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Peptidyl-prolyl cis-trans isomerase

PPIases accelerate the folding of proteins. It catalyzes the cis-trans isomerization of proline imidic peptide bonds in oligopeptides.

AlphaFold DB , UniProt , Accession G4VQK3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 300 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
1M93Very high96.5Very high64 Ų6426.5 Ų26.532%0.31513%0.125SC..  0134.70-65.5-161.3-80.600108.4I31 F32 E33 I71 D72 W85 F90M1-I31 HydrophobicContact CE-CG2 3.42Å; M1-I31 VanDerWaalsContact CE-CG2 3.42Å; M1-I31 HydrophobicContact CG-CG2 4.45Å; M1-I31 PolarHBondContact N-O 3.09Å; M1-F32 HydrophobicContact CB-CD1 3.82Å; M1-F32 HydrophobicContact CB-CE1 3.94Å; M1-F32 HydrophobicContact CE-CD1 4.27Å; M1-F32 HydrophobicContact CE-CE1 3.42Å; M1-F32 VanDerWaalsContact CE-CE1 3.42Å; M1-F32 HydrophobicContact CE-CE2 4.09Å; M1-F32 HydrophobicContact CE-CZ 3.33Å; M1-F32 WeakPolarHBondContact O-CA 3.45Å; M1-F32 HydrophobicContact SD-CE1 4.32Å; M1-E33 PolarHBondContact O-N 2.97Å; M1-I71 HydrophobicContact CB-CG2 4.47Å; M1-I71 HydrophobicContact SD-CG2 4.15Å; M1-D72 WeakPolarHBondContact CA-OD1 2.85Å; M1-D72 WeakPolarHBondContact CG-OD2 3.43Å; M1-W85 HydrophobicContact CE-CH2 3.79Å; M1-W85 HydrophobicContact CE-CZ2 4.08Å; M1-W85 HydrophobicContact SD-CH2 4.16Å; M1-W85 HydrophobicContact SD-CZ2 4.13Å; M1-F90 HydrophobicContact CE-CE2 4.25Å; M1-F90 HydrophobicContact CE-CZ 3.59Å
2I95.4Very high96.5Very high66 Ų6630.7 Ų30.734%0.33814%0.144SC..  trans-108.1118.7178.3-61.2168.2000106.9E4 E33 I71 D72I2-E4 HydrophobicContact CG2-CG 4.19Å; I2-E33 HydrophobicContact CG1-CB 4.34Å; I2-E33 HydrophobicContact CG1-CG 4.35Å; I2-I71 WeakPolarHBondContact O-CA 3.34Å; I2-D72 PolarHBondContact N-OD1 2.88Å; I2-D72 PolarHBondContact O-N 3.17Å
3I97.5Very high96.6Very high2 Ų229.7 Ų29.71%0.0114%0.143CC..EExtended strand (participates in β ladder)trans-98.9126.9173-59.5170.4000108.3I5 A21 L24 F32 P35 K36 V69 I70 I71I3-I5 HydrophobicContact CG2-CD1 3.55Å; I3-I5 HydrophobicContact CG2-CG1 4.06Å; I3-A21 HydrophobicContact CB-CB 4.37Å; I3-A21 HydrophobicContact CD1-CB 4.26Å; I3-A21 HydrophobicContact CG2-CB 3.81Å; I3-L24 HydrophobicContact CD1-CD1 3.56Å; I3-F32 HydrophobicContact CD1-CD1 3.54Å; I3-F32 HydrophobicContact CD1-CE1 3.54Å; I3-F32 HydrophobicContact CG1-CD1 3.93Å; I3-F32 HydrophobicContact CG1-CE1 4.05Å; I3-P35 HydrophobicContact CB-CB 4.46Å; I3-P35 WeakPolarHBondContact O-CA 3.16Å; I3-K36 PolarHBondContact O-N 3.05Å; I3-V69 HydrophobicContact CG2-CG1 4.26Å; I3-I70 WeakPolarHBondContact CA-O 3.44Å; I3-I71 HydrophobicContact CG1-CG1 4.3Å
4E98.2Very high96.7Very high36 Ų3627.6 Ų27.617%0.16813%0.132CC..EExtended strand (participates in β ladder)trans-114.4128171.5-47.5-177-119.500109.5I2 Y6 K36 I70I2-E4 HydrophobicContact CG2-CG 4.19Å; E4-Y6 HydrophobicContact CB-CD2 4.29Å; E4-Y6 HydrophobicContact CB-CE2 3.51Å; E4-Y6 PolarHBondContact OE2-OH 2.86Å; E4-K36 CarbonylContact C-O 3.6Å; E4-K36 WeakPolarHBondContact CA-O 3.41Å; E4-K36 HydrophobicContact CB-CB 4.38Å; E4-K36 HydrophobicContact CG-CB 4.13Å; E4-K36 HydrophobicContact CG-CD 4.28Å; E4-K36 WeakPolarHBondContact OE2-CD 3.43Å; E4-K36 IonicContact OE2-NZ 2.8Å; E4-K36 PolarHBondContact OE2-NZ 2.82Å; E4-I70 HydrophobicContact CB-CB 4.28Å; E4-I70 PolarHBondContact N-O 2.56Å; E4-I70 PolarHBondContact O-N 2.66Å
5I98.2Very high96.8Very high0 Ų025.7 Ų25.70%012%0.124CC..EExtended strand (participates in β ladder)trans-117.5118.9179.8-49.8-64000108.6I3 F14 A17 A21 K36 I37 C38 V67 V69 L82I3-I5 HydrophobicContact CG2-CD1 3.55Å; I3-I5 HydrophobicContact CG2-CG1 4.06Å; I5-F14 HydrophobicContact CG2-CD2 3.9Å; I5-F14 HydrophobicContact CG2-CE2 3.69Å; I5-A17 HydrophobicContact CD1-CB 4.17Å; I5-A17 HydrophobicContact CG2-CB 3.95Å; I5-A21 HydrophobicContact CD1-CB 4.15Å; I5-A21 HydrophobicContact CG1-CB 4.01Å; I5-K36 PolarHBondContact N-O 3.01Å; I5-I37 HydrophobicContact CB-CD1 3.81Å; I5-I37 HydrophobicContact CG1-CD1 3.71Å; I5-C38 PolarHBondContact O-N 3.38Å; I5-V67 HydrophobicContact CG2-CG2 3.66Å; I5-V69 HydrophobicContact CD1-CB 4.13Å; I5-V69 HydrophobicContact CD1-CG1 3.75Å; I5-V69 HydrophobicContact CD1-CG2 3.69Å; I5-L82 HydrophobicContact CD1-CD2 4.24Å
6Y98.2Very high96.8Very high27 Ų2726.4 Ų26.411%0.10613%0.126CC..EExtended strand (participates in β ladder)trans-116.7133.3176.2-61.1-96.2000109E4 K36 C38 M40 W45 F48 V67 L68 I70E4-Y6 HydrophobicContact CB-CD2 4.29Å; E4-Y6 HydrophobicContact CB-CE2 3.51Å; E4-Y6 PolarHBondContact OE2-OH 2.86Å; Y6-K36 PolarHBondContact OH-NZ 2.81Å; Y6-C38 WeakPolarHBondContact CA-O 3.31Å; Y6-C38 HydrophobicContact CD1-CB 3.32Å; Y6-C38 HydrophobicContact CE1-CB 3.62Å; Y6-C38 VanDerWaalsContact CE1-SG 3.53Å; Y6-C38 HydrophobicContact CG-CB 4.06Å; Y6-M40 HydrophobicContact CD1-CE 4.03Å; Y6-W45 WeakPolarHBondContact O-CZ3 3.38Å; Y6-F48 HydrophobicContact CD1-CD2 4.36Å; Y6-F48 HydrophobicContact CD1-CE1 4Å; Y6-F48 AromaticContact CD1-CE2 3.52Å; Y6-F48 HydrophobicContact CD1-CE2 3.52Å; Y6-F48 AromaticContact CD1-CZ 3.31Å; Y6-F48 HydrophobicContact CD1-CZ 3.31Å; Y6-F48 AromaticContact CD2-CZ 3.99Å; Y6-F48 HydrophobicContact CD2-CZ 3.99Å; Y6-F48 AromaticContact CE1-CE2 3.8Å; Y6-F48 HydrophobicContact CE1-CE2 3.8Å; Y6-F48 AromaticContact CE1-CZ 3.89Å; Y6-F48 HydrophobicContact CE1-CZ 3.89Å; Y6-F48 HydrophobicContact CE2-CZ 4.48Å; Y6-F48 AromaticContact CG-CE1 3.83Å; Y6-F48 HydrophobicContact CG-CE1 3.83Å; Y6-F48 HydrophobicContact CG-CE2 4.09Å; Y6-F48 AromaticContact CG-CZ 3.37Å; Y6-F48 HydrophobicContact CG-CZ 3.37Å; Y6-V67 CarbonylContact O-C 3.51Å; Y6-V67 VanDerWaalsContact O-CA 3.23Å; Y6-V67 WeakPolarHBondContact O-CA 3.35Å; Y6-V67 WeakPolarHBondContact O-CG2 3.41Å; Y6-L68 PolarHBondContact N-O 2.74Å; Y6-L68 PolarHBondContact O-N 2.92Å; Y6-I70 HydrophobicContact CD2-CD1 4.33Å; Y6-I70 HydrophobicContact CE2-CD1 4Å
7G97.6Very high96.9Very high0 Ų024.9 Ų24.90%012%0.119CC..EExtended strand (participates in β ladder)trans174.4-179.7175.400000116V9 F14 C38 M40 D66G7-V9 PolarHBondContact O-N 3.33Å; G7-F14 VanDerWaalsContact CA-CD2 3.46Å; G7-C38 PolarHBondContact N-O 2.87Å; G7-M40 PolarHBondContact O-N 3.45Å; G7-D66 CarbonylContact C-O 3.32Å; G7-D66 WeakPolarHBondContact CA-O 3.49Å
8L97.1Very high96.9Very high7 Ų726.4 Ų26.44%0.03712%0.123CC..EExtended strand (participates in β ladder)trans-69.8116.5179.2-67.6176.5000110.8H10 K11 F14 M40 E42 W45 D66L8-H10 PolarHBondContact O-N 2.9Å; L8-H10 VanDerWaalsContact O-N 3.13Å; L8-K11 HydrophobicContact CB-CB 4.07Å; L8-K11 HydrophobicContact CB-CG 3.46Å; L8-K11 VanDerWaalsContact CB-CG 3.46Å; L8-K11 HydrophobicContact CD1-CG 3.82Å; L8-K11 HydrophobicContact CG-CG 4.27Å; L8-K11 PolarHBondContact O-N 3.35Å; L8-F14 WeakPolarHBondContact O-CB 3.33Å; L8-M40 WeakPolarHBondContact CA-O 3.44Å; L8-E42 HydrophobicContact CD2-CB 4.32Å; L8-W45 HydrophobicContact CD2-CB 3.34Å; L8-W45 HydrophobicContact CD2-CG 3.61Å; L8-W45 HydrophobicContact CG-CB 4.06Å; L8-W45 HydrophobicContact CG-CD2 4.41Å; L8-W45 HydrophobicContact CG-CG 3.8Å; L8-D66 HydrophobicContact CB-CB 4.46Å; L8-D66 HydrophobicContact CD1-CB 3.91Å; L8-D66 HydrophobicContact CG-CB 4.39Å; L8-D66 PolarHBondContact N-O 3.16Å
9V96.1Very high96.9Very high0 Ų026.5 Ų26.50%012%0.124CC..THydrogen-bonded Turntrans-59-31.9-174.869.20000112.8G7 K11 Q15 E39 M40 F41 A108 Y109G7-V9 PolarHBondContact O-N 3.33Å; V9-K11 VanDerWaalsContact C-N 3.3Å; V9-K11 PolarHBondContact O-N 2.89Å; V9-Q15 PolarHBondContact O-NE2 2.65Å; V9-E39 HydrophobicContact CB-CB 4.08Å; V9-E39 HydrophobicContact CB-CG 4.39Å; V9-E39 HydrophobicContact CG2-CB 4.04Å; V9-E39 HydrophobicContact CG2-CG 4.01Å; V9-M40 PolarHBondContact N-O 2.92Å; V9-F41 HydrophobicContact CG1-CD1 4.32Å; V9-F41 HydrophobicContact CG1-CE1 4.42Å; V9-A108 HydrophobicContact CG2-CB 3.67Å; V9-Y109 HydrophobicContact CG1-CD2 3.71Å
10H94.1Very high96.9Very high20 Ų2025.3 Ų25.39%0.09312%0.119CC..THydrogen-bonded Turntrans-85.94.8-177.771.6-101.5000113.8L8 Y109 E260 V300L8-H10 PolarHBondContact O-N 2.9Å; L8-H10 VanDerWaalsContact O-N 3.13Å; H10-Y109 HydrophobicContact CB-CD2 3.7Å; H10-Y109 HydrophobicContact CB-CE2 4.34Å; H10-Y109 HydrophobicContact CB-CG 4.1Å; H10-E260 IonicContact CE1-OE1 2.72Å; H10-E260 IonicContact CE1-OE2 2.74Å; H10-E260 PolarHBondContact CE1-OE2 3.27Å; H10-E260 IonicContact ND1-OE1 3.38Å; H10-E260 IonicContact ND1-OE2 3.99Å; H10-V300 HydrophobicContact CB-CG1 3.64Å
11K96.3Very high96.9Very high70 Ų7024.1 Ų24.130%0.30411%0.114SC..  trans-102.4138-178.5-64.8-67.4-166.8-166.80112.2L8 V9 S13 F14 Q15 D66L8-K11 HydrophobicContact CB-CB 4.07Å; L8-K11 HydrophobicContact CB-CG 3.46Å; L8-K11 VanDerWaalsContact CB-CG 3.46Å; L8-K11 HydrophobicContact CD1-CG 3.82Å; L8-K11 HydrophobicContact CG-CG 4.27Å; L8-K11 PolarHBondContact O-N 3.35Å; V9-K11 VanDerWaalsContact C-N 3.3Å; V9-K11 PolarHBondContact O-N 2.89Å; K11-S13 VanDerWaalsContact C-N 3.29Å; K11-S13 PolarHBondContact O-N 2.75Å; K11-F14 HydrophobicContact CB-CB 4.48Å; K11-F14 PolarHBondContact O-N 3.39Å; K11-Q15 WeakPolarHBondContact O-CG 3.13Å; K11-Q15 PolarHBondContact O-N 3.26Å; K11-Q15 VanDerWaalsContact O-N 3.16Å; K11-D66 HydrophobicContact CB-CB 4.13Å; K11-D66 WeakPolarHBondContact CD-OD2 3.37Å; K11-D66 VanDerWaalsContact CE-OD2 3.25Å; K11-D66 WeakPolarHBondContact CE-OD2 3.42Å; K11-D66 HydrophobicContact CG-CB 3.84Å
12E96.6Very high97.1Very high76 Ų7622.2 Ų22.236%0.35511%0.107SC..Hα-helixtrans-61.2-39177.6-62.4169.5162.600111.8F14 Q15 K16 M98 S102E12-F14 VanDerWaalsContact C-N 3.32Å; E12-F14 PolarHBondContact O-N 3.04Å; E12-Q15 PolarHBondContact O-N 2.84Å; E12-K16 WeakPolarHBondContact O-CB 3.49Å; E12-K16 PolarHBondContact O-N 2.88Å; E12-M98 HydrophobicContact CB-CE 3.87Å; E12-M98 HydrophobicContact CG-CE 4.27Å; E12-M98 WeakPolarHBondContact OE2-CE 3.36Å; E12-S102 WeakPolarHBondContact OE1-CB 3.28Å; E12-S102 PolarHBondContact OE1-OG 3.26Å
13S97.4Very high97.1Very high18 Ų1821.4 Ų21.413%0.12610%0.103CC..Hα-helixtrans-56.8-45.2176.548.90000111.9K11 K16 A17 E79K11-S13 VanDerWaalsContact C-N 3.29Å; K11-S13 PolarHBondContact O-N 2.75Å; S13-K16 PolarHBondContact O-N 3.44Å; S13-A17 PolarHBondContact O-N 3.23Å; S13-E79 VanDerWaalsContact CB-CD 3.43Å; S13-E79 WeakPolarHBondContact CB-OE2 3.16Å; S13-E79 WeakPolarHBondContact O-CB 3.37Å
14F98.1Very high96.9Very high0 Ų021.3 Ų21.30%010%0.102CC..Hα-helixtrans-63.6-46.4175.4173.5-93.8000111.9I5 G7 L8 K11 E12 K16 A17 R18 I37 E39 V67I5-F14 HydrophobicContact CG2-CD2 3.9Å; I5-F14 HydrophobicContact CG2-CE2 3.69Å; G7-F14 VanDerWaalsContact CA-CD2 3.46Å; L8-F14 WeakPolarHBondContact O-CB 3.33Å; K11-F14 HydrophobicContact CB-CB 4.48Å; K11-F14 PolarHBondContact O-N 3.39Å; E12-F14 VanDerWaalsContact C-N 3.32Å; E12-F14 PolarHBondContact O-N 3.04Å; F14-K16 VanDerWaalsContact C-N 3.28Å; F14-K16 PolarHBondContact O-N 3.03Å; F14-A17 PolarHBondContact O-N 2.86Å; F14-R18 HydrophobicContact CE1-CB 4.37Å; F14-R18 HydrophobicContact CZ-CB 4.48Å; F14-R18 WeakPolarHBondContact O-CB 3.33Å; F14-R18 PolarHBondContact O-N 3.15Å; F14-I37 HydrophobicContact CE1-CG2 4.47Å; F14-I37 HydrophobicContact CE2-CG2 4.42Å; F14-I37 HydrophobicContact CZ-CG2 3.63Å; F14-E39 HydrophobicContact CE1-CB 4.48Å; F14-E39 HydrophobicContact CE1-CG 3.36Å; F14-E39 HydrophobicContact CE2-CG 4.35Å; F14-E39 HydrophobicContact CZ-CB 4.23Å; F14-E39 HydrophobicContact CZ-CG 3.24Å; F14-V67 HydrophobicContact CB-CB 4.19Å; F14-V67 HydrophobicContact CB-CG2 4.42Å; F14-V67 HydrophobicContact CD2-CB 4.45Å; F14-V67 HydrophobicContact CD2-CG2 3.99Å
15Q98Very high96.8Very high0 Ų021.8 Ų21.80%011%0.105CC..Hα-helixtrans-63.2-36.1179.5-63.1-57.8-30.300112.5V9 K11 E12 R18 L19 Y101 L104 A105V9-Q15 PolarHBondContact O-NE2 2.65Å; K11-Q15 WeakPolarHBondContact O-CG 3.13Å; K11-Q15 PolarHBondContact O-N 3.26Å; K11-Q15 VanDerWaalsContact O-N 3.16Å; E12-Q15 PolarHBondContact O-N 2.84Å; Q15-R18 VanDerWaalsContact OE1-CZ 3.3Å; Q15-L19 WeakPolarHBondContact O-CB 3.34Å; Q15-L19 WeakPolarHBondContact O-CG 3.2Å; Q15-L19 PolarHBondContact O-N 3.25Å; Q15-Y101 HydrophobicContact CB-CD1 4.05Å; Q15-L104 HydrophobicContact CB-CB 4.42Å; Q15-L104 HydrophobicContact CG-CB 4.24Å; Q15-A105 HydrophobicContact CG-CB 3.82Å
16K97.5Very high96.6Very high36 Ų3628.9 Ų28.916%0.15714%0.137CC..Hα-helixtrans-63.5-51.1174.9-167.3176-160.6-168.60111.5E12 S13 F14 R18 L19 L20 E79 E83 Y101E12-K16 WeakPolarHBondContact O-CB 3.49Å; E12-K16 PolarHBondContact O-N 2.88Å; S13-K16 PolarHBondContact O-N 3.44Å; F14-K16 VanDerWaalsContact C-N 3.28Å; F14-K16 PolarHBondContact O-N 3.03Å; K16-R18 PolarHBondContact O-N 3.09Å; K16-L19 PolarHBondContact O-N 2.82Å; K16-L20 WeakPolarHBondContact O-CB 3.32Å; K16-L20 PolarHBondContact O-N 2.57Å; K16-E79 HydrophobicContact CD-CG 4.28Å; K16-E83 WeakPolarHBondContact CE-OE1 3.4Å; K16-E83 WeakPolarHBondContact CE-OE2 3.35Å; K16-E83 IonicContact NZ-OE1 3.69Å; K16-E83 PolarHBondContact NZ-OE1 2.69Å; K16-E83 IonicContact NZ-OE2 3.39Å; K16-E83 PolarHBondContact NZ-OE2 2.91Å; K16-Y101 HydrophobicContact CB-CD1 4.15Å; K16-Y101 HydrophobicContact CB-CD2 4.5Å; K16-Y101 HydrophobicContact CB-CE1 3.97Å; K16-Y101 HydrophobicContact CB-CE2 4.33Å; K16-Y101 HydrophobicContact CB-CG 4.44Å; K16-Y101 HydrophobicContact CD-CE2 4.22Å; K16-Y101 HydrophobicContact CG-CE1 4.16Å; K16-Y101 HydrophobicContact CG-CE2 4Å
17A98Very high96.4Very high1 Ų130.7 Ų30.71%0.00815%0.154CC..Hα-helixtrans-62.9-41.4178.100000112.3I5 S13 F14 A21 V67 V69 E79 L82I5-A17 HydrophobicContact CD1-CB 4.17Å; I5-A17 HydrophobicContact CG2-CB 3.95Å; S13-A17 PolarHBondContact O-N 3.23Å; F14-A17 PolarHBondContact O-N 2.86Å; A17-A21 VanDerWaalsContact O-CB 3.3Å; A17-A21 WeakPolarHBondContact O-CB 3.47Å; A17-A21 PolarHBondContact O-N 2.86Å; A17-V67 HydrophobicContact CB-CG2 3.89Å; A17-V69 HydrophobicContact CB-CG2 4.14Å; A17-E79 HydrophobicContact CB-CB 4.04Å; A17-L82 HydrophobicContact CB-CD2 4.1Å
18R97.7Very high96.1Very high52 Ų5232.7 Ų32.720%0.19616%0.164CC..Hα-helixtrans-58.5-49.4175.6179-176.972.385.2-1.8111.7F14 Q15 K16 S22 I37F14-R18 HydrophobicContact CE1-CB 4.37Å; F14-R18 HydrophobicContact CZ-CB 4.48Å; F14-R18 WeakPolarHBondContact O-CB 3.33Å; F14-R18 PolarHBondContact O-N 3.15Å; Q15-R18 VanDerWaalsContact OE1-CZ 3.3Å; K16-R18 PolarHBondContact O-N 3.09Å; R18-S22 PolarHBondContact O-N 2.85Å; R18-S22 VanDerWaalsContact O-N 3.09Å; R18-S22 PolarHBondContact O-OG 3.41Å; R18-I37 HydrophobicContact CB-CD1 4.35Å; R18-I37 HydrophobicContact CG-CD1 3.88Å; R18-I37 HydrophobicContact CG-CG1 4.05Å; R18-I37 HydrophobicContact CG-CG2 3.89Å
19L96.9Very high95.8Very high28 Ų2838.7 Ų38.715%0.14719%0.191CC..Hα-helixtrans-68-46.3-178.8-80.6-174.9000111.3Q15 K16 A21 S22 D23 Y101 L104Q15-L19 WeakPolarHBondContact O-CB 3.34Å; Q15-L19 WeakPolarHBondContact O-CG 3.2Å; Q15-L19 PolarHBondContact O-N 3.25Å; K16-L19 PolarHBondContact O-N 2.82Å; L19-A21 VanDerWaalsContact C-N 3.3Å; L19-A21 PolarHBondContact O-N 2.83Å; L19-S22 CarbonylContact O-C 3.5Å; L19-S22 WeakPolarHBondContact O-CA 3.36Å; L19-S22 WeakPolarHBondContact O-CB 3.44Å; L19-S22 PolarHBondContact O-N 3.29Å; L19-D23 PolarHBondContact O-N 3.25Å; L19-D23 VanDerWaalsContact O-OD2 3.14Å; L19-Y101 HydrophobicContact CD1-CD1 4.36Å; L19-Y101 HydrophobicContact CD1-CE1 3.8Å; L19-L104 HydrophobicContact CD1-CD1 3.32Å; L19-L104 HydrophobicContact CG-CD1 4.25Å
20L96.5Very high95.7Very high3 Ų344.6 Ų44.62%0.01622%0.219CC..Hα-helixtrans-59.1-41.3178.4-172.159.6000112.2K16 S22 D23 L24 L82 E83 V86 V92K16-L20 WeakPolarHBondContact O-CB 3.32Å; K16-L20 PolarHBondContact O-N 2.57Å; L20-S22 VanDerWaalsContact C-N 3.31Å; L20-S22 PolarHBondContact O-N 3.31Å; L20-D23 PolarHBondContact O-N 3.03Å; L20-L24 WeakPolarHBondContact O-CG 3.43Å; L20-L24 PolarHBondContact O-N 3.41Å; L20-L82 HydrophobicContact CB-CD2 4.3Å; L20-L82 HydrophobicContact CD2-CD2 4.11Å; L20-L82 HydrophobicContact CD2-CG 3.87Å; L20-L82 HydrophobicContact CG-CD2 4.39Å; L20-L82 HydrophobicContact CG-CG 4.48Å; L20-E83 HydrophobicContact CD2-CG 3.95Å; L20-V86 HydrophobicContact CD1-CG1 4.05Å; L20-V86 HydrophobicContact CD2-CB 4.23Å; L20-V86 HydrophobicContact CD2-CG1 4.5Å; L20-V86 HydrophobicContact CD2-CG2 4.04Å; L20-V86 HydrophobicContact CG-CG1 4.45Å; L20-V86 HydrophobicContact CG-CG2 4.22Å; L20-V92 HydrophobicContact CD1-CG1 4.19Å
21A96.9Very high95.8Very high1 Ų146.7 Ų46.71%0.00823%0.23CC..Hα-helixtrans-64.3-34.917400000112.8I3 I5 A17 L19 H25 P35I3-A21 HydrophobicContact CB-CB 4.37Å; I3-A21 HydrophobicContact CD1-CB 4.26Å; I3-A21 HydrophobicContact CG2-CB 3.81Å; I5-A21 HydrophobicContact CD1-CB 4.15Å; I5-A21 HydrophobicContact CG1-CB 4.01Å; A17-A21 VanDerWaalsContact O-CB 3.3Å; A17-A21 WeakPolarHBondContact O-CB 3.47Å; A17-A21 PolarHBondContact O-N 2.86Å; L19-A21 VanDerWaalsContact C-N 3.3Å; L19-A21 PolarHBondContact O-N 2.83Å; A21-H25 PolarHBondContact O-N 3.01Å; A21-P35 HydrophobicContact CB-CB 3.89Å; A21-P35 HydrophobicContact CB-CG 4.25Å
22S96.3Very high95.7Very high24 Ų2443.4 Ų43.417%0.16822%0.216CC..Hα-helixtrans-71-42.5176.1-540000111.1R18 L19 L20 L24 H25 E26R18-S22 PolarHBondContact O-N 2.85Å; R18-S22 VanDerWaalsContact O-N 3.09Å; R18-S22 PolarHBondContact O-OG 3.41Å; L19-S22 CarbonylContact O-C 3.5Å; L19-S22 WeakPolarHBondContact O-CA 3.36Å; L19-S22 WeakPolarHBondContact O-CB 3.44Å; L19-S22 PolarHBondContact O-N 3.29Å; L20-S22 VanDerWaalsContact C-N 3.31Å; L20-S22 PolarHBondContact O-N 3.31Å; S22-L24 VanDerWaalsContact C-N 3.31Å; S22-L24 PolarHBondContact O-N 3.29Å; S22-H25 WeakPolarHBondContact O-CB 3.22Å; S22-H25 PolarHBondContact O-N 3.31Å; S22-H25 VanDerWaalsContact O-N 3.15Å; S22-E26 PolarHBondContact O-N 3.06Å
23D95Very high95.7Very high49 Ų4945.4 Ų45.426%0.26223%0.225SC..Hα-helixtrans-61.7-39.2177.3-57.6-33.7000111.3L19 L20 E26 S27 R96L19-D23 PolarHBondContact O-N 3.25Å; L19-D23 VanDerWaalsContact O-OD2 3.14Å; L20-D23 PolarHBondContact O-N 3.03Å; D23-E26 PolarHBondContact O-N 2.83Å; D23-S27 WeakPolarHBondContact O-CB 3.38Å; D23-S27 PolarHBondContact O-N 3.47Å; D23-S27 PolarHBondContact O-OG 2.93Å; D23-R96 IonicContact OD1-NH1 3.59Å; D23-R96 PolarHBondContact OD1-NH1 2.87Å; D23-R96 IonicContact OD2-CZ 3.41Å; D23-R96 IonicContact OD2-NH1 2.81Å; D23-R96 PolarHBondContact OD2-NH1 3.49Å; D23-R96 IonicContact OD2-NH2 3.6Å; D23-R96 PolarHBondContact OD2-NH2 3.09Å
24L95.2Very high95.6Very high0 Ų050.5 Ų50.50%025%0.247CC..Hα-helixtrans-62.6-42173.7-75.5174.5000112.3I3 L20 S22 E26 H28 F32 W85 V86 F90I3-L24 HydrophobicContact CD1-CD1 3.56Å; L20-L24 WeakPolarHBondContact O-CG 3.43Å; L20-L24 PolarHBondContact O-N 3.41Å; S22-L24 VanDerWaalsContact C-N 3.31Å; S22-L24 PolarHBondContact O-N 3.29Å; L24-E26 VanDerWaalsContact C-N 3.35Å; L24-H28 CarbonylContact O-C 3.6Å; L24-H28 WeakPolarHBondContact O-CA 3.38Å; L24-H28 WeakPolarHBondContact O-CB 3.2Å; L24-H28 PolarHBondContact O-N 2.83Å; L24-F32 HydrophobicContact CB-CD2 3.96Å; L24-F32 HydrophobicContact CB-CE2 4.08Å; L24-F32 HydrophobicContact CB-CG 4.2Å; L24-F32 HydrophobicContact CB-CZ 4.43Å; L24-F32 HydrophobicContact CD1-CE1 4.12Å; L24-F32 HydrophobicContact CD1-CE2 4.31Å; L24-F32 HydrophobicContact CD1-CZ 3.92Å; L24-F32 HydrophobicContact CD2-CE2 3.95Å; L24-F32 HydrophobicContact CD2-CZ 4.22Å; L24-F32 HydrophobicContact CG-CE2 4.36Å; L24-F32 HydrophobicContact CG-CZ 4.44Å; L24-W85 HydrophobicContact CD1-CZ3 4.23Å; L24-V86 HydrophobicContact CD1-CG2 3.65Å; L24-V86 HydrophobicContact CD2-CG1 3.95Å; L24-V86 HydrophobicContact CD2-CG2 4.34Å; L24-V86 HydrophobicContact CG-CG2 4.34Å; L24-F90 HydrophobicContact CD2-CD2 4.3Å; L24-F90 HydrophobicContact CD2-CG 4.29Å
25H95.4Very high95.6Very high46 Ų4650.9 Ų50.921%0.21325%0.249CC..Hα-helixtrans-63.2-43174.8174.858.1000111.5A21 S22 H29 F32 Q34A21-H25 PolarHBondContact O-N 3.01Å; S22-H25 WeakPolarHBondContact O-CB 3.22Å; S22-H25 PolarHBondContact O-N 3.31Å; S22-H25 VanDerWaalsContact O-N 3.15Å; H25-H29 WeakPolarHBondContact O-CA 3.37Å; H25-H29 WeakPolarHBondContact O-CB 3.22Å; H25-H29 PolarHBondContact O-N 3.34Å; H25-F32 PolarHBondContact ND1-O 3.23Å; H25-Q34 PolarHBondContact CD2-OE1 3.41Å; H25-Q34 VanDerWaalsContact CD2-OE1 3.23Å; H25-Q34 PolarHBondContact ND1-N 3.33Å; H25-Q34 PolarHBondContact NE2-OE1 2.9Å
26E94.2Very high95.5Very high148 Ų14855.7 Ų55.769%0.69227%0.27SS*.Hα-helixtrans-67.5-41.3179.6-70.4-177.8-175.100112.7S22 D23 L24S22-E26 PolarHBondContact O-N 3.06Å; D23-E26 PolarHBondContact O-N 2.83Å; L24-E26 VanDerWaalsContact C-N 3.35Å
27S92.9Very high95.5Very high65 Ų6556.5 Ų56.546%0.45528%0.276SS..Hα-helixtrans-84-28.3-176.555.10000114.3D23D23-S27 WeakPolarHBondContact O-CB 3.38Å; D23-S27 PolarHBondContact O-N 3.47Å; D23-S27 PolarHBondContact O-OG 2.93Å
28H92.5Very high95.5Very high43 Ų4358 Ų5820%0.19929%0.285CS..  trans-134.644.3-174-61.1-75.1000111.2L24 E30 I31 F32L24-H28 CarbonylContact O-C 3.6Å; L24-H28 WeakPolarHBondContact O-CA 3.38Å; L24-H28 WeakPolarHBondContact O-CB 3.2Å; L24-H28 PolarHBondContact O-N 2.83Å; H28-E30 VanDerWaalsContact C-OE2 3.29Å; H28-E30 PolarHBondContact O-N 3.32Å; H28-I31 HydrophobicContact CB-CB 4.28Å; H28-I31 HydrophobicContact CB-CD1 4.34Å; H28-I31 HydrophobicContact CB-CG1 4.43Å; H28-I31 CarbonylContact O-C 3.42Å; H28-I31 WeakPolarHBondContact O-CA 3.46Å; H28-I31 PolarHBondContact O-N 3.42Å; H28-F32 HydrophobicContact CB-CD2 3.7Å; H28-F32 HydrophobicContact CB-CE2 4.05Å; H28-F32 PolarHBondContact O-N 3.21Å
29H91Very high95.4Very high133 Ų13358.4 Ų58.462%0.61629%0.289SS*.THydrogen-bonded Turntrans-55.3-22.9-178.365.6-75.4000114.5H25 I31H25-H29 WeakPolarHBondContact O-CA 3.37Å; H25-H29 WeakPolarHBondContact O-CB 3.22Å; H25-H29 PolarHBondContact O-N 3.34Å; H29-I31 VanDerWaalsContact C-N 3.3Å
30E94.2Very high95.4Very high124 Ų12458.3 Ų58.358%0.57929%0.289SS*.THydrogen-bonded Turntrans-74-21.2173.772.1-72.3175.700113.3H28H28-E30 VanDerWaalsContact C-OE2 3.29Å; H28-E30 PolarHBondContact O-N 3.32Å
31I94.4Very high95.3Very high63 Ų6358.3 Ų58.332%0.32329%0.289SS..THydrogen-bonded Turntrans-102.6-41.4178.5-54.2-178.4000110.4M1 H28 H29 F90M1-I31 HydrophobicContact CE-CG2 3.42Å; M1-I31 VanDerWaalsContact CE-CG2 3.42Å; M1-I31 HydrophobicContact CG-CG2 4.45Å; M1-I31 PolarHBondContact N-O 3.09Å; H28-I31 HydrophobicContact CB-CB 4.28Å; H28-I31 HydrophobicContact CB-CD1 4.34Å; H28-I31 HydrophobicContact CB-CG1 4.43Å; H28-I31 CarbonylContact O-C 3.42Å; H28-I31 WeakPolarHBondContact O-CA 3.46Å; H28-I31 PolarHBondContact O-N 3.42Å; H29-I31 VanDerWaalsContact C-N 3.3Å; I31-F90 HydrophobicContact CD1-CE1 3.9Å; I31-F90 HydrophobicContact CG2-CE1 4.42Å
32F95Very high95.2Very high2 Ų259.9 Ų59.91%0.00930%0.296CS..  trans-111.7126.9-172.5-64.6-82.5000112.5M1 I3 L24 H25 H28 W85 F90M1-F32 HydrophobicContact CB-CD1 3.82Å; M1-F32 HydrophobicContact CB-CE1 3.94Å; M1-F32 HydrophobicContact CE-CD1 4.27Å; M1-F32 HydrophobicContact CE-CE1 3.42Å; M1-F32 VanDerWaalsContact CE-CE1 3.42Å; M1-F32 HydrophobicContact CE-CE2 4.09Å; M1-F32 HydrophobicContact CE-CZ 3.33Å; M1-F32 WeakPolarHBondContact O-CA 3.45Å; M1-F32 HydrophobicContact SD-CE1 4.32Å; I3-F32 HydrophobicContact CD1-CD1 3.54Å; I3-F32 HydrophobicContact CD1-CE1 3.54Å; I3-F32 HydrophobicContact CG1-CD1 3.93Å; I3-F32 HydrophobicContact CG1-CE1 4.05Å; L24-F32 HydrophobicContact CB-CD2 3.96Å; L24-F32 HydrophobicContact CB-CE2 4.08Å; L24-F32 HydrophobicContact CB-CG 4.2Å; L24-F32 HydrophobicContact CB-CZ 4.43Å; L24-F32 HydrophobicContact CD1-CE1 4.12Å; L24-F32 HydrophobicContact CD1-CE2 4.31Å; L24-F32 HydrophobicContact CD1-CZ 3.92Å; L24-F32 HydrophobicContact CD2-CE2 3.95Å; L24-F32 HydrophobicContact CD2-CZ 4.22Å; L24-F32 HydrophobicContact CG-CE2 4.36Å; L24-F32 HydrophobicContact CG-CZ 4.44Å; H25-F32 PolarHBondContact ND1-O 3.23Å; H28-F32 HydrophobicContact CB-CD2 3.7Å; H28-F32 HydrophobicContact CB-CE2 4.05Å; H28-F32 PolarHBondContact O-N 3.21Å; F32-W85 AromaticContact CE1-CH2 3.73Å; F32-W85 HydrophobicContact CE1-CH2 3.73Å; F32-W85 HydrophobicContact CE1-CZ3 4.1Å; F32-W85 AromaticContact CZ-CH2 3.67Å; F32-W85 HydrophobicContact CZ-CH2 3.67Å; F32-W85 AromaticContact CZ-CZ3 3.99Å; F32-W85 HydrophobicContact CZ-CZ3 3.99Å; F32-F90 HydrophobicContact CE2-CD1 4.29Å; F32-F90 AromaticContact CE2-CE1 3.77Å; F32-F90 HydrophobicContact CE2-CE1 3.77Å; F32-F90 HydrophobicContact CE2-CE2 4.08Å; F32-F90 AromaticContact CE2-CZ 3.68Å; F32-F90 HydrophobicContact CE2-CZ 3.68Å; F32-F90 HydrophobicContact CZ-CD2 4.29Å; F32-F90 HydrophobicContact CZ-CE1 4.07Å; F32-F90 AromaticContact CZ-CE2 3.59Å; F32-F90 HydrophobicContact CZ-CE2 3.59Å; F32-F90 AromaticContact CZ-CZ 3.47Å; F32-F90 HydrophobicContact CZ-CZ 3.47Å; F32-F90 VanDerWaalsContact CZ-CZ 3.47Å
33E95.9Very high95Very high117 Ų11759.6 Ų59.655%0.54729%0.291SS..PPolyproline II helixtrans-71.4166.4165.6-65.6-177.9-151.700110.6M1 I2M1-E33 PolarHBondContact O-N 2.97Å; I2-E33 HydrophobicContact CG1-CB 4.34Å; I2-E33 HydrophobicContact CG1-CG 4.35Å
34Q96Very high94.9Very high125 Ų12561.5 Ų61.558%0.58430%0.299SS*.PPolyproline II helixtrans-54.6124173.217866.947.600109.3H25H25-Q34 PolarHBondContact CD2-OE1 3.41Å; H25-Q34 VanDerWaalsContact CD2-OE1 3.23Å; H25-Q34 PolarHBondContact ND1-N 3.33Å; H25-Q34 PolarHBondContact NE2-OE1 2.9Å
