G4VPW8_SCHMA Loading...

DNA-directed RNA polymerases I, II, and III subunit RPABC1

AlphaFold DB , UniProt , Accession G4VPW8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 205 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
1M47.5Very low82Confident224 Ų22478.3 Ų78.3100%1.10339%0.385SS*.  0-19.80-83.7177.3-176.800111.3
2D61.3Low83Confident102 Ų10271.8 Ų71.855%0.54535%0.353SS..THydrogen-bonded Turntrans-77.2-26.3-172.6-54.3-35.2000115.2S4 E5 T6D2-S4 PolarHBondContact O-N 2.94Å; D2-S4 VanDerWaalsContact O-N 3.1Å; D2-E5 PolarHBondContact O-N 3.21Å; D2-T6 PolarHBondContact O-N 3.01Å; D2-T6 VanDerWaalsContact O-N 3.12Å; D2-T6 PolarHBondContact O-OG1 3.29Å
3D68.8Low83.9Confident106 Ų10669.1 Ų69.157%0.56734%0.336SS*.Hα-helixtrans-57.5-30.9179.4-74.9-45.9000113.6Y7 K40D3-Y7 VanDerWaalsContact O-CB 3.27Å; D3-Y7 WeakPolarHBondContact O-CB 3.38Å; D3-Y7 PolarHBondContact O-N 2.64Å; D3-K40 IonicContact OD1-NZ 3.92Å; D3-K40 PolarHBondContact OD1-NZ 3.37Å
4S84Confident84.6Confident90 Ų9067.8 Ų67.863%0.62933%0.328SS*.Hα-helixtrans-70.7-37.7178.9-172.20000112.2D2 K8D2-S4 PolarHBondContact O-N 2.94Å; D2-S4 VanDerWaalsContact O-N 3.1Å; S4-K8 WeakPolarHBondContact O-CB 3.32Å; S4-K8 PolarHBondContact O-N 3.42Å
5E87.3Confident85.3Confident80 Ų8064.1 Ų64.137%0.37431%0.311SS..Hα-helixtrans-74-44-179.8-169.173.8179.200110D2 Y7 K8 L9 R49D2-E5 PolarHBondContact O-N 3.21Å; E5-Y7 VanDerWaalsContact C-N 3.31Å; E5-Y7 PolarHBondContact O-N 3.02Å; E5-K8 WeakPolarHBondContact O-CB 3.23Å; E5-K8 PolarHBondContact O-N 3.39Å; E5-K8 VanDerWaalsContact O-N 3.12Å; E5-L9 HydrophobicContact CG-CD1 4.22Å; E5-L9 WeakPolarHBondContact O-CG 3.12Å; E5-L9 PolarHBondContact O-N 3Å; E5-R49 IonicContact OE1-CZ 2.74Å; E5-R49 IonicContact OE1-NH2 3.54Å; E5-R49 PolarHBondContact OE1-NH2 3.25Å; E5-R49 VanDerWaalsContact OE1-NH2 3.13Å
6T89.8Confident86Confident0 Ų060.1 Ų60.10%029%0.292CS..Hα-helixtrans-59.9-42.5175.7-56.10000111.2D2 W10 F39 K40 D45 P47D2-T6 PolarHBondContact O-N 3.01Å; D2-T6 VanDerWaalsContact O-N 3.12Å; D2-T6 PolarHBondContact O-OG1 3.29Å; T6-W10 WeakPolarHBondContact O-CB 3.39Å; T6-W10 PolarHBondContact O-N 3.16Å; T6-F39 HydrophobicContact CG2-CD1 4.32Å; T6-F39 HydrophobicContact CG2-CE1 4.18Å; T6-K40 HydrophobicContact CG2-CD 4.4Å; T6-K40 HydrophobicContact CG2-CG 3.76Å; T6-D45 PolarHBondContact OG1-OD1 3.16Å; T6-P47 HydrophobicContact CG2-CG 4.23Å; T6-P47 WeakPolarHBondContact OG1-CD 3.35Å
7Y91.7Very high86.5Confident96 Ų9656.8 Ų56.838%0.37628%0.276SS..Hα-helixtrans-62.7-43173.8-178.1-95.5000112.5D3 E5 W10 R11 L36D3-Y7 VanDerWaalsContact O-CB 3.27Å; D3-Y7 WeakPolarHBondContact O-CB 3.38Å; D3-Y7 PolarHBondContact O-N 2.64Å; E5-Y7 VanDerWaalsContact C-N 3.31Å; E5-Y7 PolarHBondContact O-N 3.02Å; Y7-W10 AromaticContact CD2-CE3 3.95Å; Y7-W10 HydrophobicContact CD2-CE3 3.95Å; Y7-W10 HydrophobicContact CD2-CZ3 4.15Å; Y7-W10 AromaticContact CE2-CE3 3.87Å; Y7-W10 HydrophobicContact CE2-CE3 3.87Å; Y7-W10 AromaticContact CE2-CZ3 3.61Å; Y7-W10 HydrophobicContact CE2-CZ3 3.61Å; Y7-W10 PolarHBondContact O-N 2.98Å; Y7-R11 HydrophobicContact CD1-CG 4.05Å; Y7-R11 HydrophobicContact CE1-CG 3.6Å; Y7-R11 HydrophobicContact CE2-CG 4.33Å; Y7-R11 WeakPolarHBondContact O-CG 3.26Å; Y7-R11 PolarHBondContact O-N 3.26Å; Y7-L36 HydrophobicContact CD2-CD1 4.49Å; Y7-L36 HydrophobicContact CD2-CD2 4.03Å
8K92.1Very high87Confident31 Ų3157 Ų5714%0.13528%0.275CS..Hα-helixtrans-57.6-51.5177.5-167.3-164.4-174.8-171.20110.9S4 E5 W10 R11 I12 E127 N128 M131S4-K8 WeakPolarHBondContact O-CB 3.32Å; S4-K8 PolarHBondContact O-N 3.42Å; E5-K8 WeakPolarHBondContact O-CB 3.23Å; E5-K8 PolarHBondContact O-N 3.39Å; E5-K8 VanDerWaalsContact O-N 3.12Å; K8-W10 PolarHBondContact O-N 3.19Å; K8-R11 PolarHBondContact O-N 3.41Å; K8-I12 HydrophobicContact CD-CD1 4.45Å; K8-I12 HydrophobicContact CG-CD1 3.98Å; K8-I12 VanDerWaalsContact O-CG1 3.29Å; K8-I12 WeakPolarHBondContact O-CG1 3.4Å; K8-I12 PolarHBondContact O-N 2.99Å; K8-E127 WeakPolarHBondContact CE-OE2 3.46Å; K8-E127 IonicContact NZ-OE2 2.76Å; K8-E127 PolarHBondContact NZ-OE2 3.28Å; K8-N128 PolarHBondContact NZ-OD1 3.35Å; K8-M131 HydrophobicContact CB-CE 4.32Å; K8-M131 HydrophobicContact CB-SD 4.08Å; K8-M131 HydrophobicContact CG-CE 3.86Å; K8-M131 HydrophobicContact CG-CG 4.25Å; K8-M131 HydrophobicContact CG-SD 3.28Å; K8-M131 WeakPolarHBondContact CG-SD 3.42Å
9L92.8Very high87.5Confident3 Ų354.1 Ų54.12%0.01626%0.261CS..Hα-helixtrans-65.1-39.6-178.9-66.9169.3000112.1E5 I12 R13 P47 L52E5-L9 HydrophobicContact CG-CD1 4.22Å; E5-L9 WeakPolarHBondContact O-CG 3.12Å; E5-L9 PolarHBondContact O-N 3Å; L9-I12 PolarHBondContact O-N 3.1Å; L9-R13 WeakPolarHBondContact O-CB 3.43Å; L9-R13 PolarHBondContact O-N 3.04Å; L9-P47 HydrophobicContact CD1-CG 3.72Å; L9-L52 HydrophobicContact CB-CD1 4.02Å; L9-L52 HydrophobicContact CD1-CD1 4.06Å; L9-L52 HydrophobicContact CD2-CD1 3.82Å; L9-L52 HydrophobicContact CG-CD1 4.17Å
10W93.1Very high87.9Confident32 Ų3251.4 Ų51.412%0.12125%0.248CC..Hα-helixtrans-59.8-46.2173172.170.9000112.1T6 Y7 K8 R13 K14 Q34 L36 F39T6-W10 WeakPolarHBondContact O-CB 3.39Å; T6-W10 PolarHBondContact O-N 3.16Å; Y7-W10 AromaticContact CD2-CE3 3.95Å; Y7-W10 HydrophobicContact CD2-CE3 3.95Å; Y7-W10 HydrophobicContact CD2-CZ3 4.15Å; Y7-W10 AromaticContact CE2-CE3 3.87Å; Y7-W10 HydrophobicContact CE2-CE3 3.87Å; Y7-W10 AromaticContact CE2-CZ3 3.61Å; Y7-W10 HydrophobicContact CE2-CZ3 3.61Å; Y7-W10 PolarHBondContact O-N 2.98Å; K8-W10 PolarHBondContact O-N 3.19Å; W10-R13 PolarHBondContact O-N 2.84Å; W10-K14 HydrophobicContact CZ2-CD 4.31Å; W10-K14 PolarHBondContact O-N 2.9Å; W10-Q34 PolarHBondContact NE1-O 3.31Å; W10-Q34 VanDerWaalsContact NE1-O 3.07Å; W10-L36 HydrophobicContact CB-CD1 3.75Å; W10-L36 HydrophobicContact CD2-CB 4.31Å; W10-L36 HydrophobicContact CD2-CD1 3.95Å; W10-L36 HydrophobicContact CE3-CD1 4.13Å; W10-L36 HydrophobicContact CG-CD1 3.77Å; W10-F39 HydrophobicContact CB-CD1 3.67Å; W10-F39 HydrophobicContact CB-CE1 3.78Å; W10-F39 HydrophobicContact CB-CG 4.15Å; W10-F39 HydrophobicContact CB-CZ 4.37Å; W10-F39 AromaticContact CD1-CG 3.62Å; W10-F39 HydrophobicContact CG-CB 4.4Å; W10-F39 HydrophobicContact CG-CD1 4.17Å; W10-F39 HydrophobicContact CG-CG 4.23Å
11R93.4Very high88.2Confident97 Ų9754.7 Ų54.737%0.36626%0.261SS..Hα-helixtrans-62.1-46.7177.6-72.2-73.6-87.1-175.4-9.4111.7Y7 K8 R13 K14 T15 M131Y7-R11 HydrophobicContact CD1-CG 4.05Å; Y7-R11 HydrophobicContact CE1-CG 3.6Å; Y7-R11 HydrophobicContact CE2-CG 4.33Å; Y7-R11 WeakPolarHBondContact O-CG 3.26Å; Y7-R11 PolarHBondContact O-N 3.26Å; K8-R11 PolarHBondContact O-N 3.41Å; R11-R13 PolarHBondContact O-N 3.41Å; R11-K14 PolarHBondContact O-N 3.26Å; R11-T15 PolarHBondContact O-N 2.85Å; R11-T15 PolarHBondContact O-OG1 3.4Å; R11-M131 HydrophobicContact CB-CE 4.45Å; R11-M131 HydrophobicContact CB-SD 4.14Å
12I94.7Very high90.4Very high0 Ų047.5 Ų47.50%023%0.227CC..Hα-helixtrans-58.9-47.9177.5-69.4164.5000110.5K8 L9 K14 T15 I16 F70 V99 E127 L130 M131K8-I12 HydrophobicContact CD-CD1 4.45Å; K8-I12 HydrophobicContact CG-CD1 3.98Å; K8-I12 VanDerWaalsContact O-CG1 3.29Å; K8-I12 WeakPolarHBondContact O-CG1 3.4Å; K8-I12 PolarHBondContact O-N 2.99Å; L9-I12 PolarHBondContact O-N 3.1Å; I12-K14 VanDerWaalsContact C-N 3.31Å; I12-K14 PolarHBondContact O-N 3.36Å; I12-T15 PolarHBondContact O-N 3.34Å; I12-I16 HydrophobicContact CG2-CD1 3.76Å; I12-I16 HydrophobicContact CG2-CG1 4.42Å; I12-I16 WeakPolarHBondContact O-CG1 3.47Å; I12-I16 PolarHBondContact O-N 2.94Å; I12-F70 HydrophobicContact CG2-CE1 3.92Å; I12-F70 HydrophobicContact CG2-CZ 4.49Å; I12-V99 HydrophobicContact CG2-CG1 4.03Å; I12-E127 HydrophobicContact CD1-CB 3.61Å; I12-E127 HydrophobicContact CD1-CG 3.85Å; I12-L130 HydrophobicContact CB-CB 4.39Å; I12-L130 HydrophobicContact CG1-CB 4.14Å; I12-L130 HydrophobicContact CG2-CB 3.89Å; I12-L130 HydrophobicContact CG2-CD1 3.95Å; I12-M131 HydrophobicContact CD1-CG 4.49Å; I12-M131 HydrophobicContact CD1-SD 4.1Å; I12-M131 HydrophobicContact CG1-CG 4.29Å; I12-M131 HydrophobicContact CG1-SD 3.83Å
13R93.9Very high91.9Very high37 Ų3743.9 Ų43.914%0.1421%0.206CC..Hα-helixtrans-56.3-45.9176.9-175.6178.4177.9111.4-1111.2L9 W10 R11 T15 I16 L17 M54L9-R13 WeakPolarHBondContact O-CB 3.43Å; L9-R13 PolarHBondContact O-N 3.04Å; W10-R13 PolarHBondContact O-N 2.84Å; R11-R13 PolarHBondContact O-N 3.41Å; R13-T15 PolarHBondContact O-N 3.04Å; R13-I16 PolarHBondContact O-N 3.28Å; R13-L17 HydrophobicContact CG-CD1 4.07Å; R13-L17 HydrophobicContact CG-CG 4.42Å; R13-L17 VanDerWaalsContact O-CG 3.31Å; R13-L17 WeakPolarHBondContact O-CG 3.39Å; R13-L17 PolarHBondContact O-N 3.34Å; R13-M54 HydrophobicContact CG-SD 3.81Å
14K93.8Very high93.1Very high51 Ų5139.9 Ų39.922%0.22219%0.19CC..Hα-helixtrans-61.8-41.8177.6-169.4165.9-176.3146.30112.6W10 R11 I12 K18 L32W10-K14 HydrophobicContact CZ2-CD 4.31Å; W10-K14 PolarHBondContact O-N 2.9Å; R11-K14 PolarHBondContact O-N 3.26Å; I12-K14 VanDerWaalsContact C-N 3.31Å; I12-K14 PolarHBondContact O-N 3.36Å; K14-K18 WeakPolarHBondContact O-CG 3.29Å; K14-K18 PolarHBondContact O-N 3.43Å; K14-K18 VanDerWaalsContact O-N 3.08Å; K14-L32 WeakPolarHBondContact CE-O 3.43Å; K14-L32 PolarHBondContact NZ-O 2.86Å; K14-L32 VanDerWaalsContact NZ-O 3.12Å
15T95.7Very high93.6Very high12 Ų1235.8 Ų35.87%0.07416%0.161CC..Hα-helixtrans-62.7-42.8175.2-59.60000111.7R11 I12 R13 K18 M19 L130 N133R11-T15 PolarHBondContact O-N 2.85Å; R11-T15 PolarHBondContact O-OG1 3.4Å; I12-T15 PolarHBondContact O-N 3.34Å; R13-T15 PolarHBondContact O-N 3.04Å; T15-K18 PolarHBondContact O-N 2.93Å; T15-M19 WeakPolarHBondContact O-CB 3.31Å; T15-M19 PolarHBondContact O-N 2.85Å; T15-L130 WeakPolarHBondContact CB-O 3.36Å; T15-L130 HydrophobicContact CG2-CD2 4.31Å; T15-L130 WeakPolarHBondContact CG2-O 3.18Å; T15-L130 PolarHBondContact OG1-O 2.78Å; T15-N133 HydrophobicContact CG2-CB 4.01Å
16I96Very high93.9Very high1 Ų136.1 Ų36.11%0.00516%0.164CC..Hα-helixtrans-68.3-43.1179-63.1165000111.1I12 R13 K18 M19 C20 M54 V68 F70 V99 L130I12-I16 HydrophobicContact CG2-CD1 3.76Å; I12-I16 HydrophobicContact CG2-CG1 4.42Å; I12-I16 WeakPolarHBondContact O-CG1 3.47Å; I12-I16 PolarHBondContact O-N 2.94Å; R13-I16 PolarHBondContact O-N 3.28Å; I16-K18 VanDerWaalsContact C-N 3.27Å; I16-K18 PolarHBondContact O-N 3.41Å; I16-M19 CarbonylContact O-C 3.41Å; I16-M19 WeakPolarHBondContact O-CA 3.15Å; I16-M19 WeakPolarHBondContact O-CB 3.37Å; I16-M19 PolarHBondContact O-N 3.11Å; I16-C20 PolarHBondContact O-N 2.99Å; I16-C20 PolarHBondContact O-SG 2.95Å; I16-M54 HydrophobicContact CB-CE 3.88Å; I16-M54 HydrophobicContact CD1-CE 4.21Å; I16-M54 HydrophobicContact CG2-CE 3.41Å; I16-M54 VanDerWaalsContact CG2-CE 3.41Å; I16-V68 HydrophobicContact CD1-CG1 4.01Å; I16-V68 HydrophobicContact CG2-CG1 4.06Å; I16-V68 HydrophobicContact CG2-CG2 3.98Å; I16-F70 HydrophobicContact CD1-CE1 4.18Å; I16-F70 HydrophobicContact CD1-CE2 4.48Å; I16-F70 HydrophobicContact CD1-CZ 3.63Å; I16-V99 HydrophobicContact CD1-CG2 3.49Å; I16-V99 VanDerWaalsContact CD1-CG2 3.49Å; I16-L130 HydrophobicContact CD1-CD1 3.85Å; I16-L130 HydrophobicContact CG1-CD1 3.86Å; I16-L130 HydrophobicContact CG1-CD2 4.43Å
17L95.4Very high94Very high4 Ų437 Ų372%0.02117%0.17CC..Hα-helixtrans-58.9-40.9176.3-71.9171.4000111.4R13 C20 K21 V27 E31 L32 M54R13-L17 HydrophobicContact CG-CD1 4.07Å; R13-L17 HydrophobicContact CG-CG 4.42Å; R13-L17 VanDerWaalsContact O-CG 3.31Å; R13-L17 WeakPolarHBondContact O-CG 3.39Å; R13-L17 PolarHBondContact O-N 3.34Å; L17-C20 PolarHBondContact O-N 3.37Å; L17-K21 PolarHBondContact O-N 3.13Å; L17-V27 HydrophobicContact CB-CG1 4.14Å; L17-V27 HydrophobicContact CD2-CG1 3.92Å; L17-E31 HydrophobicContact CD1-CB 4.06Å; L17-L32 HydrophobicContact CB-CD2 3.77Å; L17-M54 HydrophobicContact CD2-SD 3.79Å; L17-M54 HydrophobicContact CG-SD 4.06Å
18K95Very high94.1Very high60 Ų6038.2 Ų38.226%0.26118%0.18SC..Hα-helixtrans-62.8-44.7171.4-73.9-179.1174.3-175.10112.2K14 T15 I16 C20 K21 D22 L32 E136K14-K18 WeakPolarHBondContact O-CG 3.29Å; K14-K18 PolarHBondContact O-N 3.43Å; K14-K18 VanDerWaalsContact O-N 3.08Å; T15-K18 PolarHBondContact O-N 2.93Å; I16-K18 VanDerWaalsContact C-N 3.27Å; I16-K18 PolarHBondContact O-N 3.41Å; K18-C20 PolarHBondContact O-N 2.95Å; K18-K21 WeakPolarHBondContact O-CB 3.44Å; K18-K21 PolarHBondContact O-N 3.43Å; K18-D22 WeakPolarHBondContact O-CB 3.11Å; K18-D22 PolarHBondContact O-N 2.81Å; K18-L32 HydrophobicContact CG-CD2 3.91Å; K18-E136 WeakPolarHBondContact CD-OE1 3.31Å; K18-E136 WeakPolarHBondContact CE-OE1 3.24Å; K18-E136 IonicContact NZ-OE1 3.89Å; K18-E136 PolarHBondContact NZ-OE1 3.47Å; K18-E136 IonicContact NZ-OE2 2.69Å; K18-E136 PolarHBondContact NZ-OE2 2.84Å
19M95.9Very high94Very high1 Ų140.9 Ų40.91%0.00520%0.201CC..Hα-helixtrans-59.3-44.1176.1-175.8-166.4-64.200112.1T15 I16 D22 R23 I97 F125 L130 Y177T15-M19 WeakPolarHBondContact O-CB 3.31Å; T15-M19 PolarHBondContact O-N 2.85Å; I16-M19 CarbonylContact O-C 3.41Å; I16-M19 WeakPolarHBondContact O-CA 3.15Å; I16-M19 WeakPolarHBondContact O-CB 3.37Å; I16-M19 PolarHBondContact O-N 3.11Å; M19-D22 PolarHBondContact O-N 3.33Å; M19-R23 WeakPolarHBondContact O-CB 3.49Å; M19-R23 VanDerWaalsContact O-CG 3.28Å; M19-R23 WeakPolarHBondContact O-CG 3.5Å; M19-R23 PolarHBondContact O-N 3.49Å; M19-I97 HydrophobicContact SD-CD1 4.26Å; M19-F125 HydrophobicContact CE-CE1 4.15Å; M19-F125 HydrophobicContact CE-CE2 4.44Å; M19-F125 HydrophobicContact CE-CZ 4.03Å; M19-F125 HydrophobicContact SD-CE2 4.27Å; M19-F125 HydrophobicContact SD-CZ 4.14Å; M19-L130 HydrophobicContact CE-CD2 3.67Å; M19-Y177 WeakPolarHBondContact CA-OH 3.49Å; M19-Y177 HydrophobicContact CB-CD2 4.43Å; M19-Y177 HydrophobicContact CB-CE1 4.37Å; M19-Y177 HydrophobicContact CB-CE2 3.79Å; M19-Y177 HydrophobicContact CE-CD2 3.66Å; M19-Y177 HydrophobicContact CE-CE2 3.94Å; M19-Y177 HydrophobicContact CE-CG 4.4Å; M19-Y177 HydrophobicContact CG-CD1 4.32Å; M19-Y177 HydrophobicContact CG-CD2 4.07Å; M19-Y177 HydrophobicContact CG-CE1 4.17Å; M19-Y177 HydrophobicContact CG-CE2 3.91Å; M19-Y177 HydrophobicContact CG-CG 4.27Å; M19-Y177 VanDerWaalsContact CG-O 3.24Å; M19-Y177 WeakPolarHBondContact CG-O 3.5Å; M19-Y177 PolarHBondContact N-OH 3.41Å
20C95.2Very high93.9Very high1 Ų149.3 Ų49.31%0.00724%0.237CC..Hα-helixtrans-60.7-46.3175.9-68.40000110.7I16 L17 K18 D22 R23 G24 Y25 V27 V56I16-C20 PolarHBondContact O-N 2.99Å; I16-C20 PolarHBondContact O-SG 2.95Å; L17-C20 PolarHBondContact O-N 3.37Å; K18-C20 PolarHBondContact O-N 2.95Å; C20-D22 PolarHBondContact O-N 3.18Å; C20-R23 PolarHBondContact O-N 2.99Å; C20-G24 PolarHBondContact O-N 3.3Å; C20-Y25 HydrophobicContact CB-CD2 4.5Å; C20-Y25 VanDerWaalsContact O-CB 3.32Å; C20-Y25 WeakPolarHBondContact O-CB 3.33Å; C20-Y25 WeakPolarHBondContact O-CD2 3.26Å; C20-Y25 PolarHBondContact O-N 3.44Å; C20-V27 HydrophobicContact CB-CG2 3.87Å; C20-V56 HydrophobicContact CB-CG2 4.15Å
