; S5-K58 PolarHBondContact O-N 2.95Å
6S92.9Very high88.3Confident50 Ų5056.3 Ų56.335%0.3531%0.31SS..EExtended strand (participates in β ladder)trans-113.8133.1173-161.10000108.2K58 E60S6-K58 CarbonylContact C-O 3.56Å; S6-K58 VanDerWaalsContact CA-O 3.27Å; S6-K58 WeakPolarHBondContact CA-O 3.39Å; S6-E60 VanDerWaalsContact OG-CD 3.24Å; S6-E60 WeakPolarHBondContact OG-CG 3.29Å; S6-E60 PolarHBondContact OG-OE2 2.95Å
7H92.7Very high88.9Confident22 Ų2253.1 Ų53.110%0.10229%0.292CS..EExtended strand (participates in β ladder)trans-130124.8-177.4-63.3-96.2000110.6S5 L9 K58 F59 E60 Q82 H169S5-H7 WeakPolarHBondContact CB-NE2 3.3Å; S5-H7 PolarHBondContact OG-CD2 2.93Å; S5-H7 PolarHBondContact OG-NE2 3.27Å; H7-L9 PolarHBondContact O-N 2.85Å; H7-K58 PolarHBondContact N-O 3.44Å; H7-F59 HydrophobicContact CB-CD1 4.19Å; H7-F59 HydrophobicContact CB-CE1 4.34Å; H7-F59 WeakPolarHBondContact O-CA 3.38Å; H7-E60 PolarHBondContact O-N 2.85Å; H7-Q82 VanDerWaalsContact CA-OE1 3.31Å; H7-H169 AromaticContact CE1-CD2 3.86Å; H7-H169 AromaticContact CE1-CE1 3.9Å; H7-H169 AromaticContact CE1-CG 3.71Å; H7-H169 AromaticContact CE1-ND1 3.74Å; H7-H169 AromaticContact CE1-NE2 3.91Å; H7-H169 AromaticContact CG-CD2 3.87Å; H7-H169 AromaticContact ND1-CD2 3.2Å; H7-H169 PolarHBondContact ND1-CD2 2.84Å; H7-H169 AromaticContact ND1-CE1 3.48Å; H7-H169 PolarHBondContact ND1-CE1 2.77Å; H7-H169 AromaticContact ND1-CG 3.53Å; H7-H169 AromaticContact ND1-ND1 3.69Å; H7-H169 AromaticContact ND1-NE2 3.1Å; H7-H169 PolarHBondContact ND1-NE2 3.4Å; H7-H169 VanDerWaalsContact ND1-NE2 3.1Å
8K94.5Very high89.4Confident44 Ų4450.8 Ų50.819%0.19128%0.282CS..EExtended strand (participates in β ladder)trans-70.2123.8172-176.8177.5173.5-1760109.4Y77 R79 A81 Q82 A83K8-Y77 WeakPolarHBondContact CE-O 3.34Å; K8-Y77 PolarHBondContact NZ-O 2.82Å; K8-R79 PolarHBondContact NZ-O 2.94Å; K8-A81 HydrophobicContact CD-CB 4.43Å; K8-A81 HydrophobicContact CG-CB 4.23Å; K8-Q82 PolarHBondContact O-N 3.48Å; K8-A83 PolarHBondContact O-N 3.19Å
9L95.9Very high89.9Confident0 Ų048.6 Ų48.60%027%0.27CS..EExtended strand (participates in β ladder)trans-122.9133.8177.3-177151.4000109.5H7 F59 E60 I61 W62 A83 V85 F162 I165H7-L9 PolarHBondContact O-N 2.85Å; L9-F59 HydrophobicContact CB-CD1 4.12Å; L9-F59 HydrophobicContact CD1-CD1 3.88Å; L9-F59 HydrophobicContact CD1-CE1 4.06Å; L9-F59 HydrophobicContact CD1-CG 4.38Å; L9-E60 PolarHBondContact N-O 3.46Å; L9-E60 VanDerWaalsContact O-O 3.12Å; L9-I61 HydrophobicContact CD2-CG1 4.41Å; L9-I61 HydrophobicContact CD2-CG2 4.08Å; L9-I61 CarbonylContact O-C 3.51Å; L9-I61 WeakPolarHBondContact O-CA 3.46Å; L9-W62 PolarHBondContact O-N 3.28Å; L9-A83 VanDerWaalsContact CA-O 3.32Å; L9-A83 WeakPolarHBondContact CA-O 3.5Å; L9-A83 HydrophobicContact CB-CB 4.48Å; L9-A83 HydrophobicContact CD1-CB 4.1Å; L9-A83 HydrophobicContact CG-CB 4.24Å; L9-V85 HydrophobicContact CD1-CG2 4.15Å; L9-V85 HydrophobicContact CD2-CG2 4.15Å; L9-V85 HydrophobicContact CG-CG2 4.45Å; L9-F162 HydrophobicContact CD1-CD1 4.02Å; L9-F162 HydrophobicContact CD1-CE1 3.79Å; L9-F162 HydrophobicContact CD2-CE1 4.07Å; L9-I165 HydrophobicContact CD1-CD1 4.23Å; L9-I165 HydrophobicContact CD1-CG2 4.32Å
10V96.9Very high90.4Very high0 Ų047.1 Ų47.10%026%0.263CS..EExtended strand (participates in β ladder)trans-111141.217267.80000109.7L12 W62 T64 A81 A83 A84 V85V10-L12 HydrophobicContact CG1-CD1 4.13Å; V10-L12 HydrophobicContact CG1-CG 4.42Å; V10-L12 HydrophobicContact CG2-CD1 4.47Å; V10-L12 HydrophobicContact CG2-CD2 4.25Å; V10-L12 HydrophobicContact CG2-CG 4.06Å; V10-W62 HydrophobicContact CG2-CB 4.33Å; V10-T64 HydrophobicContact CG2-CG2 3.69Å; V10-A81 HydrophobicContact CB-CB 4.28Å; V10-A81 HydrophobicContact CG1-CB 3.99Å; V10-A83 PolarHBondContact N-O 2.89Å; V10-A83 VanDerWaalsContact N-O 3.11Å; V10-A84 HydrophobicContact CG1-CB 3.75Å; V10-A84 CarbonylContact O-C 3.36Å; V10-A84 VanDerWaalsContact O-CA 3.3Å; V10-A84 WeakPolarHBondContact O-CA 3.31Å; V10-V85 PolarHBondContact O-N 2.99Å
11I98.5Very high90.8Very high0 Ų045.5 Ų45.50%025%0.254CS..EExtended strand (participates in β ladder)trans-113.8123.4171.4-171.8170.4000109.4K19 I22 V23 W62 D63 T64 V85 V87I11-K19 HydrophobicContact CD1-CB 3.91Å; I11-K19 HydrophobicContact CD1-CG 4.34Å; I11-K19 HydrophobicContact CG1-CB 3.98Å; I11-K19 HydrophobicContact CG1-CD 4.25Å; I11-K19 HydrophobicContact CG1-CG 4.02Å; I11-K19 HydrophobicContact CG2-CB 4.37Å; I11-I22 HydrophobicContact CD1-CG2 4.43Å; I11-V23 HydrophobicContact CD1-CG2 4.08Å; I11-V23 HydrophobicContact CG2-CG2 4.09Å; I11-W62 PolarHBondContact N-O 2.82Å; I11-D63 VanDerWaalsContact CG2-CA 3.43Å; I11-D63 HydrophobicContact CG2-CB 3.99Å; I11-T64 PolarHBondContact O-N 2.83Å; I11-T64 PolarHBondContact O-OG1 3.45Å; I11-V85 CarbonylContact C-O 3.48Å; I11-V85 VanDerWaalsContact CA-O 3.28Å; I11-V85 WeakPolarHBondContact CA-O 3.47Å; I11-V85 HydrophobicContact CB-CB 4.36Å; I11-V85 HydrophobicContact CD1-CB 4.45Å; I11-V85 HydrophobicContact CD1-CG1 4.29Å; I11-V85 HydrophobicContact CG1-CB 4.03Å; I11-V85 HydrophobicContact CG1-CG1 4.19Å; I11-V87 HydrophobicContact CD1-CG2 3.68Å; I11-V87 HydrophobicContact CG1-CG2 3.62Å
12L98.1Very high93Very high0 Ų033.8 Ų33.80%020%0.197CC..EExtended strand (participates in β ladder)trans-124.7165.1-172.9-67.8165000109.9V10 K19 T64 A74 Y78 V85 V86 V87 W102 L106V10-L12 HydrophobicContact CG1-CD1 4.13Å; V10-L12 HydrophobicContact CG1-CG 4.42Å; V10-L12 HydrophobicContact CG2-CD1 4.47Å; V10-L12 HydrophobicContact CG2-CD2 4.25Å; V10-L12 HydrophobicContact CG2-CG 4.06Å; L12-K19 VanDerWaalsContact C-CD 3.41Å; L12-K19 WeakPolarHBondContact O-CD 3.41Å; L12-T64 HydrophobicContact CD2-CG2 4.06Å; L12-A74 HydrophobicContact CD2-CB 4.21Å; L12-Y78 HydrophobicContact CD1-CD1 4.32Å; L12-V85 PolarHBondContact N-O 2.96Å; L12-V86 WeakPolarHBondContact O-CA 3.24Å; L12-V87 PolarHBondContact O-N 3.25Å; L12-W102 HydrophobicContact CB-CD2 4.19Å; L12-W102 HydrophobicContact CB-CE3 4.44Å; L12-W102 HydrophobicContact CB-CG 4.32Å; L12-W102 HydrophobicContact CD1-CE3 4.07Å; L12-W102 HydrophobicContact CD1-CZ3 4.46Å; L12-W102 HydrophobicContact CD2-CD2 4.49Å; L12-W102 HydrophobicContact CD2-CE3 4.15Å; L12-W102 HydrophobicContact CD2-CH2 4.07Å; L12-W102 HydrophobicContact CD2-CZ2 4.42Å; L12-W102 HydrophobicContact CD2-CZ3 3.95Å; L12-W102 HydrophobicContact CG-CE3 4.46Å; L12-L106 HydrophobicContact CD1-CD1 3.92Å; L12-L106 HydrophobicContact CD1-CD2 3.79Å; L12-L106 HydrophobicContact CD1-CG 4.03Å
13G98.4Very high94.9Very high0 Ų031.2 Ų31.20%018%0.175CC..  trans139.3164.6-17600000112.1K19 G66 V87G13-K19 PolarHBondContact O-NZ 3.39Å; G13-G66 WeakPolarHBondContact O-CA 3.36Å; G13-V87 WeakPolarHBondContact CA-O 3.39Å
14E97.7Very high96.2Very high44 Ų4428 Ų2821%0.20616%0.158CC..SBendtrans-58.6164.4-179.5-170.6167.8-123.400112.3V17 K19 N94 S95 R98E14-V17 HydrophobicContact CB-CG1 3.93Å; E14-V17 VanDerWaalsContact O-CG2 3.29Å; E14-V17 WeakPolarHBondContact O-CG2 3.27Å; E14-K19 PolarHBondContact O-NZ 2.87Å; E14-N94 VanDerWaalsContact CD-ND2 3.28Å; E14-N94 PolarHBondContact OE1-ND2 2.75Å; E14-N94 PolarHBondContact OE2-ND2 3.1Å; E14-S95 VanDerWaalsContact OE2-CA 3.32Å; E14-S95 WeakPolarHBondContact OE2-CA 3.36Å; E14-S95 WeakPolarHBondContact OE2-CB 3.35Å; E14-R98 HydrophobicContact CB-CB 4.18Å; E14-R98 HydrophobicContact CB-CG 4.43Å; E14-R98 HydrophobicContact CG-CG 4.49Å; E14-R98 WeakPolarHBondContact OE1-CG 3.46Å
15S96.8Very high97Very high48 Ų4821.5 Ų21.534%0.33613%0.133SC..THydrogen-bonded Turntrans-56.8148.9170.9-164.30000111V17 G66S15-V17 PolarHBondContact O-N 3.2Å; S15-G66 PolarHBondContact N-O 3Å
16A96.9Very high97.4Very high79 Ų7920.8 Ų20.865%0.65313%0.127SC*.THydrogen-bonded Turntrans60.96.4174.300000117.9G18 K122A16-G18 PolarHBondContact O-N 3.48Å; A16-K122 WeakPolarHBondContact O-CE 3.48Å; A16-K122 PolarHBondContact O-NZ 2.86Å
17V98.6Very high97.7Very high2 Ų219.6 Ų19.61%0.01212%0.118CC..SBendtrans-69.9-15.5173.4-56.30000113.6E14 S15 K19 V87 D89 N121E14-V17 HydrophobicContact CB-CG1 3.93Å; E14-V17 VanDerWaalsContact O-CG2 3.29Å; E14-V17 WeakPolarHBondContact O-CG2 3.27Å; S15-V17 PolarHBondContact O-N 3.2Å; V17-K19 HydrophobicContact CG2-CD 4.46Å; V17-K19 HydrophobicContact CG2-CG 3.74Å; V17-V87 HydrophobicContact CB-CG1 4.15Å; V17-V87 HydrophobicContact CG2-CB 3.78Å; V17-V87 HydrophobicContact CG2-CG1 3.72Å; V17-D89 HydrophobicContact CB-CB 4.31Å; V17-D89 HydrophobicContact CG1-CB 4.25Å; V17-N121 PolarHBondContact O-ND2 2.84Å
18G98.7Very high97.9Very high11 Ų1124.6 Ų24.611%0.11314%0.139CC..SBendtrans10122.617500000116.1A16 S20 S21 I22A16-G18 PolarHBondContact O-N 3.48Å; G18-S20 PolarHBondContact O-N 2.84Å; G18-S21 WeakPolarHBondContact O-CB 3.45Å; G18-S21 PolarHBondContact O-N 3.26Å; G18-S21 VanDerWaalsContact O-N 3.12Å; G18-I22 WeakPolarHBondContact O-CG1 3.45Å; G18-I22 PolarHBondContact O-N 3.12Å
19K98.8Very high98Very high10 Ų1027 Ų274%0.04316%0.16CC..Hα-helixtrans-48.7-57.7174.1-58.9-173.7-62.4-73.70112.5I11 L12 G13 E14 V17 S21 I22 V23 T64 G66 V87I11-K19 HydrophobicContact CD1-CB 3.91Å; I11-K19 HydrophobicContact CD1-CG 4.34Å; I11-K19 HydrophobicContact CG1-CB 3.98Å; I11-K19 HydrophobicContact CG1-CD 4.25Å; I11-K19 HydrophobicContact CG1-CG 4.02Å; I11-K19 HydrophobicContact CG2-CB 4.37Å; L12-K19 VanDerWaalsContact C-CD 3.41Å; L12-K19 WeakPolarHBondContact O-CD 3.41Å; G13-K19 PolarHBondContact O-NZ 3.39Å; E14-K19 PolarHBondContact O-NZ 2.87Å; V17-K19 HydrophobicContact CG2-CD 4.46Å; V17-K19 HydrophobicContact CG2-CG 3.74Å; K19-S21 VanDerWaalsContact C-N 3.26Å; K19-S21 PolarHBondContact O-N 2.75Å; K19-I22 WeakPolarHBondContact O-CB 3.49Å; K19-I22 PolarHBondContact O-N 2.78Å; K19-I22 VanDerWaalsContact O-N 3.16Å; K19-V23 WeakPolarHBondContact O-CG2 3.33Å; K19-V23 PolarHBondContact O-N 2.94Å; K19-T64 WeakPolarHBondContact CE-O 3.09Å; K19-G66 VanDerWaalsContact NZ-CA 3.31Å; K19-V87 HydrophobicContact CG-CB 4.02Å; K19-V87 HydrophobicContact CG-CG2 3.96Å
20S98.7Very high98.1Very high18 Ų1832.3 Ų32.313%0.12619%0.185CC..Hα-helixtrans-62.4-34179.1-480000112.4G18 V23 L24 T38 D63G18-S20 PolarHBondContact O-N 2.84Å; S20-V23 PolarHBondContact O-N 3.48Å; S20-L24 VanDerWaalsContact O-CB 3.29Å; S20-L24 WeakPolarHBondContact O-CB 3.2Å; S20-L24 PolarHBondContact O-N 3.38Å; S20-T38 PolarHBondContact OG-OG1 2.95Å; S20-D63 WeakPolarHBondContact CA-OD2 3.32Å; S20-D63 WeakPolarHBondContact CB-OD2 3.07Å; S20-D63 PolarHBondContact OG-OD1 3.05Å; S20-D63 PolarHBondContact OG-OD2 3.34Å
21S98.8Very high98.1Very high13 Ų1335.5 Ų35.59%0.09120%0.199CC..Hα-helixtrans-67.4-40.4176.2-500000111.9G18 K19 V23 L24 R25 A152G18-S21 WeakPolarHBondContact O-CB 3.45Å; G18-S21 PolarHBondContact O-N 3.26Å; G18-S21 VanDerWaalsContact O-N 3.12Å; K19-S21 VanDerWaalsContact C-N 3.26Å; K19-S21 PolarHBondContact O-N 2.75Å; S21-V23 VanDerWaalsContact C-N 3.35Å; S21-L24 PolarHBondContact O-N 3.03Å; S21-R25 VanDerWaalsContact O-CB 3.27Å; S21-R25 WeakPolarHBondContact O-CB 3.44Å; S21-R25 PolarHBondContact O-N 3.4Å; S21-A152 VanDerWaalsContact C-CB 3.49Å
22I98.9Very high98.1Very high0 Ų037.6 Ų37.60%021%0.214CC..Hα-helixtrans-61-46.5172.9-71.1171.9000109.7I11 G18 K19 R25 L26 V87 N121 A152 V158 F162I11-I22 HydrophobicContact CD1-CG2 4.43Å; G18-I22 WeakPolarHBondContact O-CG1 3.45Å; G18-I22 PolarHBondContact O-N 3.12Å; K19-I22 WeakPolarHBondContact O-CB 3.49Å; K19-I22 PolarHBondContact O-N 2.78Å; K19-I22 VanDerWaalsContact O-N 3.16Å; I22-R25 PolarHBondContact O-N 3.1Å; I22-L26 WeakPolarHBondContact O-CB 3.37Å; I22-L26 PolarHBondContact O-N 3.39Å; I22-V87 HydrophobicContact CD1-CG1 3.93Å; I22-V87 HydrophobicContact CD1-CG2 4.1Å; I22-N121 HydrophobicContact CD1-CB 4.09Å; I22-A152 HydrophobicContact CG1-CB 4.08Å; I22-V158 HydrophobicContact CG2-CG1 4.14Å; I22-F162 HydrophobicContact CG2-CE2 3.87Å; I22-F162 HydrophobicContact CG2-CZ 4.34Å
23V98.7Very high97.9Very high2 Ų243.2 Ų43.21%0.01224%0.24CC..Hα-helixtrans-65.7-42.1-179.7177.70000111.5I11 K19 S20 S21 L26 V27 L44 I61 D63I11-V23 HydrophobicContact CD1-CG2 4.08Å; I11-V23 HydrophobicContact CG2-CG2 4.09Å; K19-V23 WeakPolarHBondContact O-CG2 3.33Å; K19-V23 PolarHBondContact O-N 2.94Å; S20-V23 PolarHBondContact O-N 3.48Å; S21-V23 VanDerWaalsContact C-N 3.35Å; V23-L26 PolarHBondContact O-N 3.33Å; V23-V27 HydrophobicContact CG1-CG2 4.14Å; V23-V27 WeakPolarHBondContact O-CB 3.32Å; V23-V27 VanDerWaalsContact O-CG2 3.28Å; V23-V27 WeakPolarHBondContact O-CG2 2.96Å; V23-V27 PolarHBondContact O-N 3.11Å; V23-L44 HydrophobicContact CG1-CB 4.34Å; V23-L44 HydrophobicContact CG1-CD1 3.9Å; V23-L44 HydrophobicContact CG1-CD2 4.09Å; V23-L44 HydrophobicContact CG1-CG 4.33Å; V23-I61 HydrophobicContact CG1-CG2 4.19Å; V23-I61 HydrophobicContact CG2-CG2 3.91Å; V23-D63 HydrophobicContact CG2-CB 4.34Å
24L98.3Very high97.5Very high40 Ų4053.1 Ų53.121%0.20928%0.279CS..Hα-helixtrans-62.3-43.6175-176.565.9000111.4S20 S21 K28 C29 Q30S20-L24 VanDerWaalsContact O-CB 3.29Å; S20-L24 WeakPolarHBondContact O-CB 3.2Å; S20-L24 PolarHBondContact O-N 3.38Å; S21-L24 PolarHBondContact O-N 3.03Å; L24-K28 HydrophobicContact CD1-CB 4Å; L24-K28 HydrophobicContact CD1-CG 3.94Å; L24-K28 WeakPolarHBondContact O-CA 3.21Å; L24-K28 WeakPolarHBondContact O-CB 3.22Å; L24-K28 PolarHBondContact O-N 3.13Å; L24-C29 PolarHBondContact O-N 2.79Å; L24-Q30 CarbonylContact C-O 3.5Å; L24-Q30 HydrophobicContact CD1-CB 4.28Å; L24-Q30 HydrophobicContact CD2-CB 4.2Å; L24-Q30 HydrophobicContact CG-CB 3.97Å