35P97.2Very high94.9Very high8 Ų862.4 Ų62.45%0.05230%0.302CS..PPolyproline II helixtrans-65.3142.7-177.126.4-37.9000111.5I3 A21 I37I3-P35 HydrophobicContact CB-CB 4.46Å; I3-P35 WeakPolarHBondContact O-CA 3.16Å; A21-P35 HydrophobicContact CB-CB 3.89Å; A21-P35 HydrophobicContact CB-CG 4.25Å; P35-I37 HydrophobicContact CB-CD1 3.97Å; P35-I37 HydrophobicContact CG-CD1 4.31Å
36K97.8Very high94.7Very high101 Ų10162.1 Ų62.144%0.43931%0.308SS..EExtended strand (participates in β ladder)trans-88.4112.2173.2-180177.1160.8-155.20109.3I3 E4 I5 Y6I3-K36 PolarHBondContact O-N 3.05Å; E4-K36 CarbonylContact C-O 3.6Å; E4-K36 WeakPolarHBondContact CA-O 3.41Å; E4-K36 HydrophobicContact CB-CB 4.38Å; E4-K36 HydrophobicContact CG-CB 4.13Å; E4-K36 HydrophobicContact CG-CD 4.28Å; E4-K36 WeakPolarHBondContact OE2-CD 3.43Å; E4-K36 IonicContact OE2-NZ 2.8Å; E4-K36 PolarHBondContact OE2-NZ 2.82Å; I5-K36 PolarHBondContact N-O 3.01Å; Y6-K36 PolarHBondContact OH-NZ 2.81Å
37I97.4Very high94.4Very high54 Ų5457.5 Ų57.528%0.27729%0.288SS..EExtended strand (participates in β ladder)trans-104.8120.9-177-53.5-55.3000109.5I5 F14 R18 P35 E39I5-I37 HydrophobicContact CB-CD1 3.81Å; I5-I37 HydrophobicContact CG1-CD1 3.71Å; F14-I37 HydrophobicContact CE1-CG2 4.47Å; F14-I37 HydrophobicContact CE2-CG2 4.42Å; F14-I37 HydrophobicContact CZ-CG2 3.63Å; R18-I37 HydrophobicContact CB-CD1 4.35Å; R18-I37 HydrophobicContact CG-CD1 3.88Å; R18-I37 HydrophobicContact CG-CG1 4.05Å; R18-I37 HydrophobicContact CG-CG2 3.89Å; P35-I37 HydrophobicContact CB-CD1 3.97Å; P35-I37 HydrophobicContact CG-CD1 4.31Å; I37-E39 HydrophobicContact CG2-CG 4.08Å
38C97.1Very high94.5Very high31 Ų3156.5 Ų56.521%0.20928%0.275CS..EExtended strand (participates in β ladder)trans-120.185.8179.7-67.90000110I5 Y6 G7 M40I5-C38 PolarHBondContact O-N 3.38Å; Y6-C38 WeakPolarHBondContact CA-O 3.31Å; Y6-C38 HydrophobicContact CD1-CB 3.32Å; Y6-C38 HydrophobicContact CE1-CB 3.62Å; Y6-C38 VanDerWaalsContact CE1-SG 3.53Å; Y6-C38 HydrophobicContact CG-CB 4.06Å; G7-C38 PolarHBondContact N-O 2.87Å; C38-M40 HydrophobicContact CB-CE 4.33Å
39E95.9Very high94.5Very high61 Ų6155.2 Ų55.229%0.28527%0.27SS..EExtended strand (participates in β ladder)trans-71.3140.8174.1-71.3173.2164.500110.9V9 F14 I37 R112V9-E39 HydrophobicContact CB-CB 4.08Å; V9-E39 HydrophobicContact CB-CG 4.39Å; V9-E39 HydrophobicContact CG2-CB 4.04Å; V9-E39 HydrophobicContact CG2-CG 4.01Å; F14-E39 HydrophobicContact CE1-CB 4.48Å; F14-E39 HydrophobicContact CE1-CG 3.36Å; F14-E39 HydrophobicContact CE2-CG 4.35Å; F14-E39 HydrophobicContact CZ-CB 4.23Å; F14-E39 HydrophobicContact CZ-CG 3.24Å; I37-E39 HydrophobicContact CG2-CG 4.08Å; E39-R112 VanDerWaalsContact CB-NH1 3.28Å; E39-R112 VanDerWaalsContact O-CZ 3.27Å; E39-R112 PolarHBondContact O-NH1 3.44Å; E39-R112 PolarHBondContact O-NH2 3.43Å; E39-R112 VanDerWaalsContact O-NH2 3.07Å
40M96Very high94.4Very high27 Ų2754.9 Ų54.913%0.13327%0.266CS..EExtended strand (participates in β ladder)trans-140.3148-179-66.9178.9-172.900111.6Y6 G7 L8 V9 C38 E44 W45 F48Y6-M40 HydrophobicContact CD1-CE 4.03Å; G7-M40 PolarHBondContact O-N 3.45Å; L8-M40 WeakPolarHBondContact CA-O 3.44Å; V9-M40 PolarHBondContact N-O 2.92Å; C38-M40 HydrophobicContact CB-CE 4.33Å; M40-E44 HydrophobicContact CB-CB 3.9Å; M40-E44 HydrophobicContact CG-CB 4.15Å; M40-W45 HydrophobicContact CB-CB 4.15Å; M40-W45 HydrophobicContact SD-CE3 4.17Å; M40-F48 HydrophobicContact CE-CB 3.96Å; M40-F48 HydrophobicContact CE-CD1 4.27Å; M40-F48 HydrophobicContact CE-CD2 3.75Å; M40-F48 HydrophobicContact CE-CE2 4.32Å; M40-F48 HydrophobicContact CE-CG 3.72Å; M40-F48 HydrophobicContact SD-CB 3.58Å; M40-F48 VanDerWaalsContact SD-CB 3.58Å; M40-F48 HydrophobicContact SD-CD1 4.12Å; M40-F48 HydrophobicContact SD-CD2 4.43Å; M40-F48 HydrophobicContact SD-CG 3.79Å
41F95.1Very high94.3Very high3 Ų352.3 Ų52.31%0.01326%0.26CS..  trans-75.1169.8159.4-67-60.3000110.8V9 F43 E44 W45 Y109 R112 L113 L116 I259V9-F41 HydrophobicContact CG1-CD1 4.32Å; V9-F41 HydrophobicContact CG1-CE1 4.42Å; F41-F43 PolarHBondContact O-N 2.98Å; F41-E44 WeakPolarHBondContact CD2-OE2 3.34Å; F41-E44 PolarHBondContact N-OE2 2.9Å; F41-E44 PolarHBondContact O-N 2.98Å; F41-W45 WeakPolarHBondContact O-CB 3.45Å; F41-W45 PolarHBondContact O-N 3.41Å; F41-Y109 AromaticContact CD1-CD2 3.99Å; F41-Y109 HydrophobicContact CD1-CD2 3.99Å; F41-Y109 AromaticContact CD1-CE2 3.52Å; F41-Y109 HydrophobicContact CD1-CE2 3.52Å; F41-Y109 AromaticContact CE1-CD2 3.67Å; F41-Y109 HydrophobicContact CE1-CD2 3.67Å; F41-Y109 AromaticContact CE1-CE2 3.38Å; F41-Y109 HydrophobicContact CE1-CE2 3.38Å; F41-R112 HydrophobicContact CE1-CG 4.28Å; F41-R112 HydrophobicContact CE2-CG 3.83Å; F41-R112 HydrophobicContact CZ-CB 4.05Å; F41-R112 HydrophobicContact CZ-CG 3.54Å; F41-L113 HydrophobicContact CE1-CD2 3.97Å; F41-L113 HydrophobicContact CE1-CG 4.26Å; F41-L113 HydrophobicContact CZ-CD2 3.68Å; F41-L113 HydrophobicContact CZ-CG 4.13Å; F41-L116 HydrophobicContact CE2-CD1 3.69Å; F41-L116 HydrophobicContact CZ-CD1 4.19Å; F41-I259 HydrophobicContact CB-CB 4.29Å; F41-I259 HydrophobicContact CD2-CB 4.43Å; F41-I259 HydrophobicContact CG-CB 4.33Å; F41-I259 HydrophobicContact CZ-CD1 4.47Å
42E95Very high94.2Very high34 Ų3450.1 Ų50.116%0.15925%0.249CC..Hα-helixtrans-54.6-47.1-175.5-174.8-175.2-170.500114L8 W45 A46 I259 E260 G261 S262L8-E42 HydrophobicContact CD2-CB 4.32Å; E42-W45 PolarHBondContact O-N 2.84Å; E42-A46 WeakPolarHBondContact O-CB 3.4Å; E42-A46 PolarHBondContact O-N 3.2Å; E42-I259 PolarHBondContact N-O 2.66Å; E42-E260 VanDerWaalsContact CB-OE2 3.24Å; E42-E260 WeakPolarHBondContact CB-OE2 3.35Å; E42-E260 PolarHBondContact N-OE1 3.29Å; E42-E260 WeakPolarHBondContact OE2-CA 3.35Å; E42-G261 PolarHBondContact OE2-N 2.98Å; E42-S262 VanDerWaalsContact CD-OG 3.3Å; E42-S262 WeakPolarHBondContact OE1-CB 3.3Å; E42-S262 PolarHBondContact OE1-N 3.09Å; E42-S262 PolarHBondContact OE1-OG 3.33Å; E42-S262 PolarHBondContact OE2-N 3.49Å
43F92.8Very high94.1Very high17 Ų1752.4 Ų52.48%0.07526%0.259CS..Hα-helixtrans-70.5-36.9-179-86.8-109.6000113F41 W45 A46 D47 R221 V258 I259 L265F41-F43 PolarHBondContact O-N 2.98Å; F43-W45 VanDerWaalsContact C-N 3.33Å; F43-A46 PolarHBondContact O-N 3.3Å; F43-D47 PolarHBondContact O-N 3.37Å; F43-D47 VanDerWaalsContact O-N 3.09Å; F43-R221 HydrophobicContact CE1-CG 4.18Å; F43-V258 HydrophobicContact CD2-CB 4.37Å; F43-V258 HydrophobicContact CD2-CG1 4.03Å; F43-V258 HydrophobicContact CE1-CB 4.11Å; F43-V258 HydrophobicContact CE1-CG1 4.35Å; F43-V258 HydrophobicContact CE2-CB 3.96Å; F43-V258 HydrophobicContact CE2-CG1 3.37Å; F43-V258 WeakPolarHBondContact CG-O 3.5Å; F43-V258 HydrophobicContact CZ-CB 3.82Å; F43-V258 HydrophobicContact CZ-CG1 3.57Å; F43-I259 PolarHBondContact N-O 3.04Å; F43-L265 HydrophobicContact CE1-CD2 3.97Å; F43-L265 HydrophobicContact CZ-CB 4.48Å; F43-L265 HydrophobicContact CZ-CD2 3.81Å
44E92.7Very high93.8Very high90 Ų9053.2 Ų53.242%0.42126%0.261SS..Hα-helixtrans-63.9-42.1174.7-64.2174.7124.300110.8M40 F41 D47 F48 R112M40-E44 HydrophobicContact CB-CB 3.9Å; M40-E44 HydrophobicContact CG-CB 4.15Å; F41-E44 WeakPolarHBondContact CD2-OE2 3.34Å; F41-E44 PolarHBondContact N-OE2 2.9Å; F41-E44 PolarHBondContact O-N 2.98Å; E44-D47 PolarHBondContact O-N 3.39Å; E44-F48 VanDerWaalsContact O-CB 3.27Å; E44-F48 WeakPolarHBondContact O-CB 3.41Å; E44-F48 PolarHBondContact O-N 3.35Å; E44-R112 IonicContact OE1-NH2 3.19Å; E44-R112 PolarHBondContact OE1-NH2 2.96Å; E44-R112 IonicContact OE2-CZ 2.87Å; E44-R112 IonicContact OE2-NE 2.65Å; E44-R112 IonicContact OE2-NH2 2.57Å; E44-R112 PolarHBondContact OE2-NH2 2.83Å
45W94.8Very high93.6Very high19 Ų1955.1 Ų55.17%0.07227%0.267CS..Hα-helixtrans-63.4-44.4174.7173.1-112.4000111.9Y6 L8 M40 F41 E42 F43 D47 F48 I49 H65 L68Y6-W45 WeakPolarHBondContact O-CZ3 3.38Å; L8-W45 HydrophobicContact CD2-CB 3.34Å; L8-W45 HydrophobicContact CD2-CG 3.61Å; L8-W45 HydrophobicContact CG-CB 4.06Å; L8-W45 HydrophobicContact CG-CD2 4.41Å; L8-W45 HydrophobicContact CG-CG 3.8Å; M40-W45 HydrophobicContact CB-CB 4.15Å; M40-W45 HydrophobicContact SD-CE3 4.17Å; F41-W45 WeakPolarHBondContact O-CB 3.45Å; F41-W45 PolarHBondContact O-N 3.41Å; E42-W45 PolarHBondContact O-N 2.84Å; F43-W45 VanDerWaalsContact C-N 3.33Å; W45-D47 VanDerWaalsContact C-N 3.33Å; W45-D47 PolarHBondContact O-N 2.98Å; W45-F48 AromaticContact CE3-CD1 3.74Å; W45-F48 HydrophobicContact CE3-CD1 3.74Å; W45-F48 HydrophobicContact CE3-CE1 4.34Å; W45-F48 HydrophobicContact CH2-CD1 4.43Å; W45-F48 HydrophobicContact CH2-CE1 4.41Å; W45-F48 AromaticContact CZ3-CD1 3.56Å; W45-F48 HydrophobicContact CZ3-CD1 3.56Å; W45-F48 AromaticContact CZ3-CE1 3.71Å; W45-F48 HydrophobicContact CZ3-CE1 3.71Å; W45-F48 PolarHBondContact O-N 2.9Å; W45-I49 HydrophobicContact CD2-CB 4.34Å; W45-I49 HydrophobicContact CH2-CB 4.39Å; W45-I49 HydrophobicContact CH2-CD1 3.66Å; W45-I49 HydrophobicContact CH2-CG1 4.16Å; W45-I49 HydrophobicContact CZ2-CB 4.01Å; W45-I49 HydrophobicContact CZ2-CD1 3.75Å; W45-I49 HydrophobicContact CZ2-CG1 3.76Å; W45-I49 HydrophobicContact CZ3-CD1 4.39Å; W45-I49 WeakPolarHBondContact O-CB 3.42Å; W45-I49 VanDerWaalsContact O-CG2 3.28Å; W45-I49 WeakPolarHBondContact O-CG2 3.43Å; W45-I49 PolarHBondContact O-N 3.3Å; W45-H65 WeakPolarHBondContact CZ2-O 3.46Å; W45-L68 HydrophobicContact CH2-CB 3.95Å
46A91Very high93.3Very high39 Ų3957.6 Ų57.632%0.32228%0.28SS..Hα-helixtrans-58.5-44.917900000111.7E42 F43 K50E42-A46 WeakPolarHBondContact O-CB 3.4Å; E42-A46 PolarHBondContact O-N 3.2Å; F43-A46 PolarHBondContact O-N 3.3Å; A46-K50 WeakPolarHBondContact O-CB 3.5Å; A46-K50 PolarHBondContact O-N 3Å; A46-K50 VanDerWaalsContact O-N 3.11Å
47D88.6Confident92.9Very high52 Ų5253.5 Ų53.528%0.27827%0.266SS..Hα-helixtrans-68.7-43.7177.2-77.7-22.1000112.3F43 E44 W45 T51 R220F43-D47 PolarHBondContact O-N 3.37Å; F43-D47 VanDerWaalsContact O-N 3.09Å; E44-D47 PolarHBondContact O-N 3.39Å; W45-D47 VanDerWaalsContact C-N 3.33Å; W45-D47 PolarHBondContact O-N 2.98Å; D47-T51 PolarHBondContact O-N 2.96Å; D47-T51 PolarHBondContact O-OG1 3.34Å; D47-R220 WeakPolarHBondContact OD2-CD 3.45Å
48F93.3Very high92.5Very high43 Ų4353.9 Ų53.919%0.18928%0.283CS..Hα-helixtrans-58.5-55.7176.1170.5-99.2000110.9Y6 M40 E44 W45 K50 T51 T52 L68Y6-F48 HydrophobicContact CD1-CD2 4.36Å; Y6-F48 HydrophobicContact CD1-CE1 4Å; Y6-F48 AromaticContact CD1-CE2 3.52Å; Y6-F48 HydrophobicContact CD1-CE2 3.52Å; Y6-F48 AromaticContact CD1-CZ 3.31Å; Y6-F48 HydrophobicContact CD1-CZ 3.31Å; Y6-F48 AromaticContact CD2-CZ 3.99Å; Y6-F48 HydrophobicContact CD2-CZ 3.99Å; Y6-F48 AromaticContact CE1-CE2 3.8Å; Y6-F48 HydrophobicContact CE1-CE2 3.8Å; Y6-F48 AromaticContact CE1-CZ 3.89Å; Y6-F48 HydrophobicContact CE1-CZ 3.89Å; Y6-F48 HydrophobicContact CE2-CZ 4.48Å; Y6-F48 AromaticContact CG-CE1 3.83Å; Y6-F48 HydrophobicContact CG-CE1 3.83Å; Y6-F48 HydrophobicContact CG-CE2 4.09Å; Y6-F48 AromaticContact CG-CZ 3.37Å; Y6-F48 HydrophobicContact CG-CZ 3.37Å; M40-F48 HydrophobicContact CE-CB 3.96Å; M40-F48 HydrophobicContact CE-CD1 4.27Å; M40-F48 HydrophobicContact CE-CD2 3.75Å; M40-F48 HydrophobicContact CE-CE2 4.32Å; M40-F48 HydrophobicContact CE-CG 3.72Å; M40-F48 HydrophobicContact SD-CB 3.58Å; M40-F48 VanDerWaalsContact SD-CB 3.58Å; M40-F48 HydrophobicContact SD-CD1 4.12Å; M40-F48 HydrophobicContact SD-CD2 4.43Å; M40-F48 HydrophobicContact SD-CG 3.79Å; E44-F48 VanDerWaalsContact O-CB 3.27Å; E44-F48 WeakPolarHBondContact O-CB 3.41Å; E44-F48 PolarHBondContact O-N 3.35Å; W45-F48 AromaticContact CE3-CD1 3.74Å; W45-F48 HydrophobicContact CE3-CD1 3.74Å; W45-F48 HydrophobicContact CE3-CE1 4.34Å; W45-F48 HydrophobicContact CH2-CD1 4.43Å; W45-F48 HydrophobicContact CH2-CE1 4.41Å; W45-F48 AromaticContact CZ3-CD1 3.56Å; W45-F48 HydrophobicContact CZ3-CD1 3.56Å; W45-F48 AromaticContact CZ3-CE1 3.71Å; W45-F48 HydrophobicContact CZ3-CE1 3.71Å; W45-F48 PolarHBondContact O-N 2.9Å; F48-K50 VanDerWaalsContact C-N 3.34Å; F48-K50 PolarHBondContact O-N 3.49Å; F48-T51 PolarHBondContact O-N 3.13Å; F48-T51 VanDerWaalsContact O-N 3.13Å; F48-T52 WeakPolarHBondContact CE2-OG1 3.46Å; F48-T52 HydrophobicContact CZ-CG2 4.34Å; F48-T52 WeakPolarHBondContact CZ-OG1 3.42Å; F48-T52 WeakPolarHBondContact O-CB 3.12Å; F48-T52 PolarHBondContact O-N 3.25Å; F48-T52 PolarHBondContact O-OG1 3.37Å; F48-L68 HydrophobicContact CE1-CD2 4.36Å
49I93.9Very high92Very high17 Ų1756.4 Ų56.49%0.08731%0.306CS..Hα-helixtrans-68.1-36.1-172.3-158.758.5000111.2W45 T51 T52 K53 Y63 L68W45-I49 HydrophobicContact CD2-CB 4.34Å; W45-I49 HydrophobicContact CH2-CB 4.39Å; W45-I49 HydrophobicContact CH2-CD1 3.66Å; W45-I49 HydrophobicContact CH2-CG1 4.16Å; W45-I49 HydrophobicContact CZ2-CB 4.01Å; W45-I49 HydrophobicContact CZ2-CD1 3.75Å; W45-I49 HydrophobicContact CZ2-CG1 3.76Å; W45-I49 HydrophobicContact CZ3-CD1 4.39Å; W45-I49 WeakPolarHBondContact O-CB 3.42Å; W45-I49 VanDerWaalsContact O-CG2 3.28Å; W45-I49 WeakPolarHBondContact O-CG2 3.43Å; W45-I49 PolarHBondContact O-N 3.3Å; I49-T51 VanDerWaalsContact C-N 3.28Å; I49-T51 PolarHBondContact O-N 3.01Å; I49-T52 PolarHBondContact O-N 3.49Å; I49-K53 HydrophobicContact CG1-CD 4.4Å; I49-K53 HydrophobicContact CG1-CG 4.3Å; I49-K53 WeakPolarHBondContact O-CB 3.4Å; I49-K53 WeakPolarHBondContact O-CG 3.39Å; I49-K53 PolarHBondContact O-N 3.19Å; I49-Y63 HydrophobicContact CD1-CD1 3.88Å; I49-Y63 HydrophobicContact CD1-CE1 4.17Å; I49-Y63 HydrophobicContact CG1-CD1 4.26Å; I49-L68 HydrophobicContact CD1-CD2 4.36Å
50K89.3Confident91.7Very high125 Ų12555.7 Ų55.754%0.54330%0.301SS..Hα-helixtrans-58.3-42.2173.6-178.8-179.3-177.6179.50111.7A46 F48 K54A46-K50 WeakPolarHBondContact O-CB 3.5Å; A46-K50 PolarHBondContact O-N 3Å; A46-K50 VanDerWaalsContact O-N 3.11Å; F48-K50 VanDerWaalsContact C-N 3.34Å; F48-K50 PolarHBondContact O-N 3.49Å; K50-K54 WeakPolarHBondContact O-CG 3.18Å
51T91.1Very high91.3Very high71 Ų7161.7 Ų61.744%0.43632%0.323SS..Hα-helixtrans-73.5-43178.8-57.40000111.3D47 F48 I49 K54 K55D47-T51 PolarHBondContact O-N 2.96Å; D47-T51 PolarHBondContact O-OG1 3.34Å; F48-T51 PolarHBondContact O-N 3.13Å; F48-T51 VanDerWaalsContact O-N 3.13Å; I49-T51 VanDerWaalsContact C-N 3.28Å; I49-T51 PolarHBondContact O-N 3.01Å; T51-K54 PolarHBondContact O-N 2.84Å; T51-K55 HydrophobicContact CG2-CD 4.49Å; T51-K55 PolarHBondContact O-N 3.34Å
52T93Very high90.9Very high16 Ų1668.5 Ų68.510%0.09836%0.358CS..Hα-helixtrans-65.8-41.8-179-61.90000112F48 I49 K54 K55 L56 L68F48-T52 WeakPolarHBondContact CE2-OG1 3.46Å; F48-T52 HydrophobicContact CZ-CG2 4.34Å; F48-T52 WeakPolarHBondContact CZ-OG1 3.42Å; F48-T52 WeakPolarHBondContact O-CB 3.12Å; F48-T52 PolarHBondContact O-N 3.25Å; F48-T52 PolarHBondContact O-OG1 3.37Å; I49-T52 PolarHBondContact O-N 3.49Å; T52-K54 VanDerWaalsContact C-N 3.3Å; T52-K54 PolarHBondContact O-N 2.66Å; T52-K55 PolarHBondContact O-N 2.74Å; T52-L56 HydrophobicContact CG2-CD1 3.77Å; T52-L56 HydrophobicContact CG2-CG 4.05Å; T52-L56 WeakPolarHBondContact O-CG 3.32Å; T52-L56 PolarHBondContact O-N 2.85Å; T52-L68 HydrophobicContact CG2-CD2 3.62Å
53K91.8Very high90.8Very high51 Ų5167.8 Ų67.822%0.22235%0.354CS..Hα-helixtrans-54.5-44.2173.9-75.1174.2170.8179.50112.8I49 K55 G57 Y60 Y63I49-K53 HydrophobicContact CG1-CD 4.4Å; I49-K53 HydrophobicContact CG1-CG 4.3Å; I49-K53 WeakPolarHBondContact O-CB 3.4Å; I49-K53 WeakPolarHBondContact O-CG 3.39Å; I49-K53 PolarHBondContact O-N 3.19Å; K53-K55 VanDerWaalsContact C-N 3.32Å; K53-K55 PolarHBondContact O-N 3.41Å; K53-G57 PolarHBondContact O-N 3.07Å; K53-Y60 WeakPolarHBondContact CG-O 3.4Å; K53-Y63 WeakPolarHBondContact CE-O 3.38Å; K53-Y63 PolarHBondContact NZ-O 2.78Å
54K90.4Very high90.8Very high133 Ų13373.2 Ų73.258%0.57838%0.383SS*.Hα-helixtrans-64.5-36.6177.9-70.2177.8179-1770112.3K50 T51 T52 W61K50-K54 WeakPolarHBondContact O-CG 3.18Å; T51-K54 PolarHBondContact O-N 2.84Å; T52-K54 VanDerWaalsContact C-N 3.3Å; T52-K54 PolarHBondContact O-N 2.66Å; K54-W61 HydrophobicContact CG-CH2 4Å; K54-W61 HydrophobicContact CG-CZ3 4.34Å
55K91.2Very high90.9Very high165 Ų16572.2 Ų72.272%0.71738%0.379SS*.Hα-helixtrans-72.9-45.1179-70175.9178.9176.30112.1T51 T52 K53T51-K55 HydrophobicContact CG2-CD 4.49Å; T51-K55 PolarHBondContact O-N 3.34Å; T52-K55 PolarHBondContact O-N 2.74Å; K53-K55 VanDerWaalsContact C-N 3.32Å; K53-K55 PolarHBondContact O-N 3.41Å
56L91.1Very high90.9Very high61 Ų6174 Ų7432%0.31939%0.389SS..Hα-helixtrans-73.3-38.6-178.4-64.7-178.3000112.3T52 Y60 L68 P75T52-L56 HydrophobicContact CG2-CD1 3.77Å; T52-L56 HydrophobicContact CG2-CG 4.05Å; T52-L56 WeakPolarHBondContact O-CG 3.32Å; T52-L56 PolarHBondContact O-N 2.85Å; L56-Y60 HydrophobicContact CB-CD2 4.32Å; L56-Y60 HydrophobicContact CB-CG 4.17Å; L56-Y60 HydrophobicContact CD1-CD1 3.95Å; L56-Y60 HydrophobicContact CD1-CD2 4.34Å; L56-Y60 HydrophobicContact CD1-CE1 4.43Å; L56-Y60 HydrophobicContact CD1-CG 3.91Å; L56-L68 HydrophobicContact CD1-CD2 4.3Å; L56-P75 HydrophobicContact CD1-CB 3.79Å; L56-P75 HydrophobicContact CD1-CG 4.02Å; L56-P75 HydrophobicContact CD2-CB 4.33Å; L56-P75 HydrophobicContact CD2-CG 3.93Å; L56-P75 HydrophobicContact CG-CG 4.5Å
57G89.6Confident91.3Very high14 Ų1472.1 Ų72.114%0.14437%0.374CS..  trans60.5-160.5-178.700000113.7K53 A59 Y60K53-G57 PolarHBondContact O-N 3.07Å; G57-A59 PolarHBondContact O-N 2.92Å; G57-Y60 WeakPolarHBondContact O-CB 3.33Å; G57-Y60 PolarHBondContact O-N 2.98Å; G57-Y60 VanDerWaalsContact O-N 3.09Å
58G89.4Confident91.7Very high63 Ų6369.7 Ų69.765%0.64936%0.361SS*.G310 helixtrans55.5-132.9175.900000114Y60 W61G58-Y60 PolarHBondContact O-N 3.35Å; G58-W61 PolarHBondContact O-N 3.44Å
59A86.7Confident91.9Very high84 Ų8467.6 Ų67.669%0.69435%0.352SS*.G310 helixtrans-62.9-21.2179.600000113.4G57 W61 I62G57-A59 PolarHBondContact O-N 2.92Å; A59-W61 VanDerWaalsContact C-N 3.26Å; A59-W61 PolarHBondContact O-N 2.7Å; A59-I62 VanDerWaalsContact O-CG1 3.31Å; A59-I62 WeakPolarHBondContact O-CG1 3.4Å
60Y89.6Confident92.1Very high45 Ų4567.7 Ų67.718%0.17635%0.353CS..G310 helixtrans-75.8-10-178.1-74.7-86.5000113.8K53 L56 G57 G58 I62 Y63 L68 P75K53-Y60 WeakPolarHBondContact CG-O 3.4Å; L56-Y60 HydrophobicContact CB-CD2 4.32Å; L56-Y60 HydrophobicContact CB-CG 4.17Å; L56-Y60 HydrophobicContact CD1-CD1 3.95Å; L56-Y60 HydrophobicContact CD1-CD2 4.34Å; L56-Y60 HydrophobicContact CD1-CE1 4.43Å; L56-Y60 HydrophobicContact CD1-CG 3.91Å; G57-Y60 WeakPolarHBondContact O-CB 3.33Å; G57-Y60 PolarHBondContact O-N 2.98Å; G57-Y60 VanDerWaalsContact O-N 3.09Å; G58-Y60 PolarHBondContact O-N 3.35Å; Y60-I62 PolarHBondContact O-N 2.74Å; Y60-Y63 AromaticContact CD1-CD2 3.6Å; Y60-Y63 HydrophobicContact CD1-CD2 3.6Å; Y60-Y63 HydrophobicContact CD1-CE2 4.18Å; Y60-Y63 HydrophobicContact CD1-CG 4.06Å; Y60-Y63 AromaticContact CE1-CD2 3.77Å; Y60-Y63 HydrophobicContact CE1-CD2 3.77Å; Y60-Y63 AromaticContact CE1-CE2 3.91Å; Y60-Y63 HydrophobicContact CE1-CE2 3.91Å; Y60-Y63 WeakPolarHBondContact O-CB 3.48Å; Y60-Y63 PolarHBondContact O-N 2.81Å; Y60-L68 HydrophobicContact CD1-CD1 4.43Å; Y60-L68 HydrophobicContact CE1-CD1 3.92Å; Y60-P75 HydrophobicContact CD2-CG 4.16Å; Y60-P75 HydrophobicContact CE1-CB 3.93Å; Y60-P75 HydrophobicContact CE1-CG 4.45Å; Y60-P75 HydrophobicContact CE2-CB 3.86Å; Y60-P75 HydrophobicContact CE2-CG 3.48Å; Y60-P75 VanDerWaalsContact CE2-CG 3.48Å; Y60-P75 VanDerWaalsContact CZ-CB 3.48Å; Y60-P75 WeakPolarHBondContact OH-CB 3.27Å; Y60-P75 PolarHBondContact OH-O 3.45Å
61W86.4Confident92.5Very high154 Ų15462.6 Ų62.658%0.58333%0.331SS*.G310 helixtrans-55.4-35.1173.8-86.5106000113.3K54 G58 A59K54-W61 HydrophobicContact CG-CH2 4Å; K54-W61 HydrophobicContact CG-CZ3 4.34Å; G58-W61 PolarHBondContact O-N 3.44Å; A59-W61 VanDerWaalsContact C-N 3.26Å; A59-W61 PolarHBondContact O-N 2.7Å
62I88Confident92.7Very high146 Ų14663.1 Ų63.175%0.74933%0.331SS*.G310 helixtrans-98.410.7-178.959.6167000113.2A59 Y60 N64A59-I62 VanDerWaalsContact O-CG1 3.31Å; A59-I62 WeakPolarHBondContact O-CG1 3.4Å; Y60-I62 PolarHBondContact O-N 2.74Å; I62-N64 PolarHBondContact O-N 2.8Å
63Y92Very high92.7Very high18 Ų1864.9 Ų64.97%0.07135%0.352CS..  trans-59.8129-177.2-169.2-95.8000112I49 K53 Y60 H65 V67 L68 G77 S78I49-Y63 HydrophobicContact CD1-CD1 3.88Å; I49-Y63 HydrophobicContact CD1-CE1 4.17Å; I49-Y63 HydrophobicContact CG1-CD1 4.26Å; K53-Y63 WeakPolarHBondContact CE-O 3.38Å; K53-Y63 PolarHBondContact NZ-O 2.78Å; Y60-Y63 AromaticContact CD1-CD2 3.6Å; Y60-Y63 HydrophobicContact CD1-CD2 3.6Å; Y60-Y63 HydrophobicContact CD1-CE2 4.18Å; Y60-Y63 HydrophobicContact CD1-CG 4.06Å; Y60-Y63 AromaticContact CE1-CD2 3.77Å; Y60-Y63 HydrophobicContact CE1-CD2 3.77Å; Y60-Y63 AromaticContact CE1-CE2 3.91Å; Y60-Y63 HydrophobicContact CE1-CE2 3.91Å; Y60-Y63 WeakPolarHBondContact O-CB 3.48Å; Y60-Y63 PolarHBondContact O-N 2.81Å; Y63-H65 HydrophobicContact CE1-CB 3.83Å; Y63-H65 HydrophobicContact CE2-CB 4.42Å; Y63-H65 AromaticContact CE2-CD2 3.66Å; Y63-H65 AromaticContact CZ-CD2 3.86Å; Y63-V67 PolarHBondContact OH-O 2.87Å; Y63-L68 HydrophobicContact CE1-CB 4.27Å; Y63-L68 HydrophobicContact CE1-CD1 4.29Å; Y63-L68 HydrophobicContact CE2-CD1 4.18Å; Y63-L68 WeakPolarHBondContact OH-CA 3.45Å; Y63-G77 VanDerWaalsContact OH-C 3.27Å; Y63-G77 PolarHBondContact OH-O 2.73Å; Y63-S78 PolarHBondContact OH-N 3.39Å
64N92.3Very high92.8Very high131 Ų13167.8 Ų67.870%0.70137%0.37SS*.  trans-139.623.4-171.366.7-14.1000113.7I62I62-N64 PolarHBondContact O-N 2.8Å
65H95.5Very high93Very high70 Ų7063.1 Ų63.132%0.32435%0.354SS..  trans-89.2164.3175-59.5-88.6000111.2W45 Y63W45-H65 WeakPolarHBondContact CZ2-O 3.46Å; Y63-H65 HydrophobicContact CE1-CB 3.83Å; Y63-H65 HydrophobicContact CE2-CB 4.42Å; Y63-H65 AromaticContact CE2-CD2 3.66Å; Y63-H65 AromaticContact CZ-CD2 3.86Å
66D95.6Very high93.3Very high55 Ų5557.6 Ų57.629%0.29433%0.331SS..SBendtrans-89.6-5-178.7-66.5-28000113.8G7 L8 K11G7-D66 CarbonylContact C-O 3.32Å; G7-D66 WeakPolarHBondContact CA-O 3.49Å; L8-D66 HydrophobicContact CB-CB 4.46Å; L8-D66 HydrophobicContact CD1-CB 3.91Å; L8-D66 HydrophobicContact CG-CB 4.39Å; L8-D66 PolarHBondContact N-O 3.16Å; K11-D66 HydrophobicContact CB-CB 4.13Å; K11-D66 WeakPolarHBondContact CD-OD2 3.37Å; K11-D66 VanDerWaalsContact CE-OD2 3.25Å; K11-D66 WeakPolarHBondContact CE-OD2 3.42Å; K11-D66 HydrophobicContact CG-CB 3.84Å
67V97.8Very high93.5Very high0 Ų054.8 Ų54.80%032%0.317CS..EExtended strand (participates in β ladder)trans-144.4133.4-178.7570000109.1I5 Y6 F14 A17 Y63 V69 E79I5-V67 HydrophobicContact CG2-CG2 3.66Å; Y6-V67 CarbonylContact O-C 3.51Å; Y6-V67 VanDerWaalsContact O-CA 3.23Å; Y6-V67 WeakPolarHBondContact O-CA 3.35Å; Y6-V67 WeakPolarHBondContact O-CG2 3.41Å; F14-V67 HydrophobicContact CB-CB 4.19Å; F14-V67 HydrophobicContact CB-CG2 4.42Å; F14-V67 HydrophobicContact CD2-CB 4.45Å; F14-V67 HydrophobicContact CD2-CG2 3.99Å; A17-V67 HydrophobicContact CB-CG2 3.89Å; Y63-V67 PolarHBondContact OH-O 2.87Å; V67-V69 HydrophobicContact CG2-CG2 4.44Å; V67-E79 HydrophobicContact CG1-CB 3.98Å; V67-E79 WeakPolarHBondContact CG1-OE2 3.32Å
68L98.1Very high93.9Very high1 Ų154.2 Ų54.21%0.00531%0.311CS..EExtended strand (participates in β ladder)trans-114.3124.8173176.667.5000110Y6 W45 F48 I49 T52 L56 Y60 Y63 I70 P75 G77Y6-L68 PolarHBondContact N-O 2.74Å; Y6-L68 PolarHBondContact O-N 2.92Å; W45-L68 HydrophobicContact CH2-CB 3.95Å; F48-L68 HydrophobicContact CE1-CD2 4.36Å; I49-L68 HydrophobicContact CD1-CD2 4.36Å; T52-L68 HydrophobicContact CG2-CD2 3.62Å; L56-L68 HydrophobicContact CD1-CD2 4.3Å; Y60-L68 HydrophobicContact CD1-CD1 4.43Å; Y60-L68 HydrophobicContact CE1-CD1 3.92Å; Y63-L68 HydrophobicContact CE1-CB 4.27Å; Y63-L68 HydrophobicContact CE1-CD1 4.29Å; Y63-L68 HydrophobicContact CE2-CD1 4.18Å; Y63-L68 WeakPolarHBondContact OH-CA 3.45Å; L68-I70 HydrophobicContact CD2-CD1 4.24Å; L68-I70 HydrophobicContact CD2-CG1 4.39Å; L68-I70 HydrophobicContact CG-CG1 4.22Å; L68-P75 HydrophobicContact CD1-CB 4.43Å; L68-G77 WeakPolarHBondContact CA-O 3.45Å
69V98.2Very high94.3Very high0 Ų052.4 Ų52.40%029%0.286CS..EExtended strand (participates in β ladder)trans-102.4131.2176.1-177.50000109.6I3 I5 A17 V67 I71 L76 G77 L82I3-V69 HydrophobicContact CG2-CG1 4.26Å; I5-V69 HydrophobicContact CD1-CB 4.13Å; I5-V69 HydrophobicContact CD1-CG1 3.75Å; I5-V69 HydrophobicContact CD1-CG2 3.69Å; A17-V69 HydrophobicContact CB-CG2 4.14Å; V67-V69 HydrophobicContact CG2-CG2 4.44Å; V69-I71 HydrophobicContact CG1-CG1 4.36Å; V69-L76 HydrophobicContact CB-CB 4.3Å; V69-L76 HydrophobicContact CG1-CB 4.19Å; V69-L76 HydrophobicContact CG1-CD2 4.03Å; V69-L76 PolarHBondContact O-N 3.05Å; V69-G77 PolarHBondContact N-O 2.76Å; V69-G77 PolarHBondContact O-N 2.57Å; V69-L82 HydrophobicContact CG1-CB 4.31Å; V69-L82 HydrophobicContact CG1-CD1 4.1Å; V69-L82 HydrophobicContact CG1-CD2 4.26Å; V69-L82 HydrophobicContact CG1-CG 4.44Å; V69-L82 HydrophobicContact CG2-CB 4.15Å; V69-L82 HydrophobicContact CG2-CD2 4.23Å