21K94.5Very high93.7Very high120 Ų12051.6 Ų51.652%0.52225%0.249SC..Hα-helixtrans-58.3-48174.7-177.4-177.3179.9177.70112.1L17 K18 R23 G24 V27 L32L17-K21 PolarHBondContact O-N 3.13Å; K18-K21 WeakPolarHBondContact O-CB 3.44Å; K18-K21 PolarHBondContact O-N 3.43Å; K21-R23 PolarHBondContact O-N 2.76Å; K21-G24 PolarHBondContact O-N 3.13Å; K21-V27 HydrophobicContact CB-CB 4.42Å; K21-V27 HydrophobicContact CB-CG2 4.35Å; K21-L32 HydrophobicContact CD-CD1 3.75Å
22D93.8Very high93.5Very high73 Ų7348 Ų4839%0.3924%0.237SC..Hα-helixtrans-65.1-20.1-179.6-75.8-0.1000112.9K18 M19 C20 Y177 Y178K18-D22 WeakPolarHBondContact O-CB 3.11Å; K18-D22 PolarHBondContact O-N 2.81Å; M19-D22 PolarHBondContact O-N 3.33Å; C20-D22 PolarHBondContact O-N 3.18Å; D22-Y177 HydrophobicContact CB-CE1 3.97Å; D22-Y177 PolarHBondContact OD2-OH 3.34Å; D22-Y177 VanDerWaalsContact OD2-OH 3.13Å; D22-Y178 HydrophobicContact CB-CE1 4.06Å
23R94.1Very high93.4Very high27 Ų2755.4 Ų55.410%0.10227%0.272CS..THydrogen-bonded Turntrans-88.70.5173.2-72.9176.5-175.7-150.71.8114.1M19 C20 K21 Y25 E123 R176 Y177M19-R23 WeakPolarHBondContact O-CB 3.49Å; M19-R23 VanDerWaalsContact O-CG 3.28Å; M19-R23 WeakPolarHBondContact O-CG 3.5Å; M19-R23 PolarHBondContact O-N 3.49Å; C20-R23 PolarHBondContact O-N 2.99Å; K21-R23 PolarHBondContact O-N 2.76Å; R23-Y25 HydrophobicContact CB-CD2 3.72Å; R23-Y25 HydrophobicContact CB-CE2 3.85Å; R23-E123 IonicContact CZ-OE1 2.87Å; R23-E123 IonicContact CZ-OE2 3.39Å; R23-E123 VanDerWaalsContact NH1-CD 3.26Å; R23-E123 IonicContact NH1-OE1 3.67Å; R23-E123 PolarHBondContact NH1-OE1 2.89Å; R23-E123 IonicContact NH1-OE2 3.93Å; R23-E123 PolarHBondContact NH1-OE2 3.37Å; R23-E123 IonicContact NH2-OE2 2.62Å; R23-E123 PolarHBondContact NH2-OE2 3.43Å; R23-R176 PolarHBondContact NH2-O 3.35Å; R23-Y177 PolarHBondContact NE-O 3.42Å; R23-Y177 PolarHBondContact NH2-O 2.91Å
24G92.5Very high93.2Very high21 Ų2155 Ų5522%0.21627%0.272CS..THydrogen-bonded Turntrans87.716.5-178.700000114.9C20 K21 H58 E59C20-G24 PolarHBondContact O-N 3.3Å; K21-G24 PolarHBondContact O-N 3.13Å; G24-H58 PolarHBondContact O-CD2 2.86Å; G24-E59 WeakPolarHBondContact O-CB 3.35Å; G24-E59 PolarHBondContact O-N 3.22Å
25Y94.8Very high93.1Very high5 Ų554.7 Ų54.72%0.0228%0.275CS..BIsolated β-bridgetrans-86145.4172.4-65.6-87.9000111.7C20 R23 V27 V56 H58 D64 L66 R95C20-Y25 HydrophobicContact CB-CD2 4.5Å; C20-Y25 VanDerWaalsContact O-CB 3.32Å; C20-Y25 WeakPolarHBondContact O-CB 3.33Å; C20-Y25 WeakPolarHBondContact O-CD2 3.26Å; C20-Y25 PolarHBondContact O-N 3.44Å; R23-Y25 HydrophobicContact CB-CD2 3.72Å; R23-Y25 HydrophobicContact CB-CE2 3.85Å; Y25-V27 PolarHBondContact O-N 2.84Å; Y25-V56 HydrophobicContact CD1-CB 4.42Å; Y25-V56 HydrophobicContact CD1-CG2 3.75Å; Y25-V56 HydrophobicContact CE1-CG2 4.5Å; Y25-V56 HydrophobicContact CG-CG2 3.8Å; Y25-H58 HydrophobicContact CD1-CB 4.1Å; Y25-H58 HydrophobicContact CE1-CB 4.02Å; Y25-D64 PolarHBondContact OH-OD2 2.72Å; Y25-L66 HydrophobicContact CD1-CB 4.07Å; Y25-L66 HydrophobicContact CD2-CD2 4.05Å; Y25-L66 HydrophobicContact CE1-CB 3.48Å; Y25-L66 VanDerWaalsContact CE1-CB 3.48Å; Y25-L66 HydrophobicContact CE1-CD2 4.34Å; Y25-L66 HydrophobicContact CE2-CB 4.3Å; Y25-L66 HydrophobicContact CE2-CD2 3.65Å; Y25-R95 PolarHBondContact OH-NE 3.1Å; Y25-R95 PolarHBondContact OH-NH1 3.02Å
26L93.6Very high92.9Very high87 Ų8756.5 Ų56.546%0.45529%0.285SS..  trans-69.3112.9175.3-66.7172.2000109.8N57 E59L26-N57 WeakPolarHBondContact CB-O 3.45Å; L26-N57 PolarHBondContact N-O 3.1Å; L26-E59 HydrophobicContact CD2-CB 3.82Å; L26-E59 HydrophobicContact CD2-CG 3.82Å; L26-E59 HydrophobicContact CG-CB 4.06Å
27V93.3Very high92.6Very high19 Ų1964 Ų6412%0.11532%0.319CS..  trans-128.4129175.1-179.60000108.7L17 C20 K21 Y25 E31 L32 V56L17-V27 HydrophobicContact CB-CG1 4.14Å; L17-V27 HydrophobicContact CD2-CG1 3.92Å; C20-V27 HydrophobicContact CB-CG2 3.87Å; K21-V27 HydrophobicContact CB-CB 4.42Å; K21-V27 HydrophobicContact CB-CG2 4.35Å; Y25-V27 PolarHBondContact O-N 2.84Å; V27-E31 HydrophobicContact CG1-CB 4.48Å; V27-L32 HydrophobicContact CG1-CD1 4.23Å; V27-L32 HydrophobicContact CG1-CD2 3.95Å; V27-L32 HydrophobicContact CG1-CG 3.82Å; V27-V56 HydrophobicContact CG2-CG1 4.43Å
28M91.9Very high92.4Very high121 Ų12168 Ų6860%0.59634%0.341SS*.  trans-71.1135.7-176.9-64.7-65.4161.100110.2K30 E31 L32M28-K30 PolarHBondContact O-N 3.06Å; M28-K30 VanDerWaalsContact O-N 3.13Å; M28-E31 HydrophobicContact CB-CG 4.05Å; M28-E31 WeakPolarHBondContact O-CB 3.36Å; M28-E31 PolarHBondContact O-N 3.13Å; M28-L32 PolarHBondContact O-N 3.17Å
29P90.7Very high92.2Very high86 Ų8665.2 Ų65.256%0.55833%0.329SS*.Hα-helixtrans-54-36.7177.6-28.235.2000113.3E31 L32 E33P29-E31 VanDerWaalsContact C-N 3.25Å; P29-E31 PolarHBondContact O-N 2.74Å; P29-L32 PolarHBondContact O-N 3.49Å; P29-L32 VanDerWaalsContact O-N 3.15Å; P29-E33 PolarHBondContact O-N 3.4Å
30K90.6Very high91.9Very high181 Ų18167.5 Ų67.579%0.78734%0.339SS*.Hα-helixtrans-58.9-34.2176-171-179.4179-174.80113M28 Q34M28-K30 PolarHBondContact O-N 3.06Å; M28-K30 VanDerWaalsContact O-N 3.13Å; K30-Q34 PolarHBondContact O-N 2.99Å; K30-Q34 VanDerWaalsContact O-N 3.14Å
31E89.7Confident91.6Very high80 Ų8071.6 Ų71.637%0.37437%0.373SS..Hα-helixtrans-74.9-35178.5-64.6175.8163.300111.6L17 V27 M28 P29 E33 Q34L17-E31 HydrophobicContact CD1-CB 4.06Å; V27-E31 HydrophobicContact CG1-CB 4.48Å; M28-E31 HydrophobicContact CB-CG 4.05Å; M28-E31 WeakPolarHBondContact O-CB 3.36Å; M28-E31 PolarHBondContact O-N 3.13Å; P29-E31 VanDerWaalsContact C-N 3.25Å; P29-E31 PolarHBondContact O-N 2.74Å; E31-E33 VanDerWaalsContact C-N 3.32Å; E31-Q34 WeakPolarHBondContact O-CB 3.44Å
32L89.7Confident91.2Very high20 Ų2070.8 Ų70.811%0.10538%0.378CS..Hα-helixtrans-69-34176.5-66.2166.1000112.1K14 L17 K18 K21 V27 M28 P29K14-L32 WeakPolarHBondContact CE-O 3.43Å; K14-L32 PolarHBondContact NZ-O 2.86Å; K14-L32 VanDerWaalsContact NZ-O 3.12Å; L17-L32 HydrophobicContact CB-CD2 3.77Å; K18-L32 HydrophobicContact CG-CD2 3.91Å; K21-L32 HydrophobicContact CD-CD1 3.75Å; V27-L32 HydrophobicContact CG1-CD1 4.23Å; V27-L32 HydrophobicContact CG1-CD2 3.95Å; V27-L32 HydrophobicContact CG1-CG 3.82Å; M28-L32 PolarHBondContact O-N 3.17Å; P29-L32 PolarHBondContact O-N 3.49Å; P29-L32 VanDerWaalsContact O-N 3.15Å
33E90.6Very high90.8Very high156 Ų15668.2 Ų68.273%0.72937%0.365SS*.SBendtrans-92.9-0.7-178-66.9178.2-178.200113.3P29 E31 S35P29-E33 PolarHBondContact O-N 3.4Å; E31-E33 VanDerWaalsContact C-N 3.32Å; E33-S35 PolarHBondContact O-N 3.38Å
34Q90.5Very high90.2Very high30 Ų3068.3 Ų68.314%0.1438%0.375CS..  trans-51.5123.9-178.7-170.3179.830.900111.7W10 K30 E31 D38 F39 T42W10-Q34 PolarHBondContact NE1-O 3.31Å; W10-Q34 VanDerWaalsContact NE1-O 3.07Å; K30-Q34 PolarHBondContact O-N 2.99Å; K30-Q34 VanDerWaalsContact O-N 3.14Å; E31-Q34 WeakPolarHBondContact O-CB 3.44Å; Q34-D38 HydrophobicContact CG-CB 3.81Å; Q34-F39 HydrophobicContact CG-CB 4.36Å; Q34-T42 PolarHBondContact NE2-OG1 3.45Å
35S92.5Very high89.7Confident43 Ų4371 Ų7130%0.30138%0.384SS..  trans-72.8162.9176760000111.2E33 E37 D38 F39E33-S35 PolarHBondContact O-N 3.38Å; S35-E37 VanDerWaalsContact C-N 3.25Å; S35-E37 PolarHBondContact O-N 3.46Å; S35-D38 WeakPolarHBondContact CB-OD2 3.36Å; S35-D38 PolarHBondContact N-OD2 3.47Å; S35-D38 PolarHBondContact O-N 2.98Å; S35-D38 WeakPolarHBondContact OG-CB 3.34Å; S35-D38 PolarHBondContact OG-N 3.1Å; S35-D38 VanDerWaalsContact OG-N 3.11Å; S35-D38 PolarHBondContact OG-OD2 3.09Å; S35-F39 WeakPolarHBondContact O-CB 3.32Å; S35-F39 PolarHBondContact O-N 3.34Å
36L90.8Very high88.9Confident51 Ų5175 Ų7527%0.26741%0.411SS..Hα-helixtrans-62.3-36.6175.3-179.365.3000111.5Y7 W10 F39 K40Y7-L36 HydrophobicContact CD2-CD1 4.49Å; Y7-L36 HydrophobicContact CD2-CD2 4.03Å; W10-L36 HydrophobicContact CB-CD1 3.75Å; W10-L36 HydrophobicContact CD2-CB 4.31Å; W10-L36 HydrophobicContact CD2-CD1 3.95Å; W10-L36 HydrophobicContact CE3-CD1 4.13Å; W10-L36 HydrophobicContact CG-CD1 3.77Å; L36-F39 WeakPolarHBondContact O-CB 3.27Å; L36-F39 PolarHBondContact O-N 3.1Å; L36-K40 WeakPolarHBondContact O-CG 3.2Å; L36-K40 PolarHBondContact O-N 2.74Å
37E90.4Very high88.4Confident158 Ų15871.7 Ų71.774%0.73839%0.394SS*.Hα-helixtrans-66.6-45.3179.1-63.8-179.9178.700111.1S35 F39 K40 A41S35-E37 VanDerWaalsContact C-N 3.25Å; S35-E37 PolarHBondContact O-N 3.46Å; E37-F39 VanDerWaalsContact C-N 3.27Å; E37-F39 PolarHBondContact O-N 3.05Å; E37-K40 PolarHBondContact O-N 3.12Å; E37-A41 WeakPolarHBondContact O-CB 3.28Å; E37-A41 PolarHBondContact O-N 2.94Å
38D91.2Very high88.1Confident89 Ų8973.8 Ų73.848%0.47641%0.407SS..Hα-helixtrans-62.6-36.9175.2-63.4-43.4000111.7Q34 S35 A41 T42Q34-D38 HydrophobicContact CG-CB 3.81Å; S35-D38 WeakPolarHBondContact CB-OD2 3.36Å; S35-D38 PolarHBondContact N-OD2 3.47Å; S35-D38 PolarHBondContact O-N 2.98Å; S35-D38 WeakPolarHBondContact OG-CB 3.34Å; S35-D38 PolarHBondContact OG-N 3.1Å; S35-D38 VanDerWaalsContact OG-N 3.11Å; S35-D38 PolarHBondContact OG-OD2 3.09Å; D38-A41 PolarHBondContact O-N 3.05Å; D38-T42 WeakPolarHBondContact O-CB 3.33Å; D38-T42 PolarHBondContact O-N 3.34Å; D38-T42 PolarHBondContact O-OG1 2.91Å
39F90.5Very high87.8Confident0 Ų069.7 Ų69.70%039%0.385CS..Hα-helixtrans-65.1-47.4176.2176.8-102.5000111.6T6 W10 Q34 S35 L36 E37 A41 T42 V43 L52T6-F39 HydrophobicContact CG2-CD1 4.32Å; T6-F39 HydrophobicContact CG2-CE1 4.18Å; W10-F39 HydrophobicContact CB-CD1 3.67Å; W10-F39 HydrophobicContact CB-CE1 3.78Å; W10-F39 HydrophobicContact CB-CG 4.15Å; W10-F39 HydrophobicContact CB-CZ 4.37Å; W10-F39 AromaticContact CD1-CG 3.62Å; W10-F39 HydrophobicContact CG-CB 4.4Å; W10-F39 HydrophobicContact CG-CD1 4.17Å; W10-F39 HydrophobicContact CG-CG 4.23Å; Q34-F39 HydrophobicContact CG-CB 4.36Å; S35-F39 WeakPolarHBondContact O-CB 3.32Å; S35-F39 PolarHBondContact O-N 3.34Å; L36-F39 WeakPolarHBondContact O-CB 3.27Å; L36-F39 PolarHBondContact O-N 3.1Å; E37-F39 VanDerWaalsContact C-N 3.27Å; E37-F39 PolarHBondContact O-N 3.05Å; F39-A41 VanDerWaalsContact C-N 3.28Å; F39-A41 PolarHBondContact O-N 3.39Å; F39-T42 PolarHBondContact O-N 2.71Å; F39-T42 VanDerWaalsContact O-N 3.13Å; F39-V43 HydrophobicContact CD2-CG2 4.02Å; F39-V43 HydrophobicContact CE2-CG2 3.71Å; F39-V43 HydrophobicContact CZ-CG2 4.21Å; F39-V43 PolarHBondContact O-N 2.78Å; F39-L52 HydrophobicContact CE2-CD2 3.76Å; F39-L52 HydrophobicContact CZ-CD2 3.54Å
40K89.8Confident87.5Confident49 Ų4972.3 Ų72.321%0.21339%0.388CS..Hα-helixtrans-57.9-40.7173.3-75.3-175173.9-146.70111.8D3 T6 L36 E37 T42 G44 D45D3-K40 IonicContact OD1-NZ 3.92Å; D3-K40 PolarHBondContact OD1-NZ 3.37Å; T6-K40 HydrophobicContact CG2-CD 4.4Å; T6-K40 HydrophobicContact CG2-CG 3.76Å; L36-K40 WeakPolarHBondContact O-CG 3.2Å; L36-K40 PolarHBondContact O-N 2.74Å; E37-K40 PolarHBondContact O-N 3.12Å; K40-T42 VanDerWaalsContact C-N 3.32Å; K40-T42 PolarHBondContact O-N 3.02Å; K40-G44 CarbonylContact O-C 3.56Å; K40-G44 WeakPolarHBondContact O-CA 3.42Å; K40-G44 PolarHBondContact O-N 3.39Å; K40-D45 HydrophobicContact CD-CB 4.49Å; K40-D45 WeakPolarHBondContact CE-OD2 3.49Å; K40-D45 HydrophobicContact CG-CB 4.41Å; K40-D45 IonicContact NZ-OD2 2.97Å; K40-D45 PolarHBondContact NZ-OD2 3.12Å
41A88.8Confident87.3Confident88 Ų8868.2 Ų68.273%0.72737%0.374SS*.Hα-helixtrans-67.2-31.8177.300000113.2E37 D38 F39E37-A41 WeakPolarHBondContact O-CB 3.28Å; E37-A41 PolarHBondContact O-N 2.94Å; D38-A41 PolarHBondContact O-N 3.05Å; F39-A41 VanDerWaalsContact C-N 3.28Å; F39-A41 PolarHBondContact O-N 3.39Å
42T86.1Confident87.3Confident103 Ų10364.4 Ų64.463%0.63236%0.357SS*.Hα-helixtrans-82-43.8-177-53.50000112.5Q34 D38 F39 K40Q34-T42 PolarHBondContact NE2-OG1 3.45Å; D38-T42 WeakPolarHBondContact O-CB 3.33Å; D38-T42 PolarHBondContact O-N 3.34Å; D38-T42 PolarHBondContact O-OG1 2.91Å; F39-T42 PolarHBondContact O-N 2.71Å; F39-T42 VanDerWaalsContact O-N 3.13Å; K40-T42 VanDerWaalsContact C-N 3.32Å; K40-T42 PolarHBondContact O-N 3.02Å
43V85.2Confident87.4Confident18 Ų1866.4 Ų66.411%0.10937%0.367CS..Hα-helixtrans-102-17.4-171.6-168.80000112.2F39 P47 D51 L52F39-V43 HydrophobicContact CD2-CG2 4.02Å; F39-V43 HydrophobicContact CE2-CG2 3.71Å; F39-V43 HydrophobicContact CZ-CG2 4.21Å; F39-V43 PolarHBondContact O-N 2.78Å; V43-P47 HydrophobicContact CB-CB 4.09Å; V43-P47 HydrophobicContact CG1-CB 3.42Å; V43-P47 VanDerWaalsContact CG1-CB 3.42Å; V43-D51 HydrophobicContact CG1-CB 3.73Å; V43-L52 HydrophobicContact CG1-CD2 3.96Å; V43-L52 HydrophobicContact CG2-CD2 4.29Å
44G81.8Confident87.5Confident30 Ų3059.4 Ų59.431%0.30934%0.335SS..THydrogen-bonded Turntrans89.5167.5-170.600000112.8K40K40-G44 CarbonylContact O-C 3.56Å; K40-G44 WeakPolarHBondContact O-CA 3.42Å; K40-G44 PolarHBondContact O-N 3.39Å
45D80.5Confident87.6Confident77 Ų7761.2 Ų61.241%0.41235%0.348SS..THydrogen-bonded Turntrans-133.1105.6177-161.917.1000108.7T6 K40T6-D45 PolarHBondContact OG1-OD1 3.16Å; K40-D45 HydrophobicContact CD-CB 4.49Å; K40-D45 WeakPolarHBondContact CE-OD2 3.49Å; K40-D45 HydrophobicContact CG-CB 4.41Å; K40-D45 IonicContact NZ-OD2 2.97Å; K40-D45 PolarHBondContact NZ-OD2 3.12Å
46P79.5Confident87.6Confident90 Ų9059.6 Ų59.658%0.58434%0.336SS*.THydrogen-bonded Turncis-79.8146.67.932.5-35000113.4
47P82.5Confident87.8Confident16 Ų1660.3 Ų60.310%0.10434%0.34CS..THydrogen-bonded Turntrans-73.9134.3178.129.7-35.6000111.9T6 L9 V43T6-P47 HydrophobicContact CG2-CG 4.23Å; T6-P47 WeakPolarHBondContact OG1-CD 3.35Å; L9-P47 HydrophobicContact CD1-CG 3.72Å; V43-P47 HydrophobicContact CB-CB 4.09Å; V43-P47 HydrophobicContact CG1-CB 3.42Å; V43-P47 VanDerWaalsContact CG1-CB 3.42Å
48T86Confident87.9Confident64 Ų6454.3 Ų54.339%0.39331%0.312SS..PPolyproline II helixtrans-75131.9169.6-410000109.5K50 D51T48-K50 HydrophobicContact CG2-CB 4.2Å; T48-K50 HydrophobicContact CG2-CG 4.47Å; T48-K50 PolarHBondContact O-N 2.97Å; T48-K50 VanDerWaalsContact O-N 3.1Å; T48-D51 WeakPolarHBondContact CB-OD2 3.29Å; T48-D51 WeakPolarHBondContact O-CB 3.37Å; T48-D51 PolarHBondContact O-N 2.95Å; T48-D51 PolarHBondContact OG1-OD2 3.23Å; T48-D51 VanDerWaalsContact OG1-OD2 3.12Å
49R86.5Confident87.8Confident35 Ų3556.4 Ų56.413%0.13232%0.319CS..G310 helixtrans-57-28.8176.8-76.6-172.3167.4111.13.6113.5E5 D51 L52 F70 P71 Q101 E127E5-R49 IonicContact OE1-CZ 2.74Å; E5-R49 IonicContact OE1-NH2 3.54Å; E5-R49 PolarHBondContact OE1-NH2 3.25Å; E5-R49 VanDerWaalsContact OE1-NH2 3.13Å; R49-D51 VanDerWaalsContact C-N 3.31Å; R49-D51 PolarHBondContact O-N 3.1Å; R49-L52 WeakPolarHBondContact O-CB 3.41Å; R49-L52 PolarHBondContact O-N 3.37Å; R49-F70 HydrophobicContact CB-CB 4.12Å; R49-F70 WeakPolarHBondContact O-CB 3.41Å; R49-P71 VanDerWaalsContact CD-O 3.26Å; R49-P71 WeakPolarHBondContact CD-O 3.49Å; R49-Q101 VanDerWaalsContact NH2-CD 3.31Å; R49-E127 IonicContact CZ-OE1 3.43Å; R49-E127 IonicContact NE-OE1 3.57Å; R49-E127 PolarHBondContact NE-OE1 3.41Å; R49-E127 IonicContact NH2-OE1 3.13Å; R49-E127 PolarHBondContact NH2-OE1 3.48Å; R49-E127 IonicContact NH2-OE2 2.71Å
50K85.3Confident87.7Confident141 Ų14164.8 Ų64.861%0.61336%0.358SS*.G310 helixtrans-64.6-34.4175.5-66179.5-173.3166.10113.1T48 L52 L53 E72T48-K50 HydrophobicContact CG2-CB 4.2Å; T48-K50 HydrophobicContact CG2-CG 4.47Å; T48-K50 PolarHBondContact O-N 2.97Å; T48-K50 VanDerWaalsContact O-N 3.1Å; K50-L52 PolarHBondContact O-N 3.23Å; K50-L53 WeakPolarHBondContact O-CB 3.18Å; K50-L53 PolarHBondContact O-N 3.33Å; K50-E72 WeakPolarHBondContact CE-OE2 3.08Å; K50-E72 IonicContact NZ-OE2 2.85Å