25R98.5Very high97.2Very high37 Ų3755.4 Ų55.414%0.1429%0.29CS..Hα-helixtrans-60.2-47.1176174.856.467.5-170.66.1111S21 I22 C29 Q30 F31 A152 K153 S155 V158S21-R25 VanDerWaalsContact O-CB 3.27Å; S21-R25 WeakPolarHBondContact O-CB 3.44Å; S21-R25 PolarHBondContact O-N 3.4Å; I22-R25 PolarHBondContact O-N 3.1Å; R25-C29 PolarHBondContact NH1-O 2.9Å; R25-C29 WeakPolarHBondContact O-CA 3.4Å; R25-C29 PolarHBondContact O-N 2.82Å; R25-Q30 VanDerWaalsContact CA-O 3.27Å; R25-Q30 WeakPolarHBondContact CA-O 2.9Å; R25-Q30 PolarHBondContact N-O 3.22Å; R25-F31 VanDerWaalsContact NH2-CB 3.32Å; R25-A152 PolarHBondContact NE-O 3.29Å; R25-A152 PolarHBondContact NH2-O 3Å; R25-K153 PolarHBondContact NH2-O 3.21Å; R25-S155 VanDerWaalsContact CD-OG 3.25Å; R25-S155 WeakPolarHBondContact CD-OG 3.42Å; R25-S155 PolarHBondContact NE-OG 2.88Å; R25-S155 VanDerWaalsContact NE-OG 3.1Å; R25-S155 PolarHBondContact NH1-OG 3.21Å; R25-V158 HydrophobicContact CB-CG1 4.24Å; R25-V158 HydrophobicContact CG-CB 4.02Å; R25-V158 HydrophobicContact CG-CG1 3.9Å; R25-V158 HydrophobicContact CG-CG2 3.94Å
26L98.4Very high97Very high16 Ų1661.2 Ų61.28%0.08431%0.312CS..Hα-helixtrans-62.8-49.2179.3179.171.7000112.4I22 V23 Q46 I61 V158 F162I22-L26 WeakPolarHBondContact O-CB 3.37Å; I22-L26 PolarHBondContact O-N 3.39Å; V23-L26 PolarHBondContact O-N 3.33Å; L26-Q46 HydrophobicContact CD1-CG 4.35Å; L26-Q46 HydrophobicContact CD2-CB 4.1Å; L26-Q46 HydrophobicContact CD2-CG 4.17Å; L26-Q46 HydrophobicContact CG-CB 4.36Å; L26-Q46 HydrophobicContact CG-CG 3.96Å; L26-I61 HydrophobicContact CD2-CD1 3.74Å; L26-V158 HydrophobicContact CB-CG1 3.94Å; L26-V158 HydrophobicContact CD1-CG1 4.5Å; L26-F162 HydrophobicContact CD1-CB 4.27Å; L26-F162 HydrophobicContact CD1-CD2 4.03Å; L26-F162 HydrophobicContact CD1-CG 4.11Å; L26-F162 HydrophobicContact CD2-CB 4.48Å; L26-F162 HydrophobicContact CD2-CD1 3.55Å; L26-F162 HydrophobicContact CD2-CD2 3.77Å; L26-F162 HydrophobicContact CD2-CE1 3.54Å; L26-F162 HydrophobicContact CD2-CE2 3.76Å; L26-F162 HydrophobicContact CD2-CG 3.65Å; L26-F162 HydrophobicContact CD2-CZ 3.65Å; L26-F162 HydrophobicContact CG-CD2 4.42Å
27V98Very high96.9Very high26 Ų2660.2 Ų60.216%0.15830%0.303CS..Hα-helixtrans-83.3-34.3-169.4177.20000112.1V23 L44 Q46V23-V27 HydrophobicContact CG1-CG2 4.14Å; V23-V27 WeakPolarHBondContact O-CB 3.32Å; V23-V27 VanDerWaalsContact O-CG2 3.28Å; V23-V27 WeakPolarHBondContact O-CG2 2.96Å; V23-V27 PolarHBondContact O-N 3.11Å; V27-L44 HydrophobicContact CB-CD2 4.49Å; V27-L44 HydrophobicContact CG1-CD2 4.3Å; V27-L44 HydrophobicContact CG2-CB 4.37Å; V27-L44 HydrophobicContact CG2-CD2 4.28Å; V27-Q46 HydrophobicContact CG2-CB 4.18Å
28K97.1Very high96.6Very high127 Ų12761.3 Ų61.355%0.55231%0.31SS*.Hα-helixtrans-121.1-4.8-171-58.7-60.2-177.8-171.30114.2L24 Q30L24-K28 HydrophobicContact CD1-CB 4Å; L24-K28 HydrophobicContact CD1-CG 3.94Å; L24-K28 WeakPolarHBondContact O-CA 3.21Å; L24-K28 WeakPolarHBondContact O-CB 3.22Å; L24-K28 PolarHBondContact O-N 3.13Å; K28-Q30 HydrophobicContact CB-CB 4.13Å; K28-Q30 HydrophobicContact CB-CG 4.13Å; K28-Q30 WeakPolarHBondContact O-CG 2.95Å; K28-Q30 PolarHBondContact O-N 2.93Å
29C97.1Very high96.3Very high93 Ų9366.8 Ų66.863%0.62834%0.335SS*.SBendtrans52.538.2-170.2-158.80000112L24 R25L24-C29 PolarHBondContact O-N 2.79Å; R25-C29 PolarHBondContact NH1-O 2.9Å; R25-C29 WeakPolarHBondContact O-CA 3.4Å; R25-C29 PolarHBondContact O-N 2.82Å
30Q98Very high96Very high113 Ų11366.8 Ų66.853%0.52834%0.338SS..  trans-123.9156.8-177.8-74.7173.95.700111.2L24 R25 K28L24-Q30 CarbonylContact C-O 3.5Å; L24-Q30 HydrophobicContact CD1-CB 4.28Å; L24-Q30 HydrophobicContact CD2-CB 4.2Å; L24-Q30 HydrophobicContact CG-CB 3.97Å; R25-Q30 VanDerWaalsContact CA-O 3.27Å; R25-Q30 WeakPolarHBondContact CA-O 2.9Å; R25-Q30 PolarHBondContact N-O 3.22Å; K28-Q30 HydrophobicContact CB-CB 4.13Å; K28-Q30 HydrophobicContact CB-CG 4.13Å; K28-Q30 WeakPolarHBondContact O-CG 2.95Å; K28-Q30 PolarHBondContact O-N 2.93Å
31F98.1Very high95.9Very high66 Ų6667.1 Ų67.129%0.28934%0.342SS..  trans-140.2139.6171.1175-95.3000108.7R25 E33 A152 K153R25-F31 VanDerWaalsContact NH2-CB 3.32Å; F31-E33 HydrophobicContact CE1-CG 4.26Å; F31-A152 HydrophobicContact CD2-CB 4.16Å; F31-A152 HydrophobicContact CE2-CB 4.37Å; F31-K153 HydrophobicContact CD1-CB 4.36Å; F31-K153 HydrophobicContact CD1-CG 4.01Å; F31-K153 HydrophobicContact CD2-CB 4.13Å; F31-K153 HydrophobicContact CE1-CB 4.08Å; F31-K153 HydrophobicContact CE1-CD 3.92Å; F31-K153 HydrophobicContact CE1-CG 3.72Å; F31-K153 HydrophobicContact CE2-CB 3.84Å; F31-K153 HydrophobicContact CE2-CG 4.4Å; F31-K153 HydrophobicContact CG-CB 4.38Å; F31-K153 HydrophobicContact CG-CG 4.47Å; F31-K153 HydrophobicContact CZ-CB 3.81Å; F31-K153 HydrophobicContact CZ-CD 4.05Å; F31-K153 HydrophobicContact CZ-CG 3.93Å
32S97Very high95.8Very high44 Ų4468.3 Ų68.331%0.30835%0.353SS..  trans-115.5129.7172.9-1770000109Y34S32-Y34 PolarHBondContact O-N 2.85Å; S32-Y34 PolarHBondContact OG-N 3.06Å; S32-Y34 PolarHBondContact OG-O 2.89Å
33E93.4Very high95.7Very high119 Ų11973.2 Ų73.256%0.55637%0.372SS*.SBendtrans-63.7-28.4172-63.3-70.2172.600111.3F31 K153F31-E33 HydrophobicContact CE1-CG 4.26Å; E33-K153 VanDerWaalsContact CD-NZ 3.3Å; E33-K153 WeakPolarHBondContact OE1-CE 3.36Å; E33-K153 IonicContact OE1-NZ 3.16Å; E33-K153 PolarHBondContact OE1-NZ 3Å; E33-K153 IonicContact OE2-NZ 3.58Å; E33-K153 PolarHBondContact OE2-NZ 3.3Å
34Y91.7Very high95.7Very high208 Ų20875.4 Ų75.482%0.81638%0.383SS*.SBendtrans-118.195.1178.5-55.3-74.6000109.3S32S32-Y34 PolarHBondContact O-N 2.85Å; S32-Y34 PolarHBondContact OG-N 3.06Å; S32-Y34 PolarHBondContact OG-O 2.89Å
35Q90.9Very high95.7Very high91 Ų9176.1 Ų76.143%0.42539%0.389SS..PPolyproline II helixtrans-100.9120.2174.8-174.56053.400109.4
36E92.4Very high95.7Very high171 Ų17176.7 Ų76.780%0.79939%0.394SS*.PPolyproline II helixtrans-65.8150.7174.1-64.9-173.9159.800111.2T38E36-T38 PolarHBondContact O-N 2.91Å
37A94.1Very high95.5Very high57 Ų5778.7 Ų78.747%0.47141%0.406SS..PPolyproline II helixtrans-66.5124.7177.500000110.7I39A37-I39 PolarHBondContact O-N 3.07Å
38T92.9Very high95.4Very high26 Ų2678.3 Ų78.316%0.1640%0.403CS..PPolyproline II helixtrans-58.6133.8173.6-51.60000110.7S20 E36 A65S20-T38 PolarHBondContact OG-OG1 2.95Å; E36-T38 PolarHBondContact O-N 2.91Å; T38-A65 WeakPolarHBondContact O-CB 3.35Å
39I92.3Very high95.2Very high126 Ų12676.9 Ų76.965%0.64641%0.405SS*.PPolyproline II helixtrans-100.3121.2174-64.1175.7000108.2A37 A41 Y70A37-I39 PolarHBondContact O-N 3.07Å; I39-A41 PolarHBondContact O-N 3.09Å; I39-Y70 HydrophobicContact CG2-CE1 4.25Å
40G92.7Very high94.9Very high10 Ų1072.5 Ų72.510%0.10338%0.375CS..SBendtrans65.7-100.3-176.800000111.8A65G40-A65 WeakPolarHBondContact O-CB 3.07Å; G40-A65 PolarHBondContact O-N 3.4Å
41A96.2Very high94.3Very high25 Ų2573.6 Ų73.621%0.20739%0.385CS..EExtended strand (participates in β ladder)trans-154.2155.417000000112.1I39 W62 D63 T64 Y77I39-A41 PolarHBondContact O-N 3.09Å; A41-W62 HydrophobicContact CB-CE3 4.27Å; A41-D63 CarbonylContact C-O 3.56Å; A41-D63 WeakPolarHBondContact CA-O 3.47Å; A41-D63 VanDerWaalsContact CB-O 3.32Å; A41-D63 WeakPolarHBondContact CB-O 3.3Å; A41-T64 HydrophobicContact CB-CG2 4.4Å; A41-Y77 HydrophobicContact CB-CD1 3.82Å; A41-Y77 HydrophobicContact CB-CD2 4.08Å; A41-Y77 HydrophobicContact CB-CE1 3.43Å; A41-Y77 VanDerWaalsContact CB-CE1 3.43Å; A41-Y77 HydrophobicContact CB-CE2 3.71Å; A41-Y77 HydrophobicContact CB-CG 4.13Å
42A97.3Very high93.4Very high38 Ų3877.4 Ų77.431%0.31441%0.408SS..EExtended strand (participates in β ladder)trans-106.3142.1168.900000110.6L44 D63A42-L44 HydrophobicContact CB-CD1 3.96Å; A42-D63 HydrophobicContact CB-CB 4.35Å; A42-D63 PolarHBondContact N-O 2.91Å; A42-D63 PolarHBondContact O-N 2.87Å
43Y97.6Very high92.7Very high103 Ų10379 Ų7940%0.40442%0.417SS..EExtended strand (participates in β ladder)trans-104.9126.3175.3175.9-98.5000110.6T45 E60 I61 W62Y43-T45 HydrophobicContact CE1-CG2 3.74Å; Y43-T45 WeakPolarHBondContact OH-CG2 3.22Å; Y43-E60 HydrophobicContact CE2-CB 3.9Å; Y43-E60 HydrophobicContact CE2-CG 4.46Å; Y43-E60 PolarHBondContact OH-OE1 2.98Å; Y43-I61 WeakPolarHBondContact CA-O 3.28Å; Y43-W62 HydrophobicContact CD2-CD2 4.05Å; Y43-W62 AromaticContact CD2-CE2 3.58Å; Y43-W62 HydrophobicContact CD2-CE3 4.47Å; Y43-W62 HydrophobicContact CD2-CH2 4.12Å; Y43-W62 AromaticContact CD2-CZ2 3.64Å; Y43-W62 HydrophobicContact CD2-CZ2 3.64Å; Y43-W62 AromaticContact CD2-NE1 3.84Å; Y43-W62 HydrophobicContact CE2-CZ2 4.2Å; Y43-W62 HydrophobicContact CG-CH2 4.44Å; Y43-W62 HydrophobicContact CG-CZ2 4.37Å
44L98.4Very high92.5Very high48 Ų4877.9 Ų77.925%0.25142%0.421SS..EExtended strand (participates in β ladder)trans-135.7162176.3-63.296.5000110.1V23 V27 A42 I61V23-L44 HydrophobicContact CG1-CB 4.34Å; V23-L44 HydrophobicContact CG1-CD1 3.9Å; V23-L44 HydrophobicContact CG1-CD2 4.09Å; V23-L44 HydrophobicContact CG1-CG 4.33Å; V27-L44 HydrophobicContact CB-CD2 4.49Å; V27-L44 HydrophobicContact CG1-CD2 4.3Å; V27-L44 HydrophobicContact CG2-CB 4.37Å; V27-L44 HydrophobicContact CG2-CD2 4.28Å; A42-L44 HydrophobicContact CB-CD1 3.96Å; L44-I61 PolarHBondContact N-O 2.95Å; L44-I61 PolarHBondContact O-N 3.18Å
45T98Very high92.4Very high54 Ų5468 Ų6833%0.33138%0.382SS..EExtended strand (participates in β ladder)trans-129.7138.7172.7680000110.9Y43 F59 E60Y43-T45 HydrophobicContact CE1-CG2 3.74Å; Y43-T45 WeakPolarHBondContact OH-CG2 3.22Å; T45-F59 WeakPolarHBondContact CA-O 3.11Å; T45-E60 HydrophobicContact CG2-CG 4.47Å
46Q97.4Very high92.4Very high50 Ų5065.2 Ų65.223%0.23437%0.371CS..EExtended strand (participates in β ladder)trans-130.3134.8170.4-176.862.18.300109.9L26 V27 I48 K58 F59 I61L26-Q46 HydrophobicContact CD1-CG 4.35Å; L26-Q46 HydrophobicContact CD2-CB 4.1Å; L26-Q46 HydrophobicContact CD2-CG 4.17Å; L26-Q46 HydrophobicContact CG-CB 4.36Å; L26-Q46 HydrophobicContact CG-CG 3.96Å; V27-Q46 HydrophobicContact CG2-CB 4.18Å; Q46-I48 HydrophobicContact CG-CG2 4.15Å; Q46-K58 CarbonylContact O-C 3.5Å; Q46-K58 WeakPolarHBondContact O-CA 3.4Å; Q46-F59 PolarHBondContact N-O 2.98Å; Q46-F59 VanDerWaalsContact N-O 3.11Å; Q46-F59 PolarHBondContact O-N 3.34Å; Q46-I61 HydrophobicContact CB-CD1 4.17Å
47T95.8Very high92.5Very high57 Ų5757.1 Ų57.135%0.3533%0.333SS..EExtended strand (participates in β ladder)trans-101.6129.1170.6-58.80000109.3T56 V57T47-T56 HydrophobicContact CG2-CG2 3.24Å; T47-V57 CarbonylContact C-O 3.59Å; T47-V57 WeakPolarHBondContact CA-O 3.38Å
48I94.4Very high92.5Very high18 Ų1857 Ų579%0.09232%0.322CS..EExtended strand (participates in β ladder)trans-117.5151.2173.864.9162.1000110.4Q46 L50 T56 V57 F59 F162Q46-I48 HydrophobicContact CG-CG2 4.15Å; I48-L50 HydrophobicContact CD1-CD2 3.79Å; I48-L50 HydrophobicContact CG1-CD2 4.47Å; I48-T56 WeakPolarHBondContact O-CA 3.32Å; I48-V57 HydrophobicContact CG1-CB 4.05Å; I48-V57 HydrophobicContact CG1-CG1 4.48Å; I48-V57 PolarHBondContact N-O 3.22Å; I48-V57 PolarHBondContact O-N 2.94Å; I48-F59 HydrophobicContact CD1-CD2 4.46Å; I48-F59 HydrophobicContact CD1-CE2 3.59Å; I48-F59 HydrophobicContact CD1-CZ 4.36Å; I48-F59 HydrophobicContact CG1-CD2 4.41Å; I48-F59 HydrophobicContact CG1-CE2 3.95Å; I48-F162 WeakPolarHBondContact CD1-O 3.5Å
49V92.6Very high92.7Very high97 Ų9755.8 Ų55.859%0.58832%0.315SS*.EExtended strand (participates in β ladder)trans-105.2126.9175.5-178.40000108.2A55V49-A55 WeakPolarHBondContact CA-O 3.24Å
50L91Very high93Very high2 Ų252.5 Ų52.51%0.0130%0.297CS..EExtended strand (participates in β ladder)trans-102.4143.3174.3-54.9174.7000108.1I48 P54 A55 V57 T163 G166I48-L50 HydrophobicContact CD1-CD2 3.79Å; I48-L50 HydrophobicContact CG1-CD2 4.47Å; L50-P54 CarbonylContact O-C 3.53Å; L50-P54 VanDerWaalsContact O-CA 3.29Å; L50-P54 WeakPolarHBondContact O-CA 3.44Å; L50-A55 HydrophobicContact CB-CB 4.31Å; L50-A55 PolarHBondContact N-O 3.49Å; L50-A55 PolarHBondContact O-N 3.39Å; L50-V57 HydrophobicContact CD1-CG2 3.73Å; L50-V57 HydrophobicContact CG-CG2 4.49Å; L50-T163 HydrophobicContact CD2-CG2 3.84Å; L50-G166 WeakPolarHBondContact CD1-O 3.42Å
51N85.5Confident93.2Very high135 Ų13552 Ų5272%0.72229%0.292SS*.EExtended strand (participates in β ladder)trans-104-21.9-170.1-66.6-29.5000114.1P54N51-P54 WeakPolarHBondContact O-CD 3.39Å
52D80.6Confident93.3Very high146 Ų14654.3 Ų54.378%0.78130%0.295SS*.THydrogen-bonded Turntrans-142.299.6-175.4-168.29.5000112.6
53P82.7Confident93.4Very high77 Ų7752.9 Ų52.950%0.528%0.282SS..THydrogen-bonded Turncis-70.3157.2-10.430.8-35.1000111.9A55P53-A55 PolarHBondContact O-N 2.77Å
54P87.6Confident93.4Very high97 Ų9748.1 Ų48.163%0.6326%0.264SS*.EExtended strand (participates in β ladder)trans-57.5125.1178.8-27.335000113.5L50 N51L50-P54 CarbonylContact O-C 3.53Å; L50-P54 VanDerWaalsContact O-CA 3.29Å; L50-P54 WeakPolarHBondContact O-CA 3.44Å; N51-P54 WeakPolarHBondContact O-CD 3.39Å