70I97.4Very high94.8Very high19 Ų1954.3 Ų54.310%0.09728%0.279CS..EExtended strand (participates in β ladder)trans-125.3132176.3-58-179.2000108.2I3 E4 Y6 L68 G73 N74I3-I70 WeakPolarHBondContact CA-O 3.44Å; E4-I70 HydrophobicContact CB-CB 4.28Å; E4-I70 PolarHBondContact N-O 2.56Å; E4-I70 PolarHBondContact O-N 2.66Å; Y6-I70 HydrophobicContact CD2-CD1 4.33Å; Y6-I70 HydrophobicContact CE2-CD1 4Å; L68-I70 HydrophobicContact CD2-CD1 4.24Å; L68-I70 HydrophobicContact CD2-CG1 4.39Å; L68-I70 HydrophobicContact CG-CG1 4.22Å; I70-G73 VanDerWaalsContact CG2-C 3.41Å; I70-N74 CarbonylContact C-O 3.41Å; I70-N74 WeakPolarHBondContact CA-O 3.41Å
71I96.7Very high95.1Very high17 Ų1755.3 Ų55.39%0.08729%0.287CS..EExtended strand (participates in β ladder)trans-120.1121.1176.6-55.5-171.5000108.6M1 I2 I3 V69 G73 N74 L76 L82 W85M1-I71 HydrophobicContact CB-CG2 4.47Å; M1-I71 HydrophobicContact SD-CG2 4.15Å; I2-I71 WeakPolarHBondContact O-CA 3.34Å; I3-I71 HydrophobicContact CG1-CG1 4.3Å; V69-I71 HydrophobicContact CG1-CG1 4.36Å; I71-G73 PolarHBondContact O-N 3.31Å; I71-G73 VanDerWaalsContact O-N 3.16Å; I71-N74 PolarHBondContact N-O 3.04Å; I71-N74 WeakPolarHBondContact O-CB 3.34Å; I71-N74 PolarHBondContact O-N 2.95Å; I71-L76 HydrophobicContact CD1-CD2 3.78Å; I71-L76 HydrophobicContact CG1-CB 4.44Å; I71-L76 HydrophobicContact CG1-CD2 4.4Å; I71-L82 HydrophobicContact CD1-CD1 4.41Å; I71-W85 HydrophobicContact CD1-CD2 3.88Å; I71-W85 HydrophobicContact CD1-CE3 3.64Å; I71-W85 HydrophobicContact CD1-CH2 3.57Å; I71-W85 HydrophobicContact CD1-CZ2 3.82Å; I71-W85 HydrophobicContact CD1-CZ3 3.5Å; I71-W85 VanDerWaalsContact CD1-CZ3 3.5Å
72D95.4Very high95.6Very high83 Ų8348 Ų4844%0.44426%0.259SS..THydrogen-bonded Turntrans49.541-178.2-66.3-28.7000112.8M1 I2 N74M1-D72 WeakPolarHBondContact CA-OD1 2.85Å; M1-D72 WeakPolarHBondContact CG-OD2 3.43Å; I2-D72 PolarHBondContact N-OD1 2.88Å; I2-D72 PolarHBondContact O-N 3.17Å; D72-N74 VanDerWaalsContact C-N 3.27Å; D72-N74 PolarHBondContact O-N 2.79Å; D72-N74 PolarHBondContact O-ND2 3.37Å
73G93.3Very high96.1Very high52 Ų5242.9 Ų42.954%0.53623%0.232SC..THydrogen-bonded Turntrans79.3-3.4-178.900000115.6I70 I71I70-G73 VanDerWaalsContact CG2-C 3.41Å; I71-G73 PolarHBondContact O-N 3.31Å; I71-G73 VanDerWaalsContact O-N 3.16Å
74N94Very high96.3Very high112 Ų11246.6 Ų46.660%0.59925%0.253SS*.EExtended strand (participates in β ladder)trans-98.9128.7177.4-60.6-71000110.7I70 I71 D72 L76I70-N74 CarbonylContact C-O 3.41Å; I70-N74 WeakPolarHBondContact CA-O 3.41Å; I71-N74 PolarHBondContact N-O 3.04Å; I71-N74 WeakPolarHBondContact O-CB 3.34Å; I71-N74 PolarHBondContact O-N 2.95Å; D72-N74 VanDerWaalsContact C-N 3.27Å; D72-N74 PolarHBondContact O-N 2.79Å; D72-N74 PolarHBondContact O-ND2 3.37Å; N74-L76 PolarHBondContact O-N 3.44Å
75P95.4Very high96.5Very high36 Ų3642.9 Ų42.923%0.23423%0.229CC..EExtended strand (participates in β ladder)trans-72.1121.6-179.334.2-38.6000110.1L56 Y60 L68L56-P75 HydrophobicContact CD1-CB 3.79Å; L56-P75 HydrophobicContact CD1-CG 4.02Å; L56-P75 HydrophobicContact CD2-CB 4.33Å; L56-P75 HydrophobicContact CD2-CG 3.93Å; L56-P75 HydrophobicContact CG-CG 4.5Å; Y60-P75 HydrophobicContact CD2-CG 4.16Å; Y60-P75 HydrophobicContact CE1-CB 3.93Å; Y60-P75 HydrophobicContact CE1-CG 4.45Å; Y60-P75 HydrophobicContact CE2-CB 3.86Å; Y60-P75 HydrophobicContact CE2-CG 3.48Å; Y60-P75 VanDerWaalsContact CE2-CG 3.48Å; Y60-P75 VanDerWaalsContact CZ-CB 3.48Å; Y60-P75 WeakPolarHBondContact OH-CB 3.27Å; Y60-P75 PolarHBondContact OH-O 3.45Å; L68-P75 HydrophobicContact CD1-CB 4.43Å
76L96.3Very high96.5Very high48 Ų4839.5 Ų39.525%0.25121%0.214SC..EExtended strand (participates in β ladder)trans-83.3-46.4176.5-178.967.1000111.1V69 I71 N74 D81 L82 W85V69-L76 HydrophobicContact CB-CB 4.3Å; V69-L76 HydrophobicContact CG1-CB 4.19Å; V69-L76 HydrophobicContact CG1-CD2 4.03Å; V69-L76 PolarHBondContact O-N 3.05Å; I71-L76 HydrophobicContact CD1-CD2 3.78Å; I71-L76 HydrophobicContact CG1-CB 4.44Å; I71-L76 HydrophobicContact CG1-CD2 4.4Å; N74-L76 PolarHBondContact O-N 3.44Å; L76-D81 HydrophobicContact CG-CB 4.18Å; L76-L82 HydrophobicContact CD2-CB 3.98Å; L76-L82 HydrophobicContact CD2-CD1 3.92Å; L76-W85 HydrophobicContact CD1-CB 4.2Å; L76-W85 HydrophobicContact CD1-CG 4.19Å; L76-W85 HydrophobicContact CD2-CB 4.07Å; L76-W85 HydrophobicContact CD2-CD2 4.49Å; L76-W85 HydrophobicContact CD2-CG 4.28Å
77G96.3Very high96.5Very high2 Ų241.5 Ų41.52%0.02122%0.221CC..EExtended strand (participates in β ladder)trans139.2-137.8-17800000112.9Y63 L68 V69Y63-G77 VanDerWaalsContact OH-C 3.27Å; Y63-G77 PolarHBondContact OH-O 2.73Å; L68-G77 WeakPolarHBondContact CA-O 3.45Å; V69-G77 PolarHBondContact N-O 2.76Å; V69-G77 PolarHBondContact O-N 2.57Å
78S97Very high96.4Very high3 Ų346.8 Ų46.82%0.02125%0.254CS..SBendtrans-83.8-175.9-179.868.80000112.9Y63 K80 D81 L82Y63-S78 PolarHBondContact OH-N 3.39Å; S78-K80 PolarHBondContact O-N 2.57Å; S78-K80 PolarHBondContact OG-N 3.39Å; S78-D81 WeakPolarHBondContact CB-OD2 3.48Å; S78-D81 PolarHBondContact N-OD2 2.93Å; S78-D81 PolarHBondContact O-N 2.79Å; S78-D81 PolarHBondContact OG-N 3.31Å; S78-D81 PolarHBondContact OG-OD2 3.2Å; S78-L82 PolarHBondContact O-N 3.41Å
79E97.3Very high96.2Very high25 Ų2552.5 Ų52.512%0.11728%0.28CS..Hα-helixtrans-60.6-34.7170.779.3-68.4175.900112.3S13 K16 A17 V67 L82 E83S13-E79 VanDerWaalsContact CB-CD 3.43Å; S13-E79 WeakPolarHBondContact CB-OE2 3.16Å; S13-E79 WeakPolarHBondContact O-CB 3.37Å; K16-E79 HydrophobicContact CD-CG 4.28Å; A17-E79 HydrophobicContact CB-CB 4.04Å; V67-E79 HydrophobicContact CG1-CB 3.98Å; V67-E79 WeakPolarHBondContact CG1-OE2 3.32Å; E79-L82 WeakPolarHBondContact O-CB 3.23Å; E79-L82 PolarHBondContact O-N 3.11Å; E79-E83 WeakPolarHBondContact O-CG 3.5Å; E79-E83 PolarHBondContact O-N 3.38Å
80K97Very high96Very high124 Ų12454.5 Ų54.554%0.53929%0.289SS..Hα-helixtrans-71.2-36.2-179.5-66.5177.8-175.2176.60111.9S78 L82 E83 N84S78-K80 PolarHBondContact O-N 2.57Å; S78-K80 PolarHBondContact OG-N 3.39Å; K80-L82 VanDerWaalsContact C-N 3.28Å; K80-E83 PolarHBondContact O-N 3.07Å; K80-N84 WeakPolarHBondContact O-CB 3.28Å; K80-N84 PolarHBondContact O-N 2.9Å; K80-N84 PolarHBondContact O-ND2 3.13Å; K80-N84 VanDerWaalsContact O-ND2 3.13Å
81D97.2Very high95.8Very high65 Ų6560.3 Ų60.335%0.34832%0.32SS..Hα-helixtrans-65.6-38.1175.4-57-62.5000110.1L76 S78 W85L76-D81 HydrophobicContact CG-CB 4.18Å; S78-D81 WeakPolarHBondContact CB-OD2 3.48Å; S78-D81 PolarHBondContact N-OD2 2.93Å; S78-D81 PolarHBondContact O-N 2.79Å; S78-D81 PolarHBondContact OG-N 3.31Å; S78-D81 PolarHBondContact OG-OD2 3.2Å; D81-W85 VanDerWaalsContact O-CB 3.22Å; D81-W85 WeakPolarHBondContact O-CB 3.37Å; D81-W85 PolarHBondContact O-N 2.91Å
82L97.6Very high95.5Very high0 Ų061.5 Ų61.50%033%0.328CS..Hα-helixtrans-63.5-48.9170.8-178.263.8000112.1I5 A17 L20 V69 I71 L76 S78 E79 K80 N84 W85 V86I5-L82 HydrophobicContact CD1-CD2 4.24Å; A17-L82 HydrophobicContact CB-CD2 4.1Å; L20-L82 HydrophobicContact CB-CD2 4.3Å; L20-L82 HydrophobicContact CD2-CD2 4.11Å; L20-L82 HydrophobicContact CD2-CG 3.87Å; L20-L82 HydrophobicContact CG-CD2 4.39Å; L20-L82 HydrophobicContact CG-CG 4.48Å; V69-L82 HydrophobicContact CG1-CB 4.31Å; V69-L82 HydrophobicContact CG1-CD1 4.1Å; V69-L82 HydrophobicContact CG1-CD2 4.26Å; V69-L82 HydrophobicContact CG1-CG 4.44Å; V69-L82 HydrophobicContact CG2-CB 4.15Å; V69-L82 HydrophobicContact CG2-CD2 4.23Å; I71-L82 HydrophobicContact CD1-CD1 4.41Å; L76-L82 HydrophobicContact CD2-CB 3.98Å; L76-L82 HydrophobicContact CD2-CD1 3.92Å; S78-L82 PolarHBondContact O-N 3.41Å; E79-L82 WeakPolarHBondContact O-CB 3.23Å; E79-L82 PolarHBondContact O-N 3.11Å; K80-L82 VanDerWaalsContact C-N 3.28Å; L82-N84 PolarHBondContact O-N 2.66Å; L82-W85 HydrophobicContact CD1-CE3 3.94Å; L82-W85 HydrophobicContact CD1-CZ3 4.32Å; L82-W85 PolarHBondContact O-N 3.37Å; L82-V86 HydrophobicContact CD1-CG2 3.76Å; L82-V86 HydrophobicContact CG-CG2 4.15Å; L82-V86 WeakPolarHBondContact O-CB 3.2Å; L82-V86 VanDerWaalsContact O-CG2 3.22Å; L82-V86 WeakPolarHBondContact O-CG2 3.18Å; L82-V86 PolarHBondContact O-N 2.86Å
83E96.9Very high95.4Very high40 Ų4060 Ų6019%0.18732%0.322CS..Hα-helixtrans-55.9-49.7177.5-72.2-174.3103.900112.6K16 L20 E79 K80 W85 V86 E87K16-E83 WeakPolarHBondContact CE-OE1 3.4Å; K16-E83 WeakPolarHBondContact CE-OE2 3.35Å; K16-E83 IonicContact NZ-OE1 3.69Å; K16-E83 PolarHBondContact NZ-OE1 2.69Å; K16-E83 IonicContact NZ-OE2 3.39Å; K16-E83 PolarHBondContact NZ-OE2 2.91Å; L20-E83 HydrophobicContact CD2-CG 3.95Å; E79-E83 WeakPolarHBondContact O-CG 3.5Å; E79-E83 PolarHBondContact O-N 3.38Å; K80-E83 PolarHBondContact O-N 3.07Å; E83-W85 VanDerWaalsContact C-N 3.31Å; E83-W85 PolarHBondContact O-N 2.67Å; E83-V86 PolarHBondContact O-N 2.86Å; E83-E87 WeakPolarHBondContact O-CB 2.82Å; E83-E87 PolarHBondContact O-N 3.18Å
84N97.2Very high95.3Very high95 Ų9558.7 Ų58.751%0.50830%0.303SS..Hα-helixtrans-62.1-41.2180-68.1-29.4000111.5K80 L82 T88K80-N84 WeakPolarHBondContact O-CB 3.28Å; K80-N84 PolarHBondContact O-N 2.9Å; K80-N84 PolarHBondContact O-ND2 3.13Å; K80-N84 VanDerWaalsContact O-ND2 3.13Å; L82-N84 PolarHBondContact O-N 2.66Å; N84-T88 WeakPolarHBondContact O-CB 3.44Å; N84-T88 PolarHBondContact O-N 3.16Å; N84-T88 PolarHBondContact O-OG1 3.41Å
85W97Very high95.3Very high53 Ų5362.8 Ų62.820%0.20131%0.311CS..Hα-helixtrans-65.3-44.7177.6178.377.9000111.5M1 L24 F32 I71 L76 D81 L82 E83 T88 E89 F90M1-W85 HydrophobicContact CE-CH2 3.79Å; M1-W85 HydrophobicContact CE-CZ2 4.08Å; M1-W85 HydrophobicContact SD-CH2 4.16Å; M1-W85 HydrophobicContact SD-CZ2 4.13Å; L24-W85 HydrophobicContact CD1-CZ3 4.23Å; F32-W85 AromaticContact CE1-CH2 3.73Å; F32-W85 HydrophobicContact CE1-CH2 3.73Å; F32-W85 HydrophobicContact CE1-CZ3 4.1Å; F32-W85 AromaticContact CZ-CH2 3.67Å; F32-W85 HydrophobicContact CZ-CH2 3.67Å; F32-W85 AromaticContact CZ-CZ3 3.99Å; F32-W85 HydrophobicContact CZ-CZ3 3.99Å; I71-W85 HydrophobicContact CD1-CD2 3.88Å; I71-W85 HydrophobicContact CD1-CE3 3.64Å; I71-W85 HydrophobicContact CD1-CH2 3.57Å; I71-W85 HydrophobicContact CD1-CZ2 3.82Å; I71-W85 HydrophobicContact CD1-CZ3 3.5Å; I71-W85 VanDerWaalsContact CD1-CZ3 3.5Å; L76-W85 HydrophobicContact CD1-CB 4.2Å; L76-W85 HydrophobicContact CD1-CG 4.19Å; L76-W85 HydrophobicContact CD2-CB 4.07Å; L76-W85 HydrophobicContact CD2-CD2 4.49Å; L76-W85 HydrophobicContact CD2-CG 4.28Å; D81-W85 VanDerWaalsContact O-CB 3.22Å; D81-W85 WeakPolarHBondContact O-CB 3.37Å; D81-W85 PolarHBondContact O-N 2.91Å; L82-W85 HydrophobicContact CD1-CE3 3.94Å; L82-W85 HydrophobicContact CD1-CZ3 4.32Å; L82-W85 PolarHBondContact O-N 3.37Å; E83-W85 VanDerWaalsContact C-N 3.31Å; E83-W85 PolarHBondContact O-N 2.67Å; W85-T88 PolarHBondContact O-N 3.36Å; W85-E89 HydrophobicContact CD2-CG 4.42Å; W85-E89 HydrophobicContact CG-CG 4.4Å; W85-E89 WeakPolarHBondContact O-CB 3.2Å; W85-E89 WeakPolarHBondContact O-CG 3.48Å; W85-E89 PolarHBondContact O-N 3.25Å; W85-F90 HydrophobicContact CE3-CE2 4.49Å; W85-F90 HydrophobicContact CH2-CD2 4.45Å; W85-F90 AromaticContact CH2-CE2 3.51Å; W85-F90 HydrophobicContact CH2-CE2 3.51Å; W85-F90 HydrophobicContact CH2-CZ 4.23Å; W85-F90 AromaticContact CZ2-CE2 3.91Å; W85-F90 HydrophobicContact CZ2-CE2 3.91Å; W85-F90 HydrophobicContact CZ3-CD2 4.36Å; W85-F90 AromaticContact CZ3-CE2 3.83Å; W85-F90 HydrophobicContact CZ3-CE2 3.83Å
86V95.5Very high95.3Very high0 Ų063.9 Ų63.90%031%0.311CS..Hα-helixtrans-66-41.2178.91720000112.2L20 L24 L82 E83 T88 F90 N91 V92L20-V86 HydrophobicContact CD1-CG1 4.05Å; L20-V86 HydrophobicContact CD2-CB 4.23Å; L20-V86 HydrophobicContact CD2-CG1 4.5Å; L20-V86 HydrophobicContact CD2-CG2 4.04Å; L20-V86 HydrophobicContact CG-CG1 4.45Å; L20-V86 HydrophobicContact CG-CG2 4.22Å; L24-V86 HydrophobicContact CD1-CG2 3.65Å; L24-V86 HydrophobicContact CD2-CG1 3.95Å; L24-V86 HydrophobicContact CD2-CG2 4.34Å; L24-V86 HydrophobicContact CG-CG2 4.34Å; L82-V86 HydrophobicContact CD1-CG2 3.76Å; L82-V86 HydrophobicContact CG-CG2 4.15Å; L82-V86 WeakPolarHBondContact O-CB 3.2Å; L82-V86 VanDerWaalsContact O-CG2 3.22Å; L82-V86 WeakPolarHBondContact O-CG2 3.18Å; L82-V86 PolarHBondContact O-N 2.86Å; E83-V86 PolarHBondContact O-N 2.86Å; V86-T88 VanDerWaalsContact C-N 3.33Å; V86-F90 CarbonylContact O-C 3.48Å; V86-F90 WeakPolarHBondContact O-CA 3.47Å; V86-F90 WeakPolarHBondContact O-CB 3.44Å; V86-F90 PolarHBondContact O-N 3.4Å; V86-N91 PolarHBondContact O-N 2.89Å; V86-V92 HydrophobicContact CG1-CB 3.52Å; V86-V92 HydrophobicContact CG1-CG1 3.8Å
87E95.5Very high95.3Very high97 Ų9765.3 Ų65.345%0.45332%0.323SS..Hα-helixtrans-63.1-41.8175-175.6173.6-163.800111.1E83 N91 V92E83-E87 WeakPolarHBondContact O-CB 2.82Å; E83-E87 PolarHBondContact O-N 3.18Å; E87-N91 WeakPolarHBondContact O-CA 3.41Å; E87-N91 PolarHBondContact O-N 3.4Å; E87-N91 VanDerWaalsContact O-N 3.09Å; E87-V92 WeakPolarHBondContact CA-O 2.94Å; E87-V92 PolarHBondContact N-O 3.39Å
88T95.6Very high95.2Very high111 Ų11169.8 Ų69.868%0.68135%0.345SS*.Hα-helixtrans-70.7-45.1-178.7-57.60000112.6N84 W85 V86N84-T88 WeakPolarHBondContact O-CB 3.44Å; N84-T88 PolarHBondContact O-N 3.16Å; N84-T88 PolarHBondContact O-OG1 3.41Å; W85-T88 PolarHBondContact O-N 3.36Å; V86-T88 VanDerWaalsContact C-N 3.33Å
89E93.8Very high95.1Very high121 Ų12174.6 Ų74.657%0.56537%0.374SS*.Hα-helixtrans-89.7-31.3-171.2-63.5-61.7138.800113.1W85W85-E89 HydrophobicContact CD2-CG 4.42Å; W85-E89 HydrophobicContact CG-CG 4.4Å; W85-E89 WeakPolarHBondContact O-CB 3.2Å; W85-E89 WeakPolarHBondContact O-CG 3.48Å; W85-E89 PolarHBondContact O-N 3.25Å
90F93.4Very high95.1Very high42 Ų4276.6 Ų76.618%0.18439%0.385CS..Hα-helixtrans-122.5-4.8-172.8-58.1-80.9000113.5M1 L24 I31 F32 W85 V86 V92M1-F90 HydrophobicContact CE-CE2 4.25Å; M1-F90 HydrophobicContact CE-CZ 3.59Å; L24-F90 HydrophobicContact CD2-CD2 4.3Å; L24-F90 HydrophobicContact CD2-CG 4.29Å; I31-F90 HydrophobicContact CD1-CE1 3.9Å; I31-F90 HydrophobicContact CG2-CE1 4.42Å; F32-F90 HydrophobicContact CE2-CD1 4.29Å; F32-F90 AromaticContact CE2-CE1 3.77Å; F32-F90 HydrophobicContact CE2-CE1 3.77Å; F32-F90 HydrophobicContact CE2-CE2 4.08Å; F32-F90 AromaticContact CE2-CZ 3.68Å; F32-F90 HydrophobicContact CE2-CZ 3.68Å; F32-F90 HydrophobicContact CZ-CD2 4.29Å; F32-F90 HydrophobicContact CZ-CE1 4.07Å; F32-F90 AromaticContact CZ-CE2 3.59Å; F32-F90 HydrophobicContact CZ-CE2 3.59Å; F32-F90 AromaticContact CZ-CZ 3.47Å; F32-F90 HydrophobicContact CZ-CZ 3.47Å; F32-F90 VanDerWaalsContact CZ-CZ 3.47Å; W85-F90 HydrophobicContact CE3-CE2 4.49Å; W85-F90 HydrophobicContact CH2-CD2 4.45Å; W85-F90 AromaticContact CH2-CE2 3.51Å; W85-F90 HydrophobicContact CH2-CE2 3.51Å; W85-F90 HydrophobicContact CH2-CZ 4.23Å; W85-F90 AromaticContact CZ2-CE2 3.91Å; W85-F90 HydrophobicContact CZ2-CE2 3.91Å; W85-F90 HydrophobicContact CZ3-CD2 4.36Å; W85-F90 AromaticContact CZ3-CE2 3.83Å; W85-F90 HydrophobicContact CZ3-CE2 3.83Å; V86-F90 CarbonylContact O-C 3.48Å; V86-F90 WeakPolarHBondContact O-CA 3.47Å; V86-F90 WeakPolarHBondContact O-CB 3.44Å; V86-F90 PolarHBondContact O-N 3.4Å; F90-V92 HydrophobicContact CB-CG2 4.11Å; F90-V92 PolarHBondContact O-N 2.91Å
91N93Very high95Very high140 Ų14070.7 Ų70.775%0.74936%0.359SS*.  trans53.237.2-176.2-170.368.6000112V86 E87V86-N91 PolarHBondContact O-N 2.89Å; E87-N91 WeakPolarHBondContact O-CA 3.41Å; E87-N91 PolarHBondContact O-N 3.4Å; E87-N91 VanDerWaalsContact O-N 3.09Å
92V91.6Very high94.9Very high42 Ų4269.8 Ų69.826%0.25536%0.359SS..  trans-104.1125.1175.8168.60000108L20 V86 E87 F90L20-V92 HydrophobicContact CD1-CG1 4.19Å; V86-V92 HydrophobicContact CG1-CB 3.52Å; V86-V92 HydrophobicContact CG1-CG1 3.8Å; E87-V92 WeakPolarHBondContact CA-O 2.94Å; E87-V92 PolarHBondContact N-O 3.39Å; F90-V92 HydrophobicContact CB-CG2 4.11Å; F90-V92 PolarHBondContact O-N 2.91Å
93T92.3Very high94.8Very high52 Ų5273.4 Ų73.432%0.31938%0.384SS..  trans-121.3134.8177.8-50.90000109.6Y95T93-Y95 HydrophobicContact CG2-CD1 4.32Å; T93-Y95 HydrophobicContact CG2-CE1 3.73Å; T93-Y95 HydrophobicContact CG2-CE2 4.04Å; T93-Y95 WeakPolarHBondContact O-CD2 3.22Å
94D91.8Very high94.8Very high25 Ų2573.4 Ų73.413%0.13439%0.385CS..  trans-91.2105.9-179.3-169.5-14.9000111.6R96 Y101D94-R96 VanDerWaalsContact CG-NH2 3.34Å; D94-R96 VanDerWaalsContact OD1-CB 3.32Å; D94-R96 WeakPolarHBondContact OD1-CB 3.46Å; D94-R96 WeakPolarHBondContact OD1-CG 3.41Å; D94-R96 IonicContact OD1-CZ 3.46Å; D94-R96 PolarHBondContact OD1-N 2.81Å; D94-R96 IonicContact OD1-NE 2.7Å; D94-R96 PolarHBondContact OD1-NE 2.94Å; D94-R96 IonicContact OD1-NH2 2.74Å; D94-R96 IonicContact OD2-CZ 2.82Å; D94-R96 IonicContact OD2-NE 3.59Å; D94-R96 PolarHBondContact OD2-NE 3.03Å; D94-R96 IonicContact OD2-NH2 3.11Å; D94-R96 PolarHBondContact OD2-NH2 3.34Å; D94-Y101 PolarHBondContact OD1-OH 3.25Å; D94-Y101 PolarHBondContact OD2-OH 3.33Å
95Y93.7Very high94.7Very high197 Ų19769 Ų6977%0.77336%0.362SS*.  trans-95.77.9-180-60.6-72.3000113.8T93T93-Y95 HydrophobicContact CG2-CD1 4.32Å; T93-Y95 HydrophobicContact CG2-CE1 3.73Å; T93-Y95 HydrophobicContact CG2-CE2 4.04Å; T93-Y95 WeakPolarHBondContact O-CD2 3.22Å
96R95.8Very high94.5Very high59 Ų5969 Ų6922%0.22337%0.366CS..  trans-68139.2-178-66.6171.5-70.3-152.20.3110.4D23 D94 L100 Y101D23-R96 IonicContact OD1-NH1 3.59Å; D23-R96 PolarHBondContact OD1-NH1 2.87Å; D23-R96 IonicContact OD2-CZ 3.41Å; D23-R96 IonicContact OD2-NH1 2.81Å; D23-R96 PolarHBondContact OD2-NH1 3.49Å; D23-R96 IonicContact OD2-NH2 3.6Å; D23-R96 PolarHBondContact OD2-NH2 3.09Å; D94-R96 VanDerWaalsContact CG-NH2 3.34Å; D94-R96 VanDerWaalsContact OD1-CB 3.32Å; D94-R96 WeakPolarHBondContact OD1-CB 3.46Å; D94-R96 WeakPolarHBondContact OD1-CG 3.41Å; D94-R96 IonicContact OD1-CZ 3.46Å; D94-R96 PolarHBondContact OD1-N 2.81Å; D94-R96 IonicContact OD1-NE 2.7Å; D94-R96 PolarHBondContact OD1-NE 2.94Å; D94-R96 IonicContact OD1-NH2 2.74Å; D94-R96 IonicContact OD2-CZ 2.82Å; D94-R96 IonicContact OD2-NE 3.59Å; D94-R96 PolarHBondContact OD2-NE 3.03Å; D94-R96 IonicContact OD2-NH2 3.11Å; D94-R96 PolarHBondContact OD2-NH2 3.34Å; R96-L100 HydrophobicContact CB-CD2 3.92Å; R96-L100 HydrophobicContact CG-CD2 3.99Å; R96-Y101 HydrophobicContact CB-CE2 4.2Å; R96-Y101 WeakPolarHBondContact CB-OH 3.32Å; R96-Y101 PolarHBondContact NE-OH 3.14Å; R96-Y101 PolarHBondContact NH2-OH 2.9Å
97P95.9Very high94.4Very high79 Ų7971.9 Ų71.951%0.51338%0.381SS..  trans-71.1149-178.130.2-35.4000111.2T99 L100P97-T99 PolarHBondContact O-N 2.98Å; P97-T99 VanDerWaalsContact O-N 3.1Å; P97-L100 HydrophobicContact CG-CB 4.28Å; P97-L100 WeakPolarHBondContact O-CB 3.42Å; P97-L100 PolarHBondContact O-N 3.18Å
98M94.2Very high94.4Very high95 Ų9567.8 Ų67.847%0.46836%0.364SS..Hα-helixtrans-54-34177.8-71.6-57.3-60.400113.5E12 L100 Y101 S102E12-M98 HydrophobicContact CB-CE 3.87Å; E12-M98 HydrophobicContact CG-CE 4.27Å; E12-M98 WeakPolarHBondContact OE2-CE 3.36Å; M98-L100 PolarHBondContact O-N 2.78Å; M98-Y101 WeakPolarHBondContact O-CB 3.25Å; M98-Y101 PolarHBondContact O-N 3.38Å; M98-Y101 HydrophobicContact SD-CD2 4.08Å; M98-S102 PolarHBondContact O-N 2.82Å; M98-S102 PolarHBondContact O-OG 3.22Å
99T95.4Very high94.3Very high104 Ų10462.6 Ų62.664%0.63833%0.332SS*.Hα-helixtrans-60.3-28.9177.852.20000113.6P97 S103P97-T99 PolarHBondContact O-N 2.98Å; P97-T99 VanDerWaalsContact O-N 3.1Å; T99-S103 WeakPolarHBondContact O-CB 3.4Å; T99-S103 PolarHBondContact O-N 2.99Å; T99-S103 VanDerWaalsContact O-N 3.09Å
100L95.8Very high94.3Very high67 Ų6759 Ų5935%0.35132%0.315SS..Hα-helixtrans-66.5-45.9173179.466.9000110.2R96 P97 M98 S102 S103 L104R96-L100 HydrophobicContact CB-CD2 3.92Å; R96-L100 HydrophobicContact CG-CD2 3.99Å; P97-L100 HydrophobicContact CG-CB 4.28Å; P97-L100 WeakPolarHBondContact O-CB 3.42Å; P97-L100 PolarHBondContact O-N 3.18Å; M98-L100 PolarHBondContact O-N 2.78Å; L100-S102 PolarHBondContact O-N 3.32Å; L100-S103 PolarHBondContact O-N 2.65Å; L100-L104 HydrophobicContact CD1-CD1 4.32Å; L100-L104 HydrophobicContact CD1-CG 4.41Å; L100-L104 HydrophobicContact CG-CD1 3.97Å; L100-L104 HydrophobicContact CG-CG 4.46Å; L100-L104 VanDerWaalsContact O-CG 3.32Å; L100-L104 WeakPolarHBondContact O-CG 3.26Å; L100-L104 PolarHBondContact O-N 2.88Å
101Y96.7Very high94.3Very high0 Ų062.7 Ų62.70%033%0.331CS..Hα-helixtrans-64.4-40.3178.4-61.6-56000112.4Q15 K16 L19 D94 R96 M98 S103 L104 A105Q15-Y101 HydrophobicContact CB-CD1 4.05Å; K16-Y101 HydrophobicContact CB-CD1 4.15Å; K16-Y101 HydrophobicContact CB-CD2 4.5Å; K16-Y101 HydrophobicContact CB-CE1 3.97Å; K16-Y101 HydrophobicContact CB-CE2 4.33Å; K16-Y101 HydrophobicContact CB-CG 4.44Å; K16-Y101 HydrophobicContact CD-CE2 4.22Å; K16-Y101 HydrophobicContact CG-CE1 4.16Å; K16-Y101 HydrophobicContact CG-CE2 4Å; L19-Y101 HydrophobicContact CD1-CD1 4.36Å; L19-Y101 HydrophobicContact CD1-CE1 3.8Å; D94-Y101 PolarHBondContact OD1-OH 3.25Å; D94-Y101 PolarHBondContact OD2-OH 3.33Å; R96-Y101 HydrophobicContact CB-CE2 4.2Å; R96-Y101 WeakPolarHBondContact CB-OH 3.32Å; R96-Y101 PolarHBondContact NE-OH 3.14Å; R96-Y101 PolarHBondContact NH2-OH 2.9Å; M98-Y101 WeakPolarHBondContact O-CB 3.25Å; M98-Y101 PolarHBondContact O-N 3.38Å; M98-Y101 HydrophobicContact SD-CD2 4.08Å; Y101-S103 VanDerWaalsContact C-N 3.3Å; Y101-S103 PolarHBondContact O-N 3.43Å; Y101-L104 PolarHBondContact O-N 3.39Å; Y101-A105 VanDerWaalsContact O-CB 3.24Å; Y101-A105 WeakPolarHBondContact O-CB 3.19Å; Y101-A105 PolarHBondContact O-N 3.38Å
102S94.8Very high94.2Very high47 Ų4758.5 Ų58.533%0.32931%0.305SS..Hα-helixtrans-60.5-43.1174.9-33.60000110.9E12 M98 L100 A105 L106E12-S102 WeakPolarHBondContact OE1-CB 3.28Å; E12-S102 PolarHBondContact OE1-OG 3.26Å; M98-S102 PolarHBondContact O-N 2.82Å; M98-S102 PolarHBondContact O-OG 3.22Å; L100-S102 PolarHBondContact O-N 3.32Å; S102-A105 PolarHBondContact O-N 3.29Å; S102-L106 PolarHBondContact O-N 3.43Å
103S95.1Very high94.2Very high75 Ų7556.6 Ų56.652%0.52429%0.293SS..Hα-helixtrans-65.6-42.5178-172.90000112.2T99 L100 Y101 D107T99-S103 WeakPolarHBondContact O-CB 3.4Å; T99-S103 PolarHBondContact O-N 2.99Å; T99-S103 VanDerWaalsContact O-N 3.09Å; L100-S103 PolarHBondContact O-N 2.65Å; Y101-S103 VanDerWaalsContact C-N 3.3Å; Y101-S103 PolarHBondContact O-N 3.43Å; S103-D107 WeakPolarHBondContact O-CB 3.34Å; S103-D107 PolarHBondContact O-N 3.19Å
104L95.9Very high94.2Very high40 Ų4057.6 Ų57.621%0.20930%0.296CS..Hα-helixtrans-67.1-38177.5-72.1171.1000111.7Q15 L19 L100 Y101 D107 A108Q15-L104 HydrophobicContact CB-CB 4.42Å; Q15-L104 HydrophobicContact CG-CB 4.24Å; L19-L104 HydrophobicContact CD1-CD1 3.32Å; L19-L104 HydrophobicContact CG-CD1 4.25Å; L100-L104 HydrophobicContact CD1-CD1 4.32Å; L100-L104 HydrophobicContact CD1-CG 4.41Å; L100-L104 HydrophobicContact CG-CD1 3.97Å; L100-L104 HydrophobicContact CG-CG 4.46Å; L100-L104 VanDerWaalsContact O-CG 3.32Å; L100-L104 WeakPolarHBondContact O-CG 3.26Å; L100-L104 PolarHBondContact O-N 2.88Å; Y101-L104 PolarHBondContact O-N 3.39Å; L104-D107 PolarHBondContact O-N 2.95Å; L104-A108 WeakPolarHBondContact O-CB 3.4Å; L104-A108 PolarHBondContact O-N 2.82Å
105A95.7Very high94.1Very high4 Ų464.4 Ų64.43%0.03333%0.326CS..Hα-helixtrans-63.5-45.4177.600000111Q15 Y101 S102 Y109Q15-A105 HydrophobicContact CG-CB 3.82Å; Y101-A105 VanDerWaalsContact O-CB 3.24Å; Y101-A105 WeakPolarHBondContact O-CB 3.19Å; Y101-A105 PolarHBondContact O-N 3.38Å; S102-A105 PolarHBondContact O-N 3.29Å; A105-Y109 VanDerWaalsContact O-CB 3.23Å; A105-Y109 WeakPolarHBondContact O-CB 3.35Å; A105-Y109 PolarHBondContact O-N 3.42Å
106L93.2Very high93.7Very high53 Ų5357.5 Ų57.528%0.27730%0.303SS..Hα-helixtrans-63.3-47176-176.762.7000111.7S102 Y109 Q110 L295S102-L106 PolarHBondContact O-N 3.43Å; L106-Y109 PolarHBondContact O-N 3.45Å; L106-Q110 VanDerWaalsContact O-CB 3.25Å; L106-Q110 WeakPolarHBondContact O-CB 3.17Å; L106-Q110 PolarHBondContact O-N 3.32Å; L106-L295 HydrophobicContact CD1-CB 4.39Å
107D94Very high93.4Very high59 Ų5961.6 Ų61.632%0.31633%0.329SS..Hα-helixtrans-63.3-43178.7175.266.7000112.2S103 L104 Q110 K111S103-D107 WeakPolarHBondContact O-CB 3.34Å; S103-D107 PolarHBondContact O-N 3.19Å; L104-D107 PolarHBondContact O-N 2.95Å; D107-Q110 PolarHBondContact O-N 2.96Å; D107-K111 WeakPolarHBondContact O-CB 3.32Å; D107-K111 VanDerWaalsContact O-CG 3.28Å; D107-K111 WeakPolarHBondContact O-CG 3.33Å; D107-K111 PolarHBondContact O-N 3.4Å; D107-K111 WeakPolarHBondContact OD1-CE 3.45Å; D107-K111 IonicContact OD1-NZ 3.38Å; D107-K111 PolarHBondContact OD1-NZ 3.23Å; D107-K111 VanDerWaalsContact OD2-CE 3.26Å; D107-K111 WeakPolarHBondContact OD2-CE 3.42Å; D107-K111 IonicContact OD2-NZ 2.73Å; D107-K111 PolarHBondContact OD2-NZ 3.5Å
108A94.6Very high93.3Very high12 Ų1260.6 Ų60.610%0.09932%0.315CS..Hα-helixtrans-65-44.8177.400000111.5V9 L104 K111 R112V9-A108 HydrophobicContact CG2-CB 3.67Å; L104-A108 WeakPolarHBondContact O-CB 3.4Å; L104-A108 PolarHBondContact O-N 2.82Å; A108-K111 PolarHBondContact O-N 2.87Å; A108-R112 WeakPolarHBondContact O-CB 3.43Å; A108-R112 PolarHBondContact O-N 3.22Å
