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AP-2 complex subunit mu

Component of the adaptor complexes which link clathrin to receptors in coated vesicles. Clathrin-associated protein complexes are believed to interact with the cytoplasmic tails of membrane proteins, leading to their selection and concentration. AP50 is a subunit of the plasma membrane adaptor. The complex binds polyphosphoinositide-containing lipids.

AlphaFold DB , UniProt , Accession Q5ZMP6, Species CHICK (Gallus gallus, Chicken), Gene AP2M1, Length 433 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
1M92.4Very high95.1Very high34 Ų3422.6 Ų22.617%0.16710%0.103CC..  0173.20-65.8-42.2-85.300111.1G3 T69 V73 M77 G119 Y120M1-G3 PolarHBondContact O-N 2.74Å; M1-T69 PolarHBondContact O-OG1 3.15Å; M1-V73 VanDerWaalsContact N-CG1 3.29Å; M1-M77 HydrophobicContact CE-CE 3.52Å; M1-M77 HydrophobicContact CE-SD 3.92Å; M1-M77 HydrophobicContact SD-CE 4.09Å; M1-G119 WeakPolarHBondContact CB-O 3.48Å; M1-G119 WeakPolarHBondContact CE-O 3.35Å; M1-Y120 HydrophobicContact CB-CE2 4.38Å; M1-Y120 HydrophobicContact CE-CD1 3.7Å; M1-Y120 HydrophobicContact CE-CE1 4.27Å; M1-Y120 HydrophobicContact CE-CG 4.15Å; M1-Y120 HydrophobicContact CG-CD1 3.64Å; M1-Y120 HydrophobicContact CG-CD2 4.18Å; M1-Y120 HydrophobicContact CG-CE1 3.37Å; M1-Y120 HydrophobicContact CG-CE2 3.92Å; M1-Y120 HydrophobicContact CG-CG 4.02Å; M1-Y120 HydrophobicContact SD-CD1 4.2Å; M1-Y120 HydrophobicContact SD-CE1 4.17Å
2I95.8Very high94.9Very high1 Ų120.8 Ų20.81%0.00510%0.095CC..  trans-65128.9-177.2-62172.2000108.7A67 V78 F81 L116 G119I2-A67 HydrophobicContact CD1-CB 4.45Å; I2-A67 HydrophobicContact CG2-CB 4.14Å; I2-V78 HydrophobicContact CD1-CG1 4.17Å; I2-V78 HydrophobicContact CD1-CG2 4.24Å; I2-V78 HydrophobicContact CG1-CG1 4.47Å; I2-V78 HydrophobicContact CG1-CG2 4.09Å; I2-F81 HydrophobicContact CD1-CD1 3.9Å; I2-F81 HydrophobicContact CD1-CE1 4.36Å; I2-L116 HydrophobicContact CB-CD2 4.42Å; I2-L116 HydrophobicContact CD1-CD1 4.27Å; I2-L116 HydrophobicContact CD1-CD2 4.34Å; I2-L116 HydrophobicContact CG2-CD2 4.22Å; I2-G119 PolarHBondContact N-O 3.34Å; I2-G119 WeakPolarHBondContact O-CA 3.3Å
3G95.4Very high94.8Very high0 Ų026.7 Ų26.70%012%0.123CC..  trans-95.3-27.1-178.500000113.4M1 Y20 R21 I24 V68M1-G3 PolarHBondContact O-N 2.74Å; G3-Y20 PolarHBondContact O-N 3.42Å; G3-R21 PolarHBondContact O-N 2.96Å; G3-I24 VanDerWaalsContact C-CG1 3.47Å; G3-V68 WeakPolarHBondContact CA-O 3.37Å; G3-V68 PolarHBondContact N-O 3.29Å
4G96.1Very high94.9Very high0 Ų029.1 Ų29.10%014%0.14CC..EExtended strand (participates in β ladder)trans-160.3153.2174.500000111.6R18 A67 V68G4-R18 CarbonylContact C-O 3.54Å; G4-R18 WeakPolarHBondContact CA-O 3.32Å; G4-A67 CarbonylContact O-C 3.6Å; G4-A67 WeakPolarHBondContact O-CA 3.34Å; G4-V68 PolarHBondContact N-O 3.26Å; G4-V68 VanDerWaalsContact N-O 3.09Å; G4-V68 PolarHBondContact O-N 3.38Å
5L96.8Very high94.9Very high0 Ų029.1 Ų29.10%014%0.141CC..EExtended strand (participates in β ladder)trans-128.5128.9174-172.5142.5000109.6I7 R18 Y20 A66 F81 L82 L112L5-I7 HydrophobicContact CD2-CG1 4.15Å; L5-R18 PolarHBondContact N-O 2.77Å; L5-R18 PolarHBondContact O-N 2.91Å; L5-Y20 HydrophobicContact CB-CE2 4.06Å; L5-A66 WeakPolarHBondContact CA-O 3.37Å; L5-F81 HydrophobicContact CD1-CD1 4.44Å; L5-F81 HydrophobicContact CD1-CE1 3.58Å; L5-F81 HydrophobicContact CD1-CZ 4.42Å; L5-L82 HydrophobicContact CD1-CD2 3.91Å; L5-L112 HydrophobicContact CD1-CD2 4.44Å; L5-L112 HydrophobicContact CD2-CD1 4.19Å; L5-L112 HydrophobicContact CD2-CD2 3.86Å
6F96.4Very high95Very high1 Ų127.4 Ų27.40%0.00413%0.133CC..EExtended strand (participates in β ladder)trans-129.8140.6-175.4-51.1-74.8000109.7Y8 I16 S17 V19 I24 V29 A66 V68F6-Y8 HydrophobicContact CB-CD2 4.22Å; F6-Y8 HydrophobicContact CB-CE2 3.33Å; F6-Y8 WeakPolarHBondContact CB-OH 3.45Å; F6-Y8 HydrophobicContact CG-CE2 4.35Å; F6-I16 WeakPolarHBondContact CA-O 3.42Å; F6-S17 WeakPolarHBondContact CE1-OG 3.47Å; F6-V19 HydrophobicContact CE1-CG2 4.17Å; F6-V19 HydrophobicContact CZ-CG2 4.22Å; F6-I24 HydrophobicContact CE2-CG2 4.13Å; F6-I24 HydrophobicContact CZ-CG2 3.81Å; F6-V29 HydrophobicContact CD1-CG2 3.74Å; F6-V29 HydrophobicContact CE1-CG2 3.37Å; F6-V29 HydrophobicContact CE2-CG2 4.22Å; F6-V29 HydrophobicContact CG-CG2 4.34Å; F6-V29 HydrophobicContact CZ-CG2 3.63Å; F6-A66 PolarHBondContact N-O 3.07Å; F6-A66 PolarHBondContact O-N 3.29Å; F6-V68 HydrophobicContact CD2-CB 4.44Å; F6-V68 HydrophobicContact CD2-CG2 3.56Å; F6-V68 HydrophobicContact CE2-CB 3.92Å; F6-V68 HydrophobicContact CE2-CG2 3.47Å; F6-V68 VanDerWaalsContact CE2-CG2 3.47Å
7I97.2Very high95Very high0 Ų028.9 Ų28.90%015%0.146CC..EExtended strand (participates in β ladder)trans-116.6125.5173.6-52.8-175.5000107.7L5 L15 I16 I63 W64 L65 M89 I101L5-I7 HydrophobicContact CD2-CG1 4.15Å; I7-L15 PolarHBondContact O-N 3.44Å; I7-I16 HydrophobicContact CB-CB 3.99Å; I7-I16 HydrophobicContact CB-CG1 4.45Å; I7-I16 HydrophobicContact CD1-CB 4.07Å; I7-I16 HydrophobicContact CD1-CG1 4.14Å; I7-I16 HydrophobicContact CG1-CB 4Å; I7-I16 PolarHBondContact N-O 3.19Å; I7-I16 PolarHBondContact O-N 3.33Å; I7-I63 HydrophobicContact CG2-CG2 3.39Å; I7-W64 CarbonylContact C-O 3.49Å; I7-W64 VanDerWaalsContact CA-O 3.3Å; I7-W64 WeakPolarHBondContact CA-O 3.21Å; I7-L65 HydrophobicContact CD1-CD2 4.5Å; I7-L65 HydrophobicContact CD1-CG 4.45Å; I7-L65 HydrophobicContact CG1-CG 4.22Å; I7-M89 HydrophobicContact CD1-CE 3.46Å; I7-M89 VanDerWaalsContact CD1-CE 3.46Å; I7-I101 HydrophobicContact CG2-CD1 3.89Å
8Y96.2Very high95Very high0 Ų031.9 Ų31.90%016%0.156CC..EExtended strand (participates in β ladder)trans-117.9150.7-179-51-100.9000111.3F6 G12 E13 V14 V29 F32 I37 I63 W64 A66F6-Y8 HydrophobicContact CB-CD2 4.22Å; F6-Y8 HydrophobicContact CB-CE2 3.33Å; F6-Y8 WeakPolarHBondContact CB-OH 3.45Å; F6-Y8 HydrophobicContact CG-CE2 4.35Å; Y8-G12 WeakPolarHBondContact CD1-O 3.03Å; Y8-E13 WeakPolarHBondContact CA-O 3.43Å; Y8-V14 HydrophobicContact CD1-CG2 3.85Å; Y8-V14 HydrophobicContact CE1-CG2 3.56Å; Y8-V29 HydrophobicContact CE1-CG1 3.88Å; Y8-V29 WeakPolarHBondContact OH-CA 3.4Å; Y8-F32 AromaticContact CD2-CD1 3.75Å; Y8-F32 HydrophobicContact CD2-CD1 3.75Å; Y8-F32 AromaticContact CD2-CE1 3.76Å; Y8-F32 HydrophobicContact CD2-CE1 3.76Å; Y8-F32 HydrophobicContact CE1-CD1 4.28Å; Y8-F32 AromaticContact CE2-CD1 3.32Å; Y8-F32 HydrophobicContact CE2-CD1 3.32Å; Y8-F32 AromaticContact CE2-CE1 3.73Å; Y8-F32 HydrophobicContact CE2-CE1 3.73Å; Y8-F32 HydrophobicContact CE2-CG 4.23Å; Y8-F32 HydrophobicContact CG-CD1 4.4Å; Y8-F32 AromaticContact CZ-CD1 3.65Å; Y8-I37 HydrophobicContact CD1-CD1 4.06Å; Y8-I37 HydrophobicContact CD2-CD1 4.27Å; Y8-I37 HydrophobicContact CG-CD1 3.76Å; Y8-I63 WeakPolarHBondContact O-CA 3.12Å; Y8-W64 HydrophobicContact CD2-CB 4.45Å; Y8-W64 PolarHBondContact N-O 3Å; Y8-W64 PolarHBondContact O-N 3.12Å; Y8-A66 HydrophobicContact CD2-CB 4.5Å; Y8-A66 HydrophobicContact CE2-CB 3.91Å
9N95.4Very high95.1Very high1 Ų133.8 Ų33.81%0.00517%0.169CC..  trans-81.4-177.8164.37210.9000111.4K11 G12 E13 L15 N62 E98N9-K11 PolarHBondContact O-N 2.7Å; N9-K11 WeakPolarHBondContact OD1-CA 3.09Å; N9-K11 WeakPolarHBondContact OD1-CB 3.35Å; N9-K11 PolarHBondContact OD1-N 3.22Å; N9-G12 PolarHBondContact O-N 3.13Å; N9-G12 VanDerWaalsContact O-N 3.07Å; N9-G12 PolarHBondContact OD1-N 2.88Å; N9-G12 VanDerWaalsContact OD1-N 3.15Å; N9-E13 PolarHBondContact N-O 3.46Å; N9-E13 PolarHBondContact ND2-OE2 3.42Å; N9-E13 PolarHBondContact OD1-N 3.24Å; N9-L15 HydrophobicContact CB-CD1 4.14Å; N9-L15 HydrophobicContact CB-CD2 4.36Å; N9-L15 HydrophobicContact CB-CG 4.28Å; N9-N62 CarbonylContact C-O 3.57Å; N9-E98 WeakPolarHBondContact CB-OE2 3.44Å; N9-E98 PolarHBondContact ND2-OE1 2.68Å
10H91.5Very high95.1Very high98 Ų9833.2 Ų33.245%0.45417%0.165SC..THydrogen-bonded Turntrans-66.7-19.2-18067.9-77.8000114.5G12 N62H10-G12 VanDerWaalsContact C-N 3.31Å; H10-N62 HydrophobicContact CB-CB 4.26Å; H10-N62 PolarHBondContact N-O 2.97Å; H10-N62 VanDerWaalsContact N-O 3.14Å
11K92.9Very high95.1Very high114 Ų11433.1 Ų33.150%0.49616%0.163SC..THydrogen-bonded Turntrans-87.7-2.7174.8-55.1179.8-178174.80112.5N9 E13 H38N9-K11 PolarHBondContact O-N 2.7Å; N9-K11 WeakPolarHBondContact OD1-CA 3.09Å; N9-K11 WeakPolarHBondContact OD1-CB 3.35Å; N9-K11 PolarHBondContact OD1-N 3.22Å; K11-E13 VanDerWaalsContact C-N 3.29Å; K11-E13 HydrophobicContact CB-CG 4.33Å; K11-E13 PolarHBondContact O-N 2.81Å; K11-H38 PolarHBondContact O-CE1 2.81Å; K11-H38 VanDerWaalsContact O-CE1 3.28Å; K11-H38 PolarHBondContact O-NE2 3.28Å; K11-H38 VanDerWaalsContact O-NE2 3.15Å
12G92.4Very high95Very high1 Ų139.5 Ų39.51%0.0120%0.197CC..  trans73.717.5-175.100000114.5Y8 N9 H10 R33Y8-G12 WeakPolarHBondContact CD1-O 3.03Å; N9-G12 PolarHBondContact O-N 3.13Å; N9-G12 VanDerWaalsContact O-N 3.07Å; N9-G12 PolarHBondContact OD1-N 2.88Å; N9-G12 VanDerWaalsContact OD1-N 3.15Å; H10-G12 VanDerWaalsContact C-N 3.31Å; G12-R33 WeakPolarHBondContact O-CD 3.38Å
13E94.4Very high94.8Very high97 Ų9741.9 Ų41.945%0.45321%0.21SC..  trans-75.7140.2168.2-61.6164.816600109.2Y8 N9 K11 L15Y8-E13 WeakPolarHBondContact CA-O 3.43Å; N9-E13 PolarHBondContact N-O 3.46Å; N9-E13 PolarHBondContact ND2-OE2 3.42Å; N9-E13 PolarHBondContact OD1-N 3.24Å; K11-E13 VanDerWaalsContact C-N 3.29Å; K11-E13 HydrophobicContact CB-CG 4.33Å; K11-E13 PolarHBondContact O-N 2.81Å; E13-L15 PolarHBondContact O-N 2.8Å
14V95.2Very high94.7Very high60 Ų6042.3 Ų42.336%0.36421%0.213SC..EExtended strand (participates in β ladder)trans-81117.4-178.3-174.30000109.2Y8 I16 V29Y8-V14 HydrophobicContact CD1-CG2 3.85Å; Y8-V14 HydrophobicContact CE1-CG2 3.56Å; V14-I16 VanDerWaalsContact CG1-O 3.24Å; V14-I16 WeakPolarHBondContact CG1-O 3.08Å; V14-V29 HydrophobicContact CG2-CG1 3.25Å
15L95.8Very high94.2Very high30 Ų3043.9 Ų43.916%0.15723%0.229CC..EExtended strand (participates in β ladder)trans-85.9-40.2173.3-59179.4000111.5I7 N9 E13 I63 E98 I101I7-L15 PolarHBondContact O-N 3.44Å; N9-L15 HydrophobicContact CB-CD1 4.14Å; N9-L15 HydrophobicContact CB-CD2 4.36Å; N9-L15 HydrophobicContact CB-CG 4.28Å; E13-L15 PolarHBondContact O-N 2.8Å; L15-I63 HydrophobicContact CD1-CD1 3.79Å; L15-E98 HydrophobicContact CD1-CB 4.26Å; L15-E98 HydrophobicContact CD1-CG 3.94Å; L15-E98 HydrophobicContact CD2-CG 3.84Å; L15-I101 HydrophobicContact CB-CG2 3.9Å; L15-I101 HydrophobicContact CD1-CB 4.48Å; L15-I101 HydrophobicContact CD1-CD1 3.98Å; L15-I101 HydrophobicContact CD1-CG2 4.32Å
16I96.4Very high93.5Very high2 Ų254.5 Ų54.51%0.0127%0.269CS..EExtended strand (participates in β ladder)trans-135.1134176.1-62-69.5000108.3F6 I7 V14 I101 F105 I108 Y109 L112F6-I16 WeakPolarHBondContact CA-O 3.42Å; I7-I16 HydrophobicContact CB-CB 3.99Å; I7-I16 HydrophobicContact CB-CG1 4.45Å; I7-I16 HydrophobicContact CD1-CB 4.07Å; I7-I16 HydrophobicContact CD1-CG1 4.14Å; I7-I16 HydrophobicContact CG1-CB 4Å; I7-I16 PolarHBondContact N-O 3.19Å; I7-I16 PolarHBondContact O-N 3.33Å; V14-I16 VanDerWaalsContact CG1-O 3.24Å; V14-I16 WeakPolarHBondContact CG1-O 3.08Å; I16-I101 HydrophobicContact CD1-CG2 4.28Å; I16-I101 HydrophobicContact CG1-CG2 3.76Å; I16-F105 HydrophobicContact CD1-CB 4.25Å; I16-I108 HydrophobicContact CD1-CB 4.42Å; I16-I108 HydrophobicContact CD1-CG2 4.11Å; I16-I108 HydrophobicContact CG1-CG2 4.03Å; I16-I108 HydrophobicContact CG2-CG2 4.35Å; I16-Y109 HydrophobicContact CD1-CD2 4.38Å; I16-Y109 HydrophobicContact CD1-CE2 3.89Å; I16-Y109 HydrophobicContact CG2-CE1 4.1Å; I16-L112 HydrophobicContact CG2-CD1 3.72Å