55A89.9Confident93.3Very high1 Ų146.2 Ų46.21%0.00826%0.255CS..EExtended strand (participates in β ladder)trans-159165-178.300000113.9V49 L50 P53V49-A55 WeakPolarHBondContact CA-O 3.24Å; L50-A55 HydrophobicContact CB-CB 4.31Å; L50-A55 PolarHBondContact N-O 3.49Å; L50-A55 PolarHBondContact O-N 3.39Å; P53-A55 PolarHBondContact O-N 2.77Å
56T91.9Very high93Very high31 Ų3144.5 Ų44.519%0.1925%0.248CC..EExtended strand (participates in β ladder)trans-125.1120176.2-560000109.7N3 R4 S5 T47 I48N3-T56 PolarHBondContact O-N 3.23Å; R4-T56 VanDerWaalsContact CA-O 3.3Å; R4-T56 WeakPolarHBondContact CA-O 3.25Å; R4-T56 HydrophobicContact CG-CG2 4.42Å; S5-T56 PolarHBondContact N-O 3.17Å; S5-T56 VanDerWaalsContact N-O 3.17Å; T47-T56 HydrophobicContact CG2-CG2 3.24Å; I48-T56 WeakPolarHBondContact O-CA 3.32Å
57V93Very high92.7Very high1 Ų145.5 Ų45.51%0.00625%0.253CS..EExtended strand (participates in β ladder)trans-112.7124.3179.8168.50000108.6T47 I48 L50 F59T47-V57 CarbonylContact C-O 3.59Å; T47-V57 WeakPolarHBondContact CA-O 3.38Å; I48-V57 HydrophobicContact CG1-CB 4.05Å; I48-V57 HydrophobicContact CG1-CG1 4.48Å; I48-V57 PolarHBondContact N-O 3.22Å; I48-V57 PolarHBondContact O-N 2.94Å; L50-V57 HydrophobicContact CD1-CG2 3.73Å; L50-V57 HydrophobicContact CG-CG2 4.49Å; V57-F59 HydrophobicContact CG1-CD1 4.27Å; V57-F59 HydrophobicContact CG1-CD2 4.29Å; V57-F59 HydrophobicContact CG1-CE1 3.93Å; V57-F59 HydrophobicContact CG1-CE2 3.97Å; V57-F59 HydrophobicContact CG1-CG 4.44Å; V57-F59 HydrophobicContact CG1-CZ 3.78Å
58K95.5Very high92.5Very high56 Ų5650 Ų5024%0.24327%0.27CS..EExtended strand (participates in β ladder)trans-96.7118.9168.5-176.9-172.2174.8-162.10108.5S5 S6 H7 Q46S5-K58 PolarHBondContact O-N 2.95Å; S6-K58 CarbonylContact C-O 3.56Å; S6-K58 VanDerWaalsContact CA-O 3.27Å; S6-K58 WeakPolarHBondContact CA-O 3.39Å; H7-K58 PolarHBondContact N-O 3.44Å; Q46-K58 CarbonylContact O-C 3.5Å; Q46-K58 WeakPolarHBondContact O-CA 3.4Å
59F96.7Very high92.4Very high0 Ų057.4 Ų57.40%030%0.297CS..EExtended strand (participates in β ladder)trans-86.7134.3167.3-68.9-64.6000110.6H7 L9 T45 Q46 I48 V57 I61 F162 I165H7-F59 HydrophobicContact CB-CD1 4.19Å; H7-F59 HydrophobicContact CB-CE1 4.34Å; H7-F59 WeakPolarHBondContact O-CA 3.38Å; L9-F59 HydrophobicContact CB-CD1 4.12Å; L9-F59 HydrophobicContact CD1-CD1 3.88Å; L9-F59 HydrophobicContact CD1-CE1 4.06Å; L9-F59 HydrophobicContact CD1-CG 4.38Å; T45-F59 WeakPolarHBondContact CA-O 3.11Å; Q46-F59 PolarHBondContact N-O 2.98Å; Q46-F59 VanDerWaalsContact N-O 3.11Å; Q46-F59 PolarHBondContact O-N 3.34Å; I48-F59 HydrophobicContact CD1-CD2 4.46Å; I48-F59 HydrophobicContact CD1-CE2 3.59Å; I48-F59 HydrophobicContact CD1-CZ 4.36Å; I48-F59 HydrophobicContact CG1-CD2 4.41Å; I48-F59 HydrophobicContact CG1-CE2 3.95Å; V57-F59 HydrophobicContact CG1-CD1 4.27Å; V57-F59 HydrophobicContact CG1-CD2 4.29Å; V57-F59 HydrophobicContact CG1-CE1 3.93Å; V57-F59 HydrophobicContact CG1-CE2 3.97Å; V57-F59 HydrophobicContact CG1-CG 4.44Å; V57-F59 HydrophobicContact CG1-CZ 3.78Å; F59-I61 HydrophobicContact CB-CD1 4.16Å; F59-I61 HydrophobicContact CB-CG1 3.73Å; F59-F162 AromaticContact CD2-CD1 3.98Å; F59-F162 HydrophobicContact CD2-CD1 3.98Å; F59-F162 HydrophobicContact CE2-CB 4.02Å; F59-F162 HydrophobicContact CE2-CD1 4.1Å; F59-F162 WeakPolarHBondContact CE2-O 3.28Å; F59-I165 HydrophobicContact CE1-CG2 3.92Å; F59-I165 HydrophobicContact CZ-CB 4.29Å; F59-I165 HydrophobicContact CZ-CG2 3.92Å
60E97.4Very high92.5Very high57 Ų5755 Ų5527%0.26628%0.277SS..EExtended strand (participates in β ladder)trans-104.690.7170.2-67-174.994.700107.5S6 H7 L9 Y43 T45S6-E60 VanDerWaalsContact OG-CD 3.24Å; S6-E60 WeakPolarHBondContact OG-CG 3.29Å; S6-E60 PolarHBondContact OG-OE2 2.95Å; H7-E60 PolarHBondContact O-N 2.85Å; L9-E60 PolarHBondContact N-O 3.46Å; L9-E60 VanDerWaalsContact O-O 3.12Å; Y43-E60 HydrophobicContact CE2-CB 3.9Å; Y43-E60 HydrophobicContact CE2-CG 4.46Å; Y43-E60 PolarHBondContact OH-OE1 2.98Å; T45-E60 HydrophobicContact CG2-CG 4.47Å
61I98.6Very high92.5Very high0 Ų058.3 Ų58.30%029%0.292CS..EExtended strand (participates in β ladder)trans-90.8121.7-164.5-55.4171.8000109.5L9 V23 L26 Y43 L44 Q46 F59 F162L9-I61 HydrophobicContact CD2-CG1 4.41Å; L9-I61 HydrophobicContact CD2-CG2 4.08Å; L9-I61 CarbonylContact O-C 3.51Å; L9-I61 WeakPolarHBondContact O-CA 3.46Å; V23-I61 HydrophobicContact CG1-CG2 4.19Å; V23-I61 HydrophobicContact CG2-CG2 3.91Å; L26-I61 HydrophobicContact CD2-CD1 3.74Å; Y43-I61 WeakPolarHBondContact CA-O 3.28Å; L44-I61 PolarHBondContact N-O 2.95Å; L44-I61 PolarHBondContact O-N 3.18Å; Q46-I61 HydrophobicContact CB-CD1 4.17Å; F59-I61 HydrophobicContact CB-CD1 4.16Å; F59-I61 HydrophobicContact CB-CG1 3.73Å; I61-F162 HydrophobicContact CD1-CE1 4.11Å
62W97.9Very high92.9Very high73 Ų7356.6 Ų56.628%0.27729%0.291SS..EExtended strand (participates in β ladder)trans-101.999.6170.3-69.390.3000109.6L9 V10 I11 A41 Y43 T64 Y77L9-W62 PolarHBondContact O-N 3.28Å; V10-W62 HydrophobicContact CG2-CB 4.33Å; I11-W62 PolarHBondContact N-O 2.82Å; A41-W62 HydrophobicContact CB-CE3 4.27Å; Y43-W62 HydrophobicContact CD2-CD2 4.05Å; Y43-W62 AromaticContact CD2-CE2 3.58Å; Y43-W62 HydrophobicContact CD2-CE3 4.47Å; Y43-W62 HydrophobicContact CD2-CH2 4.12Å; Y43-W62 AromaticContact CD2-CZ2 3.64Å; Y43-W62 HydrophobicContact CD2-CZ2 3.64Å; Y43-W62 AromaticContact CD2-NE1 3.84Å; Y43-W62 HydrophobicContact CE2-CZ2 4.2Å; Y43-W62 HydrophobicContact CG-CH2 4.44Å; Y43-W62 HydrophobicContact CG-CZ2 4.37Å; W62-T64 PolarHBondContact O-N 3.28Å; W62-Y77 HydrophobicContact CD2-CD1 4.12Å; W62-Y77 AromaticContact CE3-CD1 3.6Å; W62-Y77 HydrophobicContact CE3-CD1 3.6Å; W62-Y77 AromaticContact CE3-CE1 3.83Å; W62-Y77 HydrophobicContact CE3-CE1 3.83Å; W62-Y77 HydrophobicContact CZ3-CD1 4.12Å; W62-Y77 AromaticContact CZ3-CE1 3.96Å; W62-Y77 HydrophobicContact CZ3-CE1 3.96Å
63D98.2Very high93.5Very high7 Ų752.7 Ų52.74%0.03727%0.27CS..EExtended strand (participates in β ladder)trans-81.1106.3173.7178.435.4000111.3I11 S20 V23 A41 A42I11-D63 VanDerWaalsContact CG2-CA 3.43Å; I11-D63 HydrophobicContact CG2-CB 3.99Å; S20-D63 WeakPolarHBondContact CA-OD2 3.32Å; S20-D63 WeakPolarHBondContact CB-OD2 3.07Å; S20-D63 PolarHBondContact OG-OD1 3.05Å; S20-D63 PolarHBondContact OG-OD2 3.34Å; V23-D63 HydrophobicContact CG2-CB 4.34Å; A41-D63 CarbonylContact C-O 3.56Å; A41-D63 WeakPolarHBondContact CA-O 3.47Å; A41-D63 VanDerWaalsContact CB-O 3.32Å; A41-D63 WeakPolarHBondContact CB-O 3.3Å; A42-D63 HydrophobicContact CB-CB 4.35Å; A42-D63 PolarHBondContact N-O 2.91Å; A42-D63 PolarHBondContact O-N 2.87Å
64T97.4Very high93.9Very high4 Ų449.2 Ų49.23%0.02525%0.248CC..EExtended strand (participates in β ladder)trans-91.7154-172.476.90000112.9V10 I11 L12 K19 A41 W62 Y77V10-T64 HydrophobicContact CG2-CG2 3.69Å; I11-T64 PolarHBondContact O-N 2.83Å; I11-T64 PolarHBondContact O-OG1 3.45Å; L12-T64 HydrophobicContact CD2-CG2 4.06Å; K19-T64 WeakPolarHBondContact CE-O 3.09Å; A41-T64 HydrophobicContact CB-CG2 4.4Å; W62-T64 PolarHBondContact O-N 3.28Å; T64-Y77 HydrophobicContact CG2-CD2 4.03Å; T64-Y77 HydrophobicContact CG2-CG 4.15Å
65A96.3Very high94.1Very high8 Ų847 Ų477%0.06623%0.233CC..  trans-58.9139165.400000110.8T38 G40 Y70T38-A65 WeakPolarHBondContact O-CB 3.35Å; G40-A65 WeakPolarHBondContact O-CB 3.07Å; G40-A65 PolarHBondContact O-N 3.4Å; A65-Y70 HydrophobicContact CB-CD2 3.46Å; A65-Y70 VanDerWaalsContact CB-CD2 3.46Å; A65-Y70 HydrophobicContact CB-CE2 4.27Å; A65-Y70 HydrophobicContact CB-CG 3.82Å
66G91.7Very high94.3Very high18 Ų1852.3 Ų52.319%0.18626%0.259CS..  trans-97.8-3.4174.500000114.5G13 S15 K19G13-G66 WeakPolarHBondContact O-CA 3.36Å; S15-G66 PolarHBondContact N-O 3Å; K19-G66 VanDerWaalsContact NZ-CA 3.31Å
67Q92.8Very high94.4Very high70 Ų7052.3 Ų52.333%0.32726%0.256SS..SBendtrans-76.2138178.2-59.9-17883.600109.7R69 Y70Q67-R69 HydrophobicContact CB-CG 4.19Å; Q67-R69 PolarHBondContact O-N 2.86Å; Q67-R69 VanDerWaalsContact O-N 3.1Å; Q67-Y70 HydrophobicContact CB-CD2 4.04Å; Q67-Y70 HydrophobicContact CB-CE2 4.41Å; Q67-Y70 PolarHBondContact O-N 2.82Å; Q67-Y70 VanDerWaalsContact O-N 3.09Å
68E90.7Very high94.4Very high153 Ų15352.6 Ų52.672%0.71526%0.257SS*.G310 helixtrans-50.2-41.4-179.1-172.5-69.3157.400111.8Y70 H71E68-Y70 PolarHBondContact O-N 3.11Å; E68-H71 WeakPolarHBondContact O-CB 3.35Å; E68-H71 PolarHBondContact O-N 2.79Å
69R93.1Very high94.2Very high172 Ų17259.5 Ų59.565%0.64928%0.281SS*.G310 helixtrans-57.9-15.1-17572-176.5-60.7176.83114.8Q67Q67-R69 HydrophobicContact CB-CG 4.19Å; Q67-R69 PolarHBondContact O-N 2.86Å; Q67-R69 VanDerWaalsContact O-N 3.1Å
70Y93.8Very high93.9Very high46 Ų4662 Ų6218%0.1831%0.307CS..G310 helixtrans-107.42.1176.8-58.6-68.1000113.3I39 A65 Q67 E68 S72 L73I39-Y70 HydrophobicContact CG2-CE1 4.25Å; A65-Y70 HydrophobicContact CB-CD2 3.46Å; A65-Y70 VanDerWaalsContact CB-CD2 3.46Å; A65-Y70 HydrophobicContact CB-CE2 4.27Å; A65-Y70 HydrophobicContact CB-CG 3.82Å; Q67-Y70 HydrophobicContact CB-CD2 4.04Å; Q67-Y70 HydrophobicContact CB-CE2 4.41Å; Q67-Y70 PolarHBondContact O-N 2.82Å; Q67-Y70 VanDerWaalsContact O-N 3.09Å; E68-Y70 PolarHBondContact O-N 3.11Å; Y70-S72 VanDerWaalsContact C-N 3.25Å; Y70-S72 PolarHBondContact O-N 2.85Å; Y70-L73 HydrophobicContact CD1-CD1 3.97Å; Y70-L73 WeakPolarHBondContact O-CB 3.46Å; Y70-L73 PolarHBondContact O-N 3.49Å
71H91.7Very high93.7Very high72 Ų7259.5 Ų59.533%0.33330%0.297SS..G310 helixtrans-58-37.8-178.2-179.175.5000111.8E68 L73 A74 W102 E105E68-H71 WeakPolarHBondContact O-CB 3.35Å; E68-H71 PolarHBondContact O-N 2.79Å; H71-L73 PolarHBondContact O-N 3.45Å; H71-L73 VanDerWaalsContact O-N 3.12Å; H71-A74 VanDerWaalsContact O-CB 3.29Å; H71-A74 WeakPolarHBondContact O-CB 3.17Å; H71-A74 PolarHBondContact O-N 2.98Å; H71-W102 AromaticContact CE1-CH2 3.43Å; H71-W102 VanDerWaalsContact CE1-CH2 3.43Å; H71-W102 WeakPolarHBondContact CE1-CH2 3.07Å; H71-W102 AromaticContact CE1-CZ2 3.92Å; H71-W102 AromaticContact CE1-CZ3 3.67Å; H71-W102 AromaticContact ND1-CH2 2.99Å; H71-W102 WeakPolarHBondContact ND1-CH2 3.45Å; H71-W102 AromaticContact ND1-CZ2 3.31Å; H71-W102 VanDerWaalsContact ND1-CZ2 3.31Å; H71-W102 WeakPolarHBondContact ND1-CZ2 3.25Å; H71-W102 AromaticContact ND1-CZ3 3.73Å; H71-E105 IonicContact CE1-OE2 2.99Å; H71-E105 PolarHBondContact CE1-OE2 3.21Å; H71-E105 IonicContact NE2-OE2 2.78Å; H71-E105 PolarHBondContact NE2-OE2 2.84Å
72S92.9Very high93.4Very high100 Ų10063 Ų6370%0.69931%0.313SS*.G310 helixtrans-61.9-18.117560.80000114.4Y70Y70-S72 VanDerWaalsContact C-N 3.25Å; Y70-S72 PolarHBondContact O-N 2.85Å
73L93.7Very high93.2Very high64 Ų6459.7 Ų59.734%0.33530%0.301SS..G310 helixtrans-86.1-23.5173.9-56.9178.8000112.4Y70 H71 P75 M76 Y77Y70-L73 HydrophobicContact CD1-CD1 3.97Å; Y70-L73 WeakPolarHBondContact O-CB 3.46Å; Y70-L73 PolarHBondContact O-N 3.49Å; H71-L73 PolarHBondContact O-N 3.45Å; H71-L73 VanDerWaalsContact O-N 3.12Å; L73-P75 VanDerWaalsContact C-N 3.29Å; L73-P75 VanDerWaalsContact O-N 3.13Å; L73-M76 HydrophobicContact CB-SD 4.15Å; L73-M76 HydrophobicContact CD2-SD 4.22Å; L73-M76 WeakPolarHBondContact O-CG 3.29Å; L73-M76 PolarHBondContact O-N 3.28Å; L73-Y77 HydrophobicContact CB-CE2 3.91Å; L73-Y77 WeakPolarHBondContact O-CD2 3.45Å
74A91.5Very high93.2Very high4 Ų459.6 Ų59.63%0.03330%0.301CS..Hα-helixtrans-51.1-39.3-175.500000114.7L12 H71 M76 Y77 Y78 W102L12-A74 HydrophobicContact CD2-CB 4.21Å; H71-A74 VanDerWaalsContact O-CB 3.29Å; H71-A74 WeakPolarHBondContact O-CB 3.17Å; H71-A74 PolarHBondContact O-N 2.98Å; A74-M76 PolarHBondContact O-N 3.03Å; A74-Y77 PolarHBondContact O-N 3.47Å; A74-Y78 HydrophobicContact CB-CD1 4.38Å; A74-Y78 HydrophobicContact CB-CE1 4.31Å; A74-Y78 WeakPolarHBondContact O-CD1 3.46Å; A74-Y78 PolarHBondContact O-N 2.87Å; A74-Y78 VanDerWaalsContact O-N 3.09Å; A74-W102 HydrophobicContact CB-CH2 3.37Å; A74-W102 HydrophobicContact CB-CZ3 3.59Å
75P92.6Very high93.2Very high49 Ų4959.4 Ų59.432%0.31830%0.3SS..Hα-helixtrans-56.1-33.1176.4-25.233.9000115L73 Y77 Y78 R79L73-P75 VanDerWaalsContact C-N 3.29Å; L73-P75 VanDerWaalsContact O-N 3.13Å; P75-Y77 VanDerWaalsContact C-N 3.27Å; P75-Y77 PolarHBondContact O-N 3Å; P75-Y78 VanDerWaalsContact CA-CE1 3.43Å; P75-Y78 HydrophobicContact CB-CE1 4.17Å; P75-Y78 HydrophobicContact CB-CE2 4.17Å; P75-Y78 HydrophobicContact CG-CE1 4.1Å; P75-Y78 WeakPolarHBondContact CG-OH 3.33Å; P75-R79 WeakPolarHBondContact O-CB 3.16Å; P75-R79 PolarHBondContact O-N 2.88Å; P75-R79 VanDerWaalsContact O-N 3.07Å
76M93.3Very high93.3Very high113 Ų11359 Ų5956%0.55730%0.297SS*.Hα-helixtrans-68.5-30.1178.387.2-165.6-86.400112.1L73 A74L73-M76 HydrophobicContact CB-SD 4.15Å; L73-M76 HydrophobicContact CD2-SD 4.22Å; L73-M76 WeakPolarHBondContact O-CG 3.29Å; L73-M76 PolarHBondContact O-N 3.28Å; A74-M76 PolarHBondContact O-N 3.03Å
