A0A5K4F0G6_SCHMA Loading...

Acyl-coenzyme A thioesterase 8

AlphaFold DB , UniProt , Accession A0A5K4F0G6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 321 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
1M85.5Confident95.4Very high128 Ų12845.4 Ų45.463%0.63122%0.222SC*.  0123.20-170.7179.4-87.600107.6D5 K6 T9 K10M1-D5 HydrophobicContact CG-CB 3.23Å; M1-D5 HydrophobicContact SD-CB 3.98Å; M1-K6 HydrophobicContact CB-CG 4.12Å; M1-K6 HydrophobicContact CG-CG 3.79Å; M1-K6 VanDerWaalsContact O-CE 3.3Å; M1-K6 WeakPolarHBondContact O-CE 3.35Å; M1-K6 HydrophobicContact SD-CB 4.33Å; M1-K6 HydrophobicContact SD-CG 3.72Å; M1-T9 HydrophobicContact CE-CG2 4.34Å; M1-T9 VanDerWaalsContact CE-OG1 3.27Å; M1-T9 WeakPolarHBondContact CE-OG1 3.37Å; M1-T9 PolarHBondContact SD-OG1 2.95Å; M1-K10 HydrophobicContact SD-CG 4.46Å
2N95.7Very high95.6Very high50 Ų5041.6 Ų41.627%0.26720%0.204SC..  trans-72174.1-178.280.115.8000110.6G4 D5 K6 E203 P204N2-G4 PolarHBondContact OD1-N 3.45Å; N2-G4 VanDerWaalsContact OD1-N 3.1Å; N2-D5 WeakPolarHBondContact OD1-CB 3.46Å; N2-D5 VanDerWaalsContact OD1-CG 3.27Å; N2-D5 PolarHBondContact OD1-N 3.16Å; N2-D5 PolarHBondContact OD1-OD2 3.16Å; N2-K6 WeakPolarHBondContact O-CG 3.48Å; N2-K6 PolarHBondContact O-N 3.17Å; N2-E203 VanDerWaalsContact CA-OE2 3.27Å; N2-E203 WeakPolarHBondContact CA-OE2 3.3Å; N2-E203 HydrophobicContact CB-CB 4.36Å; N2-E203 WeakPolarHBondContact CB-OE2 3.42Å; N2-P204 PolarHBondContact ND2-O 2.81Å
3I96.4Very high95.5Very high38 Ų3843.8 Ų43.820%0.19522%0.217CC..Hα-helixtrans-59.9-47.3-178.8-68.3173.6000111.2K6 F7 F28 P173 K202 E203I3-K6 PolarHBondContact O-N 3.43Å; I3-F7 WeakPolarHBondContact O-CB 3.31Å; I3-F7 PolarHBondContact O-N 3.34Å; I3-F28 HydrophobicContact CG2-CE1 4.02Å; I3-F28 HydrophobicContact CG2-CZ 4.03Å; I3-P173 HydrophobicContact CG2-CB 3.69Å; I3-K202 HydrophobicContact CD1-CB 3.94Å; I3-K202 HydrophobicContact CD1-CD 4.36Å; I3-E203 HydrophobicContact CB-CB 4.01Å; I3-E203 HydrophobicContact CB-CG 4.2Å; I3-E203 HydrophobicContact CD1-CG 4.19Å; I3-E203 HydrophobicContact CG1-CG 4.31Å; I3-E203 PolarHBondContact N-OE2 3.5Å
4G97Very high95.4Very high0 Ų041.1 Ų41.10%020%0.203CC..Hα-helixtrans-61.9-45.9-179.500000113.3N2 K6 F7 I8 E203N2-G4 PolarHBondContact OD1-N 3.45Å; N2-G4 VanDerWaalsContact OD1-N 3.1Å; G4-K6 VanDerWaalsContact C-N 3.32Å; G4-K6 PolarHBondContact O-N 3.29Å; G4-F7 WeakPolarHBondContact O-CB 3.48Å; G4-F7 PolarHBondContact O-N 3.5Å; G4-F7 VanDerWaalsContact O-N 3.15Å; G4-I8 WeakPolarHBondContact O-CG1 3.16Å; G4-I8 PolarHBondContact O-N 3.26Å; G4-E203 WeakPolarHBondContact CA-O 3.39Å; G4-E203 PolarHBondContact N-O 3.16Å
5D96.9Very high95.3Very high25 Ų2546.4 Ų46.413%0.13423%0.225CC..Hα-helixtrans-62.7-39.2176.6-69.6-26.6000111.4M1 N2 I8 T9 S206M1-D5 HydrophobicContact CG-CB 3.23Å; M1-D5 HydrophobicContact SD-CB 3.98Å; N2-D5 WeakPolarHBondContact OD1-CB 3.46Å; N2-D5 VanDerWaalsContact OD1-CG 3.27Å; N2-D5 PolarHBondContact OD1-N 3.16Å; N2-D5 PolarHBondContact OD1-OD2 3.16Å; D5-I8 PolarHBondContact O-N 3.45Å; D5-T9 WeakPolarHBondContact O-CB 3.3Å; D5-T9 WeakPolarHBondContact O-CG2 3.44Å; D5-T9 PolarHBondContact O-N 3.47Å; D5-T9 PolarHBondContact O-OG1 3.1Å; D5-S206 VanDerWaalsContact OD1-CB 3.27Å; D5-S206 WeakPolarHBondContact OD1-CB 3.38Å; D5-S206 PolarHBondContact OD1-N 3.21Å; D5-S206 PolarHBondContact OD1-OG 3.17Å
6K96.9Very high95.4Very high93 Ų9350.4 Ų50.440%0.40425%0.247SC..Hα-helixtrans-64.7-42.5173.7-75.9176.6-179.5174.40110.8M1 N2 I3 G4 I8 K10 L11 V27 F28M1-K6 HydrophobicContact CB-CG 4.12Å; M1-K6 HydrophobicContact CG-CG 3.79Å; M1-K6 VanDerWaalsContact O-CE 3.3Å; M1-K6 WeakPolarHBondContact O-CE 3.35Å; M1-K6 HydrophobicContact SD-CB 4.33Å; M1-K6 HydrophobicContact SD-CG 3.72Å; N2-K6 WeakPolarHBondContact O-CG 3.48Å; N2-K6 PolarHBondContact O-N 3.17Å; I3-K6 PolarHBondContact O-N 3.43Å; G4-K6 VanDerWaalsContact C-N 3.32Å; G4-K6 PolarHBondContact O-N 3.29Å; K6-I8 VanDerWaalsContact C-N 3.31Å; K6-I8 PolarHBondContact O-N 2.8Å; K6-K10 WeakPolarHBondContact O-CA 3.24Å; K6-K10 WeakPolarHBondContact O-CB 3.46Å; K6-K10 PolarHBondContact O-N 3.09Å; K6-L11 PolarHBondContact O-N 2.79Å; K6-V27 HydrophobicContact CB-CG1 4.13Å; K6-F28 HydrophobicContact CB-CZ 4.18Å
7F97Very high95.4Very high0 Ų052.1 Ų52.10%025%0.254CS..Iπ-helixtrans-58.1-44.1176.9-176.6-92.3000111.4I3 G4 L11 L12 F28 P173 L201 F216 Y219I3-F7 WeakPolarHBondContact O-CB 3.31Å; I3-F7 PolarHBondContact O-N 3.34Å; G4-F7 WeakPolarHBondContact O-CB 3.48Å; G4-F7 PolarHBondContact O-N 3.5Å; G4-F7 VanDerWaalsContact O-N 3.15Å; F7-L11 HydrophobicContact CD2-CD1 4.22Å; F7-L11 HydrophobicContact CE2-CD1 4.29Å; F7-L11 HydrophobicContact CE2-CD2 4.31Å; F7-L11 VanDerWaalsContact O-CB 3.28Å; F7-L11 WeakPolarHBondContact O-CB 3.39Å; F7-L11 PolarHBondContact O-N 2.99Å; F7-L12 HydrophobicContact CD1-CD1 4.07Å; F7-L12 HydrophobicContact CD1-CG 4.42Å; F7-L12 HydrophobicContact CE1-CD1 3.5Å; F7-L12 VanDerWaalsContact CE1-CD1 3.5Å; F7-L12 HydrophobicContact CE1-CG 4.03Å; F7-L12 HydrophobicContact CZ-CD1 4.17Å; F7-L12 HydrophobicContact CZ-CG 4.41Å; F7-L12 PolarHBondContact O-N 2.86Å; F7-L12 VanDerWaalsContact O-N 3.09Å; F7-F28 HydrophobicContact CB-CE2 3.92Å; F7-F28 HydrophobicContact CB-CZ 4.21Å; F7-F28 HydrophobicContact CD2-CD2 4.35Å; F7-F28 AromaticContact CD2-CE2 3.82Å; F7-F28 HydrophobicContact CD2-CE2 3.82Å; F7-F28 HydrophobicContact CG-CE2 4.37Å; F7-P173 HydrophobicContact CD2-CB 4.26Å; F7-P173 HydrophobicContact CD2-CG 4.04Å; F7-P173 HydrophobicContact CE2-CG 4.34Å; F7-L201 HydrophobicContact CB-CD2 4.19Å; F7-L201 HydrophobicContact CD1-CD1 4.1Å; F7-L201 HydrophobicContact CD1-CD2 4.05Å; F7-L201 HydrophobicContact CD2-CD2 3.96Å; F7-L201 HydrophobicContact CE1-CD2 4.45Å; F7-L201 HydrophobicContact CE2-CD2 4.37Å; F7-L201 HydrophobicContact CG-CD1 4.49Å; F7-L201 HydrophobicContact CG-CD2 3.8Å; F7-F216 HydrophobicContact CE1-CB 4.39Å; F7-F216 AromaticContact CE1-CD2 3.62Å; F7-F216 HydrophobicContact CE1-CD2 3.62Å; F7-F216 HydrophobicContact CE1-CE2 4.38Å; F7-F216 HydrophobicContact CE1-CG 4.42Å; F7-F216 AromaticContact CZ-CD2 3.76Å; F7-F216 HydrophobicContact CZ-CD2 3.76Å; F7-F216 HydrophobicContact CZ-CE2 4.45Å; F7-Y219 AromaticContact CE2-CD1 3.82Å; F7-Y219 HydrophobicContact CE2-CD1 3.82Å; F7-Y219 AromaticContact CE2-CD2 3.77Å; F7-Y219 HydrophobicContact CE2-CD2 3.77Å; F7-Y219 AromaticContact CE2-CE1 3.93Å; F7-Y219 HydrophobicContact CE2-CE1 3.93Å; F7-Y219 AromaticContact CE2-CE2 3.87Å; F7-Y219 HydrophobicContact CE2-CE2 3.87Å; F7-Y219 AromaticContact CE2-CG 3.76Å; F7-Y219 HydrophobicContact CE2-CG 3.76Å; F7-Y219 AromaticContact CE2-CZ 3.97Å; F7-Y219 HydrophobicContact CZ-CD1 4.07Å; F7-Y219 HydrophobicContact CZ-CD2 4.09Å; F7-Y219 AromaticContact CZ-CG 3.79Å; F7-Y219 HydrophobicContact CZ-CG 3.79Å
8I96.4Very high95.3Very high2 Ų255.5 Ų55.51%0.0126%0.264CS..Iπ-helixtrans-72.7-61176.5-57.4-53.7000111.8G4 D5 K6 K10 L12 D13 P205 L209 Y212G4-I8 WeakPolarHBondContact O-CG1 3.16Å; G4-I8 PolarHBondContact O-N 3.26Å; D5-I8 PolarHBondContact O-N 3.45Å; K6-I8 VanDerWaalsContact C-N 3.31Å; K6-I8 PolarHBondContact O-N 2.8Å; I8-K10 PolarHBondContact O-N 3.29Å; I8-L12 HydrophobicContact CD1-CD1 4.01Å; I8-L12 PolarHBondContact O-N 2.63Å; I8-D13 WeakPolarHBondContact O-CB 3.36Å; I8-D13 PolarHBondContact O-N 3.34Å; I8-P205 HydrophobicContact CG1-CB 3.85Å; I8-P205 HydrophobicContact CG1-CG 4.32Å; I8-L209 HydrophobicContact CD1-CD2 3.45Å; I8-L209 VanDerWaalsContact CD1-CD2 3.45Å; I8-L209 HydrophobicContact CG1-CD2 4.28Å; I8-Y212 HydrophobicContact CD1-CD2 4.19Å; I8-Y212 HydrophobicContact CD1-CG 4.11Å; I8-Y212 HydrophobicContact CG2-CD1 4.36Å; I8-Y212 HydrophobicContact CG2-CD2 3.71Å; I8-Y212 HydrophobicContact CG2-CE1 4.07Å; I8-Y212 HydrophobicContact CG2-CE2 3.38Å; I8-Y212 HydrophobicContact CG2-CG 4.19Å
9T95.8Very high95.4Very high53 Ų5360.8 Ų60.833%0.32529%0.288SS..Iπ-helixtrans-79.1-19.5-165.464.10000114.5M1 D5M1-T9 HydrophobicContact CE-CG2 4.34Å; M1-T9 VanDerWaalsContact CE-OG1 3.27Å; M1-T9 WeakPolarHBondContact CE-OG1 3.37Å; M1-T9 PolarHBondContact SD-OG1 2.95Å; D5-T9 WeakPolarHBondContact O-CB 3.3Å; D5-T9 WeakPolarHBondContact O-CG2 3.44Å; D5-T9 PolarHBondContact O-N 3.47Å; D5-T9 PolarHBondContact O-OG1 3.1Å
10K95.5Very high95.5Very high110 Ų11059.6 Ų59.648%0.47828%0.284SS..Iπ-helixtrans-108.6-40-179.9-55.7-63.3-175.9-177.10112.2M1 K6 I8 E25 V27M1-K10 HydrophobicContact SD-CG 4.46Å; K6-K10 WeakPolarHBondContact O-CA 3.24Å; K6-K10 WeakPolarHBondContact O-CB 3.46Å; K6-K10 PolarHBondContact O-N 3.09Å; I8-K10 PolarHBondContact O-N 3.29Å; K10-E25 WeakPolarHBondContact O-CB 3.33Å; K10-V27 HydrophobicContact CB-CG1 4.27Å; K10-V27 HydrophobicContact CB-CG2 3.47Å; K10-V27 VanDerWaalsContact CB-CG2 3.47Å
11L96.3Very high95.6Very high0 Ų057.2 Ų57.20%027%0.273CS..Iπ-helixtrans-90-50.3-175.8-172.9157.8000112K6 F7 V27 F28 E39 Q43 Y219K6-L11 PolarHBondContact O-N 2.79Å; F7-L11 HydrophobicContact CD2-CD1 4.22Å; F7-L11 HydrophobicContact CE2-CD1 4.29Å; F7-L11 HydrophobicContact CE2-CD2 4.31Å; F7-L11 VanDerWaalsContact O-CB 3.28Å; F7-L11 WeakPolarHBondContact O-CB 3.39Å; F7-L11 PolarHBondContact O-N 2.99Å; L11-V27 HydrophobicContact CB-CB 4.2Å; L11-V27 HydrophobicContact CB-CG2 3.81Å; L11-V27 HydrophobicContact CD1-CB 4.43Å; L11-F28 HydrophobicContact CD1-CD2 3.66Å; L11-F28 HydrophobicContact CD1-CE2 4.11Å; L11-E39 HydrophobicContact CD1-CG 4.09Å; L11-E39 HydrophobicContact CD2-CG 4.4Å; L11-E39 HydrophobicContact CG-CG 4.27Å; L11-Q43 HydrophobicContact CD2-CG 4.34Å; L11-Q43 PolarHBondContact O-NE2 3.02Å; L11-Y219 HydrophobicContact CD1-CE2 3.97Å; L11-Y219 HydrophobicContact CD2-CD2 4.42Å
12L97.2Very high96.2Very high0 Ų051.6 Ų51.60%025%0.245CC..Iπ-helixtrans-90.2-36.3-174.8-64-173.6000114.5F7 I8 M14 A42 M46 Y212 A215F7-L12 HydrophobicContact CD1-CD1 4.07Å; F7-L12 HydrophobicContact CD1-CG 4.42Å; F7-L12 HydrophobicContact CE1-CD1 3.5Å; F7-L12 VanDerWaalsContact CE1-CD1 3.5Å; F7-L12 HydrophobicContact CE1-CG 4.03Å; F7-L12 HydrophobicContact CZ-CD1 4.17Å; F7-L12 HydrophobicContact CZ-CG 4.41Å; F7-L12 PolarHBondContact O-N 2.86Å; F7-L12 VanDerWaalsContact O-N 3.09Å; I8-L12 HydrophobicContact CD1-CD1 4.01Å; I8-L12 PolarHBondContact O-N 2.63Å; L12-M14 PolarHBondContact O-N 3.09Å; L12-A42 HydrophobicContact CD2-CB 3.74Å; L12-M46 HydrophobicContact CB-CG 4.15Å; L12-M46 HydrophobicContact CD2-CG 4.14Å; L12-M46 WeakPolarHBondContact O-CG 3.35Å; L12-Y212 HydrophobicContact CB-CD1 3.81Å; L12-Y212 HydrophobicContact CB-CE1 4.26Å; L12-Y212 HydrophobicContact CD1-CD1 4.17Å; L12-Y212 HydrophobicContact CD1-CG 4.33Å; L12-A215 HydrophobicContact CD1-CB 4.29Å; L12-A215 HydrophobicContact CD2-CB 3.94Å
13D95.3Very high96.2Very high71 Ų7151.9 Ų51.938%0.3824%0.243SC..SBendtrans-80.971.1179-168.119.3000111.8I8 K50 Y212I8-D13 WeakPolarHBondContact O-CB 3.36Å; I8-D13 PolarHBondContact O-N 3.34Å; D13-K50 IonicContact OD1-NZ 2.78Å; D13-K50 PolarHBondContact OD1-NZ 3.12Å; D13-Y212 HydrophobicContact CB-CE1 4.31Å
14M94.1Very high96.1Very high5 Ų550.1 Ų50.13%0.02523%0.233CC..PPolyproline II helixtrans-64.5143.6-173.8-63.6169.973.500113.2L12 F22 R23 Q43 M46 A47 K50 Y77L12-M14 PolarHBondContact O-N 3.09Å; M14-F22 HydrophobicContact CB-CB 4.23Å; M14-F22 HydrophobicContact CE-CB 3.72Å; M14-F22 HydrophobicContact SD-CB 4.49Å; M14-R23 WeakPolarHBondContact CB-O 3.47Å; M14-Q43 HydrophobicContact CE-CB 4.08Å; M14-Q43 VanDerWaalsContact SD-C 3.59Å; M14-Q43 HydrophobicContact SD-CB 3.72Å; M14-Q43 HydrophobicContact SD-CG 4.21Å; M14-M46 HydrophobicContact SD-CB 3.97Å; M14-A47 HydrophobicContact CE-CB 4.14Å; M14-A47 HydrophobicContact SD-CB 4.16Å; M14-K50 PolarHBondContact O-NZ 2.71Å; M14-Y77 HydrophobicContact CE-CD2 3.15Å; M14-Y77 HydrophobicContact CE-CE2 3.66Å; M14-Y77 HydrophobicContact CE-CG 3.73Å
15K92.9Very high95.9Very high121 Ų12152.7 Ų52.753%0.52625%0.245SC..EExtended strand (participates in β ladder)trans-81.3129.3178.8-63.8173.8-168.5150.60111.1Q17 F22 R23 E25K15-Q17 PolarHBondContact O-N 3.37Å; K15-Q17 PolarHBondContact O-NE2 3.19Å; K15-Q17 VanDerWaalsContact O-NE2 3.15Å; K15-F22 WeakPolarHBondContact O-CA 3.39Å; K15-R23 PolarHBondContact N-O 2.98Å; K15-R23 PolarHBondContact O-N 3.34Å; K15-E25 IonicContact NZ-OE1 2.74Å; K15-E25 PolarHBondContact NZ-OE1 3.37Å
16L96.8Very high95.7Very high110 Ų11053.5 Ų53.558%0.57625%0.247SC*.EExtended strand (participates in β ladder)trans-64.5126.4168.5-175.171.3000109.4R18 F22L16-R18 WeakPolarHBondContact CD1-O 3.29Å; L16-F22 HydrophobicContact CB-CD1 4.35Å; L16-F22 HydrophobicContact CB-CE1 4.31Å; L16-F22 HydrophobicContact CD1-CD1 3.91Å; L16-F22 HydrophobicContact CD1-CE1 3.45Å; L16-F22 VanDerWaalsContact CD1-CE1 3.45Å; L16-F22 HydrophobicContact CD1-CE2 4.38Å; L16-F22 HydrophobicContact CD1-CZ 3.72Å; L16-F22 HydrophobicContact CG-CE1 4.48Å
17Q95.4Very high95.5Very high79 Ų7951.1 Ų51.137%0.36924%0.239SC..EExtended strand (participates in β ladder)trans-95.6-46.2175.1-58.6-53.2-62.100110.8K15 V21 R23K15-Q17 PolarHBondContact O-N 3.37Å; K15-Q17 PolarHBondContact O-NE2 3.19Å; K15-Q17 VanDerWaalsContact O-NE2 3.15Å; Q17-V21 HydrophobicContact CB-CG1 4.4Å; Q17-V21 PolarHBondContact N-O 2.84Å; Q17-R23 HydrophobicContact CG-CB 3.76Å
18R95Very high95.4Very high114 Ų11452.1 Ų52.143%0.4324%0.244SC..EExtended strand (participates in β ladder)trans-159.6177.7177.157.3-175.8171.5-159.60.8108.3L16 N20 V21 E102L16-R18 WeakPolarHBondContact CD1-O 3.29Å; R18-N20 PolarHBondContact O-N 3.35Å; R18-N20 VanDerWaalsContact O-N 3.14Å; R18-V21 HydrophobicContact CG-CB 3.69Å; R18-V21 HydrophobicContact CG-CG1 4.48Å; R18-V21 HydrophobicContact CG-CG2 3.88Å; R18-V21 PolarHBondContact N-O 2.82Å; R18-V21 PolarHBondContact O-N 2.74Å; R18-E102 IonicContact CZ-OE1 3.81Å; R18-E102 IonicContact NH1-OE1 2.76Å; R18-E102 PolarHBondContact NH1-OE1 2.99Å; R18-E102 IonicContact NH2-OE1 3.43Å; R18-E102 PolarHBondContact NH2-OE1 2.82Å
19E97.1Very high95.2Very high156 Ų15655 Ų5573%0.72926%0.259SS*.THydrogen-bonded Turntrans-51.1124.1-178-161.4-170.2161.800111.6V21E19-V21 PolarHBondContact O-N 3.31Å; E19-V21 VanDerWaalsContact O-N 3.12Å
20N97.6Very high95Very high37 Ų3752.7 Ų52.720%0.19825%0.245CC..THydrogen-bonded Turntrans59.216-179.7-49.9-49.8000115.9R18 V79 K81R18-N20 PolarHBondContact O-N 3.35Å; R18-N20 VanDerWaalsContact O-N 3.14Å; N20-V79 HydrophobicContact CB-CB 4.23Å; N20-V79 VanDerWaalsContact CB-O 3.28Å; N20-V79 WeakPolarHBondContact CB-O 3.44Å; N20-V79 PolarHBondContact O-N 3.36Å; N20-K81 WeakPolarHBondContact OD1-CE 3.32Å
21V97.4Very high94.6Very high9 Ų949.1 Ų49.16%0.05523%0.231CC..EExtended strand (participates in β ladder)trans-122.8122.8174.2-177.80000110.5Q17 R18 E19 D76 Y77Q17-V21 HydrophobicContact CB-CG1 4.4Å; Q17-V21 PolarHBondContact N-O 2.84Å; R18-V21 HydrophobicContact CG-CB 3.69Å; R18-V21 HydrophobicContact CG-CG1 4.48Å; R18-V21 HydrophobicContact CG-CG2 3.88Å; R18-V21 PolarHBondContact N-O 2.82Å; R18-V21 PolarHBondContact O-N 2.74Å; E19-V21 PolarHBondContact O-N 3.31Å; E19-V21 VanDerWaalsContact O-N 3.12Å; V21-D76 HydrophobicContact CG1-CB 4.08Å; V21-Y77 WeakPolarHBondContact CA-O 3.31Å
22F97.6Very high94.1Very high10 Ų1053.4 Ų53.44%0.04426%0.259CS..EExtended strand (participates in β ladder)trans-124.6140.5-175.3-58.1-94.4000110.7M14 K15 L16 A47 K50 T51 Y77 V79M14-F22 HydrophobicContact CB-CB 4.23Å; M14-F22 HydrophobicContact CE-CB 3.72Å; M14-F22 HydrophobicContact SD-CB 4.49Å; K15-F22 WeakPolarHBondContact O-CA 3.39Å; L16-F22 HydrophobicContact CB-CD1 4.35Å; L16-F22 HydrophobicContact CB-CE1 4.31Å; L16-F22 HydrophobicContact CD1-CD1 3.91Å; L16-F22 HydrophobicContact CD1-CE1 3.45Å; L16-F22 VanDerWaalsContact CD1-CE1 3.45Å; L16-F22 HydrophobicContact CD1-CE2 4.38Å; L16-F22 HydrophobicContact CD1-CZ 3.72Å; L16-F22 HydrophobicContact CG-CE1 4.48Å; F22-A47 HydrophobicContact CB-CB 3.95Å; F22-A47 HydrophobicContact CD2-CB 3.69Å; F22-A47 HydrophobicContact CE2-CB 4.46Å; F22-A47 WeakPolarHBondContact CE2-O 3.49Å; F22-A47 HydrophobicContact CG-CB 4Å; F22-K50 HydrophobicContact CD1-CB 4.44Å; F22-K50 HydrophobicContact CD1-CD 3.81Å; F22-K50 HydrophobicContact CE1-CB 3.55Å; F22-K50 HydrophobicContact CE1-CD 3.55Å; F22-K50 HydrophobicContact CE1-CG 4.15Å; F22-K50 HydrophobicContact CE2-CB 4.45Å; F22-K50 HydrophobicContact CZ-CB 3.55Å; F22-K50 HydrophobicContact CZ-CD 4.42Å; F22-T51 HydrophobicContact CE2-CG2 3.75Å; F22-T51 HydrophobicContact CZ-CG2 3.97Å; F22-Y77 PolarHBondContact N-O 3.4Å; F22-Y77 PolarHBondContact O-N 2.87Å; F22-V79 HydrophobicContact CD2-CG2 4.04Å; F22-V79 HydrophobicContact CE2-CG2 4.05Å
23R95.8Very high93.5Very high57 Ų5762.3 Ų62.322%0.21529%0.292CS..EExtended strand (participates in β ladder)trans-98.8123.3178.9-173.9160.8-68.5170.3-0.1111.3M14 K15 Q17 P74 N75 D76 I98M14-R23 WeakPolarHBondContact CB-O 3.47Å; K15-R23 PolarHBondContact N-O 2.98Å; K15-R23 PolarHBondContact O-N 3.34Å; Q17-R23 HydrophobicContact CG-CB 3.76Å; R23-P74 HydrophobicContact CG-CB 4.2Å; R23-N75 WeakPolarHBondContact CA-O 3.44Å; R23-D76 WeakPolarHBondContact CB-OD1 3.29Å; R23-D76 IonicContact CZ-OD1 2.81Å; R23-D76 IonicContact CZ-OD2 2.83Å; R23-D76 IonicContact NE-OD1 3.57Å; R23-D76 PolarHBondContact NE-OD1 2.96Å; R23-D76 IonicContact NE-OD2 3.28Å; R23-D76 IonicContact NH2-OD1 3.18Å; R23-D76 PolarHBondContact NH2-OD1 3.38Å; R23-D76 IonicContact NH2-OD2 3.24Å; R23-D76 PolarHBondContact NH2-OD2 3.45Å; R23-I98 HydrophobicContact CG-CD1 4.26Å; R23-I98 VanDerWaalsContact NE-CD1 3.26Å
24G93.9Very high93.1Very high0 Ų061.2 Ų61.20%029%0.289CS..EExtended strand (participates in β ladder)trans-94.4115.6172.100000110.7P74 N75G24-P74 WeakPolarHBondContact O-CA 3.21Å; G24-P74 WeakPolarHBondContact O-CB 3.32Å; G24-N75 PolarHBondContact N-O 3.21Å; G24-N75 PolarHBondContact O-N 3.35Å
25E93.7Very high92.8Very high54 Ų5461.5 Ų61.525%0.25229%0.29SS..  trans-77153.2178.4-56.6-75.8-17200110.9K10 K15 V27 Q43K10-E25 WeakPolarHBondContact O-CB 3.33Å; K15-E25 IonicContact NZ-OE1 2.74Å; K15-E25 PolarHBondContact NZ-OE1 3.37Å; E25-V27 HydrophobicContact CB-CG2 4.44Å; E25-Q43 PolarHBondContact O-NE2 2.97Å
26R91.4Very high92.8Very high43 Ų4356.4 Ų56.416%0.16227%0.268CS..  trans-94111.6175.4-52.9-51.7-55.2-67-11.9109.3E39 N70 V71 E73R26-E39 WeakPolarHBondContact CD-OE1 3.5Å; R26-E39 IonicContact CZ-OE1 2.71Å; R26-E39 IonicContact NE-OE1 3.73Å; R26-E39 PolarHBondContact NE-OE1 3.17Å; R26-E39 IonicContact NH2-OE1 2.8Å; R26-N70 PolarHBondContact NH1-O 2.95Å; R26-N70 VanDerWaalsContact NH1-O 3.12Å; R26-V71 VanDerWaalsContact CZ-O 3.3Å; R26-V71 VanDerWaalsContact NH1-CA 3.27Å; R26-V71 PolarHBondContact NH1-O 2.82Å; R26-V71 PolarHBondContact NH2-O 2.9Å; R26-E73 WeakPolarHBondContact CD-O 3.16Å; R26-E73 WeakPolarHBondContact CG-O 3.11Å; R26-E73 PolarHBondContact NH1-O 3.09Å
27V93.5Very high92.6Very high42 Ų4251.5 Ų51.526%0.25524%0.244SC..  trans-112.3-42.6-172.5-174.10000111.8K6 K10 L11 E25K6-V27 HydrophobicContact CB-CG1 4.13Å; K10-V27 HydrophobicContact CB-CG1 4.27Å; K10-V27 HydrophobicContact CB-CG2 3.47Å; K10-V27 VanDerWaalsContact CB-CG2 3.47Å; L11-V27 HydrophobicContact CB-CB 4.2Å; L11-V27 HydrophobicContact CB-CG2 3.81Å; L11-V27 HydrophobicContact CD1-CB 4.43Å; E25-V27 HydrophobicContact CB-CG2 4.44Å
28F94.5Very high92.6Very high22 Ų2247.8 Ų47.810%0.09623%0.226CC..  trans-120.3145179.6-53-75.5000109.3I3 K6 F7 L11 P30 P173I3-F28 HydrophobicContact CG2-CE1 4.02Å; I3-F28 HydrophobicContact CG2-CZ 4.03Å; K6-F28 HydrophobicContact CB-CZ 4.18Å; F7-F28 HydrophobicContact CB-CE2 3.92Å; F7-F28 HydrophobicContact CB-CZ 4.21Å; F7-F28 HydrophobicContact CD2-CD2 4.35Å; F7-F28 AromaticContact CD2-CE2 3.82Å; F7-F28 HydrophobicContact CD2-CE2 3.82Å; F7-F28 HydrophobicContact CG-CE2 4.37Å; L11-F28 HydrophobicContact CD1-CD2 3.66Å; L11-F28 HydrophobicContact CD1-CE2 4.11Å; F28-P30 VanDerWaalsContact C-CD 3.4Å; F28-P30 WeakPolarHBondContact O-CD 3.32Å; F28-P173 HydrophobicContact CB-CG 4.39Å; F28-P173 HydrophobicContact CD1-CB 3.92Å; F28-P173 HydrophobicContact CD1-CG 4.28Å; F28-P173 HydrophobicContact CD2-CB 3.9Å; F28-P173 HydrophobicContact CD2-CG 3.71Å; F28-P173 HydrophobicContact CE1-CB 3.79Å; F28-P173 HydrophobicContact CE2-CB 3.77Å; F28-P173 HydrophobicContact CE2-CG 4.02Å; F28-P173 HydrophobicContact CG-CB 3.98Å; F28-P173 HydrophobicContact CG-CG 3.86Å; F28-P173 HydrophobicContact CZ-CB 3.72Å; F28-P173 HydrophobicContact CZ-CG 4.44Å
29L93.3Very high92.7Very high62 Ų6242.3 Ų42.333%0.32521%0.206SC..  trans-127.862.8-177-64.2175.6000109.7N31 V71 L72 N171L29-N31 PolarHBondContact O-N 3.14Å; L29-N31 VanDerWaalsContact O-N 3.1Å; L29-V71 HydrophobicContact CD2-CB 4.45Å; L29-V71 WeakPolarHBondContact CD2-O 3.43Å; L29-L72 HydrophobicContact CD1-CD2 4.35Å; L29-N171 WeakPolarHBondContact O-CB 3.39Å
30P90.7Very high92.6Very high5 Ų535.3 Ų35.33%0.03217%0.173CC..SBendtrans-59.6-26.1-176.726.9-36.6000112.4F28 Y36 F168F28-P30 VanDerWaalsContact C-CD 3.4Å; F28-P30 WeakPolarHBondContact O-CD 3.32Å; P30-Y36 HydrophobicContact CG-CG 4.15Å; P30-F168 HydrophobicContact CB-CD2 3.66Å; P30-F168 HydrophobicContact CB-CE2 3.55Å; P30-F168 HydrophobicContact CB-CG 4.29Å; P30-F168 HydrophobicContact CB-CZ 4.09Å; P30-F168 HydrophobicContact CG-CE2 4.22Å; P30-F168 WeakPolarHBondContact O-CA 3.4Å
31N87.3Confident92.6Very high34 Ų3433.5 Ų33.518%0.18216%0.163CC..  trans-127.8123.7171.7-171.9-32.1000110.1L29 R33 T34L29-N31 PolarHBondContact O-N 3.14Å; L29-N31 VanDerWaalsContact O-N 3.1Å; N31-R33 PolarHBondContact O-N 2.81Å; N31-R33 PolarHBondContact OD1-N 3.08Å; N31-T34 HydrophobicContact CB-CG2 4.27Å; N31-T34 VanDerWaalsContact O-O 3.11Å
32P84.7Confident92.7Very high90 Ų9033.1 Ų33.158%0.58416%0.161SC*.SBendtrans-74.6-6.1-178.630.4-36.2000113.8V71P32-V71 WeakPolarHBondContact O-CG2 3.44Å
33R84.9Confident92.7Very high187 Ų18732.6 Ų32.671%0.70616%0.159SC*.SBendtrans-110-22.3-175.6-63.2-171.8-65.1-168.5-0.6114.4N31N31-R33 PolarHBondContact O-N 2.81Å; N31-R33 PolarHBondContact OD1-N 3.08Å
34T86.9Confident92.8Very high49 Ų4929.9 Ų29.930%0.30115%0.149SC..SBendtrans-146.7148.8-178.9-170.50000110.5N31N31-T34 HydrophobicContact CB-CG2 4.27Å; N31-T34 VanDerWaalsContact O-O 3.11Å
35I88.9Confident93Very high10 Ų1030 Ų305%0.05115%0.149CC..  trans-64.7140.1170.6-53.1-168000108.2G37 E39 L40 S69 V71 N75I35-G37 PolarHBondContact O-N 3.09Å; I35-E39 HydrophobicContact CG2-CB 4.42Å; I35-L40 HydrophobicContact CD1-CD2 4.33Å; I35-L40 HydrophobicContact CG2-CD1 4.31Å; I35-L40 HydrophobicContact CG2-CD2 3.97Å; I35-L40 HydrophobicContact CG2-CG 3.83Å; I35-S69 VanDerWaalsContact CD1-CB 3.48Å; I35-S69 WeakPolarHBondContact CD1-OG 3.32Å; I35-V71 HydrophobicContact CG1-CG1 4.29Å; I35-N75 WeakPolarHBondContact CD1-ND2 3.41Å
36Y92.1Very high93.3Very high15 Ų1528 Ų286%0.05914%0.14CC..  trans-67.2123.4171179.8-118.3000109.3P30 G38 E39 F168 Y219 D222 A223P30-Y36 HydrophobicContact CG-CG 4.15Å; Y36-G38 PolarHBondContact O-N 2.87Å; Y36-E39 HydrophobicContact CD1-CB 4.34Å; Y36-E39 VanDerWaalsContact O-CB 3.27Å; Y36-E39 WeakPolarHBondContact O-CB 3.44Å; Y36-E39 PolarHBondContact O-N 3.01Å; Y36-F168 HydrophobicContact CD2-CE2 4.24Å; Y36-F168 HydrophobicContact CE2-CE2 4.29Å; Y36-F168 HydrophobicContact CE2-CZ 4.21Å; Y36-Y219 HydrophobicContact CD1-CD2 4.21Å; Y36-Y219 HydrophobicContact CD1-CE1 4.06Å; Y36-Y219 AromaticContact CD1-CE2 3.67Å; Y36-Y219 HydrophobicContact CD1-CE2 3.67Å; Y36-Y219 AromaticContact CD1-CZ 3.57Å; Y36-Y219 AromaticContact CE1-CD1 3.8Å; Y36-Y219 HydrophobicContact CE1-CD1 3.8Å; Y36-Y219 HydrophobicContact CE1-CD2 4.08Å; Y36-Y219 AromaticContact CE1-CE1 3.55Å; Y36-Y219 HydrophobicContact CE1-CE1 3.55Å; Y36-Y219 AromaticContact CE1-CE2 3.86Å; Y36-Y219 HydrophobicContact CE1-CE2 3.86Å; Y36-Y219 HydrophobicContact CE1-CG 4.04Å; Y36-Y219 AromaticContact CE1-CZ 3.56Å; Y36-Y219 WeakPolarHBondContact CE1-O 3.43Å; Y36-Y219 PolarHBondContact OH-O 3.2Å; Y36-D222 WeakPolarHBondContact CD2-OD2 3.25Å; Y36-D222 HydrophobicContact CE1-CB 4.44Å; Y36-D222 HydrophobicContact CE2-CB 3.82Å; Y36-D222 WeakPolarHBondContact CE2-OD2 3.39Å; Y36-A223 WeakPolarHBondContact OH-CA 3.44Å; Y36-A223 PolarHBondContact OH-N 2.69Å
37G93.3Very high93.6Very high7 Ų726 Ų267%0.07213%0.132CC..Hα-helixtrans-62-34-173.100000112.4I35 E39 L40 M41 D222I35-G37 PolarHBondContact O-N 3.09Å; G37-E39 PolarHBondContact O-N 2.82Å; G37-L40 PolarHBondContact O-N 2.9Å; G37-M41 PolarHBondContact O-N 3.34Å; G37-D222 VanDerWaalsContact CA-OD2 3.24Å; G37-D222 WeakPolarHBondContact CA-OD2 3.33Å; G37-D222 PolarHBondContact N-OD2 3.33Å