109Y93.8Very high93.4Very high1 Ų158.1 Ų58.10%0.00430%0.303CS..Hα-helixtrans-60.9-46175.6-176-99000111.5V9 H10 F41 A105 L106 R112 L113 L136 E260 L295 V300V9-Y109 HydrophobicContact CG1-CD2 3.71Å; H10-Y109 HydrophobicContact CB-CD2 3.7Å; H10-Y109 HydrophobicContact CB-CE2 4.34Å; H10-Y109 HydrophobicContact CB-CG 4.1Å; F41-Y109 AromaticContact CD1-CD2 3.99Å; F41-Y109 HydrophobicContact CD1-CD2 3.99Å; F41-Y109 AromaticContact CD1-CE2 3.52Å; F41-Y109 HydrophobicContact CD1-CE2 3.52Å; F41-Y109 AromaticContact CE1-CD2 3.67Å; F41-Y109 HydrophobicContact CE1-CD2 3.67Å; F41-Y109 AromaticContact CE1-CE2 3.38Å; F41-Y109 HydrophobicContact CE1-CE2 3.38Å; A105-Y109 VanDerWaalsContact O-CB 3.23Å; A105-Y109 WeakPolarHBondContact O-CB 3.35Å; A105-Y109 PolarHBondContact O-N 3.42Å; L106-Y109 PolarHBondContact O-N 3.45Å; Y109-R112 PolarHBondContact O-N 2.96Å; Y109-L113 HydrophobicContact CD1-CD1 3.8Å; Y109-L113 HydrophobicContact CD1-CG 4.43Å; Y109-L113 HydrophobicContact CE1-CD1 3.29Å; Y109-L113 HydrophobicContact CE1-CG 4.11Å; Y109-L113 WeakPolarHBondContact O-CG 3.23Å; Y109-L113 PolarHBondContact O-N 3.43Å; Y109-L136 WeakPolarHBondContact OH-CD2 3.24Å; Y109-E260 HydrophobicContact CE2-CG 4.34Å; Y109-E260 WeakPolarHBondContact OH-CG 3.09Å; Y109-L295 HydrophobicContact CD1-CD1 4.14Å; Y109-L295 HydrophobicContact CE1-CD1 4.43Å; Y109-V300 HydrophobicContact CD1-CG2 3.87Å; Y109-V300 HydrophobicContact CE1-CG2 3.81Å; Y109-V300 HydrophobicContact CG-CG2 4.46Å
110Q92.9Very high93.4Very high47 Ų4753.5 Ų53.522%0.2227%0.274CS..Hα-helixtrans-58.3-50.3175.4175.2166.36.800112.3L106 D107 R112 L113 L114 A292 L295L106-Q110 VanDerWaalsContact O-CB 3.25Å; L106-Q110 WeakPolarHBondContact O-CB 3.17Å; L106-Q110 PolarHBondContact O-N 3.32Å; D107-Q110 PolarHBondContact O-N 2.96Å; Q110-R112 VanDerWaalsContact C-N 3.28Å; Q110-R112 PolarHBondContact O-N 3.09Å; Q110-L113 PolarHBondContact O-N 3Å; Q110-L114 HydrophobicContact CG-CD1 3.98Å; Q110-L114 WeakPolarHBondContact O-CG 3.24Å; Q110-L114 PolarHBondContact O-N 3.02Å; Q110-A292 VanDerWaalsContact CD-O 3.3Å; Q110-A292 VanDerWaalsContact CG-O 3.24Å; Q110-A292 WeakPolarHBondContact CG-O 3.36Å; Q110-A292 PolarHBondContact NE2-O 3.48Å; Q110-L295 HydrophobicContact CB-CD1 3.71Å; Q110-L295 HydrophobicContact CG-CD1 4.01Å
111K93.2Very high93.4Very high119 Ų11950.3 Ų50.352%0.51726%0.258SS..Hα-helixtrans-59.2-40.6178.1-78.5170.5176.8166.10111.7D107 A108 L114 H115D107-K111 WeakPolarHBondContact O-CB 3.32Å; D107-K111 VanDerWaalsContact O-CG 3.28Å; D107-K111 WeakPolarHBondContact O-CG 3.33Å; D107-K111 PolarHBondContact O-N 3.4Å; D107-K111 WeakPolarHBondContact OD1-CE 3.45Å; D107-K111 IonicContact OD1-NZ 3.38Å; D107-K111 PolarHBondContact OD1-NZ 3.23Å; D107-K111 VanDerWaalsContact OD2-CE 3.26Å; D107-K111 WeakPolarHBondContact OD2-CE 3.42Å; D107-K111 IonicContact OD2-NZ 2.73Å; D107-K111 PolarHBondContact OD2-NZ 3.5Å; A108-K111 PolarHBondContact O-N 2.87Å; K111-L114 PolarHBondContact O-N 2.89Å; K111-H115 WeakPolarHBondContact O-CB 3.35Å; K111-H115 PolarHBondContact O-N 3Å
112R92.3Very high93.4Very high52 Ų5250.5 Ų50.520%0.19626%0.259CS..Hα-helixtrans-64.3-46.4177.7-168.5-177176.9105.5-5111.6E39 F41 E44 A108 Y109 Q110 L114 H115 L116E39-R112 VanDerWaalsContact CB-NH1 3.28Å; E39-R112 VanDerWaalsContact O-CZ 3.27Å; E39-R112 PolarHBondContact O-NH1 3.44Å; E39-R112 PolarHBondContact O-NH2 3.43Å; E39-R112 VanDerWaalsContact O-NH2 3.07Å; F41-R112 HydrophobicContact CE1-CG 4.28Å; F41-R112 HydrophobicContact CE2-CG 3.83Å; F41-R112 HydrophobicContact CZ-CB 4.05Å; F41-R112 HydrophobicContact CZ-CG 3.54Å; E44-R112 IonicContact OE1-NH2 3.19Å; E44-R112 PolarHBondContact OE1-NH2 2.96Å; E44-R112 IonicContact OE2-CZ 2.87Å; E44-R112 IonicContact OE2-NE 2.65Å; E44-R112 IonicContact OE2-NH2 2.57Å; E44-R112 PolarHBondContact OE2-NH2 2.83Å; A108-R112 WeakPolarHBondContact O-CB 3.43Å; A108-R112 PolarHBondContact O-N 3.22Å; Y109-R112 PolarHBondContact O-N 2.96Å; Q110-R112 VanDerWaalsContact C-N 3.28Å; Q110-R112 PolarHBondContact O-N 3.09Å; R112-L114 VanDerWaalsContact C-N 3.32Å; R112-L114 PolarHBondContact O-N 2.74Å; R112-H115 PolarHBondContact O-N 3.06Å; R112-L116 PolarHBondContact O-N 3.13Å
113L92.2Very high93.6Very high2 Ų248.2 Ų48.21%0.0124%0.243CC..Hα-helixtrans-60.3-41.5175.6-72.1177000112.3F41 Y109 Q110 H120 I259 A292 L295F41-L113 HydrophobicContact CE1-CD2 3.97Å; F41-L113 HydrophobicContact CE1-CG 4.26Å; F41-L113 HydrophobicContact CZ-CD2 3.68Å; F41-L113 HydrophobicContact CZ-CG 4.13Å; Y109-L113 HydrophobicContact CD1-CD1 3.8Å; Y109-L113 HydrophobicContact CD1-CG 4.43Å; Y109-L113 HydrophobicContact CE1-CD1 3.29Å; Y109-L113 HydrophobicContact CE1-CG 4.11Å; Y109-L113 WeakPolarHBondContact O-CG 3.23Å; Y109-L113 PolarHBondContact O-N 3.43Å; Q110-L113 PolarHBondContact O-N 3Å; L113-H120 WeakPolarHBondContact CD2-NE2 3.5Å; L113-I259 HydrophobicContact CD2-CD1 3.77Å; L113-A292 HydrophobicContact CB-CB 3.94Å; L113-L295 HydrophobicContact CD1-CD1 3.68Å; L113-L295 HydrophobicContact CD1-CD2 4.02Å; L113-L295 HydrophobicContact CD1-CG 4.49Å
114L90.7Very high93.7Very high72 Ų7247.9 Ų47.938%0.37723%0.233SC..Hα-helixtrans-66-38.7176-72.5169.3000112.3Q110 K111 R112 L116 N117 A292Q110-L114 HydrophobicContact CG-CD1 3.98Å; Q110-L114 WeakPolarHBondContact O-CG 3.24Å; Q110-L114 PolarHBondContact O-N 3.02Å; K111-L114 PolarHBondContact O-N 2.89Å; R112-L114 VanDerWaalsContact C-N 3.32Å; R112-L114 PolarHBondContact O-N 2.74Å; L114-L116 VanDerWaalsContact C-N 3.34Å; L114-L116 PolarHBondContact O-N 2.54Å; L114-N117 PolarHBondContact O-N 3Å; L114-A292 HydrophobicContact CD2-CB 3.67Å; L114-A292 HydrophobicContact CG-CB 3.81Å
115H89.9Confident93.8Very high168 Ų16846.1 Ų46.178%0.77822%0.224SC*.Hα-helixtrans-65.7-35.2-179.1-174.867.4000112.9K111 R112 N117K111-H115 WeakPolarHBondContact O-CB 3.35Å; K111-H115 PolarHBondContact O-N 3Å; R112-H115 PolarHBondContact O-N 3.06Å; H115-N117 PolarHBondContact O-N 3.1Å
116L86.5Confident93.9Very high53 Ų5346 Ų4628%0.27722%0.223SC..Hα-helixtrans-61.8-26175.4-71.3175.6000112.8F41 R112 L114 R118 E138F41-L116 HydrophobicContact CE2-CD1 3.69Å; F41-L116 HydrophobicContact CZ-CD1 4.19Å; R112-L116 PolarHBondContact O-N 3.13Å; L114-L116 VanDerWaalsContact C-N 3.34Å; L114-L116 PolarHBondContact O-N 2.54Å; L116-R118 HydrophobicContact CB-CB 4.49Å; L116-R118 WeakPolarHBondContact O-CG 3.33Å; L116-R118 PolarHBondContact O-N 3.24Å; L116-R118 VanDerWaalsContact O-N 3.14Å; L116-E138 WeakPolarHBondContact CD1-OE1 3.19Å
117N88.8Confident94.2Very high145 Ų14544.6 Ų44.678%0.77522%0.216SC*.THydrogen-bonded Turntrans49.439.3-179.8-168.144.2000113.3L114 H115L114-N117 PolarHBondContact O-N 3Å; H115-N117 PolarHBondContact O-N 3.1Å
118R94.2Very high94.3Very high57 Ų5746 Ų4622%0.21522%0.224CC..  trans-120.5161.3-177.8-81.5167.2177.5169.85111.2L116 H120 E138 L139 D142L116-R118 HydrophobicContact CB-CB 4.49Å; L116-R118 WeakPolarHBondContact O-CG 3.33Å; L116-R118 PolarHBondContact O-N 3.24Å; L116-R118 VanDerWaalsContact O-N 3.14Å; R118-H120 PolarHBondContact O-CE1 3.37Å; R118-H120 PolarHBondContact O-ND1 2.74Å; R118-E138 HydrophobicContact CB-CG 4.19Å; R118-E138 WeakPolarHBondContact CD-OE1 3.24Å; R118-E138 IonicContact CZ-OE1 3.6Å; R118-E138 IonicContact NE-OE1 3.6Å; R118-E138 IonicContact NH1-OE1 2.67Å; R118-E138 PolarHBondContact NH1-OE1 3.32Å; R118-L139 WeakPolarHBondContact CB-O 3.34Å; R118-L139 WeakPolarHBondContact CG-O 3.33Å; R118-D142 IonicContact CZ-OD1 3.58Å; R118-D142 IonicContact CZ-OD2 2.66Å; R118-D142 IonicContact NE-OD1 4Å; R118-D142 PolarHBondContact NE-OD1 2.8Å; R118-D142 IonicContact NE-OD2 2.8Å; R118-D142 IonicContact NH2-OD1 3.96Å; R118-D142 PolarHBondContact NH2-OD1 3.18Å; R118-D142 IonicContact NH2-OD2 3.5Å; R118-D142 PolarHBondContact NH2-OD2 2.86Å
119I95.4Very high94.4Very high43 Ų4348.1 Ų48.122%0.22125%0.247CC..EExtended strand (participates in β ladder)trans-77.9126.5178-56.2175.2000108.5V121 L139 R152 I289I119-V121 HydrophobicContact CG2-CG2 4.36Å; I119-L139 HydrophobicContact CB-CB 4.28Å; I119-L139 HydrophobicContact CB-CD1 4.25Å; I119-L139 HydrophobicContact CB-CG 4.48Å; I119-L139 HydrophobicContact CG2-CD1 4.04Å; I119-L139 PolarHBondContact O-N 3.37Å; I119-R152 HydrophobicContact CG2-CG 4.13Å; I119-I289 HydrophobicContact CG2-CG2 4.4Å
120H96Very high94.6Very high7 Ų755.4 Ų55.43%0.03228%0.281CS..EExtended strand (participates in β ladder)trans-111.9135177.3-64.887.1000110.3L113 R118 L136 L137 V290L113-H120 WeakPolarHBondContact CD2-NE2 3.5Å; R118-H120 PolarHBondContact O-CE1 3.37Å; R118-H120 PolarHBondContact O-ND1 2.74Å; H120-L136 HydrophobicContact CB-CD1 4.36Å; H120-L137 CarbonylContact C-O 3.39Å; H120-L137 WeakPolarHBondContact CA-O 3.37Å; H120-V290 HydrophobicContact CB-CB 3.93Å; H120-V290 HydrophobicContact CB-CG2 4.48Å; H120-V290 PolarHBondContact O-N 3.3Å
121V96.6Very high94.7Very high0 Ų062.9 Ų62.90%031%0.313CS..EExtended strand (participates in β ladder)trans-125.5121.8-177.4-176.50000109.6I119 L137 L139 C155 I287 I289I119-V121 HydrophobicContact CG2-CG2 4.36Å; V121-L137 HydrophobicContact CB-CB 4.25Å; V121-L137 PolarHBondContact N-O 2.79Å; V121-L137 WeakPolarHBondContact O-CB 3.25Å; V121-L137 PolarHBondContact O-N 3.2Å; V121-L139 HydrophobicContact CG2-CD1 3.99Å; V121-L139 HydrophobicContact CG2-CG 4.32Å; V121-C155 HydrophobicContact CG1-CB 4.2Å; V121-I287 HydrophobicContact CG1-CG2 3.47Å; V121-I287 VanDerWaalsContact CG1-CG2 3.47Å; V121-I289 HydrophobicContact CG2-CD1 3.8Å
122S96.1Very high94.9Very high4 Ų457.9 Ų57.93%0.02829%0.293CS..EExtended strand (participates in β ladder)trans-89129.3169.1175.20000109.5I134 L135 I287 S288S122-I134 WeakPolarHBondContact OG-CG2 3.46Å; S122-L135 WeakPolarHBondContact CA-O 3.19Å; S122-I287 CarbonylContact O-C 3.59Å; S122-I287 VanDerWaalsContact O-CA 3.31Å; S122-I287 WeakPolarHBondContact O-CA 3.43Å; S122-S288 PolarHBondContact N-O 3.17Å; S122-S288 PolarHBondContact O-N 2.48Å
123M97.6Very high95.1Very high0 Ų056.6 Ų56.60%030%0.295CS..EExtended strand (participates in β ladder)trans-124.6115.2180-171.3179.3-76.100110I125 I134 L135 L137 F151 F179 F238 I284 I287M123-I125 HydrophobicContact CG-CD1 3.71Å; M123-I125 HydrophobicContact SD-CD1 3.89Å; M123-I134 WeakPolarHBondContact O-CA 3.33Å; M123-L135 HydrophobicContact CB-CB 4.47Å; M123-L135 PolarHBondContact N-O 2.66Å; M123-L135 PolarHBondContact O-N 2.85Å; M123-L137 HydrophobicContact CE-CD1 4.18Å; M123-F151 HydrophobicContact CE-CZ 4.29Å; M123-F179 HydrophobicContact SD-CE2 4.38Å; M123-F179 HydrophobicContact SD-CZ 4.02Å; M123-F238 HydrophobicContact CE-CZ 4.28Å; M123-I284 HydrophobicContact CE-CD1 3.76Å; M123-I284 HydrophobicContact CE-CG1 4.42Å; M123-I284 HydrophobicContact CE-CG2 4.44Å; M123-I284 HydrophobicContact CG-CB 4.4Å; M123-I284 HydrophobicContact CG-CD1 4.46Å; M123-I284 HydrophobicContact CG-CG1 4.12Å; M123-I284 HydrophobicContact CG-CG2 3.55Å; M123-I284 HydrophobicContact SD-CB 4.47Å; M123-I284 HydrophobicContact SD-CD1 3.51Å; M123-I284 VanDerWaalsContact SD-CD1 3.51Å; M123-I284 HydrophobicContact SD-CG1 3.61Å; M123-I284 HydrophobicContact SD-CG2 4.07Å; M123-I287 HydrophobicContact CE-CD1 4.42Å; M123-I287 HydrophobicContact CG-CG1 4.46Å
124H98.1Very high95.3Very high68 Ų6858.8 Ų58.832%0.31531%0.307SS..EExtended strand (participates in β ladder)trans-84.9123.4178.4-71.6-108.2000110.2I134 E285 D286H124-I134 WeakPolarHBondContact CE1-CD1 3.39Å; H124-E285 HydrophobicContact CB-CB 4.42Å; H124-E285 PolarHBondContact O-N 3.16Å; H124-D286 HydrophobicContact CB-CB 4.09Å; H124-D286 PolarHBondContact N-O 3.13Å
125I98.5Very high95.6Very high3 Ų355.3 Ų55.32%0.01529%0.289CS..EExtended strand (participates in β ladder)trans-108.6138.1-175-53.8-56.8000110.6M123 C132 G133 L135 F179 T264 M268 I282 C283 I284M123-I125 HydrophobicContact CG-CD1 3.71Å; M123-I125 HydrophobicContact SD-CD1 3.89Å; I125-C132 HydrophobicContact CB-CB 4.34Å; I125-C132 HydrophobicContact CG2-CB 4.09Å; I125-C132 WeakPolarHBondContact O-CB 3.17Å; I125-C132 PolarHBondContact O-N 2.82Å; I125-G133 PolarHBondContact N-O 2.48Å; I125-G133 PolarHBondContact O-N 3.04Å; I125-L135 HydrophobicContact CD1-CD1 4.45Å; I125-L135 HydrophobicContact CG1-CD1 4.2Å; I125-L135 HydrophobicContact CG1-CG 4.14Å; I125-F179 HydrophobicContact CD1-CE2 3.83Å; I125-F179 HydrophobicContact CD1-CZ 4.49Å; I125-T264 HydrophobicContact CB-CG2 4.07Å; I125-T264 HydrophobicContact CG1-CG2 4.13Å; I125-M268 HydrophobicContact CD1-CE 4.39Å; I125-M268 HydrophobicContact CG1-CE 4.39Å; I125-M268 HydrophobicContact CG1-SD 4.15Å; I125-M268 HydrophobicContact CG2-CE 4.11Å; I125-M268 HydrophobicContact CG2-CG 4.02Å; I125-M268 HydrophobicContact CG2-SD 3.93Å; I125-I282 HydrophobicContact CG2-CG2 3.85Å; I125-C283 WeakPolarHBondContact CA-O 3.36Å; I125-I284 HydrophobicContact CD1-CG1 4.21Å
126S98.3Very high95.9Very high1 Ų147.5 Ų47.51%0.00725%0.252CS..EExtended strand (participates in β ladder)trans-118.9157.1165.373.70000111.6E130 I282 C283 E285S126-E130 CarbonylContact C-O 3.6Å; S126-E130 WeakPolarHBondContact CA-O 3.24Å; S126-E130 VanDerWaalsContact CB-O 3.27Å; S126-E130 WeakPolarHBondContact CB-O 3.28Å; S126-I282 WeakPolarHBondContact O-CA 3.29Å; S126-C283 PolarHBondContact N-O 3.22Å; S126-C283 PolarHBondContact O-N 3.45Å; S126-C283 WeakPolarHBondContact OG-CB 3.5Å; S126-E285 WeakPolarHBondContact CB-OE1 3.45Å; S126-E285 PolarHBondContact OG-OE1 2.8Å
127V98.4Very high96.4Very high23 Ų2345 Ų4514%0.13924%0.239CC..EExtended strand (participates in β ladder)trans-125.4117.8168.5178.20000107.3G129 E130 C132 V271 K280 D281 I282V127-G129 PolarHBondContact O-N 2.77Å; V127-E130 PolarHBondContact N-O 2.85Å; V127-E130 WeakPolarHBondContact O-CB 3.48Å; V127-E130 PolarHBondContact O-N 3.34Å; V127-C132 HydrophobicContact CG2-CB 3.95Å; V127-V271 HydrophobicContact CG1-CG2 4.02Å; V127-V271 HydrophobicContact CG2-CG2 4.35Å; V127-K280 HydrophobicContact CG1-CB 3.73Å; V127-K280 HydrophobicContact CG1-CD 3.8Å; V127-K280 HydrophobicContact CG1-CG 4.44Å; V127-D281 CarbonylContact C-O 3.45Å; V127-D281 VanDerWaalsContact CA-O 3.3Å; V127-D281 WeakPolarHBondContact CA-O 3.4Å; V127-I282 HydrophobicContact CG2-CG1 4.35Å
128D96.7Very high96.8Very high88 Ų8838.6 Ų38.647%0.47121%0.205SC..THydrogen-bonded Turntrans5135.2-170.8-72-19.2000113.4E130 K280 D281D128-E130 PolarHBondContact O-N 2.88Å; D128-K280 WeakPolarHBondContact OD1-CA 3.46Å; D128-K280 WeakPolarHBondContact OD1-CB 3.42Å; D128-K280 WeakPolarHBondContact OD2-CB 3.45Å; D128-K280 WeakPolarHBondContact OD2-CD 3.45Å; D128-K280 WeakPolarHBondContact OD2-CG 3.27Å; D128-D281 PolarHBondContact N-O 2.94Å; D128-D281 PolarHBondContact OD1-N 3.48Å
129G95.8Very high97Very high57 Ų5735.9 Ų35.959%0.58820%0.195SC*.THydrogen-bonded Turntrans79-6.8-178.300000114.7V127V127-G129 PolarHBondContact O-N 2.77Å
130E97.6Very high97.1Very high155 Ų15534.5 Ų34.572%0.72419%0.187SC*.EExtended strand (participates in β ladder)trans-79.8132.7170.4-63.6-171.5166.500110.2S126 V127 D128 C132S126-E130 CarbonylContact C-O 3.6Å; S126-E130 WeakPolarHBondContact CA-O 3.24Å; S126-E130 VanDerWaalsContact CB-O 3.27Å; S126-E130 WeakPolarHBondContact CB-O 3.28Å; V127-E130 PolarHBondContact N-O 2.85Å; V127-E130 WeakPolarHBondContact O-CB 3.48Å; V127-E130 PolarHBondContact O-N 3.34Å; D128-E130 PolarHBondContact O-N 2.88Å; E130-C132 PolarHBondContact O-N 2.68Å; E130-C132 VanDerWaalsContact O-N 3.11Å
131K96.8Very high97.1Very high203 Ų20335.6 Ų35.688%0.88320%0.195SC*.EExtended strand (participates in β ladder)trans-61.2116.9178.8-67.1-175.7-179.9-1790110.1
132C96.1Very high97.1Very high15 Ų1540.4 Ų40.410%0.10122%0.221CC..EExtended strand (participates in β ladder)trans-89.1-44.1-178.9-177.90000111.5I125 V127 E130 K267I125-C132 HydrophobicContact CB-CB 4.34Å; I125-C132 HydrophobicContact CG2-CB 4.09Å; I125-C132 WeakPolarHBondContact O-CB 3.17Å; I125-C132 PolarHBondContact O-N 2.82Å; V127-C132 HydrophobicContact CG2-CB 3.95Å; E130-C132 PolarHBondContact O-N 2.68Å; E130-C132 VanDerWaalsContact O-N 3.11Å; C132-K267 PolarHBondContact O-NZ 2.83Å; C132-K267 VanDerWaalsContact SG-CB 3.55Å
133G96.4Very high97.2Very high24 Ų2442.4 Ų42.425%0.24723%0.231CC..EExtended strand (participates in β ladder)trans159-162-179.200000112.2I125 T264I125-G133 PolarHBondContact N-O 2.48Å; I125-G133 PolarHBondContact O-N 3.04Å; G133-T264 WeakPolarHBondContact CA-OG1 3.4Å
134I96.8Very high97.2Very high48 Ų4842.4 Ų42.425%0.24623%0.231CC..EExtended strand (participates in β ladder)trans-124.5140.6-179.9-58.3172.8000107.7S122 M123 H124 G261 T264S122-I134 WeakPolarHBondContact OG-CG2 3.46Å; M123-I134 WeakPolarHBondContact O-CA 3.33Å; H124-I134 WeakPolarHBondContact CE1-CD1 3.39Å; I134-G261 VanDerWaalsContact O-CA 3.26Å; I134-G261 WeakPolarHBondContact O-CA 3.38Å; I134-T264 PolarHBondContact N-OG1 3.44Å; I134-T264 PolarHBondContact O-OG1 3.24Å; I134-T264 VanDerWaalsContact O-OG1 3.07Å
135L97.4Very high97.2Very high0 Ų042.4 Ų42.40%024%0.237CC..EExtended strand (participates in β ladder)trans-106.2128.2164.2-60.6177.6000108.3S122 M123 I125 L137 I240 V258 G261 T264 L265 M268S122-L135 WeakPolarHBondContact CA-O 3.19Å; M123-L135 HydrophobicContact CB-CB 4.47Å; M123-L135 PolarHBondContact N-O 2.66Å; M123-L135 PolarHBondContact O-N 2.85Å; I125-L135 HydrophobicContact CD1-CD1 4.45Å; I125-L135 HydrophobicContact CG1-CD1 4.2Å; I125-L135 HydrophobicContact CG1-CG 4.14Å; L135-L137 HydrophobicContact CB-CD2 4.04Å; L135-I240 HydrophobicContact CD1-CD1 3.97Å; L135-V258 HydrophobicContact CD2-CG1 4.14Å; L135-G261 WeakPolarHBondContact CD2-O 3.21Å; L135-T264 HydrophobicContact CD2-CG2 4Å; L135-T264 HydrophobicContact CG-CG2 4.22Å; L135-L265 HydrophobicContact CD2-CB 4.21Å; L135-M268 HydrophobicContact CD1-CE 4.33Å; L135-M268 HydrophobicContact CD1-SD 4Å
136L96.3Very high97.2Very high3 Ų347.2 Ų47.22%0.01626%0.255CS..EExtended strand (participates in β ladder)trans-100.1121.8167.5-174.362.1000108.9Y109 H120 V258 I259 E260 V290 I299Y109-L136 WeakPolarHBondContact OH-CD2 3.24Å; H120-L136 HydrophobicContact CB-CD1 4.36Å; L136-V258 WeakPolarHBondContact O-CA 3.35Å; L136-I259 HydrophobicContact CB-CG1 4.07Å; L136-I259 HydrophobicContact CD2-CD1 3.62Å; L136-I259 HydrophobicContact CD2-CG1 3.87Å; L136-I259 HydrophobicContact CG-CD1 3.86Å; L136-I259 HydrophobicContact CG-CG1 3.75Å; L136-I259 WeakPolarHBondContact O-CG1 3.3Å; L136-I259 PolarHBondContact O-N 2.61Å; L136-E260 HydrophobicContact CB-CB 3.79Å; L136-E260 HydrophobicContact CB-CG 4.27Å; L136-E260 HydrophobicContact CD2-CB 4.45Å; L136-E260 HydrophobicContact CD2-CG 4.03Å; L136-E260 PolarHBondContact N-O 3.4Å; L136-E260 PolarHBondContact O-N 3.17Å; L136-V290 HydrophobicContact CD1-CB 4.49Å; L136-V290 HydrophobicContact CD1-CG2 3.6Å; L136-I299 HydrophobicContact CD2-CG2 4.22Å
137L97.5Very high97.2Very high0 Ų047.2 Ų47.20%025%0.254CS..EExtended strand (participates in β ladder)trans-108.4135.4-175.3-51.8-174.8000109.5H120 V121 M123 L135 F151 L224 S257 V258H120-L137 CarbonylContact C-O 3.39Å; H120-L137 WeakPolarHBondContact CA-O 3.37Å; V121-L137 HydrophobicContact CB-CB 4.25Å; V121-L137 PolarHBondContact N-O 2.79Å; V121-L137 WeakPolarHBondContact O-CB 3.25Å; V121-L137 PolarHBondContact O-N 3.2Å; M123-L137 HydrophobicContact CE-CD1 4.18Å; L135-L137 HydrophobicContact CB-CD2 4.04Å; L137-F151 HydrophobicContact CD1-CE1 4.04Å; L137-F151 HydrophobicContact CD1-CZ 3.98Å; L137-L224 HydrophobicContact CB-CD1 3.95Å; L137-L224 HydrophobicContact CD1-CD1 4.01Å; L137-L224 HydrophobicContact CD1-CD2 4.44Å; L137-L224 HydrophobicContact CD2-CD1 4.2Å; L137-L224 HydrophobicContact CD2-CD2 4.2Å; L137-L224 HydrophobicContact CG-CD1 4.27Å; L137-S257 CarbonylContact C-O 3.58Å; L137-S257 WeakPolarHBondContact CA-O 3.27Å; L137-V258 HydrophobicContact CD2-CB 4.25Å; L137-V258 HydrophobicContact CD2-CG1 4.35Å; L137-V258 HydrophobicContact CD2-CG2 3.69Å
138E96.9Very high97.2Very high12 Ų1246.1 Ų46.16%0.05625%0.248CC..EExtended strand (participates in β ladder)trans-102.1127.5166.6-179.2-171.4-173.800108.7L116 R118 Y140 G256 S257 I259L116-E138 WeakPolarHBondContact CD1-OE1 3.19Å; R118-E138 HydrophobicContact CB-CG 4.19Å; R118-E138 WeakPolarHBondContact CD-OE1 3.24Å; R118-E138 IonicContact CZ-OE1 3.6Å; R118-E138 IonicContact NE-OE1 3.6Å; R118-E138 IonicContact NH1-OE1 2.67Å; R118-E138 PolarHBondContact NH1-OE1 3.32Å; E138-Y140 HydrophobicContact CG-CD1 4.35Å; E138-Y140 HydrophobicContact CG-CE1 4.23Å; E138-G256 CarbonylContact O-C 3.5Å; E138-G256 WeakPolarHBondContact O-CA 3.49Å; E138-S257 PolarHBondContact N-O 3.21Å; E138-S257 PolarHBondContact O-N 2.72Å; E138-I259 HydrophobicContact CB-CD1 4.47Å; E138-I259 HydrophobicContact CB-CG2 3.73Å
139L98.2Very high97.3Very high0 Ų044.9 Ų44.90%024%0.24CC..EExtended strand (participates in β ladder)trans-100.9129.3175.3-51.2-174.5000109.9R118 I119 V121 S141 C148 F151 R152 L224 F255R118-L139 WeakPolarHBondContact CB-O 3.34Å; R118-L139 WeakPolarHBondContact CG-O 3.33Å; I119-L139 HydrophobicContact CB-CB 4.28Å; I119-L139 HydrophobicContact CB-CD1 4.25Å; I119-L139 HydrophobicContact CB-CG 4.48Å; I119-L139 HydrophobicContact CG2-CD1 4.04Å; I119-L139 PolarHBondContact O-N 3.37Å; V121-L139 HydrophobicContact CG2-CD1 3.99Å; V121-L139 HydrophobicContact CG2-CG 4.32Å; L139-S141 PolarHBondContact O-N 3.31Å; L139-C148 HydrophobicContact CB-CB 4.13Å; L139-F151 HydrophobicContact CD1-CD1 3.92Å; L139-F151 HydrophobicContact CD2-CD1 3.78Å; L139-F151 HydrophobicContact CD2-CE1 4.02Å; L139-R152 HydrophobicContact CD1-CB 4.24Å; L139-L224 HydrophobicContact CD2-CD1 3.98Å; L139-F255 HydrophobicContact CD2-CD2 4.12Å; L139-F255 HydrophobicContact CD2-CE2 4Å
140Y97.7Very high97.4Very high13 Ų1342.2 Ų42.25%0.05121%0.212CC..  trans-80.157.7-179-55.4-31.9000111.9E138 D142 I143 V144 I216 R220 F255 G256 S257E138-Y140 HydrophobicContact CG-CD1 4.35Å; E138-Y140 HydrophobicContact CG-CE1 4.23Å; Y140-D142 PolarHBondContact O-N 3.46Å; Y140-D142 VanDerWaalsContact O-N 3.14Å; Y140-I143 PolarHBondContact O-N 2.8Å; Y140-V144 PolarHBondContact O-N 2.66Å; Y140-I216 HydrophobicContact CD2-CD1 3.48Å; Y140-I216 VanDerWaalsContact CD2-CD1 3.48Å; Y140-I216 HydrophobicContact CD2-CG1 3.83Å; Y140-I216 HydrophobicContact CD2-CG2 4.19Å; Y140-I216 HydrophobicContact CE2-CD1 4.31Å; Y140-I216 HydrophobicContact CE2-CG1 4.2Å; Y140-I216 HydrophobicContact CE2-CG2 3.84Å; Y140-I216 HydrophobicContact CG-CD1 4.25Å; Y140-R220 PolarHBondContact OH-NH2 2.76Å; Y140-F255 PolarHBondContact N-O 3.11Å; Y140-G256 VanDerWaalsContact CD2-CA 3.48Å; Y140-S257 WeakPolarHBondContact OH-CB 3.32Å; Y140-S257 PolarHBondContact OH-OG 2.89Å
141S96Very high97.5Very high30 Ų3034.8 Ų34.821%0.2118%0.177CC..THydrogen-bonded Turntrans-64.7-15.5-174.651.90000114.1L139 P145 C148L139-S141 PolarHBondContact O-N 3.31Å; S141-P145 WeakPolarHBondContact O-CA 3.44Å; S141-P145 VanDerWaalsContact O-CB 3.28Å; S141-P145 WeakPolarHBondContact O-CB 3.37Å; S141-C148 PolarHBondContact N-SG 3.43Å; S141-C148 VanDerWaalsContact N-SG 3.45Å
142D96Very high97.5Very high101 Ų10127.1 Ų27.154%0.5414%0.143SC..THydrogen-bonded Turntrans-78.5-23.1170.957.3-47.3000113.4R118 Y140R118-D142 IonicContact CZ-OD1 3.58Å; R118-D142 IonicContact CZ-OD2 2.66Å; R118-D142 IonicContact NE-OD1 4Å; R118-D142 PolarHBondContact NE-OD1 2.8Å; R118-D142 IonicContact NE-OD2 2.8Å; R118-D142 IonicContact NH2-OD1 3.96Å; R118-D142 PolarHBondContact NH2-OD1 3.18Å; R118-D142 IonicContact NH2-OD2 3.5Å; R118-D142 PolarHBondContact NH2-OD2 2.86Å; Y140-D142 PolarHBondContact O-N 3.46Å; Y140-D142 VanDerWaalsContact O-N 3.14Å
143I97.3Very high97.6Very high47 Ų4726.4 Ų26.424%0.24114%0.138CC..THydrogen-bonded Turntrans-105.2-42.6-176.2-54.7176.2000111.5Y140 N213 I215 I216Y140-I143 PolarHBondContact O-N 2.8Å; I143-N213 PolarHBondContact O-ND2 3Å; I143-I215 HydrophobicContact CG2-CB 4.28Å; I143-I215 HydrophobicContact CG2-CD1 4.25Å; I143-I215 HydrophobicContact CG2-CG2 4.48Å; I143-I216 HydrophobicContact CB-CD1 4.05Å; I143-I216 HydrophobicContact CD1-CD1 4.06Å; I143-I216 HydrophobicContact CD1-CG1 4.1Å; I143-I216 HydrophobicContact CG2-CD1 3.69Å; I143-I216 HydrophobicContact CG2-CG1 4.32Å
144V98Very high97.7Very high0 Ų025.3 Ų25.30%013%0.126CC..  trans-132.861.5-179.3-72.80000111.4Y140 R146 T147 C148 E212 N213 I216 V253 F255Y140-V144 PolarHBondContact O-N 2.66Å; V144-R146 VanDerWaalsContact C-N 3.26Å; V144-R146 PolarHBondContact O-N 3.49Å; V144-T147 PolarHBondContact O-N 3.18Å; V144-T147 VanDerWaalsContact O-N 3.17Å; V144-C148 PolarHBondContact O-N 2.73Å; V144-C148 PolarHBondContact O-SG 2.72Å; V144-E212 VanDerWaalsContact C-CD 3.49Å; V144-E212 VanDerWaalsContact CA-CD 3.4Å; V144-E212 WeakPolarHBondContact CA-OE2 3.41Å; V144-E212 HydrophobicContact CB-CB 4.5Å; V144-E212 HydrophobicContact CB-CG 4.31Å; V144-E212 WeakPolarHBondContact CB-OE2 2.91Å; V144-E212 HydrophobicContact CG1-CB 4.11Å; V144-E212 HydrophobicContact CG1-CG 4.08Å; V144-N213 VanDerWaalsContact CG1-ND2 3.34Å; V144-N213 WeakPolarHBondContact CG1-ND2 3.29Å; V144-I216 HydrophobicContact CG2-CD1 4.38Å; V144-V253 HydrophobicContact CG1-CG1 4.2Å; V144-F255 HydrophobicContact CG2-CB 3.64Å
145P97.9Very high97.8Very high67 Ų6723.2 Ų23.244%0.43512%0.116SC..Hα-helixtrans-53.8-38.8-174.618.8-32.4000113.6S141 E149 E212S141-P145 WeakPolarHBondContact O-CA 3.44Å; S141-P145 VanDerWaalsContact O-CB 3.28Å; S141-P145 WeakPolarHBondContact O-CB 3.37Å; P145-E149 VanDerWaalsContact O-CB 3.25Å; P145-E149 WeakPolarHBondContact O-CB 3.49Å; P145-E149 PolarHBondContact O-N 2.74Å; P145-E212 WeakPolarHBondContact CD-OE1 3.47Å; P145-E212 WeakPolarHBondContact CG-OE1 3.02Å