77Y93.7Very high93.7Very high31 Ų3158.1 Ų58.112%0.12229%0.288CS..Hα-helixtrans-85-42.1-176.8-60.3-60.4000111.8K8 A41 W62 T64 L73 A74 P75K8-Y77 WeakPolarHBondContact CE-O 3.34Å; K8-Y77 PolarHBondContact NZ-O 2.82Å; A41-Y77 HydrophobicContact CB-CD1 3.82Å; A41-Y77 HydrophobicContact CB-CD2 4.08Å; A41-Y77 HydrophobicContact CB-CE1 3.43Å; A41-Y77 VanDerWaalsContact CB-CE1 3.43Å; A41-Y77 HydrophobicContact CB-CE2 3.71Å; A41-Y77 HydrophobicContact CB-CG 4.13Å; W62-Y77 HydrophobicContact CD2-CD1 4.12Å; W62-Y77 AromaticContact CE3-CD1 3.6Å; W62-Y77 HydrophobicContact CE3-CD1 3.6Å; W62-Y77 AromaticContact CE3-CE1 3.83Å; W62-Y77 HydrophobicContact CE3-CE1 3.83Å; W62-Y77 HydrophobicContact CZ3-CD1 4.12Å; W62-Y77 AromaticContact CZ3-CE1 3.96Å; W62-Y77 HydrophobicContact CZ3-CE1 3.96Å; T64-Y77 HydrophobicContact CG2-CD2 4.03Å; T64-Y77 HydrophobicContact CG2-CG 4.15Å; L73-Y77 HydrophobicContact CB-CE2 3.91Å; L73-Y77 WeakPolarHBondContact O-CD2 3.45Å; A74-Y77 PolarHBondContact O-N 3.47Å; P75-Y77 VanDerWaalsContact C-N 3.27Å; P75-Y77 PolarHBondContact O-N 3Å
78Y92.8Very high94Very high8 Ų854.8 Ų54.83%0.03127%0.272CS..Hα-helixtrans-79.5-17.3177.166-120.1000113.8L12 A74 P75 G80 A81 E105 L106 K109 A110L12-Y78 HydrophobicContact CD1-CD1 4.32Å; A74-Y78 HydrophobicContact CB-CD1 4.38Å; A74-Y78 HydrophobicContact CB-CE1 4.31Å; A74-Y78 WeakPolarHBondContact O-CD1 3.46Å; A74-Y78 PolarHBondContact O-N 2.87Å; A74-Y78 VanDerWaalsContact O-N 3.09Å; P75-Y78 VanDerWaalsContact CA-CE1 3.43Å; P75-Y78 HydrophobicContact CB-CE1 4.17Å; P75-Y78 HydrophobicContact CB-CE2 4.17Å; P75-Y78 HydrophobicContact CG-CE1 4.1Å; P75-Y78 WeakPolarHBondContact CG-OH 3.33Å; Y78-G80 PolarHBondContact O-N 2.94Å; Y78-G80 VanDerWaalsContact O-N 3.12Å; Y78-A81 WeakPolarHBondContact O-CB 3.27Å; Y78-A81 PolarHBondContact O-N 3.12Å; Y78-E105 HydrophobicContact CE1-CG 4.41Å; Y78-E105 PolarHBondContact OH-OE1 3.41Å; Y78-L106 HydrophobicContact CD1-CD2 4.06Å; Y78-L106 HydrophobicContact CD2-CD2 4.39Å; Y78-L106 HydrophobicContact CG-CD2 3.86Å; Y78-K109 HydrophobicContact CE2-CB 4.36Å; Y78-K109 WeakPolarHBondContact OH-CD 3.1Å; Y78-A110 HydrophobicContact CD2-CB 3.82Å; Y78-A110 HydrophobicContact CE2-CB 4.14Å
79R91.3Very high94.4Very high200 Ų20048 Ų4876%0.75524%0.241SC*.THydrogen-bonded Turntrans-56.2120.8176179.9175.9-178170.61.6111K8 P75 A81K8-R79 PolarHBondContact NZ-O 2.94Å; P75-R79 WeakPolarHBondContact O-CB 3.16Å; P75-R79 PolarHBondContact O-N 2.88Å; P75-R79 VanDerWaalsContact O-N 3.07Å; R79-A81 PolarHBondContact O-N 2.98Å
80G89.9Confident94.6Very high52 Ų5239.8 Ų39.854%0.53621%0.21SC..THydrogen-bonded Turntrans67.910.5-177.900000114.3Y78Y78-G80 PolarHBondContact O-N 2.94Å; Y78-G80 VanDerWaalsContact O-N 3.12Å
81A93.3Very high94.9Very high6 Ų639.3 Ų39.35%0.0521%0.211CC..  trans-65.3136.1166.400000108.5K8 V10 Y78 R79 T112K8-A81 HydrophobicContact CD-CB 4.43Å; K8-A81 HydrophobicContact CG-CB 4.23Å; V10-A81 HydrophobicContact CB-CB 4.28Å; V10-A81 HydrophobicContact CG1-CB 3.99Å; Y78-A81 WeakPolarHBondContact O-CB 3.27Å; Y78-A81 PolarHBondContact O-N 3.12Å; R79-A81 PolarHBondContact O-N 2.98Å; A81-T112 WeakPolarHBondContact O-CG2 3.39Å
82Q93Very high95.2Very high74 Ų7438.7 Ų38.735%0.34621%0.211SC..SBendtrans-101.6-10.9-179.4-48.2160.4-95.800111.2H7 K8 G114 V115 H169H7-Q82 VanDerWaalsContact CA-OE1 3.31Å; K8-Q82 PolarHBondContact O-N 3.48Å; Q82-G114 CarbonylContact O-C 3.56Å; Q82-G114 WeakPolarHBondContact O-CA 3.42Å; Q82-V115 PolarHBondContact O-N 2.96Å; Q82-H169 WeakPolarHBondContact CB-NE2 3.47Å; Q82-H169 PolarHBondContact O-NE2 3.04Å; Q82-H169 VanDerWaalsContact O-NE2 3.13Å
83A94.6Very high95.5Very high2 Ų237 Ų372%0.01719%0.192CC..EExtended strand (participates in β ladder)trans-138.8152163.600000110.9K8 L9 V10 V115 I165K8-A83 PolarHBondContact O-N 3.19Å; L9-A83 VanDerWaalsContact CA-O 3.32Å; L9-A83 WeakPolarHBondContact CA-O 3.5Å; L9-A83 HydrophobicContact CB-CB 4.48Å; L9-A83 HydrophobicContact CD1-CB 4.1Å; L9-A83 HydrophobicContact CG-CB 4.24Å; V10-A83 PolarHBondContact N-O 2.89Å; V10-A83 VanDerWaalsContact N-O 3.11Å; A83-V115 CarbonylContact C-O 3.57Å; A83-V115 WeakPolarHBondContact CA-O 3.27Å; A83-V115 HydrophobicContact CB-CB 4.44Å; A83-I165 HydrophobicContact CB-CG2 3.61Å
84A96.5Very high95.7Very high5 Ų537.6 Ų37.64%0.04120%0.195CC..EExtended strand (participates in β ladder)trans-130.9138.9171.100000110.1V10 L106 V115 I116 A117V10-A84 HydrophobicContact CG1-CB 3.75Å; V10-A84 CarbonylContact O-C 3.36Å; V10-A84 VanDerWaalsContact O-CA 3.3Å; V10-A84 WeakPolarHBondContact O-CA 3.31Å; A84-L106 HydrophobicContact CB-CD1 3.62Å; A84-L106 HydrophobicContact CB-CD2 4.34Å; A84-V115 PolarHBondContact N-O 3.35Å; A84-I116 WeakPolarHBondContact O-CA 3.29Å; A84-A117 PolarHBondContact O-N 3.38Å
85V98.5Very high96.1Very high0 Ų037.4 Ų37.40%019%0.194CC..EExtended strand (participates in β ladder)trans-110.8116.9168.1-1790000107.8L9 V10 I11 L12 V87 A117 A119 L161 I165L9-V85 HydrophobicContact CD1-CG2 4.15Å; L9-V85 HydrophobicContact CD2-CG2 4.15Å; L9-V85 HydrophobicContact CG-CG2 4.45Å; V10-V85 PolarHBondContact O-N 2.99Å; I11-V85 CarbonylContact C-O 3.48Å; I11-V85 VanDerWaalsContact CA-O 3.28Å; I11-V85 WeakPolarHBondContact CA-O 3.47Å; I11-V85 HydrophobicContact CB-CB 4.36Å; I11-V85 HydrophobicContact CD1-CB 4.45Å; I11-V85 HydrophobicContact CD1-CG1 4.29Å; I11-V85 HydrophobicContact CG1-CB 4.03Å; I11-V85 HydrophobicContact CG1-CG1 4.19Å; L12-V85 PolarHBondContact N-O 2.96Å; V85-V87 HydrophobicContact CG1-CG2 3.91Å; V85-A117 CarbonylContact C-O 3.42Å; V85-A117 WeakPolarHBondContact CA-O 3.46Å; V85-A117 HydrophobicContact CG2-CB 4.47Å; V85-A119 HydrophobicContact CG1-CB 3.97Å; V85-L161 HydrophobicContact CG1-CD2 4.05Å; V85-I165 HydrophobicContact CG2-CD1 3.5Å
86V98.7Very high96.4Very high0 Ų035 Ų350%018%0.179CC..EExtended strand (participates in β ladder)trans-101.1117.2174.5-174.20000108.1L12 A99 W102 V103 L106 I116 A117 L118 A119L12-V86 WeakPolarHBondContact O-CA 3.24Å; V86-A99 HydrophobicContact CG1-CB 3.65Å; V86-W102 HydrophobicContact CG1-CB 3.78Å; V86-W102 HydrophobicContact CG2-CB 4.38Å; V86-V103 HydrophobicContact CB-CG2 4.24Å; V86-V103 HydrophobicContact CG1-CG2 4.31Å; V86-V103 HydrophobicContact CG2-CG2 4.01Å; V86-L106 HydrophobicContact CG2-CD1 3.71Å; V86-I116 HydrophobicContact CG2-CG2 4.13Å; V86-A117 PolarHBondContact N-O 3.31Å; V86-L118 CarbonylContact O-C 3.38Å; V86-L118 WeakPolarHBondContact O-CA 3.49Å; V86-A119 PolarHBondContact O-N 2.83Å
87V99Very high96.6Very high0 Ų033.4 Ų33.40%017%0.169CC..EExtended strand (participates in β ladder)trans-104.5135.4-174-170.10000110.5I11 L12 G13 V17 K19 I22 V85 A119 N121I11-V87 HydrophobicContact CD1-CG2 3.68Å; I11-V87 HydrophobicContact CG1-CG2 3.62Å; L12-V87 PolarHBondContact O-N 3.25Å; G13-V87 WeakPolarHBondContact CA-O 3.39Å; V17-V87 HydrophobicContact CB-CG1 4.15Å; V17-V87 HydrophobicContact CG2-CB 3.78Å; V17-V87 HydrophobicContact CG2-CG1 3.72Å; K19-V87 HydrophobicContact CG-CB 4.02Å; K19-V87 HydrophobicContact CG-CG2 3.96Å; I22-V87 HydrophobicContact CD1-CG1 3.93Å; I22-V87 HydrophobicContact CD1-CG2 4.1Å; V85-V87 HydrophobicContact CG1-CG2 3.91Å; V87-A119 WeakPolarHBondContact CA-O 3.29Å; V87-A119 HydrophobicContact CG2-CB 4.35Å; V87-N121 HydrophobicContact CG1-CB 3.81Å
88Y98.9Very high96.8Very high0 Ų038 Ų380%019%0.187CC..EExtended strand (participates in β ladder)trans-123.9166162.972.4-81.7000110.1I90 F96 L118 A119 N121 V131 A136 F147Y88-I90 HydrophobicContact CE2-CG2 3.97Å; Y88-F96 AromaticContact CD1-CD2 3.8Å; Y88-F96 HydrophobicContact CD1-CD2 3.8Å; Y88-F96 HydrophobicContact CD1-CE2 4.41Å; Y88-F96 HydrophobicContact CD2-CB 3.84Å; Y88-F96 HydrophobicContact CD2-CD2 4.01Å; Y88-F96 HydrophobicContact CD2-CG 4.22Å; Y88-F96 AromaticContact CE1-CD2 3.97Å; Y88-F96 HydrophobicContact CE1-CD2 3.97Å; Y88-F96 HydrophobicContact CE1-CE2 4.24Å; Y88-F96 HydrophobicContact CE2-CB 4.45Å; Y88-F96 HydrophobicContact CE2-CD2 4.19Å; Y88-F96 HydrophobicContact CE2-CG 4.45Å; Y88-F96 HydrophobicContact CG-CB 4.1Å; Y88-F96 AromaticContact CG-CD2 3.82Å; Y88-F96 HydrophobicContact CG-CD2 3.82Å; Y88-F96 HydrophobicContact CG-CG 4.38Å; Y88-L118 HydrophobicContact CD1-CD1 3.76Å; Y88-L118 HydrophobicContact CD1-CG 4.14Å; Y88-L118 HydrophobicContact CE1-CD1 4.02Å; Y88-L118 HydrophobicContact CE1-CD2 4.08Å; Y88-L118 HydrophobicContact CE1-CG 3.88Å; Y88-A119 WeakPolarHBondContact CD1-O 3.44Å; Y88-A119 PolarHBondContact N-O 3.42Å; Y88-N121 PolarHBondContact O-N 2.98Å; Y88-V131 HydrophobicContact CD2-CG2 4.28Å; Y88-V131 HydrophobicContact CE2-CB 3.92Å; Y88-V131 HydrophobicContact CE2-CG1 3.78Å; Y88-V131 HydrophobicContact CE2-CG2 4.14Å; Y88-A136 HydrophobicContact CE1-CB 4.38Å; Y88-A136 WeakPolarHBondContact OH-CB 3.19Å; Y88-F147 HydrophobicContact CE1-CE2 4.1Å; Y88-F147 WeakPolarHBondContact OH-CE2 3.36Å
89D98.9Very high97.1Very high10 Ų1037.7 Ų37.75%0.05319%0.185CC..EExtended strand (participates in β ladder)trans-99.7122.9173.8178.3-6000108.7V17 T91 N92 S95 K122V17-D89 HydrophobicContact CB-CB 4.31Å; V17-D89 HydrophobicContact CG1-CB 4.25Å; D89-T91 PolarHBondContact O-N 3.48Å; D89-T91 VanDerWaalsContact O-N 3.08Å; D89-T91 PolarHBondContact OD1-N 2.81Å; D89-T91 PolarHBondContact OD1-OG1 3.36Å; D89-T91 VanDerWaalsContact OD1-OG1 3.13Å; D89-T91 PolarHBondContact OD2-OG1 3.04Å; D89-N92 HydrophobicContact CB-CB 4.17Å; D89-N92 PolarHBondContact O-N 2.89Å; D89-S95 PolarHBondContact N-OG 3.32Å; D89-S95 PolarHBondContact O-OG 2.89Å; D89-K122 WeakPolarHBondContact OD1-CD 3.11Å; D89-K122 WeakPolarHBondContact OD2-CD 3.36Å; D89-K122 VanDerWaalsContact OD2-CE 3.22Å; D89-K122 WeakPolarHBondContact OD2-CE 3.36Å; D89-K122 IonicContact OD2-NZ 3.77Å; D89-K122 PolarHBondContact OD2-NZ 3.18Å
90I98.9Very high97.5Very high0 Ų030 Ų300%016%0.157CC..THydrogen-bonded Turntrans-61.3-21.3-177.467.3155.4000112.7Y88 N92 N121 V123 R129 A130 V131Y88-I90 HydrophobicContact CE2-CG2 3.97Å; I90-N92 VanDerWaalsContact C-N 3.31Å; I90-N121 PolarHBondContact N-O 3.41Å; I90-V123 HydrophobicContact CD1-CB 4.39Å; I90-V123 HydrophobicContact CD1-CG1 4.2Å; I90-V123 HydrophobicContact CG2-CG1 4.47Å; I90-R129 HydrophobicContact CD1-CB 4.35Å; I90-R129 HydrophobicContact CD1-CG 4.46Å; I90-A130 PolarHBondContact O-N 2.92Å; I90-V131 PolarHBondContact O-N 3.03Å
91T98.9Very high97.8Very high35 Ų3530.5 Ų30.522%0.21515%0.153CC..THydrogen-bonded Turntrans-88.32.5179.481.20000112.7D89 L125 Q128D89-T91 PolarHBondContact O-N 3.48Å; D89-T91 VanDerWaalsContact O-N 3.08Å; D89-T91 PolarHBondContact OD1-N 2.81Å; D89-T91 PolarHBondContact OD1-OG1 3.36Å; D89-T91 VanDerWaalsContact OD1-OG1 3.13Å; D89-T91 PolarHBondContact OD2-OG1 3.04Å; T91-L125 HydrophobicContact CG2-CB 3.63Å; T91-L125 HydrophobicContact CG2-CD1 4.1Å; T91-Q128 WeakPolarHBondContact CA-O 3.47Å; T91-Q128 VanDerWaalsContact CB-O 3.27Å; T91-Q128 WeakPolarHBondContact CB-O 3.42Å; T91-Q128 HydrophobicContact CG2-CB 3.83Å
92N98.7Very high98Very high60 Ų6031.4 Ų31.432%0.32116%0.155SC..  trans-138.2100.7-174.3-178.4-14.3000111.8D89 I90 N94 S95 F96D89-N92 HydrophobicContact CB-CB 4.17Å; D89-N92 PolarHBondContact O-N 2.89Å; I90-N92 VanDerWaalsContact C-N 3.31Å; N92-N94 VanDerWaalsContact C-N 3.31Å; N92-N94 PolarHBondContact O-N 2.82Å; N92-N94 WeakPolarHBondContact OD1-CB 3.47Å; N92-N94 PolarHBondContact OD1-N 3.16Å; N92-S95 WeakPolarHBondContact O-CB 2.94Å; N92-S95 PolarHBondContact O-N 2.88Å; N92-S95 VanDerWaalsContact O-N 3.08Å; N92-S95 PolarHBondContact O-OG 2.87Å; N92-S95 PolarHBondContact OD1-N 3.38Å; N92-F96 PolarHBondContact O-N 2.59Å
93Q98.6Very high98.2Very high63 Ų6327.9 Ų27.929%0.29414%0.139SC..Hα-helixtrans-55.6-41177.6-172.167.933.800113.1S95 F96 E97 A130 E135Q93-S95 PolarHBondContact O-N 3.13Å; Q93-F96 WeakPolarHBondContact O-CB 3.45Å; Q93-F96 PolarHBondContact O-N 3.31Å; Q93-E97 PolarHBondContact NE2-OE1 2.83Å; Q93-E97 VanDerWaalsContact NE2-OE1 3.16Å; Q93-E97 PolarHBondContact O-N 3.45Å; Q93-E97 VanDerWaalsContact O-N 3.07Å; Q93-A130 PolarHBondContact OE1-O 2.74Å; Q93-E135 PolarHBondContact NE2-OE1 2.98Å
94N98.6Very high98.2Very high77 Ų7731.3 Ų31.341%0.41216%0.156SC..Hα-helixtrans-61.7-37.4179.8171.483.7000111.2E14 N92 F96 E97 R98E14-N94 VanDerWaalsContact CD-ND2 3.28Å; E14-N94 PolarHBondContact OE1-ND2 2.75Å; E14-N94 PolarHBondContact OE2-ND2 3.1Å; N92-N94 VanDerWaalsContact C-N 3.31Å; N92-N94 PolarHBondContact O-N 2.82Å; N92-N94 WeakPolarHBondContact OD1-CB 3.47Å; N92-N94 PolarHBondContact OD1-N 3.16Å; N94-F96 PolarHBondContact O-N 3.12Å; N94-E97 PolarHBondContact O-N 3Å; N94-R98 WeakPolarHBondContact O-CG 3.34Å; N94-R98 PolarHBondContact O-N 3.38Å
95S98.8Very high98.1Very high0 Ų031.9 Ų31.90%016%0.158CC..Hα-helixtrans-63.7-31.417781.30000112.4E14 D89 N92 Q93 R98 A99E14-S95 VanDerWaalsContact OE2-CA 3.32Å; E14-S95 WeakPolarHBondContact OE2-CA 3.36Å; E14-S95 WeakPolarHBondContact OE2-CB 3.35Å; D89-S95 PolarHBondContact N-OG 3.32Å; D89-S95 PolarHBondContact O-OG 2.89Å; N92-S95 WeakPolarHBondContact O-CB 2.94Å; N92-S95 PolarHBondContact O-N 2.88Å; N92-S95 VanDerWaalsContact O-N 3.08Å; N92-S95 PolarHBondContact O-OG 2.87Å; N92-S95 PolarHBondContact OD1-N 3.38Å; Q93-S95 PolarHBondContact O-N 3.13Å; S95-R98 PolarHBondContact O-N 2.96Å; S95-A99 PolarHBondContact O-N 2.95Å