17S95Very high93.1Very high52 Ų5259.8 Ų59.836%0.36430%0.297SS..EExtended strand (participates in β ladder)trans-126.6114.5171.7176.80000108.8F6 Y109F6-S17 WeakPolarHBondContact CE1-OG 3.47Å; S17-Y109 PolarHBondContact N-OH 3.23Å; S17-Y109 WeakPolarHBondContact O-CE1 3.49Å; S17-Y109 PolarHBondContact O-OH 2.81Å; S17-Y109 VanDerWaalsContact O-OH 3.13Å
18R95.6Very high92.6Very high84 Ų8460.1 Ų60.132%0.31730%0.3SS..EExtended strand (participates in β ladder)trans-127.9119172.1-16462.9177.6177.66.7110.4G4 L5 Y20 Y109 L112 D113G4-R18 CarbonylContact C-O 3.54Å; G4-R18 WeakPolarHBondContact CA-O 3.32Å; L5-R18 PolarHBondContact N-O 2.77Å; L5-R18 PolarHBondContact O-N 2.91Å; R18-Y20 HydrophobicContact CB-CE2 4.2Å; R18-Y20 HydrophobicContact CG-CE1 3.99Å; R18-Y20 HydrophobicContact CG-CE2 3.92Å; R18-Y109 HydrophobicContact CB-CE1 4.42Å; R18-L112 HydrophobicContact CB-CD1 3.95Å; R18-L112 HydrophobicContact CG-CB 4.48Å; R18-L112 HydrophobicContact CG-CD1 4.44Å; R18-D113 IonicContact CZ-OD1 3.99Å; R18-D113 IonicContact CZ-OD2 3.42Å; R18-D113 VanDerWaalsContact CZ-OD2 3.23Å; R18-D113 IonicContact NE-OD1 3.83Å; R18-D113 PolarHBondContact NE-OD1 3.44Å; R18-D113 IonicContact NE-OD2 3.67Å; R18-D113 IonicContact NH1-OD2 3.87Å; R18-D113 IonicContact NH2-OD1 2.7Å; R18-D113 PolarHBondContact NH2-OD1 2.69Å; R18-D113 IonicContact NH2-OD2 2.68Å; R18-D113 PolarHBondContact NH2-OD2 3.13Å
19V95.7Very high92.1Very high67 Ų6761.1 Ų61.141%0.40631%0.306SS..EExtended strand (participates in β ladder)trans-105.5133.2179.7177.60000107.9F6 R21 I24F6-V19 HydrophobicContact CE1-CG2 4.17Å; F6-V19 HydrophobicContact CZ-CG2 4.22Å; V19-R21 WeakPolarHBondContact CG1-O 3.37Å; V19-I24 HydrophobicContact CG1-CB 4.28Å
20Y96Very high91.8Very high21 Ų2164.5 Ų64.58%0.08232%0.324CS..  trans-113.2-13.6-178.9-62.1-78.9000112.6G3 L5 R18 L112 L116 F118G3-Y20 PolarHBondContact O-N 3.42Å; L5-Y20 HydrophobicContact CB-CE2 4.06Å; R18-Y20 HydrophobicContact CB-CE2 4.2Å; R18-Y20 HydrophobicContact CG-CE1 3.99Å; R18-Y20 HydrophobicContact CG-CE2 3.92Å; Y20-L112 WeakPolarHBondContact OH-CB 3.45Å; Y20-L112 PolarHBondContact OH-O 3.33Å; Y20-L116 HydrophobicContact CD1-CG 4.43Å; Y20-L116 WeakPolarHBondContact CD1-O 3.2Å; Y20-L116 HydrophobicContact CD2-CD2 3.78Å; Y20-L116 HydrophobicContact CD2-CG 4.37Å; Y20-L116 HydrophobicContact CE1-CB 4.13Å; Y20-L116 HydrophobicContact CE1-CD2 4.24Å; Y20-L116 HydrophobicContact CE1-CG 4.07Å; Y20-L116 WeakPolarHBondContact CE1-O 3.48Å; Y20-L116 HydrophobicContact CE2-CD2 3.28Å; Y20-L116 HydrophobicContact CE2-CG 4.01Å; Y20-L116 HydrophobicContact CG-CD2 4.42Å; Y20-F118 WeakPolarHBondContact O-CD2 3.44Å; Y20-F118 WeakPolarHBondContact O-CE2 3.4Å
21R94Very high91.8Very high32 Ų3260.9 Ų60.912%0.12131%0.311CS..SBendtrans-139.6143.7176.1-65.4-164.7175.6-124.3-3.5111.7G3 V19 D23 I24 F118G3-R21 PolarHBondContact O-N 2.96Å; V19-R21 WeakPolarHBondContact CG1-O 3.37Å; R21-D23 WeakPolarHBondContact CB-OD1 3.29Å; R21-D23 PolarHBondContact O-N 2.77Å; R21-D23 VanDerWaalsContact O-N 3.15Å; R21-I24 PolarHBondContact O-N 2.93Å; R21-F118 HydrophobicContact CG-CD2 4.36Å; R21-F118 HydrophobicContact CG-CE2 3.98Å; R21-F118 HydrophobicContact CG-CZ 4.24Å; R21-F118 PolarHBondContact NH2-O 3.4Å
22D92Very high91.7Very high168 Ų16855.5 Ų55.590%0.89829%0.288SS*.THydrogen-bonded Turntrans-66.3-17.8-175.9-54.6-31.8000113.5I24D22-I24 PolarHBondContact O-N 3.13Å
23D91.7Very high91.7Very high52 Ų5260.1 Ų60.128%0.27831%0.305SS..THydrogen-bonded Turntrans-75.6-8.3179.371.3-34000113.5R21 K70R21-D23 WeakPolarHBondContact CB-OD1 3.29Å; R21-D23 PolarHBondContact O-N 2.77Å; R21-D23 VanDerWaalsContact O-N 3.15Å; D23-K70 HydrophobicContact CB-CD 4.32Å; D23-K70 VanDerWaalsContact O-CE 3.3Å; D23-K70 WeakPolarHBondContact O-CE 3.48Å; D23-K70 PolarHBondContact O-NZ 2.94Å
24I92.2Very high91.5Very high9 Ų959.4 Ų59.45%0.04631%0.307CS..  trans-100.3101.6176-55.1-50.9000110.3G3 F6 V19 R21 D22 A28 V68 K70G3-I24 VanDerWaalsContact C-CG1 3.47Å; F6-I24 HydrophobicContact CE2-CG2 4.13Å; F6-I24 HydrophobicContact CZ-CG2 3.81Å; V19-I24 HydrophobicContact CG1-CB 4.28Å; R21-I24 PolarHBondContact O-N 2.93Å; D22-I24 PolarHBondContact O-N 3.13Å; I24-A28 HydrophobicContact CG2-CB 3.96Å; I24-V68 HydrophobicContact CD1-CG1 4.01Å; I24-V68 HydrophobicContact CG2-CG1 4.38Å; I24-K70 HydrophobicContact CD1-CD 4.49Å; I24-K70 HydrophobicContact CD1-CG 4.17Å
25G85.2Confident91.2Very high33 Ų3360.6 Ų60.634%0.3431%0.311SS..  trans-89.4175.3175.800000114N27 A28G25-N27 VanDerWaalsContact C-OD1 3.25Å; G25-N27 WeakPolarHBondContact CA-OD1 3.39Å; G25-N27 PolarHBondContact O-N 3.34Å; G25-N27 PolarHBondContact O-OD1 3.42Å; G25-A28 WeakPolarHBondContact O-CB 3.26Å; G25-A28 PolarHBondContact O-N 3.24Å
26R82.9Confident91Very high223 Ų22359.4 Ų59.484%0.84231%0.305SS*.Hα-helixtrans-57.6-29.4174.8-64.2-178.9-172.1177.92.4112.9A28 V29 D30R26-A28 PolarHBondContact O-N 2.79Å; R26-V29 WeakPolarHBondContact O-CB 3.35Å; R26-V29 PolarHBondContact O-N 2.69Å; R26-V29 VanDerWaalsContact O-N 3.12Å; R26-D30 PolarHBondContact O-N 2.98Å
27N87.1Confident90.7Very high112 Ų11260.4 Ų60.460%0.59931%0.31SS*.Hα-helixtrans-57.9-31.9175.158.7-15.1000113.6G25 V29 A31G25-N27 VanDerWaalsContact C-OD1 3.25Å; G25-N27 WeakPolarHBondContact CA-OD1 3.39Å; G25-N27 PolarHBondContact O-N 3.34Å; G25-N27 PolarHBondContact O-OD1 3.42Å; N27-V29 VanDerWaalsContact C-N 3.34Å; N27-A31 VanDerWaalsContact O-CB 3.29Å; N27-A31 WeakPolarHBondContact O-CB 3.47Å; N27-A31 PolarHBondContact O-N 2.8Å
28A87.1Confident90.5Very high6 Ų663.1 Ų63.15%0.0532%0.317CS..Hα-helixtrans-67.1-37.8177.500000111.9I24 G25 R26 A31 F32 F55 V68I24-A28 HydrophobicContact CG2-CB 3.96Å; G25-A28 WeakPolarHBondContact O-CB 3.26Å; G25-A28 PolarHBondContact O-N 3.24Å; R26-A28 PolarHBondContact O-N 2.79Å; A28-A31 PolarHBondContact O-N 3.37Å; A28-F32 PolarHBondContact O-N 3.09Å; A28-F32 VanDerWaalsContact O-N 3.13Å; A28-F55 HydrophobicContact CB-CE1 4.35Å; A28-F55 HydrophobicContact CB-CZ 4.21Å; A28-F55 VanDerWaalsContact O-CE1 3.26Å; A28-F55 WeakPolarHBondContact O-CE1 3.31Å; A28-V68 HydrophobicContact CB-CG1 4.22Å
29V86Confident90.1Very high21 Ų2161 Ų6113%0.12732%0.318CS..Hα-helixtrans-62.8-48.1178-178.70000110.7F6 Y8 V14 R26 N27 F32 R33F6-V29 HydrophobicContact CD1-CG2 3.74Å; F6-V29 HydrophobicContact CE1-CG2 3.37Å; F6-V29 HydrophobicContact CE2-CG2 4.22Å; F6-V29 HydrophobicContact CG-CG2 4.34Å; F6-V29 HydrophobicContact CZ-CG2 3.63Å; Y8-V29 HydrophobicContact CE1-CG1 3.88Å; Y8-V29 WeakPolarHBondContact OH-CA 3.4Å; V14-V29 HydrophobicContact CG2-CG1 3.25Å; R26-V29 WeakPolarHBondContact O-CB 3.35Å; R26-V29 PolarHBondContact O-N 2.69Å; R26-V29 VanDerWaalsContact O-N 3.12Å; N27-V29 VanDerWaalsContact C-N 3.34Å; V29-F32 PolarHBondContact O-N 3.5Å; V29-R33 PolarHBondContact O-N 2.8Å
30D89.7Confident89.3Confident72 Ų7270.1 Ų70.139%0.38535%0.345SS..Hα-helixtrans-65.9-39.7177.4-73.8-43000112.5R26 F32 R33 V34R26-D30 PolarHBondContact O-N 2.98Å; D30-F32 VanDerWaalsContact C-N 3.31Å; D30-F32 PolarHBondContact O-N 3.26Å; D30-R33 PolarHBondContact O-N 3.05Å; D30-R33 IonicContact OD1-CZ 2.66Å; D30-R33 IonicContact OD1-NE 3.41Å; D30-R33 IonicContact OD1-NH2 2.69Å; D30-R33 PolarHBondContact OD1-NH2 3.49Å; D30-V34 WeakPolarHBondContact O-CG2 3.34Å; D30-V34 PolarHBondContact O-N 2.88Å
31A90.9Very high88.5Confident23 Ų2375.1 Ų75.119%0.1937%0.369CS..Hα-helixtrans-59.5-42.5178.200000111.7N27 A28 N35 I50 F55N27-A31 VanDerWaalsContact O-CB 3.29Å; N27-A31 WeakPolarHBondContact O-CB 3.47Å; N27-A31 PolarHBondContact O-N 2.8Å; A28-A31 PolarHBondContact O-N 3.37Å; A31-N35 VanDerWaalsContact O-CB 3.29Å; A31-N35 WeakPolarHBondContact O-CB 2.92Å; A31-N35 PolarHBondContact O-N 3.01Å; A31-N35 PolarHBondContact O-ND2 3.07Å; A31-I50 HydrophobicContact CB-CG2 4.38Å; A31-F55 HydrophobicContact CB-CZ 4.27Å
32F91.5Very high87.8Confident0 Ų082.1 Ų82.10%040%0.403CS..Hα-helixtrans-64.7-47177.2-172.7-104000112Y8 A28 V29 D30 V34 V36 I37 F55 H57 W64 A66Y8-F32 AromaticContact CD2-CD1 3.75Å; Y8-F32 HydrophobicContact CD2-CD1 3.75Å; Y8-F32 AromaticContact CD2-CE1 3.76Å; Y8-F32 HydrophobicContact CD2-CE1 3.76Å; Y8-F32 HydrophobicContact CE1-CD1 4.28Å; Y8-F32 AromaticContact CE2-CD1 3.32Å; Y8-F32 HydrophobicContact CE2-CD1 3.32Å; Y8-F32 AromaticContact CE2-CE1 3.73Å; Y8-F32 HydrophobicContact CE2-CE1 3.73Å; Y8-F32 HydrophobicContact CE2-CG 4.23Å; Y8-F32 HydrophobicContact CG-CD1 4.4Å; Y8-F32 AromaticContact CZ-CD1 3.65Å; A28-F32 PolarHBondContact O-N 3.09Å; A28-F32 VanDerWaalsContact O-N 3.13Å; V29-F32 PolarHBondContact O-N 3.5Å; D30-F32 VanDerWaalsContact C-N 3.31Å; D30-F32 PolarHBondContact O-N 3.26Å; F32-V34 PolarHBondContact O-N 2.82Å; F32-V36 HydrophobicContact CD2-CB 3.92Å; F32-V36 HydrophobicContact CD2-CG1 4.41Å; F32-V36 HydrophobicContact CD2-CG2 3.67Å; F32-V36 HydrophobicContact CE2-CB 3.75Å; F32-V36 HydrophobicContact CE2-CG1 3.73Å; F32-V36 HydrophobicContact CE2-CG2 3.75Å; F32-V36 HydrophobicContact CG-CB 4.46Å; F32-V36 HydrophobicContact CG-CG2 4.5Å; F32-V36 HydrophobicContact CZ-CB 4.14Å; F32-V36 HydrophobicContact CZ-CG1 3.9Å; F32-V36 WeakPolarHBondContact O-CA 3.47Å; F32-V36 VanDerWaalsContact O-CB 3.31Å; F32-V36 WeakPolarHBondContact O-CB 3.37Å; F32-V36 PolarHBondContact O-N 3.42Å; F32-I37 HydrophobicContact CD1-CD1 3.93Å; F32-I37 HydrophobicContact CD1-CG1 4.12Å; F32-I37 HydrophobicContact CE1-CD1 3.79Å; F32-I37 HydrophobicContact CE1-CG1 3.83Å; F32-I37 PolarHBondContact O-N 2.96Å; F32-F55 HydrophobicContact CB-CD1 3.83Å; F32-F55 HydrophobicContact CB-CE1 3.81Å; F32-F55 HydrophobicContact CD2-CB 3.9Å; F32-F55 AromaticContact CD2-CD1 3.56Å; F32-F55 HydrophobicContact CD2-CD1 3.56Å; F32-F55 HydrophobicContact CD2-CE1 4.4Å; F32-F55 AromaticContact CD2-CG 3.94Å; F32-F55 HydrophobicContact CD2-CG 3.94Å; F32-F55 HydrophobicContact CE2-CB 4.19Å; F32-F55 HydrophobicContact CG-CD1 4.05Å; F32-H57 HydrophobicContact CE2-CB 3.75Å; F32-H57 AromaticContact CE2-CG 3.72Å; F32-H57 AromaticContact CE2-ND1 3.69Å; F32-H57 HydrophobicContact CZ-CB 3.55Å; F32-H57 AromaticContact CZ-CG 3.75Å; F32-W64 HydrophobicContact CE1-CB 4.47Å; F32-W64 HydrophobicContact CZ-CE3 4.42Å; F32-A66 HydrophobicContact CD1-CB 4.15Å; F32-A66 HydrophobicContact CD2-CB 4.3Å; F32-A66 HydrophobicContact CE1-CB 3.83Å; F32-A66 HydrophobicContact CE2-CB 3.99Å; F32-A66 HydrophobicContact CG-CB 4.37Å; F32-A66 HydrophobicContact CZ-CB 3.76Å
33R91Very high86.9Confident98 Ų9877 Ų7737%0.3738%0.377SS..Iπ-helixtrans-55.5-51.3177.3174.4177.965.8161.3-4.6111.9G12 V29 D30 I37 H38G12-R33 WeakPolarHBondContact O-CD 3.38Å; V29-R33 PolarHBondContact O-N 2.8Å; D30-R33 PolarHBondContact O-N 3.05Å; D30-R33 IonicContact OD1-CZ 2.66Å; D30-R33 IonicContact OD1-NE 3.41Å; D30-R33 IonicContact OD1-NH2 2.69Å; D30-R33 PolarHBondContact OD1-NH2 3.49Å; R33-I37 WeakPolarHBondContact O-CB 3.48Å; R33-I37 PolarHBondContact O-N 3.38Å; R33-H38 PolarHBondContact O-N 3.16Å
34V89.9Confident86.2Confident82 Ų8284.5 Ų84.550%0.49740%0.402SS..Iπ-helixtrans-71.8-45.5-174.4175.10000111.8D30 F32D30-V34 WeakPolarHBondContact O-CG2 3.34Å; D30-V34 PolarHBondContact O-N 2.88Å; F32-V34 PolarHBondContact O-N 2.82Å
35N89.5Confident86.2Confident86 Ų8686.5 Ų86.546%0.4642%0.417SS..Iπ-helixtrans-93.2-18.5-168.7-62.5-77.2000114.3A31 I50A31-N35 VanDerWaalsContact O-CB 3.29Å; A31-N35 WeakPolarHBondContact O-CB 2.92Å; A31-N35 PolarHBondContact O-N 3.01Å; A31-N35 PolarHBondContact O-ND2 3.07Å; N35-I50 HydrophobicContact CB-CD1 3.67Å; N35-I50 HydrophobicContact CB-CG1 4.42Å