146R98.3Very high97.8Very high105 Ų10525.7 Ų25.740%0.39613%0.131SC..Hα-helixtrans-70.8-39.9-177.4-172.5178.8177.6-178.1-2.1111.4V144 N150 Y205 E212V144-R146 VanDerWaalsContact C-N 3.26Å; V144-R146 PolarHBondContact O-N 3.49Å; R146-N150 PolarHBondContact O-N 2.78Å; R146-N150 VanDerWaalsContact O-N 3.12Å; R146-Y205 HydrophobicContact CG-CD2 4.37Å; R146-Y205 HydrophobicContact CG-CE2 3.51Å; R146-Y205 PolarHBondContact O-OH 3.39Å; R146-E212 WeakPolarHBondContact CB-OE2 3.5Å; R146-E212 PolarHBondContact N-OE1 3.45Å; R146-E212 VanDerWaalsContact N-OE1 3.08Å; R146-E212 PolarHBondContact N-OE2 3.16Å
147T98.6Very high97.9Very high0 Ų026.2 Ų26.20%014%0.137CC..Hα-helixtrans-67.7-45176.8-520000110.9V144 E149 N150 F151 F209 E212 M226 V253 F255V144-T147 PolarHBondContact O-N 3.18Å; V144-T147 VanDerWaalsContact O-N 3.17Å; T147-E149 VanDerWaalsContact C-N 3.34Å; T147-E149 PolarHBondContact O-N 3.14Å; T147-N150 PolarHBondContact O-N 3.46Å; T147-F151 PolarHBondContact O-N 3.14Å; T147-F151 VanDerWaalsContact O-N 3.16Å; T147-F209 HydrophobicContact CG2-CE2 4.35Å; T147-F209 HydrophobicContact CG2-CZ 4.17Å; T147-E212 WeakPolarHBondContact CB-OE2 3.46Å; T147-E212 PolarHBondContact N-OE2 2.96Å; T147-E212 PolarHBondContact OG1-OE2 2.99Å; T147-M226 HydrophobicContact CG2-CG 3.53Å; T147-M226 HydrophobicContact CG2-SD 3.88Å; T147-V253 HydrophobicContact CG2-CG1 4.04Å; T147-F255 HydrophobicContact CG2-CB 3.6Å; T147-F255 HydrophobicContact CG2-CD1 3.95Å; T147-F255 HydrophobicContact CG2-CG 3.88Å
148C98.6Very high97.9Very high1 Ų131 Ų311%0.00716%0.16CC..Hα-helixtrans-62.6-40.1176.3-66.40000112.2L139 S141 V144 F151 R152 F255L139-C148 HydrophobicContact CB-CB 4.13Å; S141-C148 PolarHBondContact N-SG 3.43Å; S141-C148 VanDerWaalsContact N-SG 3.45Å; V144-C148 PolarHBondContact O-N 2.73Å; V144-C148 PolarHBondContact O-SG 2.72Å; C148-F151 PolarHBondContact O-N 2.86Å; C148-R152 WeakPolarHBondContact O-CB 3.35Å; C148-R152 PolarHBondContact O-N 2.8Å; C148-F255 PolarHBondContact SG-O 3.23Å; C148-F255 VanDerWaalsContact SG-O 3.33Å
149E98.5Very high97.9Very high62 Ų6235.3 Ų35.329%0.2918%0.176SC..Hα-helixtrans-65.7-41.9178.5-179.861.1-174.400111.6P145 T147 F151 R152 S153 I204P145-E149 VanDerWaalsContact O-CB 3.25Å; P145-E149 WeakPolarHBondContact O-CB 3.49Å; P145-E149 PolarHBondContact O-N 2.74Å; T147-E149 VanDerWaalsContact C-N 3.34Å; T147-E149 PolarHBondContact O-N 3.14Å; E149-F151 VanDerWaalsContact C-N 3.32Å; E149-F151 PolarHBondContact O-N 3.45Å; E149-R152 PolarHBondContact O-N 2.97Å; E149-R152 IonicContact OE1-CZ 2.72Å; E149-R152 IonicContact OE1-NE 3.59Å; E149-R152 IonicContact OE1-NH2 3.69Å; E149-R152 PolarHBondContact OE1-NH2 3.28Å; E149-R152 IonicContact OE2-CZ 3.46Å; E149-R152 IonicContact OE2-NE 3.88Å; E149-R152 PolarHBondContact OE2-NE 3.31Å; E149-R152 IonicContact OE2-NH2 3.6Å; E149-R152 PolarHBondContact OE2-NH2 3.2Å; E149-S153 VanDerWaalsContact O-CB 3.31Å; E149-S153 WeakPolarHBondContact O-CB 3.45Å; E149-S153 PolarHBondContact O-N 3Å; E149-S153 PolarHBondContact O-OG 3.21Å; E149-S153 VanDerWaalsContact O-OG 3.04Å; E149-S153 PolarHBondContact OE1-OG 2.88Å; E149-I204 HydrophobicContact CG-CD1 4.16Å
150N98.6Very high97.7Very high0 Ų036.9 Ų36.90%019%0.193CC..Hα-helixtrans-54.7-48.2172.1177.971.9000112.2R146 T147 L154 S203 I204 Y205 F209 G235R146-N150 PolarHBondContact O-N 2.78Å; R146-N150 VanDerWaalsContact O-N 3.12Å; T147-N150 PolarHBondContact O-N 3.46Å; N150-L154 WeakPolarHBondContact O-CG 3.18Å; N150-L154 PolarHBondContact O-N 2.96Å; N150-S203 VanDerWaalsContact OD1-CA 3.22Å; N150-S203 WeakPolarHBondContact OD1-CA 3.39Å; N150-S203 VanDerWaalsContact OD1-CB 3.27Å; N150-S203 WeakPolarHBondContact OD1-CB 2.98Å; N150-I204 HydrophobicContact CB-CG1 4.28Å; N150-I204 PolarHBondContact OD1-N 2.92Å; N150-Y205 HydrophobicContact CB-CE2 3.95Å; N150-F209 HydrophobicContact CB-CE1 4.23Å; N150-F209 HydrophobicContact CB-CZ 4.29Å; N150-F209 WeakPolarHBondContact ND2-CE1 3.2Å; N150-G235 PolarHBondContact ND2-O 2.96Å
151F98.7Very high97.7Very high0 Ų040.9 Ų40.90%022%0.218CC..Hα-helixtrans-65.9-47.6179.3-173.1-92.3000111.9M123 L137 L139 T147 C148 E149 S153 L154 C155 Y174 F238 F255M123-F151 HydrophobicContact CE-CZ 4.29Å; L137-F151 HydrophobicContact CD1-CE1 4.04Å; L137-F151 HydrophobicContact CD1-CZ 3.98Å; L139-F151 HydrophobicContact CD1-CD1 3.92Å; L139-F151 HydrophobicContact CD2-CD1 3.78Å; L139-F151 HydrophobicContact CD2-CE1 4.02Å; T147-F151 PolarHBondContact O-N 3.14Å; T147-F151 VanDerWaalsContact O-N 3.16Å; C148-F151 PolarHBondContact O-N 2.86Å; E149-F151 VanDerWaalsContact C-N 3.32Å; E149-F151 PolarHBondContact O-N 3.45Å; F151-S153 PolarHBondContact O-N 2.88Å; F151-L154 CarbonylContact O-C 3.54Å; F151-L154 PolarHBondContact O-N 2.87Å; F151-C155 WeakPolarHBondContact CE1-SG 3.3Å; F151-C155 PolarHBondContact O-N 2.9Å; F151-C155 PolarHBondContact O-SG 2.86Å; F151-C155 VanDerWaalsContact O-SG 3.33Å; F151-Y174 AromaticContact CD2-CE2 3.54Å; F151-Y174 HydrophobicContact CD2-CE2 3.54Å; F151-Y174 AromaticContact CD2-CZ 3.95Å; F151-Y174 HydrophobicContact CE2-CD2 4.34Å; F151-Y174 AromaticContact CE2-CE2 3.59Å; F151-Y174 HydrophobicContact CE2-CE2 3.59Å; F151-Y174 HydrophobicContact CG-CE2 4.1Å; F151-Y174 HydrophobicContact CZ-CE2 4.19Å; F151-F238 HydrophobicContact CD2-CD1 4.34Å; F151-F238 HydrophobicContact CD2-CG 4.38Å; F151-F238 HydrophobicContact CE2-CB 4.3Å; F151-F238 AromaticContact CE2-CD1 3.67Å; F151-F238 HydrophobicContact CE2-CD1 3.67Å; F151-F238 AromaticContact CE2-CD2 3.94Å; F151-F238 HydrophobicContact CE2-CD2 3.94Å; F151-F238 AromaticContact CE2-CE1 3.87Å; F151-F238 HydrophobicContact CE2-CE1 3.87Å; F151-F238 HydrophobicContact CE2-CE2 4.13Å; F151-F238 AromaticContact CE2-CG 3.7Å; F151-F238 HydrophobicContact CE2-CG 3.7Å; F151-F238 HydrophobicContact CE2-CZ 4.1Å; F151-F238 HydrophobicContact CZ-CE2 4.43Å; F151-F238 HydrophobicContact CZ-CZ 4.41Å; F151-F255 HydrophobicContact CB-CD2 4.44Å; F151-F255 HydrophobicContact CB-CE2 3.85Å; F151-F255 HydrophobicContact CB-CZ 4.3Å; F151-F255 AromaticContact CD1-CE2 3.95Å; F151-F255 HydrophobicContact CD1-CE2 3.95Å; F151-F255 AromaticContact CD2-CE2 3.61Å; F151-F255 HydrophobicContact CD2-CE2 3.61Å; F151-F255 AromaticContact CD2-CZ 3.43Å; F151-F255 HydrophobicContact CD2-CZ 3.43Å; F151-F255 VanDerWaalsContact CD2-CZ 3.43Å; F151-F255 HydrophobicContact CE1-CE2 4.39Å; F151-F255 HydrophobicContact CE2-CE2 4.1Å; F151-F255 AromaticContact CE2-CZ 3.81Å; F151-F255 HydrophobicContact CE2-CZ 3.81Å; F151-F255 HydrophobicContact CG-CD2 4.5Å; F151-F255 AromaticContact CG-CE2 3.52Å; F151-F255 HydrophobicContact CG-CE2 3.52Å; F151-F255 AromaticContact CG-CZ 3.86Å; F151-F255 HydrophobicContact CG-CZ 3.86Å; F151-F255 HydrophobicContact CZ-CE2 4.47Å
152R98.3Very high97.7Very high42 Ų4241.5 Ų41.516%0.15822%0.219CC..Hα-helixtrans-59.1-44.1178.8-175.1-15367.975.1-3.6112I119 L139 C148 E149 L154 C155 T156 E158 I289I119-R152 HydrophobicContact CG2-CG 4.13Å; L139-R152 HydrophobicContact CD1-CB 4.24Å; C148-R152 WeakPolarHBondContact O-CB 3.35Å; C148-R152 PolarHBondContact O-N 2.8Å; E149-R152 PolarHBondContact O-N 2.97Å; E149-R152 IonicContact OE1-CZ 2.72Å; E149-R152 IonicContact OE1-NE 3.59Å; E149-R152 IonicContact OE1-NH2 3.69Å; E149-R152 PolarHBondContact OE1-NH2 3.28Å; E149-R152 IonicContact OE2-CZ 3.46Å; E149-R152 IonicContact OE2-NE 3.88Å; E149-R152 PolarHBondContact OE2-NE 3.31Å; E149-R152 IonicContact OE2-NH2 3.6Å; E149-R152 PolarHBondContact OE2-NH2 3.2Å; R152-L154 VanDerWaalsContact C-N 3.3Å; R152-L154 PolarHBondContact O-N 2.91Å; R152-C155 VanDerWaalsContact O-CB 3.28Å; R152-C155 WeakPolarHBondContact O-CB 3.26Å; R152-C155 PolarHBondContact O-N 3.49Å; R152-C155 VanDerWaalsContact O-N 3.11Å; R152-T156 PolarHBondContact O-N 2.86Å; R152-T156 PolarHBondContact O-OG1 2.92Å; R152-E158 IonicContact CZ-OE1 2.66Å; R152-E158 IonicContact CZ-OE2 3.21Å; R152-E158 IonicContact NH1-OE1 2.7Å; R152-E158 IonicContact NH1-OE2 3.5Å; R152-E158 PolarHBondContact NH1-OE2 2.95Å; R152-E158 VanDerWaalsContact NH2-CD 3.32Å; R152-E158 IonicContact NH2-OE1 3.64Å; R152-E158 PolarHBondContact NH2-OE1 3.41Å; R152-E158 IonicContact NH2-OE2 3.19Å; R152-E158 PolarHBondContact NH2-OE2 2.83Å; R152-I289 HydrophobicContact CG-CD1 3.87Å
153S98.5Very high97.7Very high0 Ų044.4 Ų44.40%023%0.226CC..Hα-helixtrans-64.2-36.5178.4-67.20000112.2E149 F151 T156 G157 E158E149-S153 VanDerWaalsContact O-CB 3.31Å; E149-S153 WeakPolarHBondContact O-CB 3.45Å; E149-S153 PolarHBondContact O-N 3Å; E149-S153 PolarHBondContact O-OG 3.21Å; E149-S153 VanDerWaalsContact O-OG 3.04Å; E149-S153 PolarHBondContact OE1-OG 2.88Å; F151-S153 PolarHBondContact O-N 2.88Å; S153-T156 PolarHBondContact O-N 3.06Å; S153-T156 PolarHBondContact O-OG1 2.77Å; S153-T156 VanDerWaalsContact O-OG1 3.05Å; S153-G157 PolarHBondContact O-N 2.89Å; S153-E158 WeakPolarHBondContact CB-OE1 3.44Å; S153-E158 PolarHBondContact OG-OE1 2.83Å
154L98.4Very high97.5Very high0 Ų045.5 Ų45.50%023%0.229CC..Hα-helixtrans-72.7-27.2172.2-70169000112.5N150 F151 R152 M172 N173 Y174 I193 I204N150-L154 WeakPolarHBondContact O-CG 3.18Å; N150-L154 PolarHBondContact O-N 2.96Å; F151-L154 CarbonylContact O-C 3.54Å; F151-L154 PolarHBondContact O-N 2.87Å; R152-L154 VanDerWaalsContact C-N 3.3Å; R152-L154 PolarHBondContact O-N 2.91Å; L154-M172 HydrophobicContact CD2-CB 4.18Å; L154-M172 HydrophobicContact CD2-CE 3.86Å; L154-N173 CarbonylContact O-C 3.47Å; L154-N173 WeakPolarHBondContact O-CA 3.3Å; L154-N173 PolarHBondContact O-OD1 2.95Å; L154-Y174 HydrophobicContact CB-CD1 4.36Å; L154-Y174 HydrophobicContact CB-CD2 3.66Å; L154-Y174 HydrophobicContact CB-CE1 4.06Å; L154-Y174 HydrophobicContact CB-CE2 3.32Å; L154-Y174 HydrophobicContact CB-CG 4.18Å; L154-Y174 HydrophobicContact CD1-CE1 4.04Å; L154-Y174 HydrophobicContact CD1-CE2 4.2Å; L154-Y174 VanDerWaalsContact CD1-OH 3.29Å; L154-Y174 WeakPolarHBondContact CD1-OH 3.48Å; L154-Y174 HydrophobicContact CG-CE2 4.4Å; L154-Y174 PolarHBondContact O-N 2.69Å; L154-I193 HydrophobicContact CD2-CD1 4.02Å; L154-I204 HydrophobicContact CG-CG2 4.26Å
155C98.3Very high97.3Very high4 Ų448.9 Ų48.93%0.02725%0.247CC..Hα-helixtrans-66.5-42.4169.4-740000112.3V121 F151 R152 I287 I289V121-C155 HydrophobicContact CG1-CB 4.2Å; F151-C155 WeakPolarHBondContact CE1-SG 3.3Å; F151-C155 PolarHBondContact O-N 2.9Å; F151-C155 PolarHBondContact O-SG 2.86Å; F151-C155 VanDerWaalsContact O-SG 3.33Å; R152-C155 VanDerWaalsContact O-CB 3.28Å; R152-C155 WeakPolarHBondContact O-CB 3.26Å; R152-C155 PolarHBondContact O-N 3.49Å; R152-C155 VanDerWaalsContact O-N 3.11Å; C155-I287 HydrophobicContact CB-CG2 3.66Å; C155-I289 HydrophobicContact CB-CD1 4.42Å
156T97.4Very high97.1Very high53 Ų5354.9 Ų54.933%0.32527%0.27SS..Hα-helixtrans-81.1-29.6-177.757.80000113.3R152 S153 E158 I289R152-T156 PolarHBondContact O-N 2.86Å; R152-T156 PolarHBondContact O-OG1 2.92Å; S153-T156 PolarHBondContact O-N 3.06Å; S153-T156 PolarHBondContact O-OG1 2.77Å; S153-T156 VanDerWaalsContact O-OG1 3.05Å; T156-E158 VanDerWaalsContact C-N 3.3Å; T156-I289 HydrophobicContact CG2-CD1 3.96Å; T156-I289 HydrophobicContact CG2-CG1 3.65Å
157G97.5Very high96.9Very high14 Ų1455.8 Ų55.814%0.14429%0.286CS..THydrogen-bonded Turntrans77.114-175.200000114.8S153 Y159 G160 M172 N173S153-G157 PolarHBondContact O-N 2.89Å; G157-Y159 PolarHBondContact O-N 2.98Å; G157-Y159 VanDerWaalsContact O-N 3.13Å; G157-G160 PolarHBondContact O-N 3.28Å; G157-M172 WeakPolarHBondContact CA-O 3.35Å; G157-N173 WeakPolarHBondContact CA-ND2 3.32Å
158E97.6Very high96.7Very high101 Ų10158.5 Ų58.547%0.47230%0.299SS..THydrogen-bonded Turntrans-62.8-21.5-172.770.3-164.4171.900113.8R152 S153 T156 G160R152-E158 IonicContact CZ-OE1 2.66Å; R152-E158 IonicContact CZ-OE2 3.21Å; R152-E158 IonicContact NH1-OE1 2.7Å; R152-E158 IonicContact NH1-OE2 3.5Å; R152-E158 PolarHBondContact NH1-OE2 2.95Å; R152-E158 VanDerWaalsContact NH2-CD 3.32Å; R152-E158 IonicContact NH2-OE1 3.64Å; R152-E158 PolarHBondContact NH2-OE1 3.41Å; R152-E158 IonicContact NH2-OE2 3.19Å; R152-E158 PolarHBondContact NH2-OE2 2.83Å; S153-E158 WeakPolarHBondContact CB-OE1 3.44Å; S153-E158 PolarHBondContact OG-OE1 2.83Å; T156-E158 VanDerWaalsContact C-N 3.3Å; E158-G160 VanDerWaalsContact C-N 3.28Å; E158-G160 PolarHBondContact O-N 2.84Å
159Y96.8Very high96.5Very high101 Ų10164.1 Ų64.140%0.39632%0.323SS..THydrogen-bonded Turntrans-81.6-3.5174.9-76.3-96000113.8G157 V161 I204G157-Y159 PolarHBondContact O-N 2.98Å; G157-Y159 VanDerWaalsContact O-N 3.13Å; Y159-V161 PolarHBondContact O-N 3.09Å; Y159-I204 HydrophobicContact CD1-CB 4.44Å; Y159-I204 HydrophobicContact CD2-CB 4.18Å; Y159-I204 HydrophobicContact CD2-CG2 3.82Å; Y159-I204 HydrophobicContact CE1-CB 4.22Å; Y159-I204 HydrophobicContact CE2-CB 3.95Å; Y159-I204 HydrophobicContact CE2-CD1 3.97Å; Y159-I204 HydrophobicContact CE2-CG2 3.96Å; Y159-I204 HydrophobicContact CG-CB 4.42Å; Y159-I204 HydrophobicContact CG-CG2 4.23Å
160G95.8Very high96.4Very high34 Ų3462 Ų6235%0.35131%0.313SS..  trans60.9-122.2172.100000113.7G157 E158 M172G157-G160 PolarHBondContact O-N 3.28Å; E158-G160 VanDerWaalsContact C-N 3.28Å; E158-G160 PolarHBondContact O-N 2.84Å; G160-M172 WeakPolarHBondContact O-CB 3.35Å; G160-M172 PolarHBondContact O-N 3.47Å
161V96.7Very high96.3Very high97 Ų9767.4 Ų67.459%0.58834%0.337SS*.EExtended strand (participates in β ladder)trans-120.6126.4-174.7179.40000110.1Y159 K169 Y170Y159-V161 PolarHBondContact O-N 3.09Å; V161-K169 HydrophobicContact CG1-CB 3.59Å; V161-K169 HydrophobicContact CG1-CD 3.87Å; V161-K169 HydrophobicContact CG1-CG 4.25Å; V161-Y170 CarbonylContact C-O 3.59Å; V161-Y170 VanDerWaalsContact CA-O 3.29Å; V161-Y170 WeakPolarHBondContact CA-O 3.41Å
162I96.2Very high96.2Very high43 Ų4367.4 Ų67.422%0.22134%0.337CS..EExtended strand (participates in β ladder)trans-116.8134.2-179.9-61.5-178.4000109.6K164 K169 Y170 M172I162-K164 PolarHBondContact O-N 3.1Å; I162-K169 CarbonylContact O-C 3.58Å; I162-K169 VanDerWaalsContact O-CA 3.3Å; I162-K169 WeakPolarHBondContact O-CA 3.32Å; I162-Y170 PolarHBondContact N-O 2.9Å; I162-Y170 PolarHBondContact O-N 3.08Å; I162-M172 HydrophobicContact CB-CG 4.25Å; I162-M172 HydrophobicContact CB-SD 4.41Å; I162-M172 HydrophobicContact CD1-CE 4.04Å; I162-M172 HydrophobicContact CD1-CG 3.6Å; I162-M172 HydrophobicContact CD1-SD 3.84Å; I162-M172 HydrophobicContact CG1-CG 3.69Å; I162-M172 HydrophobicContact CG1-SD 4.27Å
163K95.1Very high96.2Very high161 Ų16166.9 Ų66.970%0.734%0.337SS*.EExtended strand (participates in β ladder)trans-68.2131176.1-67.3-176.3-180-178.70110.8
164K93.9Very high96.2Very high70 Ų7066.9 Ų66.930%0.30434%0.337SS..SBendtrans-87.6-47.3166.1-179.4180176.6-171.90110.1I162 E168 Y170 L194 Y195 D200I162-K164 PolarHBondContact O-N 3.1Å; K164-E168 HydrophobicContact CB-CB 4.14Å; K164-E168 WeakPolarHBondContact CB-O 3.18Å; K164-E168 HydrophobicContact CD-CB 4.24Å; K164-E168 PolarHBondContact N-O 3Å; K164-E168 IonicContact NZ-OE2 3.88Å; K164-Y170 HydrophobicContact CB-CD2 3.96Å; K164-Y170 HydrophobicContact CB-CE2 3.44Å; K164-Y170 VanDerWaalsContact CB-CE2 3.44Å; K164-Y170 HydrophobicContact CD-CE1 4.32Å; K164-Y170 HydrophobicContact CD-CE2 4.2Å; K164-Y170 WeakPolarHBondContact CD-OH 3.42Å; K164-Y170 HydrophobicContact CG-CE2 3.73Å; K164-Y170 WeakPolarHBondContact CG-OH 3.32Å; K164-L194 HydrophobicContact CD-CD2 3.57Å; K164-Y195 PolarHBondContact NZ-OH 3.24Å; K164-Y195 VanDerWaalsContact NZ-OH 3.13Å; K164-D200 VanDerWaalsContact CE-OD2 3.31Å; K164-D200 WeakPolarHBondContact CE-OD2 3.37Å; K164-D200 IonicContact NZ-OD2 3.64Å; K164-D200 PolarHBondContact NZ-OD2 2.81Å
165N93.9Very high96.2Very high71 Ų7171 Ų7138%0.3836%0.355SS..SBendtrans-150.5-163.4174.55750.6000109.2V167 E168N165-V167 PolarHBondContact O-N 2.96Å; N165-V167 PolarHBondContact OD1-N 3.32Å; N165-E168 PolarHBondContact N-O 3.36Å; N165-E168 PolarHBondContact ND2-OE2 3.07Å; N165-E168 WeakPolarHBondContact OD1-CB 3.49Å; N165-E168 PolarHBondContact OD1-N 3.33Å
166E94Very high96.1Very high193 Ų19373.1 Ų73.190%0.90238%0.377SS*.SBendtrans-63.8-28.3-177.9-63.3-174167.100113.5
167V92.8Very high96.1Very high124 Ų12470.9 Ų70.975%0.75236%0.363SS*.SBendtrans-104.4-44.8-174.6-179.70000111N165N165-V167 PolarHBondContact O-N 2.96Å; N165-V167 PolarHBondContact OD1-N 3.32Å
168E94.6Very high96.1Very high57 Ų5773.2 Ų73.227%0.26637%0.369SS..  trans-98.9143.5-166.3-58.7-178.9129.400112K164 N165 Y195K164-E168 HydrophobicContact CB-CB 4.14Å; K164-E168 WeakPolarHBondContact CB-O 3.18Å; K164-E168 HydrophobicContact CD-CB 4.24Å; K164-E168 PolarHBondContact N-O 3Å; K164-E168 IonicContact NZ-OE2 3.88Å; N165-E168 PolarHBondContact N-O 3.36Å; N165-E168 PolarHBondContact ND2-OE2 3.07Å; N165-E168 WeakPolarHBondContact OD1-CB 3.49Å; N165-E168 PolarHBondContact OD1-N 3.33Å; E168-Y195 PolarHBondContact OE1-OH 2.77Å; E168-Y195 PolarHBondContact OE2-OH 3.35Å
169K95.4Very high96.1Very high119 Ų11968.5 Ų68.552%0.51735%0.348SS..EExtended strand (participates in β ladder)trans-139.8131.3-175.5-55.5177.1-172.5170.90109.9V161 I162 L194V161-K169 HydrophobicContact CG1-CB 3.59Å; V161-K169 HydrophobicContact CG1-CD 3.87Å; V161-K169 HydrophobicContact CG1-CG 4.25Å; I162-K169 CarbonylContact O-C 3.58Å; I162-K169 VanDerWaalsContact O-CA 3.3Å; I162-K169 WeakPolarHBondContact O-CA 3.32Å; K169-L194 VanDerWaalsContact O-CD1 3.31Å; K169-L194 WeakPolarHBondContact O-CD1 3.26Å
170Y96Very high96.2Very high19 Ų1964.6 Ų64.68%0.07533%0.333CS..EExtended strand (participates in β ladder)trans-71.6128.7167.5-60.3-73.7000109.2V161 I162 K164 I193 L194 D200 R202V161-Y170 CarbonylContact C-O 3.59Å; V161-Y170 VanDerWaalsContact CA-O 3.29Å; V161-Y170 WeakPolarHBondContact CA-O 3.41Å; I162-Y170 PolarHBondContact N-O 2.9Å; I162-Y170 PolarHBondContact O-N 3.08Å; K164-Y170 HydrophobicContact CB-CD2 3.96Å; K164-Y170 HydrophobicContact CB-CE2 3.44Å; K164-Y170 VanDerWaalsContact CB-CE2 3.44Å; K164-Y170 HydrophobicContact CD-CE1 4.32Å; K164-Y170 HydrophobicContact CD-CE2 4.2Å; K164-Y170 WeakPolarHBondContact CD-OH 3.42Å; K164-Y170 HydrophobicContact CG-CE2 3.73Å; K164-Y170 WeakPolarHBondContact CG-OH 3.32Å; Y170-I193 HydrophobicContact CD1-CD1 4.29Å; Y170-I193 HydrophobicContact CD1-CG1 4.18Å; Y170-L194 HydrophobicContact CD1-CB 4.05Å; Y170-L194 HydrophobicContact CD1-CD1 4.24Å; Y170-L194 HydrophobicContact CD1-CD2 4.34Å; Y170-L194 HydrophobicContact CD1-CG 4.45Å; Y170-L194 HydrophobicContact CE1-CB 4.15Å; Y170-L194 HydrophobicContact CE1-CD2 3.86Å; Y170-L194 HydrophobicContact CE1-CG 4.42Å; Y170-D200 WeakPolarHBondContact CE1-OD1 3.28Å; Y170-D200 PolarHBondContact OH-OD1 2.86Å; Y170-D200 VanDerWaalsContact OH-OD1 3.09Å; Y170-R202 HydrophobicContact CD1-CB 4.01Å; Y170-R202 HydrophobicContact CD2-CB 4.16Å; Y170-R202 HydrophobicContact CD2-CG 4.43Å; Y170-R202 HydrophobicContact CE1-CB 3.96Å; Y170-R202 HydrophobicContact CE2-CB 4.09Å; Y170-R202 HydrophobicContact CE2-CG 4.35Å; Y170-R202 HydrophobicContact CG-CB 4.11Å
171K96.4Very high96.3Very high113 Ų11367.1 Ų67.149%0.49133%0.331SS..EExtended strand (participates in β ladder)trans-89104.8161.3-177.3-171.4178.8-161.50105.8N173 K175 I193K171-N173 HydrophobicContact CG-CB 4.39Å; K171-N173 PolarHBondContact O-N 3.21Å; K171-K175 PolarHBondContact NZ-O 3.34Å; K171-I193 WeakPolarHBondContact O-CB 3.26Å
172M97.5Very high96.4Very high0 Ų062.5 Ų62.50%030%0.304CS..  trans-73.852.8-172.2-61.5-62.4-68.900112.1L154 G157 G160 I162 I193 R202 I204L154-M172 HydrophobicContact CD2-CB 4.18Å; L154-M172 HydrophobicContact CD2-CE 3.86Å; G157-M172 WeakPolarHBondContact CA-O 3.35Å; G160-M172 WeakPolarHBondContact O-CB 3.35Å; G160-M172 PolarHBondContact O-N 3.47Å; I162-M172 HydrophobicContact CB-CG 4.25Å; I162-M172 HydrophobicContact CB-SD 4.41Å; I162-M172 HydrophobicContact CD1-CE 4.04Å; I162-M172 HydrophobicContact CD1-CG 3.6Å; I162-M172 HydrophobicContact CD1-SD 3.84Å; I162-M172 HydrophobicContact CG1-CG 3.69Å; I162-M172 HydrophobicContact CG1-SD 4.27Å; M172-I193 HydrophobicContact CE-CD1 4.34Å; M172-I193 HydrophobicContact SD-CD1 3.63Å; M172-R202 HydrophobicContact SD-CB 4.49Å; M172-I204 HydrophobicContact CE-CG2 4.15Å
173N97.9Very high96.5Very high30 Ų3061.9 Ų61.916%0.1630%0.302CS..  trans-149.6131.6-174.5-165.7-27.5000110.4L154 G157 K171 K175L154-N173 CarbonylContact O-C 3.47Å; L154-N173 WeakPolarHBondContact O-CA 3.3Å; L154-N173 PolarHBondContact O-OD1 2.95Å; G157-N173 WeakPolarHBondContact CA-ND2 3.32Å; K171-N173 HydrophobicContact CG-CB 4.39Å; K171-N173 PolarHBondContact O-N 3.21Å; N173-K175 VanDerWaalsContact C-N 3.3Å; N173-K175 VanDerWaalsContact OD1-CB 3.23Å; N173-K175 WeakPolarHBondContact OD1-CB 3.5Å; N173-K175 PolarHBondContact OD1-N 3.48Å
174Y98.5Very high96.5Very high0 Ų058.8 Ų58.80%029%0.288CS..  trans-72.7-19.5174-67.4-44.7000113.6F151 L154 G176 T177 G191 I193 S236 F238 I287F151-Y174 AromaticContact CD2-CE2 3.54Å; F151-Y174 HydrophobicContact CD2-CE2 3.54Å; F151-Y174 AromaticContact CD2-CZ 3.95Å; F151-Y174 HydrophobicContact CE2-CD2 4.34Å; F151-Y174 AromaticContact CE2-CE2 3.59Å; F151-Y174 HydrophobicContact CE2-CE2 3.59Å; F151-Y174 HydrophobicContact CG-CE2 4.1Å; F151-Y174 HydrophobicContact CZ-CE2 4.19Å; L154-Y174 HydrophobicContact CB-CD1 4.36Å; L154-Y174 HydrophobicContact CB-CD2 3.66Å; L154-Y174 HydrophobicContact CB-CE1 4.06Å; L154-Y174 HydrophobicContact CB-CE2 3.32Å; L154-Y174 HydrophobicContact CB-CG 4.18Å; L154-Y174 HydrophobicContact CD1-CE1 4.04Å; L154-Y174 HydrophobicContact CD1-CE2 4.2Å; L154-Y174 VanDerWaalsContact CD1-OH 3.29Å; L154-Y174 WeakPolarHBondContact CD1-OH 3.48Å; L154-Y174 HydrophobicContact CG-CE2 4.4Å; L154-Y174 PolarHBondContact O-N 2.69Å; Y174-G176 PolarHBondContact O-N 3.42Å; Y174-T177 WeakPolarHBondContact O-CB 3.27Å; Y174-T177 WeakPolarHBondContact O-CG2 3.13Å; Y174-T177 PolarHBondContact O-N 3Å; Y174-T177 PolarHBondContact O-OG1 3.27Å; Y174-G191 VanDerWaalsContact CE1-CA 3.5Å; Y174-I193 HydrophobicContact CD1-CG2 3.83Å; Y174-I193 HydrophobicContact CE1-CG2 4.05Å; Y174-S236 WeakPolarHBondContact CE1-O 3.45Å; Y174-S236 VanDerWaalsContact CZ-O 3.3Å; Y174-S236 PolarHBondContact OH-O 2.74Å; Y174-F238 HydrophobicContact CD1-CE1 4.24Å; Y174-F238 HydrophobicContact CE1-CD1 4.08Å; Y174-F238 HydrophobicContact CE1-CE1 4.01Å; Y174-F238 HydrophobicContact CE2-CD1 4.48Å; Y174-F238 HydrophobicContact CE2-CE1 4.35Å; Y174-F238 AromaticContact CZ-CD1 3.91Å; Y174-I287 VanDerWaalsContact CB-CD1 3.49Å
175K97.5Very high96.6Very high88 Ų8861.7 Ų61.738%0.38331%0.307SS..THydrogen-bonded Turntrans-61.3120.5176.2-178.4173.2178.2160.60111.4K171 N173 E285 D286 I287K171-K175 PolarHBondContact NZ-O 3.34Å; N173-K175 VanDerWaalsContact C-N 3.3Å; N173-K175 VanDerWaalsContact OD1-CB 3.23Å; N173-K175 WeakPolarHBondContact OD1-CB 3.5Å; N173-K175 PolarHBondContact OD1-N 3.48Å; K175-E285 VanDerWaalsContact CE-O 3.27Å; K175-E285 WeakPolarHBondContact CE-O 3.38Å; K175-E285 WeakPolarHBondContact CG-O 3.48Å; K175-D286 WeakPolarHBondContact CE-OD1 3.47Å; K175-D286 IonicContact NZ-OD1 2.66Å; K175-D286 PolarHBondContact NZ-OD1 3.14Å; K175-I287 HydrophobicContact CB-CD1 4.49Å
176G96.1Very high96.8Very high48 Ų4858.9 Ų58.950%0.49530%0.295SS..THydrogen-bonded Turntrans86.19.1-17500000114.1Y174 I284Y174-G176 PolarHBondContact O-N 3.42Å; G176-I284 WeakPolarHBondContact CA-O 3.23Å; G176-I284 PolarHBondContact N-O 3.45Å
177T97.9Very high97Very high6 Ų651.2 Ų51.24%0.03726%0.258CS..  trans-89.2164.7172.867.60000111.8Y174 I193 N196 I284Y174-T177 WeakPolarHBondContact O-CB 3.27Å; Y174-T177 WeakPolarHBondContact O-CG2 3.13Å; Y174-T177 PolarHBondContact O-N 3Å; Y174-T177 PolarHBondContact O-OG1 3.27Å; T177-I193 HydrophobicContact CG2-CG2 4.24Å; T177-N196 WeakPolarHBondContact CA-OD1 3.36Å; T177-N196 WeakPolarHBondContact CB-OD1 3.49Å; T177-I284 PolarHBondContact O-N 2.6Å
178K97.7Very high97.3Very high62 Ų6245.3 Ų45.327%0.2722%0.222SC..EExtended strand (participates in β ladder)trans-110.6151.3-177.2-56.6-176.4174.5-171.50112.2F180 N196 D281 I282K178-F180 PolarHBondContact O-N 3.41Å; K178-N196 HydrophobicContact CB-CB 4.12Å; K178-N196 HydrophobicContact CD-CB 4.14Å; K178-N196 HydrophobicContact CG-CB 4.05Å; K178-N196 PolarHBondContact N-OD1 3.05Å; K178-D281 WeakPolarHBondContact CE-OD1 3.45Å; K178-D281 WeakPolarHBondContact CE-OD2 3.31Å; K178-D281 IonicContact NZ-OD1 2.6Å; K178-D281 PolarHBondContact NZ-OD1 3.13Å; K178-D281 IonicContact NZ-OD2 2.74Å; K178-D281 PolarHBondContact NZ-OD2 2.72Å; K178-I282 CarbonylContact C-O 3.51Å; K178-I282 VanDerWaalsContact CA-O 3.3Å; K178-I282 WeakPolarHBondContact CA-O 3.3Å