38G95.7Very high93.8Very high0 Ų024 Ų240%012%0.12CC..Hα-helixtrans-57.5-34172.500000113.6Y36 A42 Y219 D222Y36-G38 PolarHBondContact O-N 2.87Å; G38-A42 WeakPolarHBondContact O-CB 3.29Å; G38-A42 PolarHBondContact O-N 3.18Å; G38-Y219 WeakPolarHBondContact O-CA 3.15Å; G38-D222 VanDerWaalsContact N-CB 3.28Å; G38-D222 PolarHBondContact N-OD2 2.76Å; G38-D222 VanDerWaalsContact N-OD2 3.14Å
39E95.8Very high94Very high0 Ų024.6 Ų24.60%013%0.127CC..Hα-helixtrans-66.6-45.9175.9-173177.810500111.5L11 R26 I35 Y36 G37 M41 A42 Q43 Y219L11-E39 HydrophobicContact CD1-CG 4.09Å; L11-E39 HydrophobicContact CD2-CG 4.4Å; L11-E39 HydrophobicContact CG-CG 4.27Å; R26-E39 WeakPolarHBondContact CD-OE1 3.5Å; R26-E39 IonicContact CZ-OE1 2.71Å; R26-E39 IonicContact NE-OE1 3.73Å; R26-E39 PolarHBondContact NE-OE1 3.17Å; R26-E39 IonicContact NH2-OE1 2.8Å; I35-E39 HydrophobicContact CG2-CB 4.42Å; Y36-E39 HydrophobicContact CD1-CB 4.34Å; Y36-E39 VanDerWaalsContact O-CB 3.27Å; Y36-E39 WeakPolarHBondContact O-CB 3.44Å; Y36-E39 PolarHBondContact O-N 3.01Å; G37-E39 PolarHBondContact O-N 2.82Å; E39-M41 PolarHBondContact O-N 3.21Å; E39-A42 PolarHBondContact O-N 3.36Å; E39-Q43 WeakPolarHBondContact O-CB 3.35Å; E39-Q43 WeakPolarHBondContact O-CG 3.39Å; E39-Q43 PolarHBondContact O-N 3.07Å; E39-Y219 HydrophobicContact CB-CD2 4.33Å; E39-Y219 HydrophobicContact CB-CE2 3.95Å; E39-Y219 HydrophobicContact CG-CE2 4.46Å
40L95.9Very high94.2Very high8 Ų825.5 Ų25.54%0.04213%0.128CC..Hα-helixtrans-61.2-46.3178.6-65.2175.6000111.4I35 G37 A44 F65 Y77 Y109 F110I35-L40 HydrophobicContact CD1-CD2 4.33Å; I35-L40 HydrophobicContact CG2-CD1 4.31Å; I35-L40 HydrophobicContact CG2-CD2 3.97Å; I35-L40 HydrophobicContact CG2-CG 3.83Å; G37-L40 PolarHBondContact O-N 2.9Å; L40-A44 WeakPolarHBondContact O-CB 3.27Å; L40-A44 PolarHBondContact O-N 3.04Å; L40-F65 HydrophobicContact CD1-CD1 4.11Å; L40-F65 HydrophobicContact CD1-CE1 4.11Å; L40-Y77 VanDerWaalsContact CD2-OH 3.3Å; L40-Y77 WeakPolarHBondContact CD2-OH 3.36Å; L40-Y109 HydrophobicContact CD1-CD2 4.39Å; L40-Y109 HydrophobicContact CD1-CE2 3.81Å; L40-Y109 HydrophobicContact CD2-CE2 3.62Å; L40-Y109 WeakPolarHBondContact CD2-OH 3.29Å; L40-Y109 HydrophobicContact CG-CE2 4.36Å; L40-F110 HydrophobicContact CB-CD1 4.43Å; L40-F110 HydrophobicContact CB-CD2 4.14Å; L40-F110 HydrophobicContact CB-CE2 4.2Å; L40-F110 HydrophobicContact CB-CG 4.23Å; L40-F110 HydrophobicContact CB-CZ 4.38Å; L40-F110 HydrophobicContact CD1-CB 4.24Å; L40-F110 HydrophobicContact CD1-CD2 4.25Å; L40-F110 HydrophobicContact CD1-CG 4.34Å
41M98.1Very high94.5Very high0 Ų026 Ų260%013%0.132CC..Hα-helixtrans-64.4-44.8177.7-67.2-173.8-66.300111.9G37 E39 A44 L45 L61 C63 F65 F110 A218 S221 D222 Q244 I246G37-M41 PolarHBondContact O-N 3.34Å; E39-M41 PolarHBondContact O-N 3.21Å; M41-A44 PolarHBondContact O-N 2.99Å; M41-L45 VanDerWaalsContact O-CB 3.32Å; M41-L45 WeakPolarHBondContact O-CB 3.4Å; M41-L45 PolarHBondContact O-N 3.19Å; M41-L61 HydrophobicContact SD-CD1 4.14Å; M41-C63 VanDerWaalsContact SD-SG 3.61Å; M41-F65 HydrophobicContact CG-CZ 4.21Å; M41-F65 HydrophobicContact SD-CZ 4.26Å; M41-F110 HydrophobicContact CG-CE2 3.99Å; M41-F110 HydrophobicContact CG-CZ 3.91Å; M41-A218 HydrophobicContact CB-CB 4.21Å; M41-S221 WeakPolarHBondContact CE-OG 3.46Å; M41-D222 HydrophobicContact CE-CB 4.15Å; M41-Q244 HydrophobicContact SD-CB 4.18Å; M41-Q244 HydrophobicContact SD-CG 4.28Å; M41-I246 HydrophobicContact SD-CD1 4.3Å
42A98.1Very high95Very high0 Ų025.5 Ų25.50%013%0.13CC..Hα-helixtrans-62.4-47.2-179.800000111.8L12 G38 E39 L45 M46 A215 Y219L12-A42 HydrophobicContact CD2-CB 3.74Å; G38-A42 WeakPolarHBondContact O-CB 3.29Å; G38-A42 PolarHBondContact O-N 3.18Å; E39-A42 PolarHBondContact O-N 3.36Å; A42-L45 PolarHBondContact O-N 2.85Å; A42-M46 WeakPolarHBondContact O-CG 3.47Å; A42-M46 PolarHBondContact O-N 2.78Å; A42-A215 HydrophobicContact CB-CB 4.31Å; A42-A215 WeakPolarHBondContact CB-O 3.22Å; A42-Y219 HydrophobicContact CB-CD2 4.35Å
43Q97.9Very high95.5Very high0 Ų024.1 Ų24.10%012%0.122CC..Hα-helixtrans-65-45.6176.5-72.9-178.7-14.700111.5L11 M14 E25 E39 L45 M46 A47 Y77L11-Q43 HydrophobicContact CD2-CG 4.34Å; L11-Q43 PolarHBondContact O-NE2 3.02Å; M14-Q43 HydrophobicContact CE-CB 4.08Å; M14-Q43 VanDerWaalsContact SD-C 3.59Å; M14-Q43 HydrophobicContact SD-CB 3.72Å; M14-Q43 HydrophobicContact SD-CG 4.21Å; E25-Q43 PolarHBondContact O-NE2 2.97Å; E39-Q43 WeakPolarHBondContact O-CB 3.35Å; E39-Q43 WeakPolarHBondContact O-CG 3.39Å; E39-Q43 PolarHBondContact O-N 3.07Å; Q43-L45 VanDerWaalsContact C-N 3.29Å; Q43-L45 PolarHBondContact O-N 3.22Å; Q43-M46 WeakPolarHBondContact O-CB 3.28Å; Q43-M46 PolarHBondContact O-N 3.3Å; Q43-M46 VanDerWaalsContact O-N 3.12Å; Q43-A47 PolarHBondContact O-N 3.3Å; Q43-Y77 HydrophobicContact CB-CE1 4.04Å; Q43-Y77 HydrophobicContact CB-CE2 3.77Å; Q43-Y77 VanDerWaalsContact CB-CZ 3.48Å; Q43-Y77 WeakPolarHBondContact CB-OH 3.47Å; Q43-Y77 PolarHBondContact OE1-OH 3.05Å
44A98.4Very high96Very high0 Ų024.5 Ų24.50%013%0.129CC..Hα-helixtrans-59.2-41.2176.900000112.2L40 M41 A47 A48 Y77 V93 F110 M112L40-A44 WeakPolarHBondContact O-CB 3.27Å; L40-A44 PolarHBondContact O-N 3.04Å; M41-A44 PolarHBondContact O-N 2.99Å; A44-A47 PolarHBondContact O-N 3.43Å; A44-A48 PolarHBondContact O-N 2.77Å; A44-Y77 HydrophobicContact CB-CD1 3.78Å; A44-Y77 HydrophobicContact CB-CE1 3.86Å; A44-V93 HydrophobicContact CB-CB 4.14Å; A44-V93 HydrophobicContact CB-CG1 3.81Å; A44-F110 HydrophobicContact CB-CE1 3.6Å; A44-F110 HydrophobicContact CB-CZ 4.32Å; A44-M112 HydrophobicContact CB-CE 3.6Å; A44-M112 HydrophobicContact CB-SD 3.91Å
45L98.6Very high96.4Very high2 Ų227.5 Ų27.51%0.0114%0.143CC..Hα-helixtrans-66.3-38.3176.4-170.264.4000111.8M41 A42 Q43 A48 S49 P58 L61 M112 C114 F116 D214 F248M41-L45 VanDerWaalsContact O-CB 3.32Å; M41-L45 WeakPolarHBondContact O-CB 3.4Å; M41-L45 PolarHBondContact O-N 3.19Å; A42-L45 PolarHBondContact O-N 2.85Å; Q43-L45 VanDerWaalsContact C-N 3.29Å; Q43-L45 PolarHBondContact O-N 3.22Å; L45-A48 PolarHBondContact O-N 3.22Å; L45-S49 VanDerWaalsContact O-CB 3.26Å; L45-S49 WeakPolarHBondContact O-CB 3.4Å; L45-S49 PolarHBondContact O-N 2.98Å; L45-S49 PolarHBondContact O-OG 2.81Å; L45-P58 HydrophobicContact CD1-CB 4.12Å; L45-P58 HydrophobicContact CD1-CG 4Å; L45-P58 HydrophobicContact CD2-CB 4.35Å; L45-P58 HydrophobicContact CD2-CG 4.16Å; L45-P58 HydrophobicContact CG-CG 4.25Å; L45-L61 HydrophobicContact CB-CD2 4.5Å; L45-L61 HydrophobicContact CD1-CD2 4.29Å; L45-L61 HydrophobicContact CD2-CD2 4.1Å; L45-M112 HydrophobicContact CB-CE 4.37Å; L45-C114 HydrophobicContact CD1-CB 4.18Å; L45-F116 HydrophobicContact CD1-CZ 4.35Å; L45-D214 HydrophobicContact CD2-CB 3.92Å; L45-F248 HydrophobicContact CD2-CE2 4.07Å; L45-F248 HydrophobicContact CD2-CZ 3.76Å
46M98.3Very high96.8Very high12 Ų1228.3 Ų28.36%0.05915%0.146CC..Hα-helixtrans-63.8-44.9173.3-73.4-56.9-57.600112.1L12 M14 A42 Q43 A48 S49 K50 Y212 A215L12-M46 HydrophobicContact CB-CG 4.15Å; L12-M46 HydrophobicContact CD2-CG 4.14Å; L12-M46 WeakPolarHBondContact O-CG 3.35Å; M14-M46 HydrophobicContact SD-CB 3.97Å; A42-M46 WeakPolarHBondContact O-CG 3.47Å; A42-M46 PolarHBondContact O-N 2.78Å; Q43-M46 WeakPolarHBondContact O-CB 3.28Å; Q43-M46 PolarHBondContact O-N 3.3Å; Q43-M46 VanDerWaalsContact O-N 3.12Å; M46-A48 PolarHBondContact O-N 3.29Å; M46-S49 PolarHBondContact O-N 3.17Å; M46-K50 WeakPolarHBondContact O-CG 3.44Å; M46-K50 PolarHBondContact O-N 3.3Å; M46-Y212 HydrophobicContact CE-CD1 3.53Å; M46-Y212 HydrophobicContact CE-CE1 3.56Å; M46-Y212 HydrophobicContact SD-CD1 3.88Å; M46-Y212 HydrophobicContact SD-CE1 4.5Å; M46-A215 HydrophobicContact CG-CB 3.59Å; M46-A215 HydrophobicContact SD-CB 3.6Å
47A98.5Very high97Very high0 Ų030.1 Ų30.10%015%0.153CC..Hα-helixtrans-57.9-48.8175.500000111.3M14 F22 Q43 A44 S49 K50 V79M14-A47 HydrophobicContact CE-CB 4.14Å; M14-A47 HydrophobicContact SD-CB 4.16Å; F22-A47 HydrophobicContact CB-CB 3.95Å; F22-A47 HydrophobicContact CD2-CB 3.69Å; F22-A47 HydrophobicContact CE2-CB 4.46Å; F22-A47 WeakPolarHBondContact CE2-O 3.49Å; F22-A47 HydrophobicContact CG-CB 4Å; Q43-A47 PolarHBondContact O-N 3.3Å; A44-A47 PolarHBondContact O-N 3.43Å; A47-S49 PolarHBondContact O-N 3.07Å; A47-K50 PolarHBondContact O-N 3.01Å; A47-V79 HydrophobicContact CB-CG2 3.86Å
48A98.6Very high97.3Very high0 Ų030.3 Ų30.30%015%0.153CC..Hα-helixtrans-60.4-45.2175.200000112.3A44 L45 M46 K50 T51 R91 V93 C114 F116A44-A48 PolarHBondContact O-N 2.77Å; L45-A48 PolarHBondContact O-N 3.22Å; M46-A48 PolarHBondContact O-N 3.29Å; A48-K50 VanDerWaalsContact C-N 3.25Å; A48-K50 PolarHBondContact O-N 2.89Å; A48-T51 PolarHBondContact O-N 2.92Å; A48-T51 PolarHBondContact O-OG1 3.11Å; A48-R91 HydrophobicContact CB-CB 3.9Å; A48-R91 HydrophobicContact CB-CG 4.05Å; A48-V93 HydrophobicContact CB-CG2 3.74Å; A48-C114 WeakPolarHBondContact CB-SG 3.31Å; A48-F116 HydrophobicContact CB-CE2 3.98Å; A48-F116 HydrophobicContact CB-CZ 3.72Å
49S97.9Very high97.4Very high36 Ų3632.1 Ų32.125%0.25216%0.163SC..Hα-helixtrans-61-32.9-178.5-61.20000112.5L45 M46 A47 T51 V52 F116L45-S49 VanDerWaalsContact O-CB 3.26Å; L45-S49 WeakPolarHBondContact O-CB 3.4Å; L45-S49 PolarHBondContact O-N 2.98Å; L45-S49 PolarHBondContact O-OG 2.81Å; M46-S49 PolarHBondContact O-N 3.17Å; A47-S49 PolarHBondContact O-N 3.07Å; S49-T51 PolarHBondContact O-N 3.23Å; S49-V52 VanDerWaalsContact O-CG2 3.24Å; S49-V52 WeakPolarHBondContact O-CG2 3.17Å; S49-V52 PolarHBondContact O-N 3.32Å; S49-F116 WeakPolarHBondContact OG-CE1 3.35Å
50K97.2Very high97.5Very high80 Ų8032.8 Ų32.835%0.34817%0.167SC..THydrogen-bonded Turntrans-69.1-8175.1-71.8-176.3-179-157.60113.9D13 M14 F22 M46 A47 A48D13-K50 IonicContact OD1-NZ 2.78Å; D13-K50 PolarHBondContact OD1-NZ 3.12Å; M14-K50 PolarHBondContact O-NZ 2.71Å; F22-K50 HydrophobicContact CD1-CB 4.44Å; F22-K50 HydrophobicContact CD1-CD 3.81Å; F22-K50 HydrophobicContact CE1-CB 3.55Å; F22-K50 HydrophobicContact CE1-CD 3.55Å; F22-K50 HydrophobicContact CE1-CG 4.15Å; F22-K50 HydrophobicContact CE2-CB 4.45Å; F22-K50 HydrophobicContact CZ-CB 3.55Å; F22-K50 HydrophobicContact CZ-CD 4.42Å; M46-K50 WeakPolarHBondContact O-CG 3.44Å; M46-K50 PolarHBondContact O-N 3.3Å; A47-K50 PolarHBondContact O-N 3.01Å; A48-K50 VanDerWaalsContact C-N 3.25Å; A48-K50 PolarHBondContact O-N 2.89Å
51T97.9Very high97.7Very high16 Ų1632.4 Ų32.410%0.09817%0.165CC..THydrogen-bonded Turntrans-109.75.3-179.672.60000114.3F22 A48 S49 V79 R91F22-T51 HydrophobicContact CE2-CG2 3.75Å; F22-T51 HydrophobicContact CZ-CG2 3.97Å; A48-T51 PolarHBondContact O-N 2.92Å; A48-T51 PolarHBondContact O-OG1 3.11Å; S49-T51 PolarHBondContact O-N 3.23Å; T51-V79 HydrophobicContact CG2-CB 4.16Å; T51-V79 HydrophobicContact CG2-CG1 3.89Å; T51-V79 HydrophobicContact CG2-CG2 4.38Å; T51-R91 PolarHBondContact O-NH2 3.44Å; T51-R91 WeakPolarHBondContact OG1-CD 3.34Å; T51-R91 PolarHBondContact OG1-NE 3.36Å
52V97.5Very high97.7Very high24 Ų2435.7 Ų35.715%0.14518%0.18CC..SBendtrans-116.6159.8176.3-65.50000110.6S49 F56 C89 R91 F116S49-V52 VanDerWaalsContact O-CG2 3.24Å; S49-V52 WeakPolarHBondContact O-CG2 3.17Å; S49-V52 PolarHBondContact O-N 3.32Å; V52-F56 HydrophobicContact CB-CB 4.43Å; V52-F56 HydrophobicContact CG2-CB 4.39Å; V52-C89 HydrophobicContact CG1-CB 3.87Å; V52-R91 HydrophobicContact CG1-CG 4.44Å; V52-F116 HydrophobicContact CG1-CD2 3.96Å; V52-F116 HydrophobicContact CG1-CE2 4.17Å; V52-F116 HydrophobicContact CG1-CG 4.2Å; V52-F116 HydrophobicContact CG2-CD1 3.87Å; V52-F116 HydrophobicContact CG2-CE1 3.91Å; V52-F116 HydrophobicContact CG2-CG 4.26Å; V52-F116 HydrophobicContact CG2-CZ 4.33Å
53S95.9Very high97.7Very high60 Ų6035.8 Ų35.842%0.4218%0.181SC..  trans-61.7150.1171.2179.50000110.5D55 F56S53-D55 PolarHBondContact O-N 2.88Å; S53-D55 VanDerWaalsContact O-N 3.11Å; S53-D55 PolarHBondContact OG-N 2.96Å; S53-D55 PolarHBondContact OG-OD2 3.46Å; S53-F56 WeakPolarHBondContact O-CB 3.37Å; S53-F56 PolarHBondContact O-N 3.17Å; S53-F56 VanDerWaalsContact O-N 3.07Å
54K94.7Very high97.7Very high196 Ų19642.1 Ų42.185%0.85221%0.206SC*.THydrogen-bonded Turntrans-62.8-14.8176.4-63.8-178.4178.2-179.80113.6F56K54-F56 PolarHBondContact O-N 2.97Å
55D94.8Very high97.6Very high111 Ų11143.9 Ų43.959%0.59421%0.214SC*.THydrogen-bonded Turntrans-74.3-12.7175.8-50.3-52.1000112.9S53 P119S53-D55 PolarHBondContact O-N 2.88Å; S53-D55 VanDerWaalsContact O-N 3.11Å; S53-D55 PolarHBondContact OG-N 2.96Å; S53-D55 PolarHBondContact OG-OD2 3.46Å; D55-P119 WeakPolarHBondContact O-CD 3.35Å
56F97.4Very high97.2Very high27 Ų2748.6 Ų48.612%0.11824%0.236CC..  trans-99.3140-179.9-75.7-99000111V52 S53 K54 C89 F116 T118V52-F56 HydrophobicContact CB-CB 4.43Å; V52-F56 HydrophobicContact CG2-CB 4.39Å; S53-F56 WeakPolarHBondContact O-CB 3.37Å; S53-F56 PolarHBondContact O-N 3.17Å; S53-F56 VanDerWaalsContact O-N 3.07Å; K54-F56 PolarHBondContact O-N 2.97Å; F56-C89 HydrophobicContact CD1-CB 4.26Å; F56-C89 HydrophobicContact CE1-CB 4.33Å; F56-C89 WeakPolarHBondContact CE1-SG 3.49Å; F56-F116 HydrophobicContact CB-CB 3.93Å; F56-F116 HydrophobicContact CD1-CB 4.1Å; F56-F116 HydrophobicContact CG-CB 4.46Å; F56-T118 HydrophobicContact CD1-CG2 3.98Å; F56-T118 HydrophobicContact CD2-CG2 4.08Å; F56-T118 HydrophobicContact CE1-CG2 3.69Å; F56-T118 HydrophobicContact CE2-CG2 3.8Å; F56-T118 HydrophobicContact CG-CG2 4.17Å; F56-T118 HydrophobicContact CZ-CG2 3.6Å
57R97.5Very high96.7Very high53 Ų5353.8 Ų53.820%0.226%0.263CS..EExtended strand (participates in β ladder)trans-120.6142.6174.4-64.2-67.8-177.1146.10.5110.2N59 F116 K117 P119 H210 P251R57-N59 PolarHBondContact O-N 3.08Å; R57-F116 CarbonylContact O-C 3.46Å; R57-F116 WeakPolarHBondContact O-CA 3.24Å; R57-K117 PolarHBondContact N-O 3.14Å; R57-K117 PolarHBondContact O-N 2.98Å; R57-P119 HydrophobicContact CG-CG 4.26Å; R57-H210 PolarHBondContact NH1-O 2.84Å; R57-H210 PolarHBondContact NH2-CE1 3.37Å; R57-H210 VanDerWaalsContact NH2-CE1 3.26Å; R57-H210 PolarHBondContact NH2-NE2 2.95Å; R57-P251 HydrophobicContact CB-CB 3.97Å; R57-P251 HydrophobicContact CG-CB 3.97Å
58P98.3Very high95.7Very high12 Ų1260.6 Ų60.68%0.07829%0.289CS..EExtended strand (participates in β ladder)trans-49131.5168.7-27.234.8000111L45 F116 D214 F248L45-P58 HydrophobicContact CD1-CB 4.12Å; L45-P58 HydrophobicContact CD1-CG 4Å; L45-P58 HydrophobicContact CD2-CB 4.35Å; L45-P58 HydrophobicContact CD2-CG 4.16Å; L45-P58 HydrophobicContact CG-CG 4.25Å; P58-F116 HydrophobicContact CB-CD1 4.47Å; P58-F116 HydrophobicContact CB-CE1 4.47Å; P58-F116 HydrophobicContact CG-CD1 3.95Å; P58-F116 HydrophobicContact CG-CE1 3.71Å; P58-D214 HydrophobicContact CB-CB 4.14Å; P58-D214 WeakPolarHBondContact CD-OD2 3.18Å; P58-D214 HydrophobicContact CG-CB 3.93Å; P58-F248 HydrophobicContact CB-CD2 3.71Å; P58-F248 HydrophobicContact CB-CE2 4Å; P58-F248 HydrophobicContact CB-CG 4.36Å
59N98.1Very high94.4Very high38 Ų3861.3 Ų61.320%0.20329%0.294CS..EExtended strand (participates in β ladder)trans-110.7-27.5167.86772000111.5R57 S115 F116 K117 W247 F248R57-N59 PolarHBondContact O-N 3.08Å; N59-S115 PolarHBondContact N-O 3.12Å; N59-S115 VanDerWaalsContact ND2-C 3.27Å; N59-S115 PolarHBondContact ND2-O 2.78Å; N59-S115 PolarHBondContact ND2-OG 3.39Å; N59-S115 WeakPolarHBondContact OD1-CB 3.39Å; N59-S115 PolarHBondContact OD1-OG 2.9Å; N59-F116 PolarHBondContact ND2-N 2.99Å; N59-K117 HydrophobicContact CB-CB 4.17Å; N59-K117 PolarHBondContact ND2-N 2.77Å; N59-W247 WeakPolarHBondContact O-CA 3.11Å; N59-F248 PolarHBondContact O-N 3.42Å
60S98.7Very high93.7Very high13 Ų1363 Ų639%0.09130%0.3CS..EExtended strand (participates in β ladder)trans-159.8155.3177.451.20000112.6C114 S115 I246S60-C114 WeakPolarHBondContact O-CA 3.37Å; S60-C114 WeakPolarHBondContact O-CB 3.47Å; S60-S115 PolarHBondContact N-O 3.26Å; S60-S115 PolarHBondContact O-N 3.42Å; S60-S115 WeakPolarHBondContact OG-CB 3.27Å; S60-I246 CarbonylContact C-O 3.56Å; S60-I246 WeakPolarHBondContact CA-O 3.49Å
61L98.8Very high93.1Very high0 Ų060 Ų600%029%0.289CS..EExtended strand (participates in β ladder)trans-138.1153.2163.668.283.3000110.9M41 L45 M112 D113 C114 A218 S245 I246 F248M41-L61 HydrophobicContact SD-CD1 4.14Å; L45-L61 HydrophobicContact CB-CD2 4.5Å; L45-L61 HydrophobicContact CD1-CD2 4.29Å; L45-L61 HydrophobicContact CD2-CD2 4.1Å; L61-M112 HydrophobicContact CB-CG 4.07Å; L61-M112 HydrophobicContact CB-SD 3.87Å; L61-M112 HydrophobicContact CD1-CG 4.45Å; L61-M112 HydrophobicContact CD1-SD 4.19Å; L61-M112 HydrophobicContact CD2-SD 3.91Å; L61-M112 HydrophobicContact CG-SD 4.21Å; L61-D113 CarbonylContact C-O 3.57Å; L61-D113 VanDerWaalsContact CA-O 3.32Å; L61-D113 WeakPolarHBondContact CA-O 3.47Å; L61-C114 HydrophobicContact CB-CB 3.86Å; L61-A218 HydrophobicContact CD2-CB 4.23Å; L61-S245 WeakPolarHBondContact O-CA 3.42Å; L61-I246 HydrophobicContact CD1-CB 4.23Å; L61-I246 HydrophobicContact CD1-CD1 4.02Å; L61-I246 HydrophobicContact CD1-CG1 3.98Å; L61-I246 HydrophobicContact CD2-CD1 4.29Å; L61-I246 HydrophobicContact CG-CB 4.07Å; L61-I246 HydrophobicContact CG-CD1 4.33Å; L61-I246 HydrophobicContact CG-CG1 4.32Å; L61-I246 PolarHBondContact N-O 2.86Å; L61-I246 PolarHBondContact O-N 2.74Å; L61-F248 HydrophobicContact CD2-CE2 3.83Å; L61-F248 HydrophobicContact CD2-CZ 3.68Å; L61-F248 HydrophobicContact CG-CE2 4.12Å; L61-F248 HydrophobicContact CG-CZ 4.31Å
62H98.8Very high92.5Very high69 Ų6965.4 Ų65.432%0.31932%0.316SS..EExtended strand (participates in β ladder)trans-140.4126.8177.3-54.2-76.4000108.5M112 D113 Q244 S245 W247H62-M112 CarbonylContact O-C 3.59Å; H62-M112 VanDerWaalsContact O-CA 3.3Å; H62-M112 WeakPolarHBondContact O-CA 3.35Å; H62-D113 PolarHBondContact N-O 2.84Å; H62-D113 PolarHBondContact O-N 3.37Å; H62-Q244 WeakPolarHBondContact CA-O 3.32Å; H62-S245 VanDerWaalsContact ND1-CB 3.3Å; H62-S245 WeakPolarHBondContact ND1-CB 3.5Å; H62-S245 PolarHBondContact ND1-OG 3.25Å; H62-W247 AromaticContact CE1-CE2 3.98Å; H62-W247 AromaticContact CE1-CZ2 3.82Å; H62-W247 AromaticContact CE1-NE1 3.95Å
63C98.5Very high92.1Very high2 Ų267 Ų671%0.01432%0.322CS..EExtended strand (participates in β ladder)trans-136.4157.9-174.771.10000113.8M41 F110 R111 M112 N243 Q244M41-C63 VanDerWaalsContact SD-SG 3.61Å; C63-F110 HydrophobicContact CB-CD2 4.48Å; C63-F110 HydrophobicContact CB-CE2 3.49Å; C63-F110 VanDerWaalsContact CB-CE2 3.49Å; C63-F110 HydrophobicContact CB-CZ 3.63Å; C63-R111 CarbonylContact C-O 3.59Å; C63-R111 WeakPolarHBondContact CA-O 3.28Å; C63-R111 VanDerWaalsContact CB-O 3.29Å; C63-R111 WeakPolarHBondContact CB-O 3.18Å; C63-M112 HydrophobicContact CB-CB 3.88Å; C63-M112 HydrophobicContact CB-CG 4Å; C63-N243 WeakPolarHBondContact O-CA 3.45Å; C63-N243 WeakPolarHBondContact O-CB 3.46Å; C63-Q244 PolarHBondContact N-O 3.22Å; C63-Q244 PolarHBondContact O-N 2.83Å; C63-Q244 VanDerWaalsContact O-N 3.15Å; C63-Q244 PolarHBondContact SG-O 3.14Å
64Y98Very high91.9Very high134 Ų13465.4 Ų65.453%0.52531%0.311SS..EExtended strand (participates in β ladder)trans-124.3137.7169.8-72.7-87.9000110H66 R111 N243Y64-H66 WeakPolarHBondContact CB-CE1 3.33Å; Y64-R111 PolarHBondContact N-O 3.12Å; Y64-R111 PolarHBondContact O-N 3.41Å; Y64-R111 VanDerWaalsContact O-N 3.11Å; Y64-N243 HydrophobicContact CD1-CB 3.65Å; Y64-N243 HydrophobicContact CE1-CB 3.73Å; Y64-N243 HydrophobicContact CG-CB 4.23Å
65F95.2Very high91.8Very high37 Ų3756.1 Ų56.116%0.16227%0.27CS..EExtended strand (participates in β ladder)trans-99.5104.7172.2-57.6-88.5000107.9L40 M41 F110 T241 L242 Q244L40-F65 HydrophobicContact CD1-CD1 4.11Å; L40-F65 HydrophobicContact CD1-CE1 4.11Å; M41-F65 HydrophobicContact CG-CZ 4.21Å; M41-F65 HydrophobicContact SD-CZ 4.26Å; F65-F110 AromaticContact CD1-CD2 3.69Å; F65-F110 HydrophobicContact CD1-CD2 3.69Å; F65-F110 HydrophobicContact CD1-CE2 4.14Å; F65-F110 AromaticContact CE1-CD2 3.69Å; F65-F110 HydrophobicContact CE1-CD2 3.69Å; F65-F110 AromaticContact CE1-CE2 3.69Å; F65-F110 HydrophobicContact CE1-CE2 3.69Å; F65-F110 HydrophobicContact CG-CD2 4.38Å; F65-F110 HydrophobicContact CZ-CD2 4.4Å; F65-F110 HydrophobicContact CZ-CE2 4.02Å; F65-T241 HydrophobicContact CD2-CG2 3.63Å; F65-T241 HydrophobicContact CE2-CG2 3.41Å; F65-T241 VanDerWaalsContact CE2-CG2 3.41Å; F65-T241 HydrophobicContact CZ-CG2 4.39Å; F65-L242 PolarHBondContact N-O 3.42Å; F65-Q244 HydrophobicContact CE2-CB 4.43Å
66H91.7Very high91.8Very high101 Ų10151.6 Ų51.647%0.46825%0.246SC..  trans-89.2-39.1-172.5-61.6-54.3000113Y64 P108 Y109Y64-H66 WeakPolarHBondContact CB-CE1 3.33Å; H66-P108 WeakPolarHBondContact CB-O 3.3Å; H66-P108 PolarHBondContact CD2-O 3.27Å; H66-Y109 WeakPolarHBondContact CA-O 3.27Å; H66-Y109 PolarHBondContact N-O 2.67Å
67D85.9Confident91.8Very high120 Ų12050.3 Ų50.364%0.64224%0.241SC*.SBendtrans-151.7170.1-178.4-155.1-5000112Y109D67-Y109 PolarHBondContact N-O 3.32Å; D67-Y109 VanDerWaalsContact N-O 3.13Å
68R77.7Confident91.8Very high143 Ų14350.2 Ų50.254%0.5424%0.242SC..PPolyproline II helixtrans-81.2120.3174.6-60.6-173.6-170.4168.611.7110Y238R68-Y238 PolarHBondContact NH2-OH 3.11Å
69S72.7Confident91.8Very high15 Ų1550.1 Ų50.111%0.10524%0.241CC..PPolyproline II helixtrans-83.1156.5165.5175.90000111.1I35 V71 N75I35-S69 VanDerWaalsContact CD1-CB 3.48Å; I35-S69 WeakPolarHBondContact CD1-OG 3.32Å; S69-V71 PolarHBondContact O-N 2.98Å; S69-N75 PolarHBondContact OG-OD1 3.16Å
70N81.6Confident91.8Very high72 Ų7251.4 Ų51.439%0.38525%0.25SS..PPolyproline II helixtrans-64.8123.2176.6-176.7-9.9000109.8R26 L72 E73R26-N70 PolarHBondContact NH1-O 2.95Å; R26-N70 VanDerWaalsContact NH1-O 3.12Å; N70-L72 PolarHBondContact O-N 2.89Å; N70-L72 VanDerWaalsContact O-N 3.15Å; N70-L72 PolarHBondContact OD1-N 2.86Å; N70-E73 HydrophobicContact CB-CB 4.21Å; N70-E73 HydrophobicContact CB-CG 4.44Å; N70-E73 VanDerWaalsContact ND2-CD 3.25Å; N70-E73 WeakPolarHBondContact ND2-CG 3.41Å; N70-E73 PolarHBondContact ND2-OE2 3Å; N70-E73 PolarHBondContact O-N 2.9Å
71V85.2Confident91.8Very high18 Ų1855.3 Ų55.311%0.10927%0.266CS..THydrogen-bonded Turntrans-65.9-16.8-179.3-64.30000113.8R26 L29 P32 I35 S69R26-V71 VanDerWaalsContact CZ-O 3.3Å; R26-V71 VanDerWaalsContact NH1-CA 3.27Å; R26-V71 PolarHBondContact NH1-O 2.82Å; R26-V71 PolarHBondContact NH2-O 2.9Å; L29-V71 HydrophobicContact CD2-CB 4.45Å; L29-V71 WeakPolarHBondContact CD2-O 3.43Å; P32-V71 WeakPolarHBondContact O-CG2 3.44Å; I35-V71 HydrophobicContact CG1-CG1 4.29Å; S69-V71 PolarHBondContact O-N 2.98Å
72L85.8Confident91.8Very high129 Ų12959.8 Ų59.868%0.67529%0.289SS*.THydrogen-bonded Turntrans-99.4-11.6-176.6-57.4-177.7000113.7L29 N70L29-L72 HydrophobicContact CD1-CD2 4.35Å; N70-L72 PolarHBondContact O-N 2.89Å; N70-L72 VanDerWaalsContact O-N 3.15Å; N70-L72 PolarHBondContact OD1-N 2.86Å
73E89.1Confident91.7Very high56 Ų5664 Ų6426%0.26230%0.302SS..SBendtrans-108145.1-177.6-68.5176.6142.100110.8R26 N70 N99R26-E73 WeakPolarHBondContact CD-O 3.16Å; R26-E73 WeakPolarHBondContact CG-O 3.11Å; R26-E73 PolarHBondContact NH1-O 3.09Å; N70-E73 HydrophobicContact CB-CB 4.21Å; N70-E73 HydrophobicContact CB-CG 4.44Å; N70-E73 VanDerWaalsContact ND2-CD 3.25Å; N70-E73 WeakPolarHBondContact ND2-CG 3.41Å; N70-E73 PolarHBondContact ND2-OE2 3Å; N70-E73 PolarHBondContact O-N 2.9Å; E73-N99 PolarHBondContact OE1-ND2 3.13Å
74P92.1Very high91.7Very high28 Ų2868.6 Ų68.618%0.18233%0.327CS..  trans-72.2169.4171.86.99.2000110.8R23 G24 I98R23-P74 HydrophobicContact CG-CB 4.2Å; G24-P74 WeakPolarHBondContact O-CA 3.21Å; G24-P74 WeakPolarHBondContact O-CB 3.32Å; P74-I98 HydrophobicContact CB-CD1 3.64Å; P74-I98 HydrophobicContact CG-CD1 3.34Å
75N92.1Very high91.7Very high0 Ų063.4 Ų63.40%031%0.314CS..EExtended strand (participates in β ladder)trans-123.4144.7179.7-55.5-68.9000111R23 G24 I35 S69 Y77 F96 Y109R23-N75 WeakPolarHBondContact CA-O 3.44Å; G24-N75 PolarHBondContact N-O 3.21Å; G24-N75 PolarHBondContact O-N 3.35Å; I35-N75 WeakPolarHBondContact CD1-ND2 3.41Å; S69-N75 PolarHBondContact OG-OD1 3.16Å; N75-Y77 HydrophobicContact CB-CD2 4.49Å; N75-Y77 HydrophobicContact CB-CE2 3.89Å; N75-Y77 WeakPolarHBondContact O-CD2 3.3Å; N75-F96 CarbonylContact C-O 3.6Å; N75-F96 WeakPolarHBondContact CA-O 3.27Å; N75-Y109 HydrophobicContact CB-CE1 4.32Å; N75-Y109 WeakPolarHBondContact CB-OH 3.21Å; N75-Y109 PolarHBondContact ND2-OH 3.35Å; N75-Y109 VanDerWaalsContact ND2-OH 3.12Å; N75-Y109 WeakPolarHBondContact OD1-CE1 3.39Å; N75-Y109 PolarHBondContact OD1-OH 3.24Å