36V91.5Very high86.7Confident4 Ų488.2 Ų88.22%0.02442%0.422CS..Iπ-helixtrans-113.4-55.7-179.4-1740000111.1F32 A39 V43 T48 I50F32-V36 HydrophobicContact CD2-CB 3.92Å; F32-V36 HydrophobicContact CD2-CG1 4.41Å; F32-V36 HydrophobicContact CD2-CG2 3.67Å; F32-V36 HydrophobicContact CE2-CB 3.75Å; F32-V36 HydrophobicContact CE2-CG1 3.73Å; F32-V36 HydrophobicContact CE2-CG2 3.75Å; F32-V36 HydrophobicContact CG-CB 4.46Å; F32-V36 HydrophobicContact CG-CG2 4.5Å; F32-V36 HydrophobicContact CZ-CB 4.14Å; F32-V36 HydrophobicContact CZ-CG1 3.9Å; F32-V36 WeakPolarHBondContact O-CA 3.47Å; F32-V36 VanDerWaalsContact O-CB 3.31Å; F32-V36 WeakPolarHBondContact O-CB 3.37Å; F32-V36 PolarHBondContact O-N 3.42Å; V36-A39 WeakPolarHBondContact O-CB 3.48Å; V36-V43 HydrophobicContact CG1-CG1 4.15Å; V36-V43 HydrophobicContact CG1-CG2 4.01Å; V36-V43 WeakPolarHBondContact O-CG2 3.46Å; V36-T48 HydrophobicContact CG2-CG2 4.23Å; V36-I50 HydrophobicContact CG2-CD1 4.24Å
37I91Very high87.3Confident24 Ų2480 Ų8012%0.12340%0.397CS..Iπ-helixtrans-71.4-43.4-175.3-58.9178.7000111.3Y8 F32 R33 W64Y8-I37 HydrophobicContact CD1-CD1 4.06Å; Y8-I37 HydrophobicContact CD2-CD1 4.27Å; Y8-I37 HydrophobicContact CG-CD1 3.76Å; F32-I37 HydrophobicContact CD1-CD1 3.93Å; F32-I37 HydrophobicContact CD1-CG1 4.12Å; F32-I37 HydrophobicContact CE1-CD1 3.79Å; F32-I37 HydrophobicContact CE1-CG1 3.83Å; F32-I37 PolarHBondContact O-N 2.96Å; R33-I37 WeakPolarHBondContact O-CB 3.48Å; R33-I37 PolarHBondContact O-N 3.38Å; I37-W64 HydrophobicContact CD1-CG 4.4Å; I37-W64 HydrophobicContact CG1-CD2 4.49Å
38H89.8Confident87.6Confident108 Ų10876.5 Ų76.550%0.538%0.379SS..THydrogen-bonded Turntrans-94.716.3178.4-63.4147.8000114.1K11 R33 R40K11-H38 PolarHBondContact O-CE1 2.81Å; K11-H38 VanDerWaalsContact O-CE1 3.28Å; K11-H38 PolarHBondContact O-NE2 3.28Å; K11-H38 VanDerWaalsContact O-NE2 3.15Å; R33-H38 PolarHBondContact O-N 3.16Å; H38-R40 PolarHBondContact O-N 3.3Å
39A87.4Confident87.9Confident41 Ų4181 Ų8134%0.33940%0.402SS..  trans-59125.6175.600000110.3V36 Q41V36-A39 WeakPolarHBondContact O-CB 3.48Å; A39-Q41 WeakPolarHBondContact CB-O 3.44Å; A39-Q41 PolarHBondContact O-N 3.18Å
40R79.7Confident88.1Confident257 Ų25781.5 Ų81.597%0.9740%0.404SS*.SBendtrans-63.3-30.9174.8-68.9-175.2179.6-178.20112.1H38H38-R40 PolarHBondContact O-N 3.3Å
41Q79.5Confident88.1Confident126 Ų12682.4 Ų82.459%0.58942%0.422SS*.SBendtrans-90.8146.3174.2-62.9-171.51.700109.5A39 V43A39-Q41 WeakPolarHBondContact CB-O 3.44Å; A39-Q41 PolarHBondContact O-N 3.18Å; Q41-V43 PolarHBondContact O-N 3.05Å
42Q78.2Confident88.1Confident180 Ų18092 Ų9284%0.84145%0.453SS*.  trans-55.1136.3175-68.8-170-8.200110.6R44Q42-R44 WeakPolarHBondContact O-CG 3.47Å; Q42-R44 PolarHBondContact O-N 2.83Å; Q42-R44 VanDerWaalsContact O-N 3.08Å
43V73.6Confident88.2Confident59 Ų5992.6 Ų92.636%0.35846%0.457SS..  trans-56.5114.5176.81790000108.9V36 Q41 H57 W64V36-V43 HydrophobicContact CG1-CG1 4.15Å; V36-V43 HydrophobicContact CG1-CG2 4.01Å; V36-V43 WeakPolarHBondContact O-CG2 3.46Å; Q41-V43 PolarHBondContact O-N 3.05Å; V43-H57 WeakPolarHBondContact CG1-NE2 3.47Å; V43-W64 HydrophobicContact CG2-CH2 4.02Å
44R76.5Confident88.5Confident211 Ų21189.1 Ų89.180%0.79645%0.447SS*.  trans-86.2-23.8-172.2-60.2-171.9-171.7-165.73113.8Q42Q42-R44 WeakPolarHBondContact O-CG 3.47Å; Q42-R44 PolarHBondContact O-N 2.83Å; Q42-R44 VanDerWaalsContact O-N 3.08Å
45S92.8Very high88.8Confident51 Ų5185.2 Ų85.236%0.35742%0.424SS..  trans-145.7137.8-169.5175.20000111.1V47 H57S45-V47 WeakPolarHBondContact CB-O 3.41Å; S45-V47 PolarHBondContact O-N 3.16Å; S45-V47 PolarHBondContact OG-N 3.37Å; S45-V47 VanDerWaalsContact OG-N 3.12Å; S45-V47 PolarHBondContact OG-O 3.49Å; S45-H57 PolarHBondContact O-CE1 3.11Å; S45-H57 PolarHBondContact O-NE2 3.3Å
46P95Very high89.1Confident69 Ų6981.6 Ų81.645%0.44840%0.404SS..SBendtrans-72.5-7.1172.933.6-36.9000112.9F56 H57 F79P46-F56 WeakPolarHBondContact O-CA 3.31Å; P46-H57 PolarHBondContact O-N 3.06Å; P46-H57 PolarHBondContact O-ND1 2.99Å; P46-F79 HydrophobicContact CB-CE1 3.96Å; P46-F79 HydrophobicContact CB-CZ 3.77Å; P46-F79 HydrophobicContact CG-CZ 4.09Å
47V95.9Very high89.4Confident51 Ų5181.9 Ų81.931%0.30941%0.405SS..EExtended strand (participates in β ladder)trans-119.5120.9170.8-172.60000108.7S45 F55 F56 F79S45-V47 WeakPolarHBondContact CB-O 3.41Å; S45-V47 PolarHBondContact O-N 3.16Å; S45-V47 PolarHBondContact OG-N 3.37Å; S45-V47 VanDerWaalsContact OG-N 3.12Å; S45-V47 PolarHBondContact OG-O 3.49Å; V47-F55 WeakPolarHBondContact CA-O 3.24Å; V47-F56 HydrophobicContact CG1-CD1 4.15Å; V47-F56 HydrophobicContact CG1-CE1 3.9Å; V47-F56 HydrophobicContact CG1-CZ 4.32Å; V47-F56 HydrophobicContact CG2-CD1 3.66Å; V47-F56 HydrophobicContact CG2-CE1 3.89Å; V47-F79 HydrophobicContact CG2-CE2 3.57Å; V47-F79 HydrophobicContact CG2-CZ 3.6Å
48T93.7Very high89.6Confident37 Ų3781.1 Ų81.123%0.22740%0.402CS..EExtended strand (participates in β ladder)trans-121.8135.2177.3-49.80000109.3V36 I50 F55V36-T48 HydrophobicContact CG2-CG2 4.23Å; T48-I50 HydrophobicContact CG2-CD1 4.18Å; T48-I50 HydrophobicContact CG2-CG1 3.86Å; T48-F55 PolarHBondContact N-O 2.75Å; T48-F55 PolarHBondContact O-N 3.44Å
49N93.1Very high89.7Confident101 Ų10181.5 Ų81.554%0.5440%0.402SS..EExtended strand (participates in β ladder)trans-106.6120.6172.1-168.1-88.6000109.2R52 T53 S54N49-R52 PolarHBondContact OD1-N 2.98Å; N49-T53 CarbonylContact C-O 3.6Å; N49-T53 WeakPolarHBondContact CA-O 3.49Å; N49-S54 PolarHBondContact ND2-OG 3.29Å; N49-S54 VanDerWaalsContact ND2-OG 3.16Å
50I91Very high90Very high31 Ų3184.1 Ų84.116%0.15940%0.403CS..EExtended strand (participates in β ladder)trans-127.4120.1179.8-52.2163.5000107A31 N35 V36 T48 R52 T53 F55A31-I50 HydrophobicContact CB-CG2 4.38Å; N35-I50 HydrophobicContact CB-CD1 3.67Å; N35-I50 HydrophobicContact CB-CG1 4.42Å; V36-I50 HydrophobicContact CG2-CD1 4.24Å; T48-I50 HydrophobicContact CG2-CD1 4.18Å; T48-I50 HydrophobicContact CG2-CG1 3.86Å; I50-R52 VanDerWaalsContact C-N 3.3Å; I50-R52 PolarHBondContact O-N 3.49Å; I50-T53 PolarHBondContact N-O 3.35Å; I50-T53 WeakPolarHBondContact O-CA 3.4Å; I50-T53 WeakPolarHBondContact O-CB 3.19Å; I50-T53 PolarHBondContact O-N 3.17Å; I50-F55 HydrophobicContact CB-CD2 4.33Å; I50-F55 HydrophobicContact CB-CE2 3.89Å; I50-F55 HydrophobicContact CD1-CD2 3.9Å; I50-F55 HydrophobicContact CD1-CE2 3.88Å; I50-F55 HydrophobicContact CG1-CD2 4.17Å; I50-F55 HydrophobicContact CG1-CE2 4.17Å
51A88.6Confident90.4Very high92 Ų9276.1 Ų76.176%0.7639%0.386SS*.THydrogen-bonded Turntrans47.949.5179.800000113.1T53A51-T53 PolarHBondContact O-N 3.24Å; A51-T53 VanDerWaalsContact O-N 3.13Å
52R90.8Very high91Very high223 Ų22375 Ų7584%0.84238%0.384SS*.THydrogen-bonded Turntrans61.314.6-177.2-54.4-176.2176.9-171.8-0.7115.2N49 I50N49-R52 PolarHBondContact OD1-N 2.98Å; I50-R52 VanDerWaalsContact C-N 3.3Å; I50-R52 PolarHBondContact O-N 3.49Å
53T94.3Very high91.8Very high13 Ų1366.6 Ų66.68%0.0835%0.345CS..EExtended strand (participates in β ladder)trans-107.4126.9173-52.70000108.8N49 I50 A51 F55 V68 K70N49-T53 CarbonylContact C-O 3.6Å; N49-T53 WeakPolarHBondContact CA-O 3.49Å; I50-T53 PolarHBondContact N-O 3.35Å; I50-T53 WeakPolarHBondContact O-CA 3.4Å; I50-T53 WeakPolarHBondContact O-CB 3.19Å; I50-T53 PolarHBondContact O-N 3.17Å; A51-T53 PolarHBondContact O-N 3.24Å; A51-T53 VanDerWaalsContact O-N 3.13Å; T53-F55 HydrophobicContact CG2-CD2 4.45Å; T53-F55 HydrophobicContact CG2-CE2 3.7Å; T53-F55 HydrophobicContact CG2-CZ 3.8Å; T53-F55 VanDerWaalsContact O-CD2 3.31Å; T53-F55 WeakPolarHBondContact O-CD2 3.19Å; T53-F55 WeakPolarHBondContact O-CE2 3.49Å; T53-V68 HydrophobicContact CG2-CG1 3.43Å; T53-V68 VanDerWaalsContact CG2-CG1 3.43Å; T53-K70 HydrophobicContact CG2-CG 4.06Å; T53-K70 WeakPolarHBondContact OG1-CE 3.46Å
54S95.9Very high92.9Very high25 Ų2565 Ų6518%0.17533%0.332CS..EExtended strand (participates in β ladder)trans-92.5132.2-180-65.20000110.7N49 V68 T69N49-S54 PolarHBondContact ND2-OG 3.29Å; N49-S54 VanDerWaalsContact ND2-OG 3.16Å; S54-V68 WeakPolarHBondContact O-CA 3.24Å; S54-T69 PolarHBondContact N-O 3.24Å; S54-T69 PolarHBondContact O-N 2.93Å
55F96.1Very high93.8Very high1 Ų154.9 Ų54.90%0.00430%0.295CS..EExtended strand (participates in β ladder)trans-119.4106.2-179.8-64.3-95.1000109.3A28 A31 F32 V47 T48 I50 T53 V68A28-F55 HydrophobicContact CB-CE1 4.35Å; A28-F55 HydrophobicContact CB-CZ 4.21Å; A28-F55 VanDerWaalsContact O-CE1 3.26Å; A28-F55 WeakPolarHBondContact O-CE1 3.31Å; A31-F55 HydrophobicContact CB-CZ 4.27Å; F32-F55 HydrophobicContact CB-CD1 3.83Å; F32-F55 HydrophobicContact CB-CE1 3.81Å; F32-F55 HydrophobicContact CD2-CB 3.9Å; F32-F55 AromaticContact CD2-CD1 3.56Å; F32-F55 HydrophobicContact CD2-CD1 3.56Å; F32-F55 HydrophobicContact CD2-CE1 4.4Å; F32-F55 AromaticContact CD2-CG 3.94Å; F32-F55 HydrophobicContact CD2-CG 3.94Å; F32-F55 HydrophobicContact CE2-CB 4.19Å; F32-F55 HydrophobicContact CG-CD1 4.05Å; V47-F55 WeakPolarHBondContact CA-O 3.24Å; T48-F55 PolarHBondContact N-O 2.75Å; T48-F55 PolarHBondContact O-N 3.44Å; I50-F55 HydrophobicContact CB-CD2 4.33Å; I50-F55 HydrophobicContact CB-CE2 3.89Å; I50-F55 HydrophobicContact CD1-CD2 3.9Å; I50-F55 HydrophobicContact CD1-CE2 3.88Å; I50-F55 HydrophobicContact CG1-CD2 4.17Å; I50-F55 HydrophobicContact CG1-CE2 4.17Å; T53-F55 HydrophobicContact CG2-CD2 4.45Å; T53-F55 HydrophobicContact CG2-CE2 3.7Å; T53-F55 HydrophobicContact CG2-CZ 3.8Å; T53-F55 VanDerWaalsContact O-CD2 3.31Å; T53-F55 WeakPolarHBondContact O-CD2 3.19Å; T53-F55 WeakPolarHBondContact O-CE2 3.49Å; F55-V68 HydrophobicContact CD1-CB 4.35Å; F55-V68 HydrophobicContact CD1-CG1 4.06Å; F55-V68 HydrophobicContact CD1-CG2 3.46Å; F55-V68 VanDerWaalsContact CD1-CG2 3.46Å; F55-V68 HydrophobicContact CE1-CB 4.34Å; F55-V68 HydrophobicContact CE1-CG1 3.71Å; F55-V68 HydrophobicContact CE1-CG2 3.61Å; F55-V68 HydrophobicContact CG-CG2 4.45Å; F55-V68 HydrophobicContact CZ-CG1 4.07Å
56F97.6Very high94Very high10 Ų1052.5 Ų52.54%0.04428%0.278CS..EExtended strand (participates in β ladder)trans-92.1123.2172.4-57.1-94.7000107.5P46 V47 A66 A67 T69 V73 A75 V78 F79 L82P46-F56 WeakPolarHBondContact O-CA 3.31Å; V47-F56 HydrophobicContact CG1-CD1 4.15Å; V47-F56 HydrophobicContact CG1-CE1 3.9Å; V47-F56 HydrophobicContact CG1-CZ 4.32Å; V47-F56 HydrophobicContact CG2-CD1 3.66Å; V47-F56 HydrophobicContact CG2-CE1 3.89Å; F56-A66 CarbonylContact O-C 3.57Å; F56-A66 VanDerWaalsContact O-CA 3.28Å; F56-A66 WeakPolarHBondContact O-CA 3.41Å; F56-A67 HydrophobicContact CB-CB 4.36Å; F56-A67 PolarHBondContact N-O 3.23Å; F56-A67 PolarHBondContact O-N 2.99Å; F56-T69 HydrophobicContact CD2-CG2 4.35Å; F56-T69 HydrophobicContact CE2-CG2 3.66Å; F56-V73 HydrophobicContact CE2-CG2 4.03Å; F56-V73 HydrophobicContact CZ-CG2 3.98Å; F56-A75 HydrophobicContact CD1-CB 4.3Å; F56-A75 HydrophobicContact CE1-CB 3.53Å; F56-A75 HydrophobicContact CZ-CB 4.38Å; F56-V78 HydrophobicContact CB-CG1 3.64Å; F56-V78 HydrophobicContact CD1-CB 4.3Å; F56-V78 HydrophobicContact CD1-CG1 4.23Å; F56-V78 HydrophobicContact CD2-CG1 4Å; F56-V78 HydrophobicContact CG-CB 4.22Å; F56-V78 HydrophobicContact CG-CG1 3.68Å; F56-F79 HydrophobicContact CB-CE1 4.49Å; F56-F79 HydrophobicContact CB-CZ 4.27Å; F56-F79 HydrophobicContact CD1-CD2 4.45Å; F56-F79 AromaticContact CD1-CE2 3.81Å; F56-F79 HydrophobicContact CD1-CE2 3.81Å; F56-F79 HydrophobicContact CD1-CZ 4.1Å; F56-L82 HydrophobicContact CB-CD1 4.34Å