96F98.9Very high97.9Very high0 Ų032 Ų320%016%0.159CC..Hα-helixtrans-71.4-43173.9-177.5-131.7000111.7Y88 N92 Q93 N94 R98 A99 K100 L118 V131 E135 A136 Y139Y88-F96 AromaticContact CD1-CD2 3.8Å; Y88-F96 HydrophobicContact CD1-CD2 3.8Å; Y88-F96 HydrophobicContact CD1-CE2 4.41Å; Y88-F96 HydrophobicContact CD2-CB 3.84Å; Y88-F96 HydrophobicContact CD2-CD2 4.01Å; Y88-F96 HydrophobicContact CD2-CG 4.22Å; Y88-F96 AromaticContact CE1-CD2 3.97Å; Y88-F96 HydrophobicContact CE1-CD2 3.97Å; Y88-F96 HydrophobicContact CE1-CE2 4.24Å; Y88-F96 HydrophobicContact CE2-CB 4.45Å; Y88-F96 HydrophobicContact CE2-CD2 4.19Å; Y88-F96 HydrophobicContact CE2-CG 4.45Å; Y88-F96 HydrophobicContact CG-CB 4.1Å; Y88-F96 AromaticContact CG-CD2 3.82Å; Y88-F96 HydrophobicContact CG-CD2 3.82Å; Y88-F96 HydrophobicContact CG-CG 4.38Å; N92-F96 PolarHBondContact O-N 2.59Å; Q93-F96 WeakPolarHBondContact O-CB 3.45Å; Q93-F96 PolarHBondContact O-N 3.31Å; N94-F96 PolarHBondContact O-N 3.12Å; F96-R98 VanDerWaalsContact C-N 3.26Å; F96-R98 PolarHBondContact O-N 2.98Å; F96-A99 WeakPolarHBondContact O-CA 3.44Å; F96-A99 WeakPolarHBondContact O-CB 3.12Å; F96-A99 PolarHBondContact O-N 3.38Å; F96-K100 HydrophobicContact CE1-CD 4.48Å; F96-K100 VanDerWaalsContact CE1-NZ 3.34Å; F96-K100 HydrophobicContact CE2-CG 4.44Å; F96-K100 WeakPolarHBondContact O-CG 3.43Å; F96-K100 PolarHBondContact O-N 3.48Å; F96-L118 HydrophobicContact CE2-CD2 3.96Å; F96-V131 HydrophobicContact CB-CG1 4.36Å; F96-V131 HydrophobicContact CB-CG2 3.73Å; F96-V131 HydrophobicContact CD1-CG1 3.64Å; F96-V131 HydrophobicContact CD1-CG2 4.26Å; F96-V131 HydrophobicContact CD2-CG1 4.48Å; F96-V131 HydrophobicContact CE1-CG1 3.97Å; F96-V131 HydrophobicContact CG-CG1 3.93Å; F96-V131 HydrophobicContact CG-CG2 4.2Å; F96-E135 HydrophobicContact CE1-CG 3.99Å; F96-E135 VanDerWaalsContact CE1-OE1 3.3Å; F96-E135 WeakPolarHBondContact CE1-OE1 3.48Å; F96-A136 HydrophobicContact CE2-CB 4.25Å; F96-A136 HydrophobicContact CZ-CB 4.14Å; F96-Y139 HydrophobicContact CE2-CD1 4.22Å; F96-Y139 HydrophobicContact CZ-CD1 4.19Å; F96-Y139 HydrophobicContact CZ-CG 4.11Å
97E98.8Very high97.6Very high78 Ų7836.2 Ų36.236%0.36418%0.179SC..Hα-helixtrans-60.3-37.1172.8-60.5-5013600112.4Q93 N94 K100 S101Q93-E97 PolarHBondContact NE2-OE1 2.83Å; Q93-E97 VanDerWaalsContact NE2-OE1 3.16Å; Q93-E97 PolarHBondContact O-N 3.45Å; Q93-E97 VanDerWaalsContact O-N 3.07Å; N94-E97 PolarHBondContact O-N 3Å; E97-K100 PolarHBondContact O-N 3.22Å; E97-K100 IonicContact OE1-NZ 2.75Å; E97-K100 PolarHBondContact OE1-NZ 3.34Å; E97-K100 WeakPolarHBondContact OE2-CD 2.99Å; E97-K100 IonicContact OE2-NZ 3.35Å; E97-K100 PolarHBondContact OE2-NZ 3.33Å; E97-S101 PolarHBondContact O-N 3.42Å; E97-S101 VanDerWaalsContact O-N 3.12Å; E97-S101 PolarHBondContact O-OG 2.78Å
98R98.3Very high97.2Very high129 Ų12943 Ų4349%0.48721%0.211SC..Hα-helixtrans-67-37.6171.5-66-57.2-175.1173.6-0.8112.6E14 N94 S95 F96 S101 W102E14-R98 HydrophobicContact CB-CB 4.18Å; E14-R98 HydrophobicContact CB-CG 4.43Å; E14-R98 HydrophobicContact CG-CG 4.49Å; E14-R98 WeakPolarHBondContact OE1-CG 3.46Å; N94-R98 WeakPolarHBondContact O-CG 3.34Å; N94-R98 PolarHBondContact O-N 3.38Å; S95-R98 PolarHBondContact O-N 2.96Å; F96-R98 VanDerWaalsContact C-N 3.26Å; F96-R98 PolarHBondContact O-N 2.98Å; R98-S101 WeakPolarHBondContact O-CB 3.37Å; R98-S101 PolarHBondContact O-N 3.34Å; R98-W102 VanDerWaalsContact O-CD1 3.25Å; R98-W102 PolarHBondContact O-N 2.94Å
99A98.8Very high96.5Very high0 Ų048.5 Ų48.50%023%0.234CC..Hα-helixtrans-61.4-42.9172.700000111.6V86 S95 F96 S101 W102 V103 L118V86-A99 HydrophobicContact CG1-CB 3.65Å; S95-A99 PolarHBondContact O-N 2.95Å; F96-A99 WeakPolarHBondContact O-CA 3.44Å; F96-A99 WeakPolarHBondContact O-CB 3.12Å; F96-A99 PolarHBondContact O-N 3.38Å; A99-S101 VanDerWaalsContact C-N 3.26Å; A99-S101 PolarHBondContact O-N 3.42Å; A99-W102 WeakPolarHBondContact O-CB 3.35Å; A99-W102 PolarHBondContact O-N 3.04Å; A99-W102 VanDerWaalsContact O-N 3.12Å; A99-V103 WeakPolarHBondContact O-CG2 3.27Å; A99-V103 PolarHBondContact O-N 2.94Å; A99-L118 HydrophobicContact CB-CD1 4.08Å
100K98.7Very high95.1Very high38 Ų3848.7 Ų48.717%0.16524%0.237CC..Hα-helixtrans-57.9-40.9174.2-60.6177.2-172.41610111.8F96 E97 V103 N104 E135 Y139F96-K100 HydrophobicContact CE1-CD 4.48Å; F96-K100 VanDerWaalsContact CE1-NZ 3.34Å; F96-K100 HydrophobicContact CE2-CG 4.44Å; F96-K100 WeakPolarHBondContact O-CG 3.43Å; F96-K100 PolarHBondContact O-N 3.48Å; E97-K100 PolarHBondContact O-N 3.22Å; E97-K100 IonicContact OE1-NZ 2.75Å; E97-K100 PolarHBondContact OE1-NZ 3.34Å; E97-K100 WeakPolarHBondContact OE2-CD 2.99Å; E97-K100 IonicContact OE2-NZ 3.35Å; E97-K100 PolarHBondContact OE2-NZ 3.33Å; K100-V103 PolarHBondContact O-N 3.01Å; K100-N104 VanDerWaalsContact O-CG 3.28Å; K100-N104 PolarHBondContact O-N 2.85Å; K100-N104 PolarHBondContact O-OD1 3.4Å; K100-E135 IonicContact NZ-OE1 3.68Å; K100-Y139 WeakPolarHBondContact CA-OH 3.31Å; K100-Y139 HydrophobicContact CB-CE2 4.04Å; K100-Y139 HydrophobicContact CD-CD2 4.06Å; K100-Y139 HydrophobicContact CD-CE2 3.92Å; K100-Y139 HydrophobicContact CG-CD1 4.36Å; K100-Y139 HydrophobicContact CG-CD2 4.03Å; K100-Y139 HydrophobicContact CG-CE1 3.95Å; K100-Y139 HydrophobicContact CG-CE2 3.59Å; K100-Y139 HydrophobicContact CG-CG 4.41Å
101S97.3Very high93.3Very high64 Ų6455.9 Ų55.945%0.44828%0.276SS..Hα-helixtrans-62.4-42.5176-540000112.3E97 R98 A99 N104 E105E97-S101 PolarHBondContact O-N 3.42Å; E97-S101 VanDerWaalsContact O-N 3.12Å; E97-S101 PolarHBondContact O-OG 2.78Å; R98-S101 WeakPolarHBondContact O-CB 3.37Å; R98-S101 PolarHBondContact O-N 3.34Å; A99-S101 VanDerWaalsContact C-N 3.26Å; A99-S101 PolarHBondContact O-N 3.42Å; S101-N104 PolarHBondContact O-N 3.09Å; S101-E105 PolarHBondContact O-N 3.33Å
102W96.7Very high91.4Very high25 Ų2556.1 Ų56.110%0.09528%0.277CS..Hα-helixtrans-65-39.8175-80.8117.6000113.2L12 H71 A74 V86 R98 A99 E105 L106L12-W102 HydrophobicContact CB-CD2 4.19Å; L12-W102 HydrophobicContact CB-CE3 4.44Å; L12-W102 HydrophobicContact CB-CG 4.32Å; L12-W102 HydrophobicContact CD1-CE3 4.07Å; L12-W102 HydrophobicContact CD1-CZ3 4.46Å; L12-W102 HydrophobicContact CD2-CD2 4.49Å; L12-W102 HydrophobicContact CD2-CE3 4.15Å; L12-W102 HydrophobicContact CD2-CH2 4.07Å; L12-W102 HydrophobicContact CD2-CZ2 4.42Å; L12-W102 HydrophobicContact CD2-CZ3 3.95Å; L12-W102 HydrophobicContact CG-CE3 4.46Å; H71-W102 AromaticContact CE1-CH2 3.43Å; H71-W102 VanDerWaalsContact CE1-CH2 3.43Å; H71-W102 WeakPolarHBondContact CE1-CH2 3.07Å; H71-W102 AromaticContact CE1-CZ2 3.92Å; H71-W102 AromaticContact CE1-CZ3 3.67Å; H71-W102 AromaticContact ND1-CH2 2.99Å; H71-W102 WeakPolarHBondContact ND1-CH2 3.45Å; H71-W102 AromaticContact ND1-CZ2 3.31Å; H71-W102 VanDerWaalsContact ND1-CZ2 3.31Å; H71-W102 WeakPolarHBondContact ND1-CZ2 3.25Å; H71-W102 AromaticContact ND1-CZ3 3.73Å; A74-W102 HydrophobicContact CB-CH2 3.37Å; A74-W102 HydrophobicContact CB-CZ3 3.59Å; V86-W102 HydrophobicContact CG1-CB 3.78Å; V86-W102 HydrophobicContact CG2-CB 4.38Å; R98-W102 VanDerWaalsContact O-CD1 3.25Å; R98-W102 PolarHBondContact O-N 2.94Å; A99-W102 WeakPolarHBondContact O-CB 3.35Å; A99-W102 PolarHBondContact O-N 3.04Å; A99-W102 VanDerWaalsContact O-N 3.12Å; W102-E105 PolarHBondContact O-N 3.46Å; W102-L106 WeakPolarHBondContact O-CG 3.18Å; W102-L106 PolarHBondContact O-N 3.16Å
103V97.2Very high89.8Confident0 Ų058 Ų580%030%0.295CS..Hα-helixtrans-61.1-49.2175.9169.50000110.4V86 A99 K100 E105 L106 Q107 I116 Y139 L145V86-V103 HydrophobicContact CB-CG2 4.24Å; V86-V103 HydrophobicContact CG1-CG2 4.31Å; V86-V103 HydrophobicContact CG2-CG2 4.01Å; A99-V103 WeakPolarHBondContact O-CG2 3.27Å; A99-V103 PolarHBondContact O-N 2.94Å; K100-V103 PolarHBondContact O-N 3.01Å; V103-E105 VanDerWaalsContact C-N 3.31Å; V103-E105 PolarHBondContact O-N 3.28Å; V103-L106 PolarHBondContact O-N 2.76Å; V103-Q107 HydrophobicContact CG1-CG 4.44Å; V103-Q107 WeakPolarHBondContact O-CG 3.42Å; V103-Q107 PolarHBondContact O-N 2.9Å; V103-I116 HydrophobicContact CG2-CG2 4.42Å; V103-Y139 WeakPolarHBondContact CB-OH 3.16Å; V103-Y139 WeakPolarHBondContact CG1-OH 3.1Å; V103-Y139 HydrophobicContact CG2-CE1 4.38Å; V103-L145 HydrophobicContact CG1-CD1 3.96Å; V103-L145 HydrophobicContact CG1-CD2 3.9Å; V103-L145 HydrophobicContact CG2-CD1 3.84Å
104N95.4Very high89Confident73 Ų7356 Ų5639%0.3929%0.291SS..Hα-helixtrans-58.5-45.3177.6-66.4-10.7000110.8K100 S101 L106 Q107 E108K100-N104 VanDerWaalsContact O-CG 3.28Å; K100-N104 PolarHBondContact O-N 2.85Å; K100-N104 PolarHBondContact O-OD1 3.4Å; S101-N104 PolarHBondContact O-N 3.09Å; N104-L106 PolarHBondContact O-N 2.94Å; N104-Q107 PolarHBondContact O-N 3.37Å; N104-E108 WeakPolarHBondContact O-CB 3.47Å; N104-E108 WeakPolarHBondContact O-CG 3.3Å; N104-E108 PolarHBondContact O-N 3.12Å
105E94Very high88.7Confident17 Ų1752.5 Ų52.58%0.07927%0.273CS..Hα-helixtrans-60-43.9177.4176.6165.2-179.300112.8H71 Y78 S101 W102 V103 E108 K109H71-E105 IonicContact CE1-OE2 2.99Å; H71-E105 PolarHBondContact CE1-OE2 3.21Å; H71-E105 IonicContact NE2-OE2 2.78Å; H71-E105 PolarHBondContact NE2-OE2 2.84Å; Y78-E105 HydrophobicContact CE1-CG 4.41Å; Y78-E105 PolarHBondContact OH-OE1 3.41Å; S101-E105 PolarHBondContact O-N 3.33Å; W102-E105 PolarHBondContact O-N 3.46Å; V103-E105 VanDerWaalsContact C-N 3.31Å; V103-E105 PolarHBondContact O-N 3.28Å; E105-E108 PolarHBondContact O-N 3.18Å; E105-K109 VanDerWaalsContact CD-NZ 3.29Å; E105-K109 HydrophobicContact CG-CD 3.81Å; E105-K109 HydrophobicContact CG-CG 4.3Å; E105-K109 WeakPolarHBondContact O-CB 3.44Å; E105-K109 PolarHBondContact O-N 3.1Å; E105-K109 IonicContact OE1-NZ 2.7Å; E105-K109 PolarHBondContact OE1-NZ 3.43Å; E105-K109 IonicContact OE2-NZ 3.6Å
106L93.8Very high88.6Confident2 Ų253.4 Ų53.41%0.0128%0.277CS..Hα-helixtrans-63.1-44.1177.9-74.7168.1000111.5L12 Y78 A84 V86 W102 V103 N104 E108 A110 I116L12-L106 HydrophobicContact CD1-CD1 3.92Å; L12-L106 HydrophobicContact CD1-CD2 3.79Å; L12-L106 HydrophobicContact CD1-CG 4.03Å; Y78-L106 HydrophobicContact CD1-CD2 4.06Å; Y78-L106 HydrophobicContact CD2-CD2 4.39Å; Y78-L106 HydrophobicContact CG-CD2 3.86Å; A84-L106 HydrophobicContact CB-CD1 3.62Å; A84-L106 HydrophobicContact CB-CD2 4.34Å; V86-L106 HydrophobicContact CG2-CD1 3.71Å; W102-L106 WeakPolarHBondContact O-CG 3.18Å; W102-L106 PolarHBondContact O-N 3.16Å; V103-L106 PolarHBondContact O-N 2.76Å; N104-L106 PolarHBondContact O-N 2.94Å; L106-E108 VanDerWaalsContact C-N 3.32Å; L106-E108 PolarHBondContact O-N 3.39Å; L106-A110 HydrophobicContact CD2-CB 4.15Å; L106-A110 WeakPolarHBondContact O-CB 3.38Å; L106-A110 PolarHBondContact O-N 2.88Å; L106-I116 HydrophobicContact CB-CD1 3.82Å; L106-I116 HydrophobicContact CD1-CD1 4.29Å; L106-I116 HydrophobicContact CD1-CG2 4.3Å
107Q92.6Very high88.5Confident89 Ų8953.4 Ų53.442%0.41628%0.277SS..Hα-helixtrans-65.2-36.1179.4-71.4176.8-18.500112.2V103 N104 I116 N143V103-Q107 HydrophobicContact CG1-CG 4.44Å; V103-Q107 WeakPolarHBondContact O-CG 3.42Å; V103-Q107 PolarHBondContact O-N 2.9Å; N104-Q107 PolarHBondContact O-N 3.37Å; Q107-I116 HydrophobicContact CG-CD1 3.89Å; Q107-N143 PolarHBondContact NE2-O 3.39Å
108E90.3Very high88.5Confident144 Ų14449.7 Ų49.767%0.67326%0.26SS*.Hα-helixtrans-78.9-45.4178.8-72.9177.7-17800113.4N104 E105 L106N104-E108 WeakPolarHBondContact O-CB 3.47Å; N104-E108 WeakPolarHBondContact O-CG 3.3Å; N104-E108 PolarHBondContact O-N 3.12Å; E105-E108 PolarHBondContact O-N 3.18Å; L106-E108 VanDerWaalsContact C-N 3.32Å; L106-E108 PolarHBondContact O-N 3.39Å
109K83.8Confident88.6Confident114 Ų11443.5 Ų43.550%0.49624%0.236SC..Hα-helixtrans-106.5-28.5-164.4-60.1-173.6-163.8162.20114.4Y78 E105 N111Y78-K109 HydrophobicContact CE2-CB 4.36Å; Y78-K109 WeakPolarHBondContact OH-CD 3.1Å; E105-K109 VanDerWaalsContact CD-NZ 3.29Å; E105-K109 HydrophobicContact CG-CD 3.81Å; E105-K109 HydrophobicContact CG-CG 4.3Å; E105-K109 WeakPolarHBondContact O-CB 3.44Å; E105-K109 PolarHBondContact O-N 3.1Å; E105-K109 IonicContact OE1-NZ 2.7Å; E105-K109 PolarHBondContact OE1-NZ 3.43Å; E105-K109 IonicContact OE2-NZ 3.6Å; K109-N111 PolarHBondContact O-N 2.92Å
110A69.1Low88.6Confident14 Ų1443.5 Ų43.512%0.11624%0.236CC..SBendtrans-74.5-19-171.600000111.3Y78 L106 T112Y78-A110 HydrophobicContact CD2-CB 3.82Å; Y78-A110 HydrophobicContact CE2-CB 4.14Å; L106-A110 HydrophobicContact CD2-CB 4.15Å; L106-A110 WeakPolarHBondContact O-CB 3.38Å; L106-A110 PolarHBondContact O-N 2.88Å; A110-T112 HydrophobicContact CB-CG2 3.48Å; A110-T112 VanDerWaalsContact CB-CG2 3.48Å; A110-T112 WeakPolarHBondContact O-CG2 3.42Å; A110-T112 PolarHBondContact O-N 3.21Å
111N62Low88.6Confident151 Ų15141.9 Ų41.981%0.80723%0.23SC*.  trans4821.2-168.4-79.6-13.9000111.9K109 S113K109-N111 PolarHBondContact O-N 2.92Å; N111-S113 PolarHBondContact O-N 2.75Å
112T58.7Low88.6Confident40 Ų4041.2 Ų41.225%0.24522%0.218CC..  trans-80.6116.6-172.152.90000107.6A81 A110 G114A81-T112 WeakPolarHBondContact O-CG2 3.39Å; A110-T112 HydrophobicContact CB-CG2 3.48Å; A110-T112 VanDerWaalsContact CB-CG2 3.48Å; A110-T112 WeakPolarHBondContact O-CG2 3.42Å; A110-T112 PolarHBondContact O-N 3.21Å; T112-G114 PolarHBondContact O-N 3.17Å
113S65.9Low88.7Confident101 Ų10141.1 Ų41.171%0.70622%0.221SC*.  trans-66.815.6155.154.10000112.5N111N111-S113 PolarHBondContact O-N 2.75Å
114G82.2Confident88.8Confident19 Ų1943.6 Ų43.620%0.19623%0.234CC..SBendtrans-82.7165.9-175.800000112.7Q82 T112Q82-G114 CarbonylContact O-C 3.56Å; Q82-G114 WeakPolarHBondContact O-CA 3.42Å; T112-G114 PolarHBondContact O-N 3.17Å