76D94.6Very high91.7Very high17 Ų1772.9 Ų72.99%0.09135%0.349CS..EExtended strand (participates in β ladder)trans-96128.6170-76-18.2000109.5V21 R23 A95 F96V21-D76 HydrophobicContact CG1-CB 4.08Å; R23-D76 WeakPolarHBondContact CB-OD1 3.29Å; R23-D76 IonicContact CZ-OD1 2.81Å; R23-D76 IonicContact CZ-OD2 2.83Å; R23-D76 IonicContact NE-OD1 3.57Å; R23-D76 PolarHBondContact NE-OD1 2.96Å; R23-D76 IonicContact NE-OD2 3.28Å; R23-D76 IonicContact NH2-OD1 3.18Å; R23-D76 PolarHBondContact NH2-OD1 3.38Å; R23-D76 IonicContact NH2-OD2 3.24Å; R23-D76 PolarHBondContact NH2-OD2 3.45Å; D76-A95 WeakPolarHBondContact O-CA 3.35Å; D76-F96 PolarHBondContact N-O 2.95Å; D76-F96 PolarHBondContact O-N 3.38Å
77Y96.9Very high92Very high0 Ų070.3 Ų70.30%034%0.342CS..EExtended strand (participates in β ladder)trans-106.9112.8-178.2-66.5-99.1000108.8M14 V21 F22 L40 Q43 A44 N75 V93 E94 A95M14-Y77 HydrophobicContact CE-CD2 3.15Å; M14-Y77 HydrophobicContact CE-CE2 3.66Å; M14-Y77 HydrophobicContact CE-CG 3.73Å; V21-Y77 WeakPolarHBondContact CA-O 3.31Å; F22-Y77 PolarHBondContact N-O 3.4Å; F22-Y77 PolarHBondContact O-N 2.87Å; L40-Y77 VanDerWaalsContact CD2-OH 3.3Å; L40-Y77 WeakPolarHBondContact CD2-OH 3.36Å; Q43-Y77 HydrophobicContact CB-CE1 4.04Å; Q43-Y77 HydrophobicContact CB-CE2 3.77Å; Q43-Y77 VanDerWaalsContact CB-CZ 3.48Å; Q43-Y77 WeakPolarHBondContact CB-OH 3.47Å; Q43-Y77 PolarHBondContact OE1-OH 3.05Å; A44-Y77 HydrophobicContact CB-CD1 3.78Å; A44-Y77 HydrophobicContact CB-CE1 3.86Å; N75-Y77 HydrophobicContact CB-CD2 4.49Å; N75-Y77 HydrophobicContact CB-CE2 3.89Å; N75-Y77 WeakPolarHBondContact O-CD2 3.3Å; Y77-V93 HydrophobicContact CD1-CG1 3.98Å; Y77-V93 HydrophobicContact CG-CG1 4.47Å; Y77-E94 CarbonylContact C-O 3.58Å; Y77-E94 WeakPolarHBondContact CA-O 3.48Å; Y77-A95 HydrophobicContact CD1-CB 3.7Å; Y77-A95 HydrophobicContact CE1-CB 3.65Å; Y77-A95 HydrophobicContact CG-CB 4.36Å
78H97.3Very high92.6Very high51 Ų5168.4 Ų68.424%0.23633%0.328CS..EExtended strand (participates in β ladder)trans-94.2119.9-178.9-70.8-133.3000108.9V93 E94 F96H78-V93 WeakPolarHBondContact O-CA 3.48Å; H78-E94 PolarHBondContact N-O 3.01Å; H78-E94 PolarHBondContact O-N 2.85Å; H78-F96 HydrophobicContact CB-CD2 4.39Å; H78-F96 HydrophobicContact CB-CE2 4.08Å; H78-F96 AromaticContact CD2-CD2 3.53Å; H78-F96 AromaticContact CG-CD2 3.89Å; H78-F96 AromaticContact CG-CE2 3.89Å; H78-F96 AromaticContact NE2-CD2 3.92Å
79V98.6Very high93.5Very high9 Ų961.8 Ų61.86%0.05530%0.304CS..EExtended strand (participates in β ladder)trans-103.1119.7-177.4-175.60000109.9N20 F22 A47 T51 R91 L92 V93N20-V79 HydrophobicContact CB-CB 4.23Å; N20-V79 VanDerWaalsContact CB-O 3.28Å; N20-V79 WeakPolarHBondContact CB-O 3.44Å; N20-V79 PolarHBondContact O-N 3.36Å; F22-V79 HydrophobicContact CD2-CG2 4.04Å; F22-V79 HydrophobicContact CE2-CG2 4.05Å; A47-V79 HydrophobicContact CB-CG2 3.86Å; T51-V79 HydrophobicContact CG2-CB 4.16Å; T51-V79 HydrophobicContact CG2-CG1 3.89Å; T51-V79 HydrophobicContact CG2-CG2 4.38Å; V79-R91 HydrophobicContact CG1-CB 4.17Å; V79-R91 HydrophobicContact CG1-CG 4.23Å; V79-L92 CarbonylContact C-O 3.49Å; V79-L92 WeakPolarHBondContact CA-O 3.42Å; V79-V93 HydrophobicContact CG2-CG1 4.35Å; V79-V93 HydrophobicContact CG2-CG2 4.25Å
80T98.7Very high94.8Very high65 Ų6564 Ų6440%0.39931%0.313SS..EExtended strand (participates in β ladder)trans-99.2125.2169.5-61.80000109.7L82 R91 L92T80-L82 HydrophobicContact CG2-CD2 3.95Å; T80-L82 PolarHBondContact O-N 3.49Å; T80-R91 WeakPolarHBondContact O-CA 3.37Å; T80-L92 PolarHBondContact N-O 3.06Å; T80-L92 PolarHBondContact O-N 3.27Å
81K98.5Very high95.6Very high95 Ų9560.7 Ų60.741%0.41330%0.295SS..EExtended strand (participates in β ladder)trans-81.6102.3175.1-59.5-176.6-178.1170.40109.7N20N20-K81 WeakPolarHBondContact OD1-CE 3.32Å
82L98.4Very high96.3Very high95 Ų9560.6 Ų60.650%0.49729%0.293SS..EExtended strand (participates in β ladder)trans-82.4-37.1-178.1-63.5179.2000112.6T80 H90 L92T80-L82 HydrophobicContact CG2-CD2 3.95Å; T80-L82 PolarHBondContact O-N 3.49Å; L82-H90 HydrophobicContact CB-CB 4.12Å; L82-H90 PolarHBondContact N-O 3.37Å; L82-H90 VanDerWaalsContact N-O 3.11Å; L82-L92 HydrophobicContact CD1-CB 3.94Å; L82-L92 HydrophobicContact CD2-CB 4.45Å; L82-L92 HydrophobicContact CG-CB 4.17Å
83R97.7Very high96.9Very high156 Ų15654.4 Ų54.459%0.58926%0.261SS*.EExtended strand (participates in β ladder)trans-159.7138.8-179-177177-179.7-174.42.2111.4C89 H90 R91R83-C89 CarbonylContact O-C 3.58Å; R83-C89 VanDerWaalsContact O-CA 3.29Å; R83-C89 WeakPolarHBondContact O-CA 3.47Å; R83-H90 HydrophobicContact CB-CB 4.24Å; R83-H90 PolarHBondContact N-O 2.77Å; R83-H90 PolarHBondContact O-N 2.96Å; R83-R91 PolarHBondContact O-NH1 3.11Å
84D98.1Very high97.2Very high99 Ų9953.8 Ų53.853%0.52926%0.258SS..EExtended strand (participates in β ladder)trans-124100.6167.4-69.9-33.3000108.9C89 R91D84-C89 PolarHBondContact OD1-SG 3.5Å; D84-R91 IonicContact OD1-CZ 2.83Å; D84-R91 IonicContact OD1-NH1 3.91Å; D84-R91 PolarHBondContact OD1-NH1 2.92Å; D84-R91 IonicContact OD1-NH2 2.8Å; D84-R91 PolarHBondContact OD1-NH2 2.63Å; D84-R91 IonicContact OD2-NH2 3.3Å
85G97Very high97.4Very high25 Ų2552.5 Ų52.526%0.25825%0.25SC..  trans-105.6174.7176.400000112S87 F88G85-S87 VanDerWaalsContact C-N 3.34Å; G85-S87 PolarHBondContact O-N 3.02Å; G85-F88 VanDerWaalsContact CA-O 3.27Å; G85-F88 WeakPolarHBondContact CA-O 3.38Å; G85-F88 PolarHBondContact N-O 2.88Å
86R96.2Very high97.4Very high237 Ų23754.6 Ų54.689%0.89426%0.259SS*.SBendtrans-58.1-43.9177.9-179.1-179.4175.4-169.7-2113
87S97.3Very high96.9Very high46 Ų4655.2 Ų55.232%0.32226%0.264SS..SBendtrans-118.5-12.5-173.5-570000113.7G85 K117 T118G85-S87 VanDerWaalsContact C-N 3.34Å; G85-S87 PolarHBondContact O-N 3.02Å; S87-K117 VanDerWaalsContact O-CA 3.26Å; S87-K117 WeakPolarHBondContact O-CA 3.21Å; S87-T118 PolarHBondContact O-N 3.26Å
88F98.3Very high96Very high80 Ų8057.3 Ų57.335%0.35128%0.275SS..EExtended strand (participates in β ladder)trans-134.8138.6179.6-69.9-88.1000112G85 F116 K117G85-F88 VanDerWaalsContact CA-O 3.27Å; G85-F88 WeakPolarHBondContact CA-O 3.38Å; G85-F88 PolarHBondContact N-O 2.88Å; F88-F116 CarbonylContact C-O 3.59Å; F88-F116 VanDerWaalsContact CA-O 3.23Å; F88-F116 WeakPolarHBondContact CA-O 3.39Å; F88-K117 HydrophobicContact CD1-CB 4.05Å; F88-K117 HydrophobicContact CD1-CG 4.08Å; F88-K117 HydrophobicContact CE1-CB 3.83Å; F88-K117 HydrophobicContact CE1-CD 3.74Å; F88-K117 HydrophobicContact CE1-CG 3.59Å; F88-K117 HydrophobicContact CE2-CG 4.36Å; F88-K117 HydrophobicContact CZ-CB 4.49Å; F88-K117 HydrophobicContact CZ-CD 3.67Å; F88-K117 HydrophobicContact CZ-CG 3.75Å
89C98.5Very high94.5Very high5 Ų560.5 Ų60.53%0.03429%0.294CS..EExtended strand (participates in β ladder)trans-123.3146.2168.3-64.70000109.7V52 F56 R83 D84 S115 F116V52-C89 HydrophobicContact CG1-CB 3.87Å; F56-C89 HydrophobicContact CD1-CB 4.26Å; F56-C89 HydrophobicContact CE1-CB 4.33Å; F56-C89 WeakPolarHBondContact CE1-SG 3.49Å; R83-C89 CarbonylContact O-C 3.58Å; R83-C89 VanDerWaalsContact O-CA 3.29Å; R83-C89 WeakPolarHBondContact O-CA 3.47Å; D84-C89 PolarHBondContact OD1-SG 3.5Å; C89-S115 WeakPolarHBondContact O-CA 3.13Å; C89-F116 HydrophobicContact CB-CB 4.28Å; C89-F116 PolarHBondContact N-O 3.15Å; C89-F116 PolarHBondContact O-N 3.47Å
90H98.7Very high92.6Very high61 Ų6166.2 Ų66.228%0.28232%0.318SS..EExtended strand (participates in β ladder)trans-126.1136.7177.9-65.7-92000110.7L82 R83 C114 S115L82-H90 HydrophobicContact CB-CB 4.12Å; L82-H90 PolarHBondContact N-O 3.37Å; L82-H90 VanDerWaalsContact N-O 3.11Å; R83-H90 HydrophobicContact CB-CB 4.24Å; R83-H90 PolarHBondContact N-O 2.77Å; R83-H90 PolarHBondContact O-N 2.96Å; H90-C114 WeakPolarHBondContact CA-O 3.42Å; H90-S115 PolarHBondContact CE1-OG 3.01Å
91R98.8Very high90.5Very high2 Ų265.8 Ų65.81%0.00832%0.317CS..EExtended strand (participates in β ladder)trans-130.8140.3177.3-59.4-62.5-179.9-98.96.5109.8A48 T51 V52 V79 T80 R83 D84 D113 C114 F116A48-R91 HydrophobicContact CB-CB 3.9Å; A48-R91 HydrophobicContact CB-CG 4.05Å; T51-R91 PolarHBondContact O-NH2 3.44Å; T51-R91 WeakPolarHBondContact OG1-CD 3.34Å; T51-R91 PolarHBondContact OG1-NE 3.36Å; V52-R91 HydrophobicContact CG1-CG 4.44Å; V79-R91 HydrophobicContact CG1-CB 4.17Å; V79-R91 HydrophobicContact CG1-CG 4.23Å; T80-R91 WeakPolarHBondContact O-CA 3.37Å; R83-R91 PolarHBondContact O-NH1 3.11Å; D84-R91 IonicContact OD1-CZ 2.83Å; D84-R91 IonicContact OD1-NH1 3.91Å; D84-R91 PolarHBondContact OD1-NH1 2.92Å; D84-R91 IonicContact OD1-NH2 2.8Å; D84-R91 PolarHBondContact OD1-NH2 2.63Å; D84-R91 IonicContact OD2-NH2 3.3Å; R91-D113 WeakPolarHBondContact O-CA 3.21Å; R91-C114 PolarHBondContact N-O 3.1Å; R91-C114 PolarHBondContact O-N 3.45Å; R91-F116 HydrophobicContact CB-CE2 4.35Å; R91-F116 HydrophobicContact CG-CD2 4.45Å; R91-F116 HydrophobicContact CG-CE2 3.85Å
92L98.8Very high88.5Confident16 Ų1668.3 Ų68.38%0.08433%0.33CS..EExtended strand (participates in β ladder)trans-103.2133162.8166.666.1000107.4V79 T80 L82 E94 R111 M112V79-L92 CarbonylContact C-O 3.49Å; V79-L92 WeakPolarHBondContact CA-O 3.42Å; T80-L92 PolarHBondContact N-O 3.06Å; T80-L92 PolarHBondContact O-N 3.27Å; L82-L92 HydrophobicContact CD1-CB 3.94Å; L82-L92 HydrophobicContact CD2-CB 4.45Å; L82-L92 HydrophobicContact CG-CB 4.17Å; L92-E94 HydrophobicContact CD1-CG 4.24Å; L92-E94 HydrophobicContact CG-CG 4.27Å; L92-R111 HydrophobicContact CD1-CG 3.58Å; L92-M112 CarbonylContact C-O 3.56Å
93V98.6Very high86.6Confident0 Ų068.7 Ų68.70%034%0.341CS..EExtended strand (participates in β ladder)trans-124.2126.7176.4-167.90000109.3A44 A48 Y77 H78 V79 R111 M112A44-V93 HydrophobicContact CB-CB 4.14Å; A44-V93 HydrophobicContact CB-CG1 3.81Å; A48-V93 HydrophobicContact CB-CG2 3.74Å; Y77-V93 HydrophobicContact CD1-CG1 3.98Å; Y77-V93 HydrophobicContact CG-CG1 4.47Å; H78-V93 WeakPolarHBondContact O-CA 3.48Å; V79-V93 HydrophobicContact CG2-CG1 4.35Å; V79-V93 HydrophobicContact CG2-CG2 4.25Å; V93-R111 CarbonylContact O-C 3.59Å; V93-R111 WeakPolarHBondContact O-CA 3.36Å; V93-M112 HydrophobicContact CB-CE 4.25Å; V93-M112 HydrophobicContact CG2-CE 3.9Å; V93-M112 PolarHBondContact N-O 2.88Å; V93-M112 PolarHBondContact O-N 2.85Å
94E97.2Very high84.8Confident43 Ų4365.4 Ų65.420%0.20134%0.335CS..EExtended strand (participates in β ladder)trans-121.9135.7178-68.1177.6129.700108.9Y77 H78 L92 F96 P108 R111Y77-E94 CarbonylContact C-O 3.58Å; Y77-E94 WeakPolarHBondContact CA-O 3.48Å; H78-E94 PolarHBondContact N-O 3.01Å; H78-E94 PolarHBondContact O-N 2.85Å; L92-E94 HydrophobicContact CD1-CG 4.24Å; L92-E94 HydrophobicContact CG-CG 4.27Å; E94-F96 HydrophobicContact CB-CD2 4.46Å; E94-F96 HydrophobicContact CB-CE2 3.55Å; E94-F96 HydrophobicContact CB-CZ 3.98Å; E94-P108 HydrophobicContact CB-CB 3.99Å; E94-P108 HydrophobicContact CB-CG 4.38Å; E94-P108 HydrophobicContact CG-CB 4.41Å; E94-P108 HydrophobicContact CG-CG 4.3Å; E94-R111 HydrophobicContact CG-CB 4.47Å; E94-R111 HydrophobicContact CG-CG 4.15Å
95A95Very high82.8Confident0 Ų069.6 Ų69.60%036%0.356CS..EExtended strand (participates in β ladder)trans-111.5133.9-17600000111.7D76 Y77 Y109 F110D76-A95 WeakPolarHBondContact O-CA 3.35Å; Y77-A95 HydrophobicContact CD1-CB 3.7Å; Y77-A95 HydrophobicContact CE1-CB 3.65Å; Y77-A95 HydrophobicContact CG-CB 4.36Å; A95-Y109 HydrophobicContact CB-CE1 3.94Å; A95-Y109 HydrophobicContact CB-CE2 4.05Å; A95-Y109 VanDerWaalsContact CB-CZ 3.45Å; A95-Y109 WeakPolarHBondContact CB-OH 3.38Å; A95-Y109 WeakPolarHBondContact O-CD1 3.16Å; A95-Y109 WeakPolarHBondContact O-CE1 3.02Å; A95-Y109 PolarHBondContact O-N 3.42Å; A95-F110 HydrophobicContact CB-CB 4.19Å; A95-F110 HydrophobicContact CB-CD1 4.1Å; A95-F110 PolarHBondContact N-O 3.46Å
96F92Very high81.7Confident44 Ų4471.1 Ų71.119%0.19336%0.358CS..EExtended strand (participates in β ladder)trans-131.3149.8-173.7-60.7-90000111.2N75 D76 H78 E94 P108N75-F96 CarbonylContact C-O 3.6Å; N75-F96 WeakPolarHBondContact CA-O 3.27Å; D76-F96 PolarHBondContact N-O 2.95Å; D76-F96 PolarHBondContact O-N 3.38Å; H78-F96 HydrophobicContact CB-CD2 4.39Å; H78-F96 HydrophobicContact CB-CE2 4.08Å; H78-F96 AromaticContact CD2-CD2 3.53Å; H78-F96 AromaticContact CG-CD2 3.89Å; H78-F96 AromaticContact CG-CE2 3.89Å; H78-F96 AromaticContact NE2-CD2 3.92Å; E94-F96 HydrophobicContact CB-CD2 4.46Å; E94-F96 HydrophobicContact CB-CE2 3.55Å; E94-F96 HydrophobicContact CB-CZ 3.98Å; F96-P108 HydrophobicContact CD1-CB 4.45Å; F96-P108 HydrophobicContact CE1-CB 3.9Å; F96-P108 HydrophobicContact CE2-CB 4.39Å; F96-P108 HydrophobicContact CZ-CB 3.86Å; F96-P108 HydrophobicContact CZ-CG 4.4Å
97P83.9Confident81.2Confident31 Ų3163.6 Ų63.620%0.20135%0.347CS..EExtended strand (participates in β ladder)trans-70.8147.9171.930.6-34.3000111.3N99 K100P97-N99 PolarHBondContact O-N 2.85Å; P97-K100 HydrophobicContact CG-CB 4.47Å; P97-K100 HydrophobicContact CG-CD 4.05Å; P97-K100 HydrophobicContact CG-CG 4.2Å
98I78.7Confident80.9Confident44 Ų4462.4 Ų62.423%0.22634%0.338CS..THydrogen-bonded Turntrans-64.8-38.1-177.5-65.4178.2000113.3R23 P74 K100R23-I98 HydrophobicContact CG-CD1 4.26Å; R23-I98 VanDerWaalsContact NE-CD1 3.26Å; P74-I98 HydrophobicContact CB-CD1 3.64Å; P74-I98 HydrophobicContact CG-CD1 3.34Å; I98-K100 PolarHBondContact O-N 2.94Å
99N65.6Low80.5Confident118 Ų11859.1 Ų59.163%0.63132%0.323SS*.THydrogen-bonded Turntrans-94.323.3-163.9-71.8-29.1000114.7E73 P97E73-N99 PolarHBondContact OE1-ND2 3.13Å; P97-N99 PolarHBondContact O-N 2.85Å
100K59.8Low80.4Confident129 Ų12958.9 Ų58.956%0.56132%0.322SS*.SBendtrans-121.5136.6175.9-61.9-170178.1-178.40110.5P97 I98 I106P97-K100 HydrophobicContact CG-CB 4.47Å; P97-K100 HydrophobicContact CG-CD 4.05Å; P97-K100 HydrophobicContact CG-CG 4.2Å; I98-K100 PolarHBondContact O-N 2.94Å; K100-I106 HydrophobicContact CB-CD1 3.33Å; K100-I106 HydrophobicContact CD-CD1 3.42Å; K100-I106 VanDerWaalsContact CD-CD1 3.42Å; K100-I106 HydrophobicContact CD-CG1 4.48Å; K100-I106 HydrophobicContact CG-CD1 3.99Å
101S54.2Low80.4Confident55 Ų5560.5 Ų60.539%0.38533%0.325SS..  trans-65.7147-172.882.40000110.5S103 D104S101-S103 PolarHBondContact O-N 2.96Å; S101-S103 VanDerWaalsContact O-N 3.09Å; S101-S103 PolarHBondContact OG-N 2.92Å; S101-S103 PolarHBondContact OG-OG 2.92Å; S101-D104 PolarHBondContact N-OD2 3.25Å; S101-D104 PolarHBondContact O-N 3.03Å; S101-D104 PolarHBondContact OG-N 3.03Å; S101-D104 PolarHBondContact OG-OD2 2.88Å
102E56.3Low80.3Confident148 Ų14860.4 Ų60.469%0.69233%0.325SS*.THydrogen-bonded Turntrans-58.7-18.9169.9-71.9177.7-178.800112.7R18 D104R18-E102 IonicContact CZ-OE1 3.81Å; R18-E102 IonicContact NH1-OE1 2.76Å; R18-E102 PolarHBondContact NH1-OE1 2.99Å; R18-E102 IonicContact NH2-OE1 3.43Å; R18-E102 PolarHBondContact NH2-OE1 2.82Å; E102-D104 VanDerWaalsContact C-N 3.31Å
103S58.5Low80.3Confident103 Ų10362.3 Ų62.372%0.7234%0.335SS*.THydrogen-bonded Turntrans-77.8-16177.8730000113.7S101 L105S101-S103 PolarHBondContact O-N 2.96Å; S101-S103 VanDerWaalsContact O-N 3.09Å; S101-S103 PolarHBondContact OG-N 2.92Å; S101-S103 PolarHBondContact OG-OG 2.92Å; S103-L105 PolarHBondContact O-N 2.77Å
104D59.3Low80.3Confident87 Ų8762.5 Ų62.547%0.46534%0.336SS..SBendtrans-82.3112.8168.8-60.7-55.9000107.1S101 E102 I106S101-D104 PolarHBondContact N-OD2 3.25Å; S101-D104 PolarHBondContact O-N 3.03Å; S101-D104 PolarHBondContact OG-N 3.03Å; S101-D104 PolarHBondContact OG-OD2 2.88Å; E102-D104 VanDerWaalsContact C-N 3.31Å; D104-I106 HydrophobicContact CB-CD1 3.36Å; D104-I106 HydrophobicContact CB-CG1 3.57Å; D104-I106 PolarHBondContact O-N 2.66Å
105L56.8Low80.4Confident187 Ų18760.9 Ų60.998%0.97933%0.33SS*.  trans-6371.4170.7-73.6167000110.1S103S103-L105 PolarHBondContact O-N 2.77Å
106I73.6Confident80.6Confident57 Ų5761 Ų6129%0.29233%0.33SS..PPolyproline II helixtrans-91.6127.8-176.2-65.2158000107.9K100 D104K100-I106 HydrophobicContact CB-CD1 3.33Å; K100-I106 HydrophobicContact CD-CD1 3.42Å; K100-I106 VanDerWaalsContact CD-CD1 3.42Å; K100-I106 HydrophobicContact CD-CG1 4.48Å; K100-I106 HydrophobicContact CG-CD1 3.99Å; D104-I106 HydrophobicContact CB-CD1 3.36Å; D104-I106 HydrophobicContact CB-CG1 3.57Å; D104-I106 PolarHBondContact O-N 2.66Å
107A85.1Confident80.9Confident79 Ų7961.4 Ų61.465%0.65333%0.332SS*.PPolyproline II helixtrans-63.4137.6170.500000109.9Y109A107-Y109 PolarHBondContact O-N 3.48Å
108P91.2Very high81.5Confident22 Ų2261.3 Ų61.314%0.14333%0.331CS..PPolyproline II helixtrans-61.5138.5171.727.7-34.2000109.4H66 E94 F96 F110H66-P108 WeakPolarHBondContact CB-O 3.3Å; H66-P108 PolarHBondContact CD2-O 3.27Å; E94-P108 HydrophobicContact CB-CB 3.99Å; E94-P108 HydrophobicContact CB-CG 4.38Å; E94-P108 HydrophobicContact CG-CB 4.41Å; E94-P108 HydrophobicContact CG-CG 4.3Å; F96-P108 HydrophobicContact CD1-CB 4.45Å; F96-P108 HydrophobicContact CE1-CB 3.9Å; F96-P108 HydrophobicContact CE2-CB 4.39Å; F96-P108 HydrophobicContact CZ-CB 3.86Å; F96-P108 HydrophobicContact CZ-CG 4.4Å; P108-F110 PolarHBondContact O-N 3.06Å
109Y90.6Very high82.1Confident11 Ų1163.3 Ų63.34%0.04335%0.347CS..SBendtrans-78.9-16176.967.9-97.3000111.5L40 H66 D67 N75 A95 A107L40-Y109 HydrophobicContact CD1-CD2 4.39Å; L40-Y109 HydrophobicContact CD1-CE2 3.81Å; L40-Y109 HydrophobicContact CD2-CE2 3.62Å; L40-Y109 WeakPolarHBondContact CD2-OH 3.29Å; L40-Y109 HydrophobicContact CG-CE2 4.36Å; H66-Y109 WeakPolarHBondContact CA-O 3.27Å; H66-Y109 PolarHBondContact N-O 2.67Å; D67-Y109 PolarHBondContact N-O 3.32Å; D67-Y109 VanDerWaalsContact N-O 3.13Å; N75-Y109 HydrophobicContact CB-CE1 4.32Å; N75-Y109 WeakPolarHBondContact CB-OH 3.21Å; N75-Y109 PolarHBondContact ND2-OH 3.35Å; N75-Y109 VanDerWaalsContact ND2-OH 3.12Å; N75-Y109 WeakPolarHBondContact OD1-CE1 3.39Å; N75-Y109 PolarHBondContact OD1-OH 3.24Å; A95-Y109 HydrophobicContact CB-CE1 3.94Å; A95-Y109 HydrophobicContact CB-CE2 4.05Å; A95-Y109 VanDerWaalsContact CB-CZ 3.45Å; A95-Y109 WeakPolarHBondContact CB-OH 3.38Å; A95-Y109 WeakPolarHBondContact O-CD1 3.16Å; A95-Y109 WeakPolarHBondContact O-CE1 3.02Å; A95-Y109 PolarHBondContact O-N 3.42Å; A107-Y109 PolarHBondContact O-N 3.48Å
110F95.6Very high83.4Confident0 Ų064 Ų640%035%0.346CS..EExtended strand (participates in β ladder)trans-145.5137.8177.4170.5-93000109.9L40 M41 A44 C63 F65 A95 P108 M112L40-F110 HydrophobicContact CB-CD1 4.43Å; L40-F110 HydrophobicContact CB-CD2 4.14Å; L40-F110 HydrophobicContact CB-CE2 4.2Å; L40-F110 HydrophobicContact CB-CG 4.23Å; L40-F110 HydrophobicContact CB-CZ 4.38Å; L40-F110 HydrophobicContact CD1-CB 4.24Å; L40-F110 HydrophobicContact CD1-CD2 4.25Å; L40-F110 HydrophobicContact CD1-CG 4.34Å; M41-F110 HydrophobicContact CG-CE2 3.99Å; M41-F110 HydrophobicContact CG-CZ 3.91Å; A44-F110 HydrophobicContact CB-CE1 3.6Å; A44-F110 HydrophobicContact CB-CZ 4.32Å; C63-F110 HydrophobicContact CB-CD2 4.48Å; C63-F110 HydrophobicContact CB-CE2 3.49Å; C63-F110 VanDerWaalsContact CB-CE2 3.49Å; C63-F110 HydrophobicContact CB-CZ 3.63Å; F65-F110 AromaticContact CD1-CD2 3.69Å; F65-F110 HydrophobicContact CD1-CD2 3.69Å; F65-F110 HydrophobicContact CD1-CE2 4.14Å; F65-F110 AromaticContact CE1-CD2 3.69Å; F65-F110 HydrophobicContact CE1-CD2 3.69Å; F65-F110 AromaticContact CE1-CE2 3.69Å; F65-F110 HydrophobicContact CE1-CE2 3.69Å; F65-F110 HydrophobicContact CG-CD2 4.38Å; F65-F110 HydrophobicContact CZ-CD2 4.4Å; F65-F110 HydrophobicContact CZ-CE2 4.02Å; A95-F110 HydrophobicContact CB-CB 4.19Å; A95-F110 HydrophobicContact CB-CD1 4.1Å; A95-F110 PolarHBondContact N-O 3.46Å; P108-F110 PolarHBondContact O-N 3.06Å; F110-M112 HydrophobicContact CE1-CB 3.62Å; F110-M112 HydrophobicContact CZ-CB 3.67Å; F110-M112 HydrophobicContact CZ-CG 4.38Å; F110-M112 HydrophobicContact CZ-SD 4.43Å
111R97.8Very high84.8Confident95 Ų9567.7 Ų67.736%0.35836%0.363SS..EExtended strand (participates in β ladder)trans-134.3137.7175.9177.1175163.6158.73.6109.9C63 Y64 L92 V93 E94 D113C63-R111 CarbonylContact C-O 3.59Å; C63-R111 WeakPolarHBondContact CA-O 3.28Å; C63-R111 VanDerWaalsContact CB-O 3.29Å; C63-R111 WeakPolarHBondContact CB-O 3.18Å; Y64-R111 PolarHBondContact N-O 3.12Å; Y64-R111 PolarHBondContact O-N 3.41Å; Y64-R111 VanDerWaalsContact O-N 3.11Å; L92-R111 HydrophobicContact CD1-CG 3.58Å; V93-R111 CarbonylContact O-C 3.59Å; V93-R111 WeakPolarHBondContact O-CA 3.36Å; E94-R111 HydrophobicContact CG-CB 4.47Å; E94-R111 HydrophobicContact CG-CG 4.15Å; R111-D113 IonicContact NE-OD2 3.77Å; R111-D113 IonicContact NH2-OD2 2.9Å
112M98.7Very high86.6Confident0 Ų069.8 Ų69.80%037%0.369CS..EExtended strand (participates in β ladder)trans-138.3128.3177.5-176.8-171.277.800111.3A44 L45 L61 H62 C63 L92 V93 F110 C114A44-M112 HydrophobicContact CB-CE 3.6Å; A44-M112 HydrophobicContact CB-SD 3.91Å; L45-M112 HydrophobicContact CB-CE 4.37Å; L61-M112 HydrophobicContact CB-CG 4.07Å; L61-M112 HydrophobicContact CB-SD 3.87Å; L61-M112 HydrophobicContact CD1-CG 4.45Å; L61-M112 HydrophobicContact CD1-SD 4.19Å; L61-M112 HydrophobicContact CD2-SD 3.91Å; L61-M112 HydrophobicContact CG-SD 4.21Å; H62-M112 CarbonylContact O-C 3.59Å; H62-M112 VanDerWaalsContact O-CA 3.3Å; H62-M112 WeakPolarHBondContact O-CA 3.35Å; C63-M112 HydrophobicContact CB-CB 3.88Å; C63-M112 HydrophobicContact CB-CG 4Å; L92-M112 CarbonylContact C-O 3.56Å; V93-M112 HydrophobicContact CB-CE 4.25Å; V93-M112 HydrophobicContact CG2-CE 3.9Å; V93-M112 PolarHBondContact N-O 2.88Å; V93-M112 PolarHBondContact O-N 2.85Å; F110-M112 HydrophobicContact CE1-CB 3.62Å; F110-M112 HydrophobicContact CZ-CB 3.67Å; F110-M112 HydrophobicContact CZ-CG 4.38Å; F110-M112 HydrophobicContact CZ-SD 4.43Å; M112-C114 HydrophobicContact CE-CB 3.91Å
113D98.7Very high88.2Confident55 Ų5568.9 Ų68.929%0.29438%0.377SS..EExtended strand (participates in β ladder)trans-95.5133.2163.5-79.4-88.5000108.4L61 H62 R91 R111L61-D113 CarbonylContact C-O 3.57Å; L61-D113 VanDerWaalsContact CA-O 3.32Å; L61-D113 WeakPolarHBondContact CA-O 3.47Å; H62-D113 PolarHBondContact N-O 2.84Å; H62-D113 PolarHBondContact O-N 3.37Å; R91-D113 WeakPolarHBondContact O-CA 3.21Å; R111-D113 IonicContact NE-OD2 3.77Å; R111-D113 IonicContact NH2-OD2 2.9Å
114C98.6Very high89.8Confident4 Ų467.7 Ų67.73%0.02737%0.373CS..EExtended strand (participates in β ladder)trans-136.7146.8175.864.50000112.6L45 A48 S60 L61 H90 R91 M112 F116L45-C114 HydrophobicContact CD1-CB 4.18Å; A48-C114 WeakPolarHBondContact CB-SG 3.31Å; S60-C114 WeakPolarHBondContact O-CA 3.37Å; S60-C114 WeakPolarHBondContact O-CB 3.47Å; L61-C114 HydrophobicContact CB-CB 3.86Å; H90-C114 WeakPolarHBondContact CA-O 3.42Å; R91-C114 PolarHBondContact N-O 3.1Å; R91-C114 PolarHBondContact O-N 3.45Å; M112-C114 HydrophobicContact CE-CB 3.91Å; C114-F116 VanDerWaalsContact SG-CE2 3.54Å
115S98.7Very high91.2Very high10 Ų1069 Ų697%0.0739%0.389CS..EExtended strand (participates in β ladder)trans-116.5138.2-178.9-178.20000109.8N59 S60 C89 H90N59-S115 PolarHBondContact N-O 3.12Å; N59-S115 VanDerWaalsContact ND2-C 3.27Å; N59-S115 PolarHBondContact ND2-O 2.78Å; N59-S115 PolarHBondContact ND2-OG 3.39Å; N59-S115 WeakPolarHBondContact OD1-CB 3.39Å; N59-S115 PolarHBondContact OD1-OG 2.9Å; S60-S115 PolarHBondContact N-O 3.26Å; S60-S115 PolarHBondContact O-N 3.42Å; S60-S115 WeakPolarHBondContact OG-CB 3.27Å; C89-S115 WeakPolarHBondContact O-CA 3.13Å; H90-S115 PolarHBondContact CE1-OG 3.01Å
116F98.7Very high92.8Very high1 Ų168.9 Ų68.90%0.00438%0.381CS..EExtended strand (participates in β ladder)trans-117.7145.2174.8-57.2-102.9000109.9L45 A48 S49 V52 F56 R57 P58 N59 F88 C89 R91 C114L45-F116 HydrophobicContact CD1-CZ 4.35Å; A48-F116 HydrophobicContact CB-CE2 3.98Å; A48-F116 HydrophobicContact CB-CZ 3.72Å; S49-F116 WeakPolarHBondContact OG-CE1 3.35Å; V52-F116 HydrophobicContact CG1-CD2 3.96Å; V52-F116 HydrophobicContact CG1-CE2 4.17Å; V52-F116 HydrophobicContact CG1-CG 4.2Å; V52-F116 HydrophobicContact CG2-CD1 3.87Å; V52-F116 HydrophobicContact CG2-CE1 3.91Å; V52-F116 HydrophobicContact CG2-CG 4.26Å; V52-F116 HydrophobicContact CG2-CZ 4.33Å; F56-F116 HydrophobicContact CB-CB 3.93Å; F56-F116 HydrophobicContact CD1-CB 4.1Å; F56-F116 HydrophobicContact CG-CB 4.46Å; R57-F116 CarbonylContact O-C 3.46Å; R57-F116 WeakPolarHBondContact O-CA 3.24Å; P58-F116 HydrophobicContact CB-CD1 4.47Å; P58-F116 HydrophobicContact CB-CE1 4.47Å; P58-F116 HydrophobicContact CG-CD1 3.95Å; P58-F116 HydrophobicContact CG-CE1 3.71Å; N59-F116 PolarHBondContact ND2-N 2.99Å; F88-F116 CarbonylContact C-O 3.59Å; F88-F116 VanDerWaalsContact CA-O 3.23Å; F88-F116 WeakPolarHBondContact CA-O 3.39Å; C89-F116 HydrophobicContact CB-CB 4.28Å; C89-F116 PolarHBondContact N-O 3.15Å; C89-F116 PolarHBondContact O-N 3.47Å; R91-F116 HydrophobicContact CB-CE2 4.35Å; R91-F116 HydrophobicContact CG-CD2 4.45Å; R91-F116 HydrophobicContact CG-CE2 3.85Å; C114-F116 VanDerWaalsContact SG-CE2 3.54Å