57H96Very high94.1Very high9 Ų949.2 Ų49.24%0.04226%0.257CS..EExtended strand (participates in β ladder)trans-141.3144.7-175.161.9-87.6000113.5F32 V43 S45 P46 W64 L65 A66F32-H57 HydrophobicContact CE2-CB 3.75Å; F32-H57 AromaticContact CE2-CG 3.72Å; F32-H57 AromaticContact CE2-ND1 3.69Å; F32-H57 HydrophobicContact CZ-CB 3.55Å; F32-H57 AromaticContact CZ-CG 3.75Å; V43-H57 WeakPolarHBondContact CG1-NE2 3.47Å; S45-H57 PolarHBondContact O-CE1 3.11Å; S45-H57 PolarHBondContact O-NE2 3.3Å; P46-H57 PolarHBondContact O-N 3.06Å; P46-H57 PolarHBondContact O-ND1 2.99Å; H57-W64 AromaticContact CD2-CE3 3.91Å; H57-W64 AromaticContact CD2-CZ3 3.61Å; H57-L65 CarbonylContact C-O 3.5Å; H57-L65 WeakPolarHBondContact CA-O 3.27Å; H57-A66 HydrophobicContact CB-CB 4.15Å
58V95.9Very high94.2Very high9 Ų946.8 Ų46.86%0.05524%0.242CC..EExtended strand (participates in β ladder)trans-126.5149175.3-61.60000109.2W64 L65 F79 L82 Y83V58-W64 WeakPolarHBondContact O-CA 3.35Å; V58-L65 HydrophobicContact CG2-CB 3.84Å; V58-L65 HydrophobicContact CG2-CD1 4.44Å; V58-L65 PolarHBondContact N-O 2.97Å; V58-L65 PolarHBondContact O-N 3.44Å; V58-F79 HydrophobicContact CG1-CD1 3.82Å; V58-F79 HydrophobicContact CG1-CE1 4Å; V58-L82 HydrophobicContact CG1-CB 4.4Å; V58-L82 HydrophobicContact CG1-CD1 4.23Å; V58-L82 HydrophobicContact CG2-CB 4.13Å; V58-L82 HydrophobicContact CG2-CD1 4.42Å; V58-Y83 HydrophobicContact CB-CE1 4.27Å; V58-Y83 HydrophobicContact CG1-CD1 4.34Å; V58-Y83 HydrophobicContact CG1-CE1 3.64Å
59K92.9Very high94.3Very high115 Ų11545.1 Ų45.150%0.523%0.231SC..EExtended strand (participates in β ladder)trans-114.5122.7177.4-166.4-178.9-173.8179.30109.8S61 I63 W64K59-S61 WeakPolarHBondContact CE-O 3.29Å; K59-I63 CarbonylContact C-O 3.52Å; K59-I63 WeakPolarHBondContact CA-O 3.37Å; K59-W64 HydrophobicContact CB-CD2 4.37Å; K59-W64 HydrophobicContact CB-CE3 4.19Å; K59-W64 HydrophobicContact CB-CZ3 4.37Å; K59-W64 HydrophobicContact CD-CD2 4.31Å; K59-W64 HydrophobicContact CD-CH2 4.02Å; K59-W64 HydrophobicContact CD-CZ2 3.67Å; K59-W64 HydrophobicContact CD-CZ3 4.48Å; K59-W64 HydrophobicContact CG-CD2 4.11Å; K59-W64 HydrophobicContact CG-CE3 4.42Å; K59-W64 HydrophobicContact CG-CZ2 4.37Å
60R91.9Very high94.4Very high97 Ų9745 Ų4537%0.36623%0.226SC..EExtended strand (participates in β ladder)trans-114.2104.5171.9-67.1-59.6-169.7-177.84108.4N62 I63 L65R60-N62 PolarHBondContact O-N 2.84Å; R60-I63 PolarHBondContact N-O 2.85Å; R60-I63 PolarHBondContact O-N 3.48Å; R60-L65 HydrophobicContact CG-CD1 4.46Å
61S89.3Confident94.6Very high89 Ų8947.1 Ų47.162%0.62224%0.236SC*.THydrogen-bonded Turntrans54.2-109.2-170.5-58.70000111.5K59K59-S61 WeakPolarHBondContact CE-O 3.29Å
62N91.1Very high95Very high102 Ų10251 Ų5155%0.54524%0.243SC..THydrogen-bonded Turntrans-105.57.6-179.5-68.9-14.4000112.9N9 H10 R60N9-N62 CarbonylContact C-O 3.57Å; H10-N62 HydrophobicContact CB-CB 4.26Å; H10-N62 PolarHBondContact N-O 2.97Å; H10-N62 VanDerWaalsContact N-O 3.14Å; R60-N62 PolarHBondContact O-N 2.84Å
63I95.8Very high95.2Very high4 Ų441.3 Ų41.32%0.02121%0.209CC..EExtended strand (participates in β ladder)trans-104135.1178.9-56.7-57000109.3I7 Y8 L15 K59 R60 L65 I96 E98 I101I7-I63 HydrophobicContact CG2-CG2 3.39Å; Y8-I63 WeakPolarHBondContact O-CA 3.12Å; L15-I63 HydrophobicContact CD1-CD1 3.79Å; K59-I63 CarbonylContact C-O 3.52Å; K59-I63 WeakPolarHBondContact CA-O 3.37Å; R60-I63 PolarHBondContact N-O 2.85Å; R60-I63 PolarHBondContact O-N 3.48Å; I63-L65 HydrophobicContact CG2-CD1 3.99Å; I63-I96 HydrophobicContact CB-CG2 4.43Å; I63-I96 HydrophobicContact CG1-CG2 4.37Å; I63-I96 HydrophobicContact CG2-CG2 4.36Å; I63-E98 HydrophobicContact CD1-CB 4.08Å; I63-I101 HydrophobicContact CD1-CD1 4.09Å; I63-I101 HydrophobicContact CG1-CD1 4.06Å; I63-I101 HydrophobicContact CG2-CD1 3.8Å
64W95.8Very high95.3Very high24 Ų2445.8 Ų45.89%0.09123%0.232CC..EExtended strand (participates in β ladder)trans-107.1129.8173.1-62.683.9000109I7 Y8 F32 I37 V43 H57 V58 K59I7-W64 CarbonylContact C-O 3.49Å; I7-W64 VanDerWaalsContact CA-O 3.3Å; I7-W64 WeakPolarHBondContact CA-O 3.21Å; Y8-W64 HydrophobicContact CD2-CB 4.45Å; Y8-W64 PolarHBondContact N-O 3Å; Y8-W64 PolarHBondContact O-N 3.12Å; F32-W64 HydrophobicContact CE1-CB 4.47Å; F32-W64 HydrophobicContact CZ-CE3 4.42Å; I37-W64 HydrophobicContact CD1-CG 4.4Å; I37-W64 HydrophobicContact CG1-CD2 4.49Å; V43-W64 HydrophobicContact CG2-CH2 4.02Å; H57-W64 AromaticContact CD2-CE3 3.91Å; H57-W64 AromaticContact CD2-CZ3 3.61Å; V58-W64 WeakPolarHBondContact O-CA 3.35Å; K59-W64 HydrophobicContact CB-CD2 4.37Å; K59-W64 HydrophobicContact CB-CE3 4.19Å; K59-W64 HydrophobicContact CB-CZ3 4.37Å; K59-W64 HydrophobicContact CD-CD2 4.31Å; K59-W64 HydrophobicContact CD-CH2 4.02Å; K59-W64 HydrophobicContact CD-CZ2 3.67Å; K59-W64 HydrophobicContact CD-CZ3 4.48Å; K59-W64 HydrophobicContact CG-CD2 4.11Å; K59-W64 HydrophobicContact CG-CE3 4.42Å; K59-W64 HydrophobicContact CG-CZ2 4.37Å
65L96.8Very high95.4Very high0 Ų046.5 Ų46.50%024%0.24CC..EExtended strand (participates in β ladder)trans-108.9125.1167.9-67.180.3000106.9I7 H57 V58 R60 I63 L82I7-L65 HydrophobicContact CD1-CD2 4.5Å; I7-L65 HydrophobicContact CD1-CG 4.45Å; I7-L65 HydrophobicContact CG1-CG 4.22Å; H57-L65 CarbonylContact C-O 3.5Å; H57-L65 WeakPolarHBondContact CA-O 3.27Å; V58-L65 HydrophobicContact CG2-CB 3.84Å; V58-L65 HydrophobicContact CG2-CD1 4.44Å; V58-L65 PolarHBondContact N-O 2.97Å; V58-L65 PolarHBondContact O-N 3.44Å; R60-L65 HydrophobicContact CG-CD1 4.46Å; I63-L65 HydrophobicContact CG2-CD1 3.99Å; L65-L82 HydrophobicContact CB-CD2 4.2Å
66A96.2Very high95.4Very high0 Ų049.4 Ų49.40%026%0.264CS..EExtended strand (participates in β ladder)trans-124.6122.1179.600000110.6L5 F6 Y8 F32 F56 H57L5-A66 WeakPolarHBondContact CA-O 3.37Å; F6-A66 PolarHBondContact N-O 3.07Å; F6-A66 PolarHBondContact O-N 3.29Å; Y8-A66 HydrophobicContact CD2-CB 4.5Å; Y8-A66 HydrophobicContact CE2-CB 3.91Å; F32-A66 HydrophobicContact CD1-CB 4.15Å; F32-A66 HydrophobicContact CD2-CB 4.3Å; F32-A66 HydrophobicContact CE1-CB 3.83Å; F32-A66 HydrophobicContact CE2-CB 3.99Å; F32-A66 HydrophobicContact CG-CB 4.37Å; F32-A66 HydrophobicContact CZ-CB 3.76Å; F56-A66 CarbonylContact O-C 3.57Å; F56-A66 VanDerWaalsContact O-CA 3.28Å; F56-A66 WeakPolarHBondContact O-CA 3.41Å; H57-A66 HydrophobicContact CB-CB 4.15Å
67A97.6Very high95.4Very high1 Ų151.8 Ų51.81%0.00828%0.276CS..EExtended strand (participates in β ladder)trans-95.5134.1165.500000109.4I2 G4 F56 V78 L82I2-A67 HydrophobicContact CD1-CB 4.45Å; I2-A67 HydrophobicContact CG2-CB 4.14Å; G4-A67 CarbonylContact O-C 3.6Å; G4-A67 WeakPolarHBondContact O-CA 3.34Å; F56-A67 HydrophobicContact CB-CB 4.36Å; F56-A67 PolarHBondContact N-O 3.23Å; F56-A67 PolarHBondContact O-N 2.99Å; A67-V78 HydrophobicContact CB-CG1 3.59Å; A67-L82 HydrophobicContact CB-CD1 4.22Å; A67-L82 HydrophobicContact CB-CD2 4.12Å; A67-L82 HydrophobicContact CB-CG 4.35Å
68V97.2Very high95.5Very high0 Ų051.3 Ų51.30%027%0.274CS..EExtended strand (participates in β ladder)trans-123.1137.3-172.4-1740000109.5G3 G4 F6 I24 A28 T53 S54 F55G3-V68 WeakPolarHBondContact CA-O 3.37Å; G3-V68 PolarHBondContact N-O 3.29Å; G4-V68 PolarHBondContact N-O 3.26Å; G4-V68 VanDerWaalsContact N-O 3.09Å; G4-V68 PolarHBondContact O-N 3.38Å; F6-V68 HydrophobicContact CD2-CB 4.44Å; F6-V68 HydrophobicContact CD2-CG2 3.56Å; F6-V68 HydrophobicContact CE2-CB 3.92Å; F6-V68 HydrophobicContact CE2-CG2 3.47Å; F6-V68 VanDerWaalsContact CE2-CG2 3.47Å; I24-V68 HydrophobicContact CD1-CG1 4.01Å; I24-V68 HydrophobicContact CG2-CG1 4.38Å; A28-V68 HydrophobicContact CB-CG1 4.22Å; T53-V68 HydrophobicContact CG2-CG1 3.43Å; T53-V68 VanDerWaalsContact CG2-CG1 3.43Å; S54-V68 WeakPolarHBondContact O-CA 3.24Å; F55-V68 HydrophobicContact CD1-CB 4.35Å; F55-V68 HydrophobicContact CD1-CG1 4.06Å; F55-V68 HydrophobicContact CD1-CG2 3.46Å; F55-V68 VanDerWaalsContact CD1-CG2 3.46Å; F55-V68 HydrophobicContact CE1-CB 4.34Å; F55-V68 HydrophobicContact CE1-CG1 3.71Å; F55-V68 HydrophobicContact CE1-CG2 3.61Å; F55-V68 HydrophobicContact CG-CG2 4.45Å; F55-V68 HydrophobicContact CZ-CG1 4.07Å
69T96.7Very high95.5Very high1 Ų152.3 Ų52.31%0.00628%0.278CS..EExtended strand (participates in β ladder)trans-157148.4175.2-176.70000110.9M1 S54 F56 Q71 V73M1-T69 PolarHBondContact O-OG1 3.15Å; S54-T69 PolarHBondContact N-O 3.24Å; S54-T69 PolarHBondContact O-N 2.93Å; F56-T69 HydrophobicContact CD2-CG2 4.35Å; F56-T69 HydrophobicContact CE2-CG2 3.66Å; T69-Q71 PolarHBondContact OG1-N 3.29Å; T69-Q71 VanDerWaalsContact OG1-N 3.07Å; T69-V73 HydrophobicContact CG2-CG1 4.29Å; T69-V73 HydrophobicContact CG2-CG2 3.75Å
70K95.4Very high95.7Very high99 Ų9952.3 Ų52.343%0.4328%0.279SS..SBendtrans-96.4-3.4168.8-67.4176173.9171.30112.6D23 I24 T53D23-K70 HydrophobicContact CB-CD 4.32Å; D23-K70 VanDerWaalsContact O-CE 3.3Å; D23-K70 WeakPolarHBondContact O-CE 3.48Å; D23-K70 PolarHBondContact O-NZ 2.94Å; I24-K70 HydrophobicContact CD1-CD 4.49Å; I24-K70 HydrophobicContact CD1-CG 4.17Å; T53-K70 HydrophobicContact CG2-CG 4.06Å; T53-K70 WeakPolarHBondContact OG1-CE 3.46Å
71Q95.2Very high95.9Very high76 Ų7648.1 Ų48.136%0.35526%0.264SS..SBendtrans-93156.2-178.4-61.3-175.4-7.700111.3T69 V73T69-Q71 PolarHBondContact OG1-N 3.29Å; T69-Q71 VanDerWaalsContact OG1-N 3.07Å; Q71-V73 HydrophobicContact CB-CG1 4.16Å; Q71-V73 PolarHBondContact O-N 3.39Å; Q71-V73 VanDerWaalsContact O-N 3.11Å
72N95.4Very high96.3Very high173 Ų17343.9 Ų43.993%0.92523%0.234SC*.  trans-80.288.2172.4-173.214.4000110.1
73V96.3Very high96.6Very high19 Ų1943.4 Ų43.412%0.11523%0.225CC..  trans-99.5159.9-178.6-59.10000111.7M1 F56 T69 Q71 A75 V78M1-V73 VanDerWaalsContact N-CG1 3.29Å; F56-V73 HydrophobicContact CE2-CG2 4.03Å; F56-V73 HydrophobicContact CZ-CG2 3.98Å; T69-V73 HydrophobicContact CG2-CG1 4.29Å; T69-V73 HydrophobicContact CG2-CG2 3.75Å; Q71-V73 HydrophobicContact CB-CG1 4.16Å; Q71-V73 PolarHBondContact O-N 3.39Å; Q71-V73 VanDerWaalsContact O-N 3.11Å; V73-A75 PolarHBondContact O-N 3.43Å; V73-V78 HydrophobicContact CG2-CG2 3.72Å
74N97Very high96.5Very high107 Ų10747.9 Ų47.957%0.57224%0.244SC*.  trans-65.7108.4169-175.3-32.2000110A76 M77 V78N74-A76 VanDerWaalsContact C-N 3.29Å; N74-A76 PolarHBondContact O-N 2.9Å; N74-A76 WeakPolarHBondContact OD1-CB 3.47Å; N74-A76 PolarHBondContact OD1-N 3.45Å; N74-M77 HydrophobicContact CB-CB 4.15Å; N74-M77 PolarHBondContact O-N 2.86Å; N74-M77 PolarHBondContact OD1-N 3.1Å; N74-V78 PolarHBondContact O-N 3.21Å
75A96.8Very high96.5Very high40 Ų4046.7 Ų46.733%0.33124%0.24SC..Hα-helixtrans-57.5-39.3-179.900000113.2F56 V73 M77 V78 F79F56-A75 HydrophobicContact CD1-CB 4.3Å; F56-A75 HydrophobicContact CE1-CB 3.53Å; F56-A75 HydrophobicContact CZ-CB 4.38Å; V73-A75 PolarHBondContact O-N 3.43Å; A75-M77 PolarHBondContact O-N 2.82Å; A75-V78 PolarHBondContact O-N 2.86Å; A75-F79 WeakPolarHBondContact O-CD2 3.28Å; A75-F79 PolarHBondContact O-N 2.9Å
76A97.1Very high96.5Very high62 Ų6246.8 Ų46.851%0.51224%0.24SC..Hα-helixtrans-64.6-41.9-178.200000111.3N74 V78 F79 E80N74-A76 VanDerWaalsContact C-N 3.29Å; N74-A76 PolarHBondContact O-N 2.9Å; N74-A76 WeakPolarHBondContact OD1-CB 3.47Å; N74-A76 PolarHBondContact OD1-N 3.45Å; A76-V78 VanDerWaalsContact C-N 3.3Å; A76-V78 PolarHBondContact O-N 3.1Å; A76-F79 PolarHBondContact O-N 2.88Å; A76-E80 PolarHBondContact O-N 3.08Å