51D85.4Confident87.6Confident94 Ų9466.5 Ų66.550%0.50337%0.369SS..G310 helixtrans-76.3-10.6-179.8-57.6-30.3000111.8V43 T48 R49 L53V43-D51 HydrophobicContact CG1-CB 3.73Å; T48-D51 WeakPolarHBondContact CB-OD2 3.29Å; T48-D51 WeakPolarHBondContact O-CB 3.37Å; T48-D51 PolarHBondContact O-N 2.95Å; T48-D51 PolarHBondContact OG1-OD2 3.23Å; T48-D51 VanDerWaalsContact OG1-OD2 3.12Å; R49-D51 VanDerWaalsContact C-N 3.31Å; R49-D51 PolarHBondContact O-N 3.1Å; D51-L53 VanDerWaalsContact C-N 3.28Å
52L89.4Confident87.5Confident0 Ų066.7 Ų66.70%036%0.363CS..G310 helixtrans-83.3-1173.1-57178.8000113.5L9 F39 V43 R49 K50 M54 F70L9-L52 HydrophobicContact CB-CD1 4.02Å; L9-L52 HydrophobicContact CD1-CD1 4.06Å; L9-L52 HydrophobicContact CD2-CD1 3.82Å; L9-L52 HydrophobicContact CG-CD1 4.17Å; F39-L52 HydrophobicContact CE2-CD2 3.76Å; F39-L52 HydrophobicContact CZ-CD2 3.54Å; V43-L52 HydrophobicContact CG1-CD2 3.96Å; V43-L52 HydrophobicContact CG2-CD2 4.29Å; R49-L52 WeakPolarHBondContact O-CB 3.41Å; R49-L52 PolarHBondContact O-N 3.37Å; K50-L52 PolarHBondContact O-N 3.23Å; L52-M54 WeakPolarHBondContact O-CG 3.47Å; L52-M54 PolarHBondContact O-N 3.45Å; L52-F70 HydrophobicContact CB-CB 4.25Å; L52-F70 HydrophobicContact CB-CD1 4.27Å; L52-F70 HydrophobicContact CB-CD2 3.56Å; L52-F70 HydrophobicContact CB-CE2 3.86Å; L52-F70 HydrophobicContact CB-CG 3.78Å; L52-F70 HydrophobicContact CB-CZ 4.32Å; L52-F70 HydrophobicContact CD1-CD1 4.06Å; L52-F70 HydrophobicContact CD1-CE1 4.36Å; L52-F70 HydrophobicContact CD1-CG 4.27Å; L52-F70 VanDerWaalsContact O-CD2 3.26Å; L52-F70 WeakPolarHBondContact O-CD2 3.41Å; L52-F70 WeakPolarHBondContact O-CE2 3.3Å
53L91.8Very high87.5Confident62 Ų6265.2 Ų65.233%0.32536%0.361SS..  trans-51.1129.2173.7179.363.7000110.4K50 D51 Y67 V68 F69K50-L53 WeakPolarHBondContact O-CB 3.18Å; K50-L53 PolarHBondContact O-N 3.33Å; D51-L53 VanDerWaalsContact C-N 3.28Å; L53-Y67 HydrophobicContact CD1-CD1 3.85Å; L53-Y67 HydrophobicContact CD1-CE1 4.23Å; L53-V68 WeakPolarHBondContact CD1-O 3.42Å; L53-F69 HydrophobicContact CD1-CD1 3.38Å; L53-F69 HydrophobicContact CD1-CE1 3.51Å; L53-F69 HydrophobicContact CD1-CG 4.23Å; L53-F69 HydrophobicContact CD1-CZ 4.46Å
54M92.2Very high87.7Confident10 Ų1066.3 Ų66.35%0.04937%0.366CS..EExtended strand (participates in β ladder)trans-122.7143174.3-52.9179.6-65.200110R13 I16 L17 L52 V68 F70R13-M54 HydrophobicContact CG-SD 3.81Å; I16-M54 HydrophobicContact CB-CE 3.88Å; I16-M54 HydrophobicContact CD1-CE 4.21Å; I16-M54 HydrophobicContact CG2-CE 3.41Å; I16-M54 VanDerWaalsContact CG2-CE 3.41Å; L17-M54 HydrophobicContact CD2-SD 3.79Å; L17-M54 HydrophobicContact CG-SD 4.06Å; L52-M54 WeakPolarHBondContact O-CG 3.47Å; L52-M54 PolarHBondContact O-N 3.45Å; M54-V68 HydrophobicContact CB-CB 4.1Å; M54-V68 HydrophobicContact CB-CG2 4.35Å; M54-V68 HydrophobicContact CE-CB 3.67Å; M54-V68 HydrophobicContact CE-CG1 3.61Å; M54-V68 HydrophobicContact CE-CG2 3.86Å; M54-V68 PolarHBondContact N-O 3.03Å; M54-V68 VanDerWaalsContact N-O 3.14Å; M54-V68 PolarHBondContact O-N 3.27Å; M54-F70 HydrophobicContact CE-CE2 4.06Å; M54-F70 HydrophobicContact CE-CZ 4.25Å
55V93.1Very high88.2Confident68 Ų6867 Ų6741%0.41236%0.363SS..EExtended strand (participates in β ladder)trans-127.9121.9172-170.80000106.6Y67V55-Y67 HydrophobicContact CB-CE1 4.44Å; V55-Y67 HydrophobicContact CG1-CE1 4.48Å; V55-Y67 HydrophobicContact CG1-CE2 4.42Å; V55-Y67 HydrophobicContact CG2-CD1 3.75Å; V55-Y67 HydrophobicContact CG2-CE1 3.24Å
56V93.5Very high88.8Confident9 Ų963.4 Ų63.46%0.05534%0.343CS..EExtended strand (participates in β ladder)trans-126.3141.6179.3-61.20000109.7C20 Y25 V27 L66C20-V56 HydrophobicContact CB-CG2 4.15Å; Y25-V56 HydrophobicContact CD1-CB 4.42Å; Y25-V56 HydrophobicContact CD1-CG2 3.75Å; Y25-V56 HydrophobicContact CE1-CG2 4.5Å; Y25-V56 HydrophobicContact CG-CG2 3.8Å; V27-V56 HydrophobicContact CG2-CG1 4.43Å; V56-L66 HydrophobicContact CG2-CB 3.79Å; V56-L66 HydrophobicContact CG2-CD2 4.07Å; V56-L66 HydrophobicContact CG2-CG 4.21Å; V56-L66 PolarHBondContact N-O 2.93Å; V56-L66 PolarHBondContact O-N 2.98Å
57N93.4Very high89.6Confident66 Ų6659.9 Ų59.935%0.35332%0.318SS..EExtended strand (participates in β ladder)trans-104.4143-179-59.1-26.4000109.7L26 M65L26-N57 WeakPolarHBondContact CB-O 3.45Å; L26-N57 PolarHBondContact N-O 3.1Å; N57-M65 VanDerWaalsContact OD1-CG 3.29Å; N57-M65 WeakPolarHBondContact OD1-CG 3.43Å
58H92.9Very high90.2Very high32 Ų3259.1 Ų59.115%0.14831%0.313CS..BIsolated β-bridgetrans-67.9146176.7-169.4-97.5000111.1G24 Y25 E60 D61 D64G24-H58 PolarHBondContact O-CD2 2.86Å; Y25-H58 HydrophobicContact CD1-CB 4.1Å; Y25-H58 HydrophobicContact CE1-CB 4.02Å; H58-E60 IonicContact CE1-OE2 2.84Å; H58-E60 PolarHBondContact ND1-N 3.12Å; H58-E60 VanDerWaalsContact ND1-N 3.18Å; H58-D61 WeakPolarHBondContact CB-O 3.26Å; H58-D61 PolarHBondContact ND1-N 3.43Å; H58-D64 HydrophobicContact CB-CB 3.91Å; H58-D64 WeakPolarHBondContact CB-O 3.19Å; H58-D64 PolarHBondContact N-O 2.85Å
59E89.7Confident90.7Very high133 Ų13356.2 Ų56.262%0.62130%0.295SS*.SBendtrans-67.6-41.5-177.4-179.4167.3-168.600112.3G24 L26G24-E59 WeakPolarHBondContact O-CB 3.35Å; G24-E59 PolarHBondContact O-N 3.22Å; L26-E59 HydrophobicContact CD2-CB 3.82Å; L26-E59 HydrophobicContact CD2-CG 3.82Å; L26-E59 HydrophobicContact CG-CB 4.06Å
60E88.4Confident91Very high176 Ų17654.9 Ų54.982%0.82229%0.29SS*.SBendtrans-87-27.2-178.5-55.6-178157.600113.5H58H58-E60 IonicContact CE1-OE2 2.84Å; H58-E60 PolarHBondContact ND1-N 3.12Å; H58-E60 VanDerWaalsContact ND1-N 3.18Å
61D88.6Confident91.4Very high84 Ų8448.2 Ų48.245%0.44926%0.261SS..  trans-135.694.1-175.7-176.13.6000110.3H58 A63 D64H58-D61 WeakPolarHBondContact CB-O 3.26Å; H58-D61 PolarHBondContact ND1-N 3.43Å; D61-A63 PolarHBondContact O-N 3.2Å; D61-A63 WeakPolarHBondContact OD1-CB 3.36Å; D61-A63 PolarHBondContact OD1-N 3.04Å; D61-D64 HydrophobicContact CB-CB 4.41Å; D61-D64 PolarHBondContact O-N 2.85Å
62P85.5Confident91.6Very high92 Ų9249 Ų4960%0.59726%0.262SS*.THydrogen-bonded Turntrans-59.1-17179.8-25.334.8000114.5
63A85.9Confident91.6Very high72 Ų7252.5 Ų52.560%0.59528%0.278SS*.THydrogen-bonded Turntrans-78.4-22174.900000112.7D61 M65D61-A63 PolarHBondContact O-N 3.2Å; D61-A63 WeakPolarHBondContact OD1-CB 3.36Å; D61-A63 PolarHBondContact OD1-N 3.04Å; A63-M65 VanDerWaalsContact C-N 3.34Å; A63-M65 PolarHBondContact O-N 2.93Å
64D89.1Confident91.5Very high41 Ų4154.3 Ų54.322%0.21929%0.285CS..  trans-79.685.4171.5-169.416.7000109.9Y25 H58 D61 R95Y25-D64 PolarHBondContact OH-OD2 2.72Å; H58-D64 HydrophobicContact CB-CB 3.91Å; H58-D64 WeakPolarHBondContact CB-O 3.19Å; H58-D64 PolarHBondContact N-O 2.85Å; D61-D64 HydrophobicContact CB-CB 4.41Å; D61-D64 PolarHBondContact O-N 2.85Å; D64-R95 WeakPolarHBondContact OD1-CD 3.37Å; D64-R95 IonicContact OD2-CZ 3.22Å; D64-R95 IonicContact OD2-NH1 3.78Å; D64-R95 PolarHBondContact OD2-NH1 2.88Å
65M92.3Very high91.5Very high46 Ų4658.9 Ų58.923%0.22731%0.305CS..EExtended strand (participates in β ladder)trans-88.4145.4173.7-59.4-167.8-75.600110.8N57 A63 D91 T93N57-M65 VanDerWaalsContact OD1-CG 3.29Å; N57-M65 WeakPolarHBondContact OD1-CG 3.43Å; A63-M65 VanDerWaalsContact C-N 3.34Å; A63-M65 PolarHBondContact O-N 2.93Å; M65-D91 HydrophobicContact CE-CB 4.44Å; M65-D91 WeakPolarHBondContact CE-O 3.36Å; M65-T93 HydrophobicContact CB-CG2 3.95Å; M65-T93 WeakPolarHBondContact CE-OG1 3.39Å; M65-T93 WeakPolarHBondContact O-CG2 3.35Å
66L94.5Very high91.5Very high0 Ų055.7 Ų55.70%029%0.286CS..EExtended strand (participates in β ladder)trans-123.2119174.9174.667.7000110Y25 V56 R95 I97Y25-L66 HydrophobicContact CD1-CB 4.07Å; Y25-L66 HydrophobicContact CD2-CD2 4.05Å; Y25-L66 HydrophobicContact CE1-CB 3.48Å; Y25-L66 VanDerWaalsContact CE1-CB 3.48Å; Y25-L66 HydrophobicContact CE1-CD2 4.34Å; Y25-L66 HydrophobicContact CE2-CB 4.3Å; Y25-L66 HydrophobicContact CE2-CD2 3.65Å; V56-L66 HydrophobicContact CG2-CB 3.79Å; V56-L66 HydrophobicContact CG2-CD2 4.07Å; V56-L66 HydrophobicContact CG2-CG 4.21Å; V56-L66 PolarHBondContact N-O 2.93Å; V56-L66 PolarHBondContact O-N 2.98Å; L66-R95 HydrophobicContact CD1-CB 3.82Å; L66-I97 HydrophobicContact CD1-CD1 4.31Å; L66-I97 HydrophobicContact CD1-CG1 4.18Å; L66-I97 HydrophobicContact CD2-CD1 3.92Å; L66-I97 HydrophobicContact CG-CD1 4.49Å
67Y95Very high91.5Very high16 Ų1657.6 Ų57.66%0.06330%0.295CS..EExtended strand (participates in β ladder)trans-85.7140.4171.5-92.5-80.7000111.4L53 V55 F69 M88 D91 T93 R95 A96 I97L53-Y67 HydrophobicContact CD1-CD1 3.85Å; L53-Y67 HydrophobicContact CD1-CE1 4.23Å; V55-Y67 HydrophobicContact CB-CE1 4.44Å; V55-Y67 HydrophobicContact CG1-CE1 4.48Å; V55-Y67 HydrophobicContact CG1-CE2 4.42Å; V55-Y67 HydrophobicContact CG2-CD1 3.75Å; V55-Y67 HydrophobicContact CG2-CE1 3.24Å; Y67-F69 VanDerWaalsContact CB-CE2 3.47Å; Y67-F69 AromaticContact CD1-CE1 3.84Å; Y67-F69 HydrophobicContact CD1-CE1 3.84Å; Y67-F69 HydrophobicContact CD1-CE2 4.1Å; Y67-F69 AromaticContact CD1-CZ 3.48Å; Y67-F69 HydrophobicContact CD1-CZ 3.48Å; Y67-F69 VanDerWaalsContact CD1-CZ 3.48Å; Y67-F69 HydrophobicContact CE1-CE1 4.43Å; Y67-F69 HydrophobicContact CE1-CZ 4.24Å; Y67-F69 HydrophobicContact CG-CE1 4.46Å; Y67-F69 AromaticContact CG-CE2 3.93Å; Y67-F69 HydrophobicContact CG-CE2 3.93Å; Y67-F69 AromaticContact CG-CZ 3.68Å; Y67-F69 HydrophobicContact CG-CZ 3.68Å; Y67-M88 HydrophobicContact CD2-CG 4.19Å; Y67-D91 HydrophobicContact CE2-CB 4.14Å; Y67-D91 PolarHBondContact OH-OD2 3.21Å; Y67-T93 HydrophobicContact CD2-CG2 3.75Å; Y67-T93 HydrophobicContact CE2-CG2 4.33Å; Y67-R95 PolarHBondContact N-O 2.86Å; Y67-R95 VanDerWaalsContact N-O 3.16Å; Y67-A96 CarbonylContact O-C 3.59Å; Y67-A96 WeakPolarHBondContact O-CA 3.42Å; Y67-I97 PolarHBondContact O-N 3.35Å
68V96.2Very high91.3Very high0 Ų057.7 Ų57.70%030%0.295CS..EExtended strand (participates in β ladder)trans-122.6109.5168.4-172.20000109I16 L53 M54 F70 I97 V99I16-V68 HydrophobicContact CD1-CG1 4.01Å; I16-V68 HydrophobicContact CG2-CG1 4.06Å; I16-V68 HydrophobicContact CG2-CG2 3.98Å; L53-V68 WeakPolarHBondContact CD1-O 3.42Å; M54-V68 HydrophobicContact CB-CB 4.1Å; M54-V68 HydrophobicContact CB-CG2 4.35Å; M54-V68 HydrophobicContact CE-CB 3.67Å; M54-V68 HydrophobicContact CE-CG1 3.61Å; M54-V68 HydrophobicContact CE-CG2 3.86Å; M54-V68 PolarHBondContact N-O 3.03Å; M54-V68 VanDerWaalsContact N-O 3.14Å; M54-V68 PolarHBondContact O-N 3.27Å; V68-F70 HydrophobicContact CG1-CD2 4.43Å; V68-F70 HydrophobicContact CG1-CE2 3.75Å; V68-F70 HydrophobicContact CG1-CZ 4.27Å; V68-I97 WeakPolarHBondContact CA-O 3.47Å; V68-I97 HydrophobicContact CG1-CB 4.28Å; V68-I97 HydrophobicContact CG1-CG2 4.16Å; V68-I97 HydrophobicContact CG2-CB 4.3Å; V68-I97 HydrophobicContact CG2-CD1 4.49Å; V68-V99 HydrophobicContact CG1-CG2 3.95Å
69F95.2Very high91.3Very high4 Ų464.2 Ų64.22%0.01832%0.322CS..EExtended strand (participates in β ladder)trans-100.8141.9179.7-60.1-77000111.5L53 Y67 Y84 M88 A96 I97 L98 V99L53-F69 HydrophobicContact CD1-CD1 3.38Å; L53-F69 HydrophobicContact CD1-CE1 3.51Å; L53-F69 HydrophobicContact CD1-CG 4.23Å; L53-F69 HydrophobicContact CD1-CZ 4.46Å; Y67-F69 VanDerWaalsContact CB-CE2 3.47Å; Y67-F69 AromaticContact CD1-CE1 3.84Å; Y67-F69 HydrophobicContact CD1-CE1 3.84Å; Y67-F69 HydrophobicContact CD1-CE2 4.1Å; Y67-F69 AromaticContact CD1-CZ 3.48Å; Y67-F69 HydrophobicContact CD1-CZ 3.48Å; Y67-F69 VanDerWaalsContact CD1-CZ 3.48Å; Y67-F69 HydrophobicContact CE1-CE1 4.43Å; Y67-F69 HydrophobicContact CE1-CZ 4.24Å; Y67-F69 HydrophobicContact CG-CE1 4.46Å; Y67-F69 AromaticContact CG-CE2 3.93Å; Y67-F69 HydrophobicContact CG-CE2 3.93Å; Y67-F69 AromaticContact CG-CZ 3.68Å; Y67-F69 HydrophobicContact CG-CZ 3.68Å; F69-Y84 HydrophobicContact CB-CD1 4.36Å; F69-Y84 HydrophobicContact CB-CD2 4.4Å; F69-Y84 HydrophobicContact CB-CE1 4.2Å; F69-Y84 HydrophobicContact CB-CE2 4.22Å; F69-Y84 HydrophobicContact CB-CG 4.48Å; F69-Y84 AromaticContact CD1-CD1 3.4Å; F69-Y84 HydrophobicContact CD1-CD1 3.4Å; F69-Y84 VanDerWaalsContact CD1-CD1 3.4Å; F69-Y84 AromaticContact CD1-CE1 3.65Å; F69-Y84 HydrophobicContact CD1-CE1 3.65Å; F69-Y84 HydrophobicContact CD1-CG 4.02Å; F69-Y84 HydrophobicContact CD2-CD1 4.34Å; F69-Y84 HydrophobicContact CD2-CG 4.12Å; F69-Y84 AromaticContact CE1-CD1 3.64Å; F69-Y84 HydrophobicContact CE1-CD1 3.64Å; F69-Y84 HydrophobicContact CE1-CE1 4.27Å; F69-Y84 HydrophobicContact CE1-CG 4.25Å; F69-Y84 HydrophobicContact CE2-CG 4.33Å; F69-Y84 AromaticContact CG-CD1 3.8Å; F69-Y84 HydrophobicContact CG-CD1 3.8Å; F69-Y84 HydrophobicContact CG-CD2 4.33Å; F69-Y84 HydrophobicContact CG-CE1 4.06Å; F69-Y84 AromaticContact CG-CG 3.96Å; F69-Y84 HydrophobicContact CG-CG 3.96Å; F69-Y84 HydrophobicContact CZ-CD1 4.21Å; F69-Y84 HydrophobicContact CZ-CG 4.4Å; F69-M88 HydrophobicContact CE2-CG 3.95Å; F69-M88 HydrophobicContact CE2-SD 4.05Å; F69-M88 HydrophobicContact CZ-CG 4.06Å; F69-A96 HydrophobicContact CD2-CB 4.03Å; F69-A96 HydrophobicContact CE2-CB 3.86Å; F69-I97 PolarHBondContact N-O 3.2Å; F69-L98 HydrophobicContact CB-CD2 3.82Å; F69-L98 HydrophobicContact CD2-CD2 3.88Å; F69-L98 HydrophobicContact CG-CD2 4.25Å; F69-V99 PolarHBondContact O-N 2.7Å
70F94.4Very high91.4Very high6 Ų658.9 Ų58.93%0.02630%0.299CS..  trans-116.896.7173.4-67.6-102.6000108.9I12 I16 R49 L52 M54 V68 V99I12-F70 HydrophobicContact CG2-CE1 3.92Å; I12-F70 HydrophobicContact CG2-CZ 4.49Å; I16-F70 HydrophobicContact CD1-CE1 4.18Å; I16-F70 HydrophobicContact CD1-CE2 4.48Å; I16-F70 HydrophobicContact CD1-CZ 3.63Å; R49-F70 HydrophobicContact CB-CB 4.12Å; R49-F70 WeakPolarHBondContact O-CB 3.41Å; L52-F70 HydrophobicContact CB-CB 4.25Å; L52-F70 HydrophobicContact CB-CD1 4.27Å; L52-F70 HydrophobicContact CB-CD2 3.56Å; L52-F70 HydrophobicContact CB-CE2 3.86Å; L52-F70 HydrophobicContact CB-CG 3.78Å; L52-F70 HydrophobicContact CB-CZ 4.32Å; L52-F70 HydrophobicContact CD1-CD1 4.06Å; L52-F70 HydrophobicContact CD1-CE1 4.36Å; L52-F70 HydrophobicContact CD1-CG 4.27Å; L52-F70 VanDerWaalsContact O-CD2 3.26Å; L52-F70 WeakPolarHBondContact O-CD2 3.41Å; L52-F70 WeakPolarHBondContact O-CE2 3.3Å; M54-F70 HydrophobicContact CE-CE2 4.06Å; M54-F70 HydrophobicContact CE-CZ 4.25Å; V68-F70 HydrophobicContact CG1-CD2 4.43Å; V68-F70 HydrophobicContact CG1-CE2 3.75Å; V68-F70 HydrophobicContact CG1-CZ 4.27Å; F70-V99 HydrophobicContact CD1-CB 3.78Å; F70-V99 HydrophobicContact CD1-CG1 3.85Å; F70-V99 HydrophobicContact CD1-CG2 4.17Å; F70-V99 HydrophobicContact CE1-CB 3.92Å; F70-V99 HydrophobicContact CE1-CG1 3.81Å; F70-V99 HydrophobicContact CE1-CG2 3.88Å; F70-V99 HydrophobicContact CE2-CG2 4.41Å; F70-V99 HydrophobicContact CG-CB 4.29Å; F70-V99 HydrophobicContact CZ-CG2 4.02Å