117K98Very high93.6Very high53 Ų5370.1 Ų70.123%0.2339%0.387CS..EExtended strand (participates in β ladder)trans-130.3144.3178.2-169-174.2179.5-79.20110.5R57 N59 S87 F88 E120R57-K117 PolarHBondContact N-O 3.14Å; R57-K117 PolarHBondContact O-N 2.98Å; N59-K117 HydrophobicContact CB-CB 4.17Å; N59-K117 PolarHBondContact ND2-N 2.77Å; S87-K117 VanDerWaalsContact O-CA 3.26Å; S87-K117 WeakPolarHBondContact O-CA 3.21Å; F88-K117 HydrophobicContact CD1-CB 4.05Å; F88-K117 HydrophobicContact CD1-CG 4.08Å; F88-K117 HydrophobicContact CE1-CB 3.83Å; F88-K117 HydrophobicContact CE1-CD 3.74Å; F88-K117 HydrophobicContact CE1-CG 3.59Å; F88-K117 HydrophobicContact CE2-CG 4.36Å; F88-K117 HydrophobicContact CZ-CB 4.49Å; F88-K117 HydrophobicContact CZ-CD 3.67Å; F88-K117 HydrophobicContact CZ-CG 3.75Å; K117-E120 IonicContact NZ-OE2 3.89Å; K117-E120 PolarHBondContact NZ-OE2 2.96Å
118T96.7Very high93.9Very high30 Ų3069.8 Ų69.818%0.18438%0.38CS..  trans-70.9134.8165.455.10000110.3F56 S87F56-T118 HydrophobicContact CD1-CG2 3.98Å; F56-T118 HydrophobicContact CD2-CG2 4.08Å; F56-T118 HydrophobicContact CE1-CG2 3.69Å; F56-T118 HydrophobicContact CE2-CG2 3.8Å; F56-T118 HydrophobicContact CG-CG2 4.17Å; F56-T118 HydrophobicContact CZ-CG2 3.6Å; S87-T118 PolarHBondContact O-N 3.26Å
119P92.6Very high94Very high86 Ų8674 Ų7456%0.55841%0.408SS*.  trans-54.7146.5174.1-25.834.7000112.8D55 R57D55-P119 WeakPolarHBondContact O-CD 3.35Å; R57-P119 HydrophobicContact CG-CG 4.26Å
120E92.2Very high94.2Very high131 Ų13176 Ų7661%0.61242%0.418SS*.  trans-149.9145.2-175.7168.2174.5-164.100109.1K117K117-E120 IonicContact NZ-OE2 3.89Å; K117-E120 PolarHBondContact NZ-OE2 2.96Å
121K89.8Confident94.3Very high208 Ų20877.7 Ų77.790%0.90443%0.429SS*.  trans-94.2131.5169.8-64.5-174.5179.6-176.30108.9
122D90.8Very high94.1Very high98 Ų9882.1 Ų82.152%0.52445%0.454SS..  trans-135.3133.9179.7-166-33.7000109.4A124D122-A124 VanDerWaalsContact C-N 3.26Å; D122-A124 PolarHBondContact O-N 3.26Å; D122-A124 VanDerWaalsContact OD1-CB 3.32Å; D122-A124 WeakPolarHBondContact OD1-CB 3.21Å; D122-A124 PolarHBondContact OD1-N 3.35Å
123P91.3Very high94Very high130 Ų13084 Ų8484%0.84447%0.465SS*.SBendtrans-64.9-26.4171.227.3-37.1000113.8S125P123-S125 PolarHBondContact O-N 3.01Å
124A90.3Very high93.9Very high78 Ų7886.6 Ų86.665%0.64548%0.475SS*.  trans-72.7113.9177.400000109.9D122D122-A124 VanDerWaalsContact C-N 3.26Å; D122-A124 PolarHBondContact O-N 3.26Å; D122-A124 VanDerWaalsContact OD1-CB 3.32Å; D122-A124 WeakPolarHBondContact OD1-CB 3.21Å; D122-A124 PolarHBondContact OD1-N 3.35Å
125S88.4Confident93.7Very high115 Ų11588.6 Ų88.680%0.80449%0.489SS*.  trans-147.7136.817858.10000111P123P123-S125 PolarHBondContact O-N 3.01Å
126F92.1Very high93.6Very high184 Ų18488.8 Ų88.881%0.80749%0.49SS*.  trans-150.1139.5172172.5-97000108.6
127L90.5Very high93.5Very high82 Ų8294.6 Ų94.643%0.42952%0.517SS..  trans-144134.1176.5176.259.5000109.3L288L127-L288 HydrophobicContact CD1-CB 3.51Å; L127-L288 HydrophobicContact CD1-CD2 3.4Å; L127-L288 HydrophobicContact CD1-CG 4.07Å; L127-L288 HydrophobicContact CD2-CB 4.15Å; L127-L288 HydrophobicContact CG-CB 4.48Å
128S89.9Confident93.4Very high72 Ų7299.8 Ų99.850%0.50354%0.54SS..PPolyproline II helixtrans-72.1142.6169.4-64.80000110
129P93.2Very high93.5Very high111 Ų11199.7 Ų99.772%0.72154%0.538SS*.PPolyproline II helixtrans-62.7145.8-177.727-34.8000111.5
130M96.5Very high93.6Very high53 Ų53100.9 Ų100.926%0.26154%0.536SS..PPolyproline II helixtrans-56.6139.2168.3-174.7179.669.500109.7L262 W282M130-L262 HydrophobicContact CG-CD2 3.81Å; M130-L262 HydrophobicContact SD-CD2 3.76Å; M130-W282 HydrophobicContact CB-CG 4.28Å; M130-W282 HydrophobicContact CG-CB 4.09Å; M130-W282 HydrophobicContact CG-CD2 4.03Å; M130-W282 HydrophobicContact CG-CG 3.79Å; M130-W282 HydrophobicContact SD-CB 3.82Å; M130-W282 HydrophobicContact SD-CG 4.18Å
131P95.9Very high93.8Very high35 Ų3597.7 Ų97.723%0.22752%0.523CS..PPolyproline II helixtrans-61.8145.7177.524.7-34.3000111.8V133 L262 W282P131-V133 HydrophobicContact CB-CG1 4.44Å; P131-V133 PolarHBondContact O-N 3.28Å; P131-L262 HydrophobicContact CG-CD2 4.15Å; P131-W282 HydrophobicContact CG-CH2 3.83Å; P131-W282 HydrophobicContact CG-CZ2 4.44Å; P131-W282 HydrophobicContact CG-CZ3 3.91Å
132H95.4Very high94.1Very high189 Ų18988.2 Ų88.288%0.87548%0.482SS*.  trans-80.5103.4175.6-64.588.1000109.4
133V96.5Very high94.2Very high39 Ų3986.9 Ų86.924%0.23648%0.475CS..  trans-122.3163.3176.9-59.50000110.8P131 H196 W198 L262P131-V133 HydrophobicContact CB-CG1 4.44Å; P131-V133 PolarHBondContact O-N 3.28Å; V133-H196 HydrophobicContact CG1-CB 3.89Å; V133-W198 HydrophobicContact CG2-CZ2 3.88Å; V133-L262 HydrophobicContact CG2-CD1 3.83Å; V133-L262 HydrophobicContact CG2-CD2 3.79Å; V133-L262 HydrophobicContact CG2-CG 4.49Å
134Q95.1Very high94.5Very high110 Ų11083.2 Ų83.251%0.51445%0.452SS..  trans-64.1141.8173.2-65.8-172.68400110.5L139 W198Q134-L139 HydrophobicContact CB-CD1 4.42Å; Q134-L139 HydrophobicContact CB-CD2 3.89Å; Q134-L139 HydrophobicContact CB-CG 4.06Å; Q134-W198 PolarHBondContact O-NE1 3.41Å
135S95.1Very high94.8Very high46 Ų4681 Ų8132%0.32243%0.428SS..  trans-63.7145.5171.872.90000109.8E137 K138S135-E137 WeakPolarHBondContact CB-OE2 3.27Å; S135-E137 PolarHBondContact O-N 3.33Å; S135-E137 VanDerWaalsContact O-N 3.13Å; S135-E137 PolarHBondContact OG-OE2 3.26Å; S135-K138 PolarHBondContact O-N 2.92Å
136V96.7Very high95.1Very high14 Ų1476.1 Ų76.19%0.08539%0.392CS..G310 helixtrans-58.7-30.4-175.268.60000112.7K138 L139 V177 W198 W260V136-K138 PolarHBondContact O-N 2.9Å; V136-L139 PolarHBondContact O-N 2.82Å; V136-L139 VanDerWaalsContact O-N 3.11Å; V136-V177 HydrophobicContact CG2-CB 3.84Å; V136-V177 HydrophobicContact CG2-CG1 4.02Å; V136-V177 HydrophobicContact CG2-CG2 3.81Å; V136-W198 HydrophobicContact CB-CB 4.17Å; V136-W198 HydrophobicContact CB-CD2 4.3Å; V136-W198 HydrophobicContact CB-CG 3.85Å; V136-W198 HydrophobicContact CG2-CB 3.95Å; V136-W198 HydrophobicContact CG2-CG 4.15Å; V136-W260 HydrophobicContact CG1-CD2 4.32Å; V136-W260 HydrophobicContact CG1-CG 4.1Å; V136-W260 HydrophobicContact CG2-CD2 4.07Å; V136-W260 HydrophobicContact CG2-CE3 4.32Å; V136-W260 HydrophobicContact CG2-CH2 4.28Å; V136-W260 HydrophobicContact CG2-CZ2 4.05Å; V136-W260 HydrophobicContact CG2-CZ3 4.42Å
137E96.5Very high95.3Very high123 Ų12375.6 Ų75.658%0.57539%0.39SS*.G310 helixtrans-67.5-17.3178.9-5775.6-162.700113.3S135 R284S135-E137 WeakPolarHBondContact CB-OE2 3.27Å; S135-E137 PolarHBondContact O-N 3.33Å; S135-E137 VanDerWaalsContact O-N 3.13Å; S135-E137 PolarHBondContact OG-OE2 3.26Å; E137-R284 IonicContact OE1-CZ 3.56Å; E137-R284 VanDerWaalsContact OE1-CZ 3.3Å; E137-R284 IonicContact OE1-NH1 3.63Å; E137-R284 PolarHBondContact OE1-NH1 2.9Å; E137-R284 IonicContact OE1-NH2 2.64Å; E137-R284 PolarHBondContact OE1-NH2 3.09Å
138K96.8Very high95.6Very high162 Ų16275.4 Ų75.470%0.70440%0.395SS*.G310 helixtrans-96.6-9.8176-66.6-178.9179.8179.70113.1S135 V136S135-K138 PolarHBondContact O-N 2.92Å; V136-K138 PolarHBondContact O-N 2.9Å
139L97.2Very high95.9Very high28 Ų2873.7 Ų73.715%0.14738%0.38CS..SBendtrans-92152.4-178.5-67.4171.5000110.3Q134 V136 V177 C179Q134-L139 HydrophobicContact CB-CD1 4.42Å; Q134-L139 HydrophobicContact CB-CD2 3.89Å; Q134-L139 HydrophobicContact CB-CG 4.06Å; V136-L139 PolarHBondContact O-N 2.82Å; V136-L139 VanDerWaalsContact O-N 3.11Å; L139-V177 HydrophobicContact CB-CG1 3.47Å; L139-V177 VanDerWaalsContact CB-CG1 3.47Å; L139-V177 HydrophobicContact CD1-CG1 3.92Å; L139-V177 HydrophobicContact CG-CG1 4.34Å; L139-C179 HydrophobicContact CD1-CB 4.45Å
140Q96Very high96Very high110 Ų11073 Ų7351%0.51437%0.371SS..PPolyproline II helixtrans-81.4137.9170.4-67.5178.5-28.500109.3
141D96Very high95.8Very high64 Ų6473 Ų7334%0.34237%0.369SS..PPolyproline II helixtrans-64157.9166.171.986.3000110.5N143 S144 Y145D141-N143 VanDerWaalsContact C-N 3.31Å; D141-N143 PolarHBondContact O-N 2.66Å; D141-N143 WeakPolarHBondContact OD1-CB 3.18Å; D141-N143 PolarHBondContact OD1-N 3.36Å; D141-S144 PolarHBondContact O-N 3.06Å; D141-S144 PolarHBondContact OD1-N 3.07Å; D141-S144 PolarHBondContact OD1-OG 3.01Å; D141-S144 WeakPolarHBondContact OD2-CB 3.2Å; D141-S144 PolarHBondContact OD2-OG 3.18Å; D141-Y145 PolarHBondContact O-N 2.72Å
142F94.8Very high95.7Very high9 Ų977.8 Ų77.84%0.03939%0.393CS..Hα-helixtrans-56.5-42.3-175.4177-94.9000113.3Y145 V146 V162 Y165 Q166 F178 L185F142-Y145 PolarHBondContact O-N 2.87Å; F142-V146 HydrophobicContact CD1-CG2 4.17Å; F142-V146 HydrophobicContact CD2-CG2 4.37Å; F142-V146 HydrophobicContact CE1-CG2 3.57Å; F142-V146 HydrophobicContact CE2-CG2 3.85Å; F142-V146 HydrophobicContact CZ-CG2 3.4Å; F142-V146 VanDerWaalsContact CZ-CG2 3.4Å; F142-V146 WeakPolarHBondContact O-CG2 3.43Å; F142-V146 PolarHBondContact O-N 2.84Å; F142-V162 HydrophobicContact CZ-CG1 4.36Å; F142-Y165 HydrophobicContact CB-CE1 4.1Å; F142-Y165 AromaticContact CD1-CD1 3.66Å; F142-Y165 HydrophobicContact CD1-CD1 3.66Å; F142-Y165 AromaticContact CD1-CE1 3.77Å; F142-Y165 HydrophobicContact CD1-CE1 3.77Å; F142-Y165 AromaticContact CD2-CD1 3.57Å; F142-Y165 HydrophobicContact CD2-CD1 3.57Å; F142-Y165 AromaticContact CD2-CE1 3.67Å; F142-Y165 HydrophobicContact CD2-CE1 3.67Å; F142-Y165 AromaticContact CE1-CD1 3.51Å; F142-Y165 HydrophobicContact CE1-CD1 3.51Å; F142-Y165 HydrophobicContact CE1-CE1 4.13Å; F142-Y165 AromaticContact CE2-CD1 3.39Å; F142-Y165 HydrophobicContact CE2-CD1 3.39Å; F142-Y165 AromaticContact CE2-CE1 4Å; F142-Y165 HydrophobicContact CE2-CE1 4Å; F142-Y165 HydrophobicContact CE2-CG 4.08Å; F142-Y165 AromaticContact CG-CD1 3.69Å; F142-Y165 HydrophobicContact CG-CD1 3.69Å; F142-Y165 AromaticContact CG-CE1 3.53Å; F142-Y165 HydrophobicContact CG-CE1 3.53Å; F142-Y165 AromaticContact CZ-CD1 3.36Å; F142-Y165 HydrophobicContact CZ-CD1 3.36Å; F142-Y165 HydrophobicContact CZ-CE1 4.23Å; F142-Y165 HydrophobicContact CZ-CG 4.11Å; F142-Q166 HydrophobicContact CE1-CG 3.66Å; F142-Q166 HydrophobicContact CZ-CG 4.33Å; F142-F178 AromaticContact CD2-CD2 3.95Å; F142-F178 HydrophobicContact CD2-CD2 3.95Å; F142-F178 AromaticContact CD2-CE2 3.73Å; F142-F178 HydrophobicContact CD2-CE2 3.73Å; F142-F178 HydrophobicContact CE2-CE2 4.31Å; F142-L185 HydrophobicContact CE2-CD1 4.21Å; F142-L185 HydrophobicContact CE2-CD2 4Å; F142-L185 HydrophobicContact CE2-CG 4.48Å; F142-L185 HydrophobicContact CZ-CD2 4.44Å
143N94.3Very high95.7Very high71 Ų7174.7 Ų74.738%0.3838%0.383SS..Hα-helixtrans-69.5-40.3-176.9-72.4-45.1000111.3D141 V146 K147D141-N143 VanDerWaalsContact C-N 3.31Å; D141-N143 PolarHBondContact O-N 2.66Å; D141-N143 WeakPolarHBondContact OD1-CB 3.18Å; D141-N143 PolarHBondContact OD1-N 3.36Å; N143-V146 PolarHBondContact O-N 2.92Å; N143-K147 VanDerWaalsContact O-CG 3.27Å; N143-K147 WeakPolarHBondContact O-CG 3.44Å; N143-K147 PolarHBondContact O-N 2.84Å
144S96.4Very high95.6Very high52 Ų5274 Ų7436%0.36438%0.378SS..Hα-helixtrans-63.5-41.6172.9-64.30000112D141 K147 S148D141-S144 PolarHBondContact O-N 3.06Å; D141-S144 PolarHBondContact OD1-N 3.07Å; D141-S144 PolarHBondContact OD1-OG 3.01Å; D141-S144 WeakPolarHBondContact OD2-CB 3.2Å; D141-S144 PolarHBondContact OD2-OG 3.18Å; S144-K147 PolarHBondContact O-N 3.11Å; S144-S148 PolarHBondContact O-N 2.9Å
145Y96.7Very high95.7Very high33 Ų3372.8 Ų72.813%0.12938%0.38CS..Hα-helixtrans-60.7-49.6175.1-176.8-93000111.5D141 F142 K147 S148 L149 P181 L185 L187D141-Y145 PolarHBondContact O-N 2.72Å; F142-Y145 PolarHBondContact O-N 2.87Å; Y145-K147 VanDerWaalsContact C-N 3.32Å; Y145-K147 PolarHBondContact O-N 2.9Å; Y145-S148 WeakPolarHBondContact O-CB 3.19Å; Y145-S148 PolarHBondContact O-N 2.87Å; Y145-S148 PolarHBondContact O-OG 2.83Å; Y145-L149 HydrophobicContact CD1-CD1 4.3Å; Y145-L149 HydrophobicContact CE1-CD1 4Å; Y145-L149 HydrophobicContact CE1-CD2 4.1Å; Y145-L149 HydrophobicContact CE1-CG 4.32Å; Y145-P181 HydrophobicContact CD1-CB 3.85Å; Y145-P181 HydrophobicContact CD1-CG 4.22Å; Y145-P181 HydrophobicContact CD2-CB 4.16Å; Y145-P181 HydrophobicContact CD2-CG 3.61Å; Y145-P181 HydrophobicContact CE1-CB 3.76Å; Y145-P181 HydrophobicContact CE1-CG 4.06Å; Y145-P181 HydrophobicContact CE2-CB 4.04Å; Y145-P181 HydrophobicContact CE2-CG 3.38Å; Y145-P181 HydrophobicContact CG-CB 4.05Å; Y145-P181 HydrophobicContact CG-CG 4.01Å; Y145-L185 HydrophobicContact CD1-CD1 3.98Å; Y145-L185 HydrophobicContact CE1-CD1 3.73Å; Y145-L187 HydrophobicContact CE1-CD1 4.06Å; Y145-L187 WeakPolarHBondContact OH-CD1 3.15Å
146V95.6Very high95.7Very high11 Ų1176.7 Ų76.77%0.06740%0.397CS..Hα-helixtrans-61.3-38.8179.2170.20000112.1F142 N143 S148 L149 V162F142-V146 HydrophobicContact CD1-CG2 4.17Å; F142-V146 HydrophobicContact CD2-CG2 4.37Å; F142-V146 HydrophobicContact CE1-CG2 3.57Å; F142-V146 HydrophobicContact CE2-CG2 3.85Å; F142-V146 HydrophobicContact CZ-CG2 3.4Å; F142-V146 VanDerWaalsContact CZ-CG2 3.4Å; F142-V146 WeakPolarHBondContact O-CG2 3.43Å; F142-V146 PolarHBondContact O-N 2.84Å; N143-V146 PolarHBondContact O-N 2.92Å; V146-S148 PolarHBondContact O-N 3.03Å; V146-L149 WeakPolarHBondContact O-CB 3.3Å; V146-L149 PolarHBondContact O-N 2.9Å; V146-V162 HydrophobicContact CG1-CG1 3.77Å; V146-V162 HydrophobicContact CG2-CG1 3.88Å; V146-V162 HydrophobicContact CG2-CG2 4.26Å
147K96.2Very high95.6Very high173 Ų17377.2 Ų77.275%0.75240%0.4SS*.Hα-helixtrans-63.6-23.2175.3-75.2170.9-176.8173.90113.5N143 S144 Y145 L149N143-K147 VanDerWaalsContact O-CG 3.27Å; N143-K147 WeakPolarHBondContact O-CG 3.44Å; N143-K147 PolarHBondContact O-N 2.84Å; S144-K147 PolarHBondContact O-N 3.11Å; Y145-K147 VanDerWaalsContact C-N 3.32Å; Y145-K147 PolarHBondContact O-N 2.9Å; K147-L149 VanDerWaalsContact C-N 3.28Å
148S96.3Very high95.6Very high78 Ų7871.7 Ų71.755%0.54538%0.375SS..THydrogen-bonded Turntrans-79-11.7175.2800000113.4S144 Y145 V146S144-S148 PolarHBondContact O-N 2.9Å; Y145-S148 WeakPolarHBondContact O-CB 3.19Å; Y145-S148 PolarHBondContact O-N 2.87Å; Y145-S148 PolarHBondContact O-OG 2.83Å; V146-S148 PolarHBondContact O-N 3.03Å
149L96Very high95.6Very high36 Ų3669.3 Ų69.319%0.18836%0.361CS..SBendtrans-87.8146.9178-53.7177.1000110.8Y145 V146 K147 F151 L154 L185 L187Y145-L149 HydrophobicContact CD1-CD1 4.3Å; Y145-L149 HydrophobicContact CE1-CD1 4Å; Y145-L149 HydrophobicContact CE1-CD2 4.1Å; Y145-L149 HydrophobicContact CE1-CG 4.32Å; V146-L149 WeakPolarHBondContact O-CB 3.3Å; V146-L149 PolarHBondContact O-N 2.9Å; K147-L149 VanDerWaalsContact C-N 3.28Å; L149-F151 VanDerWaalsContact C-N 3.26Å; L149-F151 PolarHBondContact O-N 3.37Å; L149-L154 HydrophobicContact CB-CD1 4.43Å; L149-L154 HydrophobicContact CD1-CD1 4.16Å; L149-L185 HydrophobicContact CD1-CD1 4.4Å; L149-L187 HydrophobicContact CD1-CD1 4.09Å; L149-L187 HydrophobicContact CD2-CD1 3.93Å
150D95Very high95.5Very high97 Ų9771.1 Ų71.152%0.51937%0.374SS..  trans-77.178.8166.2-174.8-1.8000109.9D152 N153 L154D150-D152 PolarHBondContact O-N 2.88Å; D150-N153 PolarHBondContact O-N 3.46Å; D150-N153 VanDerWaalsContact O-N 3.11Å; D150-N153 PolarHBondContact OD1-ND2 3.4Å; D150-N153 WeakPolarHBondContact OD2-CB 3.29Å; D150-N153 PolarHBondContact OD2-ND2 2.83Å; D150-L154 PolarHBondContact O-N 2.86Å
151F92.9Very high95.5Very high52 Ų5266.7 Ų66.723%0.22835%0.352CS..G310 helixtrans-58-35-170.1-173.8-97.5000113.5L149 N153 L154 R159 V162 L163L149-F151 VanDerWaalsContact C-N 3.26Å; L149-F151 PolarHBondContact O-N 3.37Å; F151-N153 VanDerWaalsContact C-N 3.28Å; F151-N153 PolarHBondContact O-N 2.85Å; F151-L154 HydrophobicContact CD2-CD1 3.84Å; F151-L154 HydrophobicContact CE2-CD1 4.45Å; F151-L154 PolarHBondContact O-N 3.02Å; F151-R159 HydrophobicContact CE1-CG 4.32Å; F151-R159 HydrophobicContact CE2-CG 4.15Å; F151-R159 HydrophobicContact CZ-CG 3.81Å; F151-V162 HydrophobicContact CD2-CG1 4.23Å; F151-V162 HydrophobicContact CE2-CB 4.02Å; F151-V162 HydrophobicContact CE2-CG1 3.63Å; F151-L163 HydrophobicContact CZ-CD1 4.47Å; F151-L163 HydrophobicContact CZ-CD2 3.9Å; F151-L163 HydrophobicContact CZ-CG 4.02Å
152D93.2Very high95.5Very high137 Ų13763.6 Ų63.673%0.73334%0.336SS*.G310 helixtrans-70.4-26.4-178.4-70.4-31.6000112.4D150D150-D152 PolarHBondContact O-N 2.88Å
153N95.8Very high95.5Very high124 Ų12467.2 Ų67.266%0.66336%0.355SS*.G310 helixtrans-102.46.1177.6-67.3-50000113.8D150 F151D150-N153 PolarHBondContact O-N 3.46Å; D150-N153 VanDerWaalsContact O-N 3.11Å; D150-N153 PolarHBondContact OD1-ND2 3.4Å; D150-N153 WeakPolarHBondContact OD2-CB 3.29Å; D150-N153 PolarHBondContact OD2-ND2 2.83Å; F151-N153 VanDerWaalsContact C-N 3.28Å; F151-N153 PolarHBondContact O-N 2.85Å
154L95.3Very high95.5Very high23 Ų2367.8 Ų67.812%0.1236%0.356CS..  trans-64.5138.8176.6-78.3-179.7000111.7L149 D150 F151 P158 R159 L187L149-L154 HydrophobicContact CB-CD1 4.43Å; L149-L154 HydrophobicContact CD1-CD1 4.16Å; D150-L154 PolarHBondContact O-N 2.86Å; F151-L154 HydrophobicContact CD2-CD1 3.84Å; F151-L154 HydrophobicContact CE2-CD1 4.45Å; F151-L154 PolarHBondContact O-N 3.02Å; L154-P158 HydrophobicContact CD1-CB 4.48Å; L154-P158 HydrophobicContact CD2-CB 4.38Å; L154-R159 HydrophobicContact CB-CB 4.23Å; L154-L187 HydrophobicContact CD2-CD2 3.65Å
155P96Very high95.4Very high86 Ų8665.5 Ų65.556%0.55834%0.339SS*.  trans-57.8156.6169-21.331.9000111.9V157 P158 R159P155-V157 VanDerWaalsContact C-N 3.28Å; P155-V157 PolarHBondContact O-N 3.32Å; P155-V157 VanDerWaalsContact O-N 3.14Å; P155-P158 WeakPolarHBondContact O-CD 3.49Å; P155-R159 WeakPolarHBondContact O-CB 3.32Å; P155-R159 PolarHBondContact O-N 2.98Å; P155-R159 VanDerWaalsContact O-N 3.08Å
156N95.1Very high95.3Very high127 Ų12767 Ų6768%0.67935%0.347SS*.Hα-helixtrans-54-39.7-173.4-71.7-21.4000114.1T160N156-T160 WeakPolarHBondContact O-CB 3.34Å; N156-T160 PolarHBondContact O-N 3.13Å; N156-T160 PolarHBondContact O-OG1 3.41Å
157V96Very high95.3Very high26 Ų2669.1 Ų69.116%0.15836%0.363CS..Hα-helixtrans-67.6-56.7-177.21710000111.7P155 R159 T160 R161 P233 H235P155-V157 VanDerWaalsContact C-N 3.28Å; P155-V157 PolarHBondContact O-N 3.32Å; P155-V157 VanDerWaalsContact O-N 3.14Å; V157-R159 VanDerWaalsContact C-N 3.32Å; V157-R159 PolarHBondContact O-N 2.9Å; V157-T160 PolarHBondContact O-N 3.28Å; V157-T160 VanDerWaalsContact O-N 3.17Å; V157-R161 PolarHBondContact O-N 3.4Å; V157-P233 HydrophobicContact CG1-CB 4.36Å; V157-H235 HydrophobicContact CG2-CB 4.31Å
158P97Very high95.2Very high7 Ų762.2 Ų62.25%0.04533%0.333CS..Hα-helixtrans-53.3-45.6172.4-27.531.7000114.4L154 P155 T160 R161 V162 L185 G186 L187L154-P158 HydrophobicContact CD1-CB 4.48Å; L154-P158 HydrophobicContact CD2-CB 4.38Å; P155-P158 WeakPolarHBondContact O-CD 3.49Å; P158-T160 VanDerWaalsContact C-N 3.28Å; P158-T160 PolarHBondContact O-N 3.49Å; P158-R161 PolarHBondContact O-N 2.92Å; P158-R161 VanDerWaalsContact O-N 3.17Å; P158-V162 WeakPolarHBondContact O-CG2 3.22Å; P158-V162 PolarHBondContact O-N 2.71Å; P158-L185 WeakPolarHBondContact CA-O 3.34Å; P158-G186 WeakPolarHBondContact CG-O 3.39Å; P158-L187 HydrophobicContact CB-CD2 3.68Å; P158-L187 HydrophobicContact CB-CG 4.3Å; P158-L187 HydrophobicContact CG-CD2 3.83Å; P158-L187 HydrophobicContact CG-CG 4.45Å
159R96.7Very high95.2Very high111 Ų11159.7 Ų59.742%0.41931%0.313SS..Hα-helixtrans-56.9-44.6178.1-169.3-179.4-174.4-151.22.9111.7F151 L154 P155 V157 L163F151-R159 HydrophobicContact CE1-CG 4.32Å; F151-R159 HydrophobicContact CE2-CG 4.15Å; F151-R159 HydrophobicContact CZ-CG 3.81Å; L154-R159 HydrophobicContact CB-CB 4.23Å; P155-R159 WeakPolarHBondContact O-CB 3.32Å; P155-R159 PolarHBondContact O-N 2.98Å; P155-R159 VanDerWaalsContact O-N 3.08Å; V157-R159 VanDerWaalsContact C-N 3.32Å; V157-R159 PolarHBondContact O-N 2.9Å; R159-L163 HydrophobicContact CG-CD1 4.47Å; R159-L163 WeakPolarHBondContact O-CG 3.32Å; R159-L163 PolarHBondContact O-N 2.74Å; R159-L163 VanDerWaalsContact O-N 3.12Å
160T95.1Very high95.1Very high67 Ų6761.5 Ų61.541%0.41133%0.333SS..Hα-helixtrans-65.1-43.4177.9-57.70000111.9N156 V157 P158 L163 H164N156-T160 WeakPolarHBondContact O-CB 3.34Å; N156-T160 PolarHBondContact O-N 3.13Å; N156-T160 PolarHBondContact O-OG1 3.41Å; V157-T160 PolarHBondContact O-N 3.28Å; V157-T160 VanDerWaalsContact O-N 3.17Å; P158-T160 VanDerWaalsContact C-N 3.28Å; P158-T160 PolarHBondContact O-N 3.49Å; T160-L163 PolarHBondContact O-N 2.79Å; T160-H164 WeakPolarHBondContact O-CB 3.5Å; T160-H164 PolarHBondContact O-N 2.92Å
161R95.2Very high95.2Very high16 Ų1660.7 Ų60.76%0.0633%0.329CS..Hα-helixtrans-66.8-38.7179.3-68.1-171.9-172.4-172.95.5112.1V157 P158 H164 Y165 V184 L185 W227 E232 H234V157-R161 PolarHBondContact O-N 3.4Å; P158-R161 PolarHBondContact O-N 2.92Å; P158-R161 VanDerWaalsContact O-N 3.17Å; R161-H164 PolarHBondContact O-N 3.38Å; R161-Y165 WeakPolarHBondContact O-CB 3.2Å; R161-Y165 PolarHBondContact O-N 3.12Å; R161-V184 VanDerWaalsContact CD-O 3.28Å; R161-V184 WeakPolarHBondContact CD-O 3.4Å; R161-V184 PolarHBondContact NH1-O 2.96Å; R161-L185 HydrophobicContact CB-CD2 4.19Å; R161-W227 HydrophobicContact CB-CZ3 4.46Å; R161-W227 HydrophobicContact CG-CZ3 4.38Å; R161-E232 PolarHBondContact NH2-O 2.9Å; R161-H234 PolarHBondContact NH2-O 3.48Å
162V96.4Very high95.3Very high0 Ų058.6 Ų58.60%032%0.32CS..Hα-helixtrans-59.6-53173.6170.50000110.6F142 V146 F151 P158 H164 Y165 Q166 L185F142-V162 HydrophobicContact CZ-CG1 4.36Å; V146-V162 HydrophobicContact CG1-CG1 3.77Å; V146-V162 HydrophobicContact CG2-CG1 3.88Å; V146-V162 HydrophobicContact CG2-CG2 4.26Å; F151-V162 HydrophobicContact CD2-CG1 4.23Å; F151-V162 HydrophobicContact CE2-CB 4.02Å; F151-V162 HydrophobicContact CE2-CG1 3.63Å; P158-V162 WeakPolarHBondContact O-CG2 3.22Å; P158-V162 PolarHBondContact O-N 2.71Å; V162-H164 VanDerWaalsContact C-N 3.31Å; V162-H164 PolarHBondContact O-N 3.44Å; V162-Y165 PolarHBondContact O-N 3.15Å; V162-Q166 HydrophobicContact CG1-CG 4.29Å; V162-Q166 WeakPolarHBondContact O-CG 3.37Å; V162-Q166 PolarHBondContact O-N 3.3Å; V162-L185 HydrophobicContact CB-CD2 4.4Å; V162-L185 HydrophobicContact CG2-CD1 3.86Å; V162-L185 HydrophobicContact CG2-CD2 3.63Å; V162-L185 HydrophobicContact CG2-CG 4.26Å
163L95.3Very high95.4Very high85 Ų8552 Ų5245%0.44529%0.285SS..Hα-helixtrans-61.1-40.5-179.6-70.1172.6000112.2F151 R159 T160 S167F151-L163 HydrophobicContact CZ-CD1 4.47Å; F151-L163 HydrophobicContact CZ-CD2 3.9Å; F151-L163 HydrophobicContact CZ-CG 4.02Å; R159-L163 HydrophobicContact CG-CD1 4.47Å; R159-L163 WeakPolarHBondContact O-CG 3.32Å; R159-L163 PolarHBondContact O-N 2.74Å; R159-L163 VanDerWaalsContact O-N 3.12Å; T160-L163 PolarHBondContact O-N 2.79Å; L163-S167 PolarHBondContact O-N 3.09Å; L163-S167 VanDerWaalsContact O-N 3.09Å
164H93Very high95.5Very high83 Ų8346.2 Ų46.238%0.38425%0.254SS..Hα-helixtrans-60.2-49.8175.7-169.9124.4000110.9T160 R161 V162 S167 F168T160-H164 WeakPolarHBondContact O-CB 3.5Å; T160-H164 PolarHBondContact O-N 2.92Å; R161-H164 PolarHBondContact O-N 3.38Å; V162-H164 VanDerWaalsContact C-N 3.31Å; V162-H164 PolarHBondContact O-N 3.44Å; H164-S167 PolarHBondContact O-N 3.4Å; H164-F168 PolarHBondContact O-N 3.37Å
165Y94.6Very high95.5Very high4 Ų447.8 Ų47.82%0.01626%0.261CS..Hα-helixtrans-69-38.2-177.7-173.2-93.4000112.3F142 R161 V162 S167 F168 D169 T176 F178 F224F142-Y165 HydrophobicContact CB-CE1 4.1Å; F142-Y165 AromaticContact CD1-CD1 3.66Å; F142-Y165 HydrophobicContact CD1-CD1 3.66Å; F142-Y165 AromaticContact CD1-CE1 3.77Å; F142-Y165 HydrophobicContact CD1-CE1 3.77Å; F142-Y165 AromaticContact CD2-CD1 3.57Å; F142-Y165 HydrophobicContact CD2-CD1 3.57Å; F142-Y165 AromaticContact CD2-CE1 3.67Å; F142-Y165 HydrophobicContact CD2-CE1 3.67Å; F142-Y165 AromaticContact CE1-CD1 3.51Å; F142-Y165 HydrophobicContact CE1-CD1 3.51Å; F142-Y165 HydrophobicContact CE1-CE1 4.13Å; F142-Y165 AromaticContact CE2-CD1 3.39Å; F142-Y165 HydrophobicContact CE2-CD1 3.39Å; F142-Y165 AromaticContact CE2-CE1 4Å; F142-Y165 HydrophobicContact CE2-CE1 4Å; F142-Y165 HydrophobicContact CE2-CG 4.08Å; F142-Y165 AromaticContact CG-CD1 3.69Å; F142-Y165 HydrophobicContact CG-CD1 3.69Å; F142-Y165 AromaticContact CG-CE1 3.53Å; F142-Y165 HydrophobicContact CG-CE1 3.53Å; F142-Y165 AromaticContact CZ-CD1 3.36Å; F142-Y165 HydrophobicContact CZ-CD1 3.36Å; F142-Y165 HydrophobicContact CZ-CE1 4.23Å; F142-Y165 HydrophobicContact CZ-CG 4.11Å; R161-Y165 WeakPolarHBondContact O-CB 3.2Å; R161-Y165 PolarHBondContact O-N 3.12Å; V162-Y165 PolarHBondContact O-N 3.15Å; Y165-S167 VanDerWaalsContact C-N 3.31Å; Y165-S167 PolarHBondContact O-N 2.83Å; Y165-F168 HydrophobicContact CE2-CD1 4.23Å; Y165-F168 WeakPolarHBondContact O-CB 3.36Å; Y165-F168 PolarHBondContact O-N 2.88Å; Y165-F168 VanDerWaalsContact O-N 3.12Å; Y165-D169 HydrophobicContact CD1-CB 4.43Å; Y165-D169 HydrophobicContact CE1-CB 4.05Å; Y165-D169 WeakPolarHBondContact O-CB 3.36Å; Y165-D169 PolarHBondContact O-N 3.12Å; Y165-T176 WeakPolarHBondContact OH-CB 3.34Å; Y165-T176 PolarHBondContact OH-OG1 3.45Å; Y165-F178 HydrophobicContact CD1-CE2 4.25Å; Y165-F178 HydrophobicContact CD2-CE2 4.34Å; Y165-F178 HydrophobicContact CD2-CZ 4.02Å; Y165-F178 AromaticContact CE1-CE2 3.77Å; Y165-F178 HydrophobicContact CE1-CE2 3.77Å; Y165-F178 HydrophobicContact CE1-CZ 4.18Å; Y165-F178 AromaticContact CE2-CE2 3.93Å; Y165-F178 HydrophobicContact CE2-CE2 3.93Å; Y165-F178 AromaticContact CE2-CZ 3.46Å; Y165-F178 HydrophobicContact CE2-CZ 3.46Å; Y165-F178 VanDerWaalsContact CE2-CZ 3.46Å; Y165-F178 HydrophobicContact CG-CE2 4.49Å; Y165-F178 AromaticContact CZ-CE2 3.6Å; Y165-F178 AromaticContact CZ-CZ 3.54Å; Y165-F224 HydrophobicContact CE2-CE1 4.01Å; Y165-F224 AromaticContact CE2-CZ 3.99Å; Y165-F224 HydrophobicContact CE2-CZ 3.99Å