77M96.3Very high96.4Very high60 Ų6050.7 Ų50.730%0.29626%0.261SS..Hα-helixtrans-59.5-40.9174.2178-162.873.200111.8M1 N74 A75 E80 F81 P121M1-M77 HydrophobicContact CE-CE 3.52Å; M1-M77 HydrophobicContact CE-SD 3.92Å; M1-M77 HydrophobicContact SD-CE 4.09Å; N74-M77 HydrophobicContact CB-CB 4.15Å; N74-M77 PolarHBondContact O-N 2.86Å; N74-M77 PolarHBondContact OD1-N 3.1Å; A75-M77 PolarHBondContact O-N 2.82Å; M77-E80 PolarHBondContact O-N 3.36Å; M77-F81 WeakPolarHBondContact O-CB 3.28Å; M77-F81 PolarHBondContact O-N 2.82Å; M77-P121 HydrophobicContact CG-CG 4.46Å; M77-P121 HydrophobicContact SD-CG 4.44Å
78V97.7Very high96.2Very high0 Ų050.7 Ų50.70%026%0.261CS..Hα-helixtrans-64-43.1177.8-179.90000111I2 F56 A67 V73 N74 A75 A76 F81 L82I2-V78 HydrophobicContact CD1-CG1 4.17Å; I2-V78 HydrophobicContact CD1-CG2 4.24Å; I2-V78 HydrophobicContact CG1-CG1 4.47Å; I2-V78 HydrophobicContact CG1-CG2 4.09Å; F56-V78 HydrophobicContact CB-CG1 3.64Å; F56-V78 HydrophobicContact CD1-CB 4.3Å; F56-V78 HydrophobicContact CD1-CG1 4.23Å; F56-V78 HydrophobicContact CD2-CG1 4Å; F56-V78 HydrophobicContact CG-CB 4.22Å; F56-V78 HydrophobicContact CG-CG1 3.68Å; A67-V78 HydrophobicContact CB-CG1 3.59Å; V73-V78 HydrophobicContact CG2-CG2 3.72Å; N74-V78 PolarHBondContact O-N 3.21Å; A75-V78 PolarHBondContact O-N 2.86Å; A76-V78 VanDerWaalsContact C-N 3.3Å; A76-V78 PolarHBondContact O-N 3.1Å; V78-F81 PolarHBondContact O-N 2.98Å; V78-L82 HydrophobicContact CG1-CD1 4.29Å; V78-L82 WeakPolarHBondContact O-CG 3.25Å; V78-L82 PolarHBondContact O-N 3.11Å
79F97.8Very high96.1Very high30 Ų3050.7 Ų50.713%0.13226%0.261CS..Hα-helixtrans-68.2-42.3177.3-76.9-66.7000112.9P46 V47 F56 V58 A75 A76 F81 L82 Y83P46-F79 HydrophobicContact CB-CE1 3.96Å; P46-F79 HydrophobicContact CB-CZ 3.77Å; P46-F79 HydrophobicContact CG-CZ 4.09Å; V47-F79 HydrophobicContact CG2-CE2 3.57Å; V47-F79 HydrophobicContact CG2-CZ 3.6Å; F56-F79 HydrophobicContact CB-CE1 4.49Å; F56-F79 HydrophobicContact CB-CZ 4.27Å; F56-F79 HydrophobicContact CD1-CD2 4.45Å; F56-F79 AromaticContact CD1-CE2 3.81Å; F56-F79 HydrophobicContact CD1-CE2 3.81Å; F56-F79 HydrophobicContact CD1-CZ 4.1Å; V58-F79 HydrophobicContact CG1-CD1 3.82Å; V58-F79 HydrophobicContact CG1-CE1 4Å; A75-F79 WeakPolarHBondContact O-CD2 3.28Å; A75-F79 PolarHBondContact O-N 2.9Å; A76-F79 PolarHBondContact O-N 2.88Å; F79-F81 VanDerWaalsContact C-N 3.28Å; F79-F81 PolarHBondContact O-N 3.44Å; F79-L82 HydrophobicContact CD1-CD1 4.35Å; F79-L82 PolarHBondContact O-N 3.18Å; F79-Y83 HydrophobicContact CB-CD2 4.47Å; F79-Y83 HydrophobicContact CB-CE2 4.07Å; F79-Y83 WeakPolarHBondContact O-CD2 3.4Å; F79-Y83 PolarHBondContact O-N 2.78Å
80E95.7Very high96Very high114 Ų11453.9 Ų53.953%0.53328%0.281SS..Hα-helixtrans-56.2-46.1173.2-81.2-59.3137.500110.9A76 M77 Y83 K84A76-E80 PolarHBondContact O-N 3.08Å; M77-E80 PolarHBondContact O-N 3.36Å; E80-Y83 PolarHBondContact O-N 2.93Å; E80-K84 WeakPolarHBondContact O-CB 3.42Å; E80-K84 WeakPolarHBondContact O-CG 3.21Å; E80-K84 PolarHBondContact O-N 3.23Å
81F97.1Very high95.8Very high9 Ų951.3 Ų51.34%0.03928%0.278CS..Hα-helixtrans-60.3-47174.8173.3-100.2000112.6I2 L5 M77 V78 F79 Y83 K84 M85 I115 L116 P121I2-F81 HydrophobicContact CD1-CD1 3.9Å; I2-F81 HydrophobicContact CD1-CE1 4.36Å; L5-F81 HydrophobicContact CD1-CD1 4.44Å; L5-F81 HydrophobicContact CD1-CE1 3.58Å; L5-F81 HydrophobicContact CD1-CZ 4.42Å; M77-F81 WeakPolarHBondContact O-CB 3.28Å; M77-F81 PolarHBondContact O-N 2.82Å; V78-F81 PolarHBondContact O-N 2.98Å; F79-F81 VanDerWaalsContact C-N 3.28Å; F79-F81 PolarHBondContact O-N 3.44Å; F81-Y83 VanDerWaalsContact C-N 3.31Å; F81-Y83 PolarHBondContact O-N 2.95Å; F81-K84 PolarHBondContact O-N 3.01Å; F81-M85 PolarHBondContact O-N 2.68Å; F81-I115 HydrophobicContact CE2-CB 4.43Å; F81-I115 HydrophobicContact CE2-CD1 3.86Å; F81-I115 HydrophobicContact CE2-CG1 3.78Å; F81-I115 HydrophobicContact CZ-CD1 4Å; F81-I115 HydrophobicContact CZ-CG1 4.01Å; F81-L116 HydrophobicContact CE1-CD1 4.42Å; F81-L116 HydrophobicContact CE1-CD2 3.68Å; F81-L116 HydrophobicContact CE1-CG 4.48Å; F81-L116 HydrophobicContact CE2-CB 4.02Å; F81-L116 HydrophobicContact CE2-CD1 4.21Å; F81-L116 HydrophobicContact CE2-CG 4.49Å; F81-L116 HydrophobicContact CZ-CB 3.72Å; F81-L116 HydrophobicContact CZ-CD1 4.1Å; F81-L116 HydrophobicContact CZ-CD2 3.63Å; F81-L116 HydrophobicContact CZ-CG 4.03Å; F81-P121 HydrophobicContact CB-CG 4.28Å; F81-P121 HydrophobicContact CD2-CB 3.85Å; F81-P121 HydrophobicContact CD2-CG 4.13Å; F81-P121 HydrophobicContact CE2-CB 4.49Å; F81-P121 HydrophobicContact CG-CB 4.44Å; F81-P121 HydrophobicContact CG-CG 4.26Å
82L97.7Very high95.6Very high0 Ų048.9 Ų48.90%027%0.266CS..Hα-helixtrans-60.8-39.4178.2-74.6174.4000112.3L5 F56 V58 L65 A67 V78 F79 C86L5-L82 HydrophobicContact CD1-CD2 3.91Å; F56-L82 HydrophobicContact CB-CD1 4.34Å; V58-L82 HydrophobicContact CG1-CB 4.4Å; V58-L82 HydrophobicContact CG1-CD1 4.23Å; V58-L82 HydrophobicContact CG2-CB 4.13Å; V58-L82 HydrophobicContact CG2-CD1 4.42Å; L65-L82 HydrophobicContact CB-CD2 4.2Å; A67-L82 HydrophobicContact CB-CD1 4.22Å; A67-L82 HydrophobicContact CB-CD2 4.12Å; A67-L82 HydrophobicContact CB-CG 4.35Å; V78-L82 HydrophobicContact CG1-CD1 4.29Å; V78-L82 WeakPolarHBondContact O-CG 3.25Å; V78-L82 PolarHBondContact O-N 3.11Å; F79-L82 HydrophobicContact CD1-CD1 4.35Å; F79-L82 PolarHBondContact O-N 3.18Å; L82-C86 PolarHBondContact O-N 3.26Å; L82-C86 PolarHBondContact O-SG 3.37Å
83Y96.4Very high95.5Very high93 Ų9342 Ų4237%0.36523%0.227SC..Hα-helixtrans-68.9-43.5175.3-65-44000111.6V58 F79 E80 F81 M85 C86 D87V58-Y83 HydrophobicContact CB-CE1 4.27Å; V58-Y83 HydrophobicContact CG1-CD1 4.34Å; V58-Y83 HydrophobicContact CG1-CE1 3.64Å; F79-Y83 HydrophobicContact CB-CD2 4.47Å; F79-Y83 HydrophobicContact CB-CE2 4.07Å; F79-Y83 WeakPolarHBondContact O-CD2 3.4Å; F79-Y83 PolarHBondContact O-N 2.78Å; E80-Y83 PolarHBondContact O-N 2.93Å; F81-Y83 VanDerWaalsContact C-N 3.31Å; F81-Y83 PolarHBondContact O-N 2.95Å; Y83-M85 VanDerWaalsContact C-N 3.33Å; Y83-M85 PolarHBondContact O-N 3.42Å; Y83-C86 WeakPolarHBondContact O-CB 3.17Å; Y83-C86 PolarHBondContact O-N 3Å; Y83-C86 VanDerWaalsContact O-N 3.12Å; Y83-D87 PolarHBondContact O-N 3.18Å
84K94.9Very high95.3Very high97 Ų9742.7 Ų42.742%0.42224%0.239SC..Hα-helixtrans-61.4-39.2174.7-73.8-64.4179.7-172.70112.8E80 F81 C86 D87 V88E80-K84 WeakPolarHBondContact O-CB 3.42Å; E80-K84 WeakPolarHBondContact O-CG 3.21Å; E80-K84 PolarHBondContact O-N 3.23Å; F81-K84 PolarHBondContact O-N 3.01Å; K84-C86 VanDerWaalsContact C-N 3.32Å; K84-C86 PolarHBondContact O-N 3.2Å; K84-D87 PolarHBondContact O-N 2.98Å; K84-D87 VanDerWaalsContact O-N 3.14Å; K84-V88 VanDerWaalsContact O-CG2 3.32Å; K84-V88 WeakPolarHBondContact O-CG2 3.25Å; K84-V88 PolarHBondContact O-N 3.39Å
85M95.9Very high95.1Very high0 Ų044.6 Ų44.60%024%0.242CC..Hα-helixtrans-60.9-42.9173.6-177.750.5169.600111.4F81 Y83 D87 V88 M89 I108 L111 L112 I115F81-M85 PolarHBondContact O-N 2.68Å; Y83-M85 VanDerWaalsContact C-N 3.33Å; Y83-M85 PolarHBondContact O-N 3.42Å; M85-D87 VanDerWaalsContact C-N 3.32Å; M85-D87 PolarHBondContact O-N 2.78Å; M85-V88 PolarHBondContact O-N 2.94Å; M85-M89 HydrophobicContact CE-CE 3.26Å; M85-M89 HydrophobicContact CE-CG 4.1Å; M85-M89 HydrophobicContact CE-SD 4.43Å; M85-M89 HydrophobicContact CG-CE 4.1Å; M85-M89 WeakPolarHBondContact O-CB 3.48Å; M85-M89 VanDerWaalsContact O-CG 3.27Å; M85-M89 WeakPolarHBondContact O-CG 3.38Å; M85-M89 PolarHBondContact O-N 2.85Å; M85-M89 HydrophobicContact SD-CE 4.18Å; M85-M89 HydrophobicContact SD-CG 4.21Å; M85-I108 HydrophobicContact CE-CG2 4.22Å; M85-L111 HydrophobicContact CE-CB 4.32Å; M85-L112 HydrophobicContact CE-CD2 3.46Å; M85-L112 VanDerWaalsContact CE-CD2 3.46Å; M85-L112 HydrophobicContact CE-CG 3.63Å; M85-L112 HydrophobicContact SD-CD2 4.3Å; M85-I115 HydrophobicContact CB-CD1 4.37Å; M85-I115 HydrophobicContact CE-CD1 4.2Å; M85-I115 HydrophobicContact CG-CD1 4.3Å; M85-I115 HydrophobicContact SD-CD1 3.25Å; M85-I115 WeakPolarHBondContact SD-CD1 3.41Å
86C96Very high95Very high1 Ų143.4 Ų43.41%0.00723%0.23CC..Hα-helixtrans-60.9-41.6174-64.40000111.9L82 Y83 K84 T90 I96L82-C86 PolarHBondContact O-N 3.26Å; L82-C86 PolarHBondContact O-SG 3.37Å; Y83-C86 WeakPolarHBondContact O-CB 3.17Å; Y83-C86 PolarHBondContact O-N 3Å; Y83-C86 VanDerWaalsContact O-N 3.12Å; K84-C86 VanDerWaalsContact C-N 3.32Å; K84-C86 PolarHBondContact O-N 3.2Å; C86-T90 WeakPolarHBondContact O-CB 3.29Å; C86-T90 PolarHBondContact O-N 2.95Å; C86-T90 PolarHBondContact O-OG1 2.97Å; C86-I96 HydrophobicContact CB-CD1 3.72Å
87D93.9Very high94.9Very high82 Ų8241.7 Ų41.744%0.43921%0.214SC..Hα-helixtrans-66.6-44.2-180-66.1-14.7000111.2Y83 K84 M85 T90 A91Y83-D87 PolarHBondContact O-N 3.18Å; K84-D87 PolarHBondContact O-N 2.98Å; K84-D87 VanDerWaalsContact O-N 3.14Å; M85-D87 VanDerWaalsContact C-N 3.32Å; M85-D87 PolarHBondContact O-N 2.78Å; D87-T90 PolarHBondContact O-N 2.93Å; D87-A91 WeakPolarHBondContact O-CB 3.34Å; D87-A91 PolarHBondContact O-N 3.45Å
88V93.9Very high94.9Very high2 Ų241.3 Ų41.31%0.01221%0.212CC..Hα-helixtrans-59.7-51.1175.1171.30000110.4K84 M85 T90 A91 Y92 L111 S124 L129K84-V88 VanDerWaalsContact O-CG2 3.32Å; K84-V88 WeakPolarHBondContact O-CG2 3.25Å; K84-V88 PolarHBondContact O-N 3.39Å; M85-V88 PolarHBondContact O-N 2.94Å; V88-T90 VanDerWaalsContact C-N 3.26Å; V88-T90 PolarHBondContact O-N 2.88Å; V88-A91 PolarHBondContact O-N 2.97Å; V88-A91 VanDerWaalsContact O-N 3.09Å; V88-Y92 HydrophobicContact CG1-CD2 3.95Å; V88-Y92 HydrophobicContact CG1-CE2 4.03Å; V88-Y92 WeakPolarHBondContact O-CD2 3.46Å; V88-Y92 PolarHBondContact O-N 3.5Å; V88-L111 HydrophobicContact CG1-CD1 4.2Å; V88-L111 HydrophobicContact CG1-CD2 4.02Å; V88-S124 WeakPolarHBondContact CG2-O 3.36Å; V88-L129 HydrophobicContact CG1-CD1 4Å; V88-L129 HydrophobicContact CG2-CD1 4.25Å
89M94.7Very high94.7Very high0 Ų047.6 Ų47.60%024%0.241CC..Hα-helixtrans-53.2-46.3174.5-79.3-173.6174.300111.8I7 M85 A91 Y92 F93 I96 I108I7-M89 HydrophobicContact CD1-CE 3.46Å; I7-M89 VanDerWaalsContact CD1-CE 3.46Å; M85-M89 HydrophobicContact CE-CE 3.26Å; M85-M89 HydrophobicContact CE-CG 4.1Å; M85-M89 HydrophobicContact CE-SD 4.43Å; M85-M89 HydrophobicContact CG-CE 4.1Å; M85-M89 WeakPolarHBondContact O-CB 3.48Å; M85-M89 VanDerWaalsContact O-CG 3.27Å; M85-M89 WeakPolarHBondContact O-CG 3.38Å; M85-M89 PolarHBondContact O-N 2.85Å; M85-M89 HydrophobicContact SD-CE 4.18Å; M85-M89 HydrophobicContact SD-CG 4.21Å; M89-A91 VanDerWaalsContact C-N 3.29Å; M89-A91 PolarHBondContact O-N 3.44Å; M89-Y92 PolarHBondContact O-N 3.07Å; M89-F93 HydrophobicContact CB-CE1 3.87Å; M89-F93 HydrophobicContact CB-CE2 4.08Å; M89-F93 HydrophobicContact CB-CZ 3.41Å; M89-F93 VanDerWaalsContact CB-CZ 3.41Å; M89-F93 HydrophobicContact CG-CE1 3.96Å; M89-F93 HydrophobicContact CG-CZ 3.62Å; M89-F93 WeakPolarHBondContact O-CD1 3.19Å; M89-F93 WeakPolarHBondContact O-CG 3.49Å; M89-F93 PolarHBondContact O-N 3.32Å; M89-F93 HydrophobicContact SD-CZ 4.05Å; M89-I96 HydrophobicContact CB-CD1 4.19Å; M89-I96 HydrophobicContact CB-CG1 4.23Å; M89-I96 HydrophobicContact SD-CD1 4.45Å; M89-I108 HydrophobicContact CE-CD1 4.24Å; M89-I108 HydrophobicContact CE-CG1 4.16Å; M89-I108 HydrophobicContact CE-CG2 3.69Å