71P93.3Very high91.6Very high1 Ų150.7 Ų50.71%0.00626%0.261CS..  trans-67.7132.7178.8-20.535.9000112.1R49 V76 Y84 V99 L100 Q101R49-P71 VanDerWaalsContact CD-O 3.26Å; R49-P71 WeakPolarHBondContact CD-O 3.49Å; P71-V76 HydrophobicContact CB-CG2 3.49Å; P71-V76 VanDerWaalsContact CB-CG2 3.49Å; P71-V76 HydrophobicContact CG-CG2 3.82Å; P71-Y84 WeakPolarHBondContact CA-OH 3.45Å; P71-Y84 HydrophobicContact CB-CE2 4.44Å; P71-Y84 HydrophobicContact CG-CE2 3.95Å; P71-V99 WeakPolarHBondContact CD-O 3.41Å; P71-L100 HydrophobicContact CG-CD2 4.42Å; P71-Q101 PolarHBondContact O-NE2 2.77Å
72E90Very high91.8Very high112 Ų11253.6 Ų53.652%0.52327%0.266SS..SBendtrans-71.3-33.5178.2-166.5176.1171.800112.4K50 Q101K50-E72 WeakPolarHBondContact CE-OE2 3.08Å; K50-E72 IonicContact NZ-OE2 2.85Å; E72-Q101 VanDerWaalsContact C-NE2 3.34Å; E72-Q101 PolarHBondContact O-NE2 2.83Å
73E89.1Confident92.1Very high72 Ų7251.9 Ų51.934%0.33626%0.259SS..SBendtrans-69130178.7-59.5177.3157.800111.3K75 N77 T80 Q101E73-K75 PolarHBondContact O-N 3.46Å; E73-N77 PolarHBondContact OE1-ND2 2.76Å; E73-N77 PolarHBondContact OE2-N 2.92Å; E73-N77 PolarHBondContact OE2-ND2 2.86Å; E73-N77 VanDerWaalsContact OE2-ND2 3.1Å; E73-T80 VanDerWaalsContact CD-OG1 3.28Å; E73-T80 PolarHBondContact OE1-OG1 2.86Å; E73-T80 PolarHBondContact OE2-OG1 3.35Å; E73-Q101 PolarHBondContact O-NE2 3.16Å
74E88.8Confident92.4Very high101 Ų10150.2 Ų50.247%0.47224%0.238SC..SBendtrans-57.2-38.1173.3-69.3-178.8170.100111.9K103 G104E74-K103 HydrophobicContact CB-CB 4.38Å; E74-K103 HydrophobicContact CB-CD 4.02Å; E74-K103 HydrophobicContact CB-CG 4.39Å; E74-K103 WeakPolarHBondContact O-CB 3.16Å; E74-K103 WeakPolarHBondContact OE2-CD 3.4Å; E74-K103 WeakPolarHBondContact OE2-CE 3.48Å; E74-K103 IonicContact OE2-NZ 2.64Å; E74-K103 PolarHBondContact OE2-NZ 3.07Å; E74-G104 PolarHBondContact O-N 3.33Å
75K92.8Very high92.6Very high106 Ų10648.9 Ų48.946%0.46123%0.23SC..SBendtrans-119.8106.2177.9-165.9-180-170.7176.50110.2E73 N77 K103 G104 T106E73-K75 PolarHBondContact O-N 3.46Å; K75-N77 PolarHBondContact O-N 3.2Å; K75-K103 HydrophobicContact CB-CB 3.92Å; K75-K103 HydrophobicContact CG-CB 4.35Å; K75-G104 CarbonylContact C-O 3.56Å; K75-G104 VanDerWaalsContact CA-O 3.32Å; K75-G104 WeakPolarHBondContact CA-O 3.08Å; K75-T106 HydrophobicContact CD-CG2 4Å; K75-T106 HydrophobicContact CG-CG2 3.91Å
76V93.4Very high92.6Very high1 Ų150.8 Ų50.81%0.00624%0.242CC..BIsolated β-bridgetrans-73.9121.6-172.8-179.90000111.1P71 T80 V81 L100 G104 L105 T106P71-V76 HydrophobicContact CB-CG2 3.49Å; P71-V76 VanDerWaalsContact CB-CG2 3.49Å; P71-V76 HydrophobicContact CG-CG2 3.82Å; V76-T80 HydrophobicContact CG1-CG2 4.13Å; V76-V81 HydrophobicContact CG1-CG2 3.84Å; V76-L100 HydrophobicContact CB-CD2 4.27Å; V76-L100 HydrophobicContact CG2-CD2 3.65Å; V76-G104 PolarHBondContact N-O 2.51Å; V76-L105 HydrophobicContact CB-CD2 3.89Å; V76-L105 HydrophobicContact CG1-CD2 3.95Å; V76-T106 WeakPolarHBondContact O-CG2 3.38Å; V76-T106 PolarHBondContact O-N 3.28Å; V76-T106 PolarHBondContact O-OG1 2.72Å
77N92.5Very high92.5Very high48 Ų4853.9 Ų53.926%0.25726%0.256SS..  trans-91.3169.6178.668.642000112.4E73 K75 K79 T80 V81E73-N77 PolarHBondContact OE1-ND2 2.76Å; E73-N77 PolarHBondContact OE2-N 2.92Å; E73-N77 PolarHBondContact OE2-ND2 2.86Å; E73-N77 VanDerWaalsContact OE2-ND2 3.1Å; K75-N77 PolarHBondContact O-N 3.2Å; N77-K79 VanDerWaalsContact C-N 3.26Å; N77-K79 PolarHBondContact O-N 3.46Å; N77-K79 WeakPolarHBondContact OD1-CA 3.42Å; N77-K79 VanDerWaalsContact OD1-CB 3.26Å; N77-K79 WeakPolarHBondContact OD1-CB 3.27Å; N77-K79 PolarHBondContact OD1-N 2.94Å; N77-T80 PolarHBondContact O-N 3.13Å; N77-T80 PolarHBondContact OD1-N 2.98Å; N77-T80 PolarHBondContact OD1-OG1 3.46Å; N77-T80 VanDerWaalsContact OD1-OG1 3.04Å; N77-V81 PolarHBondContact O-N 2.77Å
78M90.1Very high92.3Very high69 Ų6953.1 Ų53.134%0.3425%0.253SS..Hα-helixtrans-64.9-28.3179.1-172.1-174.968.600112.9V81 R82M78-V81 PolarHBondContact O-N 2.91Å; M78-R82 HydrophobicContact CG-CG 4.37Å; M78-R82 WeakPolarHBondContact O-CB 3.38Å; M78-R82 VanDerWaalsContact O-CG 3.31Å; M78-R82 WeakPolarHBondContact O-CG 3.43Å; M78-R82 PolarHBondContact O-N 2.95Å; M78-R82 PolarHBondContact SD-NH2 3Å; M78-R82 VanDerWaalsContact SD-NH2 3.42Å
79K92.3Very high92.1Very high168 Ų16857.9 Ų57.973%0.7328%0.275SS*.Hα-helixtrans-65.3-44.1179.6-175.9-174.1177.5-174.10110.4N77 R82 A83N77-K79 VanDerWaalsContact C-N 3.26Å; N77-K79 PolarHBondContact O-N 3.46Å; N77-K79 WeakPolarHBondContact OD1-CA 3.42Å; N77-K79 VanDerWaalsContact OD1-CB 3.26Å; N77-K79 WeakPolarHBondContact OD1-CB 3.27Å; N77-K79 PolarHBondContact OD1-N 2.94Å; K79-R82 PolarHBondContact O-N 2.86Å; K79-A83 PolarHBondContact O-N 3.4Å
80T92.6Very high91.9Very high22 Ų2265 Ų6514%0.13531%0.309CS..Hα-helixtrans-63.8-46.3176.9-55.60000111.2E73 V76 N77 R82 A83 Y84E73-T80 VanDerWaalsContact CD-OG1 3.28Å; E73-T80 PolarHBondContact OE1-OG1 2.86Å; E73-T80 PolarHBondContact OE2-OG1 3.35Å; V76-T80 HydrophobicContact CG1-CG2 4.13Å; N77-T80 PolarHBondContact O-N 3.13Å; N77-T80 PolarHBondContact OD1-N 2.98Å; N77-T80 PolarHBondContact OD1-OG1 3.46Å; N77-T80 VanDerWaalsContact OD1-OG1 3.04Å; T80-R82 VanDerWaalsContact C-N 3.35Å; T80-R82 PolarHBondContact O-N 2.98Å; T80-A83 WeakPolarHBondContact O-CB 3.27Å; T80-A83 PolarHBondContact O-N 3.42Å; T80-A83 VanDerWaalsContact O-N 3.17Å; T80-Y84 HydrophobicContact CG2-CD2 4.27Å; T80-Y84 HydrophobicContact CG2-CE2 3.49Å; T80-Y84 VanDerWaalsContact CG2-CE2 3.49Å; T80-Y84 WeakPolarHBondContact O-CD2 3.34Å; T80-Y84 PolarHBondContact O-N 3.01Å; T80-Y84 VanDerWaalsContact O-N 3.13Å
81V92Very high91.7Very high4 Ų467.7 Ų67.72%0.02432%0.323CS..Hα-helixtrans-60.4-42.8175.4177.70000111.8V76 N77 M78 A83 Y84 L85 L105 A109 I113V76-V81 HydrophobicContact CG1-CG2 3.84Å; N77-V81 PolarHBondContact O-N 2.77Å; M78-V81 PolarHBondContact O-N 2.91Å; V81-A83 VanDerWaalsContact C-N 3.33Å; V81-A83 PolarHBondContact O-N 3.1Å; V81-Y84 PolarHBondContact O-N 2.82Å; V81-L85 HydrophobicContact CG1-CD1 3.99Å; V81-L85 HydrophobicContact CG1-CG 4.46Å; V81-L85 VanDerWaalsContact O-CG 3.32Å; V81-L85 WeakPolarHBondContact O-CG 3.07Å; V81-L85 PolarHBondContact O-N 2.97Å; V81-L105 HydrophobicContact CG2-CD2 4.3Å; V81-A109 HydrophobicContact CG2-CB 4.18Å; V81-I113 HydrophobicContact CG1-CG1 4.15Å; V81-I113 HydrophobicContact CG2-CD1 4.45Å
82R92Very high91.4Very high145 Ų14571.4 Ų71.455%0.54735%0.349SS..Hα-helixtrans-63-37.5175.9-76178178.8-174.7-1.2112.8M78 K79 T80 L85 N86M78-R82 HydrophobicContact CG-CG 4.37Å; M78-R82 WeakPolarHBondContact O-CB 3.38Å; M78-R82 VanDerWaalsContact O-CG 3.31Å; M78-R82 WeakPolarHBondContact O-CG 3.43Å; M78-R82 PolarHBondContact O-N 2.95Å; M78-R82 PolarHBondContact SD-NH2 3Å; M78-R82 VanDerWaalsContact SD-NH2 3.42Å; K79-R82 PolarHBondContact O-N 2.86Å; T80-R82 VanDerWaalsContact C-N 3.35Å; T80-R82 PolarHBondContact O-N 2.98Å; R82-L85 PolarHBondContact O-N 3.23Å; R82-N86 VanDerWaalsContact O-CG 3.22Å; R82-N86 PolarHBondContact O-N 3.28Å; R82-N86 PolarHBondContact O-ND2 2.93Å
83A93Very high91.4Very high55 Ų5566.2 Ų66.246%0.45533%0.325SS..Hα-helixtrans-62-45.1175.800000111.4K79 T80 V81 N86 Q87K79-A83 PolarHBondContact O-N 3.4Å; T80-A83 WeakPolarHBondContact O-CB 3.27Å; T80-A83 PolarHBondContact O-N 3.42Å; T80-A83 VanDerWaalsContact O-N 3.17Å; V81-A83 VanDerWaalsContact C-N 3.33Å; V81-A83 PolarHBondContact O-N 3.1Å; A83-N86 PolarHBondContact O-N 3.11Å; A83-Q87 PolarHBondContact O-N 3.34Å; A83-Q87 VanDerWaalsContact O-N 3.1Å
84Y92.6Very high91.4Very high38 Ų3869.4 Ų69.415%0.14934%0.335CS..Hα-helixtrans-64.2-40.4175.7-60.6-40.1000112.8F69 P71 T80 V81 N86 Q87 M88 L98F69-Y84 HydrophobicContact CB-CD1 4.36Å; F69-Y84 HydrophobicContact CB-CD2 4.4Å; F69-Y84 HydrophobicContact CB-CE1 4.2Å; F69-Y84 HydrophobicContact CB-CE2 4.22Å; F69-Y84 HydrophobicContact CB-CG 4.48Å; F69-Y84 AromaticContact CD1-CD1 3.4Å; F69-Y84 HydrophobicContact CD1-CD1 3.4Å; F69-Y84 VanDerWaalsContact CD1-CD1 3.4Å; F69-Y84 AromaticContact CD1-CE1 3.65Å; F69-Y84 HydrophobicContact CD1-CE1 3.65Å; F69-Y84 HydrophobicContact CD1-CG 4.02Å; F69-Y84 HydrophobicContact CD2-CD1 4.34Å; F69-Y84 HydrophobicContact CD2-CG 4.12Å; F69-Y84 AromaticContact CE1-CD1 3.64Å; F69-Y84 HydrophobicContact CE1-CD1 3.64Å; F69-Y84 HydrophobicContact CE1-CE1 4.27Å; F69-Y84 HydrophobicContact CE1-CG 4.25Å; F69-Y84 HydrophobicContact CE2-CG 4.33Å; F69-Y84 AromaticContact CG-CD1 3.8Å; F69-Y84 HydrophobicContact CG-CD1 3.8Å; F69-Y84 HydrophobicContact CG-CD2 4.33Å; F69-Y84 HydrophobicContact CG-CE1 4.06Å; F69-Y84 AromaticContact CG-CG 3.96Å; F69-Y84 HydrophobicContact CG-CG 3.96Å; F69-Y84 HydrophobicContact CZ-CD1 4.21Å; F69-Y84 HydrophobicContact CZ-CG 4.4Å; P71-Y84 WeakPolarHBondContact CA-OH 3.45Å; P71-Y84 HydrophobicContact CB-CE2 4.44Å; P71-Y84 HydrophobicContact CG-CE2 3.95Å; T80-Y84 HydrophobicContact CG2-CD2 4.27Å; T80-Y84 HydrophobicContact CG2-CE2 3.49Å; T80-Y84 VanDerWaalsContact CG2-CE2 3.49Å; T80-Y84 WeakPolarHBondContact O-CD2 3.34Å; T80-Y84 PolarHBondContact O-N 3.01Å; T80-Y84 VanDerWaalsContact O-N 3.13Å; V81-Y84 PolarHBondContact O-N 2.82Å; Y84-N86 VanDerWaalsContact C-N 3.34Å; Y84-N86 PolarHBondContact O-N 3.19Å; Y84-Q87 WeakPolarHBondContact O-CB 3.35Å; Y84-Q87 PolarHBondContact O-N 3.43Å; Y84-M88 VanDerWaalsContact O-CG 3.3Å; Y84-M88 WeakPolarHBondContact O-CG 3.39Å; Y84-M88 PolarHBondContact O-N 3.13Å; Y84-L98 HydrophobicContact CD2-CD2 3.9Å; Y84-L98 HydrophobicContact CE2-CD2 4.25Å
85L91.9Very high91.6Very high12 Ų1266.9 Ų66.96%0.06332%0.321CS..Hα-helixtrans-62.2-41.5176.1-72.2165.3000112.4V81 R82 Q87 M88 Q89 L116 Y120 L122V81-L85 HydrophobicContact CG1-CD1 3.99Å; V81-L85 HydrophobicContact CG1-CG 4.46Å; V81-L85 VanDerWaalsContact O-CG 3.32Å; V81-L85 WeakPolarHBondContact O-CG 3.07Å; V81-L85 PolarHBondContact O-N 2.97Å; R82-L85 PolarHBondContact O-N 3.23Å; L85-Q87 VanDerWaalsContact C-N 3.29Å; L85-Q87 PolarHBondContact O-N 3Å; L85-M88 PolarHBondContact O-N 2.94Å; L85-Q89 WeakPolarHBondContact O-CB 3.17Å; L85-Q89 VanDerWaalsContact O-CG 3.27Å; L85-Q89 WeakPolarHBondContact O-CG 3.46Å; L85-Q89 PolarHBondContact O-N 3.17Å; L85-L116 HydrophobicContact CD1-CD1 3.28Å; L85-L116 HydrophobicContact CD2-CD1 4.34Å; L85-L116 HydrophobicContact CG-CD1 4.43Å; L85-Y120 HydrophobicContact CD2-CD1 4.33Å; L85-Y120 HydrophobicContact CD2-CD2 3.98Å; L85-Y120 HydrophobicContact CD2-CE2 4.38Å; L85-Y120 HydrophobicContact CD2-CG 3.96Å; L85-L122 HydrophobicContact CD2-CD1 4.12Å
86N92.6Very high91.7Very high87 Ų8761.9 Ų61.947%0.46530%0.3SS..Hα-helixtrans-63.1-38.8175.9-69.7-15.7000111.3R82 A83 Y84 Q89 Q90R82-N86 VanDerWaalsContact O-CG 3.22Å; R82-N86 PolarHBondContact O-N 3.28Å; R82-N86 PolarHBondContact O-ND2 2.93Å; A83-N86 PolarHBondContact O-N 3.11Å; Y84-N86 VanDerWaalsContact C-N 3.34Å; Y84-N86 PolarHBondContact O-N 3.19Å; N86-Q89 PolarHBondContact O-N 3.33Å; N86-Q90 WeakPolarHBondContact O-CG 3.2Å; N86-Q90 PolarHBondContact O-N 3.48Å; N86-Q90 VanDerWaalsContact O-N 3.13Å
87Q92Very high91.9Very high65 Ų6561.9 Ų61.930%0.30430%0.3SS..Hα-helixtrans-64.6-48.6174.8-172.7172.9000111.1A83 Y84 L85 Q89 Q90 D91A83-Q87 PolarHBondContact O-N 3.34Å; A83-Q87 VanDerWaalsContact O-N 3.1Å; Y84-Q87 WeakPolarHBondContact O-CB 3.35Å; Y84-Q87 PolarHBondContact O-N 3.43Å; L85-Q87 VanDerWaalsContact C-N 3.29Å; L85-Q87 PolarHBondContact O-N 3Å; Q87-Q89 PolarHBondContact O-N 3.39Å; Q87-Q90 WeakPolarHBondContact O-CB 3.4Å; Q87-Q90 PolarHBondContact O-N 2.9Å; Q87-Q90 VanDerWaalsContact O-N 3.13Å; Q87-D91 PolarHBondContact O-N 3Å
88M92Very high92Very high0 Ų059.7 Ų59.70%029%0.288CS..Hα-helixtrans-58.8-36.2175.4-68.7173.668.700112.7Y67 F69 Y84 L85 D91 S92 T93 A96 Y120 L122Y67-M88 HydrophobicContact CD2-CG 4.19Å; F69-M88 HydrophobicContact CE2-CG 3.95Å; F69-M88 HydrophobicContact CE2-SD 4.05Å; F69-M88 HydrophobicContact CZ-CG 4.06Å; Y84-M88 VanDerWaalsContact O-CG 3.3Å; Y84-M88 WeakPolarHBondContact O-CG 3.39Å; Y84-M88 PolarHBondContact O-N 3.13Å; L85-M88 PolarHBondContact O-N 2.94Å; M88-D91 CarbonylContact O-C 3.51Å; M88-D91 PolarHBondContact O-N 3.25Å; M88-S92 PolarHBondContact O-N 2.87Å; M88-S92 VanDerWaalsContact O-N 3.11Å; M88-T93 PolarHBondContact O-N 3.14Å; M88-A96 HydrophobicContact CE-CB 3.65Å; M88-A96 HydrophobicContact SD-CB 3.56Å; M88-A96 VanDerWaalsContact SD-CB 3.56Å; M88-Y120 HydrophobicContact CE-CD1 4.07Å; M88-L122 HydrophobicContact CE-CD2 4.11Å; M88-L122 HydrophobicContact SD-CD2 3.88Å
89Q91.3Very high92.2Very high99 Ų9956.4 Ų56.446%0.46327%0.272SS..Hα-helixtrans-65.8-39.5176.5-81.6175.1-5.800112.9L85 N86 Q87 D91 S92 Y120L85-Q89 WeakPolarHBondContact O-CB 3.17Å; L85-Q89 VanDerWaalsContact O-CG 3.27Å; L85-Q89 WeakPolarHBondContact O-CG 3.46Å; L85-Q89 PolarHBondContact O-N 3.17Å; N86-Q89 PolarHBondContact O-N 3.33Å; Q87-Q89 PolarHBondContact O-N 3.39Å; Q89-D91 VanDerWaalsContact C-N 3.26Å; Q89-D91 PolarHBondContact O-N 2.85Å; Q89-S92 PolarHBondContact O-N 3.48Å; Q89-Y120 HydrophobicContact CG-CE1 4.45Å; Q89-Y120 WeakPolarHBondContact CG-OH 3.45Å; Q89-Y120 PolarHBondContact NE2-OH 3.22Å
90Q91.8Very high92.3Very high154 Ų15448.7 Ų48.772%0.7224%0.238SC*.Hα-helixtrans-62-39.2177.2-72.3169.712.100111N86 Q87 S92N86-Q90 WeakPolarHBondContact O-CG 3.2Å; N86-Q90 PolarHBondContact O-N 3.48Å; N86-Q90 VanDerWaalsContact O-N 3.13Å; Q87-Q90 WeakPolarHBondContact O-CB 3.4Å; Q87-Q90 PolarHBondContact O-N 2.9Å; Q87-Q90 VanDerWaalsContact O-N 3.13Å; Q90-S92 VanDerWaalsContact C-N 3.33Å; Q90-S92 PolarHBondContact O-N 3.08Å
91D88.8Confident92.4Very high63 Ų6348.5 Ų48.534%0.33724%0.236SC..THydrogen-bonded Turntrans-93.212.5-179.3-56.3-37.9000113.3M65 Y67 Q87 M88 Q89 T93M65-D91 HydrophobicContact CE-CB 4.44Å; M65-D91 WeakPolarHBondContact CE-O 3.36Å; Y67-D91 HydrophobicContact CE2-CB 4.14Å; Y67-D91 PolarHBondContact OH-OD2 3.21Å; Q87-D91 PolarHBondContact O-N 3Å; M88-D91 CarbonylContact O-C 3.51Å; M88-D91 PolarHBondContact O-N 3.25Å; Q89-D91 VanDerWaalsContact C-N 3.26Å; Q89-D91 PolarHBondContact O-N 2.85Å; D91-T93 PolarHBondContact O-N 3.3Å; D91-T93 VanDerWaalsContact O-N 3.07Å; D91-T93 PolarHBondContact O-OG1 2.92Å
92S88Confident92.3Very high79 Ų7955.3 Ų55.355%0.55227%0.268SS*.THydrogen-bonded Turntrans51.134.5179.8-59.40000114.2M88 Q89 Q90 Y94M88-S92 PolarHBondContact O-N 2.87Å; M88-S92 VanDerWaalsContact O-N 3.11Å; Q89-S92 PolarHBondContact O-N 3.48Å; Q90-S92 VanDerWaalsContact C-N 3.33Å; Q90-S92 PolarHBondContact O-N 3.08Å; S92-Y94 VanDerWaalsContact O-CE2 3.3Å; S92-Y94 WeakPolarHBondContact O-CE2 3.36Å
93T89.3Confident92.2Very high2 Ų254.8 Ų54.81%0.01227%0.269CS..  trans-99.1140.7-178.5-56.30000111.7M65 Y67 M88 D91 R95M65-T93 HydrophobicContact CB-CG2 3.95Å; M65-T93 WeakPolarHBondContact CE-OG1 3.39Å; M65-T93 WeakPolarHBondContact O-CG2 3.35Å; Y67-T93 HydrophobicContact CD2-CG2 3.75Å; Y67-T93 HydrophobicContact CE2-CG2 4.33Å; M88-T93 PolarHBondContact O-N 3.14Å; D91-T93 PolarHBondContact O-N 3.3Å; D91-T93 VanDerWaalsContact O-N 3.07Å; D91-T93 PolarHBondContact O-OG1 2.92Å; T93-R95 WeakPolarHBondContact CG2-O 3.42Å