179F98.4Very high97.4Very high3 Ų343.5 Ų43.51%0.01321%0.214CC..EExtended strand (participates in β ladder)trans-81.2101.7155.8-65-88.4000108.3M123 I125 I188 Q189 F238 I240 M268 I282 I284M123-F179 HydrophobicContact SD-CE2 4.38Å; M123-F179 HydrophobicContact SD-CZ 4.02Å; I125-F179 HydrophobicContact CD1-CE2 3.83Å; I125-F179 HydrophobicContact CD1-CZ 4.49Å; F179-I188 HydrophobicContact CB-CD1 3.81Å; F179-I188 HydrophobicContact CB-CG1 3.79Å; F179-I188 HydrophobicContact CD1-CD1 4.14Å; F179-I188 HydrophobicContact CD1-CG1 3.76Å; F179-I188 HydrophobicContact CG-CD1 3.98Å; F179-I188 HydrophobicContact CG-CG1 4Å; F179-Q189 CarbonylContact C-O 3.57Å; F179-Q189 WeakPolarHBondContact CA-O 3.44Å; F179-F238 AromaticContact CE1-CE2 3.78Å; F179-F238 HydrophobicContact CE1-CE2 3.78Å; F179-F238 AromaticContact CE1-CZ 3.83Å; F179-F238 HydrophobicContact CE1-CZ 3.83Å; F179-F238 HydrophobicContact CZ-CE2 4.21Å; F179-F238 HydrophobicContact CZ-CZ 4.01Å; F179-I240 HydrophobicContact CE1-CD1 4.29Å; F179-I240 HydrophobicContact CZ-CD1 4.48Å; F179-M268 HydrophobicContact CD2-CE 3.76Å; F179-M268 HydrophobicContact CE1-CE 4.42Å; F179-M268 HydrophobicContact CE2-CE 3.64Å; F179-M268 HydrophobicContact CG-CE 4.21Å; F179-M268 HydrophobicContact CZ-CE 3.98Å; F179-I282 HydrophobicContact CB-CB 4.19Å; F179-I282 HydrophobicContact CB-CG2 4.31Å; F179-I282 HydrophobicContact CD2-CB 4.45Å; F179-I282 HydrophobicContact CD2-CG2 3.82Å; F179-I282 HydrophobicContact CG-CG2 4.43Å; F179-I282 PolarHBondContact N-O 2.92Å; F179-I284 HydrophobicContact CD2-CG1 4.38Å; F179-I284 HydrophobicContact CE2-CD1 3.99Å; F179-I284 HydrophobicContact CE2-CG1 3.62Å; F179-I284 HydrophobicContact CZ-CD1 4.13Å; F179-I284 HydrophobicContact CZ-CG1 4.21Å
180F97.7Very high97.6Very high19 Ų1937.9 Ų37.98%0.08319%0.189CC..  trans-90.4-11.2-170.753.3-102000113.4K178 Q189 D192 N196 Q237K178-F180 PolarHBondContact O-N 3.41Å; F180-Q189 HydrophobicContact CE2-CB 4.37Å; F180-Q189 HydrophobicContact CE2-CG 3.85Å; F180-Q189 HydrophobicContact CZ-CG 3.72Å; F180-Q189 PolarHBondContact N-O 2.83Å; F180-D192 HydrophobicContact CD1-CB 3.99Å; F180-D192 HydrophobicContact CE1-CB 3.57Å; F180-D192 HydrophobicContact CZ-CB 4.44Å; F180-N196 WeakPolarHBondContact CB-O 3.23Å; F180-Q237 HydrophobicContact CZ-CG 4.33Å
181R98.2Very high97.7Very high86 Ų8637 Ų3733%0.32519%0.185SC..EExtended strand (participates in β ladder)trans-137.5134.7177.8-176.1-175.5-167.8-174.81.7110.6I188 Q189 E276R181-I188 CarbonylContact O-C 3.58Å; R181-I188 WeakPolarHBondContact O-CA 3.44Å; R181-Q189 HydrophobicContact CB-CB 4.17Å; R181-Q189 PolarHBondContact N-O 3.08Å; R181-Q189 PolarHBondContact O-N 2.75Å; R181-E276 CarbonylContact C-O 3.56Å; R181-E276 VanDerWaalsContact CA-O 3.3Å; R181-E276 WeakPolarHBondContact CA-O 3.38Å; R181-E276 HydrophobicContact CG-CB 4.04Å; R181-E276 IonicContact CZ-OE2 3.62Å; R181-E276 IonicContact NE-OE2 3.58Å; R181-E276 PolarHBondContact NE-OE2 3.36Å; R181-E276 IonicContact NH2-OE1 2.74Å; R181-E276 IonicContact NH2-OE2 2.81Å; R181-E276 PolarHBondContact NH2-OE2 3.13Å
182L98.6Very high97.7Very high1 Ų131.6 Ų31.61%0.00516%0.162CC..EExtended strand (participates in β ladder)trans-138.4120.1-179.9169.759.9000109.2I188 L242 M268 V271 T273 E276 P278 I282L182-I188 HydrophobicContact CB-CG1 4.45Å; L182-I188 HydrophobicContact CD1-CB 4.02Å; L182-I188 HydrophobicContact CD1-CD1 4.19Å; L182-I188 HydrophobicContact CD1-CG1 4.23Å; L182-L242 HydrophobicContact CD1-CD1 3.48Å; L182-L242 VanDerWaalsContact CD1-CD1 3.48Å; L182-M268 VanDerWaalsContact CD2-O 3.23Å; L182-M268 WeakPolarHBondContact CD2-O 3.38Å; L182-V271 HydrophobicContact CD2-CB 4.13Å; L182-T273 HydrophobicContact CB-CG2 3.88Å; L182-T273 HydrophobicContact CD2-CG2 3.77Å; L182-T273 HydrophobicContact CG-CG2 3.88Å; L182-E276 PolarHBondContact N-O 2.93Å; L182-E276 WeakPolarHBondContact O-CA 3.41Å; L182-P278 HydrophobicContact CB-CG 3.84Å; L182-I282 HydrophobicContact CD2-CD1 4.45Å
183V98Very high97.7Very high29 Ų2932 Ų3218%0.17616%0.164CC..EExtended strand (participates in β ladder)trans-116.8105.9174-175.50000107.4N185 G186 W187 E276V183-N185 PolarHBondContact O-N 3.12Å; V183-G186 CarbonylContact O-C 3.39Å; V183-G186 VanDerWaalsContact O-CA 3.28Å; V183-G186 WeakPolarHBondContact O-CA 3.42Å; V183-G186 PolarHBondContact O-N 3.05Å; V183-W187 HydrophobicContact CB-CD2 4.4Å; V183-W187 HydrophobicContact CB-CE3 4.17Å; V183-W187 HydrophobicContact CB-CZ3 4.24Å; V183-W187 HydrophobicContact CG1-CE3 4.49Å; V183-W187 HydrophobicContact CG1-CZ3 4.23Å; V183-W187 HydrophobicContact CG2-CD2 4.31Å; V183-W187 HydrophobicContact CG2-CE3 4.32Å; V183-W187 HydrophobicContact CG2-CH2 3.98Å; V183-W187 HydrophobicContact CG2-CZ2 3.98Å; V183-W187 HydrophobicContact CG2-CZ3 4.15Å; V183-W187 PolarHBondContact N-O 3.22Å; V183-W187 PolarHBondContact O-N 2.94Å; V183-W187 VanDerWaalsContact O-N 3.1Å; V183-E276 HydrophobicContact CG2-CB 4.2Å; V183-E276 HydrophobicContact CG2-CG 4.01Å
184K96.5Very high97.5Very high96 Ų9632 Ų3242%0.41716%0.164SC..THydrogen-bonded Turntrans-58.1137.2179.3-61.1-168.5179.9-155.50110.7G186 E269 E270 V271K184-G186 PolarHBondContact O-N 3.43Å; K184-E269 HydrophobicContact CB-CG 4.49Å; K184-E269 WeakPolarHBondContact CE-O 3.41Å; K184-E269 HydrophobicContact CG-CG 4.31Å; K184-E269 PolarHBondContact NZ-O 3.25Å; K184-E270 PolarHBondContact NZ-O 2.93Å; K184-V271 WeakPolarHBondContact CE-O 3.17Å
185N95Very high97.2Very high131 Ų13135.1 Ų35.170%0.70118%0.176SC*.THydrogen-bonded Turntrans5521.1-169.6-58.1-59.4000114.3V183 A243 E269V183-N185 PolarHBondContact O-N 3.12Å; N185-A243 WeakPolarHBondContact O-CB 3.12Å; N185-E269 PolarHBondContact N-OE1 3.02Å
186G97.6Very high97Very high12 Ų1232.9 Ų32.912%0.12417%0.169CC..THydrogen-bonded Turntrans-125.3-96.2177.800000109.7V183 K184 L242 A243V183-G186 CarbonylContact O-C 3.39Å; V183-G186 VanDerWaalsContact O-CA 3.28Å; V183-G186 WeakPolarHBondContact O-CA 3.42Å; V183-G186 PolarHBondContact O-N 3.05Å; K184-G186 PolarHBondContact O-N 3.43Å; G186-L242 PolarHBondContact O-N 2.61Å; G186-A243 PolarHBondContact O-N 2.92Å
187W98.2Very high96.8Very high32 Ų3237.3 Ų37.312%0.12117%0.171CC..EExtended strand (participates in β ladder)trans-151.6162.4179.669.598.5000111.3V183 L239 I240 W247 M248V183-W187 HydrophobicContact CB-CD2 4.4Å; V183-W187 HydrophobicContact CB-CE3 4.17Å; V183-W187 HydrophobicContact CB-CZ3 4.24Å; V183-W187 HydrophobicContact CG1-CE3 4.49Å; V183-W187 HydrophobicContact CG1-CZ3 4.23Å; V183-W187 HydrophobicContact CG2-CD2 4.31Å; V183-W187 HydrophobicContact CG2-CE3 4.32Å; V183-W187 HydrophobicContact CG2-CH2 3.98Å; V183-W187 HydrophobicContact CG2-CZ2 3.98Å; V183-W187 HydrophobicContact CG2-CZ3 4.15Å; V183-W187 PolarHBondContact N-O 3.22Å; V183-W187 PolarHBondContact O-N 2.94Å; V183-W187 VanDerWaalsContact O-N 3.1Å; W187-L239 HydrophobicContact CB-CB 4.32Å; W187-L239 HydrophobicContact CB-CD1 4.2Å; W187-L239 HydrophobicContact CG-CB 4.27Å; W187-L239 HydrophobicContact CG-CD2 4.44Å; W187-I240 CarbonylContact C-O 3.57Å; W187-I240 VanDerWaalsContact CA-O 3.26Å; W187-I240 WeakPolarHBondContact CA-O 3.47Å; W187-I240 WeakPolarHBondContact CB-O 3.26Å; W187-W247 HydrophobicContact CE3-CH2 4.32Å; W187-W247 AromaticContact CE3-CZ2 3.94Å; W187-W247 HydrophobicContact CE3-CZ2 3.94Å; W187-W247 HydrophobicContact CH2-CH2 4.06Å; W187-W247 HydrophobicContact CH2-CZ2 4.24Å; W187-W247 AromaticContact CZ3-CH2 3.82Å; W187-W247 HydrophobicContact CZ3-CH2 3.82Å; W187-W247 AromaticContact CZ3-CZ2 3.55Å; W187-W247 HydrophobicContact CZ3-CZ2 3.55Å; W187-M248 HydrophobicContact CB-CE 4.15Å; W187-M248 HydrophobicContact CD2-CE 3.73Å; W187-M248 HydrophobicContact CE3-CE 3.6Å; W187-M248 HydrophobicContact CG-CE 3.98Å; W187-M248 HydrophobicContact CZ3-CE 4.29Å
188I98.6Very high96.5Very high1 Ų138.1 Ų38.11%0.00518%0.18CC..EExtended strand (participates in β ladder)trans-114.5138.8166.2-172.9166.3000108.6F179 R181 L182 L239 I240 L242 L265 M268 I282F179-I188 HydrophobicContact CB-CD1 3.81Å; F179-I188 HydrophobicContact CB-CG1 3.79Å; F179-I188 HydrophobicContact CD1-CD1 4.14Å; F179-I188 HydrophobicContact CD1-CG1 3.76Å; F179-I188 HydrophobicContact CG-CD1 3.98Å; F179-I188 HydrophobicContact CG-CG1 4Å; R181-I188 CarbonylContact O-C 3.58Å; R181-I188 WeakPolarHBondContact O-CA 3.44Å; L182-I188 HydrophobicContact CB-CG1 4.45Å; L182-I188 HydrophobicContact CD1-CB 4.02Å; L182-I188 HydrophobicContact CD1-CD1 4.19Å; L182-I188 HydrophobicContact CD1-CG1 4.23Å; I188-L239 CarbonylContact O-C 3.57Å; I188-L239 WeakPolarHBondContact O-CA 3.28Å; I188-I240 HydrophobicContact CG2-CB 3.76Å; I188-I240 HydrophobicContact CG2-CG1 4.19Å; I188-I240 PolarHBondContact N-O 2.94Å; I188-I240 PolarHBondContact O-N 3.33Å; I188-L242 HydrophobicContact CB-CD1 4.27Å; I188-L242 HydrophobicContact CG2-CD2 4.25Å; I188-L265 HydrophobicContact CG2-CD1 4.28Å; I188-M268 HydrophobicContact CD1-CB 4.13Å; I188-M268 HydrophobicContact CD1-CE 3.76Å; I188-I282 HydrophobicContact CD1-CD1 3.96Å
189Q98.5Very high96.2Very high19 Ų1940.3 Ų40.39%0.08919%0.194CC..EExtended strand (participates in β ladder)trans-128.1136.1-171.4-175.4-177.2-11.100111.1F179 F180 R181 A227 F238 L239F179-Q189 CarbonylContact C-O 3.57Å; F179-Q189 WeakPolarHBondContact CA-O 3.44Å; F180-Q189 HydrophobicContact CE2-CB 4.37Å; F180-Q189 HydrophobicContact CE2-CG 3.85Å; F180-Q189 HydrophobicContact CZ-CG 3.72Å; F180-Q189 PolarHBondContact N-O 2.83Å; R181-Q189 HydrophobicContact CB-CB 4.17Å; R181-Q189 PolarHBondContact N-O 3.08Å; R181-Q189 PolarHBondContact O-N 2.75Å; Q189-A227 HydrophobicContact CG-CB 4.42Å; Q189-F238 WeakPolarHBondContact CA-O 3.31Å; Q189-F238 WeakPolarHBondContact CG-O 3.35Å; Q189-L239 HydrophobicContact CB-CB 4.43Å
190G98.2Very high95.9Very high0 Ų041.5 Ų41.50%020%0.201CC..EExtended strand (participates in β ladder)trans-145.6-165178.600000111.8Q237 F238G190-Q237 VanDerWaalsContact O-CA 3.3Å; G190-Q237 WeakPolarHBondContact O-CA 3.35Å; G190-F238 PolarHBondContact N-O 3.41Å; G190-F238 PolarHBondContact O-N 3.18Å
191G97.7Very high95.7Very high0 Ų041.5 Ų41.50%021%0.206CC..  trans87.315.2173.400000115.9Y174 I193 S236Y174-G191 VanDerWaalsContact CE1-CA 3.5Å; G191-I193 PolarHBondContact O-N 2.93Å; G191-S236 CarbonylContact O-C 3.52Å; G191-S236 VanDerWaalsContact O-C 3.28Å; G191-S236 VanDerWaalsContact O-CB 3.23Å; G191-S236 WeakPolarHBondContact O-CB 3.27Å; G191-S236 PolarHBondContact O-OG 3.35Å
192D97.3Very high95.7Very high0 Ų040 Ų400%020%0.201CC..  trans-76.3104.3162.3172.6-8.6000108.2F180 L194 Y195 N196 R197 G198 Q237F180-D192 HydrophobicContact CD1-CB 3.99Å; F180-D192 HydrophobicContact CE1-CB 3.57Å; F180-D192 HydrophobicContact CZ-CB 4.44Å; D192-L194 VanDerWaalsContact C-N 3.28Å; D192-L194 PolarHBondContact O-N 2.89Å; D192-L194 PolarHBondContact OD1-N 2.86Å; D192-Y195 PolarHBondContact OD1-N 3.19Å; D192-N196 VanDerWaalsContact CG-N 3.26Å; D192-N196 PolarHBondContact O-OD1 3.36Å; D192-N196 VanDerWaalsContact O-OD1 3.13Å; D192-N196 PolarHBondContact OD1-N 3.32Å; D192-N196 PolarHBondContact OD2-N 3.33Å; D192-N196 VanDerWaalsContact OD2-N 3.11Å; D192-R197 PolarHBondContact OD2-N 3.17Å; D192-G198 PolarHBondContact OD2-N 2.9Å; D192-Q237 HydrophobicContact CB-CG 4.47Å
193I96.7Very high95.6Very high8 Ų840 Ų404%0.04120%0.201CC..SBendtrans-88.29.8-174.259.3170.7000113.6L154 Y170 K171 M172 Y174 T177 G191 R202L154-I193 HydrophobicContact CD2-CD1 4.02Å; Y170-I193 HydrophobicContact CD1-CD1 4.29Å; Y170-I193 HydrophobicContact CD1-CG1 4.18Å; K171-I193 WeakPolarHBondContact O-CB 3.26Å; M172-I193 HydrophobicContact CE-CD1 4.34Å; M172-I193 HydrophobicContact SD-CD1 3.63Å; Y174-I193 HydrophobicContact CD1-CG2 3.83Å; Y174-I193 HydrophobicContact CE1-CG2 4.05Å; T177-I193 HydrophobicContact CG2-CG2 4.24Å; G191-I193 PolarHBondContact O-N 2.93Å; I193-R202 HydrophobicContact CD1-CB 4.39Å
194L94.5Very high95.6Very high32 Ų3239.4 Ų39.417%0.16820%0.196CC..SBendtrans-118.8-61.3-177.9-173.464.3000111.8K164 K169 Y170 D192 D200K164-L194 HydrophobicContact CD-CD2 3.57Å; K169-L194 VanDerWaalsContact O-CD1 3.31Å; K169-L194 WeakPolarHBondContact O-CD1 3.26Å; Y170-L194 HydrophobicContact CD1-CB 4.05Å; Y170-L194 HydrophobicContact CD1-CD1 4.24Å; Y170-L194 HydrophobicContact CD1-CD2 4.34Å; Y170-L194 HydrophobicContact CD1-CG 4.45Å; Y170-L194 HydrophobicContact CE1-CB 4.15Å; Y170-L194 HydrophobicContact CE1-CD2 3.86Å; Y170-L194 HydrophobicContact CE1-CG 4.42Å; D192-L194 VanDerWaalsContact C-N 3.28Å; D192-L194 PolarHBondContact O-N 2.89Å; D192-L194 PolarHBondContact OD1-N 2.86Å; L194-D200 HydrophobicContact CB-CB 4.26Å; L194-D200 HydrophobicContact CD2-CB 4.05Å; L194-D200 WeakPolarHBondContact CD2-OD2 3.45Å
195Y92.3Very high95.7Very high64 Ų6439.1 Ų39.125%0.25119%0.193SC..SBendtrans-114.4-13.6-173.6-54.2-59.5000113.8K164 E168 D192 R197 D200K164-Y195 PolarHBondContact NZ-OH 3.24Å; K164-Y195 VanDerWaalsContact NZ-OH 3.13Å; E168-Y195 PolarHBondContact OE1-OH 2.77Å; E168-Y195 PolarHBondContact OE2-OH 3.35Å; D192-Y195 PolarHBondContact OD1-N 3.19Å; Y195-R197 VanDerWaalsContact C-N 3.26Å; Y195-R197 WeakPolarHBondContact O-CG 3.44Å; Y195-R197 PolarHBondContact O-N 3.37Å; Y195-D200 HydrophobicContact CD2-CB 4.1Å; Y195-D200 HydrophobicContact CE2-CB 4.24Å
196N92.5Very high95.8Very high42 Ų4233.3 Ų33.323%0.22516%0.164CC..SBendtrans58.233.9-172.5-64.7-71.7000113.6T177 K178 F180 D192T177-N196 WeakPolarHBondContact CA-OD1 3.36Å; T177-N196 WeakPolarHBondContact CB-OD1 3.49Å; K178-N196 HydrophobicContact CB-CB 4.12Å; K178-N196 HydrophobicContact CD-CB 4.14Å; K178-N196 HydrophobicContact CG-CB 4.05Å; K178-N196 PolarHBondContact N-OD1 3.05Å; F180-N196 WeakPolarHBondContact CB-O 3.23Å; D192-N196 VanDerWaalsContact CG-N 3.26Å; D192-N196 PolarHBondContact O-OD1 3.36Å; D192-N196 VanDerWaalsContact O-OD1 3.13Å; D192-N196 PolarHBondContact OD1-N 3.32Å; D192-N196 PolarHBondContact OD2-N 3.33Å; D192-N196 VanDerWaalsContact OD2-N 3.11Å
197R92.2Very high95.7Very high141 Ų14136.8 Ų36.853%0.53218%0.184SC..SBendtrans-118.8-8.3-179.6-48.3-177.8-146.6-91.8-2.2112.8D192 Y195 R277D192-R197 PolarHBondContact OD2-N 3.17Å; Y195-R197 VanDerWaalsContact C-N 3.26Å; Y195-R197 WeakPolarHBondContact O-CG 3.44Å; Y195-R197 PolarHBondContact O-N 3.37Å; R197-R277 PolarHBondContact O-NH2 3.16Å
198G92.6Very high95.6Very high23 Ų2338.8 Ų38.824%0.23720%0.2CC..SBendtrans87.66.9177.100000114.7D192 Q237D192-G198 PolarHBondContact OD2-N 2.9Å; G198-Q237 PolarHBondContact O-NE2 3.37Å
199D91.2Very high95.6Very high107 Ų10739 Ų3957%0.57220%0.201SC*.SBendtrans-92.9-1018055.9-16.7000113.4
200D92.8Very high95.6Very high28 Ų2843.7 Ų43.715%0.1522%0.223CC..  trans-142.5165.8-175.7-141.7-53.8000113.5K164 Y170 L194 Y195 Q237K164-D200 VanDerWaalsContact CE-OD2 3.31Å; K164-D200 WeakPolarHBondContact CE-OD2 3.37Å; K164-D200 IonicContact NZ-OD2 3.64Å; K164-D200 PolarHBondContact NZ-OD2 2.81Å; Y170-D200 WeakPolarHBondContact CE1-OD1 3.28Å; Y170-D200 PolarHBondContact OH-OD1 2.86Å; Y170-D200 VanDerWaalsContact OH-OD1 3.09Å; L194-D200 HydrophobicContact CB-CB 4.26Å; L194-D200 HydrophobicContact CD2-CB 4.05Å; L194-D200 WeakPolarHBondContact CD2-OD2 3.45Å; Y195-D200 HydrophobicContact CD2-CB 4.1Å; Y195-D200 HydrophobicContact CE2-CB 4.24Å; D200-Q237 PolarHBondContact O-NE2 2.86Å
201G93.1Very high95.6Very high19 Ų1944.5 Ų44.520%0.19623%0.227CC..  trans169.8154.2-179.300000111.6S236G201-S236 WeakPolarHBondContact CA-OG 3.47Å
202R97.2Very high95.6Very high56 Ų5647.5 Ų47.521%0.21124%0.241CC..  trans-145.2133179.9-175.5-178174.990.8-1.1110.9Y170 M172 I193 G206 S236Y170-R202 HydrophobicContact CD1-CB 4.01Å; Y170-R202 HydrophobicContact CD2-CB 4.16Å; Y170-R202 HydrophobicContact CD2-CG 4.43Å; Y170-R202 HydrophobicContact CE1-CB 3.96Å; Y170-R202 HydrophobicContact CE2-CB 4.09Å; Y170-R202 HydrophobicContact CE2-CG 4.35Å; Y170-R202 HydrophobicContact CG-CB 4.11Å; M172-R202 HydrophobicContact SD-CB 4.49Å; I193-R202 HydrophobicContact CD1-CB 4.39Å; R202-G206 VanDerWaalsContact CG-O 3.22Å; R202-G206 WeakPolarHBondContact CG-O 3.44Å; R202-S236 PolarHBondContact N-OG 2.84Å; R202-S236 WeakPolarHBondContact O-CB 3.22Å
203S98Very high95.6Very high0 Ų049.3 Ų49.30%025%0.251CS..BIsolated β-bridgetrans-76.216317278.10000112.4N150 Y205 G206 P207 F209N150-S203 VanDerWaalsContact OD1-CA 3.22Å; N150-S203 WeakPolarHBondContact OD1-CA 3.39Å; N150-S203 VanDerWaalsContact OD1-CB 3.27Å; N150-S203 WeakPolarHBondContact OD1-CB 2.98Å; S203-Y205 PolarHBondContact O-N 3.29Å; S203-Y205 PolarHBondContact OG-N 2.82Å; S203-G206 CarbonylContact C-O 3.47Å; S203-G206 PolarHBondContact N-O 2.79Å; S203-G206 VanDerWaalsContact N-O 3.08Å; S203-G206 PolarHBondContact O-N 2.75Å; S203-G206 PolarHBondContact OG-N 3.39Å; S203-G206 VanDerWaalsContact OG-N 3.17Å; S203-G206 PolarHBondContact OG-O 3.36Å; S203-P207 PolarHBondContact N-O 2.84Å; S203-F209 VanDerWaalsContact CB-CD1 3.48Å
204I97.9Very high95.6Very high16 Ų1651.6 Ų51.68%0.08226%0.261CS..THydrogen-bonded Turntrans-66.8-21.4172.866.8172.4000112.9E149 N150 L154 Y159 M172E149-I204 HydrophobicContact CG-CD1 4.16Å; N150-I204 HydrophobicContact CB-CG1 4.28Å; N150-I204 PolarHBondContact OD1-N 2.92Å; L154-I204 HydrophobicContact CG-CG2 4.26Å; Y159-I204 HydrophobicContact CD1-CB 4.44Å; Y159-I204 HydrophobicContact CD2-CB 4.18Å; Y159-I204 HydrophobicContact CD2-CG2 3.82Å; Y159-I204 HydrophobicContact CE1-CB 4.22Å; Y159-I204 HydrophobicContact CE2-CB 3.95Å; Y159-I204 HydrophobicContact CE2-CD1 3.97Å; Y159-I204 HydrophobicContact CE2-CG2 3.96Å; Y159-I204 HydrophobicContact CG-CB 4.42Å; Y159-I204 HydrophobicContact CG-CG2 4.23Å; M172-I204 HydrophobicContact CE-CG2 4.15Å
205Y97.6Very high95.7Very high91 Ų9155.8 Ų55.836%0.35728%0.282SS..THydrogen-bonded Turntrans-88.5-12.5-177.4-52.1-57.5000113.6R146 N150 S203 F209R146-Y205 HydrophobicContact CG-CD2 4.37Å; R146-Y205 HydrophobicContact CG-CE2 3.51Å; R146-Y205 PolarHBondContact O-OH 3.39Å; N150-Y205 HydrophobicContact CB-CE2 3.95Å; S203-Y205 PolarHBondContact O-N 3.29Å; S203-Y205 PolarHBondContact OG-N 2.82Å; Y205-F209 HydrophobicContact CD2-CB 3.99Å; Y205-F209 HydrophobicContact CD2-CD1 4.36Å; Y205-F209 HydrophobicContact CD2-CG 4.07Å
206G96.4Very high96Very high8 Ų853.7 Ų53.78%0.08228%0.275CS..BIsolated β-bridgetrans153.4-171.1-167.800000112.5R202 S203 V208R202-G206 VanDerWaalsContact CG-O 3.22Å; R202-G206 WeakPolarHBondContact CG-O 3.44Å; S203-G206 CarbonylContact C-O 3.47Å; S203-G206 PolarHBondContact N-O 2.79Å; S203-G206 VanDerWaalsContact N-O 3.08Å; S203-G206 PolarHBondContact O-N 2.75Å; S203-G206 PolarHBondContact OG-N 3.39Å; S203-G206 VanDerWaalsContact OG-N 3.17Å; S203-G206 PolarHBondContact OG-O 3.36Å; G206-V208 VanDerWaalsContact C-N 3.28Å; G206-V208 PolarHBondContact O-N 2.9Å
207P95.5Very high96.3Very high85 Ų8555.2 Ų55.255%0.55228%0.279SS*.SBendtrans-51.8-49.8172.8-23.933.8000111.7S203S203-P207 PolarHBondContact N-O 2.84Å
208V97.5Very high96.5Very high74 Ų7448.5 Ų48.545%0.44825%0.254SS..  trans-141.2166.8177.4-63.10000111.3G206 N234G206-V208 VanDerWaalsContact C-N 3.28Å; G206-V208 PolarHBondContact O-N 2.9Å; V208-N234 CarbonylContact C-O 3.48Å; V208-N234 WeakPolarHBondContact CA-O 3.47Å; V208-N234 WeakPolarHBondContact CB-O 3.13Å
209F98.4Very high96.7Very high7 Ų751.3 Ų51.33%0.03126%0.264CS..BIsolated β-bridgetrans-135.4163.3171.372-79.5000112.5T147 N150 S203 Y205 M226 H232 N234T147-F209 HydrophobicContact CG2-CE2 4.35Å; T147-F209 HydrophobicContact CG2-CZ 4.17Å; N150-F209 HydrophobicContact CB-CE1 4.23Å; N150-F209 HydrophobicContact CB-CZ 4.29Å; N150-F209 WeakPolarHBondContact ND2-CE1 3.2Å; S203-F209 VanDerWaalsContact CB-CD1 3.48Å; Y205-F209 HydrophobicContact CD2-CB 3.99Å; Y205-F209 HydrophobicContact CD2-CD1 4.36Å; Y205-F209 HydrophobicContact CD2-CG 4.07Å; F209-M226 HydrophobicContact CE1-CE 4.06Å; F209-M226 HydrophobicContact CZ-CE 4.11Å; F209-M226 HydrophobicContact CZ-CG 4.38Å; F209-M226 HydrophobicContact CZ-SD 4.41Å; F209-H232 CarbonylContact O-C 3.28Å; F209-N234 HydrophobicContact CD1-CB 3.69Å; F209-N234 WeakPolarHBondContact CD1-O 3.25Å; F209-N234 HydrophobicContact CD2-CB 4.21Å; F209-N234 HydrophobicContact CE1-CB 3.31Å; F209-N234 WeakPolarHBondContact CE1-O 3.44Å; F209-N234 HydrophobicContact CE2-CB 3.88Å; F209-N234 HydrophobicContact CG-CB 4.13Å; F209-N234 HydrophobicContact CZ-CB 3.42Å; F209-N234 VanDerWaalsContact CZ-CB 3.42Å; F209-N234 PolarHBondContact N-O 3.07Å; F209-N234 PolarHBondContact O-N 3.01Å; F209-N234 VanDerWaalsContact O-N 3.09Å; F209-N234 PolarHBondContact O-ND2 3.21Å
210E97.9Very high96.8Very high117 Ų11749.9 Ų49.955%0.54725%0.25SS..  trans-72.2146.8-174.9-66.4175.5172.800113.1E212 H232E210-E212 PolarHBondContact O-N 2.85Å; E210-H232 HydrophobicContact CB-CB 4.23Å; E210-H232 WeakPolarHBondContact CB-ND1 3.19Å; E210-H232 HydrophobicContact CG-CB 4.04Å
211D98.2Very high96.9Very high17 Ų1750.7 Ų50.79%0.09125%0.251CS..  trans-56.2125.7165.5-51.4-43000111.1F214 R231 H232 N234 V253D211-F214 HydrophobicContact CB-CE1 4.27Å; D211-F214 HydrophobicContact CB-CE2 4.41Å; D211-F214 HydrophobicContact CB-CZ 3.72Å; D211-R231 WeakPolarHBondContact OD2-CA 3.4Å; D211-R231 VanDerWaalsContact OD2-CG 3.26Å; D211-R231 WeakPolarHBondContact OD2-CG 3.49Å; D211-H232 PolarHBondContact N-ND1 3.41Å; D211-H232 IonicContact OD2-CE1 3.89Å; D211-H232 IonicContact OD2-CG 3.79Å; D211-H232 PolarHBondContact OD2-N 2.81Å; D211-H232 IonicContact OD2-ND1 3.37Å; D211-N234 PolarHBondContact N-ND2 2.64Å; D211-N234 PolarHBondContact OD1-ND2 3.26Å; D211-V253 HydrophobicContact CB-CG2 3.76Å
212E97.7Very high97.1Very high62 Ų6249.9 Ų49.929%0.2924%0.242SC..  trans-82.2-55.3-175.3-171.3165.2-169.100112V144 P145 R146 T147 E210V144-E212 VanDerWaalsContact C-CD 3.49Å; V144-E212 VanDerWaalsContact CA-CD 3.4Å; V144-E212 WeakPolarHBondContact CA-OE2 3.41Å; V144-E212 HydrophobicContact CB-CB 4.5Å; V144-E212 HydrophobicContact CB-CG 4.31Å; V144-E212 WeakPolarHBondContact CB-OE2 2.91Å; V144-E212 HydrophobicContact CG1-CB 4.11Å; V144-E212 HydrophobicContact CG1-CG 4.08Å; P145-E212 WeakPolarHBondContact CD-OE1 3.47Å; P145-E212 WeakPolarHBondContact CG-OE1 3.02Å; R146-E212 WeakPolarHBondContact CB-OE2 3.5Å; R146-E212 PolarHBondContact N-OE1 3.45Å; R146-E212 VanDerWaalsContact N-OE1 3.08Å; R146-E212 PolarHBondContact N-OE2 3.16Å; T147-E212 WeakPolarHBondContact CB-OE2 3.46Å; T147-E212 PolarHBondContact N-OE2 2.96Å; T147-E212 PolarHBondContact OG1-OE2 2.99Å; E210-E212 PolarHBondContact O-N 2.85Å
213N96.6Very high97.2Very high39 Ų3947.2 Ų47.221%0.20923%0.232CC..  trans-163.8179.8167.76569.5000111.1I143 V144 I215I143-N213 PolarHBondContact O-ND2 3Å; V144-N213 VanDerWaalsContact CG1-ND2 3.34Å; V144-N213 WeakPolarHBondContact CG1-ND2 3.29Å; N213-I215 HydrophobicContact CB-CD1 4.5Å; N213-I215 HydrophobicContact CB-CG1 4.4Å; N213-I215 PolarHBondContact OD1-N 2.89Å
214F97.5Very high97.2Very high56 Ų5647.2 Ų47.225%0.24623%0.232CC..  trans-129.833-178.8-53.7-72.2000112.5D211 K217 N250 V253D211-F214 HydrophobicContact CB-CE1 4.27Å; D211-F214 HydrophobicContact CB-CE2 4.41Å; D211-F214 HydrophobicContact CB-CZ 3.72Å; F214-K217 PolarHBondContact O-NZ 3.39Å; F214-N250 HydrophobicContact CD2-CB 4.46Å; F214-N250 HydrophobicContact CG-CB 4.37Å; F214-N250 WeakPolarHBondContact CZ-O 3.3Å; F214-V253 HydrophobicContact CD1-CG2 4.46Å; F214-V253 HydrophobicContact CE1-CG2 4Å
215I97.8Very high97.2Very high119 Ų11946.4 Ų46.461%0.6123%0.229SC*.  trans-66-46.4-178.7-67.5169.9000110I143 N213I143-I215 HydrophobicContact CG2-CB 4.28Å; I143-I215 HydrophobicContact CG2-CD1 4.25Å; I143-I215 HydrophobicContact CG2-CG2 4.48Å; N213-I215 HydrophobicContact CB-CD1 4.5Å; N213-I215 HydrophobicContact CB-CG1 4.4Å; N213-I215 PolarHBondContact OD1-N 2.89Å
216I97.6Very high97.3Very high20 Ų2042.1 Ų42.110%0.10321%0.212CC..SBendtrans-74.8136.7178.2-59.6133.7000109.3Y140 I143 V144 A254Y140-I216 HydrophobicContact CD2-CD1 3.48Å; Y140-I216 VanDerWaalsContact CD2-CD1 3.48Å; Y140-I216 HydrophobicContact CD2-CG1 3.83Å; Y140-I216 HydrophobicContact CD2-CG2 4.19Å; Y140-I216 HydrophobicContact CE2-CD1 4.31Å; Y140-I216 HydrophobicContact CE2-CG1 4.2Å; Y140-I216 HydrophobicContact CE2-CG2 3.84Å; Y140-I216 HydrophobicContact CG-CD1 4.25Å; I143-I216 HydrophobicContact CB-CD1 4.05Å; I143-I216 HydrophobicContact CD1-CD1 4.06Å; I143-I216 HydrophobicContact CD1-CG1 4.1Å; I143-I216 HydrophobicContact CG2-CD1 3.69Å; I143-I216 HydrophobicContact CG2-CG1 4.32Å; V144-I216 HydrophobicContact CG2-CD1 4.38Å; I216-A254 HydrophobicContact CB-CB 3.84Å; I216-A254 WeakPolarHBondContact CD1-O 3.48Å; I216-A254 HydrophobicContact CG2-CB 3.5Å
217K97.9Very high97.3Very high74 Ų7442.3 Ų42.332%0.32221%0.212SC..  trans-106.1155.3-178.8-56.4-55.3-179.2-166.80111.6F214 D219 D249 N250F214-K217 PolarHBondContact O-NZ 3.39Å; K217-D219 HydrophobicContact CB-CB 4.3Å; K217-D219 PolarHBondContact O-N 3.11Å; K217-D219 VanDerWaalsContact O-N 3.14Å; K217-D249 WeakPolarHBondContact CA-OD1 3.26Å; K217-D249 HydrophobicContact CD-CB 4.27Å; K217-N250 PolarHBondContact NZ-OD1 3.04Å
218H97.8Very high97.4Very high1 Ų139.3 Ų39.31%0.00519%0.192CC..  trans-8853.3174.8-55.979.3000109.9S225 T241 A245 M248 D249 Y252H218-S225 WeakPolarHBondContact NE2-CB 3.39Å; H218-S225 PolarHBondContact NE2-OG 2.81Å; H218-T241 HydrophobicContact CB-CG2 4.33Å; H218-A245 HydrophobicContact CB-CB 4.22Å; H218-A245 WeakPolarHBondContact CB-O 3.29Å; H218-A245 CarbonylContact O-C 3.5Å; H218-A245 PolarHBondContact O-N 2.85Å; H218-M248 HydrophobicContact CB-CB 4.3Å; H218-D249 IonicContact CE1-OD1 3.23Å; H218-D249 IonicContact CG-OD1 2.69Å; H218-D249 PolarHBondContact N-OD1 2.98Å; H218-D249 IonicContact ND1-OD1 3.65Å; H218-D249 PolarHBondContact ND1-OD1 2.87Å; H218-Y252 PolarHBondContact CE1-O 3.41Å