90T94.2Very high94.6Very high68 Ų6847.8 Ų47.842%0.41724%0.244SC..Hα-helixtrans-63.8-37.2-180-59.10000111.8C86 D87 V88 G94C86-T90 WeakPolarHBondContact O-CB 3.29Å; C86-T90 PolarHBondContact O-N 2.95Å; C86-T90 PolarHBondContact O-OG1 2.97Å; D87-T90 PolarHBondContact O-N 2.93Å; V88-T90 VanDerWaalsContact C-N 3.26Å; V88-T90 PolarHBondContact O-N 2.88Å; T90-G94 WeakPolarHBondContact CA-O 3.29Å; T90-G94 WeakPolarHBondContact CG2-O 3.35Å; T90-G94 WeakPolarHBondContact O-CA 3.15Å; T90-G94 PolarHBondContact O-N 3.48Å
91A91Very high94.6Very high44 Ų4442.4 Ų42.436%0.36422%0.218SC..Hα-helixtrans-72.2-26.8177.800000113.3D87 V88 M89 T126 K130D87-A91 WeakPolarHBondContact O-CB 3.34Å; D87-A91 PolarHBondContact O-N 3.45Å; V88-A91 PolarHBondContact O-N 2.97Å; V88-A91 VanDerWaalsContact O-N 3.09Å; M89-A91 VanDerWaalsContact C-N 3.29Å; M89-A91 PolarHBondContact O-N 3.44Å; A91-T126 HydrophobicContact CB-CG2 3.64Å; A91-K130 WeakPolarHBondContact O-CE 3.45Å; A91-K130 PolarHBondContact O-NZ 3.41Å
92Y92.1Very high94.5Very high25 Ų2547.5 Ų47.510%0.09824%0.241CC..Hα-helixtrans-81.5-48.6176.9-91.8-88000113.5V88 M89 L107 L111 T126 L129 K130 I133V88-Y92 HydrophobicContact CG1-CD2 3.95Å; V88-Y92 HydrophobicContact CG1-CE2 4.03Å; V88-Y92 WeakPolarHBondContact O-CD2 3.46Å; V88-Y92 PolarHBondContact O-N 3.5Å; M89-Y92 PolarHBondContact O-N 3.07Å; Y92-L107 HydrophobicContact CD1-CD1 4.07Å; Y92-L107 HydrophobicContact CD1-CD2 3.85Å; Y92-L107 HydrophobicContact CE1-CD1 3.99Å; Y92-L107 HydrophobicContact CG-CD2 4.18Å; Y92-L111 HydrophobicContact CD2-CD1 4.07Å; Y92-L111 HydrophobicContact CD2-CD2 4.28Å; Y92-L111 HydrophobicContact CE2-CD1 4.27Å; Y92-L111 HydrophobicContact CE2-CD2 3.65Å; Y92-L111 HydrophobicContact CG-CD1 4.43Å; Y92-T126 HydrophobicContact CD2-CG2 4.35Å; Y92-T126 HydrophobicContact CE2-CG2 4.14Å; Y92-L129 HydrophobicContact CE2-CB 4.4Å; Y92-L129 PolarHBondContact OH-O 3.2Å; Y92-K130 HydrophobicContact CD1-CG 4.5Å; Y92-K130 HydrophobicContact CE1-CG 3.82Å; Y92-K130 HydrophobicContact CE2-CG 3.87Å; Y92-K130 VanDerWaalsContact CZ-CG 3.48Å; Y92-K130 VanDerWaalsContact OH-CA 3.24Å; Y92-K130 WeakPolarHBondContact OH-CA 3.46Å; Y92-K130 PolarHBondContact OH-N 3.49Å; Y92-K130 VanDerWaalsContact OH-N 3.12Å; Y92-I133 HydrophobicContact CE1-CG2 4.44Å; Y92-I133 VanDerWaalsContact CE1-O 3.26Å; Y92-I133 WeakPolarHBondContact CE1-O 3.35Å; Y92-I133 PolarHBondContact OH-O 3.07Å
93F92.7Very high94.3Very high28 Ų2852.9 Ų52.912%0.12327%0.269CS..Hα-helixtrans-131.812.8-171.454.2-104.6000114M89 K95 I96 N100 N104 L107 I108M89-F93 HydrophobicContact CB-CE1 3.87Å; M89-F93 HydrophobicContact CB-CE2 4.08Å; M89-F93 HydrophobicContact CB-CZ 3.41Å; M89-F93 VanDerWaalsContact CB-CZ 3.41Å; M89-F93 HydrophobicContact CG-CE1 3.96Å; M89-F93 HydrophobicContact CG-CZ 3.62Å; M89-F93 WeakPolarHBondContact O-CD1 3.19Å; M89-F93 WeakPolarHBondContact O-CG 3.49Å; M89-F93 PolarHBondContact O-N 3.32Å; M89-F93 HydrophobicContact SD-CZ 4.05Å; F93-K95 PolarHBondContact O-N 3.4Å; F93-I96 HydrophobicContact CE2-CG1 4.48Å; F93-N100 HydrophobicContact CD2-CB 3.87Å; F93-N100 HydrophobicContact CE2-CB 4.16Å; F93-N104 HydrophobicContact CD1-CB 4.18Å; F93-N104 HydrophobicContact CE1-CB 4.44Å; F93-L107 HydrophobicContact CD1-CD2 4.24Å; F93-I108 HydrophobicContact CE1-CD1 4.22Å; F93-I108 HydrophobicContact CE1-CG1 4.09Å; F93-I108 HydrophobicContact CZ-CD1 4.2Å; F93-I108 HydrophobicContact CZ-CG1 4.48Å
94G92.3Very high94.2Very high34 Ų3449.9 Ų49.935%0.35126%0.259SS..SBendtrans77.4-111.9173.800000112.9T90 I96T90-G94 WeakPolarHBondContact CA-O 3.29Å; T90-G94 WeakPolarHBondContact CG2-O 3.35Å; T90-G94 WeakPolarHBondContact O-CA 3.15Å; T90-G94 PolarHBondContact O-N 3.48Å; G94-I96 PolarHBondContact O-N 2.97Å
95K93.1Very high94.1Very high147 Ų14750.5 Ų50.564%0.63926%0.262SS*.SBendtrans-72.3134.6-172.9-171.4178.4177.7-175.80111.1F93 S97 N100F93-K95 PolarHBondContact O-N 3.4Å; K95-S97 PolarHBondContact O-N 3.3Å; K95-N100 PolarHBondContact O-ND2 3.5Å
96I94.3Very high94Very high15 Ų1554.7 Ų54.78%0.07729%0.288CS..  trans-80.5100.3169.1-53.7176.3000108.7I63 C86 M89 F93 G94 I101I63-I96 HydrophobicContact CB-CG2 4.43Å; I63-I96 HydrophobicContact CG1-CG2 4.37Å; I63-I96 HydrophobicContact CG2-CG2 4.36Å; C86-I96 HydrophobicContact CB-CD1 3.72Å; M89-I96 HydrophobicContact CB-CD1 4.19Å; M89-I96 HydrophobicContact CB-CG1 4.23Å; M89-I96 HydrophobicContact SD-CD1 4.45Å; F93-I96 HydrophobicContact CE2-CG1 4.48Å; G94-I96 PolarHBondContact O-N 2.97Å; I96-I101 HydrophobicContact CG2-CD1 4.06Å
97S95.3Very high93.8Very high27 Ų2755.3 Ų55.319%0.18929%0.291CS..  trans-130.8163.3176.567.40000110.3K95 E99 N100 I101K95-S97 PolarHBondContact O-N 3.3Å; S97-E99 VanDerWaalsContact C-N 3.28Å; S97-E99 PolarHBondContact O-N 3.18Å; S97-N100 PolarHBondContact O-N 2.93Å; S97-N100 WeakPolarHBondContact OG-CB 3.43Å; S97-N100 PolarHBondContact OG-N 2.8Å; S97-I101 WeakPolarHBondContact O-CD1 3.22Å; S97-I101 VanDerWaalsContact O-CG1 3.3Å; S97-I101 WeakPolarHBondContact O-CG1 3.45Å; S97-I101 PolarHBondContact O-N 3.31Å
98E95.8Very high93.9Very high52 Ų5251.4 Ų51.424%0.24327%0.27CS..Hα-helixtrans-58.9-42.1177.7-179.6170.9166.700112N9 L15 I63 I101 K102N9-E98 WeakPolarHBondContact CB-OE2 3.44Å; N9-E98 PolarHBondContact ND2-OE1 2.68Å; L15-E98 HydrophobicContact CD1-CB 4.26Å; L15-E98 HydrophobicContact CD1-CG 3.94Å; L15-E98 HydrophobicContact CD2-CG 3.84Å; I63-E98 HydrophobicContact CD1-CB 4.08Å; E98-I101 PolarHBondContact O-N 3.34Å; E98-K102 HydrophobicContact CG-CD 4.21Å; E98-K102 WeakPolarHBondContact O-CG 3.3Å; E98-K102 PolarHBondContact O-N 3.14Å; E98-K102 IonicContact OE1-NZ 2.96Å; E98-K102 PolarHBondContact OE1-NZ 3.12Å
99E95Very high94Very high131 Ų13154.4 Ų54.461%0.61228%0.281SS*.Hα-helixtrans-60-50.1175.5-178.7-175.4174.200111.8S97 I101 K102 N103S97-E99 VanDerWaalsContact C-N 3.28Å; S97-E99 PolarHBondContact O-N 3.18Å; E99-I101 VanDerWaalsContact C-N 3.29Å; E99-I101 PolarHBondContact O-N 2.83Å; E99-K102 PolarHBondContact O-N 3.36Å; E99-N103 WeakPolarHBondContact O-CB 3.36Å; E99-N103 VanDerWaalsContact O-CG 3.23Å; E99-N103 PolarHBondContact O-N 3.28Å
100N95Very high93.9Very high35 Ų3558.8 Ų58.819%0.18730%0.302CS..Hα-helixtrans-65.4-34.9-178.6-76.4-5.4000111.9F93 K95 S97 N104F93-N100 HydrophobicContact CD2-CB 3.87Å; F93-N100 HydrophobicContact CE2-CB 4.16Å; K95-N100 PolarHBondContact O-ND2 3.5Å; S97-N100 PolarHBondContact O-N 2.93Å; S97-N100 WeakPolarHBondContact OG-CB 3.43Å; S97-N100 PolarHBondContact OG-N 2.8Å; N100-N104 VanDerWaalsContact O-CB 3.32Å; N100-N104 WeakPolarHBondContact O-CB 3.49Å; N100-N104 PolarHBondContact O-N 3.47Å; N100-N104 VanDerWaalsContact O-N 3.12Å; N100-N104 PolarHBondContact O-ND2 2.74Å
101I95.4Very high94Very high0 Ų055.5 Ų55.50%028%0.282CS..Hα-helixtrans-65.3-47.6174.9-68.6160.7000110.5I7 L15 I16 I63 I96 S97 E98 E99 N103 N104 F105 I108I7-I101 HydrophobicContact CG2-CD1 3.89Å; L15-I101 HydrophobicContact CB-CG2 3.9Å; L15-I101 HydrophobicContact CD1-CB 4.48Å; L15-I101 HydrophobicContact CD1-CD1 3.98Å; L15-I101 HydrophobicContact CD1-CG2 4.32Å; I16-I101 HydrophobicContact CD1-CG2 4.28Å; I16-I101 HydrophobicContact CG1-CG2 3.76Å; I63-I101 HydrophobicContact CD1-CD1 4.09Å; I63-I101 HydrophobicContact CG1-CD1 4.06Å; I63-I101 HydrophobicContact CG2-CD1 3.8Å; I96-I101 HydrophobicContact CG2-CD1 4.06Å; S97-I101 WeakPolarHBondContact O-CD1 3.22Å; S97-I101 VanDerWaalsContact O-CG1 3.3Å; S97-I101 WeakPolarHBondContact O-CG1 3.45Å; S97-I101 PolarHBondContact O-N 3.31Å; E98-I101 PolarHBondContact O-N 3.34Å; E99-I101 VanDerWaalsContact C-N 3.29Å; E99-I101 PolarHBondContact O-N 2.83Å; I101-N103 PolarHBondContact O-N 2.9Å; I101-N104 CarbonylContact O-C 3.54Å; I101-N104 PolarHBondContact O-N 3.22Å; I101-F105 PolarHBondContact O-N 2.89Å; I101-F105 VanDerWaalsContact O-N 3.14Å; I101-I108 HydrophobicContact CB-CD1 4.14Å; I101-I108 HydrophobicContact CG1-CD1 4.17Å; I101-I108 HydrophobicContact CG2-CD1 3.9Å
102K94.6Very high94.2Very high117 Ų11753.4 Ų53.451%0.50927%0.265SS..Hα-helixtrans-61.5-43.6178.7-76.5173.7169.61690112E98 E99 N104E98-K102 HydrophobicContact CG-CD 4.21Å; E98-K102 WeakPolarHBondContact O-CG 3.3Å; E98-K102 PolarHBondContact O-N 3.14Å; E98-K102 IonicContact OE1-NZ 2.96Å; E98-K102 PolarHBondContact OE1-NZ 3.12Å; E99-K102 PolarHBondContact O-N 3.36Å; K102-N104 VanDerWaalsContact C-N 3.27Å; K102-N104 PolarHBondContact O-N 3.03Å
103N94.5Very high94.3Very high112 Ų11255.5 Ų55.560%0.59928%0.277SS*.Hα-helixtrans-71.1-20.9-179.1-66.4-9.3000113.3E99 I101E99-N103 WeakPolarHBondContact O-CB 3.36Å; E99-N103 VanDerWaalsContact O-CG 3.23Å; E99-N103 PolarHBondContact O-N 3.28Å; I101-N103 PolarHBondContact O-N 2.9Å
104N94Very high94.4Very high30 Ų3058.3 Ų58.316%0.1629%0.291CS..THydrogen-bonded Turntrans-116.925.4-178.1-64.6-86.9000112.6F93 N100 I101 K102 V106 L107 I108 Q135F93-N104 HydrophobicContact CD1-CB 4.18Å; F93-N104 HydrophobicContact CE1-CB 4.44Å; N100-N104 VanDerWaalsContact O-CB 3.32Å; N100-N104 WeakPolarHBondContact O-CB 3.49Å; N100-N104 PolarHBondContact O-N 3.47Å; N100-N104 VanDerWaalsContact O-N 3.12Å; N100-N104 PolarHBondContact O-ND2 2.74Å; I101-N104 CarbonylContact O-C 3.54Å; I101-N104 PolarHBondContact O-N 3.22Å; K102-N104 VanDerWaalsContact C-N 3.27Å; K102-N104 PolarHBondContact O-N 3.03Å; N104-V106 VanDerWaalsContact C-N 3.34Å; N104-V106 PolarHBondContact O-N 3.28Å; N104-L107 HydrophobicContact CB-CB 4.4Å; N104-L107 HydrophobicContact CB-CD2 4.35Å; N104-L107 WeakPolarHBondContact O-CB 3.32Å; N104-L107 PolarHBondContact O-N 2.96Å; N104-I108 HydrophobicContact CB-CD1 4.43Å; N104-I108 WeakPolarHBondContact O-CG1 3.48Å; N104-I108 PolarHBondContact O-N 3.15Å; N104-Q135 PolarHBondContact OD1-NE2 2.98Å
105F93.2Very high94.5Very high111 Ų11156.7 Ų56.749%0.48727%0.274SS..Hα-helixtrans-59.4-41.9-171.486.3-84.2000112.9I16 I101 I108 Y109I16-F105 HydrophobicContact CD1-CB 4.25Å; I101-F105 PolarHBondContact O-N 2.89Å; I101-F105 VanDerWaalsContact O-N 3.14Å; F105-I108 PolarHBondContact O-N 3.15Å; F105-Y109 AromaticContact CD2-CD2 3.91Å; F105-Y109 HydrophobicContact CD2-CD2 3.91Å; F105-Y109 HydrophobicContact CD2-CE2 4.02Å; F105-Y109 WeakPolarHBondContact O-CD2 3.3Å; F105-Y109 PolarHBondContact O-N 3.28Å
106V92.8Very high94.6Very high88 Ų8849.8 Ų49.853%0.53324%0.244SC..Hα-helixtrans-59.3-51.3178.1-178.40000110.3N104 I108 Y109 E110N104-V106 VanDerWaalsContact C-N 3.34Å; N104-V106 PolarHBondContact O-N 3.28Å; V106-I108 VanDerWaalsContact C-N 3.3Å; V106-I108 PolarHBondContact O-N 3.07Å; V106-Y109 PolarHBondContact O-N 3.01Å; V106-E110 PolarHBondContact O-N 3.48Å
107L93Very high94.7Very high13 Ų1354 Ų547%0.06827%0.267CS..Hα-helixtrans-57.1-43.5176.9171.968.4000111.7Y92 F93 N104 Y109 E110 L111 I133 Q135Y92-L107 HydrophobicContact CD1-CD1 4.07Å; Y92-L107 HydrophobicContact CD1-CD2 3.85Å; Y92-L107 HydrophobicContact CE1-CD1 3.99Å; Y92-L107 HydrophobicContact CG-CD2 4.18Å; F93-L107 HydrophobicContact CD1-CD2 4.24Å; N104-L107 HydrophobicContact CB-CB 4.4Å; N104-L107 HydrophobicContact CB-CD2 4.35Å; N104-L107 WeakPolarHBondContact O-CB 3.32Å; N104-L107 PolarHBondContact O-N 2.96Å; L107-Y109 VanDerWaalsContact C-N 3.33Å; L107-Y109 PolarHBondContact O-N 3.37Å; L107-E110 PolarHBondContact O-N 2.88Å; L107-L111 HydrophobicContact CD1-CD1 4.06Å; L107-L111 HydrophobicContact CD1-CG 4.08Å; L107-L111 HydrophobicContact CD2-CD1 4.47Å; L107-L111 HydrophobicContact CG-CD1 3.88Å; L107-L111 HydrophobicContact CG-CG 4.32Å; L107-L111 WeakPolarHBondContact O-CB 3.49Å; L107-L111 VanDerWaalsContact O-CG 3.24Å; L107-L111 WeakPolarHBondContact O-CG 3.35Å; L107-L111 PolarHBondContact O-N 3.12Å; L107-I133 HydrophobicContact CD1-CG2 3.36Å; L107-Q135 HydrophobicContact CD2-CG 3.73Å