166Q95.6Very high95.5Very high65 Ų6544 Ų4430%0.30424%0.236SC..Hα-helixtrans-57.6-44173-75.8178.9-3500112F142 V162 F168 A170F142-Q166 HydrophobicContact CE1-CG 3.66Å; F142-Q166 HydrophobicContact CZ-CG 4.33Å; V162-Q166 HydrophobicContact CG1-CG 4.29Å; V162-Q166 WeakPolarHBondContact O-CG 3.37Å; V162-Q166 PolarHBondContact O-N 3.3Å; Q166-F168 VanDerWaalsContact C-N 3.34Å; Q166-A170 VanDerWaalsContact O-CB 3.31Å; Q166-A170 WeakPolarHBondContact O-CB 3.48Å; Q166-A170 PolarHBondContact O-N 2.84Å
167S94.9Very high95.7Very high55 Ų5538.3 Ų38.339%0.38521%0.206SC..Hα-helixtrans-64-39.9175.4-176.90000112L163 H164 Y165 N171L163-S167 PolarHBondContact O-N 3.09Å; L163-S167 VanDerWaalsContact O-N 3.09Å; H164-S167 PolarHBondContact O-N 3.4Å; Y165-S167 VanDerWaalsContact C-N 3.31Å; Y165-S167 PolarHBondContact O-N 2.83Å; S167-N171 PolarHBondContact O-ND2 3.15Å
168F94.4Very high95.7Very high28 Ų2837.4 Ų37.412%0.12320%0.2CC..Hα-helixtrans-64.3-52.8176.8178-85.1000111P30 Y36 H164 Y165 Q166 A170 N171 S172P30-F168 HydrophobicContact CB-CD2 3.66Å; P30-F168 HydrophobicContact CB-CE2 3.55Å; P30-F168 HydrophobicContact CB-CG 4.29Å; P30-F168 HydrophobicContact CB-CZ 4.09Å; P30-F168 HydrophobicContact CG-CE2 4.22Å; P30-F168 WeakPolarHBondContact O-CA 3.4Å; Y36-F168 HydrophobicContact CD2-CE2 4.24Å; Y36-F168 HydrophobicContact CE2-CE2 4.29Å; Y36-F168 HydrophobicContact CE2-CZ 4.21Å; H164-F168 PolarHBondContact O-N 3.37Å; Y165-F168 HydrophobicContact CE2-CD1 4.23Å; Y165-F168 WeakPolarHBondContact O-CB 3.36Å; Y165-F168 PolarHBondContact O-N 2.88Å; Y165-F168 VanDerWaalsContact O-N 3.12Å; Q166-F168 VanDerWaalsContact C-N 3.34Å; F168-A170 PolarHBondContact O-N 3.04Å; F168-N171 CarbonylContact O-C 3.56Å; F168-N171 PolarHBondContact O-N 2.64Å; F168-N171 VanDerWaalsContact O-N 3.14Å; F168-S172 WeakPolarHBondContact O-CB 3.43Å; F168-S172 PolarHBondContact O-N 3.14Å
169D94.9Very high95.8Very high25 Ų2537.9 Ų37.913%0.13420%0.203CC..Hα-helixtrans-57.2-47.4-179.417750.5000111Y165 N171 S172 K202Y165-D169 HydrophobicContact CD1-CB 4.43Å; Y165-D169 HydrophobicContact CE1-CB 4.05Å; Y165-D169 WeakPolarHBondContact O-CB 3.36Å; Y165-D169 PolarHBondContact O-N 3.12Å; D169-N171 PolarHBondContact O-N 2.92Å; D169-S172 PolarHBondContact O-N 3.02Å; D169-S172 VanDerWaalsContact O-N 3.15Å; D169-K202 PolarHBondContact O-NZ 2.87Å; D169-K202 VanDerWaalsContact OD1-CE 3.29Å; D169-K202 WeakPolarHBondContact OD1-CE 3.2Å; D169-K202 IonicContact OD1-NZ 3.61Å; D169-K202 PolarHBondContact OD1-NZ 2.84Å; D169-K202 IonicContact OD2-NZ 3.53Å
170A95.6Very high95.8Very high74 Ų7434.4 Ų34.461%0.61219%0.192SC*.Hα-helixtrans-56.6-26.6-179.700000114.2Q166 F168Q166-A170 VanDerWaalsContact O-CB 3.31Å; Q166-A170 WeakPolarHBondContact O-CB 3.48Å; Q166-A170 PolarHBondContact O-N 2.84Å; F168-A170 PolarHBondContact O-N 3.04Å
171N95.2Very high95.8Very high80 Ų8032 Ų3243%0.42818%0.177SC..Hα-helixtrans-113-1-176.9-62.3-76.3000113.7L29 S167 F168 D169L29-N171 WeakPolarHBondContact O-CB 3.39Å; S167-N171 PolarHBondContact O-ND2 3.15Å; F168-N171 CarbonylContact O-C 3.56Å; F168-N171 PolarHBondContact O-N 2.64Å; F168-N171 VanDerWaalsContact O-N 3.14Å; D169-N171 PolarHBondContact O-N 2.92Å
172S95.8Very high95.9Very high7 Ų733.3 Ų33.35%0.04918%0.184CC..  trans-90143.4179.6179.20000111.1F168 D169 L174 K202F168-S172 WeakPolarHBondContact O-CB 3.43Å; F168-S172 PolarHBondContact O-N 3.14Å; D169-S172 PolarHBondContact O-N 3.02Å; D169-S172 VanDerWaalsContact O-N 3.15Å; S172-L174 PolarHBondContact O-N 2.65Å; S172-L174 WeakPolarHBondContact OG-CB 3.34Å; S172-L174 PolarHBondContact OG-N 2.8Å; S172-L174 VanDerWaalsContact OG-N 3.08Å; S172-K202 WeakPolarHBondContact O-CE 3.17Å
173P96.6Very high95.9Very high0 Ų036.4 Ų36.40%020%0.196CC..SBendtrans-73.6-7.3169.832.9-34.8000112.7I3 F7 F28 L201 K202 Y219I3-P173 HydrophobicContact CG2-CB 3.69Å; F7-P173 HydrophobicContact CD2-CB 4.26Å; F7-P173 HydrophobicContact CD2-CG 4.04Å; F7-P173 HydrophobicContact CE2-CG 4.34Å; F28-P173 HydrophobicContact CB-CG 4.39Å; F28-P173 HydrophobicContact CD1-CB 3.92Å; F28-P173 HydrophobicContact CD1-CG 4.28Å; F28-P173 HydrophobicContact CD2-CB 3.9Å; F28-P173 HydrophobicContact CD2-CG 3.71Å; F28-P173 HydrophobicContact CE1-CB 3.79Å; F28-P173 HydrophobicContact CE2-CB 3.77Å; F28-P173 HydrophobicContact CE2-CG 4.02Å; F28-P173 HydrophobicContact CG-CB 3.98Å; F28-P173 HydrophobicContact CG-CG 3.86Å; F28-P173 HydrophobicContact CZ-CB 3.72Å; F28-P173 HydrophobicContact CZ-CG 4.44Å; P173-L201 HydrophobicContact CB-CD2 4.14Å; P173-L201 WeakPolarHBondContact O-CA 3.47Å; P173-K202 PolarHBondContact O-N 3.4Å; P173-Y219 WeakPolarHBondContact CD-OH 3.16Å; P173-Y219 HydrophobicContact CG-CE1 3.9Å; P173-Y219 WeakPolarHBondContact CG-OH 3.49Å
174L96.2Very high95.9Very high2 Ų232.6 Ų32.61%0.0118%0.176CC..EExtended strand (participates in β ladder)trans-98.7136.8-171.9-52.7179.9000111.6S172 I199 R200 L201 K202 F216 Y219 L220S172-L174 PolarHBondContact O-N 2.65Å; S172-L174 WeakPolarHBondContact OG-CB 3.34Å; S172-L174 PolarHBondContact OG-N 2.8Å; S172-L174 VanDerWaalsContact OG-N 3.08Å; L174-I199 HydrophobicContact CB-CD1 4.18Å; L174-I199 HydrophobicContact CB-CG1 4.12Å; L174-I199 HydrophobicContact CD1-CD1 3.61Å; L174-I199 HydrophobicContact CD1-CG1 4.27Å; L174-I199 HydrophobicContact CG-CD1 4.43Å; L174-R200 CarbonylContact C-O 3.58Å; L174-R200 VanDerWaalsContact CA-O 3.25Å; L174-R200 WeakPolarHBondContact CA-O 3.2Å; L174-L201 HydrophobicContact CD2-CD2 4.06Å; L174-K202 WeakPolarHBondContact O-CE 3.43Å; L174-F216 HydrophobicContact CD2-CE2 4.38Å; L174-Y219 HydrophobicContact CD1-CD1 3.97Å; L174-Y219 HydrophobicContact CD1-CE1 3.68Å; L174-Y219 HydrophobicContact CD2-CD1 4.17Å; L174-Y219 HydrophobicContact CD2-CE1 4.01Å; L174-Y219 HydrophobicContact CG-CD1 4.35Å; L174-Y219 HydrophobicContact CG-CE1 3.84Å; L174-L220 HydrophobicContact CD1-CD2 3.8Å; L174-L220 HydrophobicContact CD2-CD2 3.65Å; L174-L220 HydrophobicContact CG-CD2 4.37Å
175E95.9Very high96.1Very high56 Ų5628.7 Ų28.726%0.26216%0.158SC..EExtended strand (participates in β ladder)trans-94.9132.2163.8-169.9-175.4-171.800108.1I199 R200 K202 W260E175-I199 WeakPolarHBondContact O-CA 3.45Å; E175-I199 WeakPolarHBondContact O-CG1 3.46Å; E175-R200 HydrophobicContact CB-CG 4.27Å; E175-R200 PolarHBondContact N-O 3.42Å; E175-R200 PolarHBondContact O-N 2.68Å; E175-R200 VanDerWaalsContact O-N 3.08Å; E175-R200 IonicContact OE2-CZ 2.71Å; E175-R200 VanDerWaalsContact OE2-CZ 3.28Å; E175-R200 IonicContact OE2-NE 2.73Å; E175-R200 PolarHBondContact OE2-NE 3.17Å; E175-R200 IonicContact OE2-NH2 3.43Å; E175-R200 PolarHBondContact OE2-NH2 3.44Å; E175-K202 HydrophobicContact CB-CG 3.97Å; E175-W260 HydrophobicContact CB-CH2 4.28Å; E175-W260 VanDerWaalsContact CD-CH2 3.5Å; E175-W260 HydrophobicContact CG-CH2 3.75Å; E175-W260 HydrophobicContact CG-CZ3 4.5Å
176T96.8Very high96.2Very high7 Ų728.7 Ų28.74%0.04316%0.159CC..EExtended strand (participates in β ladder)trans-128.3138.1175.6-44.70000111.4Y165 F178 W198 F224Y165-T176 WeakPolarHBondContact OH-CB 3.34Å; Y165-T176 PolarHBondContact OH-OG1 3.45Å; T176-F178 HydrophobicContact CG2-CD1 4.19Å; T176-F178 HydrophobicContact CG2-CE1 3.86Å; T176-F178 HydrophobicContact CG2-CZ 4.22Å; T176-W198 CarbonylContact C-O 3.58Å; T176-W198 WeakPolarHBondContact CA-O 3.15Å; T176-W198 WeakPolarHBondContact CG2-O 3.4Å; T176-F224 HydrophobicContact CG2-CD2 4.43Å; T176-F224 HydrophobicContact CG2-CE2 3.36Å; T176-F224 HydrophobicContact CG2-CZ 3.56Å
177V97.6Very high96.2Very high6 Ų628.3 Ų28.34%0.03616%0.159CC..EExtended strand (participates in β ladder)trans-117.1121.8167.7177.90000108.7V136 L139 S197 W198 W260V136-V177 HydrophobicContact CG2-CB 3.84Å; V136-V177 HydrophobicContact CG2-CG1 4.02Å; V136-V177 HydrophobicContact CG2-CG2 3.81Å; L139-V177 HydrophobicContact CB-CG1 3.47Å; L139-V177 VanDerWaalsContact CB-CG1 3.47Å; L139-V177 HydrophobicContact CD1-CG1 3.92Å; L139-V177 HydrophobicContact CG-CG1 4.34Å; V177-S197 CarbonylContact O-C 3.59Å; V177-S197 WeakPolarHBondContact O-CA 3.37Å; V177-W198 HydrophobicContact CB-CB 4.46Å; V177-W198 PolarHBondContact N-O 2.94Å; V177-W198 PolarHBondContact O-N 3.02Å; V177-W260 HydrophobicContact CG2-CH2 3.63Å; V177-W260 HydrophobicContact CG2-CZ2 4.35Å; V177-W260 HydrophobicContact CG2-CZ3 4.09Å
178F97.6Very high96.3Very high8 Ų831.2 Ų31.24%0.03517%0.165CC..EExtended strand (participates in β ladder)trans-84135.2179.7-62.9-61.7000111.3F142 Y165 T176 P181 V184 F224F142-F178 AromaticContact CD2-CD2 3.95Å; F142-F178 HydrophobicContact CD2-CD2 3.95Å; F142-F178 AromaticContact CD2-CE2 3.73Å; F142-F178 HydrophobicContact CD2-CE2 3.73Å; F142-F178 HydrophobicContact CE2-CE2 4.31Å; Y165-F178 HydrophobicContact CD1-CE2 4.25Å; Y165-F178 HydrophobicContact CD2-CE2 4.34Å; Y165-F178 HydrophobicContact CD2-CZ 4.02Å; Y165-F178 AromaticContact CE1-CE2 3.77Å; Y165-F178 HydrophobicContact CE1-CE2 3.77Å; Y165-F178 HydrophobicContact CE1-CZ 4.18Å; Y165-F178 AromaticContact CE2-CE2 3.93Å; Y165-F178 HydrophobicContact CE2-CE2 3.93Å; Y165-F178 AromaticContact CE2-CZ 3.46Å; Y165-F178 HydrophobicContact CE2-CZ 3.46Å; Y165-F178 VanDerWaalsContact CE2-CZ 3.46Å; Y165-F178 HydrophobicContact CG-CE2 4.49Å; Y165-F178 AromaticContact CZ-CE2 3.6Å; Y165-F178 AromaticContact CZ-CZ 3.54Å; T176-F178 HydrophobicContact CG2-CD1 4.19Å; T176-F178 HydrophobicContact CG2-CE1 3.86Å; T176-F178 HydrophobicContact CG2-CZ 4.22Å; F178-P181 HydrophobicContact CB-CB 4.02Å; F178-V184 HydrophobicContact CD1-CG2 3.81Å; F178-V184 HydrophobicContact CE1-CG1 4.17Å; F178-V184 HydrophobicContact CE1-CG2 4.12Å; F178-V184 HydrophobicContact CE2-CG1 4.33Å; F178-V184 HydrophobicContact CG-CG2 4.14Å; F178-V184 HydrophobicContact CZ-CG1 4.04Å; F178-F224 AromaticContact CE1-CD1 3.83Å; F178-F224 HydrophobicContact CE1-CD1 3.83Å; F178-F224 AromaticContact CE1-CE1 3.26Å; F178-F224 HydrophobicContact CE1-CE1 3.26Å; F178-F224 HydrophobicContact CE1-CE2 4.05Å; F178-F224 HydrophobicContact CE1-CG 4.46Å; F178-F224 AromaticContact CE1-CZ 3.38Å; F178-F224 HydrophobicContact CE1-CZ 3.38Å; F178-F224 HydrophobicContact CZ-CD1 4.38Å; F178-F224 AromaticContact CZ-CE1 3.45Å; F178-F224 HydrophobicContact CZ-CE1 3.45Å; F178-F224 VanDerWaalsContact CZ-CE1 3.45Å; F178-F224 AromaticContact CZ-CZ 3.59Å; F178-F224 HydrophobicContact CZ-CZ 3.59Å
179C97.6Very high96.4Very high17 Ų1731.7 Ų31.712%0.11517%0.172CC..SBendtrans-75.4-34.9170.1-61.90000111.3L139 H196L139-C179 HydrophobicContact CD1-CB 4.45Å; C179-H196 HydrophobicContact CB-CB 3.86Å; C179-H196 WeakPolarHBondContact CB-O 3.42Å; C179-H196 PolarHBondContact N-O 3.08Å
180E96.6Very high96.4Very high38 Ų3830.9 Ų30.918%0.17817%0.167CC..SBendtrans-126.663.8-179.3-47.183.1-176.100112.5E182 Y183 V184 L195 H196E180-E182 PolarHBondContact O-N 3.5Å; E180-E182 VanDerWaalsContact O-N 3.16Å; E180-Y183 HydrophobicContact CB-CD2 3.42Å; E180-Y183 VanDerWaalsContact CB-CD2 3.42Å; E180-Y183 HydrophobicContact CB-CE2 3.93Å; E180-Y183 HydrophobicContact CB-CG 4.22Å; E180-Y183 HydrophobicContact CG-CD2 3.98Å; E180-Y183 HydrophobicContact CG-CE2 4.1Å; E180-Y183 PolarHBondContact O-N 3.3Å; E180-Y183 VanDerWaalsContact O-N 3.11Å; E180-V184 PolarHBondContact O-N 3.33Å; E180-L195 HydrophobicContact CB-CD2 4.37Å; E180-H196 IonicContact OE1-CE1 3.92Å; E180-H196 IonicContact OE1-CG 3.08Å; E180-H196 IonicContact OE1-ND1 2.76Å; E180-H196 PolarHBondContact OE1-ND1 3.37Å; E180-H196 PolarHBondContact OE2-N 2.84Å; E180-H196 IonicContact OE2-ND1 2.69Å
181P96.6Very high96.3Very high16 Ų1633.6 Ų33.610%0.10418%0.176CC..Hα-helixtrans-58.7-29.6-175.224.7-35000113.8Y145 F178 Y183 V184 L185Y145-P181 HydrophobicContact CD1-CB 3.85Å; Y145-P181 HydrophobicContact CD1-CG 4.22Å; Y145-P181 HydrophobicContact CD2-CB 4.16Å; Y145-P181 HydrophobicContact CD2-CG 3.61Å; Y145-P181 HydrophobicContact CE1-CB 3.76Å; Y145-P181 HydrophobicContact CE1-CG 4.06Å; Y145-P181 HydrophobicContact CE2-CB 4.04Å; Y145-P181 HydrophobicContact CE2-CG 3.38Å; Y145-P181 HydrophobicContact CG-CB 4.05Å; Y145-P181 HydrophobicContact CG-CG 4.01Å; F178-P181 HydrophobicContact CB-CB 4.02Å; P181-Y183 VanDerWaalsContact C-N 3.26Å; P181-Y183 PolarHBondContact O-N 3.08Å; P181-V184 PolarHBondContact O-N 2.78Å; P181-L185 VanDerWaalsContact O-CB 3.32Å; P181-L185 WeakPolarHBondContact O-CB 3.31Å; P181-L185 WeakPolarHBondContact O-CG 3.32Å; P181-L185 PolarHBondContact O-N 3.37Å
182E96.6Very high96.2Very high44 Ų4432.3 Ų32.321%0.20618%0.182CC..Hα-helixtrans-63.4-30.4178.263.1-98.4-124.900113.7E180 G186 L187 K188E180-E182 PolarHBondContact O-N 3.5Å; E180-E182 VanDerWaalsContact O-N 3.16Å; E182-G186 PolarHBondContact O-N 2.79Å; E182-L187 HydrophobicContact CB-CB 4.05Å; E182-L187 HydrophobicContact CB-CD1 4.37Å; E182-L187 WeakPolarHBondContact O-CB 3.45Å; E182-L187 PolarHBondContact O-N 3.36Å; E182-K188 HydrophobicContact CB-CG 4.44Å; E182-K188 HydrophobicContact CG-CB 4.49Å; E182-K188 HydrophobicContact CG-CD 4.07Å; E182-K188 HydrophobicContact CG-CG 4.38Å; E182-K188 PolarHBondContact O-N 2.89Å; E182-K188 IonicContact OE1-NZ 3.5Å
183Y96.9Very high96.2Very high65 Ų6532.4 Ų32.426%0.25518%0.184SC..Hα-helixtrans-80.8-44.2179.1-63.6-28.7000110.4E180 P181 L185 G186 K188 N190 L195E180-Y183 HydrophobicContact CB-CD2 3.42Å; E180-Y183 VanDerWaalsContact CB-CD2 3.42Å; E180-Y183 HydrophobicContact CB-CE2 3.93Å; E180-Y183 HydrophobicContact CB-CG 4.22Å; E180-Y183 HydrophobicContact CG-CD2 3.98Å; E180-Y183 HydrophobicContact CG-CE2 4.1Å; E180-Y183 PolarHBondContact O-N 3.3Å; E180-Y183 VanDerWaalsContact O-N 3.11Å; P181-Y183 VanDerWaalsContact C-N 3.26Å; P181-Y183 PolarHBondContact O-N 3.08Å; Y183-L185 VanDerWaalsContact C-N 3.28Å; Y183-L185 PolarHBondContact O-N 2.61Å; Y183-G186 PolarHBondContact O-N 2.99Å; Y183-K188 HydrophobicContact CD1-CB 3.87Å; Y183-K188 HydrophobicContact CE1-CB 3.8Å; Y183-K188 HydrophobicContact CE1-CD 4.31Å; Y183-N190 HydrophobicContact CD1-CB 4.44Å; Y183-N190 HydrophobicContact CG-CB 4.09Å; Y183-L195 HydrophobicContact CD2-CD2 4.31Å
184V96Very high96.2Very high4 Ų437.4 Ų37.42%0.02421%0.208CC..Hα-helixtrans-55.1-48.5174.8179.40000110R161 F178 E180 P181 G186 L195 W227R161-V184 VanDerWaalsContact CD-O 3.28Å; R161-V184 WeakPolarHBondContact CD-O 3.4Å; R161-V184 PolarHBondContact NH1-O 2.96Å; F178-V184 HydrophobicContact CD1-CG2 3.81Å; F178-V184 HydrophobicContact CE1-CG1 4.17Å; F178-V184 HydrophobicContact CE1-CG2 4.12Å; F178-V184 HydrophobicContact CE2-CG1 4.33Å; F178-V184 HydrophobicContact CG-CG2 4.14Å; F178-V184 HydrophobicContact CZ-CG1 4.04Å; E180-V184 PolarHBondContact O-N 3.33Å; P181-V184 PolarHBondContact O-N 2.78Å; V184-G186 VanDerWaalsContact C-N 3.26Å; V184-G186 PolarHBondContact O-N 2.76Å; V184-L195 HydrophobicContact CG2-CD1 4.03Å; V184-L195 HydrophobicContact CG2-CD2 4Å; V184-W227 HydrophobicContact CG1-CE3 4.15Å; V184-W227 HydrophobicContact CG1-CZ3 4.49Å
185L96.2Very high96.3Very high1 Ų137.7 Ų37.71%0.00521%0.209CC..THydrogen-bonded Turntrans-79-4.5-178.6-65.1178000113.6F142 Y145 L149 P158 R161 V162 P181 Y183 L187F142-L185 HydrophobicContact CE2-CD1 4.21Å; F142-L185 HydrophobicContact CE2-CD2 4Å; F142-L185 HydrophobicContact CE2-CG 4.48Å; F142-L185 HydrophobicContact CZ-CD2 4.44Å; Y145-L185 HydrophobicContact CD1-CD1 3.98Å; Y145-L185 HydrophobicContact CE1-CD1 3.73Å; L149-L185 HydrophobicContact CD1-CD1 4.4Å; P158-L185 WeakPolarHBondContact CA-O 3.34Å; R161-L185 HydrophobicContact CB-CD2 4.19Å; V162-L185 HydrophobicContact CB-CD2 4.4Å; V162-L185 HydrophobicContact CG2-CD1 3.86Å; V162-L185 HydrophobicContact CG2-CD2 3.63Å; V162-L185 HydrophobicContact CG2-CG 4.26Å; P181-L185 VanDerWaalsContact O-CB 3.32Å; P181-L185 WeakPolarHBondContact O-CB 3.31Å; P181-L185 WeakPolarHBondContact O-CG 3.32Å; P181-L185 PolarHBondContact O-N 3.37Å; Y183-L185 VanDerWaalsContact C-N 3.28Å; Y183-L185 PolarHBondContact O-N 2.61Å; L185-L187 HydrophobicContact CB-CD1 4.46Å; L185-L187 HydrophobicContact CB-CG 4.26Å; L185-L187 PolarHBondContact O-N 2.96Å
186G96Very high96.4Very high4 Ų436.1 Ų36.14%0.04120%0.201CC..THydrogen-bonded Turntrans64.527.1-179.200000113.2P158 E182 Y183 V184 P233P158-G186 WeakPolarHBondContact CG-O 3.39Å; E182-G186 PolarHBondContact O-N 2.79Å; Y183-G186 PolarHBondContact O-N 2.99Å; V184-G186 VanDerWaalsContact C-N 3.26Å; V184-G186 PolarHBondContact O-N 2.76Å; G186-P233 VanDerWaalsContact O-CB 3.24Å; G186-P233 WeakPolarHBondContact O-CB 3.32Å
187L96.5Very high96.4Very high57 Ų5735.9 Ų35.930%0.29820%0.2SC..SBendtrans-70-28.4166.4-66.6170.9000110.6Y145 L149 L154 P158 E182 L185Y145-L187 HydrophobicContact CE1-CD1 4.06Å; Y145-L187 WeakPolarHBondContact OH-CD1 3.15Å; L149-L187 HydrophobicContact CD1-CD1 4.09Å; L149-L187 HydrophobicContact CD2-CD1 3.93Å; L154-L187 HydrophobicContact CD2-CD2 3.65Å; P158-L187 HydrophobicContact CB-CD2 3.68Å; P158-L187 HydrophobicContact CB-CG 4.3Å; P158-L187 HydrophobicContact CG-CD2 3.83Å; P158-L187 HydrophobicContact CG-CG 4.45Å; E182-L187 HydrophobicContact CB-CB 4.05Å; E182-L187 HydrophobicContact CB-CD1 4.37Å; E182-L187 WeakPolarHBondContact O-CB 3.45Å; E182-L187 PolarHBondContact O-N 3.36Å; L185-L187 HydrophobicContact CB-CD1 4.46Å; L185-L187 HydrophobicContact CB-CG 4.26Å; L185-L187 PolarHBondContact O-N 2.96Å
188K96.4Very high96.5Very high117 Ų11736.3 Ų36.351%0.50920%0.201SC..SBendtrans-137.7155172.5-60.2-176.5-164156.30110.2E182 Y183E182-K188 HydrophobicContact CB-CG 4.44Å; E182-K188 HydrophobicContact CG-CB 4.49Å; E182-K188 HydrophobicContact CG-CD 4.07Å; E182-K188 HydrophobicContact CG-CG 4.38Å; E182-K188 PolarHBondContact O-N 2.89Å; E182-K188 IonicContact OE1-NZ 3.5Å; Y183-K188 HydrophobicContact CD1-CB 3.87Å; Y183-K188 HydrophobicContact CE1-CB 3.8Å; Y183-K188 HydrophobicContact CE1-CD 4.31Å
189S96.5Very high96.4Very high38 Ų3836 Ų3627%0.26620%0.2SC..  trans-68.9134.5169.6-55.20000110.7V191 T231 E232 P233S189-V191 VanDerWaalsContact C-N 3.29Å; S189-V191 PolarHBondContact O-N 3.42Å; S189-V191 VanDerWaalsContact O-N 3.09Å; S189-T231 CarbonylContact C-O 3.56Å; S189-T231 WeakPolarHBondContact CA-O 3.4Å; S189-E232 WeakPolarHBondContact CB-OE2 3.37Å; S189-E232 PolarHBondContact OG-OE2 2.82Å; S189-P233 WeakPolarHBondContact OG-CD 3.27Å
190N96.1Very high96.4Very high7 Ų738.1 Ų38.14%0.03721%0.205CC..  trans-82.673.3172.8-173.20.4000110.3Y183 G192 G193 Q194 T231Y183-N190 HydrophobicContact CD1-CB 4.44Å; Y183-N190 HydrophobicContact CG-CB 4.09Å; N190-G192 PolarHBondContact O-N 2.88Å; N190-G193 PolarHBondContact O-N 2.95Å; N190-G193 PolarHBondContact OD1-N 2.93Å; N190-Q194 PolarHBondContact ND2-N 3.43Å; N190-Q194 PolarHBondContact ND2-O 3.32Å; N190-Q194 PolarHBondContact OD1-N 3.09Å; N190-Q194 PolarHBondContact OD1-O 3.41Å; N190-T231 PolarHBondContact N-O 2.79Å
191V91.8Very high96.4Very high131 Ų13136.5 Ų36.579%0.79420%0.198SC*.THydrogen-bonded Turntrans-61.4-26.7-177.8-67.50000113.4S189 G193S189-V191 VanDerWaalsContact C-N 3.29Å; S189-V191 PolarHBondContact O-N 3.42Å; S189-V191 VanDerWaalsContact O-N 3.09Å; V191-G193 VanDerWaalsContact C-N 3.33Å
192G94Very high96.4Very high54 Ų5438.7 Ų38.756%0.55721%0.206SC*.THydrogen-bonded Turntrans-81.1-14.2176.700000113.6N190 Q194N190-G192 PolarHBondContact O-N 2.88Å; G192-Q194 PolarHBondContact O-N 3.23Å
193G95.8Very high96.5Very high9 Ų940.5 Ų40.59%0.09321%0.214CC..  trans58.332.7-176.200000112.9N190 V191 V228 R266 A267N190-G193 PolarHBondContact O-N 2.95Å; N190-G193 PolarHBondContact OD1-N 2.93Å; V191-G193 VanDerWaalsContact C-N 3.33Å; G193-V228 WeakPolarHBondContact O-CG2 3.17Å; G193-R266 CarbonylContact O-C 3.51Å; G193-R266 WeakPolarHBondContact O-CA 2.97Å; G193-A267 PolarHBondContact O-N 3.39Å
194Q97.1Very high96.4Very high105 Ų10540.3 Ų40.349%0.49122%0.221SC..EExtended strand (participates in β ladder)trans-127.3145.1180-68.7178.817.900110.4N190 G192 T265 R266N190-Q194 PolarHBondContact ND2-N 3.43Å; N190-Q194 PolarHBondContact ND2-O 3.32Å; N190-Q194 PolarHBondContact OD1-N 3.09Å; N190-Q194 PolarHBondContact OD1-O 3.41Å; G192-Q194 PolarHBondContact O-N 3.23Å; Q194-T265 VanDerWaalsContact CA-O 3.31Å; Q194-T265 WeakPolarHBondContact CA-O 3.49Å; Q194-R266 HydrophobicContact CG-CB 4.06Å
195L97.8Very high96.4Very high8 Ų840.4 Ų40.44%0.04222%0.222CC..EExtended strand (participates in β ladder)trans-143.7142.8172.5-67.1176.1000109.7E180 Y183 V184 V228 T265E180-L195 HydrophobicContact CB-CD2 4.37Å; Y183-L195 HydrophobicContact CD2-CD2 4.31Å; V184-L195 HydrophobicContact CG2-CD1 4.03Å; V184-L195 HydrophobicContact CG2-CD2 4Å; L195-V228 HydrophobicContact CB-CB 4.39Å; L195-V228 HydrophobicContact CB-CG2 4.19Å; L195-V228 HydrophobicContact CD1-CB 3.94Å; L195-V228 HydrophobicContact CD1-CG2 4.27Å; L195-V228 HydrophobicContact CG-CB 4.21Å; L195-V228 HydrophobicContact CG-CG2 4Å; L195-T265 PolarHBondContact N-O 2.97Å; L195-T265 PolarHBondContact O-N 3.41Å; L195-T265 PolarHBondContact O-OG1 2.73Å
196H97.9Very high96.3Very high22 Ų2244.9 Ų44.910%0.10225%0.253CS..EExtended strand (participates in β ladder)trans-124.6145.5173.9-50.588.7000111.2V133 C179 E180 L262 L263V133-H196 HydrophobicContact CG1-CB 3.89Å; C179-H196 HydrophobicContact CB-CB 3.86Å; C179-H196 WeakPolarHBondContact CB-O 3.42Å; C179-H196 PolarHBondContact N-O 3.08Å; E180-H196 IonicContact OE1-CE1 3.92Å; E180-H196 IonicContact OE1-CG 3.08Å; E180-H196 IonicContact OE1-ND1 2.76Å; E180-H196 PolarHBondContact OE1-ND1 3.37Å; E180-H196 PolarHBondContact OE2-N 2.84Å; E180-H196 IonicContact OE2-ND1 2.69Å; H196-L262 HydrophobicContact CB-CD1 4.33Å; H196-L263 CarbonylContact C-O 3.52Å; H196-L263 VanDerWaalsContact CA-O 3.27Å; H196-L263 WeakPolarHBondContact CA-O 3.06Å
197S97.8Very high96.1Very high3 Ų347.7 Ų47.72%0.02127%0.27CS..EExtended strand (participates in β ladder)trans-147.4138.4176.360.40000111V177 F224 L263V177-S197 CarbonylContact O-C 3.59Å; V177-S197 WeakPolarHBondContact O-CA 3.37Å; S197-F224 WeakPolarHBondContact OG-CD2 3.46Å; S197-L263 PolarHBondContact N-O 3.31Å; S197-L263 PolarHBondContact O-N 3.11Å
198W97.9Very high95.9Very high15 Ų1547.8 Ų47.86%0.05728%0.275CS..EExtended strand (participates in β ladder)trans-86.5132163.8-6698.1000108.6V133 Q134 V136 T176 V177 W260 I261 L262 R284V133-W198 HydrophobicContact CG2-CZ2 3.88Å; Q134-W198 PolarHBondContact O-NE1 3.41Å; V136-W198 HydrophobicContact CB-CB 4.17Å; V136-W198 HydrophobicContact CB-CD2 4.3Å; V136-W198 HydrophobicContact CB-CG 3.85Å; V136-W198 HydrophobicContact CG2-CB 3.95Å; V136-W198 HydrophobicContact CG2-CG 4.15Å; T176-W198 CarbonylContact C-O 3.58Å; T176-W198 WeakPolarHBondContact CA-O 3.15Å; T176-W198 WeakPolarHBondContact CG2-O 3.4Å; V177-W198 HydrophobicContact CB-CB 4.46Å; V177-W198 PolarHBondContact N-O 2.94Å; V177-W198 PolarHBondContact O-N 3.02Å; W198-W260 HydrophobicContact CB-CD2 4.27Å; W198-W260 HydrophobicContact CB-CE3 3.57Å; W198-W260 HydrophobicContact CB-CZ3 4.06Å; W198-W260 HydrophobicContact CE3-CB 3.82Å; W198-W260 HydrophobicContact CZ3-CB 4.44Å; W198-W260 WeakPolarHBondContact O-CZ3 3.47Å; W198-I261 CarbonylContact C-O 3.6Å; W198-I261 WeakPolarHBondContact CA-O 3.5Å; W198-L262 HydrophobicContact CD2-CB 4.37Å; W198-L262 HydrophobicContact CD2-CD1 4.13Å; W198-L262 HydrophobicContact CE3-CB 3.87Å; W198-L262 HydrophobicContact CE3-CD1 4.48Å; W198-L262 HydrophobicContact CH2-CB 3.91Å; W198-L262 HydrophobicContact CH2-CD2 4.4Å; W198-L262 HydrophobicContact CZ2-CB 4.37Å; W198-L262 HydrophobicContact CZ2-CD1 4.2Å; W198-L262 HydrophobicContact CZ2-CD2 4.41Å; W198-L262 HydrophobicContact CZ3-CB 3.64Å; W198-R284 HydrophobicContact CZ3-CG 4.07Å