115V91.7Very high89Confident5 Ų542.7 Ų42.73%0.0323%0.229CC..EExtended strand (participates in β ladder)trans-79.6126.2-178.9-167.90000109.5Q82 A83 A84 L146 F168 H169Q82-V115 PolarHBondContact O-N 2.96Å; A83-V115 CarbonylContact C-O 3.57Å; A83-V115 WeakPolarHBondContact CA-O 3.27Å; A83-V115 HydrophobicContact CB-CB 4.44Å; A84-V115 PolarHBondContact N-O 3.35Å; V115-L146 HydrophobicContact CG1-CD1 3.49Å; V115-L146 VanDerWaalsContact CG1-CD1 3.49Å; V115-L146 HydrophobicContact CG1-CG 3.91Å; V115-F168 HydrophobicContact CB-CD1 4.08Å; V115-F168 HydrophobicContact CG1-CB 4.11Å; V115-F168 HydrophobicContact CG1-CD1 3.8Å; V115-F168 HydrophobicContact CG1-CE1 4.3Å; V115-F168 HydrophobicContact CG1-CG 3.91Å; V115-F168 HydrophobicContact CG2-CB 4.06Å; V115-F168 HydrophobicContact CG2-CD1 3.2Å; V115-F168 HydrophobicContact CG2-CE1 3.9Å; V115-F168 HydrophobicContact CG2-CG 3.94Å; V115-H169 HydrophobicContact CG2-CB 4.48Å
116I95.7Very high89.1Confident18 Ų1846.7 Ų46.79%0.09225%0.248CC..EExtended strand (participates in β ladder)trans-104123.5168.9-54.3176.6000107.8A84 V86 V103 L106 Q107 L145 L146A84-I116 WeakPolarHBondContact O-CA 3.29Å; V86-I116 HydrophobicContact CG2-CG2 4.13Å; V103-I116 HydrophobicContact CG2-CG2 4.42Å; L106-I116 HydrophobicContact CB-CD1 3.82Å; L106-I116 HydrophobicContact CD1-CD1 4.29Å; L106-I116 HydrophobicContact CD1-CG2 4.3Å; Q107-I116 HydrophobicContact CG-CD1 3.89Å; I116-L145 HydrophobicContact CB-CD2 3.87Å; I116-L145 HydrophobicContact CG2-CD2 3.87Å; I116-L145 WeakPolarHBondContact O-CA 3.38Å; I116-L146 PolarHBondContact O-N 2.82Å
117A97.9Very high89.4Confident0 Ų050.8 Ų50.80%029%0.29CS..EExtended strand (participates in β ladder)trans-110.1130.5172.600000110.2A84 V85 V86 L146 L161 I165A84-A117 PolarHBondContact O-N 3.38Å; V85-A117 CarbonylContact C-O 3.42Å; V85-A117 WeakPolarHBondContact CA-O 3.46Å; V85-A117 HydrophobicContact CG2-CB 4.47Å; V86-A117 PolarHBondContact N-O 3.31Å; A117-L146 CarbonylContact C-O 3.54Å; A117-L146 VanDerWaalsContact CA-O 3.24Å; A117-L146 WeakPolarHBondContact CA-O 3.38Å; A117-L146 HydrophobicContact CB-CB 3.89Å; A117-L161 HydrophobicContact CB-CD1 3.94Å; A117-I165 HydrophobicContact CB-CD1 3.87Å; A117-I165 HydrophobicContact CB-CG1 4Å
118L98.8Very high89.7Confident0 Ų052.5 Ų52.50%030%0.298CS..EExtended strand (participates in β ladder)trans-91.8128.6168.4-17971.1000109V86 Y88 F96 A99 Y139 A140 L145 L146 F147 M148V86-L118 CarbonylContact O-C 3.38Å; V86-L118 WeakPolarHBondContact O-CA 3.49Å; Y88-L118 HydrophobicContact CD1-CD1 3.76Å; Y88-L118 HydrophobicContact CD1-CG 4.14Å; Y88-L118 HydrophobicContact CE1-CD1 4.02Å; Y88-L118 HydrophobicContact CE1-CD2 4.08Å; Y88-L118 HydrophobicContact CE1-CG 3.88Å; F96-L118 HydrophobicContact CE2-CD2 3.96Å; A99-L118 HydrophobicContact CB-CD1 4.08Å; L118-Y139 HydrophobicContact CD2-CD1 4.04Å; L118-A140 HydrophobicContact CD2-CB 4.33Å; L118-L145 HydrophobicContact CB-CD1 4.09Å; L118-L146 PolarHBondContact N-O 2.67Å; L118-F147 HydrophobicContact CB-CD2 4.06Å; L118-F147 HydrophobicContact CD2-CD2 3.78Å; L118-F147 HydrophobicContact CD2-CE2 4.15Å; L118-F147 HydrophobicContact CG-CD2 3.93Å; L118-F147 HydrophobicContact CG-CE2 4.37Å; L118-F147 WeakPolarHBondContact O-CA 3.22Å; L118-F147 WeakPolarHBondContact O-CD2 3.38Å; L118-M148 PolarHBondContact O-N 2.92Å; L118-M148 VanDerWaalsContact O-N 3.17Å
119A99Very high90.1Very high0 Ų048.4 Ų48.40%028%0.277CS..EExtended strand (participates in β ladder)trans-121.2113.517900000111.5V85 V86 V87 Y88 N121 M148 L161V85-A119 HydrophobicContact CG1-CB 3.97Å; V86-A119 PolarHBondContact O-N 2.83Å; V87-A119 WeakPolarHBondContact CA-O 3.29Å; V87-A119 HydrophobicContact CG2-CB 4.35Å; Y88-A119 WeakPolarHBondContact CD1-O 3.44Å; Y88-A119 PolarHBondContact N-O 3.42Å; A119-N121 PolarHBondContact O-N 3.23Å; A119-M148 VanDerWaalsContact CA-O 3.3Å; A119-M148 WeakPolarHBondContact CA-O 3.48Å; A119-L161 HydrophobicContact CB-CD2 3.9Å
120G99Very high90.8Very high0 Ų045.4 Ų45.40%027%0.273CS..EExtended strand (participates in β ladder)trans-84.3100.1170.700000110.2M148 E149 T150G120-M148 PolarHBondContact N-O 3.01Å; G120-E149 CarbonylContact O-C 3.4Å; G120-E149 WeakPolarHBondContact O-CA 3.4Å; G120-E149 WeakPolarHBondContact O-CB 3.3Å; G120-T150 PolarHBondContact O-N 2.92Å
121N98.9Very high92.2Very high4 Ų444.7 Ų44.72%0.02127%0.267CS..EExtended strand (participates in β ladder)trans-90.9163.7-175-171.838.4000112.5V17 I22 V87 Y88 I90 A119 T150 A152V17-N121 PolarHBondContact O-ND2 2.84Å; I22-N121 HydrophobicContact CD1-CB 4.09Å; V87-N121 HydrophobicContact CG1-CB 3.81Å; Y88-N121 PolarHBondContact O-N 2.98Å; I90-N121 PolarHBondContact N-O 3.41Å; A119-N121 PolarHBondContact O-N 3.23Å; N121-T150 CarbonylContact C-O 3.44Å; N121-T150 VanDerWaalsContact CA-O 3.26Å; N121-T150 WeakPolarHBondContact CA-O 3.46Å; N121-T150 PolarHBondContact OD1-O 3.33Å; N121-T150 PolarHBondContact OD1-OG1 3.42Å; N121-A152 PolarHBondContact OD1-N 3.31Å
122K98.7Very high93.9Very high49 Ų4939.5 Ų39.521%0.21324%0.243CC..  trans73.936.1178.2-45.4-169.6-165.71670114.5A16 D89 D124 L125 T150A16-K122 WeakPolarHBondContact O-CE 3.48Å; A16-K122 PolarHBondContact O-NZ 2.86Å; D89-K122 WeakPolarHBondContact OD1-CD 3.11Å; D89-K122 WeakPolarHBondContact OD2-CD 3.36Å; D89-K122 VanDerWaalsContact OD2-CE 3.22Å; D89-K122 WeakPolarHBondContact OD2-CE 3.36Å; D89-K122 IonicContact OD2-NZ 3.77Å; D89-K122 PolarHBondContact OD2-NZ 3.18Å; K122-D124 WeakPolarHBondContact CA-OD1 3.45Å; K122-D124 PolarHBondContact O-N 3.5Å; K122-D124 VanDerWaalsContact O-N 3.07Å; K122-L125 HydrophobicContact CB-CD1 4.21Å; K122-L125 HydrophobicContact CB-CG 4.43Å; K122-L125 HydrophobicContact CD-CD1 4.21Å; K122-L125 WeakPolarHBondContact O-CB 3.38Å; K122-L125 PolarHBondContact O-N 3.14Å; K122-T150 PolarHBondContact N-O 3.32Å
123V98.8Very high95.8Very high24 Ų2441.8 Ų41.815%0.14525%0.249CC..G310 helixtrans-61-14.8173.2-590000114.5I90 L125 E126 E149 T150 T156I90-V123 HydrophobicContact CD1-CB 4.39Å; I90-V123 HydrophobicContact CD1-CG1 4.2Å; I90-V123 HydrophobicContact CG2-CG1 4.47Å; V123-L125 PolarHBondContact O-N 2.92Å; V123-E126 PolarHBondContact O-N 2.99Å; V123-E149 HydrophobicContact CG1-CB 3.48Å; V123-E149 VanDerWaalsContact CG1-CB 3.48Å; V123-E149 HydrophobicContact CG1-CG 4.37Å; V123-E149 WeakPolarHBondContact CG1-OE2 3.35Å; V123-T150 PolarHBondContact N-O 3.04Å; V123-T156 HydrophobicContact CG2-CG2 4.1Å
124D98.7Very high97.4Very high52 Ų5243.2 Ų43.228%0.27825%0.245SC..G310 helixtrans-62.7-16.9167.955-74.4000113.3K122 S151 K153 I154K122-D124 WeakPolarHBondContact CA-OD1 3.45Å; K122-D124 PolarHBondContact O-N 3.5Å; K122-D124 VanDerWaalsContact O-N 3.07Å; D124-S151 WeakPolarHBondContact OD1-CB 3.42Å; D124-S151 PolarHBondContact OD1-OG 2.69Å; D124-K153 WeakPolarHBondContact OD2-CD 3.32Å; D124-I154 HydrophobicContact CB-CD1 4.05Å; D124-I154 HydrophobicContact CB-CG1 4.12Å; D124-I154 HydrophobicContact CB-CG2 4.26Å
125L98.4Very high98.2Very high54 Ų5445.3 Ų45.328%0.28325%0.25SC..G310 helixtrans-10233177.1-56-179000112.6T91 K122 V123 G127 Q128T91-L125 HydrophobicContact CG2-CB 3.63Å; T91-L125 HydrophobicContact CG2-CD1 4.1Å; K122-L125 HydrophobicContact CB-CD1 4.21Å; K122-L125 HydrophobicContact CB-CG 4.43Å; K122-L125 HydrophobicContact CD-CD1 4.21Å; K122-L125 WeakPolarHBondContact O-CB 3.38Å; K122-L125 PolarHBondContact O-N 3.14Å; V123-L125 PolarHBondContact O-N 2.92Å; L125-G127 PolarHBondContact O-N 2.84Å; L125-Q128 WeakPolarHBondContact O-CA 3.4Å; L125-Q128 WeakPolarHBondContact O-CB 3.37Å; L125-Q128 PolarHBondContact O-N 2.8Å
126E98.1Very high98.5Very high101 Ų10145.1 Ų45.147%0.47225%0.248SC..G310 helixtrans-47.6-39.7-176.7-171.359.4-152.100114.1V123 Q128 R129V123-E126 PolarHBondContact O-N 2.99Å; E126-Q128 PolarHBondContact O-N 3.24Å; E126-R129 VanDerWaalsContact CD-NE 3.29Å; E126-R129 VanDerWaalsContact O-CB 3.26Å; E126-R129 WeakPolarHBondContact O-CB 3.45Å; E126-R129 PolarHBondContact O-N 2.83Å; E126-R129 IonicContact OE1-CZ 3.46Å; E126-R129 IonicContact OE1-NE 2.76Å; E126-R129 PolarHBondContact OE1-NE 2.83Å; E126-R129 IonicContact OE1-NH2 2.94Å; E126-R129 IonicContact OE2-CZ 3.54Å; E126-R129 IonicContact OE2-NE 2.76Å; E126-R129 PolarHBondContact OE2-NE 3.27Å; E126-R129 VanDerWaalsContact OE2-NE 3.16Å; E126-R129 IonicContact OE2-NH2 3.42Å; E126-R129 PolarHBondContact OE2-NH2 3.3Å
127G98.4Very high98.7Very high88 Ų8846.8 Ų46.891%0.90726%0.256SS*.G310 helixtrans-65-8.2177.600000115.3L125L125-G127 PolarHBondContact O-N 2.84Å
128Q98.6Very high98.7Very high125 Ų12553.6 Ų53.658%0.58429%0.288SS*.G310 helixtrans-115.110.5177.5-60.2175.454.800112.1T91 L125 E126 A130T91-Q128 WeakPolarHBondContact CA-O 3.47Å; T91-Q128 VanDerWaalsContact CB-O 3.27Å; T91-Q128 WeakPolarHBondContact CB-O 3.42Å; T91-Q128 HydrophobicContact CG2-CB 3.83Å; L125-Q128 WeakPolarHBondContact O-CA 3.4Å; L125-Q128 WeakPolarHBondContact O-CB 3.37Å; L125-Q128 PolarHBondContact O-N 2.8Å; E126-Q128 PolarHBondContact O-N 3.24Å; Q128-A130 PolarHBondContact O-N 3.11Å
129R98.7Very high98.7Very high58 Ų5855 Ų5522%0.21929%0.293CS..  trans-55.1128.5-179.1179.5179.5-71.7-85.85.9111.2I90 E126 V131 E149I90-R129 HydrophobicContact CD1-CB 4.35Å; I90-R129 HydrophobicContact CD1-CG 4.46Å; E126-R129 VanDerWaalsContact CD-NE 3.29Å; E126-R129 VanDerWaalsContact O-CB 3.26Å; E126-R129 WeakPolarHBondContact O-CB 3.45Å; E126-R129 PolarHBondContact O-N 2.83Å; E126-R129 IonicContact OE1-CZ 3.46Å; E126-R129 IonicContact OE1-NE 2.76Å; E126-R129 PolarHBondContact OE1-NE 2.83Å; E126-R129 IonicContact OE1-NH2 2.94Å; E126-R129 IonicContact OE2-CZ 3.54Å; E126-R129 IonicContact OE2-NE 2.76Å; E126-R129 PolarHBondContact OE2-NE 3.27Å; E126-R129 VanDerWaalsContact OE2-NE 3.16Å; E126-R129 IonicContact OE2-NH2 3.42Å; E126-R129 PolarHBondContact OE2-NH2 3.3Å; R129-V131 VanDerWaalsContact CD-O 3.28Å; R129-V131 WeakPolarHBondContact CD-O 3.16Å; R129-V131 WeakPolarHBondContact CG-O 3.43Å; R129-V131 PolarHBondContact NH1-O 3.03Å; R129-E149 IonicContact CZ-OE1 3.16Å; R129-E149 IonicContact CZ-OE2 2.67Å; R129-E149 IonicContact NH1-OE1 3.49Å; R129-E149 PolarHBondContact NH1-OE1 2.98Å; R129-E149 IonicContact NH1-OE2 2.72Å; R129-E149 IonicContact NH2-OE1 3.61Å; R129-E149 PolarHBondContact NH2-OE1 2.87Å; R129-E149 IonicContact NH2-OE2 3.34Å; R129-E149 PolarHBondContact NH2-OE2 3.49Å
130A98.7Very high98.7Very high50 Ų5055 Ų5541%0.41329%0.293SS..  trans-111-26.3174.100000112.1I90 Q93 Q128I90-A130 PolarHBondContact O-N 2.92Å; Q93-A130 PolarHBondContact OE1-O 2.74Å; Q128-A130 PolarHBondContact O-N 3.11Å
131V98.8Very high98.7Very high0 Ų059.8 Ų59.80%032%0.319CS..SBendtrans-108.8121.2177.9-175.60000108.5Y88 I90 F96 R129 A136Y88-V131 HydrophobicContact CD2-CG2 4.28Å; Y88-V131 HydrophobicContact CE2-CB 3.92Å; Y88-V131 HydrophobicContact CE2-CG1 3.78Å; Y88-V131 HydrophobicContact CE2-CG2 4.14Å; I90-V131 PolarHBondContact O-N 3.03Å; F96-V131 HydrophobicContact CB-CG1 4.36Å; F96-V131 HydrophobicContact CB-CG2 3.73Å; F96-V131 HydrophobicContact CD1-CG1 3.64Å; F96-V131 HydrophobicContact CD1-CG2 4.26Å; F96-V131 HydrophobicContact CD2-CG1 4.48Å; F96-V131 HydrophobicContact CE1-CG1 3.97Å; F96-V131 HydrophobicContact CG-CG1 3.93Å; F96-V131 HydrophobicContact CG-CG2 4.2Å; R129-V131 VanDerWaalsContact CD-O 3.28Å; R129-V131 WeakPolarHBondContact CD-O 3.16Å; R129-V131 WeakPolarHBondContact CG-O 3.43Å; R129-V131 PolarHBondContact NH1-O 3.03Å; V131-A136 HydrophobicContact CG1-CB 4.3Å
132S98.7Very high98.6Very high42 Ų4267.8 Ų67.829%0.29435%0.353SS..  trans-72.8154178.785.80000111.7E134 E135 A136S132-E134 VanDerWaalsContact C-N 3.25Å; S132-E134 WeakPolarHBondContact CB-OE2 3.33Å; S132-E134 PolarHBondContact O-N 3.38Å; S132-E134 PolarHBondContact OG-N 2.92Å; S132-E134 PolarHBondContact OG-OE2 3.12Å; S132-E135 PolarHBondContact O-N 3.25Å; S132-E135 WeakPolarHBondContact OG-CB 3.38Å; S132-E135 PolarHBondContact OG-N 3.32Å; S132-A136 PolarHBondContact O-N 3.1Å
133F98.8Very high98.5Very high87 Ų8767.1 Ų67.138%0.38235%0.352SS..Hα-helixtrans-59.1-42.8174177.6-87.2000110.4E135 A136 Q137 F147 E149F133-E135 PolarHBondContact O-N 3.12Å; F133-A136 PolarHBondContact O-N 3.11Å; F133-Q137 HydrophobicContact CD1-CB 4.36Å; F133-Q137 HydrophobicContact CE1-CB 4.03Å; F133-Q137 HydrophobicContact CE1-CG 4.24Å; F133-Q137 VanDerWaalsContact O-CB 3.26Å; F133-Q137 WeakPolarHBondContact O-CB 3.26Å; F133-Q137 PolarHBondContact O-N 3.46Å; F133-F147 AromaticContact CD2-CE1 3.87Å; F133-F147 HydrophobicContact CD2-CE1 3.87Å; F133-F147 HydrophobicContact CD2-CZ 4.29Å; F133-F147 HydrophobicContact CE2-CD1 4.34Å; F133-F147 AromaticContact CE2-CE1 3.56Å; F133-F147 HydrophobicContact CE2-CE1 3.56Å; F133-F147 HydrophobicContact CE2-CZ 4.31Å; F133-F147 HydrophobicContact CG-CE1 4.47Å; F133-F147 HydrophobicContact CZ-CD1 4.4Å; F133-F147 AromaticContact CZ-CE1 3.93Å; F133-F147 HydrophobicContact CZ-CE1 3.93Å; F133-E149 HydrophobicContact CD2-CG 3.87Å; F133-E149 HydrophobicContact CE2-CG 4.23Å