219D95.2Very high97.2Very high81 Ų8141.6 Ų41.643%0.43321%0.211SC..  trans-86.5-9.7-16862.5-1.3000114.3K217 P244K217-D219 HydrophobicContact CB-CB 4.3Å; K217-D219 PolarHBondContact O-N 3.11Å; K217-D219 VanDerWaalsContact O-N 3.14Å; D219-P244 WeakPolarHBondContact O-CB 3.34Å; D219-P244 WeakPolarHBondContact O-CG 3.19Å
220R94.5Very high97Very high78 Ų7842.9 Ų42.929%0.29423%0.226SC..SBendtrans-149.7174.8-175.667.2-167.2178.8-85.73.1112.8D47 Y140 I223 T241D47-R220 WeakPolarHBondContact OD2-CD 3.45Å; Y140-R220 PolarHBondContact OH-NH2 2.76Å; R220-I223 HydrophobicContact CG-CD1 3.91Å; R220-I223 HydrophobicContact CG-CG1 4Å; R220-T241 PolarHBondContact O-OG1 2.82Å
221R95.6Very high96.8Very high45 Ų4546.4 Ų46.417%0.1723%0.234CC..THydrogen-bonded Turntrans-70.5145.5171.4-179.5-177.9-174.483.7-8.6109.7F43 L242 L265 D266 E269F43-R221 HydrophobicContact CE1-CG 4.18Å; R221-L242 WeakPolarHBondContact CG-O 3.4Å; R221-L242 PolarHBondContact NH1-O 2.86Å; R221-L265 HydrophobicContact CG-CD2 4.18Å; R221-D266 IonicContact CZ-OD1 3.54Å; R221-D266 IonicContact NE-OD1 3.38Å; R221-D266 IonicContact NH2-OD1 3.63Å; R221-D266 PolarHBondContact NH2-OD1 3.02Å; R221-E269 IonicContact CZ-OE2 3.13Å; R221-E269 IonicContact NH1-OE1 2.82Å; R221-E269 IonicContact NH1-OE2 3.95Å; R221-E269 PolarHBondContact NH1-OE2 2.93Å; R221-E269 IonicContact NH2-OE2 2.74Å; R221-E269 PolarHBondContact NH2-OE2 3.21Å
222G97.1Very high96.7Very high1 Ų148.5 Ų48.51%0.0124%0.244CC..THydrogen-bonded Turntrans88.56.5174.600000114.7L224 T241 S257 V258G222-L224 PolarHBondContact O-N 2.99Å; G222-T241 PolarHBondContact N-O 3.09Å; G222-T241 PolarHBondContact N-OG1 3.47Å; G222-S257 CarbonylContact O-C 3.46Å; G222-S257 WeakPolarHBondContact O-CA 3.11Å; G222-V258 PolarHBondContact O-N 3.19Å
223I98.1Very high96.7Very high0 Ų047.6 Ų47.60%024%0.242CC..EExtended strand (participates in β ladder)trans-72.4129.6174.9-60.2-58.9000109.8R220 I240 T241 A254R220-I223 HydrophobicContact CG-CD1 3.91Å; R220-I223 HydrophobicContact CG-CG1 4Å; I223-I240 CarbonylContact O-C 3.57Å; I223-I240 VanDerWaalsContact O-CA 3.32Å; I223-I240 WeakPolarHBondContact O-CA 3.17Å; I223-T241 HydrophobicContact CB-CG2 3.98Å; I223-T241 WeakPolarHBondContact CB-OG1 3.37Å; I223-T241 PolarHBondContact N-OG1 2.84Å; I223-T241 PolarHBondContact O-N 3.42Å; I223-A254 HydrophobicContact CG2-CB 3.76Å
224L98.7Very high96.8Very high0 Ų045.8 Ų45.80%023%0.232CC..EExtended strand (participates in β ladder)trans-87129.4171.6-58.8176.5000109.5L137 L139 G222 L239 I240 A254 F255 G256L137-L224 HydrophobicContact CB-CD1 3.95Å; L137-L224 HydrophobicContact CD1-CD1 4.01Å; L137-L224 HydrophobicContact CD1-CD2 4.44Å; L137-L224 HydrophobicContact CD2-CD1 4.2Å; L137-L224 HydrophobicContact CD2-CD2 4.2Å; L137-L224 HydrophobicContact CG-CD1 4.27Å; L139-L224 HydrophobicContact CD2-CD1 3.98Å; G222-L224 PolarHBondContact O-N 2.99Å; L224-L239 WeakPolarHBondContact CA-O 3.22Å; L224-I240 HydrophobicContact CD2-CB 4.38Å; L224-I240 HydrophobicContact CD2-CD1 3.97Å; L224-I240 HydrophobicContact CD2-CG1 3.67Å; L224-I240 HydrophobicContact CD2-CG2 4.3Å; L224-A254 CarbonylContact O-C 3.59Å; L224-A254 VanDerWaalsContact O-CA 3.3Å; L224-A254 WeakPolarHBondContact O-CA 3.37Å; L224-F255 HydrophobicContact CB-CD2 4.27Å; L224-F255 HydrophobicContact CB-CE1 4.16Å; L224-F255 HydrophobicContact CB-CE2 3.86Å; L224-F255 HydrophobicContact CB-CZ 3.8Å; L224-F255 HydrophobicContact CD1-CE2 4.12Å; L224-F255 PolarHBondContact O-N 3.21Å; L224-G256 PolarHBondContact N-O 3.36Å
225S98.7Very high96.8Very high0 Ų043.5 Ų43.50%023%0.225CC..EExtended strand (participates in β ladder)trans-142.9148.3-179.3-168.30000112.6H218 F238 L239 Y252 V253 F255H218-S225 WeakPolarHBondContact NE2-CB 3.39Å; H218-S225 PolarHBondContact NE2-OG 2.81Å; S225-F238 CarbonylContact O-C 3.44Å; S225-F238 VanDerWaalsContact O-CA 3.26Å; S225-F238 WeakPolarHBondContact O-CA 3.3Å; S225-F238 WeakPolarHBondContact O-CB 3.18Å; S225-L239 PolarHBondContact N-O 3.34Å; S225-L239 PolarHBondContact O-N 2.84Å; S225-Y252 VanDerWaalsContact OG-CB 3.32Å; S225-Y252 WeakPolarHBondContact OG-CB 3.15Å; S225-V253 WeakPolarHBondContact CA-O 3.3Å; S225-V253 PolarHBondContact OG-O 3Å; S225-F255 VanDerWaalsContact C-CE1 3.4Å
226M98.6Very high96.8Very high0 Ų037.8 Ų37.80%020%0.196CC..EExtended strand (participates in β ladder)trans-70.5134.3176-66.8-54.1-57.500110T147 F209 N234 G235 Q237 Y252 V253 F255T147-M226 HydrophobicContact CG2-CG 3.53Å; T147-M226 HydrophobicContact CG2-SD 3.88Å; F209-M226 HydrophobicContact CE1-CE 4.06Å; F209-M226 HydrophobicContact CZ-CE 4.11Å; F209-M226 HydrophobicContact CZ-CG 4.38Å; F209-M226 HydrophobicContact CZ-SD 4.41Å; M226-N234 HydrophobicContact CB-CB 4.35Å; M226-N234 VanDerWaalsContact CB-OD1 3.29Å; M226-N234 WeakPolarHBondContact CB-OD1 3.5Å; M226-N234 HydrophobicContact CE-CB 4.2Å; M226-N234 HydrophobicContact CG-CB 4.42Å; M226-G235 VanDerWaalsContact CE-O 3.26Å; M226-G235 WeakPolarHBondContact CE-O 3.02Å; M226-Q237 WeakPolarHBondContact CE-O 3.43Å; M226-Y252 WeakPolarHBondContact O-CD1 3.4Å; M226-V253 HydrophobicContact CB-CB 4.47Å; M226-V253 HydrophobicContact CG-CB 4.35Å; M226-V253 PolarHBondContact N-O 3.3Å; M226-F255 HydrophobicContact CG-CD1 3.89Å; M226-F255 HydrophobicContact CG-CE1 4.08Å; M226-F255 HydrophobicContact SD-CD1 3.85Å; M226-F255 HydrophobicContact SD-CE1 3.55Å; M226-F255 VanDerWaalsContact SD-CE1 3.55Å; M226-F255 HydrophobicContact SD-CZ 4.31Å
227A97.4Very high96.9Very high12 Ų1238.1 Ų38.110%0.09920%0.197CC..  trans-88.7127.5166.300000108.8Q189 Q237Q189-A227 HydrophobicContact CG-CB 4.42Å; A227-Q237 HydrophobicContact CB-CB 3.86Å; A227-Q237 PolarHBondContact N-O 2.83Å
228N96Very high96.9Very high22 Ų2234.6 Ų34.612%0.11818%0.181CC..  trans-131.9167.5-179.769.637.8000111.3G230 H251 Y252N228-G230 PolarHBondContact OD1-N 3.01Å; N228-G230 VanDerWaalsContact OD1-N 3.16Å; N228-G230 PolarHBondContact OD1-O 3.47Å; N228-H251 PolarHBondContact ND2-O 3.22Å; N228-Y252 WeakPolarHBondContact OD1-CE1 3.39Å
229S93.4Very high96.9Very high123 Ų12334.8 Ų34.886%0.8618%0.182SC*.SBendtrans-104.427.1176-58.50000111.8T233S229-T233 WeakPolarHBondContact CA-OG1 3.34Å; S229-T233 PolarHBondContact N-OG1 3.37Å
230G93.8Very high97.1Very high33 Ų3330.9 Ų30.934%0.3416%0.162SC..SBendtrans122.8177.8-170.300000112.3N228 H232 T233N228-G230 PolarHBondContact OD1-N 3.01Å; N228-G230 VanDerWaalsContact OD1-N 3.16Å; N228-G230 PolarHBondContact OD1-O 3.47Å; G230-H232 PolarHBondContact O-N 3.46Å; G230-T233 PolarHBondContact N-OG1 3.29Å; G230-T233 PolarHBondContact O-N 3.49Å; G230-T233 PolarHBondContact O-OG1 2.92Å
231R94.8Very high97.3Very high191 Ų19127.2 Ų27.272%0.72115%0.148SC*.THydrogen-bonded Turntrans-53.6133.4-174.9-161.4-175.2170.1-174.8-7.2111.7D211 T233D211-R231 WeakPolarHBondContact OD2-CA 3.4Å; D211-R231 VanDerWaalsContact OD2-CG 3.26Å; D211-R231 WeakPolarHBondContact OD2-CG 3.49Å; R231-T233 VanDerWaalsContact C-N 3.3Å; R231-T233 PolarHBondContact O-N 3.12Å
232H96.7Very high97.4Very high62 Ų6225.3 Ų25.329%0.28714%0.141SC..THydrogen-bonded Turntrans59.632.3176.6-53-55.6000115.2F209 E210 D211 G230F209-H232 CarbonylContact O-C 3.28Å; E210-H232 HydrophobicContact CB-CB 4.23Å; E210-H232 WeakPolarHBondContact CB-ND1 3.19Å; E210-H232 HydrophobicContact CG-CB 4.04Å; D211-H232 PolarHBondContact N-ND1 3.41Å; D211-H232 IonicContact OD2-CE1 3.89Å; D211-H232 IonicContact OD2-CG 3.79Å; D211-H232 PolarHBondContact OD2-N 2.81Å; D211-H232 IonicContact OD2-ND1 3.37Å; G230-H232 PolarHBondContact O-N 3.46Å
233T97.6Very high97.3Very high43 Ų4326.3 Ų26.326%0.26415%0.149SC..  trans-118.333.5178.163.40000113.3S229 G230 R231 G235S229-T233 WeakPolarHBondContact CA-OG1 3.34Å; S229-T233 PolarHBondContact N-OG1 3.37Å; G230-T233 PolarHBondContact N-OG1 3.29Å; G230-T233 PolarHBondContact O-N 3.49Å; G230-T233 PolarHBondContact O-OG1 2.92Å; R231-T233 VanDerWaalsContact C-N 3.3Å; R231-T233 PolarHBondContact O-N 3.12Å; T233-G235 PolarHBondContact O-N 2.89Å
234N98Very high97.2Very high0 Ų030.2 Ų30.20%017%0.174CC..BIsolated β-bridgetrans-71.2130.1-179.7-59-60.2000110.4V208 F209 D211 M226V208-N234 CarbonylContact C-O 3.48Å; V208-N234 WeakPolarHBondContact CA-O 3.47Å; V208-N234 WeakPolarHBondContact CB-O 3.13Å; F209-N234 HydrophobicContact CD1-CB 3.69Å; F209-N234 WeakPolarHBondContact CD1-O 3.25Å; F209-N234 HydrophobicContact CD2-CB 4.21Å; F209-N234 HydrophobicContact CE1-CB 3.31Å; F209-N234 WeakPolarHBondContact CE1-O 3.44Å; F209-N234 HydrophobicContact CE2-CB 3.88Å; F209-N234 HydrophobicContact CG-CB 4.13Å; F209-N234 HydrophobicContact CZ-CB 3.42Å; F209-N234 VanDerWaalsContact CZ-CB 3.42Å; F209-N234 PolarHBondContact N-O 3.07Å; F209-N234 PolarHBondContact O-N 3.01Å; F209-N234 VanDerWaalsContact O-N 3.09Å; F209-N234 PolarHBondContact O-ND2 3.21Å; D211-N234 PolarHBondContact N-ND2 2.64Å; D211-N234 PolarHBondContact OD1-ND2 3.26Å; M226-N234 HydrophobicContact CB-CB 4.35Å; M226-N234 VanDerWaalsContact CB-OD1 3.29Å; M226-N234 WeakPolarHBondContact CB-OD1 3.5Å; M226-N234 HydrophobicContact CE-CB 4.2Å; M226-N234 HydrophobicContact CG-CB 4.42Å
235G97.6Very high97.1Very high8 Ų830.3 Ų30.38%0.08218%0.175CC..  trans-117.8-127.6-179.700000112.2N150 M226 T233N150-G235 PolarHBondContact ND2-O 2.96Å; M226-G235 VanDerWaalsContact CE-O 3.26Å; M226-G235 WeakPolarHBondContact CE-O 3.02Å; T233-G235 PolarHBondContact O-N 2.89Å
236S98.1Very high97Very high0 Ų037 Ų370%021%0.207CC..SBendtrans-98.1-17.9170.857.20000113.4Y174 G191 G201 R202Y174-S236 WeakPolarHBondContact CE1-O 3.45Å; Y174-S236 VanDerWaalsContact CZ-O 3.3Å; Y174-S236 PolarHBondContact OH-O 2.74Å; G191-S236 CarbonylContact O-C 3.52Å; G191-S236 VanDerWaalsContact O-C 3.28Å; G191-S236 VanDerWaalsContact O-CB 3.23Å; G191-S236 WeakPolarHBondContact O-CB 3.27Å; G191-S236 PolarHBondContact O-OG 3.35Å; G201-S236 WeakPolarHBondContact CA-OG 3.47Å; R202-S236 PolarHBondContact N-OG 2.84Å; R202-S236 WeakPolarHBondContact O-CB 3.22Å
237Q98.6Very high96.9Very high26 Ų2644 Ų4412%0.12123%0.233CC..  trans-72.4142.2-176.4-63.4-172.623.800111.4F180 G190 D192 G198 D200 M226 A227F180-Q237 HydrophobicContact CZ-CG 4.33Å; G190-Q237 VanDerWaalsContact O-CA 3.3Å; G190-Q237 WeakPolarHBondContact O-CA 3.35Å; D192-Q237 HydrophobicContact CB-CG 4.47Å; G198-Q237 PolarHBondContact O-NE2 3.37Å; D200-Q237 PolarHBondContact O-NE2 2.86Å; M226-Q237 WeakPolarHBondContact CE-O 3.43Å; A227-Q237 HydrophobicContact CB-CB 3.86Å; A227-Q237 PolarHBondContact N-O 2.83Å
238F98.6Very high96.9Very high0 Ų043.5 Ų43.50%023%0.229CC..EExtended strand (participates in β ladder)trans-141.7162.6179.769.8-84.8000110.4M123 F151 Y174 F179 Q189 G190 S225 I240 F255 I284M123-F238 HydrophobicContact CE-CZ 4.28Å; F151-F238 HydrophobicContact CD2-CD1 4.34Å; F151-F238 HydrophobicContact CD2-CG 4.38Å; F151-F238 HydrophobicContact CE2-CB 4.3Å; F151-F238 AromaticContact CE2-CD1 3.67Å; F151-F238 HydrophobicContact CE2-CD1 3.67Å; F151-F238 AromaticContact CE2-CD2 3.94Å; F151-F238 HydrophobicContact CE2-CD2 3.94Å; F151-F238 AromaticContact CE2-CE1 3.87Å; F151-F238 HydrophobicContact CE2-CE1 3.87Å; F151-F238 HydrophobicContact CE2-CE2 4.13Å; F151-F238 AromaticContact CE2-CG 3.7Å; F151-F238 HydrophobicContact CE2-CG 3.7Å; F151-F238 HydrophobicContact CE2-CZ 4.1Å; F151-F238 HydrophobicContact CZ-CE2 4.43Å; F151-F238 HydrophobicContact CZ-CZ 4.41Å; Y174-F238 HydrophobicContact CD1-CE1 4.24Å; Y174-F238 HydrophobicContact CE1-CD1 4.08Å; Y174-F238 HydrophobicContact CE1-CE1 4.01Å; Y174-F238 HydrophobicContact CE2-CD1 4.48Å; Y174-F238 HydrophobicContact CE2-CE1 4.35Å; Y174-F238 AromaticContact CZ-CD1 3.91Å; F179-F238 AromaticContact CE1-CE2 3.78Å; F179-F238 HydrophobicContact CE1-CE2 3.78Å; F179-F238 AromaticContact CE1-CZ 3.83Å; F179-F238 HydrophobicContact CE1-CZ 3.83Å; F179-F238 HydrophobicContact CZ-CE2 4.21Å; F179-F238 HydrophobicContact CZ-CZ 4.01Å; Q189-F238 WeakPolarHBondContact CA-O 3.31Å; Q189-F238 WeakPolarHBondContact CG-O 3.35Å; G190-F238 PolarHBondContact N-O 3.41Å; G190-F238 PolarHBondContact O-N 3.18Å; S225-F238 CarbonylContact O-C 3.44Å; S225-F238 VanDerWaalsContact O-CA 3.26Å; S225-F238 WeakPolarHBondContact O-CA 3.3Å; S225-F238 WeakPolarHBondContact O-CB 3.18Å; F238-I240 HydrophobicContact CD2-CG1 4.43Å; F238-I240 HydrophobicContact CE2-CD1 4.42Å; F238-I240 HydrophobicContact CE2-CG1 4.2Å; F238-F255 HydrophobicContact CB-CE1 4.25Å; F238-F255 HydrophobicContact CB-CZ 4.18Å; F238-I284 HydrophobicContact CZ-CD1 4.34Å
239L98.3Very high97Very high5 Ų543.7 Ų43.73%0.02623%0.229CC..EExtended strand (participates in β ladder)trans-127.2154.9173.765.586000111.6W187 I188 Q189 L224 S225 T241 M248W187-L239 HydrophobicContact CB-CB 4.32Å; W187-L239 HydrophobicContact CB-CD1 4.2Å; W187-L239 HydrophobicContact CG-CB 4.27Å; W187-L239 HydrophobicContact CG-CD2 4.44Å; I188-L239 CarbonylContact O-C 3.57Å; I188-L239 WeakPolarHBondContact O-CA 3.28Å; Q189-L239 HydrophobicContact CB-CB 4.43Å; L224-L239 WeakPolarHBondContact CA-O 3.22Å; S225-L239 PolarHBondContact N-O 3.34Å; S225-L239 PolarHBondContact O-N 2.84Å; L239-T241 HydrophobicContact CD1-CG2 4.03Å; L239-M248 HydrophobicContact CD1-CE 4.28Å; L239-M248 HydrophobicContact CD1-SD 3.95Å; L239-M248 HydrophobicContact CD2-CE 3.95Å; L239-M248 HydrophobicContact CD2-SD 4.03Å
240I98.6Very high97.1Very high0 Ų042.4 Ų42.40%021%0.213CC..EExtended strand (participates in β ladder)trans-116.2123.8167.8-43.6-171.8000107.1L135 F179 W187 I188 I223 L224 F238 V258 L265L135-I240 HydrophobicContact CD1-CD1 3.97Å; F179-I240 HydrophobicContact CE1-CD1 4.29Å; F179-I240 HydrophobicContact CZ-CD1 4.48Å; W187-I240 CarbonylContact C-O 3.57Å; W187-I240 VanDerWaalsContact CA-O 3.26Å; W187-I240 WeakPolarHBondContact CA-O 3.47Å; W187-I240 WeakPolarHBondContact CB-O 3.26Å; I188-I240 HydrophobicContact CG2-CB 3.76Å; I188-I240 HydrophobicContact CG2-CG1 4.19Å; I188-I240 PolarHBondContact N-O 2.94Å; I188-I240 PolarHBondContact O-N 3.33Å; I223-I240 CarbonylContact O-C 3.57Å; I223-I240 VanDerWaalsContact O-CA 3.32Å; I223-I240 WeakPolarHBondContact O-CA 3.17Å; L224-I240 HydrophobicContact CD2-CB 4.38Å; L224-I240 HydrophobicContact CD2-CD1 3.97Å; L224-I240 HydrophobicContact CD2-CG1 3.67Å; L224-I240 HydrophobicContact CD2-CG2 4.3Å; F238-I240 HydrophobicContact CD2-CG1 4.43Å; F238-I240 HydrophobicContact CE2-CD1 4.42Å; F238-I240 HydrophobicContact CE2-CG1 4.2Å; I240-V258 HydrophobicContact CD1-CG2 4.41Å; I240-V258 HydrophobicContact CG2-CG2 3.71Å; I240-L265 HydrophobicContact CG2-CD1 4.29Å; I240-L265 HydrophobicContact CG2-CD2 4.26Å
241T98.4Very high97.2Very high0 Ų046.4 Ų46.40%022%0.223CC..EExtended strand (participates in β ladder)trans-67.6137.6177.260.90000110.7H218 R220 G222 I223 L239 A243 A245 M248H218-T241 HydrophobicContact CB-CG2 4.33Å; R220-T241 PolarHBondContact O-OG1 2.82Å; G222-T241 PolarHBondContact N-O 3.09Å; G222-T241 PolarHBondContact N-OG1 3.47Å; I223-T241 HydrophobicContact CB-CG2 3.98Å; I223-T241 WeakPolarHBondContact CB-OG1 3.37Å; I223-T241 PolarHBondContact N-OG1 2.84Å; I223-T241 PolarHBondContact O-N 3.42Å; L239-T241 HydrophobicContact CD1-CG2 4.03Å; T241-A243 WeakPolarHBondContact CB-O 3.39Å; T241-A245 HydrophobicContact CG2-CB 4.35Å; T241-M248 HydrophobicContact CG2-SD 4.47Å
242L97.4Very high97.4Very high6 Ų640.2 Ų40.23%0.03120%0.2CC..SBendtrans-102.1-16.5174.4-62.3176.4000111.4L182 G186 I188 R221 L265 E269L182-L242 HydrophobicContact CD1-CD1 3.48Å; L182-L242 VanDerWaalsContact CD1-CD1 3.48Å; G186-L242 PolarHBondContact O-N 2.61Å; I188-L242 HydrophobicContact CB-CD1 4.27Å; I188-L242 HydrophobicContact CG2-CD2 4.25Å; R221-L242 WeakPolarHBondContact CG-O 3.4Å; R221-L242 PolarHBondContact NH1-O 2.86Å; L242-L265 HydrophobicContact CD2-CD1 3.77Å; L242-L265 HydrophobicContact CD2-CD2 4.06Å; L242-L265 HydrophobicContact CD2-CG 3.73Å; L242-E269 HydrophobicContact CD1-CB 4.1Å; L242-E269 HydrophobicContact CD1-CG 3.92Å; L242-E269 HydrophobicContact CD2-CB 4.37Å
243A95.4Very high97.5Very high21 Ų2137.3 Ų37.317%0.17419%0.186CC..SBendtrans-147.8168.3171.400000109.3N185 G186 T241 A245N185-A243 WeakPolarHBondContact O-CB 3.12Å; G186-A243 PolarHBondContact O-N 2.92Å; T241-A243 WeakPolarHBondContact CB-O 3.39Å; A243-A245 PolarHBondContact O-N 2.86Å
244P95.9Very high97.5Very high82 Ų8235.4 Ų35.453%0.53218%0.175SC..  trans-50.9131.4166.9-24.233000111.1D219D219-P244 WeakPolarHBondContact O-CB 3.34Å; D219-P244 WeakPolarHBondContact O-CG 3.19Å
245A97.1Very high97.5Very high3 Ų335.4 Ų35.43%0.02518%0.175CC..  trans-136.653.1-17300000110.9H218 T241 A243 W247 M248H218-A245 HydrophobicContact CB-CB 4.22Å; H218-A245 WeakPolarHBondContact CB-O 3.29Å; H218-A245 CarbonylContact O-C 3.5Å; H218-A245 PolarHBondContact O-N 2.85Å; T241-A245 HydrophobicContact CG2-CB 4.35Å; A243-A245 PolarHBondContact O-N 2.86Å; A245-W247 PolarHBondContact O-N 3.37Å; A245-M248 HydrophobicContact CB-CE 4.16Å; A245-M248 HydrophobicContact CB-CG 4.07Å; A245-M248 HydrophobicContact CB-SD 3.83Å; A245-M248 VanDerWaalsContact O-CB 3.24Å; A245-M248 WeakPolarHBondContact O-CB 3.2Å; A245-M248 PolarHBondContact O-N 2.89Å
246E97.1Very high97.6Very high141 Ų14135 Ų3566%0.65917%0.171SC*.G310 helixtrans-52.7-26.4-176.8-62.3177-175.400114.2M248 D249E246-M248 PolarHBondContact O-N 2.93Å; E246-D249 VanDerWaalsContact O-CB 3.22Å; E246-D249 WeakPolarHBondContact O-CB 3.31Å; E246-D249 PolarHBondContact O-N 2.81Å
247W96.6Very high97.6Very high147 Ų14735.4 Ų35.456%0.55717%0.174SC*.G310 helixtrans-63.1-18.9174.962.9-93.4000113.5W187 A245 D249 Y252W187-W247 HydrophobicContact CE3-CH2 4.32Å; W187-W247 AromaticContact CE3-CZ2 3.94Å; W187-W247 HydrophobicContact CE3-CZ2 3.94Å; W187-W247 HydrophobicContact CH2-CH2 4.06Å; W187-W247 HydrophobicContact CH2-CZ2 4.24Å; W187-W247 AromaticContact CZ3-CH2 3.82Å; W187-W247 HydrophobicContact CZ3-CH2 3.82Å; W187-W247 AromaticContact CZ3-CZ2 3.55Å; W187-W247 HydrophobicContact CZ3-CZ2 3.55Å; A245-W247 PolarHBondContact O-N 3.37Å; W247-D249 VanDerWaalsContact C-N 3.32Å; W247-Y252 HydrophobicContact CZ3-CE2 4.05Å
248M97.4Very high97.5Very high1 Ų134.2 Ų34.21%0.00517%0.168CC..G310 helixtrans-77.9-17.5173.5-66.8-175177.900112.8W187 H218 L239 T241 A245 E246 H251 Y252W187-M248 HydrophobicContact CB-CE 4.15Å; W187-M248 HydrophobicContact CD2-CE 3.73Å; W187-M248 HydrophobicContact CE3-CE 3.6Å; W187-M248 HydrophobicContact CG-CE 3.98Å; W187-M248 HydrophobicContact CZ3-CE 4.29Å; H218-M248 HydrophobicContact CB-CB 4.3Å; L239-M248 HydrophobicContact CD1-CE 4.28Å; L239-M248 HydrophobicContact CD1-SD 3.95Å; L239-M248 HydrophobicContact CD2-CE 3.95Å; L239-M248 HydrophobicContact CD2-SD 4.03Å; T241-M248 HydrophobicContact CG2-SD 4.47Å; A245-M248 HydrophobicContact CB-CE 4.16Å; A245-M248 HydrophobicContact CB-CG 4.07Å; A245-M248 HydrophobicContact CB-SD 3.83Å; A245-M248 VanDerWaalsContact O-CB 3.24Å; A245-M248 WeakPolarHBondContact O-CB 3.2Å; A245-M248 PolarHBondContact O-N 2.89Å; E246-M248 PolarHBondContact O-N 2.93Å; M248-H251 PolarHBondContact O-N 2.55Å; M248-H251 VanDerWaalsContact O-N 3.16Å; M248-Y252 HydrophobicContact CB-CD2 3.63Å; M248-Y252 HydrophobicContact CB-CE2 4.33Å; M248-Y252 HydrophobicContact CG-CD2 3.84Å; M248-Y252 HydrophobicContact CG-CE2 4.15Å; M248-Y252 PolarHBondContact O-N 2.83Å
249D96.9Very high97.3Very high25 Ų2534.6 Ų34.613%0.13417%0.17CC..THydrogen-bonded Turntrans-63.1140.8-175.3-67.4-22000111.4K217 H218 E246 W247 H251K217-D249 WeakPolarHBondContact CA-OD1 3.26Å; K217-D249 HydrophobicContact CD-CB 4.27Å; H218-D249 IonicContact CE1-OD1 3.23Å; H218-D249 IonicContact CG-OD1 2.69Å; H218-D249 PolarHBondContact N-OD1 2.98Å; H218-D249 IonicContact ND1-OD1 3.65Å; H218-D249 PolarHBondContact ND1-OD1 2.87Å; E246-D249 VanDerWaalsContact O-CB 3.22Å; E246-D249 WeakPolarHBondContact O-CB 3.31Å; E246-D249 PolarHBondContact O-N 2.81Å; W247-D249 VanDerWaalsContact C-N 3.32Å; D249-H251 PolarHBondContact O-N 2.9Å; D249-H251 VanDerWaalsContact O-N 3.17Å; D249-H251 PolarHBondContact O-ND1 3.01Å
250N95.9Very high97.1Very high97 Ų9735.1 Ų35.152%0.51917%0.173SC..THydrogen-bonded Turntrans64.47.9-176.2-42.4-57.4000115.3F214 K217F214-N250 HydrophobicContact CD2-CB 4.46Å; F214-N250 HydrophobicContact CG-CB 4.37Å; F214-N250 WeakPolarHBondContact CZ-O 3.3Å; K217-N250 PolarHBondContact NZ-OD1 3.04Å
251H96.8Very high97Very high117 Ų11735.6 Ų35.654%0.54218%0.177SC..THydrogen-bonded Turntrans-119.6-39176.3-61.185.3000111.8N228 M248 D249N228-H251 PolarHBondContact ND2-O 3.22Å; M248-H251 PolarHBondContact O-N 2.55Å; M248-H251 VanDerWaalsContact O-N 3.16Å; D249-H251 PolarHBondContact O-N 2.9Å; D249-H251 VanDerWaalsContact O-N 3.17Å; D249-H251 PolarHBondContact O-ND1 3.01Å
252Y98Very high96.7Very high61 Ų6136.7 Ų36.724%0.23919%0.185CC..SBendtrans-116.6137.6178.8-55.8-79.4000110.1H218 S225 M226 N228 W247 M248 A254H218-Y252 PolarHBondContact CE1-O 3.41Å; S225-Y252 VanDerWaalsContact OG-CB 3.32Å; S225-Y252 WeakPolarHBondContact OG-CB 3.15Å; M226-Y252 WeakPolarHBondContact O-CD1 3.4Å; N228-Y252 WeakPolarHBondContact OD1-CE1 3.39Å; W247-Y252 HydrophobicContact CZ3-CE2 4.05Å; M248-Y252 HydrophobicContact CB-CD2 3.63Å; M248-Y252 HydrophobicContact CB-CE2 4.33Å; M248-Y252 HydrophobicContact CG-CD2 3.84Å; M248-Y252 HydrophobicContact CG-CE2 4.15Å; M248-Y252 PolarHBondContact O-N 2.83Å; Y252-A254 PolarHBondContact O-N 2.83Å
253V98.5Very high96.4Very high0 Ų041.9 Ų41.90%021%0.212CC..  trans-82.7106.2-179.6179.80000108.9V144 T147 D211 F214 S225 M226V144-V253 HydrophobicContact CG1-CG1 4.2Å; T147-V253 HydrophobicContact CG2-CG1 4.04Å; D211-V253 HydrophobicContact CB-CG2 3.76Å; F214-V253 HydrophobicContact CD1-CG2 4.46Å; F214-V253 HydrophobicContact CE1-CG2 4Å; S225-V253 WeakPolarHBondContact CA-O 3.3Å; S225-V253 PolarHBondContact OG-O 3Å; M226-V253 HydrophobicContact CB-CB 4.47Å; M226-V253 HydrophobicContact CG-CB 4.35Å; M226-V253 PolarHBondContact N-O 3.3Å
254A98.6Very high96.5Very high3 Ų341.4 Ų41.43%0.02521%0.207CC..EExtended strand (participates in β ladder)trans-71.9132.2167.600000109.8I216 I223 L224 Y252I216-A254 HydrophobicContact CB-CB 3.84Å; I216-A254 WeakPolarHBondContact CD1-O 3.48Å; I216-A254 HydrophobicContact CG2-CB 3.5Å; I223-A254 HydrophobicContact CG2-CB 3.76Å; L224-A254 CarbonylContact O-C 3.59Å; L224-A254 VanDerWaalsContact O-CA 3.3Å; L224-A254 WeakPolarHBondContact O-CA 3.37Å; Y252-A254 PolarHBondContact O-N 2.83Å
255F98.5Very high96.5Very high0 Ų037.5 Ų37.50%018%0.182CC..EExtended strand (participates in β ladder)trans-135.62.9-170.568.4-96.1000115L139 Y140 V144 T147 C148 F151 L224 S225 M226 F238L139-F255 HydrophobicContact CD2-CD2 4.12Å; L139-F255 HydrophobicContact CD2-CE2 4Å; Y140-F255 PolarHBondContact N-O 3.11Å; V144-F255 HydrophobicContact CG2-CB 3.64Å; T147-F255 HydrophobicContact CG2-CB 3.6Å; T147-F255 HydrophobicContact CG2-CD1 3.95Å; T147-F255 HydrophobicContact CG2-CG 3.88Å; C148-F255 PolarHBondContact SG-O 3.23Å; C148-F255 VanDerWaalsContact SG-O 3.33Å; F151-F255 HydrophobicContact CB-CD2 4.44Å; F151-F255 HydrophobicContact CB-CE2 3.85Å; F151-F255 HydrophobicContact CB-CZ 4.3Å; F151-F255 AromaticContact CD1-CE2 3.95Å; F151-F255 HydrophobicContact CD1-CE2 3.95Å; F151-F255 AromaticContact CD2-CE2 3.61Å; F151-F255 HydrophobicContact CD2-CE2 3.61Å; F151-F255 AromaticContact CD2-CZ 3.43Å; F151-F255 HydrophobicContact CD2-CZ 3.43Å; F151-F255 VanDerWaalsContact CD2-CZ 3.43Å; F151-F255 HydrophobicContact CE1-CE2 4.39Å; F151-F255 HydrophobicContact CE2-CE2 4.1Å; F151-F255 AromaticContact CE2-CZ 3.81Å; F151-F255 HydrophobicContact CE2-CZ 3.81Å; F151-F255 HydrophobicContact CG-CD2 4.5Å; F151-F255 AromaticContact CG-CE2 3.52Å; F151-F255 HydrophobicContact CG-CE2 3.52Å; F151-F255 AromaticContact CG-CZ 3.86Å; F151-F255 HydrophobicContact CG-CZ 3.86Å; F151-F255 HydrophobicContact CZ-CE2 4.47Å; L224-F255 HydrophobicContact CB-CD2 4.27Å; L224-F255 HydrophobicContact CB-CE1 4.16Å; L224-F255 HydrophobicContact CB-CE2 3.86Å; L224-F255 HydrophobicContact CB-CZ 3.8Å; L224-F255 HydrophobicContact CD1-CE2 4.12Å; L224-F255 PolarHBondContact O-N 3.21Å; S225-F255 VanDerWaalsContact C-CE1 3.4Å; M226-F255 HydrophobicContact CG-CD1 3.89Å; M226-F255 HydrophobicContact CG-CE1 4.08Å; M226-F255 HydrophobicContact SD-CD1 3.85Å; M226-F255 HydrophobicContact SD-CE1 3.55Å; M226-F255 VanDerWaalsContact SD-CE1 3.55Å; M226-F255 HydrophobicContact SD-CZ 4.31Å; F238-F255 HydrophobicContact CB-CE1 4.25Å; F238-F255 HydrophobicContact CB-CZ 4.18Å
256G98.3Very high96.4Very high0 Ų040.2 Ų40.20%020%0.196CC..EExtended strand (participates in β ladder)trans178.3-172.8179.300000112.8E138 Y140 L224E138-G256 CarbonylContact O-C 3.5Å; E138-G256 WeakPolarHBondContact O-CA 3.49Å; Y140-G256 VanDerWaalsContact CD2-CA 3.48Å; L224-G256 PolarHBondContact N-O 3.36Å