199I97.3Very high95.7Very high0 Ų042.3 Ų42.30%025%0.251CS..EExtended strand (participates in β ladder)trans-135.9147.7-178.1-157.3163.8000111.6L174 E175 L220 A223 F224 I261 L263L174-I199 HydrophobicContact CB-CD1 4.18Å; L174-I199 HydrophobicContact CB-CG1 4.12Å; L174-I199 HydrophobicContact CD1-CD1 3.61Å; L174-I199 HydrophobicContact CD1-CG1 4.27Å; L174-I199 HydrophobicContact CG-CD1 4.43Å; E175-I199 WeakPolarHBondContact O-CA 3.45Å; E175-I199 WeakPolarHBondContact O-CG1 3.46Å; I199-L220 HydrophobicContact CD1-CD2 4Å; I199-L220 HydrophobicContact CG1-CD2 4.12Å; I199-L220 HydrophobicContact CG2-CD1 3.85Å; I199-L220 HydrophobicContact CG2-CD2 3.84Å; I199-L220 HydrophobicContact CG2-CG 4.31Å; I199-A223 HydrophobicContact CD1-CB 3.93Å; I199-F224 HydrophobicContact CD1-CE2 4.09Å; I199-I261 HydrophobicContact CG2-CB 4.15Å; I199-I261 HydrophobicContact CG2-CG2 4.44Å; I199-I261 PolarHBondContact N-O 3.45Å; I199-I261 PolarHBondContact O-N 2.87Å; I199-L263 HydrophobicContact CG2-CD1 3.43Å; I199-L263 VanDerWaalsContact CG2-CD1 3.43Å; I199-L263 HydrophobicContact CG2-CD2 4.41Å
200R96.3Very high95.5Very high62 Ų6244 Ų4423%0.23426%0.255CS..EExtended strand (participates in β ladder)trans-158.9178.4170.663.7174.6-176.3177.80.9110.9L174 E175 D258 E259 W260L174-R200 CarbonylContact C-O 3.58Å; L174-R200 VanDerWaalsContact CA-O 3.25Å; L174-R200 WeakPolarHBondContact CA-O 3.2Å; E175-R200 HydrophobicContact CB-CG 4.27Å; E175-R200 PolarHBondContact N-O 3.42Å; E175-R200 PolarHBondContact O-N 2.68Å; E175-R200 VanDerWaalsContact O-N 3.08Å; E175-R200 IonicContact OE2-CZ 2.71Å; E175-R200 VanDerWaalsContact OE2-CZ 3.28Å; E175-R200 IonicContact OE2-NE 2.73Å; E175-R200 PolarHBondContact OE2-NE 3.17Å; E175-R200 IonicContact OE2-NH2 3.43Å; E175-R200 PolarHBondContact OE2-NH2 3.44Å; R200-D258 PolarHBondContact NH1-O 2.78Å; R200-E259 VanDerWaalsContact CB-O 3.31Å; R200-E259 WeakPolarHBondContact CB-O 3.33Å; R200-W260 HydrophobicContact CB-CE3 4.29Å; R200-W260 HydrophobicContact CG-CD2 4Å; R200-W260 HydrophobicContact CG-CE3 3.85Å; R200-W260 HydrophobicContact CG-CH2 4.14Å; R200-W260 HydrophobicContact CG-CZ2 4.26Å; R200-W260 HydrophobicContact CG-CZ3 3.92Å; R200-W260 VanDerWaalsContact NE-CZ2 3.34Å
201L97Very high95.4Very high4 Ų448 Ų482%0.02128%0.284CS..EExtended strand (participates in β ladder)trans-72.2140.5166.5-69.5167.1000110.5F7 P173 L174 E203 P205 F216F7-L201 HydrophobicContact CB-CD2 4.19Å; F7-L201 HydrophobicContact CD1-CD1 4.1Å; F7-L201 HydrophobicContact CD1-CD2 4.05Å; F7-L201 HydrophobicContact CD2-CD2 3.96Å; F7-L201 HydrophobicContact CE1-CD2 4.45Å; F7-L201 HydrophobicContact CE2-CD2 4.37Å; F7-L201 HydrophobicContact CG-CD1 4.49Å; F7-L201 HydrophobicContact CG-CD2 3.8Å; P173-L201 HydrophobicContact CB-CD2 4.14Å; P173-L201 WeakPolarHBondContact O-CA 3.47Å; L174-L201 HydrophobicContact CD2-CD2 4.06Å; L201-E203 VanDerWaalsContact C-N 3.3Å; L201-E203 PolarHBondContact O-N 2.89Å; L201-P205 HydrophobicContact CD1-CG 4.36Å; L201-F216 HydrophobicContact CD1-CE2 4.23Å; L201-F216 HydrophobicContact CD2-CE2 4.18Å; L201-F216 HydrophobicContact CG-CE2 3.85Å; L201-F216 HydrophobicContact CG-CZ 4.24Å
202K96.5Very high95.5Very high63 Ų6343.8 Ų43.827%0.27425%0.253SS..SBendtrans-59.8-38.3178-74-177178.7-168.60113.2I3 D169 S172 P173 L174 E175I3-K202 HydrophobicContact CD1-CB 3.94Å; I3-K202 HydrophobicContact CD1-CD 4.36Å; D169-K202 PolarHBondContact O-NZ 2.87Å; D169-K202 VanDerWaalsContact OD1-CE 3.29Å; D169-K202 WeakPolarHBondContact OD1-CE 3.2Å; D169-K202 IonicContact OD1-NZ 3.61Å; D169-K202 PolarHBondContact OD1-NZ 2.84Å; D169-K202 IonicContact OD2-NZ 3.53Å; S172-K202 WeakPolarHBondContact O-CE 3.17Å; P173-K202 PolarHBondContact O-N 3.4Å; L174-K202 WeakPolarHBondContact O-CE 3.43Å; E175-K202 HydrophobicContact CB-CG 3.97Å
203E97.6Very high95.7Very high81 Ų8141.4 Ų41.438%0.37923%0.228SC..SBendtrans-128.6128.5174.3-57.2169.8-178.500107.8N2 I3 G4 L201N2-E203 VanDerWaalsContact CA-OE2 3.27Å; N2-E203 WeakPolarHBondContact CA-OE2 3.3Å; N2-E203 HydrophobicContact CB-CB 4.36Å; N2-E203 WeakPolarHBondContact CB-OE2 3.42Å; I3-E203 HydrophobicContact CB-CB 4.01Å; I3-E203 HydrophobicContact CB-CG 4.2Å; I3-E203 HydrophobicContact CD1-CG 4.19Å; I3-E203 HydrophobicContact CG1-CG 4.31Å; I3-E203 PolarHBondContact N-OE2 3.5Å; G4-E203 WeakPolarHBondContact CA-O 3.39Å; G4-E203 PolarHBondContact N-O 3.16Å; L201-E203 VanDerWaalsContact C-N 3.3Å; L201-E203 PolarHBondContact O-N 2.89Å
204P96.3Very high95.8Very high61 Ų6141.4 Ų41.440%0.39623%0.225SC..  trans-68.5142.3-176.327.4-34.5000111.4N2 P257 D258N2-P204 PolarHBondContact ND2-O 2.81Å; P204-P257 HydrophobicContact CB-CB 3.86Å; P204-P257 WeakPolarHBondContact CB-O 3.37Å; P204-D258 HydrophobicContact CB-CB 4.14Å; P204-D258 HydrophobicContact CG-CB 4.47Å
205P95.3Very high95.8Very high6 Ų636.5 Ų36.54%0.03920%0.203CC..  trans-65147.1171.126.8-33.7000110.9I8 L201 T207 L209 P257I8-P205 HydrophobicContact CG1-CB 3.85Å; I8-P205 HydrophobicContact CG1-CG 4.32Å; L201-P205 HydrophobicContact CD1-CG 4.36Å; P205-T207 PolarHBondContact O-N 2.89Å; P205-L209 HydrophobicContact CG-CD2 3.96Å; P205-L209 HydrophobicContact CG-CG 4.19Å; P205-P257 HydrophobicContact CG-CB 4Å
206S94.6Very high95.8Very high95 Ų9536.4 Ų36.466%0.66420%0.202SC*.SBendtrans-71-20173.261.10000113D5D5-S206 VanDerWaalsContact OD1-CB 3.27Å; D5-S206 WeakPolarHBondContact OD1-CB 3.38Å; D5-S206 PolarHBondContact OD1-N 3.21Å; D5-S206 PolarHBondContact OD1-OG 3.17Å
207T91.3Very high95.8Very high64 Ų6435.3 Ų35.339%0.39320%0.198SC..SBendtrans-103.4151.7178.859.30000111.7P205P205-T207 PolarHBondContact O-N 2.89Å
208S91.6Very high95.8Very high58 Ų5835.2 Ų35.241%0.40620%0.197SC..  trans-57.2142.6172162.90000112.1H210 E254S208-H210 PolarHBondContact O-N 3.42Å; S208-H210 WeakPolarHBondContact OG-CB 3.36Å; S208-H210 PolarHBondContact OG-N 2.95Å; S208-E254 PolarHBondContact OG-OE1 3.46Å
209L92.3Very high95.8Very high2 Ų234.5 Ų34.51%0.0119%0.194CC..SBendtrans-78.2-3.5173.5-71.5176000113.1I8 P205 S211 Y212 R213 F216 I255I8-L209 HydrophobicContact CD1-CD2 3.45Å; I8-L209 VanDerWaalsContact CD1-CD2 3.45Å; I8-L209 HydrophobicContact CG1-CD2 4.28Å; P205-L209 HydrophobicContact CG-CD2 3.96Å; P205-L209 HydrophobicContact CG-CG 4.19Å; L209-S211 VanDerWaalsContact C-N 3.3Å; L209-S211 PolarHBondContact O-N 3.41Å; L209-S211 VanDerWaalsContact O-N 3.1Å; L209-Y212 CarbonylContact O-C 3.35Å; L209-Y212 WeakPolarHBondContact O-CA 3.35Å; L209-Y212 PolarHBondContact O-N 3.2Å; L209-R213 WeakPolarHBondContact O-CA 3.46Å; L209-R213 PolarHBondContact O-N 2.84Å; L209-F216 HydrophobicContact CD1-CD1 4.17Å; L209-F216 HydrophobicContact CD1-CE1 4.29Å; L209-I255 HydrophobicContact CD1-CB 4.38Å; L209-I255 HydrophobicContact CD1-CG2 4.03Å
210H92.9Very high95.8Very high75 Ų7534.5 Ų34.535%0.34719%0.194SC..THydrogen-bonded Turntrans-52.2-40.8-169.1179.686.8000115.2R57 S208 Y212R57-H210 PolarHBondContact NH1-O 2.84Å; R57-H210 PolarHBondContact NH2-CE1 3.37Å; R57-H210 VanDerWaalsContact NH2-CE1 3.26Å; R57-H210 PolarHBondContact NH2-NE2 2.95Å; S208-H210 PolarHBondContact O-N 3.42Å; S208-H210 WeakPolarHBondContact OG-CB 3.36Å; S208-H210 PolarHBondContact OG-N 2.95Å; H210-Y212 VanDerWaalsContact C-N 3.32Å
211S93.3Very high95.8Very high91 Ų9131.6 Ų31.664%0.63618%0.183SC*.THydrogen-bonded Turntrans-83.3-9.2178.3-59.80000113.7L209L209-S211 VanDerWaalsContact C-N 3.3Å; L209-S211 PolarHBondContact O-N 3.41Å; L209-S211 VanDerWaalsContact O-N 3.1Å
212Y95.9Very high95.6Very high41 Ų4132.4 Ų32.416%0.16119%0.187CC..THydrogen-bonded Turntrans-118.8-2.5-172.8-57.8-74.7000112.6I8 L12 D13 M46 L209 H210 D214 A215 F216I8-Y212 HydrophobicContact CD1-CD2 4.19Å; I8-Y212 HydrophobicContact CD1-CG 4.11Å; I8-Y212 HydrophobicContact CG2-CD1 4.36Å; I8-Y212 HydrophobicContact CG2-CD2 3.71Å; I8-Y212 HydrophobicContact CG2-CE1 4.07Å; I8-Y212 HydrophobicContact CG2-CE2 3.38Å; I8-Y212 HydrophobicContact CG2-CG 4.19Å; L12-Y212 HydrophobicContact CB-CD1 3.81Å; L12-Y212 HydrophobicContact CB-CE1 4.26Å; L12-Y212 HydrophobicContact CD1-CD1 4.17Å; L12-Y212 HydrophobicContact CD1-CG 4.33Å; D13-Y212 HydrophobicContact CB-CE1 4.31Å; M46-Y212 HydrophobicContact CE-CD1 3.53Å; M46-Y212 HydrophobicContact CE-CE1 3.56Å; M46-Y212 HydrophobicContact SD-CD1 3.88Å; M46-Y212 HydrophobicContact SD-CE1 4.5Å; L209-Y212 CarbonylContact O-C 3.35Å; L209-Y212 WeakPolarHBondContact O-CA 3.35Å; L209-Y212 PolarHBondContact O-N 3.2Å; H210-Y212 VanDerWaalsContact C-N 3.32Å; Y212-D214 PolarHBondContact O-N 2.88Å; Y212-A215 PolarHBondContact O-N 2.98Å; Y212-F216 PolarHBondContact O-N 3.37Å
213R96.7Very high95.1Very high4 Ų429.6 Ų29.62%0.01518%0.176CC..Hα-helixtrans-48.3-56.3-171.3179.2-162.9179.4-989.6112.2L209 A215 F216 L217 H249 N250 I253 I255 L289L209-R213 WeakPolarHBondContact O-CA 3.46Å; L209-R213 PolarHBondContact O-N 2.84Å; R213-A215 VanDerWaalsContact C-N 3.34Å; R213-A215 PolarHBondContact O-N 2.82Å; R213-F216 WeakPolarHBondContact O-CB 3.49Å; R213-F216 PolarHBondContact O-N 2.79Å; R213-L217 HydrophobicContact CG-CD1 4.31Å; R213-L217 WeakPolarHBondContact O-CG 3.04Å; R213-L217 PolarHBondContact O-N 2.92Å; R213-H249 PolarHBondContact NH1-O 2.95Å; R213-H249 PolarHBondContact NH2-O 3.49Å; R213-N250 PolarHBondContact NH2-O 3.48Å; R213-I253 WeakPolarHBondContact CD-O 3.29Å; R213-I253 PolarHBondContact NE-O 3.19Å; R213-I255 HydrophobicContact CG-CD1 3.75Å; R213-I255 HydrophobicContact CG-CG1 4.14Å; R213-L289 VanDerWaalsContact NH2-CD2 3.34Å
214D97.8Very high94.6Very high9 Ų926.1 Ų26.15%0.04816%0.16CC..Hα-helixtrans-74-29.5-172.5-58.1-37.1000112.1L45 P58 Y212 L217 A218 F248L45-D214 HydrophobicContact CD2-CB 3.92Å; P58-D214 HydrophobicContact CB-CB 4.14Å; P58-D214 WeakPolarHBondContact CD-OD2 3.18Å; P58-D214 HydrophobicContact CG-CB 3.93Å; Y212-D214 PolarHBondContact O-N 2.88Å; D214-L217 PolarHBondContact O-N 3.3Å; D214-A218 WeakPolarHBondContact O-CB 3.41Å; D214-A218 PolarHBondContact O-N 3.33Å; D214-F248 HydrophobicContact CB-CD1 3.83Å; D214-F248 HydrophobicContact CB-CE1 3.82Å; D214-F248 HydrophobicContact CB-CG 4.27Å; D214-F248 HydrophobicContact CB-CZ 4.26Å; D214-F248 VanDerWaalsContact O-CE1 3.32Å; D214-F248 WeakPolarHBondContact O-CE1 3.32Å
215A98Very high94.4Very high3 Ų323.2 Ų23.23%0.02514%0.141CC..Hα-helixtrans-70-36.3171.200000111.6L12 A42 M46 Y212 R213 A218 Y219L12-A215 HydrophobicContact CD1-CB 4.29Å; L12-A215 HydrophobicContact CD2-CB 3.94Å; A42-A215 HydrophobicContact CB-CB 4.31Å; A42-A215 WeakPolarHBondContact CB-O 3.22Å; M46-A215 HydrophobicContact CG-CB 3.59Å; M46-A215 HydrophobicContact SD-CB 3.6Å; Y212-A215 PolarHBondContact O-N 2.98Å; R213-A215 VanDerWaalsContact C-N 3.34Å; R213-A215 PolarHBondContact O-N 2.82Å; A215-A218 PolarHBondContact O-N 2.87Å; A215-Y219 PolarHBondContact O-N 2.74Å
216F97.5Very high94.4Very high5 Ų523.8 Ų23.82%0.02214%0.143CC..Hα-helixtrans-63.5-45.9170.8175.8-122.9000111.3F7 L174 L201 L209 Y212 R213 A218 Y219 L220 I255F7-F216 HydrophobicContact CE1-CB 4.39Å; F7-F216 AromaticContact CE1-CD2 3.62Å; F7-F216 HydrophobicContact CE1-CD2 3.62Å; F7-F216 HydrophobicContact CE1-CE2 4.38Å; F7-F216 HydrophobicContact CE1-CG 4.42Å; F7-F216 AromaticContact CZ-CD2 3.76Å; F7-F216 HydrophobicContact CZ-CD2 3.76Å; F7-F216 HydrophobicContact CZ-CE2 4.45Å; L174-F216 HydrophobicContact CD2-CE2 4.38Å; L201-F216 HydrophobicContact CD1-CE2 4.23Å; L201-F216 HydrophobicContact CD2-CE2 4.18Å; L201-F216 HydrophobicContact CG-CE2 3.85Å; L201-F216 HydrophobicContact CG-CZ 4.24Å; L209-F216 HydrophobicContact CD1-CD1 4.17Å; L209-F216 HydrophobicContact CD1-CE1 4.29Å; Y212-F216 PolarHBondContact O-N 3.37Å; R213-F216 WeakPolarHBondContact O-CB 3.49Å; R213-F216 PolarHBondContact O-N 2.79Å; F216-A218 VanDerWaalsContact C-N 3.34Å; F216-A218 PolarHBondContact O-N 3.39Å; F216-Y219 WeakPolarHBondContact O-CA 3.32Å; F216-Y219 VanDerWaalsContact O-CB 3.32Å; F216-Y219 WeakPolarHBondContact O-CB 3.46Å; F216-Y219 PolarHBondContact O-N 3.47Å; F216-Y219 VanDerWaalsContact O-N 3.09Å; F216-L220 HydrophobicContact CD1-CD1 4.29Å; F216-L220 HydrophobicContact CD2-CD2 4.48Å; F216-L220 HydrophobicContact CD2-CG 4.34Å; F216-L220 HydrophobicContact CE1-CD1 3.77Å; F216-L220 HydrophobicContact CE1-CG 4.41Å; F216-L220 HydrophobicContact CE2-CD1 4.21Å; F216-L220 HydrophobicContact CE2-CD2 3.77Å; F216-L220 HydrophobicContact CE2-CG 3.99Å; F216-L220 HydrophobicContact CZ-CD1 3.74Å; F216-L220 HydrophobicContact CZ-CD2 3.94Å; F216-L220 HydrophobicContact CZ-CG 4.04Å; F216-L220 WeakPolarHBondContact O-CG 3.32Å; F216-L220 PolarHBondContact O-N 3.09Å; F216-I255 HydrophobicContact CD1-CD1 4.12Å; F216-I255 HydrophobicContact CE1-CG2 4.26Å
217L97.9Very high94.3Very high0 Ų021.1 Ų21.10%012%0.119CC..Hα-helixtrans-59.6-42.4174.2-67.6173.8000112.1R213 D214 Y219 L220 S221 F248 I255 I281 L289 A290R213-L217 HydrophobicContact CG-CD1 4.31Å; R213-L217 WeakPolarHBondContact O-CG 3.04Å; R213-L217 PolarHBondContact O-N 2.92Å; D214-L217 PolarHBondContact O-N 3.3Å; L217-Y219 VanDerWaalsContact C-N 3.3Å; L217-Y219 PolarHBondContact O-N 3.07Å; L217-L220 PolarHBondContact O-N 3.23Å; L217-S221 PolarHBondContact O-N 3.39Å; L217-F248 HydrophobicContact CB-CD1 4.43Å; L217-F248 HydrophobicContact CB-CE1 4.06Å; L217-F248 HydrophobicContact CD1-CD1 4.22Å; L217-I255 HydrophobicContact CD1-CD1 4.38Å; L217-I255 HydrophobicContact CD2-CD1 3.76Å; L217-I255 HydrophobicContact CG-CD1 3.99Å; L217-I281 HydrophobicContact CD2-CD1 4.4Å; L217-I281 HydrophobicContact CD2-CG2 3.68Å; L217-L289 HydrophobicContact CD1-CB 3.89Å; L217-L289 HydrophobicContact CD2-CB 4.05Å; L217-L289 HydrophobicContact CD2-CD1 4Å; L217-A290 HydrophobicContact CD1-CB 4.44Å
218A98.2Very high94.6Very high0 Ų018.1 Ų18.10%010%0.1CC..Hα-helixtrans-60.1-40.4173.500000111.7M41 L61 D214 A215 F216 S221 I246 F248M41-A218 HydrophobicContact CB-CB 4.21Å; L61-A218 HydrophobicContact CD2-CB 4.23Å; D214-A218 WeakPolarHBondContact O-CB 3.41Å; D214-A218 PolarHBondContact O-N 3.33Å; A215-A218 PolarHBondContact O-N 2.87Å; F216-A218 VanDerWaalsContact C-N 3.34Å; F216-A218 PolarHBondContact O-N 3.39Å; A218-S221 PolarHBondContact O-N 2.85Å; A218-S221 PolarHBondContact O-OG 3.4Å; A218-I246 HydrophobicContact CB-CD1 4.13Å; A218-F248 HydrophobicContact CB-CZ 4.43Å
219Y97.5Very high94.7Very high1 Ų115.4 Ų15.40%0.0048%0.082CC..Hα-helixtrans-62-44.2174.2-169-84.7000112.3F7 L11 Y36 G38 E39 A42 P173 L174 A215 F216 L217 S221F7-Y219 AromaticContact CE2-CD1 3.82Å; F7-Y219 HydrophobicContact CE2-CD1 3.82Å; F7-Y219 AromaticContact CE2-CD2 3.77Å; F7-Y219 HydrophobicContact CE2-CD2 3.77Å; F7-Y219 AromaticContact CE2-CE1 3.93Å; F7-Y219 HydrophobicContact CE2-CE1 3.93Å; F7-Y219 AromaticContact CE2-CE2 3.87Å; F7-Y219 HydrophobicContact CE2-CE2 3.87Å; F7-Y219 AromaticContact CE2-CG 3.76Å; F7-Y219 HydrophobicContact CE2-CG 3.76Å; F7-Y219 AromaticContact CE2-CZ 3.97Å; F7-Y219 HydrophobicContact CZ-CD1 4.07Å; F7-Y219 HydrophobicContact CZ-CD2 4.09Å; F7-Y219 AromaticContact CZ-CG 3.79Å; F7-Y219 HydrophobicContact CZ-CG 3.79Å; L11-Y219 HydrophobicContact CD1-CE2 3.97Å; L11-Y219 HydrophobicContact CD2-CD2 4.42Å; Y36-Y219 HydrophobicContact CD1-CD2 4.21Å; Y36-Y219 HydrophobicContact CD1-CE1 4.06Å; Y36-Y219 AromaticContact CD1-CE2 3.67Å; Y36-Y219 HydrophobicContact CD1-CE2 3.67Å; Y36-Y219 AromaticContact CD1-CZ 3.57Å; Y36-Y219 AromaticContact CE1-CD1 3.8Å; Y36-Y219 HydrophobicContact CE1-CD1 3.8Å; Y36-Y219 HydrophobicContact CE1-CD2 4.08Å; Y36-Y219 AromaticContact CE1-CE1 3.55Å; Y36-Y219 HydrophobicContact CE1-CE1 3.55Å; Y36-Y219 AromaticContact CE1-CE2 3.86Å; Y36-Y219 HydrophobicContact CE1-CE2 3.86Å; Y36-Y219 HydrophobicContact CE1-CG 4.04Å; Y36-Y219 AromaticContact CE1-CZ 3.56Å; Y36-Y219 WeakPolarHBondContact CE1-O 3.43Å; Y36-Y219 PolarHBondContact OH-O 3.2Å; G38-Y219 WeakPolarHBondContact O-CA 3.15Å; E39-Y219 HydrophobicContact CB-CD2 4.33Å; E39-Y219 HydrophobicContact CB-CE2 3.95Å; E39-Y219 HydrophobicContact CG-CE2 4.46Å; A42-Y219 HydrophobicContact CB-CD2 4.35Å; P173-Y219 WeakPolarHBondContact CD-OH 3.16Å; P173-Y219 HydrophobicContact CG-CE1 3.9Å; P173-Y219 WeakPolarHBondContact CG-OH 3.49Å; L174-Y219 HydrophobicContact CD1-CD1 3.97Å; L174-Y219 HydrophobicContact CD1-CE1 3.68Å; L174-Y219 HydrophobicContact CD2-CD1 4.17Å; L174-Y219 HydrophobicContact CD2-CE1 4.01Å; L174-Y219 HydrophobicContact CG-CD1 4.35Å; L174-Y219 HydrophobicContact CG-CE1 3.84Å; A215-Y219 PolarHBondContact O-N 2.74Å; F216-Y219 WeakPolarHBondContact O-CA 3.32Å; F216-Y219 VanDerWaalsContact O-CB 3.32Å; F216-Y219 WeakPolarHBondContact O-CB 3.46Å; F216-Y219 PolarHBondContact O-N 3.47Å; F216-Y219 VanDerWaalsContact O-N 3.09Å; L217-Y219 VanDerWaalsContact C-N 3.3Å; L217-Y219 PolarHBondContact O-N 3.07Å; Y219-S221 VanDerWaalsContact C-N 3.29Å; Y219-S221 PolarHBondContact O-N 2.78Å
220L96.5Very high94.9Very high0 Ų016.1 Ų16.10%09%0.085CC..Hα-helixtrans-65.7-31.8179-63.1-178.2000112.9L174 I199 F216 L217 D222 A223 I261L174-L220 HydrophobicContact CD1-CD2 3.8Å; L174-L220 HydrophobicContact CD2-CD2 3.65Å; L174-L220 HydrophobicContact CG-CD2 4.37Å; I199-L220 HydrophobicContact CD1-CD2 4Å; I199-L220 HydrophobicContact CG1-CD2 4.12Å; I199-L220 HydrophobicContact CG2-CD1 3.85Å; I199-L220 HydrophobicContact CG2-CD2 3.84Å; I199-L220 HydrophobicContact CG2-CG 4.31Å; F216-L220 HydrophobicContact CD1-CD1 4.29Å; F216-L220 HydrophobicContact CD2-CD2 4.48Å; F216-L220 HydrophobicContact CD2-CG 4.34Å; F216-L220 HydrophobicContact CE1-CD1 3.77Å; F216-L220 HydrophobicContact CE1-CG 4.41Å; F216-L220 HydrophobicContact CE2-CD1 4.21Å; F216-L220 HydrophobicContact CE2-CD2 3.77Å; F216-L220 HydrophobicContact CE2-CG 3.99Å; F216-L220 HydrophobicContact CZ-CD1 3.74Å; F216-L220 HydrophobicContact CZ-CD2 3.94Å; F216-L220 HydrophobicContact CZ-CG 4.04Å; F216-L220 WeakPolarHBondContact O-CG 3.32Å; F216-L220 PolarHBondContact O-N 3.09Å; L217-L220 PolarHBondContact O-N 3.23Å; L220-D222 VanDerWaalsContact C-N 3.26Å; L220-D222 PolarHBondContact O-N 3.19Å; L220-A223 WeakPolarHBondContact O-CB 3.13Å; L220-A223 PolarHBondContact O-N 2.71Å; L220-I261 HydrophobicContact CD1-CB 4.3Å; L220-I261 HydrophobicContact CD1-CG1 4.42Å; L220-I261 HydrophobicContact CD1-CG2 4.08Å
221S96.5Very high94.9Very high0 Ų014.2 Ų14.20%08%0.079CC..Hα-helixtrans-61.3-27.1-171.473.80000115.1M41 L217 A218 Y219 A223 L225 Q244 I246M41-S221 WeakPolarHBondContact CE-OG 3.46Å; L217-S221 PolarHBondContact O-N 3.39Å; A218-S221 PolarHBondContact O-N 2.85Å; A218-S221 PolarHBondContact O-OG 3.4Å; Y219-S221 VanDerWaalsContact C-N 3.29Å; Y219-S221 PolarHBondContact O-N 2.78Å; S221-A223 VanDerWaalsContact C-N 3.32Å; S221-L225 WeakPolarHBondContact O-CD1 3.32Å; S221-Q244 VanDerWaalsContact CB-NE2 3.32Å; S221-Q244 PolarHBondContact O-NE2 2.81Å; S221-Q244 PolarHBondContact OG-NE2 2.86Å; S221-I246 WeakPolarHBondContact OG-CD1 3.49Å
222D93Very high95Very high21 Ų2113.5 Ų13.511%0.1127%0.066CC..THydrogen-bonded Turntrans-84.5-2.8179.5-17249.5000113Y36 G37 G38 M41 L220 T241Y36-D222 WeakPolarHBondContact CD2-OD2 3.25Å; Y36-D222 HydrophobicContact CE1-CB 4.44Å; Y36-D222 HydrophobicContact CE2-CB 3.82Å; Y36-D222 WeakPolarHBondContact CE2-OD2 3.39Å; G37-D222 VanDerWaalsContact CA-OD2 3.24Å; G37-D222 WeakPolarHBondContact CA-OD2 3.33Å; G37-D222 PolarHBondContact N-OD2 3.33Å; G38-D222 VanDerWaalsContact N-CB 3.28Å; G38-D222 PolarHBondContact N-OD2 2.76Å; G38-D222 VanDerWaalsContact N-OD2 3.14Å; M41-D222 HydrophobicContact CE-CB 4.15Å; L220-D222 VanDerWaalsContact C-N 3.26Å; L220-D222 PolarHBondContact O-N 3.19Å; D222-T241 PolarHBondContact OD1-OG1 2.86Å
223A87.4Confident94.9Very high5 Ų513.9 Ų13.94%0.0417%0.073CC..THydrogen-bonded Turntrans-66.8-45.4-170.600000112.9Y36 I199 L220 S221 L263Y36-A223 WeakPolarHBondContact OH-CA 3.44Å; Y36-A223 PolarHBondContact OH-N 2.69Å; I199-A223 HydrophobicContact CD1-CB 3.93Å; L220-A223 WeakPolarHBondContact O-CB 3.13Å; L220-A223 PolarHBondContact O-N 2.71Å; S221-A223 VanDerWaalsContact C-N 3.32Å; A223-L263 HydrophobicContact CB-CD2 4.44Å
224F86.6Confident94.7Very high7 Ų718.8 Ų18.83%0.03110%0.096CC..THydrogen-bonded Turntrans-1341.2-168.8-63-63.8000116.6Y165 T176 F178 S197 I199 L226 W227 V228 L263Y165-F224 HydrophobicContact CE2-CE1 4.01Å; Y165-F224 AromaticContact CE2-CZ 3.99Å; Y165-F224 HydrophobicContact CE2-CZ 3.99Å; T176-F224 HydrophobicContact CG2-CD2 4.43Å; T176-F224 HydrophobicContact CG2-CE2 3.36Å; T176-F224 HydrophobicContact CG2-CZ 3.56Å; F178-F224 AromaticContact CE1-CD1 3.83Å; F178-F224 HydrophobicContact CE1-CD1 3.83Å; F178-F224 AromaticContact CE1-CE1 3.26Å; F178-F224 HydrophobicContact CE1-CE1 3.26Å; F178-F224 HydrophobicContact CE1-CE2 4.05Å; F178-F224 HydrophobicContact CE1-CG 4.46Å; F178-F224 AromaticContact CE1-CZ 3.38Å; F178-F224 HydrophobicContact CE1-CZ 3.38Å; F178-F224 HydrophobicContact CZ-CD1 4.38Å; F178-F224 AromaticContact CZ-CE1 3.45Å; F178-F224 HydrophobicContact CZ-CE1 3.45Å; F178-F224 VanDerWaalsContact CZ-CE1 3.45Å; F178-F224 AromaticContact CZ-CZ 3.59Å; F178-F224 HydrophobicContact CZ-CZ 3.59Å; S197-F224 WeakPolarHBondContact OG-CD2 3.46Å; I199-F224 HydrophobicContact CD1-CE2 4.09Å; F224-L226 PolarHBondContact O-N 2.76Å; F224-W227 HydrophobicContact CD1-CB 4.31Å; F224-W227 HydrophobicContact CD1-CG 4.21Å; F224-W227 PolarHBondContact O-N 2.89Å; F224-W227 VanDerWaalsContact O-N 3.12Å; F224-V228 PolarHBondContact O-N 3.25Å; F224-V228 VanDerWaalsContact O-N 3.14Å; F224-L263 HydrophobicContact CD2-CD2 4.42Å
225L92.4Very high94.4Very high0 Ų022.6 Ų22.60%011%0.113CC..Hα-helixtrans-66.5-33.6-179.4-79.9177.7000114.4S221 V228 T265 S277 Y278 M292 Q294S221-L225 WeakPolarHBondContact O-CD1 3.32Å; L225-V228 WeakPolarHBondContact O-CG1 3.48Å; L225-T265 HydrophobicContact CD2-CG2 3.9Å; L225-T265 HydrophobicContact CG-CG2 4.47Å; L225-S277 WeakPolarHBondContact O-CB 3.38Å; L225-S277 PolarHBondContact O-OG 2.8Å; L225-Y278 WeakPolarHBondContact CD2-O 3.4Å; L225-M292 HydrophobicContact CD1-CB 4.12Å; L225-M292 HydrophobicContact CD1-CE 4.33Å; L225-M292 HydrophobicContact CD1-CG 3.85Å; L225-M292 HydrophobicContact CD1-SD 3.58Å; L225-M292 VanDerWaalsContact CD1-SD 3.58Å; L225-M292 HydrophobicContact CD2-CE 4.02Å; L225-M292 HydrophobicContact CD2-CG 4.26Å; L225-M292 HydrophobicContact CD2-SD 4.27Å; L225-M292 HydrophobicContact CG-CE 4.07Å; L225-M292 HydrophobicContact CG-CG 4.46Å; L225-M292 HydrophobicContact CG-SD 3.98Å; L225-Q294 HydrophobicContact CB-CB 4.21Å; L225-Q294 HydrophobicContact CD1-CB 3.73Å; L225-Q294 VanDerWaalsContact CD1-OE1 3.27Å
226L94Very high94.1Very high18 Ų1824.4 Ų24.49%0.09412%0.124CC..Hα-helixtrans-73.2-33.1171.1-68.9-177.2000112.1F224 A229 L239 T241F224-L226 PolarHBondContact O-N 2.76Å; L226-A229 WeakPolarHBondContact O-CB 3.46Å; L226-A229 PolarHBondContact O-N 3.24Å; L226-L239 HydrophobicContact CB-CD1 4.01Å; L226-L239 HydrophobicContact CB-CD2 3.96Å; L226-L239 HydrophobicContact CB-CG 4Å; L226-L239 HydrophobicContact CD1-CD1 4.12Å; L226-L239 HydrophobicContact CD1-CD2 4.42Å; L226-L239 HydrophobicContact CD1-CG 3.75Å; L226-L239 HydrophobicContact CD2-CD1 4.25Å; L226-L239 HydrophobicContact CG-CD1 4.34Å; L226-L239 HydrophobicContact CG-CG 4.36Å; L226-T241 WeakPolarHBondContact CD1-OG1 3.29Å
227W93.6Very high93.7Very high40 Ų4028 Ų2815%0.15214%0.143CC..Hα-helixtrans-69.6-37-174.9-72.788.2000112.4R161 V184 F224 A229 L230R161-W227 HydrophobicContact CB-CZ3 4.46Å; R161-W227 HydrophobicContact CG-CZ3 4.38Å; V184-W227 HydrophobicContact CG1-CE3 4.15Å; V184-W227 HydrophobicContact CG1-CZ3 4.49Å; F224-W227 HydrophobicContact CD1-CB 4.31Å; F224-W227 HydrophobicContact CD1-CG 4.21Å; F224-W227 PolarHBondContact O-N 2.89Å; F224-W227 VanDerWaalsContact O-N 3.12Å; W227-A229 PolarHBondContact O-N 2.98Å; W227-L230 HydrophobicContact CE3-CD1 4.15Å; W227-L230 WeakPolarHBondContact O-CB 3.46Å; W227-L230 PolarHBondContact O-N 3.01Å
228V96.7Very high93.3Very high0 Ų031.9 Ų31.90%016%0.158CC..Hα-helixtrans-62.7-25.8175.769.90000112.9G193 L195 F224 L225 L230 T265 A267G193-V228 WeakPolarHBondContact O-CG2 3.17Å; L195-V228 HydrophobicContact CB-CB 4.39Å; L195-V228 HydrophobicContact CB-CG2 4.19Å; L195-V228 HydrophobicContact CD1-CB 3.94Å; L195-V228 HydrophobicContact CD1-CG2 4.27Å; L195-V228 HydrophobicContact CG-CB 4.21Å; L195-V228 HydrophobicContact CG-CG2 4Å; F224-V228 PolarHBondContact O-N 3.25Å; F224-V228 VanDerWaalsContact O-N 3.14Å; L225-V228 WeakPolarHBondContact O-CG1 3.48Å; V228-L230 VanDerWaalsContact C-N 3.27Å; V228-L230 PolarHBondContact O-N 2.98Å; V228-T265 WeakPolarHBondContact CB-OG1 3.5Å; V228-A267 HydrophobicContact CG2-CB 4.39Å