94Y90.3Very high92.1Very high140 Ų14052.3 Ų52.355%0.54925%0.249SC..  trans-113.2-7.9-177.2-57.1-80.4000114.1S92 Y120 T121S92-Y94 VanDerWaalsContact O-CE2 3.3Å; S92-Y94 WeakPolarHBondContact O-CE2 3.36Å; Y94-Y120 HydrophobicContact CD1-CD1 4.38Å; Y94-Y120 HydrophobicContact CD1-CE1 4.17Å; Y94-Y120 CarbonylContact O-C 3.44Å; Y94-Y120 WeakPolarHBondContact O-CA 3.45Å; Y94-T121 PolarHBondContact O-N 3.35Å
95R93Very high92.1Very high47 Ų4752.3 Ų52.318%0.17725%0.251CS..EExtended strand (participates in β ladder)trans-121.2133.2-176.7-57.7179.874173.8-5.5111Y25 D64 L66 Y67 T93 T121Y25-R95 PolarHBondContact OH-NE 3.1Å; Y25-R95 PolarHBondContact OH-NH1 3.02Å; D64-R95 WeakPolarHBondContact OD1-CD 3.37Å; D64-R95 IonicContact OD2-CZ 3.22Å; D64-R95 IonicContact OD2-NH1 3.78Å; D64-R95 PolarHBondContact OD2-NH1 2.88Å; L66-R95 HydrophobicContact CD1-CB 3.82Å; Y67-R95 PolarHBondContact N-O 2.86Å; Y67-R95 VanDerWaalsContact N-O 3.16Å; T93-R95 WeakPolarHBondContact CG2-O 3.42Å; R95-T121 WeakPolarHBondContact CA-O 3.46Å
96A95.2Very high92.2Very high1 Ų153 Ų531%0.00826%0.257CS..EExtended strand (participates in β ladder)trans-147.2151.1169.800000112.7Y67 F69 M88 T121 L122 E123Y67-A96 CarbonylContact O-C 3.59Å; Y67-A96 WeakPolarHBondContact O-CA 3.42Å; F69-A96 HydrophobicContact CD2-CB 4.03Å; F69-A96 HydrophobicContact CE2-CB 3.86Å; M88-A96 HydrophobicContact CE-CB 3.65Å; M88-A96 HydrophobicContact SD-CB 3.56Å; M88-A96 VanDerWaalsContact SD-CB 3.56Å; A96-T121 PolarHBondContact N-O 3.21Å; A96-L122 HydrophobicContact CB-CD2 3.77Å; A96-L122 WeakPolarHBondContact O-CA 3.39Å; A96-E123 PolarHBondContact O-N 3.39Å
97I95.9Very high92.2Very high1 Ų153.4 Ų53.41%0.00526%0.264CS..EExtended strand (participates in β ladder)trans-106.6129.1168.8-69.7165.9000108.3M19 L66 Y67 V68 F69 V99 E123 F125M19-I97 HydrophobicContact SD-CD1 4.26Å; L66-I97 HydrophobicContact CD1-CD1 4.31Å; L66-I97 HydrophobicContact CD1-CG1 4.18Å; L66-I97 HydrophobicContact CD2-CD1 3.92Å; L66-I97 HydrophobicContact CG-CD1 4.49Å; Y67-I97 PolarHBondContact O-N 3.35Å; V68-I97 WeakPolarHBondContact CA-O 3.47Å; V68-I97 HydrophobicContact CG1-CB 4.28Å; V68-I97 HydrophobicContact CG1-CG2 4.16Å; V68-I97 HydrophobicContact CG2-CB 4.3Å; V68-I97 HydrophobicContact CG2-CD1 4.49Å; F69-I97 PolarHBondContact N-O 3.2Å; I97-V99 HydrophobicContact CG2-CG2 4.2Å; I97-E123 CarbonylContact C-O 3.56Å; I97-E123 WeakPolarHBondContact CA-O 3.21Å; I97-E123 HydrophobicContact CG1-CB 4.13Å; I97-F125 HydrophobicContact CG1-CE2 4.42Å; I97-F125 HydrophobicContact CG2-CD2 3.76Å; I97-F125 HydrophobicContact CG2-CE2 4.26Å
98L95Very high92.2Very high3 Ų354.2 Ų54.22%0.01628%0.277CS..EExtended strand (participates in β ladder)trans-105.1117.4172.3-60.5179000109F69 Y84 L100 I113 E123 C124 F125F69-L98 HydrophobicContact CB-CD2 3.82Å; F69-L98 HydrophobicContact CD2-CD2 3.88Å; F69-L98 HydrophobicContact CG-CD2 4.25Å; Y84-L98 HydrophobicContact CD2-CD2 3.9Å; Y84-L98 HydrophobicContact CE2-CD2 4.25Å; L98-L100 HydrophobicContact CB-CD2 4.26Å; L98-L100 PolarHBondContact O-N 2.82Å; L98-I113 HydrophobicContact CD1-CD1 4.22Å; L98-E123 PolarHBondContact N-O 2.62Å; L98-C124 WeakPolarHBondContact O-CA 3.08Å; L98-F125 PolarHBondContact O-N 2.93Å
99V95.7Very high92.2Very high0 Ų054.2 Ų54.20%028%0.277CS..EExtended strand (participates in β ladder)trans-93.796.3177.3-177.50000109.5I12 I16 V68 F69 F70 P71 I97 F125 E127 L130I12-V99 HydrophobicContact CG2-CG1 4.03Å; I16-V99 HydrophobicContact CD1-CG2 3.49Å; I16-V99 VanDerWaalsContact CD1-CG2 3.49Å; V68-V99 HydrophobicContact CG1-CG2 3.95Å; F69-V99 PolarHBondContact O-N 2.7Å; F70-V99 HydrophobicContact CD1-CB 3.78Å; F70-V99 HydrophobicContact CD1-CG1 3.85Å; F70-V99 HydrophobicContact CD1-CG2 4.17Å; F70-V99 HydrophobicContact CE1-CB 3.92Å; F70-V99 HydrophobicContact CE1-CG1 3.81Å; F70-V99 HydrophobicContact CE1-CG2 3.88Å; F70-V99 HydrophobicContact CE2-CG2 4.41Å; F70-V99 HydrophobicContact CG-CB 4.29Å; F70-V99 HydrophobicContact CZ-CG2 4.02Å; P71-V99 WeakPolarHBondContact CD-O 3.41Å; I97-V99 HydrophobicContact CG2-CG2 4.2Å; V99-F125 CarbonylContact C-O 3.52Å; V99-E127 HydrophobicContact CG1-CG 3.88Å; V99-L130 HydrophobicContact CG1-CD1 3.98Å; V99-L130 HydrophobicContact CG2-CD1 4.05Å
100L94.4Very high92.3Very high5 Ų556.5 Ų56.53%0.02629%0.285CS..EExtended strand (participates in β ladder)trans-87.5144.4-172.8-54.9174.6000112.4P71 V76 L98 L105 C124 F125 F126 E127P71-L100 HydrophobicContact CG-CD2 4.42Å; V76-L100 HydrophobicContact CB-CD2 4.27Å; V76-L100 HydrophobicContact CG2-CD2 3.65Å; L98-L100 HydrophobicContact CB-CD2 4.26Å; L98-L100 PolarHBondContact O-N 2.82Å; L100-L105 HydrophobicContact CD1-CD1 3.86Å; L100-L105 HydrophobicContact CD1-CG 3.72Å; L100-L105 HydrophobicContact CD2-CD2 4.29Å; L100-L105 HydrophobicContact CD2-CG 4.19Å; L100-C124 HydrophobicContact CD1-CB 3.85Å; L100-F125 PolarHBondContact N-O 3.12Å; L100-F126 HydrophobicContact CB-CD1 4.3Å; L100-F126 CarbonylContact O-C 3.52Å; L100-F126 WeakPolarHBondContact O-CA 3.29Å; L100-E127 PolarHBondContact O-N 3.47Å
101Q93.3Very high92.3Very high18 Ų1853 Ų538%0.08427%0.274CS..  trans-76.1179.5167.8-67.1174.462.800111.7R49 P71 E72 E73 K103 G104 F126R49-Q101 VanDerWaalsContact NH2-CD 3.31Å; P71-Q101 PolarHBondContact O-NE2 2.77Å; E72-Q101 VanDerWaalsContact C-NE2 3.34Å; E72-Q101 PolarHBondContact O-NE2 2.83Å; E73-Q101 PolarHBondContact O-NE2 3.16Å; Q101-K103 VanDerWaalsContact C-N 3.32Å; Q101-K103 PolarHBondContact O-N 2.91Å; Q101-G104 PolarHBondContact O-N 2.97Å; Q101-F126 WeakPolarHBondContact O-CD1 3.38Å
102E90Very high92.3Very high148 Ų14850.8 Ų50.869%0.69227%0.265SS*.THydrogen-bonded Turntrans-56.6-36.6-170.9-59.5-169157.500114.8G104 N128E102-G104 VanDerWaalsContact C-N 3.27Å; E102-G104 PolarHBondContact O-N 2.81Å; E102-N128 PolarHBondContact OE1-ND2 2.94Å
103K89.9Confident92.5Very high133 Ų13348 Ų4858%0.57824%0.244SC*.THydrogen-bonded Turntrans-77.5-10.8-179.9-63.8-178.9-179.2162.60113.5E74 K75 Q101E74-K103 HydrophobicContact CB-CB 4.38Å; E74-K103 HydrophobicContact CB-CD 4.02Å; E74-K103 HydrophobicContact CB-CG 4.39Å; E74-K103 WeakPolarHBondContact O-CB 3.16Å; E74-K103 WeakPolarHBondContact OE2-CD 3.4Å; E74-K103 WeakPolarHBondContact OE2-CE 3.48Å; E74-K103 IonicContact OE2-NZ 2.64Å; E74-K103 PolarHBondContact OE2-NZ 3.07Å; K75-K103 HydrophobicContact CB-CB 3.92Å; K75-K103 HydrophobicContact CG-CB 4.35Å; Q101-K103 VanDerWaalsContact C-N 3.32Å; Q101-K103 PolarHBondContact O-N 2.91Å
104G91.7Very high92.5Very high3 Ų351 Ų513%0.03127%0.269CS..  trans62.6-144.4171.100000115.1E74 K75 V76 Q101 E102E74-G104 PolarHBondContact O-N 3.33Å; K75-G104 CarbonylContact C-O 3.56Å; K75-G104 VanDerWaalsContact CA-O 3.32Å; K75-G104 WeakPolarHBondContact CA-O 3.08Å; V76-G104 PolarHBondContact N-O 2.51Å; Q101-G104 PolarHBondContact O-N 2.97Å; E102-G104 VanDerWaalsContact C-N 3.27Å; E102-G104 PolarHBondContact O-N 2.81Å
105L92.9Very high92.5Very high38 Ų3851.2 Ų51.220%0.19928%0.275CS..BIsolated β-bridgetrans-92146.6-178.6-72.7157.7000112.1V76 V81 L100 A109 I113V76-L105 HydrophobicContact CB-CD2 3.89Å; V76-L105 HydrophobicContact CG1-CD2 3.95Å; V81-L105 HydrophobicContact CG2-CD2 4.3Å; L100-L105 HydrophobicContact CD1-CD1 3.86Å; L100-L105 HydrophobicContact CD1-CG 3.72Å; L100-L105 HydrophobicContact CD2-CD2 4.29Å; L100-L105 HydrophobicContact CD2-CG 4.19Å; L105-A109 HydrophobicContact CB-CB 4.46Å; L105-A109 HydrophobicContact CD2-CB 3.87Å; L105-I113 HydrophobicContact CD1-CD1 3.65Å; L105-I113 HydrophobicContact CD2-CD1 3.8Å; L105-I113 HydrophobicContact CG-CD1 4.4Å
106T93.5Very high92.3Very high28 Ų2851.5 Ų51.517%0.17228%0.279CS..  trans-64.4148.6162.757.10000110.8K75 V76 S108 A109 K110K75-T106 HydrophobicContact CD-CG2 4Å; K75-T106 HydrophobicContact CG-CG2 3.91Å; V76-T106 WeakPolarHBondContact O-CG2 3.38Å; V76-T106 PolarHBondContact O-N 3.28Å; V76-T106 PolarHBondContact O-OG1 2.72Å; T106-S108 PolarHBondContact O-N 3.13Å; T106-A109 PolarHBondContact O-N 3.27Å; T106-A109 VanDerWaalsContact OG1-CB 3.23Å; T106-A109 WeakPolarHBondContact OG1-CB 3.35Å; T106-A109 PolarHBondContact OG1-N 2.87Å; T106-K110 PolarHBondContact O-N 2.84Å
107P92.2Very high91.8Very high94 Ų9454.9 Ų54.961%0.6130%0.303SS*.Hα-helixtrans-53.6-39.9176.8-28.135.4000113K110 T111P107-K110 PolarHBondContact O-N 3.07Å; P107-T111 PolarHBondContact O-N 3.11Å; P107-T111 PolarHBondContact O-OG1 3.36Å
108S92.8Very high91.2Very high83 Ų8360.6 Ų60.658%0.5834%0.342SS*.Hα-helixtrans-62.9-41.2175.6-50.20000112.8T106 A112T106-S108 PolarHBondContact O-N 3.13Å; S108-A112 WeakPolarHBondContact O-CB 3.48Å; S108-A112 PolarHBondContact O-N 3.5Å
109A92.4Very high90.9Very high0 Ų068.1 Ų68.10%037%0.374CS..Hα-helixtrans-66.8-38.5175.200000111.7V81 L105 T106 A112 I113V81-A109 HydrophobicContact CG2-CB 4.18Å; L105-A109 HydrophobicContact CB-CB 4.46Å; L105-A109 HydrophobicContact CD2-CB 3.87Å; T106-A109 PolarHBondContact O-N 3.27Å; T106-A109 VanDerWaalsContact OG1-CB 3.23Å; T106-A109 WeakPolarHBondContact OG1-CB 3.35Å; T106-A109 PolarHBondContact OG1-N 2.87Å; A109-A112 PolarHBondContact O-N 3.26Å; A109-I113 VanDerWaalsContact O-CG1 3.29Å; A109-I113 WeakPolarHBondContact O-CG1 3.07Å; A109-I113 PolarHBondContact O-N 3.43Å
110K92Very high90.6Very high147 Ų14769.2 Ų69.264%0.63938%0.379SS*.Hα-helixtrans-62.5-44.8176.2-171.3178.7-179.7179.20111.9T106 P107 I113 A114T106-K110 PolarHBondContact O-N 2.84Å; P107-K110 PolarHBondContact O-N 3.07Å; K110-I113 PolarHBondContact O-N 3.41Å; K110-A114 PolarHBondContact O-N 3.43Å; K110-A114 VanDerWaalsContact O-N 3.11Å
111T92.1Very high90.5Very high79 Ų7970.4 Ų70.449%0.48539%0.386SS..Hα-helixtrans-62.3-44.8174.9-560000111.2P107 I113 A114 E115P107-T111 PolarHBondContact O-N 3.11Å; P107-T111 PolarHBondContact O-OG1 3.36Å; T111-I113 PolarHBondContact O-N 2.91Å; T111-A114 WeakPolarHBondContact O-CB 3.48Å; T111-A114 PolarHBondContact O-N 3.44Å; T111-A114 VanDerWaalsContact O-N 3.13Å; T111-E115 WeakPolarHBondContact O-CG 3.48Å; T111-E115 PolarHBondContact O-N 3.07Å
112A90Very high90.4Very high17 Ų1770.8 Ų70.814%0.1439%0.389CS..Hα-helixtrans-60.7-42.417800000112.4S108 A109 A114 E115 L116S108-A112 WeakPolarHBondContact O-CB 3.48Å; S108-A112 PolarHBondContact O-N 3.5Å; A109-A112 PolarHBondContact O-N 3.26Å; A112-A114 VanDerWaalsContact C-N 3.3Å; A112-A114 PolarHBondContact O-N 3.01Å; A112-E115 PolarHBondContact O-N 3.38Å; A112-L116 WeakPolarHBondContact O-CB 3.47Å; A112-L116 WeakPolarHBondContact O-CD1 3.41Å; A112-L116 WeakPolarHBondContact O-CG 3.49Å; A112-L116 PolarHBondContact O-N 3.42Å
113I91.1Very high90.6Very high22 Ų2265.1 Ų65.111%0.11336%0.362CS..Hα-helixtrans-61.5-40.8175.8-70.7166.6000111V81 L98 L105 A109 K110 T111 L116 S117 L122V81-I113 HydrophobicContact CG1-CG1 4.15Å; V81-I113 HydrophobicContact CG2-CD1 4.45Å; L98-I113 HydrophobicContact CD1-CD1 4.22Å; L105-I113 HydrophobicContact CD1-CD1 3.65Å; L105-I113 HydrophobicContact CD2-CD1 3.8Å; L105-I113 HydrophobicContact CG-CD1 4.4Å; A109-I113 VanDerWaalsContact O-CG1 3.29Å; A109-I113 WeakPolarHBondContact O-CG1 3.07Å; A109-I113 PolarHBondContact O-N 3.43Å; K110-I113 PolarHBondContact O-N 3.41Å; T111-I113 PolarHBondContact O-N 2.91Å; I113-L116 PolarHBondContact O-N 2.72Å; I113-S117 PolarHBondContact O-N 2.86Å; I113-S117 VanDerWaalsContact O-N 3.09Å; I113-L122 HydrophobicContact CG1-CD1 3.96Å; I113-L122 HydrophobicContact CG2-CB 3.99Å; I113-L122 HydrophobicContact CG2-CD1 4.29Å
114A89.5Confident90.8Very high65 Ų6560.3 Ų60.354%0.53735%0.345SS..Hα-helixtrans-66.9-37.1177.500000112.7K110 T111 A112 L116 S117K110-A114 PolarHBondContact O-N 3.43Å; K110-A114 VanDerWaalsContact O-N 3.11Å; T111-A114 WeakPolarHBondContact O-CB 3.48Å; T111-A114 PolarHBondContact O-N 3.44Å; T111-A114 VanDerWaalsContact O-N 3.13Å; A112-A114 VanDerWaalsContact C-N 3.3Å; A112-A114 PolarHBondContact O-N 3.01Å; A114-L116 VanDerWaalsContact C-N 3.33Å; A114-S117 PolarHBondContact O-N 3.39Å; A114-S117 PolarHBondContact O-OG 3.11Å
115E89.9Confident91Very high144 Ų14460.7 Ų60.767%0.67335%0.345SS*.Hα-helixtrans-68.6-34.8174.7-71.4172.8-177.700112.1T111 A112 S117T111-E115 WeakPolarHBondContact O-CG 3.48Å; T111-E115 PolarHBondContact O-N 3.07Å; A112-E115 PolarHBondContact O-N 3.38Å; E115-S117 VanDerWaalsContact C-N 3.31Å
116L88.7Confident91.1Very high52 Ų5262.8 Ų62.827%0.27235%0.353SS..Hα-helixtrans-80.3-10.8-179.7-68.1168.7000113.6L85 A112 I113 A114 C118 K119 Y120L85-L116 HydrophobicContact CD1-CD1 3.28Å; L85-L116 HydrophobicContact CD2-CD1 4.34Å; L85-L116 HydrophobicContact CG-CD1 4.43Å; A112-L116 WeakPolarHBondContact O-CB 3.47Å; A112-L116 WeakPolarHBondContact O-CD1 3.41Å; A112-L116 WeakPolarHBondContact O-CG 3.49Å; A112-L116 PolarHBondContact O-N 3.42Å; I113-L116 PolarHBondContact O-N 2.72Å; A114-L116 VanDerWaalsContact C-N 3.33Å; L116-C118 PolarHBondContact O-N 3Å; L116-K119 PolarHBondContact O-N 3.11Å; L116-Y120 PolarHBondContact O-N 3.28Å
117S85.2Confident91.1Very high73 Ų7361.6 Ų61.651%0.5135%0.346SS..THydrogen-bonded Turntrans-60.6-17.1-176.573.80000113.8I113 A114 E115 K119 Y120I113-S117 PolarHBondContact O-N 2.86Å; I113-S117 VanDerWaalsContact O-N 3.09Å; A114-S117 PolarHBondContact O-N 3.39Å; A114-S117 PolarHBondContact O-OG 3.11Å; E115-S117 VanDerWaalsContact C-N 3.31Å; S117-K119 VanDerWaalsContact C-N 3.33Å; S117-Y120 VanDerWaalsContact CA-O 3.27Å; S117-Y120 WeakPolarHBondContact CA-O 3.36Å
118C83.6Confident91.1Very high121 Ų12161.5 Ų61.582%0.81834%0.34SS*.THydrogen-bonded Turntrans-68.7-29.2174.2-64.30000113.3L116L116-C118 PolarHBondContact O-N 3Å
119K88Confident91.1Very high160 Ų16061.2 Ų61.270%0.69633%0.33SS*.THydrogen-bonded Turntrans-113.5-39.7-177.4-68.3-175.1178.7-177.20112.8L116 S117L116-K119 PolarHBondContact O-N 3.11Å; S117-K119 VanDerWaalsContact C-N 3.33Å
120Y89.8Confident91.2Very high24 Ų2461.4 Ų61.49%0.09433%0.331CS..  trans-116.1140.7-176.3-60.7-81000110L85 M88 Q89 Y94 L116 S117L85-Y120 HydrophobicContact CD2-CD1 4.33Å; L85-Y120 HydrophobicContact CD2-CD2 3.98Å; L85-Y120 HydrophobicContact CD2-CE2 4.38Å; L85-Y120 HydrophobicContact CD2-CG 3.96Å; M88-Y120 HydrophobicContact CE-CD1 4.07Å; Q89-Y120 HydrophobicContact CG-CE1 4.45Å; Q89-Y120 WeakPolarHBondContact CG-OH 3.45Å; Q89-Y120 PolarHBondContact NE2-OH 3.22Å; Y94-Y120 HydrophobicContact CD1-CD1 4.38Å; Y94-Y120 HydrophobicContact CD1-CE1 4.17Å; Y94-Y120 CarbonylContact O-C 3.44Å; Y94-Y120 WeakPolarHBondContact O-CA 3.45Å; L116-Y120 PolarHBondContact O-N 3.28Å; S117-Y120 VanDerWaalsContact CA-O 3.27Å; S117-Y120 WeakPolarHBondContact CA-O 3.36Å
121T91.5Very high91.3Very high29 Ų2956.8 Ų56.818%0.17831%0.312CS..EExtended strand (participates in β ladder)trans-101.896.9172.6-520000108.3Y94 R95 A96 E123 R181Y94-T121 PolarHBondContact O-N 3.35Å; R95-T121 WeakPolarHBondContact CA-O 3.46Å; A96-T121 PolarHBondContact N-O 3.21Å; T121-E123 HydrophobicContact CG2-CG 4.43Å; T121-R181 PolarHBondContact OG1-NH2 3.35Å
122L92.5Very high91.4Very high27 Ų2757.8 Ų57.814%0.14132%0.318CS..EExtended strand (participates in β ladder)trans-102.7111.1177.1-61.9179.9000109.2L85 M88 A96 I113L85-L122 HydrophobicContact CD2-CD1 4.12Å; M88-L122 HydrophobicContact CE-CD2 4.11Å; M88-L122 HydrophobicContact SD-CD2 3.88Å; A96-L122 HydrophobicContact CB-CD2 3.77Å; A96-L122 WeakPolarHBondContact O-CA 3.39Å; I113-L122 HydrophobicContact CG1-CD1 3.96Å; I113-L122 HydrophobicContact CG2-CB 3.99Å; I113-L122 HydrophobicContact CG2-CD1 4.29Å