257S97.6Very high96.5Very high8 Ų838.6 Ų38.66%0.05619%0.187CC..EExtended strand (participates in β ladder)trans-146.2155173.252.30000112.7L137 E138 Y140 G222L137-S257 CarbonylContact C-O 3.58Å; L137-S257 WeakPolarHBondContact CA-O 3.27Å; E138-S257 PolarHBondContact N-O 3.21Å; E138-S257 PolarHBondContact O-N 2.72Å; Y140-S257 WeakPolarHBondContact OH-CB 3.32Å; Y140-S257 PolarHBondContact OH-OG 2.89Å; G222-S257 CarbonylContact O-C 3.46Å; G222-S257 WeakPolarHBondContact O-CA 3.11Å
258V97.1Very high96.5Very high2 Ų231.6 Ų31.61%0.01216%0.16CC..EExtended strand (participates in β ladder)trans-71.7127.9161.6-170.30000107.9F43 L135 L136 L137 G222 I240 E260F43-V258 HydrophobicContact CD2-CB 4.37Å; F43-V258 HydrophobicContact CD2-CG1 4.03Å; F43-V258 HydrophobicContact CE1-CB 4.11Å; F43-V258 HydrophobicContact CE1-CG1 4.35Å; F43-V258 HydrophobicContact CE2-CB 3.96Å; F43-V258 HydrophobicContact CE2-CG1 3.37Å; F43-V258 WeakPolarHBondContact CG-O 3.5Å; F43-V258 HydrophobicContact CZ-CB 3.82Å; F43-V258 HydrophobicContact CZ-CG1 3.57Å; L135-V258 HydrophobicContact CD2-CG1 4.14Å; L136-V258 WeakPolarHBondContact O-CA 3.35Å; L137-V258 HydrophobicContact CD2-CB 4.25Å; L137-V258 HydrophobicContact CD2-CG1 4.35Å; L137-V258 HydrophobicContact CD2-CG2 3.69Å; G222-V258 PolarHBondContact O-N 3.19Å; I240-V258 HydrophobicContact CD1-CG2 4.41Å; I240-V258 HydrophobicContact CG2-CG2 3.71Å; V258-E260 WeakPolarHBondContact CG1-O 3.46Å
259I95.2Very high96.6Very high7 Ų732.7 Ų32.74%0.03617%0.165CC..EExtended strand (participates in β ladder)trans-108.5-29.6177.159.6166.7000112.5F41 E42 F43 L113 L136 E138F41-I259 HydrophobicContact CB-CB 4.29Å; F41-I259 HydrophobicContact CD2-CB 4.43Å; F41-I259 HydrophobicContact CG-CB 4.33Å; F41-I259 HydrophobicContact CZ-CD1 4.47Å; E42-I259 PolarHBondContact N-O 2.66Å; F43-I259 PolarHBondContact N-O 3.04Å; L113-I259 HydrophobicContact CD2-CD1 3.77Å; L136-I259 HydrophobicContact CB-CG1 4.07Å; L136-I259 HydrophobicContact CD2-CD1 3.62Å; L136-I259 HydrophobicContact CD2-CG1 3.87Å; L136-I259 HydrophobicContact CG-CD1 3.86Å; L136-I259 HydrophobicContact CG-CG1 3.75Å; L136-I259 WeakPolarHBondContact O-CG1 3.3Å; L136-I259 PolarHBondContact O-N 2.61Å; E138-I259 HydrophobicContact CB-CD1 4.47Å; E138-I259 HydrophobicContact CB-CG2 3.73Å
260E94.6Very high96.6Very high17 Ų1738.1 Ų38.18%0.07919%0.19CC..EExtended strand (participates in β ladder)trans-137.2155.4172.9-55-73.715400110.5H10 E42 Y109 L136 V258H10-E260 IonicContact CE1-OE1 2.72Å; H10-E260 IonicContact CE1-OE2 2.74Å; H10-E260 PolarHBondContact CE1-OE2 3.27Å; H10-E260 IonicContact ND1-OE1 3.38Å; H10-E260 IonicContact ND1-OE2 3.99Å; E42-E260 VanDerWaalsContact CB-OE2 3.24Å; E42-E260 WeakPolarHBondContact CB-OE2 3.35Å; E42-E260 PolarHBondContact N-OE1 3.29Å; E42-E260 WeakPolarHBondContact OE2-CA 3.35Å; Y109-E260 HydrophobicContact CE2-CG 4.34Å; Y109-E260 WeakPolarHBondContact OH-CG 3.09Å; L136-E260 HydrophobicContact CB-CB 3.79Å; L136-E260 HydrophobicContact CB-CG 4.27Å; L136-E260 HydrophobicContact CD2-CB 4.45Å; L136-E260 HydrophobicContact CD2-CG 4.03Å; L136-E260 PolarHBondContact N-O 3.4Å; L136-E260 PolarHBondContact O-N 3.17Å; V258-E260 WeakPolarHBondContact CG1-O 3.46Å
261G94.7Very high96.7Very high10 Ų1034 Ų3410%0.10317%0.168CC..  trans103.333.6-178.100000114.1E42 I134 L135 L263 T264 L265E42-G261 PolarHBondContact OE2-N 2.98Å; I134-G261 VanDerWaalsContact O-CA 3.26Å; I134-G261 WeakPolarHBondContact O-CA 3.38Å; L135-G261 WeakPolarHBondContact CD2-O 3.21Å; G261-L263 PolarHBondContact O-N 3.11Å; G261-T264 VanDerWaalsContact O-CB 3.3Å; G261-T264 WeakPolarHBondContact O-CB 3.21Å; G261-T264 PolarHBondContact O-N 2.72Å; G261-T264 VanDerWaalsContact O-N 3.09Å; G261-L265 PolarHBondContact O-N 3.43Å
262S92.6Very high96.7Very high22 Ų2232 Ų3215%0.15417%0.167CC..Hα-helixtrans-60.7-45.3-177.378.80000111.9E42 T264 L265 D266E42-S262 VanDerWaalsContact CD-OG 3.3Å; E42-S262 WeakPolarHBondContact OE1-CB 3.3Å; E42-S262 PolarHBondContact OE1-N 3.09Å; E42-S262 PolarHBondContact OE1-OG 3.33Å; E42-S262 PolarHBondContact OE2-N 3.49Å; S262-T264 VanDerWaalsContact C-N 3.26Å; S262-T264 PolarHBondContact O-N 2.91Å; S262-L265 PolarHBondContact O-N 3.05Å; S262-L265 VanDerWaalsContact O-N 3.11Å; S262-D266 PolarHBondContact O-N 3.35Å
263L92.4Very high96.7Very high116 Ų11631.5 Ų31.561%0.60717%0.171SC*.Hα-helixtrans-62.1-32.8175.1-64.1178.1000112.6G261 K267G261-L263 PolarHBondContact O-N 3.11Å; L263-K267 VanDerWaalsContact O-CG 3.27Å; L263-K267 WeakPolarHBondContact O-CG 3.21Å; L263-K267 PolarHBondContact O-N 3.5Å; L263-K267 VanDerWaalsContact O-N 3.07Å
264T96.3Very high96.7Very high11 Ų1137.1 Ų37.17%0.06720%0.197CC..Hα-helixtrans-65.8-46.9175-52.20000109.6I125 G133 I134 L135 G261 S262 D266 K267 M268I125-T264 HydrophobicContact CB-CG2 4.07Å; I125-T264 HydrophobicContact CG1-CG2 4.13Å; G133-T264 WeakPolarHBondContact CA-OG1 3.4Å; I134-T264 PolarHBondContact N-OG1 3.44Å; I134-T264 PolarHBondContact O-OG1 3.24Å; I134-T264 VanDerWaalsContact O-OG1 3.07Å; L135-T264 HydrophobicContact CD2-CG2 4Å; L135-T264 HydrophobicContact CG-CG2 4.22Å; G261-T264 VanDerWaalsContact O-CB 3.3Å; G261-T264 WeakPolarHBondContact O-CB 3.21Å; G261-T264 PolarHBondContact O-N 2.72Å; G261-T264 VanDerWaalsContact O-N 3.09Å; S262-T264 VanDerWaalsContact C-N 3.26Å; S262-T264 PolarHBondContact O-N 2.91Å; T264-D266 VanDerWaalsContact C-N 3.33Å; T264-D266 PolarHBondContact O-N 2.97Å; T264-K267 PolarHBondContact O-N 3.08Å; T264-M268 HydrophobicContact CG2-SD 4.2Å; T264-M268 VanDerWaalsContact O-CG 3.23Å; T264-M268 WeakPolarHBondContact O-CG 3.22Å; T264-M268 PolarHBondContact O-N 3.41Å
265L96.8Very high96.5Very high0 Ų046.8 Ų46.80%023%0.234CC..Hα-helixtrans-65.5-36.6179.2-166.462.3000112F43 L135 I188 R221 I240 L242 G261 S262 M268 E269F43-L265 HydrophobicContact CE1-CD2 3.97Å; F43-L265 HydrophobicContact CZ-CB 4.48Å; F43-L265 HydrophobicContact CZ-CD2 3.81Å; L135-L265 HydrophobicContact CD2-CB 4.21Å; I188-L265 HydrophobicContact CG2-CD1 4.28Å; R221-L265 HydrophobicContact CG-CD2 4.18Å; I240-L265 HydrophobicContact CG2-CD1 4.29Å; I240-L265 HydrophobicContact CG2-CD2 4.26Å; L242-L265 HydrophobicContact CD2-CD1 3.77Å; L242-L265 HydrophobicContact CD2-CD2 4.06Å; L242-L265 HydrophobicContact CD2-CG 3.73Å; G261-L265 PolarHBondContact O-N 3.43Å; S262-L265 PolarHBondContact O-N 3.05Å; S262-L265 VanDerWaalsContact O-N 3.11Å; L265-M268 HydrophobicContact CD1-SD 4.23Å; L265-M268 WeakPolarHBondContact O-CB 3.23Å; L265-M268 PolarHBondContact O-N 2.81Å; L265-E269 WeakPolarHBondContact O-CB 3.34Å; L265-E269 PolarHBondContact O-N 3.09Å
266D95.5Very high96.5Very high60 Ų6050.4 Ų50.432%0.32125%0.251SS..Hα-helixtrans-62.4-49.1174.1-69.8-9.3000111.5R221 S262 T264 M268 E269 E270R221-D266 IonicContact CZ-OD1 3.54Å; R221-D266 IonicContact NE-OD1 3.38Å; R221-D266 IonicContact NH2-OD1 3.63Å; R221-D266 PolarHBondContact NH2-OD1 3.02Å; S262-D266 PolarHBondContact O-N 3.35Å; T264-D266 VanDerWaalsContact C-N 3.33Å; T264-D266 PolarHBondContact O-N 2.97Å; D266-M268 VanDerWaalsContact C-N 3.27Å; D266-M268 PolarHBondContact O-N 2.7Å; D266-E269 PolarHBondContact O-N 2.66Å; D266-E269 VanDerWaalsContact O-N 3.08Å; D266-E270 WeakPolarHBondContact O-CG 3.23Å; D266-E270 PolarHBondContact O-N 3.39Å
267K97.2Very high96.4Very high106 Ų10656.9 Ų56.946%0.46128%0.275SS..Hα-helixtrans-58.9-39175.2-72.3171.4-173.1177.10112.3C132 L263 T264 E270C132-K267 PolarHBondContact O-NZ 2.83Å; C132-K267 VanDerWaalsContact SG-CB 3.55Å; L263-K267 VanDerWaalsContact O-CG 3.27Å; L263-K267 WeakPolarHBondContact O-CG 3.21Å; L263-K267 PolarHBondContact O-N 3.5Å; L263-K267 VanDerWaalsContact O-N 3.07Å; T264-K267 PolarHBondContact O-N 3.08Å; K267-E270 PolarHBondContact O-N 2.79Å
268M98.3Very high96.5Very high0 Ų057.5 Ų57.50%028%0.28CS..Hα-helixtrans-63.1-43.1175.3-68.2164.88000111.2I125 L135 F179 L182 I188 T264 L265 D266 E270 V271 I282I125-M268 HydrophobicContact CD1-CE 4.39Å; I125-M268 HydrophobicContact CG1-CE 4.39Å; I125-M268 HydrophobicContact CG1-SD 4.15Å; I125-M268 HydrophobicContact CG2-CE 4.11Å; I125-M268 HydrophobicContact CG2-CG 4.02Å; I125-M268 HydrophobicContact CG2-SD 3.93Å; L135-M268 HydrophobicContact CD1-CE 4.33Å; L135-M268 HydrophobicContact CD1-SD 4Å; F179-M268 HydrophobicContact CD2-CE 3.76Å; F179-M268 HydrophobicContact CE1-CE 4.42Å; F179-M268 HydrophobicContact CE2-CE 3.64Å; F179-M268 HydrophobicContact CG-CE 4.21Å; F179-M268 HydrophobicContact CZ-CE 3.98Å; L182-M268 VanDerWaalsContact CD2-O 3.23Å; L182-M268 WeakPolarHBondContact CD2-O 3.38Å; I188-M268 HydrophobicContact CD1-CB 4.13Å; I188-M268 HydrophobicContact CD1-CE 3.76Å; T264-M268 HydrophobicContact CG2-SD 4.2Å; T264-M268 VanDerWaalsContact O-CG 3.23Å; T264-M268 WeakPolarHBondContact O-CG 3.22Å; T264-M268 PolarHBondContact O-N 3.41Å; L265-M268 HydrophobicContact CD1-SD 4.23Å; L265-M268 WeakPolarHBondContact O-CB 3.23Å; L265-M268 PolarHBondContact O-N 2.81Å; D266-M268 VanDerWaalsContact C-N 3.27Å; D266-M268 PolarHBondContact O-N 2.7Å; M268-E270 VanDerWaalsContact C-N 3.35Å; M268-V271 WeakPolarHBondContact O-CB 3.49Å; M268-V271 WeakPolarHBondContact O-CG2 3.09Å; M268-V271 PolarHBondContact O-N 3.2Å; M268-I282 HydrophobicContact CB-CD1 4.39Å; M268-I282 HydrophobicContact CE-CG2 3.78Å; M268-I282 HydrophobicContact CG-CG2 4.04Å
269E98Very high96.5Very high24 Ų2462.8 Ų62.811%0.11231%0.307CS..Hα-helixtrans-69.8-29.1178.8178.3169.7-153.100113.5K184 N185 R221 L242 L265 D266 V271K184-E269 HydrophobicContact CB-CG 4.49Å; K184-E269 WeakPolarHBondContact CE-O 3.41Å; K184-E269 HydrophobicContact CG-CG 4.31Å; K184-E269 PolarHBondContact NZ-O 3.25Å; N185-E269 PolarHBondContact N-OE1 3.02Å; R221-E269 IonicContact CZ-OE2 3.13Å; R221-E269 IonicContact NH1-OE1 2.82Å; R221-E269 IonicContact NH1-OE2 3.95Å; R221-E269 PolarHBondContact NH1-OE2 2.93Å; R221-E269 IonicContact NH2-OE2 2.74Å; R221-E269 PolarHBondContact NH2-OE2 3.21Å; L242-E269 HydrophobicContact CD1-CB 4.1Å; L242-E269 HydrophobicContact CD1-CG 3.92Å; L242-E269 HydrophobicContact CD2-CB 4.37Å; L265-E269 WeakPolarHBondContact O-CB 3.34Å; L265-E269 PolarHBondContact O-N 3.09Å; D266-E269 PolarHBondContact O-N 2.66Å; D266-E269 VanDerWaalsContact O-N 3.08Å; E269-V271 PolarHBondContact O-N 2.66Å
270E97.5Very high96.6Very high139 Ų13967.3 Ų67.365%0.6533%0.327SS*.Hα-helixtrans-68.3-22.7178.1-76.8-179.8171.600113K184 D266 K267 M268 S272K184-E270 PolarHBondContact NZ-O 2.93Å; D266-E270 WeakPolarHBondContact O-CG 3.23Å; D266-E270 PolarHBondContact O-N 3.39Å; K267-E270 PolarHBondContact O-N 2.79Å; M268-E270 VanDerWaalsContact C-N 3.35Å; E270-S272 PolarHBondContact O-N 2.77Å
271V97.9Very high96.8Very high12 Ų1270.1 Ų70.17%0.07334%0.342CS..SBendtrans-52.4127.4179.3178.60000110.9V127 L182 K184 M268 E269 P278 K280 I282V127-V271 HydrophobicContact CG1-CG2 4.02Å; V127-V271 HydrophobicContact CG2-CG2 4.35Å; L182-V271 HydrophobicContact CD2-CB 4.13Å; K184-V271 WeakPolarHBondContact CE-O 3.17Å; M268-V271 WeakPolarHBondContact O-CB 3.49Å; M268-V271 WeakPolarHBondContact O-CG2 3.09Å; M268-V271 PolarHBondContact O-N 3.2Å; E269-V271 PolarHBondContact O-N 2.66Å; V271-P278 HydrophobicContact CG1-CB 3.97Å; V271-K280 HydrophobicContact CG1-CB 3.87Å; V271-K280 HydrophobicContact CG1-CG 4.35Å; V271-I282 HydrophobicContact CB-CD1 4.08Å; V271-I282 HydrophobicContact CG1-CD1 4.34Å; V271-I282 HydrophobicContact CG2-CD1 3.88Å; V271-I282 HydrophobicContact CG2-CG1 4.18Å
272S97.8Very high97Very high73 Ų7369.7 Ų69.751%0.5134%0.337SS..  trans-64.7141.4177-64.80000111E270 L279E270-S272 PolarHBondContact O-N 2.77Å; S272-L279 WeakPolarHBondContact O-CB 3.32Å; S272-L279 WeakPolarHBondContact O-CG 3.33Å; S272-L279 PolarHBondContact O-N 2.74Å
273T97.5Very high97.2Very high52 Ų5269.6 Ų69.632%0.31934%0.337SS..EExtended strand (participates in β ladder)trans-123.7148.9-176.660.50000112L182 R277L182-T273 HydrophobicContact CB-CG2 3.88Å; L182-T273 HydrophobicContact CD2-CG2 3.77Å; L182-T273 HydrophobicContact CG-CG2 3.88Å; T273-R277 CarbonylContact C-O 3.51Å; T273-R277 WeakPolarHBondContact CA-O 3.47Å; T273-R277 WeakPolarHBondContact CB-O 3.41Å
274Q97.6Very high97.5Very high118 Ų11864.1 Ų64.155%0.55131%0.308SS*.EExtended strand (participates in β ladder)trans-119.2120.2164.9-172.9-177.124.400108.8E276 R277 L279Q274-E276 VanDerWaalsContact C-N 3.27Å; Q274-E276 PolarHBondContact O-N 3.11Å; Q274-R277 PolarHBondContact N-O 3.43Å; Q274-R277 WeakPolarHBondContact O-CB 3.06Å; Q274-R277 PolarHBondContact O-N 2.84Å; Q274-L279 HydrophobicContact CB-CD2 3.81Å
275Y96.2Very high97.6Very high205 Ų20567.8 Ų67.880%0.80432%0.324SS*.THydrogen-bonded Turntrans49.947.7-173.2-51.2-68000112.6R277Y275-R277 PolarHBondContact O-N 2.83Å
276E97.3Very high97.6Very high76 Ų7670.6 Ų70.636%0.35534%0.339SS..THydrogen-bonded Turntrans63.33.5-177.5-50.4172.7169.100114.9R181 L182 V183 Q274R181-E276 CarbonylContact C-O 3.56Å; R181-E276 VanDerWaalsContact CA-O 3.3Å; R181-E276 WeakPolarHBondContact CA-O 3.38Å; R181-E276 HydrophobicContact CG-CB 4.04Å; R181-E276 IonicContact CZ-OE2 3.62Å; R181-E276 IonicContact NE-OE2 3.58Å; R181-E276 PolarHBondContact NE-OE2 3.36Å; R181-E276 IonicContact NH2-OE1 2.74Å; R181-E276 IonicContact NH2-OE2 2.81Å; R181-E276 PolarHBondContact NH2-OE2 3.13Å; L182-E276 PolarHBondContact N-O 2.93Å; L182-E276 WeakPolarHBondContact O-CA 3.41Å; V183-E276 HydrophobicContact CG2-CB 4.2Å; V183-E276 HydrophobicContact CG2-CG 4.01Å; Q274-E276 VanDerWaalsContact C-N 3.27Å; Q274-E276 PolarHBondContact O-N 3.11Å
277R97.2Very high97.7Very high136 Ų13668.7 Ų68.751%0.51333%0.329SS..EExtended strand (participates in β ladder)trans-90.1127.1171-67-169.3167.5-144.3-7110R197 T273 Q274 Y275 L279R197-R277 PolarHBondContact O-NH2 3.16Å; T273-R277 CarbonylContact C-O 3.51Å; T273-R277 WeakPolarHBondContact CA-O 3.47Å; T273-R277 WeakPolarHBondContact CB-O 3.41Å; Q274-R277 PolarHBondContact N-O 3.43Å; Q274-R277 WeakPolarHBondContact O-CB 3.06Å; Q274-R277 PolarHBondContact O-N 2.84Å; Y275-R277 PolarHBondContact O-N 2.83Å; R277-L279 PolarHBondContact O-N 2.66Å
278P97.9Very high97.6Very high22 Ų2266.3 Ų66.314%0.14333%0.326CS..EExtended strand (participates in β ladder)trans-53.5134.2171.3-27.736.9000111.8L182 V271 K280 I282L182-P278 HydrophobicContact CB-CG 3.84Å; V271-P278 HydrophobicContact CG1-CB 3.97Å; P278-K280 VanDerWaalsContact C-N 3.3Å; P278-K280 WeakPolarHBondContact CB-O 3.46Å; P278-I282 HydrophobicContact CB-CD1 4.21Å; P278-I282 HydrophobicContact CB-CG1 4.3Å; P278-I282 HydrophobicContact CG-CD1 4.07Å
279L97.7Very high97.4Very high112 Ų11269.9 Ų69.959%0.58634%0.344SS*.SBendtrans-75.1-25.7172.7-69.9179.2000112.1S272 Q274 R277S272-L279 WeakPolarHBondContact O-CB 3.32Å; S272-L279 WeakPolarHBondContact O-CG 3.33Å; S272-L279 PolarHBondContact O-N 2.74Å; Q274-L279 HydrophobicContact CB-CD2 3.81Å; R277-L279 PolarHBondContact O-N 2.66Å
280K98Very high97.2Very high103 Ų10369.6 Ų69.645%0.44834%0.344SS..SBendtrans-104.9139.8173.3-60.2-166.2166.9-171.90109.2V127 D128 V271 P278 I282V127-K280 HydrophobicContact CG1-CB 3.73Å; V127-K280 HydrophobicContact CG1-CD 3.8Å; V127-K280 HydrophobicContact CG1-CG 4.44Å; D128-K280 WeakPolarHBondContact OD1-CA 3.46Å; D128-K280 WeakPolarHBondContact OD1-CB 3.42Å; D128-K280 WeakPolarHBondContact OD2-CB 3.45Å; D128-K280 WeakPolarHBondContact OD2-CD 3.45Å; D128-K280 WeakPolarHBondContact OD2-CG 3.27Å; V271-K280 HydrophobicContact CG1-CB 3.87Å; V271-K280 HydrophobicContact CG1-CG 4.35Å; P278-K280 VanDerWaalsContact C-N 3.3Å; P278-K280 WeakPolarHBondContact CB-O 3.46Å; K280-I282 PolarHBondContact O-N 2.85Å
281D97.9Very high96.7Very high75 Ų7567.1 Ų67.140%0.40134%0.335SS..  trans-70.4115179.2-84.4-26.5000109.8V127 D128 K178V127-D281 CarbonylContact C-O 3.45Å; V127-D281 VanDerWaalsContact CA-O 3.3Å; V127-D281 WeakPolarHBondContact CA-O 3.4Å; D128-D281 PolarHBondContact N-O 2.94Å; D128-D281 PolarHBondContact OD1-N 3.48Å; K178-D281 WeakPolarHBondContact CE-OD1 3.45Å; K178-D281 WeakPolarHBondContact CE-OD2 3.31Å; K178-D281 IonicContact NZ-OD1 2.6Å; K178-D281 PolarHBondContact NZ-OD1 3.13Å; K178-D281 IonicContact NZ-OD2 2.74Å; K178-D281 PolarHBondContact NZ-OD2 2.72Å
282I98.6Very high96Very high1 Ų167 Ų671%0.00534%0.336CS..EExtended strand (participates in β ladder)trans-96.5110.2171.9-49.9177.2000107.7I125 S126 V127 K178 F179 L182 I188 M268 V271 P278 K280I125-I282 HydrophobicContact CG2-CG2 3.85Å; S126-I282 WeakPolarHBondContact O-CA 3.29Å; V127-I282 HydrophobicContact CG2-CG1 4.35Å; K178-I282 CarbonylContact C-O 3.51Å; K178-I282 VanDerWaalsContact CA-O 3.3Å; K178-I282 WeakPolarHBondContact CA-O 3.3Å; F179-I282 HydrophobicContact CB-CB 4.19Å; F179-I282 HydrophobicContact CB-CG2 4.31Å; F179-I282 HydrophobicContact CD2-CB 4.45Å; F179-I282 HydrophobicContact CD2-CG2 3.82Å; F179-I282 HydrophobicContact CG-CG2 4.43Å; F179-I282 PolarHBondContact N-O 2.92Å; L182-I282 HydrophobicContact CD2-CD1 4.45Å; I188-I282 HydrophobicContact CD1-CD1 3.96Å; M268-I282 HydrophobicContact CB-CD1 4.39Å; M268-I282 HydrophobicContact CE-CG2 3.78Å; M268-I282 HydrophobicContact CG-CG2 4.04Å; V271-I282 HydrophobicContact CB-CD1 4.08Å; V271-I282 HydrophobicContact CG1-CD1 4.34Å; V271-I282 HydrophobicContact CG2-CD1 3.88Å; V271-I282 HydrophobicContact CG2-CG1 4.18Å; P278-I282 HydrophobicContact CB-CD1 4.21Å; P278-I282 HydrophobicContact CB-CG1 4.3Å; P278-I282 HydrophobicContact CG-CD1 4.07Å; K280-I282 PolarHBondContact O-N 2.85Å
283C98.2Very high95.2Very high21 Ų2168.9 Ų68.914%0.14234%0.34CS..EExtended strand (participates in β ladder)trans-117.9149.3-169.8-640000112.5I125 S126I125-C283 WeakPolarHBondContact CA-O 3.36Å; S126-C283 PolarHBondContact N-O 3.22Å; S126-C283 PolarHBondContact O-N 3.45Å; S126-C283 WeakPolarHBondContact OG-CB 3.5Å
284I98.5Very high94.4Very high0 Ų071.9 Ų71.90%035%0.354CS..EExtended strand (participates in β ladder)trans-90.6103167.6-57.1170.2000108.1M123 I125 G176 T177 F179 F238 I287M123-I284 HydrophobicContact CE-CD1 3.76Å; M123-I284 HydrophobicContact CE-CG1 4.42Å; M123-I284 HydrophobicContact CE-CG2 4.44Å; M123-I284 HydrophobicContact CG-CB 4.4Å; M123-I284 HydrophobicContact CG-CD1 4.46Å; M123-I284 HydrophobicContact CG-CG1 4.12Å; M123-I284 HydrophobicContact CG-CG2 3.55Å; M123-I284 HydrophobicContact SD-CB 4.47Å; M123-I284 HydrophobicContact SD-CD1 3.51Å; M123-I284 VanDerWaalsContact SD-CD1 3.51Å; M123-I284 HydrophobicContact SD-CG1 3.61Å; M123-I284 HydrophobicContact SD-CG2 4.07Å; I125-I284 HydrophobicContact CD1-CG1 4.21Å; G176-I284 WeakPolarHBondContact CA-O 3.23Å; G176-I284 PolarHBondContact N-O 3.45Å; T177-I284 PolarHBondContact O-N 2.6Å; F179-I284 HydrophobicContact CD2-CG1 4.38Å; F179-I284 HydrophobicContact CE2-CD1 3.99Å; F179-I284 HydrophobicContact CE2-CG1 3.62Å; F179-I284 HydrophobicContact CZ-CD1 4.13Å; F179-I284 HydrophobicContact CZ-CG1 4.21Å; F238-I284 HydrophobicContact CZ-CD1 4.34Å; I284-I287 HydrophobicContact CG2-CD1 3.71Å; I284-I287 HydrophobicContact CG2-CG1 3.51Å
285E97.6Very high93.3Very high89 Ų8967 Ų6742%0.41633%0.331SS..EExtended strand (participates in β ladder)trans-79.3-40.7-176-67.1-60.2158.800112.5H124 S126 K175H124-E285 HydrophobicContact CB-CB 4.42Å; H124-E285 PolarHBondContact O-N 3.16Å; S126-E285 WeakPolarHBondContact CB-OE1 3.45Å; S126-E285 PolarHBondContact OG-OE1 2.8Å; K175-E285 VanDerWaalsContact CE-O 3.27Å; K175-E285 WeakPolarHBondContact CE-O 3.38Å; K175-E285 WeakPolarHBondContact CG-O 3.48Å
286D97.4Very high91.7Very high59 Ų5960.8 Ų60.832%0.31632%0.315SS..EExtended strand (participates in β ladder)trans-152.6155-178.4-153.423.2000111.6H124 K175H124-D286 HydrophobicContact CB-CB 4.09Å; H124-D286 PolarHBondContact N-O 3.13Å; K175-D286 WeakPolarHBondContact CE-OD1 3.47Å; K175-D286 IonicContact NZ-OD1 2.66Å; K175-D286 PolarHBondContact NZ-OD1 3.14Å
287I97.4Very high89.6Confident19 Ų1962.5 Ų62.510%0.09733%0.331CS..EExtended strand (participates in β ladder)trans-138.8136.9-179.1-54.2174.5000108.7V121 S122 M123 C155 Y174 K175 I284V121-I287 HydrophobicContact CG1-CG2 3.47Å; V121-I287 VanDerWaalsContact CG1-CG2 3.47Å; S122-I287 CarbonylContact O-C 3.59Å; S122-I287 VanDerWaalsContact O-CA 3.31Å; S122-I287 WeakPolarHBondContact O-CA 3.43Å; M123-I287 HydrophobicContact CE-CD1 4.42Å; M123-I287 HydrophobicContact CG-CG1 4.46Å; C155-I287 HydrophobicContact CB-CG2 3.66Å; Y174-I287 VanDerWaalsContact CB-CD1 3.49Å; K175-I287 HydrophobicContact CB-CD1 4.49Å; I284-I287 HydrophobicContact CG2-CD1 3.71Å; I284-I287 HydrophobicContact CG2-CG1 3.51Å
288S95Very high87.5Confident57 Ų5764.5 Ų64.540%0.39934%0.343SS..EExtended strand (participates in β ladder)trans-136.6136175-69.40000110.5S122 V290S122-S288 PolarHBondContact N-O 3.17Å; S122-S288 PolarHBondContact O-N 2.48Å; S288-V290 PolarHBondContact O-N 3.29Å
289I94.7Very high85.3Confident74 Ų7465.6 Ų65.638%0.37935%0.347SS..EExtended strand (participates in β ladder)trans-76122.9166.1-54.3-55.6000107.1I119 V121 R152 C155 T156 N291I119-I289 HydrophobicContact CG2-CG2 4.4Å; V121-I289 HydrophobicContact CG2-CD1 3.8Å; R152-I289 HydrophobicContact CG-CD1 3.87Å; C155-I289 HydrophobicContact CB-CD1 4.42Å; T156-I289 HydrophobicContact CG2-CD1 3.96Å; T156-I289 HydrophobicContact CG2-CG1 3.65Å; I289-N291 PolarHBondContact O-N 2.94Å
290V92.5Very high82.7Confident18 Ų1864.1 Ų64.111%0.10934%0.343CS..  trans-78.8120.9-175.6177.10000109.4H120 L136 S288 L295 I299H120-V290 HydrophobicContact CB-CB 3.93Å; H120-V290 HydrophobicContact CB-CG2 4.48Å; H120-V290 PolarHBondContact O-N 3.3Å; L136-V290 HydrophobicContact CD1-CB 4.49Å; L136-V290 HydrophobicContact CD1-CG2 3.6Å; S288-V290 PolarHBondContact O-N 3.29Å; V290-L295 HydrophobicContact CG1-CD2 3.63Å; V290-I299 HydrophobicContact CG1-CD1 4.13Å; V290-I299 HydrophobicContact CG2-CD1 4.31Å
291N87.4Confident81.9Confident88 Ų8862.2 Ų62.247%0.47134%0.337SS..  trans-87.9105.5165.8-177.40.5000108.4I289 N293 D294I289-N291 PolarHBondContact O-N 2.94Å; N291-N293 PolarHBondContact O-N 2.88Å; N291-N293 VanDerWaalsContact O-N 3.12Å; N291-N293 WeakPolarHBondContact OD1-CB 3.44Å; N291-N293 PolarHBondContact OD1-N 2.8Å; N291-D294 HydrophobicContact CB-CB 4.42Å; N291-D294 CarbonylContact O-C 3.58Å; N291-D294 PolarHBondContact O-N 2.77Å
292A83Confident81.1Confident10 Ų1061.5 Ų61.58%0.08333%0.334CS..G310 helixtrans-61.2-21.3179.200000112.9Q110 L113 L114 D294 L295Q110-A292 VanDerWaalsContact CD-O 3.3Å; Q110-A292 VanDerWaalsContact CG-O 3.24Å; Q110-A292 WeakPolarHBondContact CG-O 3.36Å; Q110-A292 PolarHBondContact NE2-O 3.48Å; L113-A292 HydrophobicContact CB-CB 3.94Å; L114-A292 HydrophobicContact CD2-CB 3.67Å; L114-A292 HydrophobicContact CG-CB 3.81Å; A292-D294 VanDerWaalsContact C-N 3.25Å; A292-D294 PolarHBondContact O-N 3.26Å; A292-L295 HydrophobicContact CB-CD1 4.48Å; A292-L295 WeakPolarHBondContact O-CD1 3.31Å
293N81.6Confident80.1Confident112 Ų11264.8 Ų64.860%0.59935%0.352SS*.G310 helixtrans-74.5-14.5174.2-62.9-56000113.9N291N291-N293 PolarHBondContact O-N 2.88Å; N291-N293 VanDerWaalsContact O-N 3.12Å; N291-N293 WeakPolarHBondContact OD1-CB 3.44Å; N291-N293 PolarHBondContact OD1-N 2.8Å
294D80.2Confident79.1Confident114 Ų11467.4 Ų67.461%0.6137%0.365SS*.G310 helixtrans-130.750.3-176.4-166.216000110.3N291 A292 T296N291-D294 HydrophobicContact CB-CB 4.42Å; N291-D294 CarbonylContact O-C 3.58Å; N291-D294 PolarHBondContact O-N 2.77Å; A292-D294 VanDerWaalsContact C-N 3.25Å; A292-D294 PolarHBondContact O-N 3.26Å; D294-T296 PolarHBondContact O-N 2.8Å
295L75.7Confident77.8Confident16 Ų1671.6 Ų71.68%0.08439%0.387CS..  trans-75117.2174.5-70.4164.2000109L106 Y109 Q110 L113 V290 A292 I299L106-L295 HydrophobicContact CD1-CB 4.39Å; Y109-L295 HydrophobicContact CD1-CD1 4.14Å; Y109-L295 HydrophobicContact CE1-CD1 4.43Å; Q110-L295 HydrophobicContact CB-CD1 3.71Å; Q110-L295 HydrophobicContact CG-CD1 4.01Å; L113-L295 HydrophobicContact CD1-CD1 3.68Å; L113-L295 HydrophobicContact CD1-CD2 4.02Å; L113-L295 HydrophobicContact CD1-CG 4.49Å; V290-L295 HydrophobicContact CG1-CD2 3.63Å; A292-L295 HydrophobicContact CB-CD1 4.48Å; A292-L295 WeakPolarHBondContact O-CD1 3.31Å; L295-I299 HydrophobicContact CD2-CD1 3.91Å
296T62Low76.5Confident75 Ų7570.5 Ų70.546%0.4639%0.386SS..  trans-93.8153.3166.661.60000109.5D294 K298 I299D294-T296 PolarHBondContact O-N 2.8Å; T296-K298 PolarHBondContact O-N 2.98Å; T296-I299 PolarHBondContact O-N 3.33Å
297T53.9Low75Confident112 Ų11271.3 Ų71.369%0.68739%0.391SS*.THydrogen-bonded Turntrans-59.57.1178.10.80000115.1
298K53.2Low73.3Confident177 Ų17775.3 Ų75.377%0.7741%0.413SS*.THydrogen-bonded Turntrans-90.8-15.2176.4-72.3-177.1177.2177.10113.5T296T296-K298 PolarHBondContact O-N 2.98Å
299I51.5Low71.5Confident46 Ų4676.8 Ų76.824%0.23641%0.414CS..  trans-86.7-22.5177-62.3173.4000110.8L136 V290 L295 T296L136-I299 HydrophobicContact CD2-CG2 4.22Å; V290-I299 HydrophobicContact CG1-CD1 4.13Å; V290-I299 HydrophobicContact CG2-CD1 4.31Å; L295-I299 HydrophobicContact CD2-CD1 3.91Å; T296-I299 PolarHBondContact O-N 3.33Å
300V42.5Very low69.4Low80 Ų8077.1 Ų77.149%0.48542%0.417SS..  trans-110.70-178.6-174.20000109.5H10 Y109H10-V300 HydrophobicContact CB-CG1 3.64Å; Y109-V300 HydrophobicContact CD1-CG2 3.87Å; Y109-V300 HydrophobicContact CE1-CG2 3.81Å; Y109-V300 HydrophobicContact CG-CG2 4.46Å

Retrieved 300 of 300 residues in 335.9 ms (Link to these results)

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