108I95.3Very high94.6Very high0 Ų057.4 Ų57.40%028%0.279CS..Hα-helixtrans-65-40.3-179.5-68.5167.6000110.8I16 M85 M89 F93 I101 N104 F105 V106 L112I16-I108 HydrophobicContact CD1-CB 4.42Å; I16-I108 HydrophobicContact CD1-CG2 4.11Å; I16-I108 HydrophobicContact CG1-CG2 4.03Å; I16-I108 HydrophobicContact CG2-CG2 4.35Å; M85-I108 HydrophobicContact CE-CG2 4.22Å; M89-I108 HydrophobicContact CE-CD1 4.24Å; M89-I108 HydrophobicContact CE-CG1 4.16Å; M89-I108 HydrophobicContact CE-CG2 3.69Å; F93-I108 HydrophobicContact CE1-CD1 4.22Å; F93-I108 HydrophobicContact CE1-CG1 4.09Å; F93-I108 HydrophobicContact CZ-CD1 4.2Å; F93-I108 HydrophobicContact CZ-CG1 4.48Å; I101-I108 HydrophobicContact CB-CD1 4.14Å; I101-I108 HydrophobicContact CG1-CD1 4.17Å; I101-I108 HydrophobicContact CG2-CD1 3.9Å; N104-I108 HydrophobicContact CB-CD1 4.43Å; N104-I108 WeakPolarHBondContact O-CG1 3.48Å; N104-I108 PolarHBondContact O-N 3.15Å; F105-I108 PolarHBondContact O-N 3.15Å; V106-I108 VanDerWaalsContact C-N 3.3Å; V106-I108 PolarHBondContact O-N 3.07Å; I108-L112 HydrophobicContact CG2-CD1 3.99Å; I108-L112 HydrophobicContact CG2-CG 4.28Å; I108-L112 VanDerWaalsContact O-CB 3.27Å; I108-L112 WeakPolarHBondContact O-CB 3.27Å; I108-L112 WeakPolarHBondContact O-CG 3.26Å; I108-L112 PolarHBondContact O-N 2.98Å
109Y95.5Very high94.5Very high65 Ų6555 Ų5526%0.25527%0.267SS..Hα-helixtrans-63.3-44.7175.4-84.2-63.4000112.2I16 S17 R18 F105 V106 L107 L112 D113I16-Y109 HydrophobicContact CD1-CD2 4.38Å; I16-Y109 HydrophobicContact CD1-CE2 3.89Å; I16-Y109 HydrophobicContact CG2-CE1 4.1Å; S17-Y109 PolarHBondContact N-OH 3.23Å; S17-Y109 WeakPolarHBondContact O-CE1 3.49Å; S17-Y109 PolarHBondContact O-OH 2.81Å; S17-Y109 VanDerWaalsContact O-OH 3.13Å; R18-Y109 HydrophobicContact CB-CE1 4.42Å; F105-Y109 AromaticContact CD2-CD2 3.91Å; F105-Y109 HydrophobicContact CD2-CD2 3.91Å; F105-Y109 HydrophobicContact CD2-CE2 4.02Å; F105-Y109 WeakPolarHBondContact O-CD2 3.3Å; F105-Y109 PolarHBondContact O-N 3.28Å; V106-Y109 PolarHBondContact O-N 3.01Å; L107-Y109 VanDerWaalsContact C-N 3.33Å; L107-Y109 PolarHBondContact O-N 3.37Å; Y109-L112 PolarHBondContact O-N 2.93Å; Y109-D113 PolarHBondContact O-N 2.92Å
110E93.9Very high94.5Very high92 Ų9254 Ų5443%0.4326%0.259SS..Hα-helixtrans-62.9-44.8177.9-158.8171.5-140.700111.4V106 L107 L112 D113 E114 I133V106-E110 PolarHBondContact O-N 3.48Å; L107-E110 PolarHBondContact O-N 2.88Å; E110-L112 PolarHBondContact O-N 3.15Å; E110-D113 PolarHBondContact O-N 3.44Å; E110-E114 PolarHBondContact O-N 2.91Å; E110-E114 VanDerWaalsContact O-N 3.1Å; E110-I133 HydrophobicContact CG-CG1 4.5Å; E110-I133 HydrophobicContact CG-CG2 4.48Å
111L95Very high94.6Very high0 Ų054.4 Ų54.40%026%0.263CS..Hα-helixtrans-59-46.2172.7-73.7170.6000111.8M85 V88 Y92 L107 D113 E114 I115 L129 I133M85-L111 HydrophobicContact CE-CB 4.32Å; V88-L111 HydrophobicContact CG1-CD1 4.2Å; V88-L111 HydrophobicContact CG1-CD2 4.02Å; Y92-L111 HydrophobicContact CD2-CD1 4.07Å; Y92-L111 HydrophobicContact CD2-CD2 4.28Å; Y92-L111 HydrophobicContact CE2-CD1 4.27Å; Y92-L111 HydrophobicContact CE2-CD2 3.65Å; Y92-L111 HydrophobicContact CG-CD1 4.43Å; L107-L111 HydrophobicContact CD1-CD1 4.06Å; L107-L111 HydrophobicContact CD1-CG 4.08Å; L107-L111 HydrophobicContact CD2-CD1 4.47Å; L107-L111 HydrophobicContact CG-CD1 3.88Å; L107-L111 HydrophobicContact CG-CG 4.32Å; L107-L111 WeakPolarHBondContact O-CB 3.49Å; L107-L111 VanDerWaalsContact O-CG 3.24Å; L107-L111 WeakPolarHBondContact O-CG 3.35Å; L107-L111 PolarHBondContact O-N 3.12Å; L111-D113 VanDerWaalsContact C-N 3.29Å; L111-D113 PolarHBondContact O-N 2.93Å; L111-E114 PolarHBondContact O-N 3.44Å; L111-I115 WeakPolarHBondContact O-CG1 3.4Å; L111-I115 WeakPolarHBondContact O-CG2 3.37Å; L111-I115 PolarHBondContact O-N 2.94Å; L111-L129 HydrophobicContact CD2-CD1 4.29Å; L111-I133 HydrophobicContact CD2-CB 4.5Å; L111-I133 HydrophobicContact CD2-CD1 3.86Å; L111-I133 HydrophobicContact CD2-CG2 4Å; L111-I133 HydrophobicContact CG-CG2 4.23Å
112L96Very high94.5Very high0 Ų058.8 Ų58.80%028%0.283CS..Hα-helixtrans-63.4-34.5-178.8-82.6178.8000113L5 I16 R18 Y20 M85 I108 Y109 E110 L116L5-L112 HydrophobicContact CD1-CD2 4.44Å; L5-L112 HydrophobicContact CD2-CD1 4.19Å; L5-L112 HydrophobicContact CD2-CD2 3.86Å; I16-L112 HydrophobicContact CG2-CD1 3.72Å; R18-L112 HydrophobicContact CB-CD1 3.95Å; R18-L112 HydrophobicContact CG-CB 4.48Å; R18-L112 HydrophobicContact CG-CD1 4.44Å; Y20-L112 WeakPolarHBondContact OH-CB 3.45Å; Y20-L112 PolarHBondContact OH-O 3.33Å; M85-L112 HydrophobicContact CE-CD2 3.46Å; M85-L112 VanDerWaalsContact CE-CD2 3.46Å; M85-L112 HydrophobicContact CE-CG 3.63Å; M85-L112 HydrophobicContact SD-CD2 4.3Å; I108-L112 HydrophobicContact CG2-CD1 3.99Å; I108-L112 HydrophobicContact CG2-CG 4.28Å; I108-L112 VanDerWaalsContact O-CB 3.27Å; I108-L112 WeakPolarHBondContact O-CB 3.27Å; I108-L112 WeakPolarHBondContact O-CG 3.26Å; I108-L112 PolarHBondContact O-N 2.98Å; Y109-L112 PolarHBondContact O-N 2.93Å; E110-L112 PolarHBondContact O-N 3.15Å; L112-L116 PolarHBondContact O-N 2.92Å
113D94.2Very high94Very high68 Ų6856.5 Ų56.536%0.36428%0.277SS..Hα-helixtrans-74.4-33.2177.3-73.8-17.7000111.8R18 Y109 E110 L111R18-D113 IonicContact CZ-OD1 3.99Å; R18-D113 IonicContact CZ-OD2 3.42Å; R18-D113 VanDerWaalsContact CZ-OD2 3.23Å; R18-D113 IonicContact NE-OD1 3.83Å; R18-D113 PolarHBondContact NE-OD1 3.44Å; R18-D113 IonicContact NE-OD2 3.67Å; R18-D113 IonicContact NH1-OD2 3.87Å; R18-D113 IonicContact NH2-OD1 2.7Å; R18-D113 PolarHBondContact NH2-OD1 2.69Å; R18-D113 IonicContact NH2-OD2 2.68Å; R18-D113 PolarHBondContact NH2-OD2 3.13Å; Y109-D113 PolarHBondContact O-N 2.92Å; E110-D113 PolarHBondContact O-N 3.44Å; L111-D113 VanDerWaalsContact C-N 3.29Å; L111-D113 PolarHBondContact O-N 2.93Å
114E93.2Very high93.8Very high87 Ų8752.7 Ų52.741%0.40726%0.259SS..Hα-helixtrans-76.7-44.9178.1-170.365.4-159.500112.7E110 L111 L116 Q122 L129 F132 I133E110-E114 PolarHBondContact O-N 2.91Å; E110-E114 VanDerWaalsContact O-N 3.1Å; L111-E114 PolarHBondContact O-N 3.44Å; E114-L116 VanDerWaalsContact C-N 3.35Å; E114-L116 PolarHBondContact O-N 3.41Å; E114-Q122 WeakPolarHBondContact O-CB 3.24Å; E114-L129 HydrophobicContact CB-CD2 4.47Å; E114-L129 HydrophobicContact CG-CD2 3.77Å; E114-F132 HydrophobicContact CG-CE2 3.78Å; E114-F132 HydrophobicContact CG-CZ 4.2Å; E114-I133 HydrophobicContact CB-CD1 3.82Å; E114-I133 HydrophobicContact CG-CD1 4.05Å
115I95.7Very high93.4Very high1 Ų153 Ų531%0.00526%0.259CS..Hα-helixtrans-85.6-8.3-172.373-179.5000113.4F81 M85 L111 Q122 L129F81-I115 HydrophobicContact CE2-CB 4.43Å; F81-I115 HydrophobicContact CE2-CD1 3.86Å; F81-I115 HydrophobicContact CE2-CG1 3.78Å; F81-I115 HydrophobicContact CZ-CD1 4Å; F81-I115 HydrophobicContact CZ-CG1 4.01Å; M85-I115 HydrophobicContact CB-CD1 4.37Å; M85-I115 HydrophobicContact CE-CD1 4.2Å; M85-I115 HydrophobicContact CG-CD1 4.3Å; M85-I115 HydrophobicContact SD-CD1 3.25Å; M85-I115 WeakPolarHBondContact SD-CD1 3.41Å; L111-I115 WeakPolarHBondContact O-CG1 3.4Å; L111-I115 WeakPolarHBondContact O-CG2 3.37Å; L111-I115 PolarHBondContact O-N 2.94Å; I115-Q122 PolarHBondContact O-N 2.71Å; I115-L129 HydrophobicContact CG2-CD1 3.76Å; I115-L129 HydrophobicContact CG2-CD2 4.04Å
116L95.9Very high93Very high1 Ų149.1 Ų49.11%0.00525%0.245CC..EExtended strand (participates in β ladder)trans-148.2101.8-176.9-17264.7000109.8I2 Y20 F81 L112 E114 G119 P121I2-L116 HydrophobicContact CB-CD2 4.42Å; I2-L116 HydrophobicContact CD1-CD1 4.27Å; I2-L116 HydrophobicContact CD1-CD2 4.34Å; I2-L116 HydrophobicContact CG2-CD2 4.22Å; Y20-L116 HydrophobicContact CD1-CG 4.43Å; Y20-L116 WeakPolarHBondContact CD1-O 3.2Å; Y20-L116 HydrophobicContact CD2-CD2 3.78Å; Y20-L116 HydrophobicContact CD2-CG 4.37Å; Y20-L116 HydrophobicContact CE1-CB 4.13Å; Y20-L116 HydrophobicContact CE1-CD2 4.24Å; Y20-L116 HydrophobicContact CE1-CG 4.07Å; Y20-L116 WeakPolarHBondContact CE1-O 3.48Å; Y20-L116 HydrophobicContact CE2-CD2 3.28Å; Y20-L116 HydrophobicContact CE2-CG 4.01Å; Y20-L116 HydrophobicContact CG-CD2 4.42Å; F81-L116 HydrophobicContact CE1-CD1 4.42Å; F81-L116 HydrophobicContact CE1-CD2 3.68Å; F81-L116 HydrophobicContact CE1-CG 4.48Å; F81-L116 HydrophobicContact CE2-CB 4.02Å; F81-L116 HydrophobicContact CE2-CD1 4.21Å; F81-L116 HydrophobicContact CE2-CG 4.49Å; F81-L116 HydrophobicContact CZ-CB 3.72Å; F81-L116 HydrophobicContact CZ-CD1 4.1Å; F81-L116 HydrophobicContact CZ-CD2 3.63Å; F81-L116 HydrophobicContact CZ-CG 4.03Å; L112-L116 PolarHBondContact O-N 2.92Å; E114-L116 VanDerWaalsContact C-N 3.35Å; E114-L116 PolarHBondContact O-N 3.41Å; L116-G119 WeakPolarHBondContact CD1-O 3.34Å; L116-P121 HydrophobicContact CD1-CB 4.4Å; L116-P121 HydrophobicContact CD1-CG 3.97Å
117D94.6Very high92.4Very high103 Ų10346.7 Ų46.755%0.55124%0.238SC*.EExtended strand (participates in β ladder)trans-106.6124.7179.4-178.919.5000110.5G119 Y120 Q122D117-G119 PolarHBondContact O-N 2.61Å; D117-Y120 PolarHBondContact N-O 3.06Å; D117-Y120 WeakPolarHBondContact O-CA 3.32Å; D117-Y120 WeakPolarHBondContact O-CB 3.42Å; D117-Y120 WeakPolarHBondContact O-CD2 3.36Å; D117-Y120 PolarHBondContact O-N 2.97Å; D117-Q122 HydrophobicContact CB-CG 4.14Å
118F94.8Very high91.9Very high100 Ų10046.2 Ų46.244%0.43924%0.236SC..THydrogen-bonded Turntrans46.629.8-176.2-161.8-125000114.7Y20 R21 Y120Y20-F118 WeakPolarHBondContact O-CD2 3.44Å; Y20-F118 WeakPolarHBondContact O-CE2 3.4Å; R21-F118 HydrophobicContact CG-CD2 4.36Å; R21-F118 HydrophobicContact CG-CE2 3.98Å; R21-F118 HydrophobicContact CG-CZ 4.24Å; R21-F118 PolarHBondContact NH2-O 3.4Å; F118-Y120 HydrophobicContact CB-CD2 4.24Å; F118-Y120 HydrophobicContact CB-CE2 4.48Å; F118-Y120 AromaticContact CD1-CE2 3.93Å; F118-Y120 HydrophobicContact CD1-CE2 3.93Å; F118-Y120 WeakPolarHBondContact O-CD2 3.42Å
119G93.5Very high91.5Very high0 Ų046.3 Ų46.30%024%0.236CC..THydrogen-bonded Turntrans86.80.4-177.700000116M1 I2 L116 D117 P121M1-G119 WeakPolarHBondContact CB-O 3.48Å; M1-G119 WeakPolarHBondContact CE-O 3.35Å; I2-G119 PolarHBondContact N-O 3.34Å; I2-G119 WeakPolarHBondContact O-CA 3.3Å; L116-G119 WeakPolarHBondContact CD1-O 3.34Å; D117-G119 PolarHBondContact O-N 2.61Å; G119-P121 WeakPolarHBondContact O-CD 3.08Å
120Y95.2Very high91Very high112 Ų11247.8 Ų47.844%0.43924%0.244SC..EExtended strand (participates in β ladder)trans-90.1113.1175.6-62.4-94000110M1 D117 F118 Q122M1-Y120 HydrophobicContact CB-CE2 4.38Å; M1-Y120 HydrophobicContact CE-CD1 3.7Å; M1-Y120 HydrophobicContact CE-CE1 4.27Å; M1-Y120 HydrophobicContact CE-CG 4.15Å; M1-Y120 HydrophobicContact CG-CD1 3.64Å; M1-Y120 HydrophobicContact CG-CD2 4.18Å; M1-Y120 HydrophobicContact CG-CE1 3.37Å; M1-Y120 HydrophobicContact CG-CE2 3.92Å; M1-Y120 HydrophobicContact CG-CG 4.02Å; M1-Y120 HydrophobicContact SD-CD1 4.2Å; M1-Y120 HydrophobicContact SD-CE1 4.17Å; D117-Y120 PolarHBondContact N-O 3.06Å; D117-Y120 WeakPolarHBondContact O-CA 3.32Å; D117-Y120 WeakPolarHBondContact O-CB 3.42Å; D117-Y120 WeakPolarHBondContact O-CD2 3.36Å; D117-Y120 PolarHBondContact O-N 2.97Å; F118-Y120 HydrophobicContact CB-CD2 4.24Å; F118-Y120 HydrophobicContact CB-CE2 4.48Å; F118-Y120 AromaticContact CD1-CE2 3.93Å; F118-Y120 HydrophobicContact CD1-CE2 3.93Å; F118-Y120 WeakPolarHBondContact O-CD2 3.42Å; Y120-Q122 PolarHBondContact O-N 2.95Å; Y120-Q122 PolarHBondContact O-NE2 3.18Å