229A95.1Very high93Very high2 Ų234.1 Ų34.12%0.01717%0.17CC..THydrogen-bonded Turntrans-77.3-9.4175.500000113.8L226 W227 T231 V270 T275L226-A229 WeakPolarHBondContact O-CB 3.46Å; L226-A229 PolarHBondContact O-N 3.24Å; W227-A229 PolarHBondContact O-N 2.98Å; A229-T231 PolarHBondContact O-N 3.12Å; A229-V270 HydrophobicContact CB-CG2 4.06Å; A229-V270 WeakPolarHBondContact O-CG2 3.4Å; A229-T275 HydrophobicContact CB-CG2 3.55Å
230L95.1Very high92.8Very high17 Ų1735.8 Ų35.89%0.08918%0.18CC..  trans-84.660.4174.3-55.9-174.8000110.8W227 V228 E232 V236 L239 V298W227-L230 HydrophobicContact CE3-CD1 4.15Å; W227-L230 WeakPolarHBondContact O-CB 3.46Å; W227-L230 PolarHBondContact O-N 3.01Å; V228-L230 VanDerWaalsContact C-N 3.27Å; V228-L230 PolarHBondContact O-N 2.98Å; L230-E232 VanDerWaalsContact C-N 3.3Å; L230-E232 PolarHBondContact O-N 3.26Å; L230-V236 HydrophobicContact CD1-CG2 4.04Å; L230-V236 HydrophobicContact CD2-CG2 3.7Å; L230-V236 HydrophobicContact CG-CG2 4.47Å; L230-L239 HydrophobicContact CD1-CD2 4.03Å; L230-L239 HydrophobicContact CD2-CD1 4.35Å; L230-L239 HydrophobicContact CD2-CD2 4.35Å; L230-L239 HydrophobicContact CG-CD2 4.43Å; L230-V298 HydrophobicContact CD2-CG2 3.81Å
231T93.8Very high92.7Very high35 Ų3536.6 Ų36.622%0.21519%0.185CC..  trans-66.4-30.4-170.258.90000113.7S189 N190 A229 A267S189-T231 CarbonylContact C-O 3.56Å; S189-T231 WeakPolarHBondContact CA-O 3.4Å; N190-T231 PolarHBondContact N-O 2.79Å; A229-T231 PolarHBondContact O-N 3.12Å; T231-A267 HydrophobicContact CG2-CB 4.2Å
232E94.4Very high92.7Very high76 Ų7639.1 Ų39.136%0.35520%0.198SC..SBendtrans-106.6152.3177.6-65.6-55.5138.100111.5R161 S189 L230 H234R161-E232 PolarHBondContact NH2-O 2.9Å; S189-E232 WeakPolarHBondContact CB-OE2 3.37Å; S189-E232 PolarHBondContact OG-OE2 2.82Å; L230-E232 VanDerWaalsContact C-N 3.3Å; L230-E232 PolarHBondContact O-N 3.26Å; E232-H234 WeakPolarHBondContact CB-ND1 3.23Å; E232-H234 PolarHBondContact O-N 3.37Å
233P93.4Very high93Very high48 Ų4839.7 Ų39.731%0.31220%0.201SC..  trans-76.657178.334.6-37.8000111.7V157 G186 S189V157-P233 HydrophobicContact CG1-CB 4.36Å; G186-P233 VanDerWaalsContact O-CB 3.24Å; G186-P233 WeakPolarHBondContact O-CB 3.32Å; S189-P233 WeakPolarHBondContact OG-CD 3.27Å
234H92.7Very high93.5Very high108 Ų10839.5 Ų39.550%0.520%0.199SC..  trans-89.6152172.5-66.6129.7000111.6R161 E232 T300R161-H234 PolarHBondContact NH2-O 3.48Å; E232-H234 WeakPolarHBondContact CB-ND1 3.23Å; E232-H234 PolarHBondContact O-N 3.37Å; H234-T300 HydrophobicContact CB-CG2 3.92Å
235H91.5Very high94.1Very high89 Ų8940.3 Ų40.341%0.41221%0.206SC..  trans-66.3135165.1-173.5-88.1000109.7V157 L237 T300V157-H235 HydrophobicContact CG2-CB 4.31Å; H235-L237 VanDerWaalsContact CE1-CD2 3.47Å; H235-L237 WeakPolarHBondContact CE1-CD2 3.21Å; H235-T300 WeakPolarHBondContact O-CA 3.18Å; H235-T300 WeakPolarHBondContact O-CB 3.27Å
236V91.9Very high94.4Very high41 Ų4140.3 Ų40.325%0.24821%0.206CC..  trans-114.4114.4-179.3-178.50000108.4L230 L239 V298L230-V236 HydrophobicContact CD1-CG2 4.04Å; L230-V236 HydrophobicContact CD2-CG2 3.7Å; L230-V236 HydrophobicContact CG-CG2 4.47Å; V236-L239 HydrophobicContact CG1-CB 3.78Å; V236-V298 HydrophobicContact CG1-CG2 4.09Å
237L89.8Confident94.6Very high81 Ų8144.4 Ų44.442%0.42422%0.22SC..SBendtrans-86.5-34.4179.6-69164.2000111.7H235 R299 Q302H235-L237 VanDerWaalsContact CE1-CD2 3.47Å; H235-L237 WeakPolarHBondContact CE1-CD2 3.21Å; L237-R299 PolarHBondContact N-O 3.19Å; L237-Q302 HydrophobicContact CD1-CB 4.4Å; L237-Q302 HydrophobicContact CD1-CG 3.82Å; L237-Q302 VanDerWaalsContact CD1-N 3.28Å
238Y89.2Confident94.8Very high81 Ų8143.2 Ų43.232%0.31822%0.216SC..EExtended strand (participates in β ladder)trans-144.8128.8-178-161.6-121.3000110.2R68 V240 L297 V298 R299R68-Y238 PolarHBondContact NH2-OH 3.11Å; Y238-V240 HydrophobicContact CD1-CG2 4.21Å; Y238-V240 HydrophobicContact CE1-CB 4.39Å; Y238-V240 HydrophobicContact CE1-CG1 3.9Å; Y238-V240 HydrophobicContact CE1-CG2 3.54Å; Y238-V240 HydrophobicContact CE2-CG1 3.77Å; Y238-V240 VanDerWaalsContact CZ-CG1 3.46Å; Y238-L297 HydrophobicContact CD1-CD2 3.83Å; Y238-L297 HydrophobicContact CD1-CG 4.36Å; Y238-L297 HydrophobicContact CE1-CD2 3.75Å; Y238-V298 CarbonylContact O-C 3.56Å; Y238-V298 WeakPolarHBondContact O-CA 3.48Å; Y238-R299 PolarHBondContact N-O 2.99Å; Y238-R299 PolarHBondContact O-N 3.1Å
239L91.9Very high94.8Very high47 Ų4745.9 Ų45.925%0.24623%0.229CC..EExtended strand (participates in β ladder)trans-144.4114.9178.4-174.560.7000108.4L226 L230 V236 L297 V298L226-L239 HydrophobicContact CB-CD1 4.01Å; L226-L239 HydrophobicContact CB-CD2 3.96Å; L226-L239 HydrophobicContact CB-CG 4Å; L226-L239 HydrophobicContact CD1-CD1 4.12Å; L226-L239 HydrophobicContact CD1-CD2 4.42Å; L226-L239 HydrophobicContact CD1-CG 3.75Å; L226-L239 HydrophobicContact CD2-CD1 4.25Å; L226-L239 HydrophobicContact CG-CD1 4.34Å; L226-L239 HydrophobicContact CG-CG 4.36Å; L230-L239 HydrophobicContact CD1-CD2 4.03Å; L230-L239 HydrophobicContact CD2-CD1 4.35Å; L230-L239 HydrophobicContact CD2-CD2 4.35Å; L230-L239 HydrophobicContact CG-CD2 4.43Å; V236-L239 HydrophobicContact CG1-CB 3.78Å; L239-L297 WeakPolarHBondContact CA-O 3.24Å; L239-V298 HydrophobicContact CD1-CB 3.97Å; L239-V298 HydrophobicContact CD1-CG2 4.07Å
240V93.3Very high94.8Very high35 Ų3548.5 Ų48.521%0.21224%0.242CC..EExtended strand (participates in β ladder)trans-144149.6-179.8-65.10000111Y238 G296 L297Y238-V240 HydrophobicContact CD1-CG2 4.21Å; Y238-V240 HydrophobicContact CE1-CB 4.39Å; Y238-V240 HydrophobicContact CE1-CG1 3.9Å; Y238-V240 HydrophobicContact CE1-CG2 3.54Å; Y238-V240 HydrophobicContact CE2-CG1 3.77Å; Y238-V240 VanDerWaalsContact CZ-CG1 3.46Å; V240-G296 CarbonylContact O-C 3.51Å; V240-G296 WeakPolarHBondContact O-CA 3.29Å; V240-L297 HydrophobicContact CG2-CB 3.88Å; V240-L297 HydrophobicContact CG2-CD2 4.14Å; V240-L297 HydrophobicContact CG2-CG 4.48Å; V240-L297 PolarHBondContact N-O 3.07Å; V240-L297 VanDerWaalsContact N-O 3.09Å; V240-L297 PolarHBondContact O-N 3.08Å
241T95.4Very high94.7Very high17 Ų1749.3 Ų49.310%0.10425%0.249CC..EExtended strand (participates in β ladder)trans-77.9135.1169.4-53.30000109.3F65 D222 L226 Q244 Q294F65-T241 HydrophobicContact CD2-CG2 3.63Å; F65-T241 HydrophobicContact CE2-CG2 3.41Å; F65-T241 VanDerWaalsContact CE2-CG2 3.41Å; F65-T241 HydrophobicContact CZ-CG2 4.39Å; D222-T241 PolarHBondContact OD1-OG1 2.86Å; L226-T241 WeakPolarHBondContact CD1-OG1 3.29Å; T241-Q244 HydrophobicContact CG2-CB 4.45Å; T241-Q294 HydrophobicContact CG2-CG 3.61Å; T241-Q294 PolarHBondContact OG1-NE2 3.19Å
242L96.3Very high94.7Very high53 Ų5353.9 Ų53.928%0.27727%0.268SS..EExtended strand (participates in β ladder)trans-96.3-46.2173.7-63.8177.4000110.8F65 L274 Q295 L297F65-L242 PolarHBondContact N-O 3.42Å; L242-L274 HydrophobicContact CD1-CD2 3.75Å; L242-Q295 HydrophobicContact CD1-CG 4.44Å; L242-Q295 PolarHBondContact N-O 3.12Å; L242-L297 HydrophobicContact CD1-CB 4.24Å; L242-L297 HydrophobicContact CD2-CB 4.13Å; L242-L297 HydrophobicContact CG-CB 4.17Å
243N98.1Very high94.6Very high33 Ų3352 Ų5218%0.17626%0.259CS..EExtended strand (participates in β ladder)trans-153.9157177.958.470000110.5C63 Y64 Q294 Q295C63-N243 WeakPolarHBondContact O-CA 3.45Å; C63-N243 WeakPolarHBondContact O-CB 3.46Å; Y64-N243 HydrophobicContact CD1-CB 3.65Å; Y64-N243 HydrophobicContact CE1-CB 3.73Å; Y64-N243 HydrophobicContact CG-CB 4.23Å; N243-Q294 WeakPolarHBondContact O-CG 3.48Å; N243-Q295 PolarHBondContact N-O 2.98Å; N243-Q295 PolarHBondContact ND2-OE1 3.43Å; N243-Q295 PolarHBondContact O-N 3.38Å; N243-Q295 VanDerWaalsContact O-N 3.08Å; N243-Q295 WeakPolarHBondContact OD1-CB 3.48Å
244Q98.4Very high94.6Very high1 Ų154.1 Ų54.11%0.00527%0.265CS..EExtended strand (participates in β ladder)trans-146.6145.3177.1-172.61691.700110.8M41 H62 C63 F65 S221 T241 I246 A293 Q294M41-Q244 HydrophobicContact SD-CB 4.18Å; M41-Q244 HydrophobicContact SD-CG 4.28Å; H62-Q244 WeakPolarHBondContact CA-O 3.32Å; C63-Q244 PolarHBondContact N-O 3.22Å; C63-Q244 PolarHBondContact O-N 2.83Å; C63-Q244 VanDerWaalsContact O-N 3.15Å; C63-Q244 PolarHBondContact SG-O 3.14Å; F65-Q244 HydrophobicContact CE2-CB 4.43Å; S221-Q244 VanDerWaalsContact CB-NE2 3.32Å; S221-Q244 PolarHBondContact O-NE2 2.81Å; S221-Q244 PolarHBondContact OG-NE2 2.86Å; T241-Q244 HydrophobicContact CG2-CB 4.45Å; Q244-I246 HydrophobicContact CG-CG1 4.41Å; Q244-A293 WeakPolarHBondContact CA-O 3.45Å; Q244-Q294 HydrophobicContact CB-CB 4.47Å; Q244-Q294 HydrophobicContact CB-CG 4.32Å; Q244-Q294 HydrophobicContact CG-CB 4.17Å; Q244-Q294 HydrophobicContact CG-CG 4.4Å
245S98.7Very high94.7Very high25 Ų2549.1 Ų49.118%0.17524%0.242CC..EExtended strand (participates in β ladder)trans-125.7139.9173.5-62.80000109.7L61 H62 M292 A293L61-S245 WeakPolarHBondContact O-CA 3.42Å; H62-S245 VanDerWaalsContact ND1-CB 3.3Å; H62-S245 WeakPolarHBondContact ND1-CB 3.5Å; H62-S245 PolarHBondContact ND1-OG 3.25Å; S245-M292 VanDerWaalsContact O-CA 3.27Å; S245-M292 WeakPolarHBondContact O-CA 3.41Å; S245-A293 PolarHBondContact N-O 2.71Å; S245-A293 PolarHBondContact O-N 2.82Å
246I98.8Very high94.8Very high0 Ų050.3 Ų50.30%025%0.246CC..EExtended strand (participates in β ladder)trans-132.9135.4177.1-49.3176000108.3M41 S60 L61 A218 S221 Q244 F248 A290 S291 M292M41-I246 HydrophobicContact SD-CD1 4.3Å; S60-I246 CarbonylContact C-O 3.56Å; S60-I246 WeakPolarHBondContact CA-O 3.49Å; L61-I246 HydrophobicContact CD1-CB 4.23Å; L61-I246 HydrophobicContact CD1-CD1 4.02Å; L61-I246 HydrophobicContact CD1-CG1 3.98Å; L61-I246 HydrophobicContact CD2-CD1 4.29Å; L61-I246 HydrophobicContact CG-CB 4.07Å; L61-I246 HydrophobicContact CG-CD1 4.33Å; L61-I246 HydrophobicContact CG-CG1 4.32Å; L61-I246 PolarHBondContact N-O 2.86Å; L61-I246 PolarHBondContact O-N 2.74Å; A218-I246 HydrophobicContact CB-CD1 4.13Å; S221-I246 WeakPolarHBondContact OG-CD1 3.49Å; Q244-I246 HydrophobicContact CG-CG1 4.41Å; I246-F248 HydrophobicContact CB-CE2 4.46Å; I246-F248 HydrophobicContact CB-CZ 4.21Å; I246-F248 HydrophobicContact CG2-CD1 4.19Å; I246-F248 HydrophobicContact CG2-CE1 3.77Å; I246-F248 HydrophobicContact CG2-CE2 4.27Å; I246-F248 HydrophobicContact CG2-CZ 3.81Å; I246-A290 HydrophobicContact CG2-CB 3.97Å; I246-S291 CarbonylContact C-O 3.59Å; I246-S291 WeakPolarHBondContact CA-O 3.36Å; I246-M292 HydrophobicContact CG1-CB 4.42Å
247W98.6Very high94.6Very high103 Ų10350.2 Ų50.239%0.3925%0.247SC..EExtended strand (participates in β ladder)trans-114.3123.6170-61-90.4000108.3N59 H62 H249 A290 S291 A293N59-W247 WeakPolarHBondContact O-CA 3.11Å; H62-W247 AromaticContact CE1-CE2 3.98Å; H62-W247 AromaticContact CE1-CZ2 3.82Å; H62-W247 AromaticContact CE1-NE1 3.95Å; W247-H249 PolarHBondContact O-NE2 3.28Å; W247-A290 CarbonylContact O-C 3.56Å; W247-A290 WeakPolarHBondContact O-CA 3.41Å; W247-A290 WeakPolarHBondContact O-CB 3.36Å; W247-S291 PolarHBondContact N-O 2.74Å; W247-S291 PolarHBondContact O-N 3.28Å; W247-A293 HydrophobicContact CH2-CB 4.27Å; W247-A293 HydrophobicContact CZ3-CB 4.05Å
248F98Very high94.6Very high15 Ų1550.9 Ų50.97%0.06625%0.25CS..EExtended strand (participates in β ladder)trans-94.2136.2-177.1-58.6-80000110.2L45 P58 N59 L61 D214 L217 A218 I246 A290L45-F248 HydrophobicContact CD2-CE2 4.07Å; L45-F248 HydrophobicContact CD2-CZ 3.76Å; P58-F248 HydrophobicContact CB-CD2 3.71Å; P58-F248 HydrophobicContact CB-CE2 4Å; P58-F248 HydrophobicContact CB-CG 4.36Å; N59-F248 PolarHBondContact O-N 3.42Å; L61-F248 HydrophobicContact CD2-CE2 3.83Å; L61-F248 HydrophobicContact CD2-CZ 3.68Å; L61-F248 HydrophobicContact CG-CE2 4.12Å; L61-F248 HydrophobicContact CG-CZ 4.31Å; D214-F248 HydrophobicContact CB-CD1 3.83Å; D214-F248 HydrophobicContact CB-CE1 3.82Å; D214-F248 HydrophobicContact CB-CG 4.27Å; D214-F248 HydrophobicContact CB-CZ 4.26Å; D214-F248 VanDerWaalsContact O-CE1 3.32Å; D214-F248 WeakPolarHBondContact O-CE1 3.32Å; L217-F248 HydrophobicContact CB-CD1 4.43Å; L217-F248 HydrophobicContact CB-CE1 4.06Å; L217-F248 HydrophobicContact CD1-CD1 4.22Å; A218-F248 HydrophobicContact CB-CZ 4.43Å; I246-F248 HydrophobicContact CB-CE2 4.46Å; I246-F248 HydrophobicContact CB-CZ 4.21Å; I246-F248 HydrophobicContact CG2-CD1 4.19Å; I246-F248 HydrophobicContact CG2-CE1 3.77Å; I246-F248 HydrophobicContact CG2-CE2 4.27Å; I246-F248 HydrophobicContact CG2-CZ 3.81Å; F248-A290 HydrophobicContact CD1-CB 4.24Å
249H96.3Very high94.9Very high57 Ų5747.8 Ų47.826%0.26424%0.239SC..  trans-125.1155.6-174.3-52.2-61.5000110.4R213 W247 L288 L289 S291R213-H249 PolarHBondContact NH1-O 2.95Å; R213-H249 PolarHBondContact NH2-O 3.49Å; W247-H249 PolarHBondContact O-NE2 3.28Å; H249-L288 WeakPolarHBondContact CB-O 3.44Å; H249-L289 PolarHBondContact N-O 2.86Å; H249-L289 VanDerWaalsContact O-O 3.12Å; H249-S291 PolarHBondContact NE2-N 3.07Å; H249-S291 PolarHBondContact NE2-OG 3.1Å
250N94.4Very high95.1Very high56 Ų5646.5 Ų46.530%0.29923%0.231SC..  trans4758.2174.7-55.1-48.3000113.5R213 E252 I253 L288R213-N250 PolarHBondContact NH2-O 3.48Å; N250-E252 WeakPolarHBondContact CA-OE1 3.36Å; N250-E252 WeakPolarHBondContact CA-OE2 3.28Å; N250-E252 WeakPolarHBondContact CB-OE1 3.48Å; N250-E252 PolarHBondContact O-N 2.67Å; N250-E252 VanDerWaalsContact O-N 3.08Å; N250-I253 HydrophobicContact CB-CB 4.38Å; N250-I253 HydrophobicContact CB-CD1 3.53Å; N250-I253 HydrophobicContact CB-CG1 3.86Å; N250-I253 WeakPolarHBondContact O-CB 3.28Å; N250-I253 PolarHBondContact O-N 3.03Å; N250-L288 PolarHBondContact ND2-O 2.83Å
251P94.1Very high95.3Very high34 Ų3444.9 Ų44.922%0.22122%0.221CC..THydrogen-bonded Turntrans-63.1-15.3-174.128.6-37.3000114.2R57R57-P251 HydrophobicContact CB-CB 3.97Å; R57-P251 HydrophobicContact CG-CB 3.97Å
252E92.7Very high95.5Very high132 Ų13244 Ų4462%0.61722%0.216SC*.THydrogen-bonded Turntrans-75.8-19.8173.171.9-69.1163.300113.8N250 E254N250-E252 WeakPolarHBondContact CA-OE1 3.36Å; N250-E252 WeakPolarHBondContact CA-OE2 3.28Å; N250-E252 WeakPolarHBondContact CB-OE1 3.48Å; N250-E252 PolarHBondContact O-N 2.67Å; N250-E252 VanDerWaalsContact O-N 3.08Å; E252-E254 PolarHBondContact O-N 2.84Å
253I94Very high95.5Very high35 Ų3541.6 Ų41.618%0.17920%0.203CC..SBendtrans-80113178.9-60.7-178.3000109.2R213 N250 C287 L289R213-I253 WeakPolarHBondContact CD-O 3.29Å; R213-I253 PolarHBondContact NE-O 3.19Å; N250-I253 HydrophobicContact CB-CB 4.38Å; N250-I253 HydrophobicContact CB-CD1 3.53Å; N250-I253 HydrophobicContact CB-CG1 3.86Å; N250-I253 WeakPolarHBondContact O-CB 3.28Å; N250-I253 PolarHBondContact O-N 3.03Å; I253-C287 HydrophobicContact CD1-CB 3.39Å; I253-L289 HydrophobicContact CB-CD2 4.38Å; I253-L289 HydrophobicContact CG2-CD2 3.99Å
254E92.9Very high95.5Very high94 Ų9440.3 Ų40.344%0.43920%0.198SC..PPolyproline II helixtrans-76.8141.6174.8-172.7169-171.300111.3S208 E252S208-E254 PolarHBondContact OG-OE1 3.46Å; E252-E254 PolarHBondContact O-N 2.84Å
255I94.5Very high95.5Very high2 Ų240.5 Ų40.51%0.0120%0.199CC..PPolyproline II helixtrans-94123.9170.6-61.1170.8000107.5L209 R213 F216 L217 I261 L289L209-I255 HydrophobicContact CD1-CB 4.38Å; L209-I255 HydrophobicContact CD1-CG2 4.03Å; R213-I255 HydrophobicContact CG-CD1 3.75Å; R213-I255 HydrophobicContact CG-CG1 4.14Å; F216-I255 HydrophobicContact CD1-CD1 4.12Å; F216-I255 HydrophobicContact CE1-CG2 4.26Å; L217-I255 HydrophobicContact CD1-CD1 4.38Å; L217-I255 HydrophobicContact CD2-CD1 3.76Å; L217-I255 HydrophobicContact CG-CD1 3.99Å; I255-I261 HydrophobicContact CG1-CD1 4.41Å; I255-I261 HydrophobicContact CG2-CD1 3.94Å; I255-I261 HydrophobicContact CG2-CG1 4.36Å; I255-L289 HydrophobicContact CD1-CD1 3.88Å; I255-L289 HydrophobicContact CG1-CD1 3.94Å
256K92.6Very high95.5Very high115 Ų11544.2 Ų44.250%0.521%0.209SC..PPolyproline II helixtrans-72.9146.2178.2-55.3166.9-175151.40109.9D258 E259 E285K256-D258 PolarHBondContact O-N 3.17Å; K256-D258 VanDerWaalsContact O-N 3.08Å; K256-E259 HydrophobicContact CB-CB 3.99Å; K256-E259 PolarHBondContact N-OE2 3.34Å; K256-E259 WeakPolarHBondContact O-CB 3.39Å; K256-E259 PolarHBondContact O-N 3.31Å; K256-E259 VanDerWaalsContact O-N 3.14Å; K256-E285 IonicContact NZ-OE1 2.82Å
257P87.9Confident95.4Very high39 Ų3945.2 Ų45.225%0.25322%0.218SC..THydrogen-bonded Turntrans-52.9-31-176-32.738.6000116.6P204 P205P204-P257 HydrophobicContact CB-CB 3.86Å; P204-P257 WeakPolarHBondContact CB-O 3.37Å; P205-P257 HydrophobicContact CG-CB 4Å
258D91.1Very high95.3Very high94 Ų9444.5 Ų44.550%0.50322%0.221SC..THydrogen-bonded Turntrans-108.33.8-175.765.4-32.1000113.9R200 P204 K256R200-D258 PolarHBondContact NH1-O 2.78Å; P204-D258 HydrophobicContact CB-CB 4.14Å; P204-D258 HydrophobicContact CG-CB 4.47Å; K256-D258 PolarHBondContact O-N 3.17Å; K256-D258 VanDerWaalsContact O-N 3.08Å
259E94.5Very high95.2Very high16 Ų1649.8 Ų49.88%0.07524%0.242CC..  trans-71.4137.9-174.1-179.3171.1-168.200112.5R200 K256 I261 N283 R284R200-E259 VanDerWaalsContact CB-O 3.31Å; R200-E259 WeakPolarHBondContact CB-O 3.33Å; K256-E259 HydrophobicContact CB-CB 3.99Å; K256-E259 PolarHBondContact N-OE2 3.34Å; K256-E259 WeakPolarHBondContact O-CB 3.39Å; K256-E259 PolarHBondContact O-N 3.31Å; K256-E259 VanDerWaalsContact O-N 3.14Å; E259-I261 HydrophobicContact CG-CD1 4.33Å; E259-N283 WeakPolarHBondContact OE1-CB 3.4Å; E259-R284 HydrophobicContact CG-CG 4.43Å; E259-R284 PolarHBondContact OE1-N 3.14Å
260W97.3Very high95.1Very high21 Ų2150.3 Ų50.38%0.0825%0.249CC..  trans-79.7130.1168.7-70.686.7000110.8V136 E175 V177 W198 R200 R284V136-W260 HydrophobicContact CG1-CD2 4.32Å; V136-W260 HydrophobicContact CG1-CG 4.1Å; V136-W260 HydrophobicContact CG2-CD2 4.07Å; V136-W260 HydrophobicContact CG2-CE3 4.32Å; V136-W260 HydrophobicContact CG2-CH2 4.28Å; V136-W260 HydrophobicContact CG2-CZ2 4.05Å; V136-W260 HydrophobicContact CG2-CZ3 4.42Å; E175-W260 HydrophobicContact CB-CH2 4.28Å; E175-W260 VanDerWaalsContact CD-CH2 3.5Å; E175-W260 HydrophobicContact CG-CH2 3.75Å; E175-W260 HydrophobicContact CG-CZ3 4.5Å; V177-W260 HydrophobicContact CG2-CH2 3.63Å; V177-W260 HydrophobicContact CG2-CZ2 4.35Å; V177-W260 HydrophobicContact CG2-CZ3 4.09Å; W198-W260 HydrophobicContact CB-CD2 4.27Å; W198-W260 HydrophobicContact CB-CE3 3.57Å; W198-W260 HydrophobicContact CB-CZ3 4.06Å; W198-W260 HydrophobicContact CE3-CB 3.82Å; W198-W260 HydrophobicContact CZ3-CB 4.44Å; W198-W260 WeakPolarHBondContact O-CZ3 3.47Å; R200-W260 HydrophobicContact CB-CE3 4.29Å; R200-W260 HydrophobicContact CG-CD2 4Å; R200-W260 HydrophobicContact CG-CE3 3.85Å; R200-W260 HydrophobicContact CG-CH2 4.14Å; R200-W260 HydrophobicContact CG-CZ2 4.26Å; R200-W260 HydrophobicContact CG-CZ3 3.92Å; R200-W260 VanDerWaalsContact NE-CZ2 3.34Å; W260-R284 WeakPolarHBondContact O-CG 3.21Å
261I97.5Very high95Very high0 Ų048.6 Ų48.60%025%0.245CC..EExtended strand (participates in β ladder)trans-104.7133176.5-62.9-57.3000108.8W198 I199 L220 I255 E259 L263 I281 W282 N283 L289W198-I261 CarbonylContact C-O 3.6Å; W198-I261 WeakPolarHBondContact CA-O 3.5Å; I199-I261 HydrophobicContact CG2-CB 4.15Å; I199-I261 HydrophobicContact CG2-CG2 4.44Å; I199-I261 PolarHBondContact N-O 3.45Å; I199-I261 PolarHBondContact O-N 2.87Å; L220-I261 HydrophobicContact CD1-CB 4.3Å; L220-I261 HydrophobicContact CD1-CG1 4.42Å; L220-I261 HydrophobicContact CD1-CG2 4.08Å; I255-I261 HydrophobicContact CG1-CD1 4.41Å; I255-I261 HydrophobicContact CG2-CD1 3.94Å; I255-I261 HydrophobicContact CG2-CG1 4.36Å; E259-I261 HydrophobicContact CG-CD1 4.33Å; I261-L263 HydrophobicContact CG2-CD1 3.82Å; I261-I281 HydrophobicContact CG2-CG2 3.21Å; I261-W282 WeakPolarHBondContact CG2-O 3.35Å; I261-N283 HydrophobicContact CD1-CB 4.39Å; I261-L289 HydrophobicContact CD1-CD1 3.83Å
262L97.9Very high94.9Very high0 Ų050.5 Ų50.50%027%0.27CS..EExtended strand (participates in β ladder)trans-88.5123.9175.1179.661.5000109.8M130 P131 V133 H196 W198 I281 W282M130-L262 HydrophobicContact CG-CD2 3.81Å; M130-L262 HydrophobicContact SD-CD2 3.76Å; P131-L262 HydrophobicContact CG-CD2 4.15Å; V133-L262 HydrophobicContact CG2-CD1 3.83Å; V133-L262 HydrophobicContact CG2-CD2 3.79Å; V133-L262 HydrophobicContact CG2-CG 4.49Å; H196-L262 HydrophobicContact CB-CD1 4.33Å; W198-L262 HydrophobicContact CD2-CB 4.37Å; W198-L262 HydrophobicContact CD2-CD1 4.13Å; W198-L262 HydrophobicContact CE3-CB 3.87Å; W198-L262 HydrophobicContact CE3-CD1 4.48Å; W198-L262 HydrophobicContact CH2-CB 3.91Å; W198-L262 HydrophobicContact CH2-CD2 4.4Å; W198-L262 HydrophobicContact CZ2-CB 4.37Å; W198-L262 HydrophobicContact CZ2-CD1 4.2Å; W198-L262 HydrophobicContact CZ2-CD2 4.41Å; W198-L262 HydrophobicContact CZ3-CB 3.64Å; L262-I281 CarbonylContact O-C 3.53Å; L262-I281 WeakPolarHBondContact O-CA 3.5Å; L262-W282 HydrophobicContact CB-CB 4.37Å; L262-W282 HydrophobicContact CD2-CE3 4.32Å; L262-W282 HydrophobicContact CG-CE3 4.25Å; L262-W282 PolarHBondContact N-O 3.14Å; L262-W282 PolarHBondContact O-N 2.91Å
263L98Very high94.9Very high1 Ų145.1 Ų45.11%0.00525%0.249CC..EExtended strand (participates in β ladder)trans-102.7124.2165.6-85.159.1000107.9H196 S197 I199 A223 F224 I261 I281 M292H196-L263 CarbonylContact C-O 3.52Å; H196-L263 VanDerWaalsContact CA-O 3.27Å; H196-L263 WeakPolarHBondContact CA-O 3.06Å; S197-L263 PolarHBondContact N-O 3.31Å; S197-L263 PolarHBondContact O-N 3.11Å; I199-L263 HydrophobicContact CG2-CD1 3.43Å; I199-L263 VanDerWaalsContact CG2-CD1 3.43Å; I199-L263 HydrophobicContact CG2-CD2 4.41Å; A223-L263 HydrophobicContact CB-CD2 4.44Å; F224-L263 HydrophobicContact CD2-CD2 4.42Å; I261-L263 HydrophobicContact CG2-CD1 3.82Å; L263-I281 HydrophobicContact CD1-CG1 4.21Å; L263-I281 HydrophobicContact CD1-CG2 4.16Å; L263-I281 HydrophobicContact CG-CG1 4.17Å; L263-M292 HydrophobicContact CG-CE 4.5Å
264G97.7Very high95Very high7 Ų746.4 Ų46.47%0.07226%0.255CS..EExtended strand (participates in β ladder)trans-113.1130.6167.100000109G279 D280G264-G279 CarbonylContact O-C 3.5Å; G264-G279 WeakPolarHBondContact O-CA 3.26Å; G264-D280 PolarHBondContact N-O 2.71Å; G264-D280 PolarHBondContact O-N 2.82Å
265T98.1Very high95.3Very high5 Ų542 Ų423%0.03124%0.235CC..EExtended strand (participates in β ladder)trans-131.2148.5-175.661.40000110.1Q194 L195 L225 V228 Y278 M292Q194-T265 VanDerWaalsContact CA-O 3.31Å; Q194-T265 WeakPolarHBondContact CA-O 3.49Å; L195-T265 PolarHBondContact N-O 2.97Å; L195-T265 PolarHBondContact O-N 3.41Å; L195-T265 PolarHBondContact O-OG1 2.73Å; L225-T265 HydrophobicContact CD2-CG2 3.9Å; L225-T265 HydrophobicContact CG-CG2 4.47Å; V228-T265 WeakPolarHBondContact CB-OG1 3.5Å; T265-Y278 CarbonylContact C-O 3.44Å; T265-Y278 WeakPolarHBondContact CA-O 3.44Å; T265-M292 HydrophobicContact CG2-CE 4.05Å
266R97.6Very high95.4Very high102 Ų10244.2 Ų44.239%0.38525%0.246SC..EExtended strand (participates in β ladder)trans-139.2136.6174.366.7-178.5-176.382.72.5111.6G193 Q194 N268 S277 Y278G193-R266 CarbonylContact O-C 3.51Å; G193-R266 WeakPolarHBondContact O-CA 2.97Å; Q194-R266 HydrophobicContact CG-CB 4.06Å; R266-N268 PolarHBondContact NH1-OD1 2.83Å; R266-S277 CarbonylContact O-C 3.54Å; R266-S277 VanDerWaalsContact O-CA 3.3Å; R266-S277 WeakPolarHBondContact O-CA 3.5Å; R266-Y278 PolarHBondContact N-O 3.15Å; R266-Y278 VanDerWaalsContact NH1-CD2 3.34Å; R266-Y278 PolarHBondContact O-N 2.97Å
267A97.3Very high95.7Very high22 Ų2238.7 Ų38.718%0.18222%0.222CC..EExtended strand (participates in β ladder)trans-78.4136.8165.800000109.1G193 V228 T231G193-A267 PolarHBondContact O-N 3.39Å; V228-A267 HydrophobicContact CG2-CB 4.39Å; T231-A267 HydrophobicContact CG2-CB 4.2Å
268N96.8Very high96.2Very high88 Ų8840.3 Ų40.347%0.47122%0.224SC..EExtended strand (participates in β ladder)trans-115.7-27.4176.1-165.892.5000112.3R266 L276 Y278R266-N268 PolarHBondContact NH1-OD1 2.83Å; N268-L276 HydrophobicContact CB-CD2 4.49Å; N268-L276 HydrophobicContact CB-CG 4.43Å; N268-L276 PolarHBondContact N-O 3.01Å; N268-Y278 HydrophobicContact CB-CD2 3.74Å; N268-Y278 HydrophobicContact CB-CE2 3.45Å; N268-Y278 VanDerWaalsContact CB-CE2 3.45Å
269Y96Very high96.5Very high126 Ų12636 Ų3649%0.49420%0.202SC..EExtended strand (participates in β ladder)trans-151.4136.1177.1-178.9-96.4000110.1G271 T275 L276Y269-G271 VanDerWaalsContact CE1-O 3.29Å; Y269-G271 WeakPolarHBondContact CE1-O 3.26Å; Y269-T275 CarbonylContact O-C 3.54Å; Y269-T275 VanDerWaalsContact O-CA 3.28Å; Y269-T275 WeakPolarHBondContact O-CA 3.38Å; Y269-L276 PolarHBondContact N-O 3.06Å; Y269-L276 PolarHBondContact O-N 2.8Å
270V93.8Very high96.7Very high67 Ų6737.6 Ų37.641%0.40621%0.211SC..EExtended strand (participates in β ladder)trans-139.7109.9168.9-176.30000106.8A229 L274 T275A229-V270 HydrophobicContact CB-CG2 4.06Å; A229-V270 WeakPolarHBondContact O-CG2 3.4Å; V270-L274 WeakPolarHBondContact CA-O 3.38Å; V270-T275 HydrophobicContact CG1-CG2 4.43Å; V270-T275 HydrophobicContact CG2-CG2 4.49Å