123E93.6Very high91.5Very high28 Ų2857.6 Ų57.613%0.13131%0.314CS..EExtended strand (participates in β ladder)trans-96.9136.6175.3-65.1176.4-145.300109.2R23 A96 I97 L98 T121 F125R23-E123 IonicContact CZ-OE1 2.87Å; R23-E123 IonicContact CZ-OE2 3.39Å; R23-E123 VanDerWaalsContact NH1-CD 3.26Å; R23-E123 IonicContact NH1-OE1 3.67Å; R23-E123 PolarHBondContact NH1-OE1 2.89Å; R23-E123 IonicContact NH1-OE2 3.93Å; R23-E123 PolarHBondContact NH1-OE2 3.37Å; R23-E123 IonicContact NH2-OE2 2.62Å; R23-E123 PolarHBondContact NH2-OE2 3.43Å; A96-E123 PolarHBondContact O-N 3.39Å; I97-E123 CarbonylContact C-O 3.56Å; I97-E123 WeakPolarHBondContact CA-O 3.21Å; I97-E123 HydrophobicContact CG1-CB 4.13Å; L98-E123 PolarHBondContact N-O 2.62Å; T121-E123 HydrophobicContact CG2-CG 4.43Å; E123-F125 HydrophobicContact CB-CE2 4.11Å
124C93.6Very high91.7Very high32 Ų3259.3 Ų59.322%0.21632%0.323CS..EExtended strand (participates in β ladder)trans-114.9135.1179.5-62.30000108.9L98 L100 R176L98-C124 WeakPolarHBondContact O-CA 3.08Å; L100-C124 HydrophobicContact CD1-CB 3.85Å; C124-R176 PolarHBondContact O-NH2 3Å
125F96Very high91.9Very high11 Ų1157.6 Ų57.65%0.04831%0.306CS..EExtended strand (participates in β ladder)trans-131.9145.1173.2-71.3-86.1000109.6M19 I97 L98 V99 L100 E123 L130 R176M19-F125 HydrophobicContact CE-CE1 4.15Å; M19-F125 HydrophobicContact CE-CE2 4.44Å; M19-F125 HydrophobicContact CE-CZ 4.03Å; M19-F125 HydrophobicContact SD-CE2 4.27Å; M19-F125 HydrophobicContact SD-CZ 4.14Å; I97-F125 HydrophobicContact CG1-CE2 4.42Å; I97-F125 HydrophobicContact CG2-CD2 3.76Å; I97-F125 HydrophobicContact CG2-CE2 4.26Å; L98-F125 PolarHBondContact O-N 2.93Å; V99-F125 CarbonylContact C-O 3.52Å; L100-F125 PolarHBondContact N-O 3.12Å; E123-F125 HydrophobicContact CB-CE2 4.11Å; F125-L130 HydrophobicContact CB-CD1 3.67Å; F125-L130 HydrophobicContact CB-CD2 4.22Å; F125-L130 HydrophobicContact CB-CG 3.95Å; F125-L130 HydrophobicContact CD1-CD2 4.07Å; F125-L130 HydrophobicContact CG-CD1 4.36Å; F125-L130 HydrophobicContact CG-CD2 4.17Å; F125-L130 HydrophobicContact CG-CG 4.44Å; F125-R176 HydrophobicContact CE1-CB 4.09Å; F125-R176 HydrophobicContact CZ-CB 4.27Å; F125-R176 WeakPolarHBondContact CZ-O 3.4Å
126F94.7Very high92.1Very high82 Ų8256.4 Ų56.436%0.3630%0.3SS..EExtended strand (participates in β ladder)trans-84.1145.8170-69.4-83.6000110.3L100 Q101 N128 E129 L130L100-F126 HydrophobicContact CB-CD1 4.3Å; L100-F126 CarbonylContact O-C 3.52Å; L100-F126 WeakPolarHBondContact O-CA 3.29Å; Q101-F126 WeakPolarHBondContact O-CD1 3.38Å; F126-N128 PolarHBondContact O-N 3.08Å; F126-E129 HydrophobicContact CB-CB 4.49Å; F126-E129 HydrophobicContact CB-CG 4.05Å; F126-E129 PolarHBondContact N-OE2 3.28Å; F126-E129 WeakPolarHBondContact O-CB 3.48Å; F126-E129 PolarHBondContact O-N 2.89Å; F126-L130 PolarHBondContact O-N 3.46Å
127E93.9Very high92.4Very high4 Ų458.9 Ų58.92%0.01931%0.31CS..Hα-helixtrans-51.3-41.6173.9-74.2-174.6172.300111.6K8 I12 R49 V99 L100 E129 L130 M131K8-E127 WeakPolarHBondContact CE-OE2 3.46Å; K8-E127 IonicContact NZ-OE2 2.76Å; K8-E127 PolarHBondContact NZ-OE2 3.28Å; I12-E127 HydrophobicContact CD1-CB 3.61Å; I12-E127 HydrophobicContact CD1-CG 3.85Å; R49-E127 IonicContact CZ-OE1 3.43Å; R49-E127 IonicContact NE-OE1 3.57Å; R49-E127 PolarHBondContact NE-OE1 3.41Å; R49-E127 IonicContact NH2-OE1 3.13Å; R49-E127 PolarHBondContact NH2-OE1 3.48Å; R49-E127 IonicContact NH2-OE2 2.71Å; V99-E127 HydrophobicContact CG1-CG 3.88Å; L100-E127 PolarHBondContact O-N 3.47Å; E127-E129 VanDerWaalsContact C-N 3.3Å; E127-E129 PolarHBondContact O-N 3.13Å; E127-L130 PolarHBondContact O-N 3.4Å; E127-L130 VanDerWaalsContact O-N 3.1Å; E127-M131 WeakPolarHBondContact O-CG 3.46Å; E127-M131 PolarHBondContact O-N 2.83Å
128N92.7Very high92.7Very high92 Ų9264.5 Ų64.549%0.49233%0.329SS..Hα-helixtrans-67.1-28.9-179.9-63.6-5.9000112.6K8 E102 F126 L130K8-N128 PolarHBondContact NZ-OD1 3.35Å; E102-N128 PolarHBondContact OE1-ND2 2.94Å; F126-N128 PolarHBondContact O-N 3.08Å; N128-L130 VanDerWaalsContact C-N 3.31Å
129E93.2Very high93.2Very high77 Ų7765.8 Ų65.836%0.3633%0.326SS..Hα-helixtrans-70.4-28.3173.9-68.3176.4152.300111.8F126 E127 R176F126-E129 HydrophobicContact CB-CB 4.49Å; F126-E129 HydrophobicContact CB-CG 4.05Å; F126-E129 PolarHBondContact N-OE2 3.28Å; F126-E129 WeakPolarHBondContact O-CB 3.48Å; F126-E129 PolarHBondContact O-N 2.89Å; E127-E129 VanDerWaalsContact C-N 3.3Å; E127-E129 PolarHBondContact O-N 3.13Å; E129-R176 IonicContact OE1-CZ 3.21Å; E129-R176 IonicContact OE1-NH1 2.82Å; E129-R176 PolarHBondContact OE1-NH1 2.9Å; E129-R176 IonicContact OE1-NH2 2.7Å; E129-R176 IonicContact OE2-CZ 3.99Å; E129-R176 IonicContact OE2-NH1 2.81Å; E129-R176 PolarHBondContact OE2-NH1 2.92Å; E129-R176 IonicContact OE2-NH2 3.4Å; E129-R176 PolarHBondContact OE2-NH2 2.96Å
130L94.8Very high93.5Very high4 Ų460 Ų602%0.02131%0.305CS..Hα-helixtrans-96.5-5.4-173.8-63.8174.7000114I12 T15 I16 M19 V99 F125 F126 E127 N128 V132I12-L130 HydrophobicContact CB-CB 4.39Å; I12-L130 HydrophobicContact CG1-CB 4.14Å; I12-L130 HydrophobicContact CG2-CB 3.89Å; I12-L130 HydrophobicContact CG2-CD1 3.95Å; T15-L130 WeakPolarHBondContact CB-O 3.36Å; T15-L130 HydrophobicContact CG2-CD2 4.31Å; T15-L130 WeakPolarHBondContact CG2-O 3.18Å; T15-L130 PolarHBondContact OG1-O 2.78Å; I16-L130 HydrophobicContact CD1-CD1 3.85Å; I16-L130 HydrophobicContact CG1-CD1 3.86Å; I16-L130 HydrophobicContact CG1-CD2 4.43Å; M19-L130 HydrophobicContact CE-CD2 3.67Å; V99-L130 HydrophobicContact CG1-CD1 3.98Å; V99-L130 HydrophobicContact CG2-CD1 4.05Å; F125-L130 HydrophobicContact CB-CD1 3.67Å; F125-L130 HydrophobicContact CB-CD2 4.22Å; F125-L130 HydrophobicContact CB-CG 3.95Å; F125-L130 HydrophobicContact CD1-CD2 4.07Å; F125-L130 HydrophobicContact CG-CD1 4.36Å; F125-L130 HydrophobicContact CG-CD2 4.17Å; F125-L130 HydrophobicContact CG-CG 4.44Å; F126-L130 PolarHBondContact O-N 3.46Å; E127-L130 PolarHBondContact O-N 3.4Å; E127-L130 VanDerWaalsContact O-N 3.1Å; N128-L130 VanDerWaalsContact C-N 3.31Å; L130-V132 PolarHBondContact O-N 3.29Å
131M93.1Very high93.8Very high49 Ų4960.3 Ų60.324%0.24131%0.31CS..SBendtrans-63.9-28.2176.8-80.9-61.6-74.100113.5K8 R11 I12 E127K8-M131 HydrophobicContact CB-CE 4.32Å; K8-M131 HydrophobicContact CB-SD 4.08Å; K8-M131 HydrophobicContact CG-CE 3.86Å; K8-M131 HydrophobicContact CG-CG 4.25Å; K8-M131 HydrophobicContact CG-SD 3.28Å; K8-M131 WeakPolarHBondContact CG-SD 3.42Å; R11-M131 HydrophobicContact CB-CE 4.45Å; R11-M131 HydrophobicContact CB-SD 4.14Å; I12-M131 HydrophobicContact CD1-CG 4.49Å; I12-M131 HydrophobicContact CD1-SD 4.1Å; I12-M131 HydrophobicContact CG1-CG 4.29Å; I12-M131 HydrophobicContact CG1-SD 3.83Å; E127-M131 WeakPolarHBondContact O-CG 3.46Å; E127-M131 PolarHBondContact O-N 2.83Å
132V93.3Very high94Very high101 Ų10164.7 Ų64.761%0.61233%0.328SS*.SBendtrans-127.4124.3178.1-178.50000108.3L130 I134L130-V132 PolarHBondContact O-N 3.29Å; V132-I134 PolarHBondContact O-N 2.78Å; V132-I134 VanDerWaalsContact O-N 3.11Å
133N93.9Very high94.1Very high13 Ų1364.1 Ų64.17%0.0732%0.324CS..  trans-72.4106.1172.6-172.36.4000109.9T15 T135 E136 Y177T15-N133 HydrophobicContact CG2-CB 4.01Å; N133-T135 PolarHBondContact ND2-OG1 3.33Å; N133-T135 VanDerWaalsContact ND2-OG1 3.12Å; N133-T135 PolarHBondContact O-N 3.45Å; N133-T135 PolarHBondContact OD1-N 3.46Å; N133-T135 PolarHBondContact OD1-OG1 3.04Å; N133-E136 HydrophobicContact CB-CG 4.31Å; N133-E136 PolarHBondContact ND2-OE1 3.06Å; N133-E136 PolarHBondContact O-N 3.05Å; N133-Y177 PolarHBondContact ND2-OH 3.04Å; N133-Y177 WeakPolarHBondContact OD1-CE2 3.34Å
134I94.2Very high94.2Very high58 Ų5865.6 Ų65.630%0.29733%0.333SS..G310 helixtrans-61.5-26.2-178.560.6172.4000113V132 E136 H137 V140 P173 V174 Y177V132-I134 PolarHBondContact O-N 2.78Å; V132-I134 VanDerWaalsContact O-N 3.11Å; I134-E136 PolarHBondContact O-N 3.01Å; I134-H137 WeakPolarHBondContact O-CB 3.28Å; I134-H137 PolarHBondContact O-N 2.9Å; I134-V140 WeakPolarHBondContact O-CB 3.35Å; I134-V140 VanDerWaalsContact O-CG2 3.29Å; I134-V140 WeakPolarHBondContact O-CG2 3.46Å; I134-P173 HydrophobicContact CD1-CB 3.48Å; I134-P173 VanDerWaalsContact CD1-CB 3.48Å; I134-V174 HydrophobicContact CD1-CG2 4.23Å; I134-Y177 HydrophobicContact CG1-CD2 4.5Å
135T93.8Very high94.3Very high29 Ų2966.7 Ų66.718%0.17834%0.339CS..G310 helixtrans-72.7-17.7-178.463.10000113.1N133 H137 Y177 Y178N133-T135 PolarHBondContact ND2-OG1 3.33Å; N133-T135 VanDerWaalsContact ND2-OG1 3.12Å; N133-T135 PolarHBondContact O-N 3.45Å; N133-T135 PolarHBondContact OD1-N 3.46Å; N133-T135 PolarHBondContact OD1-OG1 3.04Å; T135-H137 VanDerWaalsContact C-N 3.32Å; T135-Y177 HydrophobicContact CG2-CD1 3.61Å; T135-Y177 HydrophobicContact CG2-CD2 4.07Å; T135-Y177 HydrophobicContact CG2-CE1 3.54Å; T135-Y177 HydrophobicContact CG2-CE2 4Å; T135-Y177 HydrophobicContact CG2-CG 3.88Å; T135-Y178 HydrophobicContact CG2-CE2 4.46Å
136E93.3Very high94.3Very high118 Ų11867.1 Ų67.155%0.55134%0.341SS*.G310 helixtrans-87.1-4.7177.5-70.4170.9-150.500112.8K18 N133 I134K18-E136 WeakPolarHBondContact CD-OE1 3.31Å; K18-E136 WeakPolarHBondContact CE-OE1 3.24Å; K18-E136 IonicContact NZ-OE1 3.89Å; K18-E136 PolarHBondContact NZ-OE1 3.47Å; K18-E136 IonicContact NZ-OE2 2.69Å; K18-E136 PolarHBondContact NZ-OE2 2.84Å; N133-E136 HydrophobicContact CB-CG 4.31Å; N133-E136 PolarHBondContact ND2-OE1 3.06Å; N133-E136 PolarHBondContact O-N 3.05Å; I134-E136 PolarHBondContact O-N 3.01Å
137H94.9Very high94.3Very high104 Ų10466.7 Ų66.748%0.48135%0.346SS..SBendtrans-73.3135.7-179.5-171.6-88000111.3I134 T135 L139 V140I134-H137 WeakPolarHBondContact O-CB 3.28Å; I134-H137 PolarHBondContact O-N 2.9Å; T135-H137 VanDerWaalsContact C-N 3.32Å; H137-L139 WeakPolarHBondContact ND1-CB 3.47Å; H137-L139 PolarHBondContact ND1-N 2.88Å; H137-L139 VanDerWaalsContact ND1-N 3.1Å; H137-L139 PolarHBondContact O-N 2.87Å; H137-L139 VanDerWaalsContact O-N 3.11Å; H137-V140 HydrophobicContact CB-CB 4.4Å; H137-V140 HydrophobicContact CB-CG2 4.01Å; H137-V140 PolarHBondContact O-N 2.91Å
138Q93.3Very high94.3Very high192 Ų19272.8 Ų72.890%0.89737%0.374SS*.THydrogen-bonded Turntrans-56.1-34-176.3-175.6-178.1100114.1V140Q138-V140 VanDerWaalsContact C-N 3.3Å
139L93.9Very high94.4Very high147 Ų14776.2 Ų76.277%0.7739%0.387SS*.THydrogen-bonded Turntrans-79.2-9.8177.6-58.7179.3000113.9H137 P141H137-L139 WeakPolarHBondContact ND1-CB 3.47Å; H137-L139 PolarHBondContact ND1-N 2.88Å; H137-L139 VanDerWaalsContact ND1-N 3.1Å; H137-L139 PolarHBondContact O-N 2.87Å; H137-L139 VanDerWaalsContact O-N 3.11Å; L139-P141 WeakPolarHBondContact O-CD 3.37Å
140V94.5Very high94.6Very high40 Ų4076.5 Ų76.524%0.24239%0.389CS..SBendtrans-93.5113.5178.9178.20000108.4I134 H137 Q138 V174I134-V140 WeakPolarHBondContact O-CB 3.35Å; I134-V140 VanDerWaalsContact O-CG2 3.29Å; I134-V140 WeakPolarHBondContact O-CG2 3.46Å; H137-V140 HydrophobicContact CB-CB 4.4Å; H137-V140 HydrophobicContact CB-CG2 4.01Å; H137-V140 PolarHBondContact O-N 2.91Å; Q138-V140 VanDerWaalsContact C-N 3.3Å; V140-V174 HydrophobicContact CG1-CG2 4.24Å
141P95.6Very high94.7Very high30 Ų3077.2 Ų77.220%0.19539%0.392CS..  trans-72.4168.8178.830.4-35.2000111.8L139 H143 I188 T189 R190L139-P141 WeakPolarHBondContact O-CD 3.37Å; P141-H143 PolarHBondContact O-CE1 3.46Å; P141-H143 VanDerWaalsContact O-CE1 3.28Å; P141-H143 PolarHBondContact O-ND1 3.33Å; P141-I188 HydrophobicContact CB-CG2 3.81Å; P141-I188 HydrophobicContact CG-CG2 3.44Å; P141-I188 VanDerWaalsContact CG-CG2 3.44Å; P141-T189 WeakPolarHBondContact CB-O 3.05Å; P141-R190 HydrophobicContact CB-CG 3.72Å; P141-R190 HydrophobicContact CG-CG 4.15Å
142Q94.4Very high94.8Very high120 Ų12081 Ų8156%0.56141%0.407SS*.EExtended strand (participates in β ladder)trans-72.1131.9175.8-170.7179.310.400110.7I188 T189Q142-I188 WeakPolarHBondContact O-CA 3.32Å; Q142-T189 PolarHBondContact N-O 3.17Å; Q142-T189 PolarHBondContact O-N 2.95Å
143H96.4Very high95Very high15 Ų1582 Ų827%0.06940%0.404CS..EExtended strand (participates in β ladder)trans-116.3124.1178.9-68.780.5000109.5P141 V174 Y178 V186 R187P141-H143 PolarHBondContact O-CE1 3.46Å; P141-H143 VanDerWaalsContact O-CE1 3.28Å; P141-H143 PolarHBondContact O-ND1 3.33Å; H143-V174 HydrophobicContact CB-CG1 4.25Å; H143-Y178 HydrophobicContact CB-CD2 4.36Å; H143-Y178 HydrophobicContact CB-CE2 3.67Å; H143-Y178 PolarHBondContact O-OH 2.95Å; H143-V186 HydrophobicContact CB-CG2 3.74Å; H143-R187 WeakPolarHBondContact CA-O 3.45Å
144N95.1Very high95.1Very high60 Ų6081.9 Ų81.932%0.32140%0.404SS..EExtended strand (participates in β ladder)trans-119.7123.7175.1-61.6-28.5000108.5V186 R187N144-V186 WeakPolarHBondContact O-CA 3.42Å; N144-V186 WeakPolarHBondContact O-CG2 3.38Å; N144-R187 PolarHBondContact N-O 3.13Å; N144-R187 PolarHBondContact O-N 2.96Å
145V95.4Very high95.2Very high54 Ų5480.4 Ų80.433%0.32740%0.397SS..EExtended strand (participates in β ladder)trans-74.2127.9178.2-169.60000108.6Y178 L180V145-Y178 HydrophobicContact CG2-CD1 4.17Å; V145-Y178 HydrophobicContact CG2-CG 4.3Å; V145-L180 HydrophobicContact CB-CD2 4.33Å; V145-L180 HydrophobicContact CG1-CD2 3.82Å; V145-L180 HydrophobicContact CG2-CD2 3.54Å
146L95.4Very high95.3Very high20 Ų2084.9 Ų84.911%0.10542%0.416CS..PPolyproline II helixtrans-81.4142178.6-63.4-172.4000111.2E150 L154 V185 R187 Y201L146-E150 VanDerWaalsContact CA-OE2 3.28Å; L146-E150 WeakPolarHBondContact CA-OE2 3.33Å; L146-E150 HydrophobicContact CB-CB 4.07Å; L146-E150 HydrophobicContact CD2-CB 4.17Å; L146-E150 HydrophobicContact CG-CB 4.49Å; L146-L154 HydrophobicContact CD1-CD2 4Å; L146-V185 WeakPolarHBondContact CB-O 3.28Å; L146-V185 HydrophobicContact CD1-CB 4.29Å; L146-V185 HydrophobicContact CD1-CG1 3.84Å; L146-V185 HydrophobicContact CG-CG1 4.5Å; L146-V185 PolarHBondContact N-O 2.87Å; L146-R187 HydrophobicContact CD2-CB 3.86Å; L146-R187 HydrophobicContact CG-CB 4.31Å; L146-Y201 HydrophobicContact CD1-CD1 3.95Å; L146-Y201 HydrophobicContact CD1-CE1 4.03Å
147T94.4Very high95.5Very high74 Ų7487.8 Ų87.845%0.45442%0.421SS..PPolyproline II helixtrans-67.2166.1166.873.70000110.6E149 E150 K151T147-E149 PolarHBondContact O-N 3.04Å; T147-E149 PolarHBondContact OG1-N 2.94Å; T147-E150 PolarHBondContact N-OE2 3.14Å; T147-E150 PolarHBondContact O-N 3.26Å; T147-E150 WeakPolarHBondContact OG1-CG 3.42Å; T147-E150 PolarHBondContact OG1-N 3.26Å; T147-E150 VanDerWaalsContact OG1-N 3.14Å; T147-K151 VanDerWaalsContact O-CB 3.31Å; T147-K151 WeakPolarHBondContact O-CB 3.03Å; T147-K151 PolarHBondContact O-N 3.24Å
148Q94.3Very high95.5Very high132 Ų13288.6 Ų88.662%0.61742%0.421SS*.Hα-helixtrans-63-32.1176-64.3-63-13.600112.1K152Q148-K152 WeakPolarHBondContact O-CB 3.16Å; Q148-K152 PolarHBondContact O-N 2.65Å