134E98.7Very high98.3Very high131 Ų13177 Ų7761%0.61239%0.387SS*.Hα-helixtrans-64.1-42.2-177.9-59.277.6-167.400112S132 A136 Q137 E138S132-E134 VanDerWaalsContact C-N 3.25Å; S132-E134 WeakPolarHBondContact CB-OE2 3.33Å; S132-E134 PolarHBondContact O-N 3.38Å; S132-E134 PolarHBondContact OG-N 2.92Å; S132-E134 PolarHBondContact OG-OE2 3.12Å; E134-A136 PolarHBondContact O-N 2.56Å; E134-Q137 PolarHBondContact O-N 3.22Å; E134-E138 WeakPolarHBondContact O-CB 3.49Å; E134-E138 PolarHBondContact O-N 2.96Å
135E98.7Very high98.2Very high64 Ų6475.2 Ų75.230%0.29938%0.377SS..Hα-helixtrans-61.1-46.2177.4-176-167.4163.100110.9Q93 F96 K100 S132 F133 Y139Q93-E135 PolarHBondContact NE2-OE1 2.98Å; F96-E135 HydrophobicContact CE1-CG 3.99Å; F96-E135 VanDerWaalsContact CE1-OE1 3.3Å; F96-E135 WeakPolarHBondContact CE1-OE1 3.48Å; K100-E135 IonicContact NZ-OE1 3.68Å; S132-E135 PolarHBondContact O-N 3.25Å; S132-E135 WeakPolarHBondContact OG-CB 3.38Å; S132-E135 PolarHBondContact OG-N 3.32Å; F133-E135 PolarHBondContact O-N 3.12Å; E135-Y139 WeakPolarHBondContact O-CB 3.4Å; E135-Y139 PolarHBondContact O-N 3.32Å; E135-Y139 VanDerWaalsContact O-N 3.1Å
136A98.9Very high98.1Very high0 Ų074.6 Ų74.60%037%0.374CS..Hα-helixtrans-69.5-38.8-18000000112.5Y88 F96 V131 S132 F133 E134 Y139 A140 F147Y88-A136 HydrophobicContact CE1-CB 4.38Å; Y88-A136 WeakPolarHBondContact OH-CB 3.19Å; F96-A136 HydrophobicContact CE2-CB 4.25Å; F96-A136 HydrophobicContact CZ-CB 4.14Å; V131-A136 HydrophobicContact CG1-CB 4.3Å; S132-A136 PolarHBondContact O-N 3.1Å; F133-A136 PolarHBondContact O-N 3.11Å; E134-A136 PolarHBondContact O-N 2.56Å; A136-Y139 PolarHBondContact O-N 2.76Å; A136-A140 WeakPolarHBondContact O-CB 3.26Å; A136-A140 PolarHBondContact O-N 2.98Å; A136-F147 HydrophobicContact CB-CE1 4.14Å; A136-F147 HydrophobicContact CB-CE2 3.74Å; A136-F147 HydrophobicContact CB-CZ 3.45Å; A136-F147 VanDerWaalsContact CB-CZ 3.45Å
137Q98.8Very high98.1Very high53 Ų5371.2 Ų71.225%0.24836%0.358CS..Hα-helixtrans-64.5-47.2175.6-176.568.174.600111.3F133 E134 Y139 A140 D141 F147F133-Q137 HydrophobicContact CD1-CB 4.36Å; F133-Q137 HydrophobicContact CE1-CB 4.03Å; F133-Q137 HydrophobicContact CE1-CG 4.24Å; F133-Q137 VanDerWaalsContact O-CB 3.26Å; F133-Q137 WeakPolarHBondContact O-CB 3.26Å; F133-Q137 PolarHBondContact O-N 3.46Å; E134-Q137 PolarHBondContact O-N 3.22Å; Q137-Y139 VanDerWaalsContact C-N 3.3Å; Q137-Y139 PolarHBondContact O-N 2.78Å; Q137-A140 PolarHBondContact O-N 2.81Å; Q137-A140 VanDerWaalsContact O-N 3.14Å; Q137-D141 PolarHBondContact NE2-OD1 3.5Å; Q137-D141 WeakPolarHBondContact O-CB 3.46Å; Q137-D141 VanDerWaalsContact O-CG 3.26Å; Q137-D141 PolarHBondContact O-N 3.25Å; Q137-F147 HydrophobicContact CB-CD1 4.03Å; Q137-F147 HydrophobicContact CB-CE1 4.01Å; Q137-F147 HydrophobicContact CG-CD1 4.5Å
138E98.8Very high98.1Very high144 Ų14469 Ų6967%0.67332%0.324SS*.Hα-helixtrans-60.1-43.2177.9-175.5-178.3177.100110.9E134 K142E134-E138 WeakPolarHBondContact O-CB 3.49Å; E134-E138 PolarHBondContact O-N 2.96Å; E138-K142 VanDerWaalsContact O-CB 3.25Å; E138-K142 WeakPolarHBondContact O-CB 3.48Å; E138-K142 PolarHBondContact O-N 2.85Å
139Y98.9Very high98.1Very high30 Ų3064 Ų6412%0.11830%0.301CS..Hα-helixtrans-61.6-45174.6175.8-95.2000111.9F96 K100 V103 L118 E135 A136 Q137 N143 L145F96-Y139 HydrophobicContact CE2-CD1 4.22Å; F96-Y139 HydrophobicContact CZ-CD1 4.19Å; F96-Y139 HydrophobicContact CZ-CG 4.11Å; K100-Y139 WeakPolarHBondContact CA-OH 3.31Å; K100-Y139 HydrophobicContact CB-CE2 4.04Å; K100-Y139 HydrophobicContact CD-CD2 4.06Å; K100-Y139 HydrophobicContact CD-CE2 3.92Å; K100-Y139 HydrophobicContact CG-CD1 4.36Å; K100-Y139 HydrophobicContact CG-CD2 4.03Å; K100-Y139 HydrophobicContact CG-CE1 3.95Å; K100-Y139 HydrophobicContact CG-CE2 3.59Å; K100-Y139 HydrophobicContact CG-CG 4.41Å; V103-Y139 WeakPolarHBondContact CB-OH 3.16Å; V103-Y139 WeakPolarHBondContact CG1-OH 3.1Å; V103-Y139 HydrophobicContact CG2-CE1 4.38Å; L118-Y139 HydrophobicContact CD2-CD1 4.04Å; E135-Y139 WeakPolarHBondContact O-CB 3.4Å; E135-Y139 PolarHBondContact O-N 3.32Å; E135-Y139 VanDerWaalsContact O-N 3.1Å; A136-Y139 PolarHBondContact O-N 2.76Å; Q137-Y139 VanDerWaalsContact C-N 3.3Å; Q137-Y139 PolarHBondContact O-N 2.78Å; Y139-N143 WeakPolarHBondContact CD2-ND2 3.35Å; Y139-N143 WeakPolarHBondContact CE2-ND2 3.47Å; Y139-N143 WeakPolarHBondContact O-CB 3.06Å; Y139-N143 PolarHBondContact O-N 2.99Å; Y139-N143 VanDerWaalsContact O-N 3.11Å; Y139-N143 PolarHBondContact O-ND2 3.48Å; Y139-L145 HydrophobicContact CD1-CD1 4.29Å; Y139-L145 HydrophobicContact CE1-CD1 3.8Å
140A98.7Very high98.1Very high0 Ų061.2 Ų61.20%029%0.29CS..Hα-helixtrans-62.8-45.9179.100000112.2L118 A136 Q137 K142 N143 R144 L145 F147L118-A140 HydrophobicContact CD2-CB 4.33Å; A136-A140 WeakPolarHBondContact O-CB 3.26Å; A136-A140 PolarHBondContact O-N 2.98Å; Q137-A140 PolarHBondContact O-N 2.81Å; Q137-A140 VanDerWaalsContact O-N 3.14Å; A140-K142 PolarHBondContact O-N 2.7Å; A140-N143 CarbonylContact O-C 3.53Å; A140-N143 PolarHBondContact O-N 3.35Å; A140-R144 PolarHBondContact O-N 3.1Å; A140-L145 HydrophobicContact CB-CB 4.1Å; A140-L145 PolarHBondContact O-N 3.41Å; A140-F147 HydrophobicContact CB-CB 3.46Å; A140-F147 VanDerWaalsContact CB-CB 3.46Å; A140-F147 HydrophobicContact CB-CG 4.04Å
141D98.3Very high98.1Very high100 Ų10058.9 Ų58.954%0.53527%0.271SS..Hα-helixtrans-61.8-47.1179.1-68.9-14.7000110.9Q137 N143 R144Q137-D141 PolarHBondContact NE2-OD1 3.5Å; Q137-D141 WeakPolarHBondContact O-CB 3.46Å; Q137-D141 VanDerWaalsContact O-CG 3.26Å; Q137-D141 PolarHBondContact O-N 3.25Å; D141-N143 PolarHBondContact O-N 3.49Å; D141-R144 PolarHBondContact O-N 2.87Å; D141-R144 VanDerWaalsContact O-N 3.13Å
142K98.2Very high98.1Very high172 Ų17259 Ų5975%0.74827%0.272SS*.Hα-helixtrans-56.9-36.7176.8-178179.7177.2178.80112.3E138 A140E138-K142 VanDerWaalsContact O-CB 3.25Å; E138-K142 WeakPolarHBondContact O-CB 3.48Å; E138-K142 PolarHBondContact O-N 2.85Å; A140-K142 PolarHBondContact O-N 2.7Å
143N96Very high98.1Very high34 Ų3460.6 Ų60.618%0.18227%0.273CS..THydrogen-bonded Turntrans-99.57.5-177.7-66.9-79.7000113.7Q107 Y139 A140 D141 L145Q107-N143 PolarHBondContact NE2-O 3.39Å; Y139-N143 WeakPolarHBondContact CD2-ND2 3.35Å; Y139-N143 WeakPolarHBondContact CE2-ND2 3.47Å; Y139-N143 WeakPolarHBondContact O-CB 3.06Å; Y139-N143 PolarHBondContact O-N 2.99Å; Y139-N143 VanDerWaalsContact O-N 3.11Å; Y139-N143 PolarHBondContact O-ND2 3.48Å; A140-N143 CarbonylContact O-C 3.53Å; A140-N143 PolarHBondContact O-N 3.35Å; D141-N143 PolarHBondContact O-N 3.49Å; N143-L145 VanDerWaalsContact C-N 3.29Å; N143-L145 HydrophobicContact CB-CD1 4.09Å; N143-L145 HydrophobicContact CB-CD2 4.06Å; N143-L145 HydrophobicContact CB-CG 3.8Å; N143-L145 WeakPolarHBondContact O-CD2 3.25Å; N143-L145 PolarHBondContact O-N 2.87Å
144R94.4Very high98.1Very high232 Ų23261.3 Ų61.388%0.87528%0.28SS*.THydrogen-bonded Turntrans54.642.5179.9-54.2178-178.9175.3-0113.2A140 D141A140-R144 PolarHBondContact O-N 3.1Å; D141-R144 PolarHBondContact O-N 2.87Å; D141-R144 VanDerWaalsContact O-N 3.13Å
145L96Very high98.1Very high14 Ų1457.4 Ų57.47%0.07327%0.267CS..  trans-93.2148177.5-44.3179.5000109.4V103 I116 L118 Y139 A140 N143V103-L145 HydrophobicContact CG1-CD1 3.96Å; V103-L145 HydrophobicContact CG1-CD2 3.9Å; V103-L145 HydrophobicContact CG2-CD1 3.84Å; I116-L145 HydrophobicContact CB-CD2 3.87Å; I116-L145 HydrophobicContact CG2-CD2 3.87Å; I116-L145 WeakPolarHBondContact O-CA 3.38Å; L118-L145 HydrophobicContact CB-CD1 4.09Å; Y139-L145 HydrophobicContact CD1-CD1 4.29Å; Y139-L145 HydrophobicContact CE1-CD1 3.8Å; A140-L145 HydrophobicContact CB-CB 4.1Å; A140-L145 PolarHBondContact O-N 3.41Å; N143-L145 VanDerWaalsContact C-N 3.29Å; N143-L145 HydrophobicContact CB-CD1 4.09Å; N143-L145 HydrophobicContact CB-CD2 4.06Å; N143-L145 HydrophobicContact CB-CG 3.8Å; N143-L145 WeakPolarHBondContact O-CD2 3.25Å; N143-L145 PolarHBondContact O-N 2.87Å
146L96.6Very high98.1Very high42 Ų4256.7 Ų56.722%0.2227%0.267CS..EExtended strand (participates in β ladder)trans-65.9139.2156.2-68179.9000107.9V115 I116 A117 L118 A164 I165 F168V115-L146 HydrophobicContact CG1-CD1 3.49Å; V115-L146 VanDerWaalsContact CG1-CD1 3.49Å; V115-L146 HydrophobicContact CG1-CG 3.91Å; I116-L146 PolarHBondContact O-N 2.82Å; A117-L146 CarbonylContact C-O 3.54Å; A117-L146 VanDerWaalsContact CA-O 3.24Å; A117-L146 WeakPolarHBondContact CA-O 3.38Å; A117-L146 HydrophobicContact CB-CB 3.89Å; L118-L146 PolarHBondContact N-O 2.67Å; L146-A164 HydrophobicContact CD1-CB 4.42Å; L146-I165 HydrophobicContact CD1-CG1 4.05Å; L146-F168 HydrophobicContact CD1-CB 4.13Å; L146-F168 HydrophobicContact CD1-CD2 4.43Å; L146-F168 HydrophobicContact CD1-CG 4.45Å; L146-F168 HydrophobicContact CD2-CD2 3.93Å; L146-F168 HydrophobicContact CD2-CE2 4.42Å; L146-F168 HydrophobicContact CG-CD2 4.32Å
147F98.5Very high98.1Very high29 Ų2959.5 Ų59.513%0.12728%0.282CS..EExtended strand (participates in β ladder)trans-130.5137.7175.4174.3-119000111.1Y88 L118 F133 A136 Q137 A140 E149Y88-F147 HydrophobicContact CE1-CE2 4.1Å; Y88-F147 WeakPolarHBondContact OH-CE2 3.36Å; L118-F147 HydrophobicContact CB-CD2 4.06Å; L118-F147 HydrophobicContact CD2-CD2 3.78Å; L118-F147 HydrophobicContact CD2-CE2 4.15Å; L118-F147 HydrophobicContact CG-CD2 3.93Å; L118-F147 HydrophobicContact CG-CE2 4.37Å; L118-F147 WeakPolarHBondContact O-CA 3.22Å; L118-F147 WeakPolarHBondContact O-CD2 3.38Å; F133-F147 AromaticContact CD2-CE1 3.87Å; F133-F147 HydrophobicContact CD2-CE1 3.87Å; F133-F147 HydrophobicContact CD2-CZ 4.29Å; F133-F147 HydrophobicContact CE2-CD1 4.34Å; F133-F147 AromaticContact CE2-CE1 3.56Å; F133-F147 HydrophobicContact CE2-CE1 3.56Å; F133-F147 HydrophobicContact CE2-CZ 4.31Å; F133-F147 HydrophobicContact CG-CE1 4.47Å; F133-F147 HydrophobicContact CZ-CD1 4.4Å; F133-F147 AromaticContact CZ-CE1 3.93Å; F133-F147 HydrophobicContact CZ-CE1 3.93Å; A136-F147 HydrophobicContact CB-CE1 4.14Å; A136-F147 HydrophobicContact CB-CE2 3.74Å; A136-F147 HydrophobicContact CB-CZ 3.45Å; A136-F147 VanDerWaalsContact CB-CZ 3.45Å; Q137-F147 HydrophobicContact CB-CD1 4.03Å; Q137-F147 HydrophobicContact CB-CE1 4.01Å; Q137-F147 HydrophobicContact CG-CD1 4.5Å; A140-F147 HydrophobicContact CB-CB 3.46Å; A140-F147 VanDerWaalsContact CB-CB 3.46Å; A140-F147 HydrophobicContact CB-CG 4.04Å; F147-E149 HydrophobicContact CE1-CG 4.32Å; F147-E149 HydrophobicContact CE2-CG 4.21Å; F147-E149 HydrophobicContact CZ-CG 3.62Å
148M98.7Very high98.1Very high42 Ų4257 Ų5721%0.20727%0.271CS..EExtended strand (participates in β ladder)trans-156.1132.2174.7-166.1171.1-74.100109.5L118 A119 G120 N157 E160 L161 A164L118-M148 PolarHBondContact O-N 2.92Å; L118-M148 VanDerWaalsContact O-N 3.17Å; A119-M148 VanDerWaalsContact CA-O 3.3Å; A119-M148 WeakPolarHBondContact CA-O 3.48Å; G120-M148 PolarHBondContact N-O 3.01Å; M148-N157 HydrophobicContact CG-CB 3.77Å; M148-N157 HydrophobicContact SD-CB 3.61Å; M148-E160 HydrophobicContact CE-CB 4.04Å; M148-E160 HydrophobicContact SD-CB 3.71Å; M148-L161 HydrophobicContact CB-CD1 4.18Å; M148-L161 HydrophobicContact SD-CB 3.88Å; M148-L161 PolarHBondContact SD-N 2.95Å; M148-A164 HydrophobicContact CE-CB 4.48Å
149E98.9Very high98Very high20 Ų2053.4 Ų53.49%0.09326%0.262CS..EExtended strand (participates in β ladder)trans-82.5145.4167.1-57.9-163.714500110.9G120 V123 R129 F133 F147 N157G120-E149 CarbonylContact O-C 3.4Å; G120-E149 WeakPolarHBondContact O-CA 3.4Å; G120-E149 WeakPolarHBondContact O-CB 3.3Å; V123-E149 HydrophobicContact CG1-CB 3.48Å; V123-E149 VanDerWaalsContact CG1-CB 3.48Å; V123-E149 HydrophobicContact CG1-CG 4.37Å; V123-E149 WeakPolarHBondContact CG1-OE2 3.35Å; R129-E149 IonicContact CZ-OE1 3.16Å; R129-E149 IonicContact CZ-OE2 2.67Å; R129-E149 IonicContact NH1-OE1 3.49Å; R129-E149 PolarHBondContact NH1-OE1 2.98Å; R129-E149 IonicContact NH1-OE2 2.72Å; R129-E149 IonicContact NH2-OE1 3.61Å; R129-E149 PolarHBondContact NH2-OE1 2.87Å; R129-E149 IonicContact NH2-OE2 3.34Å; R129-E149 PolarHBondContact NH2-OE2 3.49Å; F133-E149 HydrophobicContact CD2-CG 3.87Å; F133-E149 HydrophobicContact CE2-CG 4.23Å; F147-E149 HydrophobicContact CE1-CG 4.32Å; F147-E149 HydrophobicContact CE2-CG 4.21Å; F147-E149 HydrophobicContact CZ-CG 3.62Å; E149-N157 WeakPolarHBondContact O-CB 3.06Å; E149-N157 PolarHBondContact O-ND2 3.42Å
150T98.9Very high98Very high0 Ų056.5 Ų56.50%028%0.277CS..EExtended strand (participates in β ladder)trans-137.5157.8-171.760.70000111.6G120 N121 K122 V123 T156 N157 L161G120-T150 PolarHBondContact O-N 2.92Å; N121-T150 CarbonylContact C-O 3.44Å; N121-T150 VanDerWaalsContact CA-O 3.26Å; N121-T150 WeakPolarHBondContact CA-O 3.46Å; N121-T150 PolarHBondContact OD1-O 3.33Å; N121-T150 PolarHBondContact OD1-OG1 3.42Å; K122-T150 PolarHBondContact N-O 3.32Å; V123-T150 PolarHBondContact N-O 3.04Å; T150-T156 CarbonylContact C-O 3.4Å; T150-T156 VanDerWaalsContact CA-O 3.27Å; T150-T156 WeakPolarHBondContact CA-O 3.28Å; T150-N157 HydrophobicContact CG2-CB 4.04Å; T150-L161 HydrophobicContact CG2-CB 4.44Å; T150-L161 HydrophobicContact CG2-CD2 4.12Å