271G92.7Very high96.7Very high21 Ų2136.6 Ų36.622%0.21621%0.207CC..EExtended strand (participates in β ladder)trans-178.5150.3-174.200000112.2Y269 A273 L274Y269-G271 VanDerWaalsContact CE1-O 3.29Å; Y269-G271 WeakPolarHBondContact CE1-O 3.26Å; G271-A273 PolarHBondContact O-N 3.39Å; G271-A273 VanDerWaalsContact O-N 3.09Å; G271-L274 PolarHBondContact N-O 3.08Å; G271-L274 PolarHBondContact O-N 2.92Å
272G91.7Very high96.7Very high73 Ų7337.4 Ų37.475%0.75321%0.21SC*.THydrogen-bonded Turntrans58.127.5-178.900000114L274G272-L274 PolarHBondContact O-N 2.8Å
273A93.4Very high96.6Very high20 Ų2037.8 Ų37.817%0.16521%0.212CC..THydrogen-bonded Turntrans64.96.4-17000000116.3G271 L297 V298G271-A273 PolarHBondContact O-N 3.39Å; G271-A273 VanDerWaalsContact O-N 3.09Å; A273-L297 HydrophobicContact CB-CD1 4.1Å; A273-L297 CarbonylContact O-C 3.58Å; A273-L297 WeakPolarHBondContact O-CA 3.47Å; A273-L297 WeakPolarHBondContact O-CD1 3.39Å; A273-V298 VanDerWaalsContact CA-O 3.3Å; A273-V298 WeakPolarHBondContact CA-O 3.49Å; A273-V298 WeakPolarHBondContact CB-O 3.19Å; A273-V298 PolarHBondContact O-N 3.11Å
274L96.7Very high96.4Very high62 Ų6242.3 Ų42.333%0.32523%0.229SC..EExtended strand (participates in β ladder)trans-98.7150.6173.1-63.9175.4000110.5L242 V270 G271 G272 G296 L297L242-L274 HydrophobicContact CD1-CD2 3.75Å; V270-L274 WeakPolarHBondContact CA-O 3.38Å; G271-L274 PolarHBondContact N-O 3.08Å; G271-L274 PolarHBondContact O-N 2.92Å; G272-L274 PolarHBondContact O-N 2.8Å; L274-G296 WeakPolarHBondContact CA-O 3.41Å; L274-L297 HydrophobicContact CD2-CD1 4.47Å
275T97.3Very high96.2Very high1 Ų147.7 Ų47.71%0.00625%0.252CS..EExtended strand (participates in β ladder)trans-123.6145.8171.668.60000109.5A229 Y269 V270 Q295 G296 V298A229-T275 HydrophobicContact CB-CG2 3.55Å; Y269-T275 CarbonylContact O-C 3.54Å; Y269-T275 VanDerWaalsContact O-CA 3.28Å; Y269-T275 WeakPolarHBondContact O-CA 3.38Å; V270-T275 HydrophobicContact CG1-CG2 4.43Å; V270-T275 HydrophobicContact CG2-CG2 4.49Å; T275-Q295 VanDerWaalsContact O-CA 3.27Å; T275-Q295 WeakPolarHBondContact O-CA 3.31Å; T275-Q295 VanDerWaalsContact O-CG 3.29Å; T275-Q295 WeakPolarHBondContact O-CG 3.15Å; T275-G296 PolarHBondContact N-O 2.81Å; T275-G296 PolarHBondContact O-N 2.97Å; T275-G296 WeakPolarHBondContact OG1-CA 3.37Å; T275-G296 PolarHBondContact OG1-N 2.95Å; T275-V298 HydrophobicContact CG2-CB 3.97Å; T275-V298 HydrophobicContact CG2-CG1 3.44Å; T275-V298 VanDerWaalsContact CG2-CG1 3.44Å
276L98Very high96Very high48 Ų4848.3 Ų48.325%0.25126%0.26SS..EExtended strand (participates in β ladder)trans-126.8120.2165.2179.862.9000108.1N268 Y269 Y278 Q294N268-L276 HydrophobicContact CB-CD2 4.49Å; N268-L276 HydrophobicContact CB-CG 4.43Å; N268-L276 PolarHBondContact N-O 3.01Å; Y269-L276 PolarHBondContact N-O 3.06Å; Y269-L276 PolarHBondContact O-N 2.8Å; L276-Y278 HydrophobicContact CD2-CE2 4.15Å; L276-Y278 HydrophobicContact CG-CE2 4.14Å; L276-Q294 WeakPolarHBondContact CA-O 3.44Å
277S98.4Very high95.9Very high0 Ų045.3 Ų45.30%025%0.254CS..EExtended strand (participates in β ladder)trans-122.4149.1178.1-570000110.2L225 R266 A293 Q294L225-S277 WeakPolarHBondContact O-CB 3.38Å; L225-S277 PolarHBondContact O-OG 2.8Å; R266-S277 CarbonylContact O-C 3.54Å; R266-S277 VanDerWaalsContact O-CA 3.3Å; R266-S277 WeakPolarHBondContact O-CA 3.5Å; S277-A293 WeakPolarHBondContact O-CA 3.4Å; S277-Q294 PolarHBondContact N-O 2.85Å; S277-Q294 PolarHBondContact O-N 2.97Å
278Y98.1Very high95.9Very high72 Ų7245 Ų4528%0.28225%0.249SC..EExtended strand (participates in β ladder)trans-119.9160.3168.7-59.4-84.5000109.3L225 T265 R266 N268 L276 M292 A293L225-Y278 WeakPolarHBondContact CD2-O 3.4Å; T265-Y278 CarbonylContact C-O 3.44Å; T265-Y278 WeakPolarHBondContact CA-O 3.44Å; R266-Y278 PolarHBondContact N-O 3.15Å; R266-Y278 VanDerWaalsContact NH1-CD2 3.34Å; R266-Y278 PolarHBondContact O-N 2.97Å; N268-Y278 HydrophobicContact CB-CD2 3.74Å; N268-Y278 HydrophobicContact CB-CE2 3.45Å; N268-Y278 VanDerWaalsContact CB-CE2 3.45Å; L276-Y278 HydrophobicContact CD2-CE2 4.15Å; L276-Y278 HydrophobicContact CG-CE2 4.14Å; Y278-M292 CarbonylContact C-O 3.54Å; Y278-M292 VanDerWaalsContact CA-O 3.29Å; Y278-M292 WeakPolarHBondContact CA-O 3.33Å; Y278-A293 HydrophobicContact CD1-CB 3.72Å; Y278-A293 HydrophobicContact CE1-CB 3.84Å
279G97.8Very high95.9Very high4 Ų440.8 Ų40.84%0.04123%0.227CC..EExtended strand (participates in β ladder)trans-163.6176.5167.100000112.3G264 S291 M292G264-G279 CarbonylContact O-C 3.5Å; G264-G279 WeakPolarHBondContact O-CA 3.26Å; G279-S291 CarbonylContact O-C 3.57Å; G279-M292 VanDerWaalsContact C-CG 3.4Å; G279-M292 PolarHBondContact N-O 2.74Å; G279-M292 WeakPolarHBondContact O-CG 3.47Å; G279-M292 PolarHBondContact O-N 2.76Å
280D98Very high96Very high49 Ų4934.8 Ų34.826%0.26220%0.204SC..EExtended strand (participates in β ladder)trans-145.9149.9-175.9-69.6-62.3000107.9G264 W282 L288 A290 S291G264-D280 PolarHBondContact N-O 2.71Å; G264-D280 PolarHBondContact O-N 2.82Å; D280-W282 HydrophobicContact CB-CD2 4.32Å; D280-W282 HydrophobicContact CB-CE3 4.06Å; D280-W282 HydrophobicContact CB-CH2 3.14Å; D280-W282 HydrophobicContact CB-CZ2 3.36Å; D280-W282 HydrophobicContact CB-CZ3 3.48Å; D280-W282 VanDerWaalsContact CB-CZ3 3.48Å; D280-W282 VanDerWaalsContact O-CZ3 3.29Å; D280-W282 WeakPolarHBondContact O-CZ3 3.15Å; D280-L288 HydrophobicContact CB-CD1 3.78Å; D280-A290 CarbonylContact C-O 3.51Å; D280-A290 WeakPolarHBondContact CA-O 3.48Å; D280-S291 WeakPolarHBondContact OD1-CA 3.16Å; D280-S291 WeakPolarHBondContact OD1-CB 3.27Å; D280-S291 PolarHBondContact OD1-OG 3.04Å
281I98.1Very high96.3Very high1 Ų132.9 Ų32.91%0.00519%0.193CC..EExtended strand (participates in β ladder)trans-122.3122.1-176-60174.2000108.2L217 I261 L262 L263 L289 A290 M292L217-I281 HydrophobicContact CD2-CD1 4.4Å; L217-I281 HydrophobicContact CD2-CG2 3.68Å; I261-I281 HydrophobicContact CG2-CG2 3.21Å; L262-I281 CarbonylContact O-C 3.53Å; L262-I281 WeakPolarHBondContact O-CA 3.5Å; L263-I281 HydrophobicContact CD1-CG1 4.21Å; L263-I281 HydrophobicContact CD1-CG2 4.16Å; L263-I281 HydrophobicContact CG-CG1 4.17Å; I281-L289 HydrophobicContact CG2-CB 4.4Å; I281-L289 HydrophobicContact CG2-CD1 4.39Å; I281-L289 PolarHBondContact O-N 3.49Å; I281-A290 HydrophobicContact CB-CB 4.38Å; I281-A290 HydrophobicContact CD1-CB 4.26Å; I281-A290 PolarHBondContact N-O 3.41Å; I281-A290 PolarHBondContact O-N 3.42Å; I281-M292 HydrophobicContact CD1-SD 4.22Å; I281-M292 HydrophobicContact CG1-CE 4.12Å; I281-M292 HydrophobicContact CG1-SD 4.34Å
282W97.6Very high96.5Very high17 Ų1732 Ų326%0.06418%0.183CC..EExtended strand (participates in β ladder)trans-121.8151179.5-59.8-97.4000112M130 P131 I261 L262 D280 C287 L288M130-W282 HydrophobicContact CB-CG 4.28Å; M130-W282 HydrophobicContact CG-CB 4.09Å; M130-W282 HydrophobicContact CG-CD2 4.03Å; M130-W282 HydrophobicContact CG-CG 3.79Å; M130-W282 HydrophobicContact SD-CB 3.82Å; M130-W282 HydrophobicContact SD-CG 4.18Å; P131-W282 HydrophobicContact CG-CH2 3.83Å; P131-W282 HydrophobicContact CG-CZ2 4.44Å; P131-W282 HydrophobicContact CG-CZ3 3.91Å; I261-W282 WeakPolarHBondContact CG2-O 3.35Å; L262-W282 HydrophobicContact CB-CB 4.37Å; L262-W282 HydrophobicContact CD2-CE3 4.32Å; L262-W282 HydrophobicContact CG-CE3 4.25Å; L262-W282 PolarHBondContact N-O 3.14Å; L262-W282 PolarHBondContact O-N 2.91Å; D280-W282 HydrophobicContact CB-CD2 4.32Å; D280-W282 HydrophobicContact CB-CE3 4.06Å; D280-W282 HydrophobicContact CB-CH2 3.14Å; D280-W282 HydrophobicContact CB-CZ2 3.36Å; D280-W282 HydrophobicContact CB-CZ3 3.48Å; D280-W282 VanDerWaalsContact CB-CZ3 3.48Å; D280-W282 VanDerWaalsContact O-CZ3 3.29Å; D280-W282 WeakPolarHBondContact O-CZ3 3.15Å; W282-C287 VanDerWaalsContact CA-O 3.31Å; W282-C287 WeakPolarHBondContact CA-O 3.3Å; W282-L288 HydrophobicContact CD2-CD1 4.28Å; W282-L288 HydrophobicContact CG-CD1 4.43Å; W282-L288 HydrophobicContact CZ2-CD1 4.32Å
283N95.8Very high96.8Very high7 Ų729.3 Ų29.34%0.03715%0.154CC..  trans-81.1177.6164.978.3-11000111.3E259 I261 E285 G286 C287 L289E259-N283 WeakPolarHBondContact OE1-CB 3.4Å; I261-N283 HydrophobicContact CD1-CB 4.39Å; N283-E285 VanDerWaalsContact C-N 3.26Å; N283-E285 VanDerWaalsContact CG-OE2 3.3Å; N283-E285 PolarHBondContact ND2-OE2 3.4Å; N283-E285 PolarHBondContact O-N 3.28Å; N283-E285 PolarHBondContact OD1-N 2.89Å; N283-G286 PolarHBondContact O-N 3.4Å; N283-G286 PolarHBondContact OD1-N 3.37Å; N283-G286 VanDerWaalsContact OD1-N 3.09Å; N283-C287 PolarHBondContact N-O 3.43Å; N283-C287 VanDerWaalsContact N-O 3.07Å; N283-C287 WeakPolarHBondContact OD1-CA 3.48Å; N283-C287 VanDerWaalsContact OD1-CB 3.29Å; N283-C287 WeakPolarHBondContact OD1-CB 3.36Å; N283-C287 PolarHBondContact OD1-N 2.69Å; N283-C287 PolarHBondContact OD1-O 2.92Å; N283-L289 HydrophobicContact CB-CD1 4.09Å; N283-L289 HydrophobicContact CB-CD2 4.28Å; N283-L289 HydrophobicContact CB-CG 4.38Å
284R93.3Very high97.1Very high97 Ų9728.4 Ų28.437%0.36615%0.146SC..THydrogen-bonded Turntrans-65.2-29.5-178.7-77-170168.2-136.6-3.6113.5E137 W198 E259 W260 G286E137-R284 IonicContact OE1-CZ 3.56Å; E137-R284 VanDerWaalsContact OE1-CZ 3.3Å; E137-R284 IonicContact OE1-NH1 3.63Å; E137-R284 PolarHBondContact OE1-NH1 2.9Å; E137-R284 IonicContact OE1-NH2 2.64Å; E137-R284 PolarHBondContact OE1-NH2 3.09Å; W198-R284 HydrophobicContact CZ3-CG 4.07Å; E259-R284 HydrophobicContact CG-CG 4.43Å; E259-R284 PolarHBondContact OE1-N 3.14Å; W260-R284 WeakPolarHBondContact O-CG 3.21Å; R284-G286 PolarHBondContact O-N 3.28Å
285E93.2Very high97.2Very high119 Ų11928.6 Ų28.656%0.55615%0.145SC*.THydrogen-bonded Turntrans-79-1.3179.4-63.278.5-170.200113.4K256 N283K256-E285 IonicContact NZ-OE1 2.82Å; N283-E285 VanDerWaalsContact C-N 3.26Å; N283-E285 VanDerWaalsContact CG-OE2 3.3Å; N283-E285 PolarHBondContact ND2-OE2 3.4Å; N283-E285 PolarHBondContact O-N 3.28Å; N283-E285 PolarHBondContact OD1-N 2.89Å
286G94.5Very high97.1Very high19 Ų1928.6 Ų28.620%0.19615%0.145CC..  trans8612.1178.100000114.9N283 R284N283-G286 PolarHBondContact O-N 3.4Å; N283-G286 PolarHBondContact OD1-N 3.37Å; N283-G286 VanDerWaalsContact OD1-N 3.09Å; R284-G286 PolarHBondContact O-N 3.28Å
287C95.5Very high97Very high38 Ų3827.7 Ų27.726%0.25714%0.141SC..  trans-77.3124.4172.7-54.80000110.3I253 W282 N283 L289I253-C287 HydrophobicContact CD1-CB 3.39Å; W282-C287 VanDerWaalsContact CA-O 3.31Å; W282-C287 WeakPolarHBondContact CA-O 3.3Å; N283-C287 PolarHBondContact N-O 3.43Å; N283-C287 VanDerWaalsContact N-O 3.07Å; N283-C287 WeakPolarHBondContact OD1-CA 3.48Å; N283-C287 VanDerWaalsContact OD1-CB 3.29Å; N283-C287 WeakPolarHBondContact OD1-CB 3.36Å; N283-C287 PolarHBondContact OD1-N 2.69Å; N283-C287 PolarHBondContact OD1-O 2.92Å; C287-L289 PolarHBondContact O-N 3.15Å
288L97.6Very high96.8Very high16 Ų1628.3 Ų28.38%0.08414%0.144CC..EExtended strand (participates in β ladder)trans-70.8121.7174.3179.269.2000109.9L127 H249 N250 D280 W282 A290L127-L288 HydrophobicContact CD1-CB 3.51Å; L127-L288 HydrophobicContact CD1-CD2 3.4Å; L127-L288 HydrophobicContact CD1-CG 4.07Å; L127-L288 HydrophobicContact CD2-CB 4.15Å; L127-L288 HydrophobicContact CG-CB 4.48Å; H249-L288 WeakPolarHBondContact CB-O 3.44Å; N250-L288 PolarHBondContact ND2-O 2.83Å; D280-L288 HydrophobicContact CB-CD1 3.78Å; W282-L288 HydrophobicContact CD2-CD1 4.28Å; W282-L288 HydrophobicContact CG-CD1 4.43Å; W282-L288 HydrophobicContact CZ2-CD1 4.32Å; L288-A290 WeakPolarHBondContact CD1-O 3.42Å
289L97.5Very high96.6Very high0 Ų029.4 Ų29.40%015%0.148CC..EExtended strand (participates in β ladder)trans-98.6-33.8-177.8-53.1179.6000112.1R213 L217 H249 I253 I255 I261 I281 N283 C287R213-L289 VanDerWaalsContact NH2-CD2 3.34Å; L217-L289 HydrophobicContact CD1-CB 3.89Å; L217-L289 HydrophobicContact CD2-CB 4.05Å; L217-L289 HydrophobicContact CD2-CD1 4Å; H249-L289 PolarHBondContact N-O 2.86Å; H249-L289 VanDerWaalsContact O-O 3.12Å; I253-L289 HydrophobicContact CB-CD2 4.38Å; I253-L289 HydrophobicContact CG2-CD2 3.99Å; I255-L289 HydrophobicContact CD1-CD1 3.88Å; I255-L289 HydrophobicContact CG1-CD1 3.94Å; I261-L289 HydrophobicContact CD1-CD1 3.83Å; I281-L289 HydrophobicContact CG2-CB 4.4Å; I281-L289 HydrophobicContact CG2-CD1 4.39Å; I281-L289 PolarHBondContact O-N 3.49Å; N283-L289 HydrophobicContact CB-CD1 4.09Å; N283-L289 HydrophobicContact CB-CD2 4.28Å; N283-L289 HydrophobicContact CB-CG 4.38Å; C287-L289 PolarHBondContact O-N 3.15Å
290A98.2Very high96.2Very high0 Ų032.3 Ų32.30%017%0.165CC..EExtended strand (participates in β ladder)trans-160.1154.3176.700000112L217 I246 W247 F248 D280 I281 L288L217-A290 HydrophobicContact CD1-CB 4.44Å; I246-A290 HydrophobicContact CG2-CB 3.97Å; W247-A290 CarbonylContact O-C 3.56Å; W247-A290 WeakPolarHBondContact O-CA 3.41Å; W247-A290 WeakPolarHBondContact O-CB 3.36Å; F248-A290 HydrophobicContact CD1-CB 4.24Å; D280-A290 CarbonylContact C-O 3.51Å; D280-A290 WeakPolarHBondContact CA-O 3.48Å; I281-A290 HydrophobicContact CB-CB 4.38Å; I281-A290 HydrophobicContact CD1-CB 4.26Å; I281-A290 PolarHBondContact N-O 3.41Å; I281-A290 PolarHBondContact O-N 3.42Å; L288-A290 WeakPolarHBondContact CD1-O 3.42Å
291S98.2Very high95.5Very high26 Ų2637.4 Ų37.418%0.18219%0.187CC..EExtended strand (participates in β ladder)trans-117.8150.5168.1-610000109.7I246 W247 H249 G279 D280I246-S291 CarbonylContact C-O 3.59Å; I246-S291 WeakPolarHBondContact CA-O 3.36Å; W247-S291 PolarHBondContact N-O 2.74Å; W247-S291 PolarHBondContact O-N 3.28Å; H249-S291 PolarHBondContact NE2-N 3.07Å; H249-S291 PolarHBondContact NE2-OG 3.1Å; G279-S291 CarbonylContact O-C 3.57Å; D280-S291 WeakPolarHBondContact OD1-CA 3.16Å; D280-S291 WeakPolarHBondContact OD1-CB 3.27Å; D280-S291 PolarHBondContact OD1-OG 3.04Å
292M98.2Very high94.5Very high4 Ų445.2 Ų45.22%0.0222%0.224CC..EExtended strand (participates in β ladder)trans-144148.6-171.850.2-173.3-178.500113L225 S245 I246 L263 T265 Y278 G279 I281L225-M292 HydrophobicContact CD1-CB 4.12Å; L225-M292 HydrophobicContact CD1-CE 4.33Å; L225-M292 HydrophobicContact CD1-CG 3.85Å; L225-M292 HydrophobicContact CD1-SD 3.58Å; L225-M292 VanDerWaalsContact CD1-SD 3.58Å; L225-M292 HydrophobicContact CD2-CE 4.02Å; L225-M292 HydrophobicContact CD2-CG 4.26Å; L225-M292 HydrophobicContact CD2-SD 4.27Å; L225-M292 HydrophobicContact CG-CE 4.07Å; L225-M292 HydrophobicContact CG-CG 4.46Å; L225-M292 HydrophobicContact CG-SD 3.98Å; S245-M292 VanDerWaalsContact O-CA 3.27Å; S245-M292 WeakPolarHBondContact O-CA 3.41Å; I246-M292 HydrophobicContact CG1-CB 4.42Å; L263-M292 HydrophobicContact CG-CE 4.5Å; T265-M292 HydrophobicContact CG2-CE 4.05Å; Y278-M292 CarbonylContact C-O 3.54Å; Y278-M292 VanDerWaalsContact CA-O 3.29Å; Y278-M292 WeakPolarHBondContact CA-O 3.33Å; G279-M292 VanDerWaalsContact C-CG 3.4Å; G279-M292 PolarHBondContact N-O 2.74Å; G279-M292 WeakPolarHBondContact O-CG 3.47Å; G279-M292 PolarHBondContact O-N 2.76Å; I281-M292 HydrophobicContact CD1-SD 4.22Å; I281-M292 HydrophobicContact CG1-CE 4.12Å; I281-M292 HydrophobicContact CG1-SD 4.34Å
293A98.5Very high93.2Very high15 Ų1550.9 Ų50.912%0.12425%0.254CS..EExtended strand (participates in β ladder)trans-137138.8172.500000109.4Q244 S245 W247 S277 Y278Q244-A293 WeakPolarHBondContact CA-O 3.45Å; S245-A293 PolarHBondContact N-O 2.71Å; S245-A293 PolarHBondContact O-N 2.82Å; W247-A293 HydrophobicContact CH2-CB 4.27Å; W247-A293 HydrophobicContact CZ3-CB 4.05Å; S277-A293 WeakPolarHBondContact O-CA 3.4Å; Y278-A293 HydrophobicContact CD1-CB 3.72Å; Y278-A293 HydrophobicContact CE1-CB 3.84Å
294Q98.5Very high91.8Very high1 Ų159.5 Ų59.51%0.00529%0.292CS..EExtended strand (participates in β ladder)trans-144.3133.6-175-178171.9-46.300111.9L225 T241 N243 Q244 L276 S277L225-Q294 HydrophobicContact CB-CB 4.21Å; L225-Q294 HydrophobicContact CD1-CB 3.73Å; L225-Q294 VanDerWaalsContact CD1-OE1 3.27Å; T241-Q294 HydrophobicContact CG2-CG 3.61Å; T241-Q294 PolarHBondContact OG1-NE2 3.19Å; N243-Q294 WeakPolarHBondContact O-CG 3.48Å; Q244-Q294 HydrophobicContact CB-CB 4.47Å; Q244-Q294 HydrophobicContact CB-CG 4.32Å; Q244-Q294 HydrophobicContact CG-CB 4.17Å; Q244-Q294 HydrophobicContact CG-CG 4.4Å; L276-Q294 WeakPolarHBondContact CA-O 3.44Å; S277-Q294 PolarHBondContact N-O 2.85Å; S277-Q294 PolarHBondContact O-N 2.97Å
295Q98.1Very high90Very high67 Ų6760.8 Ų60.831%0.31331%0.313SS..EExtended strand (participates in β ladder)trans-101130.2167-163.1178.338.200110.2L242 N243 T275L242-Q295 HydrophobicContact CD1-CG 4.44Å; L242-Q295 PolarHBondContact N-O 3.12Å; N243-Q295 PolarHBondContact N-O 2.98Å; N243-Q295 PolarHBondContact ND2-OE1 3.43Å; N243-Q295 PolarHBondContact O-N 3.38Å; N243-Q295 VanDerWaalsContact O-N 3.08Å; N243-Q295 WeakPolarHBondContact OD1-CB 3.48Å; T275-Q295 VanDerWaalsContact O-CA 3.27Å; T275-Q295 WeakPolarHBondContact O-CA 3.31Å; T275-Q295 VanDerWaalsContact O-CG 3.29Å; T275-Q295 WeakPolarHBondContact O-CG 3.15Å
296G96.9Very high88.1Confident0 Ų060.5 Ų60.50%032%0.319CS..EExtended strand (participates in β ladder)trans-119.8163.6176.800000112.5V240 L274 T275V240-G296 CarbonylContact O-C 3.51Å; V240-G296 WeakPolarHBondContact O-CA 3.29Å; L274-G296 WeakPolarHBondContact CA-O 3.41Å; T275-G296 PolarHBondContact N-O 2.81Å; T275-G296 PolarHBondContact O-N 2.97Å; T275-G296 WeakPolarHBondContact OG1-CA 3.37Å; T275-G296 PolarHBondContact OG1-N 2.95Å
297L95.2Very high86Confident30 Ų3063 Ų6316%0.15733%0.333CS..EExtended strand (participates in β ladder)trans-111.2122.6167.3175.371.1000108.2Y238 L239 V240 L242 A273 L274Y238-L297 HydrophobicContact CD1-CD2 3.83Å; Y238-L297 HydrophobicContact CD1-CG 4.36Å; Y238-L297 HydrophobicContact CE1-CD2 3.75Å; L239-L297 WeakPolarHBondContact CA-O 3.24Å; V240-L297 HydrophobicContact CG2-CB 3.88Å; V240-L297 HydrophobicContact CG2-CD2 4.14Å; V240-L297 HydrophobicContact CG2-CG 4.48Å; V240-L297 PolarHBondContact N-O 3.07Å; V240-L297 VanDerWaalsContact N-O 3.09Å; V240-L297 PolarHBondContact O-N 3.08Å; L242-L297 HydrophobicContact CD1-CB 4.24Å; L242-L297 HydrophobicContact CD2-CB 4.13Å; L242-L297 HydrophobicContact CG-CB 4.17Å; A273-L297 HydrophobicContact CB-CD1 4.1Å; A273-L297 CarbonylContact O-C 3.58Å; A273-L297 WeakPolarHBondContact O-CA 3.47Å; A273-L297 WeakPolarHBondContact O-CD1 3.39Å; L274-L297 HydrophobicContact CD2-CD1 4.47Å
298V94.5Very high84Confident13 Ų1366.9 Ų66.98%0.07936%0.361CS..EExtended strand (participates in β ladder)trans-121.7126.1176.165.50000110.5L230 V236 Y238 L239 A273 T275L230-V298 HydrophobicContact CD2-CG2 3.81Å; V236-V298 HydrophobicContact CG1-CG2 4.09Å; Y238-V298 CarbonylContact O-C 3.56Å; Y238-V298 WeakPolarHBondContact O-CA 3.48Å; L239-V298 HydrophobicContact CD1-CB 3.97Å; L239-V298 HydrophobicContact CD1-CG2 4.07Å; A273-V298 VanDerWaalsContact CA-O 3.3Å; A273-V298 WeakPolarHBondContact CA-O 3.49Å; A273-V298 WeakPolarHBondContact CB-O 3.19Å; A273-V298 PolarHBondContact O-N 3.11Å; T275-V298 HydrophobicContact CG2-CB 3.97Å; T275-V298 HydrophobicContact CG2-CG1 3.44Å; T275-V298 VanDerWaalsContact CG2-CG1 3.44Å
299R93.1Very high81.7Confident94 Ų9474.6 Ų74.636%0.35539%0.39SS..EExtended strand (participates in β ladder)trans-118.3119.3173-58.6-69.4-177.7-173-5.2109.8L237 Y238L237-R299 PolarHBondContact N-O 3.19Å; Y238-R299 PolarHBondContact N-O 2.99Å; Y238-R299 PolarHBondContact O-N 3.1Å
300T90.1Very high79.4Confident66 Ų6678.1 Ų78.141%0.40541%0.412SS..  trans-100.2-11173.954.90000112.7H234 H235H234-T300 HydrophobicContact CB-CG2 3.92Å; H235-T300 WeakPolarHBondContact O-CA 3.18Å; H235-T300 WeakPolarHBondContact O-CB 3.27Å
301Q83.9Confident77.2Confident156 Ų15682.4 Ų82.473%0.72944%0.441SS*.SBendtrans-119.3148.9178-61-178.28.500110.5
302Q77.1Confident74.9Confident164 Ų16488.5 Ų88.577%0.76647%0.469SS*.  trans-62.5140.6172-74.1-175.9-12.200109.5L237 K304L237-Q302 HydrophobicContact CD1-CB 4.4Å; L237-Q302 HydrophobicContact CD1-CG 3.82Å; L237-Q302 VanDerWaalsContact CD1-N 3.28Å; Q302-K304 PolarHBondContact O-N 2.83Å; Q302-K304 VanDerWaalsContact O-N 3.1Å
303L69.1Low72.6Confident136 Ų13690.6 Ų90.671%0.71249%0.492SS*.  trans-63.4113.4167.5-67.9169.1000107.2P305L303-P305 VanDerWaalsContact O-CD 3.31Å; L303-P305 WeakPolarHBondContact O-CD 3.41Å
304K66.1Low70.3Confident188 Ų18895 Ų9582%0.81751%0.51SS*.  trans-71.8116.8155.2-74.7-173.7179.2-1790105.4Q302 V306Q302-K304 PolarHBondContact O-N 2.83Å; Q302-K304 VanDerWaalsContact O-N 3.1Å; K304-V306 PolarHBondContact O-N 3.44Å
305P56.3Low68.1Low125 Ų125100.3 Ų100.381%0.81254%0.538SS*.  trans-56.3113.7170-16.429.2000106.5L303 S307L303-P305 VanDerWaalsContact O-CD 3.31Å; L303-P305 WeakPolarHBondContact O-CD 3.41Å; P305-S307 PolarHBondContact O-N 3.43Å
306V54.3Low66.2Low113 Ų11399.8 Ų99.869%0.68555%0.545SS*.  trans-77.6120.2162.5-163.30000103.5K304 S308 T310K304-V306 PolarHBondContact O-N 3.44Å; V306-S308 PolarHBondContact O-N 2.78Å; V306-T310 WeakPolarHBondContact CG1-OG1 3.36Å
307S49.3Very low64.2Low70 Ų70106.7 Ų106.749%0.4958%0.577SS.*  trans-52.1132.7169128.50000106.8P305 Y309 T310P305-S307 PolarHBondContact O-N 3.43Å; S307-Y309 PolarHBondContact O-N 3.26Å; S307-Y309 PolarHBondContact OG-N 3.36Å; S307-T310 PolarHBondContact O-N 2.68Å
308S53.3Low62.4Low121 Ų121112.1 Ų112.185%0.84660%0.602SS**THydrogen-bonded Turntrans-64.812-178.453.20000113.8V306V306-S308 PolarHBondContact O-N 2.78Å
309Y48.7Very low60.8Low178 Ų178115.5 Ų115.570%0.69863%0.631SS**THydrogen-bonded Turntrans-91.4-14.8178.6-72.9-81.3000114.7S307S307-Y309 PolarHBondContact O-N 3.26Å; S307-Y309 PolarHBondContact OG-N 3.36Å
310T50.4Low59.1Low73 Ų73119.5 Ų119.545%0.44865%0.654SS.*THydrogen-bonded Turntrans-102.140.1-169.152.20000116.2V306 S307V306-T310 WeakPolarHBondContact CG1-OG1 3.36Å; S307-T310 PolarHBondContact O-N 2.68Å
311S51.5Low57.4Low90 Ų90128.3 Ų128.363%0.62969%0.687SS**THydrogen-bonded Turntrans-144.5-2167.396.90000119.4
312M49.4Very low56Low154 Ų154127 Ų12776%0.75968%0.684SS**THydrogen-bonded Turntrans-144-34.2174-74.7-78.3-79.100113A316M312-A316 PolarHBondContact O-N 3.4Å
313G50Low54.9Low49 Ų49125 Ų12551%0.50568%0.68SS.*Hα-helixtrans-69.8-47179.100000113.5L315 A316 E317G313-L315 VanDerWaalsContact C-N 3.33Å; G313-L315 PolarHBondContact O-N 3.17Å; G313-A316 WeakPolarHBondContact O-CB 3.37Å; G313-A316 PolarHBondContact O-N 3.45Å; G313-E317 PolarHBondContact O-N 2.77Å; G313-E317 VanDerWaalsContact O-N 3.16Å
314E51Low54.2Low106 Ų106124.4 Ų124.450%0.49568%0.678SS.*Hα-helixtrans-71-27180-68.3-179.5166.200113.2A316 Q318E314-A316 VanDerWaalsContact C-N 3.33Å; E314-Q318 WeakPolarHBondContact O-CG 3.27Å; E314-Q318 PolarHBondContact O-N 3.02Å; E314-Q318 VanDerWaalsContact O-N 3.16Å
315L52.9Low53.5Low113 Ų113120.6 Ų120.659%0.59267%0.67SS**Hα-helixtrans-72.9-27.5172.6-73.6172.1000112G313 A319G313-L315 VanDerWaalsContact C-N 3.33Å; G313-L315 PolarHBondContact O-N 3.17Å; L315-A319 PolarHBondContact O-N 3.45Å
316A56.9Low53.3Low57 Ų57120.4 Ų120.447%0.47166%0.661SS.*Hα-helixtrans-74-40.3173.500000111.7M312 G313 E314 Q318 A319 E320M312-A316 PolarHBondContact O-N 3.4Å; G313-A316 WeakPolarHBondContact O-CB 3.37Å; G313-A316 PolarHBondContact O-N 3.45Å; E314-A316 VanDerWaalsContact C-N 3.33Å; A316-Q318 VanDerWaalsContact C-N 3.34Å; A316-Q318 PolarHBondContact O-N 3.46Å; A316-A319 PolarHBondContact O-N 2.61Å; A316-A319 VanDerWaalsContact O-N 3.16Å; A316-E320 PolarHBondContact O-N 2.6Å
317E55.7Low53.2Low144 Ų144120.9 Ų120.967%0.67366%0.66SS**Hα-helixtrans-70.2-27.2176.9-76.8-171.717300113.7G313 A319G313-E317 PolarHBondContact O-N 2.77Å; G313-E317 VanDerWaalsContact O-N 3.16Å; E317-A319 VanDerWaalsContact C-N 3.3Å
318Q56.9Low53.5Low145 Ų145124.5 Ų124.568%0.67867%0.672SS**Hα-helixtrans-75.6-18171.9-74.9-176.84.400113.3E314 A316E314-Q318 WeakPolarHBondContact O-CG 3.27Å; E314-Q318 PolarHBondContact O-N 3.02Å; E314-Q318 VanDerWaalsContact O-N 3.16Å; A316-Q318 VanDerWaalsContact C-N 3.34Å; A316-Q318 PolarHBondContact O-N 3.46Å
319A61Low53.5Low83 Ų83124.8 Ų124.869%0.68666%0.659SS**Hα-helixtrans-84.6-15176.200000113.3L315 A316 E317L315-A319 PolarHBondContact O-N 3.45Å; A316-A319 PolarHBondContact O-N 2.61Å; A316-A319 VanDerWaalsContact O-N 3.16Å; E317-A319 VanDerWaalsContact C-N 3.3Å
320E57.4Low53.9Low179 Ų179120.3 Ų120.384%0.83666%0.655SS**  trans-997.8177.7-70.8-168.9164.600114.3A316A316-E320 PolarHBondContact O-N 2.6Å
321K53.8Low54.2Low251 Ų251124.6 Ų124.6100%1.09167%0.674SS**  trans-112.20170.9-75.4-176.6179.6172.40111.4

Retrieved 321 of 321 residues in 836.7 ms (Link to these results)

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