149E96.1Very high95.6Very high163 Ų16390.4 Ų90.476%0.76242%0.42SS*.Hα-helixtrans-69.4-49177.1-62-178.3173.700111.1T147 K151 K152 E153T147-E149 PolarHBondContact O-N 3.04Å; T147-E149 PolarHBondContact OG1-N 2.94Å; E149-K151 VanDerWaalsContact C-N 3.29Å; E149-K151 PolarHBondContact O-N 2.83Å; E149-K152 WeakPolarHBondContact O-CB 3.03Å; E149-K152 PolarHBondContact O-N 3.48Å; E149-K152 VanDerWaalsContact O-N 3.1Å; E149-E153 PolarHBondContact O-N 3.14Å
150E96.4Very high95.7Very high84 Ų8486.3 Ų86.339%0.39340%0.398SS..Hα-helixtrans-61.5-38.6175.8-70177.6132.500111.9L146 T147 K152 E153 L154L146-E150 VanDerWaalsContact CA-OE2 3.28Å; L146-E150 WeakPolarHBondContact CA-OE2 3.33Å; L146-E150 HydrophobicContact CB-CB 4.07Å; L146-E150 HydrophobicContact CD2-CB 4.17Å; L146-E150 HydrophobicContact CG-CB 4.49Å; T147-E150 PolarHBondContact N-OE2 3.14Å; T147-E150 PolarHBondContact O-N 3.26Å; T147-E150 WeakPolarHBondContact OG1-CG 3.42Å; T147-E150 PolarHBondContact OG1-N 3.26Å; T147-E150 VanDerWaalsContact OG1-N 3.14Å; E150-K152 VanDerWaalsContact C-N 3.35Å; E150-E153 PolarHBondContact O-N 3.07Å; E150-L154 WeakPolarHBondContact O-CB 3.11Å; E150-L154 PolarHBondContact O-N 3.34Å
151K96.2Very high95.7Very high18 Ų1891.5 Ų91.58%0.07842%0.418CS..Hα-helixtrans-61.1-44173.8176.5-176171.1-1710111.1T147 E149 L154 L155 E162 G183 V185T147-K151 VanDerWaalsContact O-CB 3.31Å; T147-K151 WeakPolarHBondContact O-CB 3.03Å; T147-K151 PolarHBondContact O-N 3.24Å; E149-K151 VanDerWaalsContact C-N 3.29Å; E149-K151 PolarHBondContact O-N 2.83Å; K151-L154 WeakPolarHBondContact O-CB 3.29Å; K151-L154 PolarHBondContact O-N 2.69Å; K151-L155 HydrophobicContact CG-CD1 4.29Å; K151-L155 VanDerWaalsContact O-CG 3.32Å; K151-L155 WeakPolarHBondContact O-CG 3.49Å; K151-L155 PolarHBondContact O-N 3.12Å; K151-L155 VanDerWaalsContact O-N 3.11Å; K151-E162 WeakPolarHBondContact CE-OE1 3.36Å; K151-E162 VanDerWaalsContact NZ-CD 3.33Å; K151-E162 IonicContact NZ-OE1 3.65Å; K151-E162 PolarHBondContact NZ-OE1 3.22Å; K151-E162 IonicContact NZ-OE2 3.72Å; K151-G183 PolarHBondContact NZ-O 2.84Å; K151-V185 HydrophobicContact CD-CG2 3.91Å; K151-V185 HydrophobicContact CG-CB 4.47Å; K151-V185 HydrophobicContact CG-CG2 3.91Å
152K96.4Very high95.6Very high130 Ų13094.3 Ų94.357%0.56543%0.428SS*.Hα-helixtrans-63.9-47.1177.9-177.4-179.4170.9-173.70110.9Q148 E149 E150 L154 L155 E156Q148-K152 WeakPolarHBondContact O-CB 3.16Å; Q148-K152 PolarHBondContact O-N 2.65Å; E149-K152 WeakPolarHBondContact O-CB 3.03Å; E149-K152 PolarHBondContact O-N 3.48Å; E149-K152 VanDerWaalsContact O-N 3.1Å; E150-K152 VanDerWaalsContact C-N 3.35Å; K152-L154 VanDerWaalsContact C-N 3.31Å; K152-L154 PolarHBondContact O-N 3.28Å; K152-L155 PolarHBondContact O-N 2.77Å; K152-E156 WeakPolarHBondContact CE-OE1 3.45Å; K152-E156 WeakPolarHBondContact O-CG 3.11Å; K152-E156 PolarHBondContact O-N 2.92Å
153E97.1Very high95.6Very high120 Ų12094 Ų9456%0.56143%0.431SS*.Hα-helixtrans-58.6-43176.5-169.4-168156.100111.6E149 E150 L155 E156 R157E149-E153 PolarHBondContact O-N 3.14Å; E150-E153 PolarHBondContact O-N 3.07Å; E153-L155 PolarHBondContact O-N 3.38Å; E153-E156 PolarHBondContact O-N 2.86Å; E153-R157 WeakPolarHBondContact O-CB 3.3Å; E153-R157 PolarHBondContact O-N 2.92Å
154L96.1Very high95.5Very high12 Ų1298.8 Ų98.86%0.06345%0.453CS..Hα-helixtrans-57.7-49.4176.4175.270000111.9L146 E150 K151 K152 Y158 V185 Y201L146-L154 HydrophobicContact CD1-CD2 4Å; E150-L154 WeakPolarHBondContact O-CB 3.11Å; E150-L154 PolarHBondContact O-N 3.34Å; K151-L154 WeakPolarHBondContact O-CB 3.29Å; K151-L154 PolarHBondContact O-N 2.69Å; K152-L154 VanDerWaalsContact C-N 3.31Å; K152-L154 PolarHBondContact O-N 3.28Å; L154-Y158 HydrophobicContact CD1-CD2 3.69Å; L154-Y158 HydrophobicContact CD1-CE2 3.67Å; L154-Y158 WeakPolarHBondContact O-CD2 3.37Å; L154-Y158 PolarHBondContact O-N 2.94Å; L154-V185 HydrophobicContact CD2-CG1 3.98Å; L154-Y201 HydrophobicContact CD1-CD1 4.04Å; L154-Y201 HydrophobicContact CD1-CD2 3.75Å; L154-Y201 HydrophobicContact CD1-CE1 3.85Å; L154-Y201 HydrophobicContact CD1-CE2 3.58Å; L154-Y201 HydrophobicContact CD1-CG 3.98Å; L154-Y201 HydrophobicContact CD2-CD1 3.62Å; L154-Y201 HydrophobicContact CD2-CD2 4.32Å; L154-Y201 HydrophobicContact CD2-CE1 4.11Å; L154-Y201 HydrophobicContact CD2-CG 3.73Å; L154-Y201 HydrophobicContact CG-CD1 4.49Å
155L96.5Very high95.5Very high27 Ų2796.4 Ų96.414%0.14144%0.44CS..Hα-helixtrans-65.6-40.2-178.6-67.4172.2000111.3K151 K152 E153 R159 L160 E162 L165K151-L155 HydrophobicContact CG-CD1 4.29Å; K151-L155 VanDerWaalsContact O-CG 3.32Å; K151-L155 WeakPolarHBondContact O-CG 3.49Å; K151-L155 PolarHBondContact O-N 3.12Å; K151-L155 VanDerWaalsContact O-N 3.11Å; K152-L155 PolarHBondContact O-N 2.77Å; E153-L155 PolarHBondContact O-N 3.38Å; L155-R159 CarbonylContact O-C 3.45Å; L155-R159 VanDerWaalsContact O-CA 3.27Å; L155-R159 WeakPolarHBondContact O-CA 3.45Å; L155-R159 PolarHBondContact O-N 3.47Å; L155-L160 HydrophobicContact CD2-CB 4.2Å; L155-L160 PolarHBondContact O-N 3.21Å; L155-E162 HydrophobicContact CD1-CG 3.82Å; L155-L165 HydrophobicContact CD2-CD1 4.04Å; L155-L165 HydrophobicContact CD2-CG 4.42Å
156E96.4Very high95.6Very high123 Ų12397 Ų9758%0.57545%0.445SS*.Hα-helixtrans-65.8-47.4176.7-73177.5-177.400111.8K152 E153 Y158 R159K152-E156 WeakPolarHBondContact CE-OE1 3.45Å; K152-E156 WeakPolarHBondContact O-CG 3.11Å; K152-E156 PolarHBondContact O-N 2.92Å; E153-E156 PolarHBondContact O-N 2.86Å; E156-Y158 VanDerWaalsContact C-N 3.34Å; E156-Y158 PolarHBondContact O-N 3.26Å; E156-R159 PolarHBondContact O-N 2.88Å
157R96.5Very high95.7Very high178 Ų178101.6 Ų101.667%0.67246%0.464SS*.Hα-helixtrans-58.3-43.1-178.2-179.7175.5177.9171.61.1112.8E153E153-R157 WeakPolarHBondContact O-CB 3.3Å; E153-R157 PolarHBondContact O-N 2.92Å
158Y95.5Very high95.7Very high122 Ų12298.4 Ų98.448%0.47844%0.444SS..Hα-helixtrans-96.20-179.9-67.3-77.1000113.6L154 E156 L160L154-Y158 HydrophobicContact CD1-CD2 3.69Å; L154-Y158 HydrophobicContact CD1-CE2 3.67Å; L154-Y158 WeakPolarHBondContact O-CD2 3.37Å; L154-Y158 PolarHBondContact O-N 2.94Å; E156-Y158 VanDerWaalsContact C-N 3.34Å; E156-Y158 PolarHBondContact O-N 3.26Å; Y158-L160 HydrophobicContact CG-CD1 4.36Å; Y158-L160 PolarHBondContact O-N 2.98Å
159R95.7Very high95.8Very high230 Ų23097.3 Ų97.387%0.86844%0.439SS*.THydrogen-bonded Turntrans51.841.8-174.8-55.6179.8-179.4-178.5-0.3112.4L155 E156L155-R159 CarbonylContact O-C 3.45Å; L155-R159 VanDerWaalsContact O-CA 3.27Å; L155-R159 WeakPolarHBondContact O-CA 3.45Å; L155-R159 PolarHBondContact O-N 3.47Å; E156-R159 PolarHBondContact O-N 2.88Å
160L94.7Very high95.7Very high61 Ų6191.6 Ų91.632%0.31942%0.42SS..  trans-99.4150.2-177.5-64.6174.5000111.2L155 Y158 Q164 L165L155-L160 HydrophobicContact CD2-CB 4.2Å; L155-L160 PolarHBondContact O-N 3.21Å; Y158-L160 HydrophobicContact CG-CD1 4.36Å; Y158-L160 PolarHBondContact O-N 2.98Å; L160-Q164 HydrophobicContact CD2-CB 4.31Å; L160-L165 HydrophobicContact CD1-CD2 4.05Å
161K94.5Very high95.6Very high149 Ų14991.8 Ų91.865%0.64843%0.43SS*.  trans-90.8152.8162.5-64.1-178.4-178.4-178.30109.5N163 Q164K161-N163 WeakPolarHBondContact CB-OD1 3.41Å; K161-N163 PolarHBondContact O-N 3.2Å; K161-N163 VanDerWaalsContact O-N 3.14Å; K161-Q164 HydrophobicContact CB-CG 4.28Å; K161-Q164 WeakPolarHBondContact O-CB 3.43Å; K161-Q164 PolarHBondContact O-N 3.23Å
162E93.8Very high95.5Very high88 Ų8893.5 Ų93.541%0.41144%0.44SS..G310 helixtrans-54-37.2179.8-66.6-170.2174.900113.5K151 L155 Q164 L165 I203K151-E162 WeakPolarHBondContact CE-OE1 3.36Å; K151-E162 VanDerWaalsContact NZ-CD 3.33Å; K151-E162 IonicContact NZ-OE1 3.65Å; K151-E162 PolarHBondContact NZ-OE1 3.22Å; K151-E162 IonicContact NZ-OE2 3.72Å; L155-E162 HydrophobicContact CD1-CG 3.82Å; E162-Q164 PolarHBondContact O-N 3.03Å; E162-L165 PolarHBondContact O-N 2.95Å; E162-I203 HydrophobicContact CB-CD1 3.84Å; E162-I203 HydrophobicContact CG-CD1 4.39Å
163N94Very high95.5Very high115 Ų11591 Ų9162%0.61544%0.437SS*.G310 helixtrans-70.9-11.9179.967.4-19.8000114.3K161K161-N163 WeakPolarHBondContact CB-OD1 3.41Å; K161-N163 PolarHBondContact O-N 3.2Å; K161-N163 VanDerWaalsContact O-N 3.14Å
164Q95.1Very high95.4Very high115 Ų11586 Ų8654%0.53742%0.415SS..G310 helixtrans-89.8-12.2176.5-62.7175.8-50.800112.3L160 K161 E162L160-Q164 HydrophobicContact CD2-CB 4.31Å; K161-Q164 HydrophobicContact CB-CG 4.28Å; K161-Q164 WeakPolarHBondContact O-CB 3.43Å; K161-Q164 PolarHBondContact O-N 3.23Å; E162-Q164 PolarHBondContact O-N 3.03Å
165L95.3Very high95.4Very high10 Ų1085.4 Ų85.45%0.05241%0.412CS..SBendtrans-71.2141.9174.4-68.8174.9000110.5L155 L160 E162 V185 I203L155-L165 HydrophobicContact CD2-CD1 4.04Å; L155-L165 HydrophobicContact CD2-CG 4.42Å; L160-L165 HydrophobicContact CD1-CD2 4.05Å; E162-L165 PolarHBondContact O-N 2.95Å; L165-V185 HydrophobicContact CD1-CG1 4.37Å; L165-V185 HydrophobicContact CD1-CG2 3.9Å; L165-I203 HydrophobicContact CB-CB 4.11Å; L165-I203 HydrophobicContact CB-CG2 3.82Å; L165-I203 HydrophobicContact CD1-CB 4.26Å
166P96.7Very high95.3Very high67 Ų6787.5 Ų87.544%0.43542%0.418SS..PPolyproline II helixtrans-54.9141.4169.4-23.833.6000111.1R202 I203P166-R202 HydrophobicContact CB-CG 4.26Å; P166-R202 CarbonylContact O-C 3.59Å; P166-R202 WeakPolarHBondContact O-CA 3.37Å; P166-I203 PolarHBondContact O-N 3.03Å
167K97Very high95.3Very high116 Ų11682 Ų8250%0.50439%0.392SS..EExtended strand (participates in β ladder)trans-97.5150.1-169.6-64.6167.1178-174.10111.7I203 L205K167-I203 CarbonylContact C-O 3.55Å; K167-I203 WeakPolarHBondContact CA-O 3.27Å; K167-I203 HydrophobicContact CG-CG2 4.22Å; K167-L205 HydrophobicContact CB-CD1 3.95Å; K167-L205 HydrophobicContact CB-CD2 4.42Å; K167-L205 HydrophobicContact CB-CG 4.01Å; K167-L205 HydrophobicContact CD-CD1 3.87Å; K167-L205 HydrophobicContact CD-CD2 3.9Å; K167-L205 HydrophobicContact CD-CG 4.21Å; K167-L205 HydrophobicContact CG-CD1 4.22Å; K167-L205 HydrophobicContact CG-CD2 3.99Å; K167-L205 HydrophobicContact CG-CG 4.15Å
168M96.3Very high95.3Very high7 Ų775.1 Ų75.13%0.03437%0.366CS..EExtended strand (participates in β ladder)trans-127.9139.4168.8-178168.626.500108.8D172 A175 L180 V186 R202 I203 V204 L205M168-D172 HydrophobicContact CG-CB 3.94Å; M168-D172 HydrophobicContact SD-CB 4.31Å; M168-A175 HydrophobicContact CG-CB 4.38Å; M168-A175 HydrophobicContact SD-CB 4.11Å; M168-L180 HydrophobicContact CE-CD1 3.98Å; M168-V186 HydrophobicContact CE-CB 4.14Å; M168-V186 HydrophobicContact CE-CG1 3.22Å; M168-R202 HydrophobicContact CB-CB 4.19Å; M168-R202 HydrophobicContact CE-CB 4.14Å; M168-I203 PolarHBondContact N-O 3.38Å; M168-V204 HydrophobicContact CE-CG2 4Å; M168-V204 WeakPolarHBondContact O-CA 3.32Å; M168-L205 PolarHBondContact O-N 2.98Å
169Q96.1Very high95.2Very high109 Ų10969.9 Ų69.951%0.50935%0.35SS..  trans-77.2141.8176.6-62.7-64.5-34.300109.6S171 D172 A175Q169-S171 PolarHBondContact O-N 3.38Å; Q169-D172 WeakPolarHBondContact O-CB 3.37Å; Q169-D172 PolarHBondContact O-N 3.17Å; Q169-A175 WeakPolarHBondContact O-CB 3.48Å
170A93.6Very high95.1Very high43 Ų4359.6 Ų59.636%0.35531%0.312SS..THydrogen-bonded Turntrans-61.6-21.2170.500000113D172 V204A170-D172 VanDerWaalsContact C-N 3.3Å; A170-V204 HydrophobicContact CB-CG1 3.99Å
171S93.9Very high95Very high87 Ų8762.8 Ų62.861%0.60832%0.32SS*.THydrogen-bonded Turntrans-79.8-7.1174.358.60000114.3Q169Q169-S171 PolarHBondContact O-N 3.38Å
172D95.2Very high95Very high54 Ų5465.5 Ų65.529%0.28933%0.326SS..SBendtrans-58.7135.7176.3-174.6-75.5000110M168 Q169 A170 V174 A175 R176M168-D172 HydrophobicContact CG-CB 3.94Å; M168-D172 HydrophobicContact SD-CB 4.31Å; Q169-D172 WeakPolarHBondContact O-CB 3.37Å; Q169-D172 PolarHBondContact O-N 3.17Å; A170-D172 VanDerWaalsContact C-N 3.3Å; D172-V174 PolarHBondContact O-N 2.78Å; D172-V174 WeakPolarHBondContact OD1-CB 3.46Å; D172-V174 PolarHBondContact OD1-N 3.37Å; D172-A175 HydrophobicContact CB-CB 3.88Å; D172-A175 WeakPolarHBondContact O-CB 3.49Å; D172-A175 PolarHBondContact O-N 2.87Å; D172-R176 PolarHBondContact O-N 2.8Å
173P94.7Very high95Very high78 Ų7862.1 Ų62.151%0.50632%0.315SS..Hα-helixtrans-54.4-37.3-179.2-28.236000113.8I134 Y177I134-P173 HydrophobicContact CD1-CB 3.48Å; I134-P173 VanDerWaalsContact CD1-CB 3.48Å; P173-Y177 WeakPolarHBondContact O-CB 3.32Å; P173-Y177 PolarHBondContact O-N 3.31Å
174V95.3Very high95.1Very high14 Ų1459.4 Ų59.49%0.08530%0.299CS..Hα-helixtrans-74.3-38.3177.5-1790000110.7I134 V140 H143 D172 R176 Y177 Y178I134-V174 HydrophobicContact CD1-CG2 4.23Å; V140-V174 HydrophobicContact CG1-CG2 4.24Å; H143-V174 HydrophobicContact CB-CG1 4.25Å; D172-V174 PolarHBondContact O-N 2.78Å; D172-V174 WeakPolarHBondContact OD1-CB 3.46Å; D172-V174 PolarHBondContact OD1-N 3.37Å; V174-R176 VanDerWaalsContact C-N 3.33Å; V174-R176 PolarHBondContact O-N 2.93Å; V174-Y177 WeakPolarHBondContact O-CB 3.31Å; V174-Y177 PolarHBondContact O-N 3.11Å; V174-Y178 HydrophobicContact CG1-CD2 3.8Å; V174-Y178 HydrophobicContact CG1-CE2 3.81Å; V174-Y178 WeakPolarHBondContact O-CD2 3.41Å; V174-Y178 PolarHBondContact O-N 2.83Å; V174-Y178 VanDerWaalsContact O-N 3.08Å
175A96.1Very high95.2Very high1 Ų154 Ų541%0.00827%0.273CS..Hα-helixtrans-61.6-43.217400000111.5M168 Q169 D172 G179 L180M168-A175 HydrophobicContact CG-CB 4.38Å; M168-A175 HydrophobicContact SD-CB 4.11Å; Q169-A175 WeakPolarHBondContact O-CB 3.48Å; D172-A175 HydrophobicContact CB-CB 3.88Å; D172-A175 WeakPolarHBondContact O-CB 3.49Å; D172-A175 PolarHBondContact O-N 2.87Å; A175-G179 PolarHBondContact O-N 2.93Å; A175-G179 VanDerWaalsContact O-N 3.1Å; A175-L180 HydrophobicContact CB-CB 4.37Å; A175-L180 HydrophobicContact CB-CD1 4.24Å; A175-L180 PolarHBondContact O-N 3.18Å
176R95.4Very high95.3Very high71 Ų7153.6 Ų53.627%0.26827%0.271SS..Hα-helixtrans-61.9-44.8171.9-71.4179.263.1-153.5-6.4111.2R23 C124 F125 E129 D172 V174 Y178 G179R23-R176 PolarHBondContact NH2-O 3.35Å; C124-R176 PolarHBondContact O-NH2 3Å; F125-R176 HydrophobicContact CE1-CB 4.09Å; F125-R176 HydrophobicContact CZ-CB 4.27Å; F125-R176 WeakPolarHBondContact CZ-O 3.4Å; E129-R176 IonicContact OE1-CZ 3.21Å; E129-R176 IonicContact OE1-NH1 2.82Å; E129-R176 PolarHBondContact OE1-NH1 2.9Å; E129-R176 IonicContact OE1-NH2 2.7Å; E129-R176 IonicContact OE2-CZ 3.99Å; E129-R176 IonicContact OE2-NH1 2.81Å; E129-R176 PolarHBondContact OE2-NH1 2.92Å; E129-R176 IonicContact OE2-NH2 3.4Å; E129-R176 PolarHBondContact OE2-NH2 2.96Å; D172-R176 PolarHBondContact O-N 2.8Å; V174-R176 VanDerWaalsContact C-N 3.33Å; V174-R176 PolarHBondContact O-N 2.93Å; R176-Y178 VanDerWaalsContact C-N 3.34Å; R176-Y178 PolarHBondContact O-N 2.99Å; R176-G179 PolarHBondContact O-N 3.15Å