151S98.9Very high98Very high0 Ų056.6 Ų56.60%028%0.277CS..  trans-131.5114.7159.71730000109.2D124 K153 I154 S155 T156D124-S151 WeakPolarHBondContact OD1-CB 3.42Å; D124-S151 PolarHBondContact OD1-OG 2.69Å; S151-K153 PolarHBondContact O-N 3.08Å; S151-K153 PolarHBondContact OG-N 3.17Å; S151-K153 VanDerWaalsContact OG-N 3.12Å; S151-I154 WeakPolarHBondContact OG-CG1 3.43Å; S151-I154 PolarHBondContact OG-N 3.02Å; S151-I154 VanDerWaalsContact OG-N 3.11Å; S151-S155 CarbonylContact O-C 3.59Å; S151-S155 WeakPolarHBondContact O-CA 3.39Å; S151-S155 PolarHBondContact O-N 3.07Å; S151-T156 PolarHBondContact N-O 3.16Å; S151-T156 PolarHBondContact O-N 3.07Å
152A98.8Very high97.9Very high2 Ų251.8 Ų51.82%0.01725%0.252CS..THydrogen-bonded Turntrans-61.1-31167.500000112.5S21 I22 R25 F31 N121S21-A152 VanDerWaalsContact C-CB 3.49Å; I22-A152 HydrophobicContact CG1-CB 4.08Å; R25-A152 PolarHBondContact NE-O 3.29Å; R25-A152 PolarHBondContact NH2-O 3Å; F31-A152 HydrophobicContact CD2-CB 4.16Å; F31-A152 HydrophobicContact CE2-CB 4.37Å; N121-A152 PolarHBondContact OD1-N 3.31Å
153K98.7Very high97.8Very high77 Ų7745.9 Ų45.934%0.33523%0.23SC..THydrogen-bonded Turntrans-68.6-56-176.3-174.7165.7-175.5154.20111.5R25 F31 E33 D124 S151R25-K153 PolarHBondContact NH2-O 3.21Å; F31-K153 HydrophobicContact CD1-CB 4.36Å; F31-K153 HydrophobicContact CD1-CG 4.01Å; F31-K153 HydrophobicContact CD2-CB 4.13Å; F31-K153 HydrophobicContact CE1-CB 4.08Å; F31-K153 HydrophobicContact CE1-CD 3.92Å; F31-K153 HydrophobicContact CE1-CG 3.72Å; F31-K153 HydrophobicContact CE2-CB 3.84Å; F31-K153 HydrophobicContact CE2-CG 4.4Å; F31-K153 HydrophobicContact CG-CB 4.38Å; F31-K153 HydrophobicContact CG-CG 4.47Å; F31-K153 HydrophobicContact CZ-CB 3.81Å; F31-K153 HydrophobicContact CZ-CD 4.05Å; F31-K153 HydrophobicContact CZ-CG 3.93Å; E33-K153 VanDerWaalsContact CD-NZ 3.3Å; E33-K153 WeakPolarHBondContact OE1-CE 3.36Å; E33-K153 IonicContact OE1-NZ 3.16Å; E33-K153 PolarHBondContact OE1-NZ 3Å; E33-K153 IonicContact OE2-NZ 3.58Å; E33-K153 PolarHBondContact OE2-NZ 3.3Å; D124-K153 WeakPolarHBondContact OD2-CD 3.32Å; S151-K153 PolarHBondContact O-N 3.08Å; S151-K153 PolarHBondContact OG-N 3.17Å; S151-K153 VanDerWaalsContact OG-N 3.12Å
154I98.4Very high97.7Very high102 Ų10245.8 Ų45.852%0.52323%0.234SC..THydrogen-bonded Turntrans-99.19.1-177.964.6169.8000113.7D124 S151 T156D124-I154 HydrophobicContact CB-CD1 4.05Å; D124-I154 HydrophobicContact CB-CG1 4.12Å; D124-I154 HydrophobicContact CB-CG2 4.26Å; S151-I154 WeakPolarHBondContact OG-CG1 3.43Å; S151-I154 PolarHBondContact OG-N 3.02Å; S151-I154 VanDerWaalsContact OG-N 3.11Å; I154-T156 VanDerWaalsContact C-N 3.26Å; I154-T156 WeakPolarHBondContact CD1-OG1 3.48Å; I154-T156 WeakPolarHBondContact CG1-OG1 3.48Å; I154-T156 PolarHBondContact O-N 2.72Å
155S98.1Very high97.7Very high49 Ų4934.8 Ų34.834%0.34319%0.192SC..  trans69.77.7176.9-40.40000116.3R25 S151 N157R25-S155 VanDerWaalsContact CD-OG 3.25Å; R25-S155 WeakPolarHBondContact CD-OG 3.42Å; R25-S155 PolarHBondContact NE-OG 2.88Å; R25-S155 VanDerWaalsContact NE-OG 3.1Å; R25-S155 PolarHBondContact NH1-OG 3.21Å; S151-S155 CarbonylContact O-C 3.59Å; S151-S155 WeakPolarHBondContact O-CA 3.39Å; S151-S155 PolarHBondContact O-N 3.07Å; S155-N157 PolarHBondContact O-N 2.84Å
156T98.8Very high97.6Very high48 Ų4834.2 Ų34.229%0.29419%0.19SC..THydrogen-bonded Turntrans-56.3123.7178.6-56.80000110.8V123 T150 S151 I154 V158V123-T156 HydrophobicContact CG2-CG2 4.1Å; T150-T156 CarbonylContact C-O 3.4Å; T150-T156 VanDerWaalsContact CA-O 3.27Å; T150-T156 WeakPolarHBondContact CA-O 3.28Å; S151-T156 PolarHBondContact N-O 3.16Å; S151-T156 PolarHBondContact O-N 3.07Å; I154-T156 VanDerWaalsContact C-N 3.26Å; I154-T156 WeakPolarHBondContact CD1-OG1 3.48Å; I154-T156 WeakPolarHBondContact CG1-OG1 3.48Å; I154-T156 PolarHBondContact O-N 2.72Å; T156-V158 PolarHBondContact O-N 2.76Å
157N98.7Very high97.3Very high59 Ų5935.1 Ų35.132%0.31620%0.195SC..THydrogen-bonded Turntrans61.57.2168.7-70.6-13.5000116.8M148 E149 T150 S155 E160 L161M148-N157 HydrophobicContact CG-CB 3.77Å; M148-N157 HydrophobicContact SD-CB 3.61Å; E149-N157 WeakPolarHBondContact O-CB 3.06Å; E149-N157 PolarHBondContact O-ND2 3.42Å; T150-N157 HydrophobicContact CG2-CB 4.04Å; S155-N157 PolarHBondContact O-N 2.84Å; N157-E160 WeakPolarHBondContact CA-OE2 3.26Å; N157-L161 VanDerWaalsContact O-CB 3.31Å; N157-L161 WeakPolarHBondContact O-CB 3.46Å; N157-L161 PolarHBondContact O-N 3.31Å
158V98.8Very high96.5Very high2 Ų238.5 Ų38.51%0.01221%0.21CC..Hα-helixtrans-68.2-42.8-179174.10000111I22 R25 L26 T156 F162I22-V158 HydrophobicContact CG2-CG1 4.14Å; R25-V158 HydrophobicContact CB-CG1 4.24Å; R25-V158 HydrophobicContact CG-CB 4.02Å; R25-V158 HydrophobicContact CG-CG1 3.9Å; R25-V158 HydrophobicContact CG-CG2 3.94Å; L26-V158 HydrophobicContact CB-CG1 3.94Å; L26-V158 HydrophobicContact CD1-CG1 4.5Å; T156-V158 PolarHBondContact O-N 2.76Å; V158-F162 VanDerWaalsContact O-CD2 3.24Å; V158-F162 WeakPolarHBondContact O-CD2 3.35Å
159S97.6Very high94.9Very high68 Ų6837.4 Ų37.448%0.47620%0.204SC..Hα-helixtrans-74.9-35.4179.3-61.70000111.4F162 T163S159-F162 PolarHBondContact O-N 3.21Å; S159-T163 WeakPolarHBondContact O-CB 3.41Å; S159-T163 PolarHBondContact O-N 3.49Å; S159-T163 PolarHBondContact O-OG1 3.43Å
160E97.7Very high93.1Very high94 Ų9439.8 Ų39.844%0.43921%0.212SC..Hα-helixtrans-63.4-42.3179.8-6673.8-169.300110.8M148 N157 F162 T163 A164M148-E160 HydrophobicContact CE-CB 4.04Å; M148-E160 HydrophobicContact SD-CB 3.71Å; N157-E160 WeakPolarHBondContact CA-OE2 3.26Å; E160-F162 PolarHBondContact O-N 3.06Å; E160-T163 PolarHBondContact O-N 3.44Å; E160-A164 WeakPolarHBondContact O-CB 3.48Å; E160-A164 PolarHBondContact O-N 3.08Å
161L98.3Very high90.7Very high2 Ų248.5 Ų48.51%0.0125%0.251CS..Hα-helixtrans-56.9-50.1175.7173.662000111.6V85 A117 A119 M148 T150 N157 T163 A164 I165V85-L161 HydrophobicContact CG1-CD2 4.05Å; A117-L161 HydrophobicContact CB-CD1 3.94Å; A119-L161 HydrophobicContact CB-CD2 3.9Å; M148-L161 HydrophobicContact CB-CD1 4.18Å; M148-L161 HydrophobicContact SD-CB 3.88Å; M148-L161 PolarHBondContact SD-N 2.95Å; T150-L161 HydrophobicContact CG2-CB 4.44Å; T150-L161 HydrophobicContact CG2-CD2 4.12Å; N157-L161 VanDerWaalsContact O-CB 3.31Å; N157-L161 WeakPolarHBondContact O-CB 3.46Å; N157-L161 PolarHBondContact O-N 3.31Å; L161-T163 VanDerWaalsContact C-N 3.34Å; L161-A164 PolarHBondContact O-N 3.02Å; L161-I165 HydrophobicContact CD1-CD1 4.18Å; L161-I165 HydrophobicContact CG-CD1 4.22Å; L161-I165 WeakPolarHBondContact O-CG1 3.27Å; L161-I165 PolarHBondContact O-N 3.21Å
162F96.8Very high87.9Confident0 Ų054.6 Ų54.60%029%0.287CS..Hα-helixtrans-73.4-29.5-178.6-73.7-100000112.3L9 I22 L26 I48 F59 I61 V158 S159 E160 G166L9-F162 HydrophobicContact CD1-CD1 4.02Å; L9-F162 HydrophobicContact CD1-CE1 3.79Å; L9-F162 HydrophobicContact CD2-CE1 4.07Å; I22-F162 HydrophobicContact CG2-CE2 3.87Å; I22-F162 HydrophobicContact CG2-CZ 4.34Å; L26-F162 HydrophobicContact CD1-CB 4.27Å; L26-F162 HydrophobicContact CD1-CD2 4.03Å; L26-F162 HydrophobicContact CD1-CG 4.11Å; L26-F162 HydrophobicContact CD2-CB 4.48Å; L26-F162 HydrophobicContact CD2-CD1 3.55Å; L26-F162 HydrophobicContact CD2-CD2 3.77Å; L26-F162 HydrophobicContact CD2-CE1 3.54Å; L26-F162 HydrophobicContact CD2-CE2 3.76Å; L26-F162 HydrophobicContact CD2-CG 3.65Å; L26-F162 HydrophobicContact CD2-CZ 3.65Å; L26-F162 HydrophobicContact CG-CD2 4.42Å; I48-F162 WeakPolarHBondContact CD1-O 3.5Å; F59-F162 AromaticContact CD2-CD1 3.98Å; F59-F162 HydrophobicContact CD2-CD1 3.98Å; F59-F162 HydrophobicContact CE2-CB 4.02Å; F59-F162 HydrophobicContact CE2-CD1 4.1Å; F59-F162 WeakPolarHBondContact CE2-O 3.28Å; I61-F162 HydrophobicContact CD1-CE1 4.11Å; V158-F162 VanDerWaalsContact O-CD2 3.24Å; V158-F162 WeakPolarHBondContact O-CD2 3.35Å; S159-F162 PolarHBondContact O-N 3.21Å; E160-F162 PolarHBondContact O-N 3.06Å; F162-G166 PolarHBondContact O-N 3.06Å
163T95.5Very high87.4Confident48 Ų4857.2 Ų57.229%0.29430%0.301SS..Hα-helixtrans-64.6-44.9171-58.90000110.9L50 S159 E160 L161 I165 G166 N167L50-T163 HydrophobicContact CD2-CG2 3.84Å; S159-T163 WeakPolarHBondContact O-CB 3.41Å; S159-T163 PolarHBondContact O-N 3.49Å; S159-T163 PolarHBondContact O-OG1 3.43Å; E160-T163 PolarHBondContact O-N 3.44Å; L161-T163 VanDerWaalsContact C-N 3.34Å; T163-I165 PolarHBondContact O-N 2.99Å; T163-G166 PolarHBondContact O-N 3.49Å; T163-N167 PolarHBondContact O-N 3.13Å; T163-N167 PolarHBondContact O-ND2 2.99Å
164A94.9Very high86.8Confident31 Ų3156.2 Ų56.226%0.25630%0.299SS..Hα-helixtrans-61-44.6176.400000111.8L146 M148 E160 L161 G166 N167 F168L146-A164 HydrophobicContact CD1-CB 4.42Å; M148-A164 HydrophobicContact CE-CB 4.48Å; E160-A164 WeakPolarHBondContact O-CB 3.48Å; E160-A164 PolarHBondContact O-N 3.08Å; L161-A164 PolarHBondContact O-N 3.02Å; A164-G166 PolarHBondContact O-N 3.26Å; A164-N167 PolarHBondContact O-N 3.01Å; A164-F168 PolarHBondContact O-N 3.35Å
165I94.6Very high86.1Confident1 Ų153.6 Ų53.61%0.00529%0.287CS..Hα-helixtrans-60.2-46174.3-66.3164.4000110.9L9 F59 A83 V85 A117 L146 L161 T163 N167 F168 H169L9-I165 HydrophobicContact CD1-CD1 4.23Å; L9-I165 HydrophobicContact CD1-CG2 4.32Å; F59-I165 HydrophobicContact CE1-CG2 3.92Å; F59-I165 HydrophobicContact CZ-CB 4.29Å; F59-I165 HydrophobicContact CZ-CG2 3.92Å; A83-I165 HydrophobicContact CB-CG2 3.61Å; V85-I165 HydrophobicContact CG2-CD1 3.5Å; A117-I165 HydrophobicContact CB-CD1 3.87Å; A117-I165 HydrophobicContact CB-CG1 4Å; L146-I165 HydrophobicContact CD1-CG1 4.05Å; L161-I165 HydrophobicContact CD1-CD1 4.18Å; L161-I165 HydrophobicContact CG-CD1 4.22Å; L161-I165 WeakPolarHBondContact O-CG1 3.27Å; L161-I165 PolarHBondContact O-N 3.21Å; T163-I165 PolarHBondContact O-N 2.99Å; I165-N167 VanDerWaalsContact C-N 3.3Å; I165-N167 PolarHBondContact O-N 3.3Å; I165-F168 PolarHBondContact O-N 3.16Å; I165-H169 PolarHBondContact O-N 2.75Å; I165-H169 VanDerWaalsContact O-N 3.1Å
166G92.7Very high85.4Confident2 Ų253.9 Ų53.92%0.02128%0.283CS..Hα-helixtrans-62.2-35.8179.600000113.4L50 F162 T163 A164L50-G166 WeakPolarHBondContact CD1-O 3.42Å; F162-G166 PolarHBondContact O-N 3.06Å; T163-G166 PolarHBondContact O-N 3.49Å; A164-G166 PolarHBondContact O-N 3.26Å
167N90.6Very high84.6Confident62 Ų6254.3 Ų54.333%0.33228%0.283SS..Hα-helixtrans-71.5-42.7175.1-75.1-26.7000112.1T163 A164 I165 H169 R170T163-N167 PolarHBondContact O-N 3.13Å; T163-N167 PolarHBondContact O-ND2 2.99Å; A164-N167 PolarHBondContact O-N 3.01Å; I165-N167 VanDerWaalsContact C-N 3.3Å; I165-N167 PolarHBondContact O-N 3.3Å; N167-H169 VanDerWaalsContact C-N 3.3Å; N167-H169 PolarHBondContact O-N 3.06Å; N167-R170 PolarHBondContact O-N 3.31Å
168F82.5Confident83.6Confident99 Ų9953.9 Ų53.943%0.43428%0.281SS..Hα-helixtrans-64.3-37.7-179.3-165-75.4000111.9V115 L146 A164 I165 R170 F171V115-F168 HydrophobicContact CB-CD1 4.08Å; V115-F168 HydrophobicContact CG1-CB 4.11Å; V115-F168 HydrophobicContact CG1-CD1 3.8Å; V115-F168 HydrophobicContact CG1-CE1 4.3Å; V115-F168 HydrophobicContact CG1-CG 3.91Å; V115-F168 HydrophobicContact CG2-CB 4.06Å; V115-F168 HydrophobicContact CG2-CD1 3.2Å; V115-F168 HydrophobicContact CG2-CE1 3.9Å; V115-F168 HydrophobicContact CG2-CG 3.94Å; L146-F168 HydrophobicContact CD1-CB 4.13Å; L146-F168 HydrophobicContact CD1-CD2 4.43Å; L146-F168 HydrophobicContact CD1-CG 4.45Å; L146-F168 HydrophobicContact CD2-CD2 3.93Å; L146-F168 HydrophobicContact CD2-CE2 4.42Å; L146-F168 HydrophobicContact CG-CD2 4.32Å; A164-F168 PolarHBondContact O-N 3.35Å; I165-F168 PolarHBondContact O-N 3.16Å; F168-R170 PolarHBondContact O-N 2.82Å; F168-F171 PolarHBondContact O-N 2.81Å
169H65.5Low82.5Confident19 Ų1957.6 Ų57.69%0.08830%0.3CS..G310 helixtrans-65.2-12.5-176-146-34.6000114.6H7 Q82 V115 I165 N167 F171H7-H169 AromaticContact CE1-CD2 3.86Å; H7-H169 AromaticContact CE1-CE1 3.9Å; H7-H169 AromaticContact CE1-CG 3.71Å; H7-H169 AromaticContact CE1-ND1 3.74Å; H7-H169 AromaticContact CE1-NE2 3.91Å; H7-H169 AromaticContact CG-CD2 3.87Å; H7-H169 AromaticContact ND1-CD2 3.2Å; H7-H169 PolarHBondContact ND1-CD2 2.84Å; H7-H169 AromaticContact ND1-CE1 3.48Å; H7-H169 PolarHBondContact ND1-CE1 2.77Å; H7-H169 AromaticContact ND1-CG 3.53Å; H7-H169 AromaticContact ND1-ND1 3.69Å; H7-H169 AromaticContact ND1-NE2 3.1Å; H7-H169 PolarHBondContact ND1-NE2 3.4Å; H7-H169 VanDerWaalsContact ND1-NE2 3.1Å; Q82-H169 WeakPolarHBondContact CB-NE2 3.47Å; Q82-H169 PolarHBondContact O-NE2 3.04Å; Q82-H169 VanDerWaalsContact O-NE2 3.13Å; V115-H169 HydrophobicContact CG2-CB 4.48Å; I165-H169 PolarHBondContact O-N 2.75Å; I165-H169 VanDerWaalsContact O-N 3.1Å; N167-H169 VanDerWaalsContact C-N 3.3Å; N167-H169 PolarHBondContact O-N 3.06Å; H169-F171 VanDerWaalsContact C-N 3.29Å; H169-F171 PolarHBondContact O-N 3.05Å
170R61.3Low81.4Confident71 Ų7156.8 Ų56.827%0.26829%0.286SS..G310 helixtrans-77.2-9.5176.7-76.6-169.8136.567.915.7114.7N167 F168N167-R170 PolarHBondContact O-N 3.31Å; F168-R170 PolarHBondContact O-N 2.82Å
171F46.9Very low80Confident182 Ų18253.8 Ų53.880%0.79827%0.274SS*.G310 helixtrans-102.18.3-178.2-62-75.6000114.3F168 H169F168-F171 PolarHBondContact O-N 2.81Å; H169-F171 VanDerWaalsContact C-N 3.29Å; H169-F171 PolarHBondContact O-N 3.05Å
172V40.8Very low78.4Confident128 Ų12858.5 Ų58.578%0.77630%0.297SS*.  trans-114.60177-1610000110.9

Retrieved 172 of 172 residues in 141 ms (Link to these results)

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