177Y96.3Very high95.3Very high6 Ų654.5 Ų54.52%0.02427%0.266CS..Hα-helixtrans-54.7-46.4179.1-176.1-87.5000112.6M19 D22 R23 N133 I134 T135 P173 V174 G179M19-Y177 WeakPolarHBondContact CA-OH 3.49Å; M19-Y177 HydrophobicContact CB-CD2 4.43Å; M19-Y177 HydrophobicContact CB-CE1 4.37Å; M19-Y177 HydrophobicContact CB-CE2 3.79Å; M19-Y177 HydrophobicContact CE-CD2 3.66Å; M19-Y177 HydrophobicContact CE-CE2 3.94Å; M19-Y177 HydrophobicContact CE-CG 4.4Å; M19-Y177 HydrophobicContact CG-CD1 4.32Å; M19-Y177 HydrophobicContact CG-CD2 4.07Å; M19-Y177 HydrophobicContact CG-CE1 4.17Å; M19-Y177 HydrophobicContact CG-CE2 3.91Å; M19-Y177 HydrophobicContact CG-CG 4.27Å; M19-Y177 VanDerWaalsContact CG-O 3.24Å; M19-Y177 WeakPolarHBondContact CG-O 3.5Å; M19-Y177 PolarHBondContact N-OH 3.41Å; D22-Y177 HydrophobicContact CB-CE1 3.97Å; D22-Y177 PolarHBondContact OD2-OH 3.34Å; D22-Y177 VanDerWaalsContact OD2-OH 3.13Å; R23-Y177 PolarHBondContact NE-O 3.42Å; R23-Y177 PolarHBondContact NH2-O 2.91Å; N133-Y177 PolarHBondContact ND2-OH 3.04Å; N133-Y177 WeakPolarHBondContact OD1-CE2 3.34Å; I134-Y177 HydrophobicContact CG1-CD2 4.5Å; T135-Y177 HydrophobicContact CG2-CD1 3.61Å; T135-Y177 HydrophobicContact CG2-CD2 4.07Å; T135-Y177 HydrophobicContact CG2-CE1 3.54Å; T135-Y177 HydrophobicContact CG2-CE2 4Å; T135-Y177 HydrophobicContact CG2-CG 3.88Å; P173-Y177 WeakPolarHBondContact O-CB 3.32Å; P173-Y177 PolarHBondContact O-N 3.31Å; V174-Y177 WeakPolarHBondContact O-CB 3.31Å; V174-Y177 PolarHBondContact O-N 3.11Å; Y177-G179 VanDerWaalsContact C-N 3.33Å
178Y95.1Very high95.3Very high34 Ų3449.1 Ų49.113%0.13324%0.243CC..THydrogen-bonded Turntrans-84.7-2178-72.3-78.4000114.1D22 T135 H143 V145 V174 R176 L180D22-Y178 HydrophobicContact CB-CE1 4.06Å; T135-Y178 HydrophobicContact CG2-CE2 4.46Å; H143-Y178 HydrophobicContact CB-CD2 4.36Å; H143-Y178 HydrophobicContact CB-CE2 3.67Å; H143-Y178 PolarHBondContact O-OH 2.95Å; V145-Y178 HydrophobicContact CG2-CD1 4.17Å; V145-Y178 HydrophobicContact CG2-CG 4.3Å; V174-Y178 HydrophobicContact CG1-CD2 3.8Å; V174-Y178 HydrophobicContact CG1-CE2 3.81Å; V174-Y178 WeakPolarHBondContact O-CD2 3.41Å; V174-Y178 PolarHBondContact O-N 2.83Å; V174-Y178 VanDerWaalsContact O-N 3.08Å; R176-Y178 VanDerWaalsContact C-N 3.34Å; R176-Y178 PolarHBondContact O-N 2.99Å; Y178-L180 VanDerWaalsContact C-N 3.31Å; Y178-L180 PolarHBondContact O-N 3.35Å
179G93.7Very high95.3Very high13 Ų1349.8 Ų49.813%0.13425%0.247CC..THydrogen-bonded Turntrans65.333.7-177.600000113A175 R176 Y177A175-G179 PolarHBondContact O-N 2.93Å; A175-G179 VanDerWaalsContact O-N 3.1Å; R176-G179 PolarHBondContact O-N 3.15Å; Y177-G179 VanDerWaalsContact C-N 3.33Å
180L94.4Very high95.2Very high14 Ų1449.1 Ų49.17%0.07324%0.24CC..  trans-68.8140.4-174.6-55.5-176.8000112.1V145 M168 A175 Y178 V186 V204V145-L180 HydrophobicContact CB-CD2 4.33Å; V145-L180 HydrophobicContact CG1-CD2 3.82Å; V145-L180 HydrophobicContact CG2-CD2 3.54Å; M168-L180 HydrophobicContact CE-CD1 3.98Å; A175-L180 HydrophobicContact CB-CB 4.37Å; A175-L180 HydrophobicContact CB-CD1 4.24Å; A175-L180 PolarHBondContact O-N 3.18Å; Y178-L180 VanDerWaalsContact C-N 3.31Å; Y178-L180 PolarHBondContact O-N 3.35Å; L180-V186 HydrophobicContact CD1-CB 4.41Å; L180-V204 HydrophobicContact CB-CG1 4.49Å; L180-V204 HydrophobicContact CB-CG2 3.79Å; L180-V204 HydrophobicContact CD1-CG2 3.68Å; L180-V204 HydrophobicContact CG-CG2 4.38Å
181R92.5Very high95.1Very high127 Ų12752.7 Ų52.748%0.47926%0.26SS..  trans-109.1158.3175.7-58.2-168.3-169.1-1514.5111.7T121 G183 Q184 V204T121-R181 PolarHBondContact OG1-NH2 3.35Å; R181-G183 PolarHBondContact O-N 3.29Å; R181-Q184 WeakPolarHBondContact O-CB 3.44Å; R181-Q184 PolarHBondContact O-N 3.27Å; R181-Q184 VanDerWaalsContact O-N 3.07Å; R181-V204 WeakPolarHBondContact O-CB 3.22Å
182R93.8Very high95Very high206 Ų20649.9 Ų49.978%0.77724%0.24SC*.THydrogen-bonded Turntrans-47.6130.3174.5178.6173.6-177.6178.7-2.3111.7Q184 V204 L205R182-Q184 VanDerWaalsContact C-N 3.33Å; R182-V204 WeakPolarHBondContact CA-O 3.44Å; R182-L205 WeakPolarHBondContact CB-OXT 3.47Å; R182-L205 WeakPolarHBondContact CD-OXT 3.39Å; R182-L205 WeakPolarHBondContact CG-OXT 2.95Å
183G94.8Very high94.8Very high18 Ų1857.1 Ų57.119%0.18627%0.272CS..THydrogen-bonded Turntrans87.9-10.2178.500000115K151 R181 V204K151-G183 PolarHBondContact NZ-O 2.84Å; R181-G183 PolarHBondContact O-N 3.29Å; G183-V204 PolarHBondContact N-O 3.45Å
184Q96.1Very high94.8Very high58 Ų5860 Ų6027%0.27129%0.288SS..  trans-72.1149.5169.9-68.6-176.9-48.600110.7R181 R182 I203 V204R181-Q184 WeakPolarHBondContact O-CB 3.44Å; R181-Q184 PolarHBondContact O-N 3.27Å; R181-Q184 VanDerWaalsContact O-N 3.07Å; R182-Q184 VanDerWaalsContact C-N 3.33Å; Q184-I203 WeakPolarHBondContact O-CA 3.36Å; Q184-V204 PolarHBondContact O-N 3.14Å
185V96.8Very high94.5Very high1 Ų162.7 Ų62.71%0.00631%0.312CS..EExtended strand (participates in β ladder)trans-116.7134.3-179.3179.50000109L146 K151 L154 L165 Y201 R202 I203L146-V185 WeakPolarHBondContact CB-O 3.28Å; L146-V185 HydrophobicContact CD1-CB 4.29Å; L146-V185 HydrophobicContact CD1-CG1 3.84Å; L146-V185 HydrophobicContact CG-CG1 4.5Å; L146-V185 PolarHBondContact N-O 2.87Å; K151-V185 HydrophobicContact CD-CG2 3.91Å; K151-V185 HydrophobicContact CG-CB 4.47Å; K151-V185 HydrophobicContact CG-CG2 3.91Å; L154-V185 HydrophobicContact CD2-CG1 3.98Å; L165-V185 HydrophobicContact CD1-CG1 4.37Å; L165-V185 HydrophobicContact CD1-CG2 3.9Å; V185-Y201 HydrophobicContact CG1-CD1 4.49Å; V185-R202 CarbonylContact C-O 3.52Å; V185-R202 WeakPolarHBondContact CA-O 3.43Å; V185-I203 HydrophobicContact CG2-CB 4.19Å; V185-I203 HydrophobicContact CG2-CD1 4.44Å; V185-I203 HydrophobicContact CG2-CG1 4.11Å
186V97.1Very high94.2Very high1 Ų165 Ų651%0.00634%0.335CS..EExtended strand (participates in β ladder)trans-107.9138.4172.974.20000109.8H143 N144 M168 L180 I188 Y201 R202H143-V186 HydrophobicContact CB-CG2 3.74Å; N144-V186 WeakPolarHBondContact O-CA 3.42Å; N144-V186 WeakPolarHBondContact O-CG2 3.38Å; M168-V186 HydrophobicContact CE-CB 4.14Å; M168-V186 HydrophobicContact CE-CG1 3.22Å; L180-V186 HydrophobicContact CD1-CB 4.41Å; V186-I188 HydrophobicContact CG1-CD1 4.11Å; V186-I188 HydrophobicContact CG1-CG1 3.87Å; V186-Y201 VanDerWaalsContact O-CA 3.31Å; V186-Y201 WeakPolarHBondContact O-CA 3.14Å; V186-R202 HydrophobicContact CG1-CB 4.06Å; V186-R202 PolarHBondContact N-O 3.1Å; V186-R202 PolarHBondContact O-N 2.92Å
187R97.2Very high94.1Very high86 Ų8670.9 Ų70.933%0.32536%0.358SS..EExtended strand (participates in β ladder)trans-92.1125.2166.4177.5-177.7169.9-162.7-2.8108.9H143 N144 L146 I199 Y201H143-R187 WeakPolarHBondContact CA-O 3.45Å; N144-R187 PolarHBondContact N-O 3.13Å; N144-R187 PolarHBondContact O-N 2.96Å; L146-R187 HydrophobicContact CD2-CB 3.86Å; L146-R187 HydrophobicContact CG-CB 4.31Å; R187-I199 HydrophobicContact CG-CG2 3.75Å; R187-I199 VanDerWaalsContact NH2-CD1 3.31Å; R187-Y201 HydrophobicContact CB-CD1 3.93Å; R187-Y201 HydrophobicContact CB-CE1 3.76Å; R187-Y201 HydrophobicContact CG-CD1 4.22Å; R187-Y201 HydrophobicContact CG-CE1 3.7Å
188I97.2Very high94Very high3 Ų376.7 Ų76.72%0.01538%0.381CS..EExtended strand (participates in β ladder)trans-111.4120.7-179-50.2-178.9000108.3P141 Q142 V186 R190 I199 T200 R202P141-I188 HydrophobicContact CB-CG2 3.81Å; P141-I188 HydrophobicContact CG-CG2 3.44Å; P141-I188 VanDerWaalsContact CG-CG2 3.44Å; Q142-I188 WeakPolarHBondContact O-CA 3.32Å; V186-I188 HydrophobicContact CG1-CD1 4.11Å; V186-I188 HydrophobicContact CG1-CG1 3.87Å; I188-R190 HydrophobicContact CG2-CG 4.08Å; I188-I199 WeakPolarHBondContact O-CA 3.49Å; I188-T200 HydrophobicContact CB-CG2 3.76Å; I188-T200 HydrophobicContact CD1-CG2 4.37Å; I188-T200 HydrophobicContact CG1-CG2 4.42Å; I188-T200 HydrophobicContact CG2-CG2 4.33Å; I188-T200 PolarHBondContact N-O 3.45Å; I188-T200 PolarHBondContact O-N 2.86Å; I188-R202 HydrophobicContact CD1-CB 4.47Å; I188-R202 HydrophobicContact CD1-CG 3.89Å
189T95.7Very high94Very high21 Ų2178.3 Ų78.313%0.12939%0.391CS..EExtended strand (participates in β ladder)trans-106.7119.2177.8-55.30000109.6P141 Q142P141-T189 WeakPolarHBondContact CB-O 3.05Å; Q142-T189 PolarHBondContact N-O 3.17Å; Q142-T189 PolarHBondContact O-N 2.95Å
190R94Very high94.1Very high96 Ų9679 Ų7936%0.36239%0.392SS..EExtended strand (participates in β ladder)trans-115.7143.4-177.8-56.3-172.6174.2178-6110.8P141 I188 R197 Y198P141-R190 HydrophobicContact CB-CG 3.72Å; P141-R190 HydrophobicContact CG-CG 4.15Å; I188-R190 HydrophobicContact CG2-CG 4.08Å; R190-R197 CarbonylContact O-C 3.56Å; R190-R197 WeakPolarHBondContact O-CA 3.35Å; R190-Y198 PolarHBondContact N-O 3.25Å; R190-Y198 PolarHBondContact O-N 3.37Å
191P91.3Very high94.2Very high118 Ų11880.4 Ų80.477%0.76640%0.397SS*.EExtended strand (participates in β ladder)trans-63.6138.4163.828.9-32.6000109
192S91.6Very high94.4Very high28 Ų2878.5 Ų78.520%0.19639%0.39CS..EExtended strand (participates in β ladder)trans-129.1129.81781740000108.9T194 A195 G196S192-T194 PolarHBondContact O-N 2.85Å; S192-T194 PolarHBondContact OG-OG1 3.47Å; S192-A195 PolarHBondContact OG-N 3.23Å; S192-G196 PolarHBondContact N-O 3.39Å; S192-G196 CarbonylContact O-C 3.56Å; S192-G196 WeakPolarHBondContact O-CA 3.31Å; S192-G196 PolarHBondContact O-N 3.35Å
193E92.3Very high94.6Very high206 Ų20669.2 Ų69.296%0.96336%0.355SS*.THydrogen-bonded Turntrans-63.2-32178.7-64.7-179.5170.300112.3
194T93.7Very high94.7Very high138 Ų13868.4 Ų68.485%0.84735%0.347SS*.THydrogen-bonded Turntrans-94.1-40.5-175.454.20000113.4S192S192-T194 PolarHBondContact O-N 2.85Å; S192-T194 PolarHBondContact OG-OG1 3.47Å
195A88.6Confident94.5Very high71 Ų7169.4 Ų69.459%0.58735%0.354SS*.THydrogen-bonded Turntrans-104.2-1-174.800000113.6S192 R197S192-A195 PolarHBondContact OG-N 3.23Å; A195-R197 PolarHBondContact O-N 2.9Å
196G90.9Very high94.4Very high48 Ų4872.9 Ų72.950%0.49537%0.371SS..EExtended strand (participates in β ladder)trans73.8-54-168.800000112.4S192S192-G196 PolarHBondContact N-O 3.39Å; S192-G196 CarbonylContact O-C 3.56Å; S192-G196 WeakPolarHBondContact O-CA 3.31Å; S192-G196 PolarHBondContact O-N 3.35Å
197R92.3Very high94.2Very high195 Ų19576.6 Ų76.674%0.73639%0.39SS*.EExtended strand (participates in β ladder)trans-135.1134176.6-63.9-177.3-179.9-177.8-0.6111.3R190 A195R190-R197 CarbonylContact O-C 3.56Å; R190-R197 WeakPolarHBondContact O-CA 3.35Å; A195-R197 PolarHBondContact O-N 2.9Å
198Y94.4Very high94.1Very high129 Ų12976.1 Ų76.151%0.50639%0.394SS..EExtended strand (participates in β ladder)trans-113.7124.9173179.9-101.6000109.7R190 T200R190-Y198 PolarHBondContact N-O 3.25Å; R190-Y198 PolarHBondContact O-N 3.37Å; Y198-T200 HydrophobicContact CE1-CG2 4.28Å
199I94.9Very high93.9Very high68 Ų6880.4 Ų80.435%0.34942%0.416SS..EExtended strand (participates in β ladder)trans-106.3128.5179.4-60.4164.8000108.3R187 I188 Y201R187-I199 HydrophobicContact CG-CG2 3.75Å; R187-I199 VanDerWaalsContact NH2-CD1 3.31Å; I188-I199 WeakPolarHBondContact O-CA 3.49Å; I199-Y201 HydrophobicContact CG2-CE1 4.45Å; I199-Y201 HydrophobicContact CG2-CE2 3.96Å
200T95.9Very high93.8Very high26 Ų2684.1 Ų84.116%0.1643%0.434CS..EExtended strand (participates in β ladder)trans-133163174-168.70000110.6I188 Y198I188-T200 HydrophobicContact CB-CG2 3.76Å; I188-T200 HydrophobicContact CD1-CG2 4.37Å; I188-T200 HydrophobicContact CG1-CG2 4.42Å; I188-T200 HydrophobicContact CG2-CG2 4.33Å; I188-T200 PolarHBondContact N-O 3.45Å; I188-T200 PolarHBondContact O-N 2.86Å; Y198-T200 HydrophobicContact CE1-CG2 4.28Å
201Y96.9Very high93.8Very high45 Ų4583.3 Ų83.318%0.17644%0.439CS..EExtended strand (participates in β ladder)trans-127.9143.3-176.1-57.9-88.5000110L146 L154 V185 V186 R187 I199L146-Y201 HydrophobicContact CD1-CD1 3.95Å; L146-Y201 HydrophobicContact CD1-CE1 4.03Å; L154-Y201 HydrophobicContact CD1-CD1 4.04Å; L154-Y201 HydrophobicContact CD1-CD2 3.75Å; L154-Y201 HydrophobicContact CD1-CE1 3.85Å; L154-Y201 HydrophobicContact CD1-CE2 3.58Å; L154-Y201 HydrophobicContact CD1-CG 3.98Å; L154-Y201 HydrophobicContact CD2-CD1 3.62Å; L154-Y201 HydrophobicContact CD2-CD2 4.32Å; L154-Y201 HydrophobicContact CD2-CE1 4.11Å; L154-Y201 HydrophobicContact CD2-CG 3.73Å; L154-Y201 HydrophobicContact CG-CD1 4.49Å; V185-Y201 HydrophobicContact CG1-CD1 4.49Å; V186-Y201 VanDerWaalsContact O-CA 3.31Å; V186-Y201 WeakPolarHBondContact O-CA 3.14Å; R187-Y201 HydrophobicContact CB-CD1 3.93Å; R187-Y201 HydrophobicContact CB-CE1 3.76Å; R187-Y201 HydrophobicContact CG-CD1 4.22Å; R187-Y201 HydrophobicContact CG-CE1 3.7Å; I199-Y201 HydrophobicContact CG2-CE1 4.45Å; I199-Y201 HydrophobicContact CG2-CE2 3.96Å
202R97.5Very high93.9Very high86 Ų8680.9 Ų80.933%0.32542%0.416SS..EExtended strand (participates in β ladder)trans-135.5139.8174.3-64-167.4170.8-156.3-4111.6P166 M168 V185 V186 I188P166-R202 HydrophobicContact CB-CG 4.26Å; P166-R202 CarbonylContact O-C 3.59Å; P166-R202 WeakPolarHBondContact O-CA 3.37Å; M168-R202 HydrophobicContact CB-CB 4.19Å; M168-R202 HydrophobicContact CE-CB 4.14Å; V185-R202 CarbonylContact C-O 3.52Å; V185-R202 WeakPolarHBondContact CA-O 3.43Å; V186-R202 HydrophobicContact CG1-CB 4.06Å; V186-R202 PolarHBondContact N-O 3.1Å; V186-R202 PolarHBondContact O-N 2.92Å; I188-R202 HydrophobicContact CD1-CB 4.47Å; I188-R202 HydrophobicContact CD1-CG 3.89Å
203I97.1Very high94.1Very high11 Ų1184.9 Ų84.96%0.05643%0.433CS..EExtended strand (participates in β ladder)trans-98.5137.6173.8-169.1169.1000110.6E162 L165 P166 K167 M168 Q184 V185E162-I203 HydrophobicContact CB-CD1 3.84Å; E162-I203 HydrophobicContact CG-CD1 4.39Å; L165-I203 HydrophobicContact CB-CB 4.11Å; L165-I203 HydrophobicContact CB-CG2 3.82Å; L165-I203 HydrophobicContact CD1-CB 4.26Å; P166-I203 PolarHBondContact O-N 3.03Å; K167-I203 CarbonylContact C-O 3.55Å; K167-I203 WeakPolarHBondContact CA-O 3.27Å; K167-I203 HydrophobicContact CG-CG2 4.22Å; M168-I203 PolarHBondContact N-O 3.38Å; Q184-I203 WeakPolarHBondContact O-CA 3.36Å; V185-I203 HydrophobicContact CG2-CB 4.19Å; V185-I203 HydrophobicContact CG2-CD1 4.44Å; V185-I203 HydrophobicContact CG2-CG1 4.11Å
204V97.1Very high94.3Very high1 Ų174.8 Ų74.81%0.00639%0.388CS..EExtended strand (participates in β ladder)trans-81.7133.6177.31800000110.7M168 A170 L180 R181 R182 G183 Q184M168-V204 HydrophobicContact CE-CG2 4Å; M168-V204 WeakPolarHBondContact O-CA 3.32Å; A170-V204 HydrophobicContact CB-CG1 3.99Å; L180-V204 HydrophobicContact CB-CG1 4.49Å; L180-V204 HydrophobicContact CB-CG2 3.79Å; L180-V204 HydrophobicContact CD1-CG2 3.68Å; L180-V204 HydrophobicContact CG-CG2 4.38Å; R181-V204 WeakPolarHBondContact O-CB 3.22Å; R182-V204 WeakPolarHBondContact CA-O 3.44Å; G183-V204 PolarHBondContact N-O 3.45Å; Q184-V204 PolarHBondContact O-N 3.14Å
205L92Very high94.3Very high80 Ų8069.1 Ų69.142%0.41935%0.347SS..  trans-89.30174.5-65.3179.7000113.2K167 M168 R182K167-L205 HydrophobicContact CB-CD1 3.95Å; K167-L205 HydrophobicContact CB-CD2 4.42Å; K167-L205 HydrophobicContact CB-CG 4.01Å; K167-L205 HydrophobicContact CD-CD1 3.87Å; K167-L205 HydrophobicContact CD-CD2 3.9Å; K167-L205 HydrophobicContact CD-CG 4.21Å; K167-L205 HydrophobicContact CG-CD1 4.22Å; K167-L205 HydrophobicContact CG-CD2 3.99Å; K167-L205 HydrophobicContact CG-CG 4.15Å; M168-L205 PolarHBondContact O-N 2.98Å; R182-L205 WeakPolarHBondContact CB-OXT 3.47Å; R182-L205 WeakPolarHBondContact CD-OXT 3.39Å; R182-L205 WeakPolarHBondContact CG-OXT 2.95Å

Retrieved 205 of 205 residues in 65.7 ms (Link to these results)

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