121P95.7Very high90.4Very high42 Ų4244.4 Ų44.427%0.27323%0.229SC..EExtended strand (participates in β ladder)trans-58.7128.3175.7-25.535.7000110.7M77 F81 L116 G119M77-P121 HydrophobicContact CG-CG 4.46Å; M77-P121 HydrophobicContact SD-CG 4.44Å; F81-P121 HydrophobicContact CB-CG 4.28Å; F81-P121 HydrophobicContact CD2-CB 3.85Å; F81-P121 HydrophobicContact CD2-CG 4.13Å; F81-P121 HydrophobicContact CE2-CB 4.49Å; F81-P121 HydrophobicContact CG-CB 4.44Å; F81-P121 HydrophobicContact CG-CG 4.26Å; L116-P121 HydrophobicContact CD1-CB 4.4Å; L116-P121 HydrophobicContact CD1-CG 3.97Å; G119-P121 WeakPolarHBondContact O-CD 3.08Å
122Q93.3Very high89.8Confident92 Ų9247 Ų4743%0.4324%0.241SC..  trans-100.7-171.9177.4-57.3-57.4-32.200110.4E114 I115 D117 Y120 S124E114-Q122 WeakPolarHBondContact O-CB 3.24Å; I115-Q122 PolarHBondContact O-N 2.71Å; D117-Q122 HydrophobicContact CB-CG 4.14Å; Y120-Q122 PolarHBondContact O-N 2.95Å; Y120-Q122 PolarHBondContact O-NE2 3.18Å; Q122-S124 PolarHBondContact O-N 3.29Å
123N85.7Confident89.3Confident70 Ų7047.3 Ų47.337%0.37424%0.243SC..  trans-62.5122.9175.6-170-9.5000110.5E125N123-E125 VanDerWaalsContact OD1-CB 3.29Å; N123-E125 WeakPolarHBondContact OD1-CB 3.32Å; N123-E125 PolarHBondContact OD1-N 3.07Å
124S89.2Confident88.5Confident31 Ų3146.9 Ų46.922%0.21724%0.242CC..  trans-114.721.6-178.8490000112.7V88 Q122 T126V88-S124 WeakPolarHBondContact CG2-O 3.36Å; Q122-S124 PolarHBondContact O-N 3.29Å; S124-T126 PolarHBondContact O-N 3.18Å; S124-T126 VanDerWaalsContact O-N 3.07Å
125E85.5Confident87.4Confident36 Ų3647.9 Ų47.917%0.16825%0.247CC..  trans-63.1107.5174.8-89.7-74.4-167.300111N123 G127 A128 L129 W159 Q248N123-E125 VanDerWaalsContact OD1-CB 3.29Å; N123-E125 WeakPolarHBondContact OD1-CB 3.32Å; N123-E125 PolarHBondContact OD1-N 3.07Å; E125-G127 PolarHBondContact O-N 3.12Å; E125-A128 HydrophobicContact CB-CB 4.19Å; E125-A128 WeakPolarHBondContact O-CB 3.41Å; E125-A128 PolarHBondContact O-N 2.89Å; E125-L129 WeakPolarHBondContact O-CG 3.41Å; E125-L129 PolarHBondContact O-N 3.33Å; E125-W159 VanDerWaalsContact OE1-CB 3.3Å; E125-W159 WeakPolarHBondContact OE1-CB 3.49Å; E125-Q248 PolarHBondContact OE1-NE2 2.82Å
126T86Confident85.9Confident30 Ų3055.6 Ų55.618%0.18428%0.283CS..Hα-helixtrans-60.8-33.1-175.4-47.40000112.2A91 Y92 S124 A128 L129 K130A91-T126 HydrophobicContact CB-CG2 3.64Å; Y92-T126 HydrophobicContact CD2-CG2 4.35Å; Y92-T126 HydrophobicContact CE2-CG2 4.14Å; S124-T126 PolarHBondContact O-N 3.18Å; S124-T126 VanDerWaalsContact O-N 3.07Å; T126-A128 VanDerWaalsContact C-N 3.27Å; T126-A128 PolarHBondContact O-N 2.89Å; T126-L129 PolarHBondContact O-N 3.19Å; T126-K130 HydrophobicContact CG2-CD 4.06Å; T126-K130 HydrophobicContact CG2-CG 4.13Å; T126-K130 WeakPolarHBondContact O-CB 3.49Å; T126-K130 WeakPolarHBondContact O-CG 3.44Å; T126-K130 PolarHBondContact O-N 3.38Å
127G80.4Confident83.6Confident37 Ų3759.1 Ų59.138%0.38132%0.319SS..Hα-helixtrans-62.4-34.2176.300000112.9E125 T131E125-G127 PolarHBondContact O-N 3.12Å; G127-T131 WeakPolarHBondContact O-CG2 3.43Å
128A81Confident81.5Confident3 Ų360.7 Ų60.73%0.02533%0.326CS..Hα-helixtrans-78.2-50.8173.400000110.6E125 T126 K130 T131 F132 V153E125-A128 HydrophobicContact CB-CB 4.19Å; E125-A128 WeakPolarHBondContact O-CB 3.41Å; E125-A128 PolarHBondContact O-N 2.89Å; T126-A128 VanDerWaalsContact C-N 3.27Å; T126-A128 PolarHBondContact O-N 2.89Å; A128-K130 VanDerWaalsContact C-N 3.27Å; A128-K130 PolarHBondContact O-N 2.94Å; A128-T131 WeakPolarHBondContact O-CB 3.44Å; A128-T131 PolarHBondContact O-N 3.44Å; A128-T131 PolarHBondContact O-OG1 3.43Å; A128-F132 VanDerWaalsContact O-CD1 3.29Å; A128-F132 WeakPolarHBondContact O-CD1 3.48Å; A128-F132 WeakPolarHBondContact O-CE1 3.17Å; A128-V153 HydrophobicContact CB-CG2 4.22Å
129L87.4Confident79.4Confident3 Ų365 Ų652%0.01635%0.345CS..Hα-helixtrans-53.4-42.8-178.6-65.4171.9000112.3V88 Y92 L111 E114 I115 E125 T126 T131 F132 I133V88-L129 HydrophobicContact CG1-CD1 4Å; V88-L129 HydrophobicContact CG2-CD1 4.25Å; Y92-L129 HydrophobicContact CE2-CB 4.4Å; Y92-L129 PolarHBondContact OH-O 3.2Å; L111-L129 HydrophobicContact CD2-CD1 4.29Å; E114-L129 HydrophobicContact CB-CD2 4.47Å; E114-L129 HydrophobicContact CG-CD2 3.77Å; I115-L129 HydrophobicContact CG2-CD1 3.76Å; I115-L129 HydrophobicContact CG2-CD2 4.04Å; E125-L129 WeakPolarHBondContact O-CG 3.41Å; E125-L129 PolarHBondContact O-N 3.33Å; T126-L129 PolarHBondContact O-N 3.19Å; L129-T131 PolarHBondContact O-N 2.81Å; L129-F132 HydrophobicContact CD2-CE2 4.25Å; L129-F132 HydrophobicContact CD2-CZ 3.85Å; L129-F132 PolarHBondContact O-N 3.23Å; L129-I133 HydrophobicContact CD2-CD1 4.18Å; L129-I133 WeakPolarHBondContact O-CB 3.4Å; L129-I133 PolarHBondContact O-N 2.85Å
130K86Confident77.4Confident95 Ų9570.6 Ų70.641%0.41338%0.384SS..Hα-helixtrans-64.4-12.4-180-79.3-176174.5-172.20115A91 Y92 T126 A128A91-K130 WeakPolarHBondContact O-CE 3.45Å; A91-K130 PolarHBondContact O-NZ 3.41Å; Y92-K130 HydrophobicContact CD1-CG 4.5Å; Y92-K130 HydrophobicContact CE1-CG 3.82Å; Y92-K130 HydrophobicContact CE2-CG 3.87Å; Y92-K130 VanDerWaalsContact CZ-CG 3.48Å; Y92-K130 VanDerWaalsContact OH-CA 3.24Å; Y92-K130 WeakPolarHBondContact OH-CA 3.46Å; Y92-K130 PolarHBondContact OH-N 3.49Å; Y92-K130 VanDerWaalsContact OH-N 3.12Å; T126-K130 HydrophobicContact CG2-CD 4.06Å; T126-K130 HydrophobicContact CG2-CG 4.13Å; T126-K130 WeakPolarHBondContact O-CB 3.49Å; T126-K130 WeakPolarHBondContact O-CG 3.44Å; T126-K130 PolarHBondContact O-N 3.38Å; A128-K130 VanDerWaalsContact C-N 3.27Å; A128-K130 PolarHBondContact O-N 2.94Å
131T80.2Confident75.8Confident21 Ų2168.2 Ų68.213%0.12938%0.377CS..Hα-helixtrans-81.3-27.2178.163.20000112.9G127 A128 L129 Q141G127-T131 WeakPolarHBondContact O-CG2 3.43Å; A128-T131 WeakPolarHBondContact O-CB 3.44Å; A128-T131 PolarHBondContact O-N 3.44Å; A128-T131 PolarHBondContact O-OG1 3.43Å; L129-T131 PolarHBondContact O-N 2.81Å; T131-Q141 PolarHBondContact O-NE2 3.43Å; T131-Q141 VanDerWaalsContact O-NE2 3.1Å
132F82.7Confident74.6Confident56 Ų5669.8 Ų69.825%0.24639%0.386CS..Hα-helixtrans-122.5-23.4-178.354.4-88.7000114E114 A128 L129 I149 V153E114-F132 HydrophobicContact CG-CE2 3.78Å; E114-F132 HydrophobicContact CG-CZ 4.2Å; A128-F132 VanDerWaalsContact O-CD1 3.29Å; A128-F132 WeakPolarHBondContact O-CD1 3.48Å; A128-F132 WeakPolarHBondContact O-CE1 3.17Å; L129-F132 HydrophobicContact CD2-CE2 4.25Å; L129-F132 HydrophobicContact CD2-CZ 3.85Å; L129-F132 PolarHBondContact O-N 3.23Å; F132-I149 HydrophobicContact CB-CD1 4.47Å; F132-I149 HydrophobicContact CB-CG2 4.19Å; F132-I149 HydrophobicContact CD1-CG2 3.53Å; F132-I149 HydrophobicContact CE1-CG2 4.28Å; F132-I149 HydrophobicContact CG-CG2 4.21Å; F132-V153 HydrophobicContact CE1-CG2 3.72Å; F132-V153 HydrophobicContact CZ-CG2 4.39Å
133I84.8Confident73.7Confident6 Ų674.1 Ų74.13%0.03140%0.403CS..SBendtrans-100.698.6171.4-60.1174.8000107.6Y92 L107 E110 L111 E114 L129Y92-I133 HydrophobicContact CE1-CG2 4.44Å; Y92-I133 VanDerWaalsContact CE1-O 3.26Å; Y92-I133 WeakPolarHBondContact CE1-O 3.35Å; Y92-I133 PolarHBondContact OH-O 3.07Å; L107-I133 HydrophobicContact CD1-CG2 3.36Å; E110-I133 HydrophobicContact CG-CG1 4.5Å; E110-I133 HydrophobicContact CG-CG2 4.48Å; L111-I133 HydrophobicContact CD2-CB 4.5Å; L111-I133 HydrophobicContact CD2-CD1 3.86Å; L111-I133 HydrophobicContact CD2-CG2 4Å; L111-I133 HydrophobicContact CG-CG2 4.23Å; E114-I133 HydrophobicContact CB-CD1 3.82Å; E114-I133 HydrophobicContact CG-CD1 4.05Å; L129-I133 HydrophobicContact CD2-CD1 4.18Å; L129-I133 WeakPolarHBondContact O-CB 3.4Å; L129-I133 PolarHBondContact O-N 2.85Å
134T78.1Confident73.1Confident58 Ų5877.7 Ų77.736%0.35642%0.418SS..  trans-115.9137.4-176.360.60000112.2Q136T134-Q136 PolarHBondContact O-N 3.18Å; T134-Q136 PolarHBondContact OG1-O 3.27Å
135Q70.3Confident72.4Confident108 Ų10880.6 Ų80.651%0.50543%0.428SS..SBendtrans-68.3-22.6171.9-77.8179.1-18.200113.3N104 L107N104-Q135 PolarHBondContact OD1-NE2 2.98Å; L107-Q135 HydrophobicContact CD2-CG 3.73Å
136Q64Low71.8Confident164 Ų16483.7 Ų83.777%0.76644%0.442SS*.SBendtrans-90.7139.2179.2-63.4-173.1-0.600109.1T134 I138T134-Q136 PolarHBondContact O-N 3.18Å; T134-Q136 PolarHBondContact OG1-O 3.27Å; Q136-I138 PolarHBondContact O-N 3.24Å
137G48.6Very low71.3Confident74 Ų7485.7 Ų85.776%0.76346%0.457SS*.  trans-49.5132.8-17900000111.4K139G137-K139 PolarHBondContact O-N 2.89Å
138I48.7Very low71.1Confident137 Ų13789.9 Ų89.970%0.70347%0.467SS*.  trans-55102-174.9-55.6171.2000108.6Q136 S140Q136-I138 PolarHBondContact O-N 3.24Å; I138-S140 PolarHBondContact O-N 2.59Å
139K50.6Low70.8Confident191 Ų19190.9 Ų90.983%0.8347%0.472SS*.  trans-64.4131.4156.6-84.2-173.3174.9-177.20105.9G137 Q141G137-K139 PolarHBondContact O-N 2.89Å; K139-Q141 PolarHBondContact O-N 3.1Å
140S51.6Low70.2Confident116 Ų11694.6 Ų94.681%0.81150%0.495SS*.  trans-46.5105.4178.2-55.40000110.2I138 T142I138-S140 PolarHBondContact O-N 2.59Å; S140-T142 PolarHBondContact O-N 3.39Å
141Q62.7Low69.8Low62 Ų6293.2 Ų93.229%0.2950%0.497SS..  trans-67.1133.6178.2-75.4-176.3-13.600108.5T131 K139 E145 Q146T131-Q141 PolarHBondContact O-NE2 3.43Å; T131-Q141 VanDerWaalsContact O-NE2 3.1Å; K139-Q141 PolarHBondContact O-N 3.1Å; Q141-E145 WeakPolarHBondContact CA-OE2 3.37Å; Q141-E145 HydrophobicContact CB-CB 4.48Å; Q141-Q146 HydrophobicContact CB-CG 4.18Å
142T70.1Confident69.6Low75 Ų7593.1 Ų93.146%0.4650%0.495SS..  trans-68.3154.8175570000110.2S140 E144 E145 Q146S140-T142 PolarHBondContact O-N 3.39Å; T142-E144 PolarHBondContact O-N 3.19Å; T142-E145 PolarHBondContact N-OE2 3.21Å; T142-E145 PolarHBondContact O-N 3.28Å; T142-E145 VanDerWaalsContact O-N 3.11Å; T142-E145 VanDerWaalsContact OG1-CG 3.28Å; T142-E145 WeakPolarHBondContact OG1-CG 3.16Å; T142-E145 PolarHBondContact OG1-N 3.14Å; T142-E145 PolarHBondContact OG1-OE2 2.8Å; T142-Q146 PolarHBondContact O-N 3.35Å; T142-Q146 VanDerWaalsContact O-N 3.08Å
143K73.5Confident69.3Low184 Ų18492.8 Ų92.880%0.850%0.497SS*.Hα-helixtrans-54.4-35.5175.7-95.6-173.7174.9-178.50112.4Q146 S147K143-Q146 PolarHBondContact O-N 2.99Å; K143-S147 PolarHBondContact O-N 2.91Å
144E74.6Confident69.1Low145 Ų14597.8 Ų97.868%0.67853%0.528SS*.Hα-helixtrans-65.6-46.2177.3-73.8-176.2163.600111.8T142 Q146 S147 Q148T142-E144 PolarHBondContact O-N 3.19Å; E144-Q146 VanDerWaalsContact C-N 3.33Å; E144-Q146 PolarHBondContact O-N 2.99Å; E144-S147 PolarHBondContact O-N 3.31Å; E144-S147 VanDerWaalsContact O-N 3.16Å; E144-S147 PolarHBondContact O-OG 3.04Å; E144-Q148 PolarHBondContact O-N 3.2Å
145E74.2Confident69.1Low92 Ų9296.6 Ų96.643%0.4353%0.528SS..Hα-helixtrans-58.9-44.3175.3-74168146.700111.5Q141 T142 S147 Q148 I149Q141-E145 WeakPolarHBondContact CA-OE2 3.37Å; Q141-E145 HydrophobicContact CB-CB 4.48Å; T142-E145 PolarHBondContact N-OE2 3.21Å; T142-E145 PolarHBondContact O-N 3.28Å; T142-E145 VanDerWaalsContact O-N 3.11Å; T142-E145 VanDerWaalsContact OG1-CG 3.28Å; T142-E145 WeakPolarHBondContact OG1-CG 3.16Å; T142-E145 PolarHBondContact OG1-N 3.14Å; T142-E145 PolarHBondContact OG1-OE2 2.8Å; E145-S147 VanDerWaalsContact C-N 3.32Å; E145-S147 PolarHBondContact O-N 3.22Å; E145-Q148 PolarHBondContact O-N 3.04Å; E145-I149 VanDerWaalsContact O-CG1 3.25Å; E145-I149 WeakPolarHBondContact O-CG1 3.32Å; E145-I149 PolarHBondContact O-N 2.74Å
146Q73.3Confident69.6Low101 Ų101100.6 Ų100.647%0.47255%0.546SS..Hα-helixtrans-60.3-40.5176.1-74.3-177.9-12.200112.6Q141 T142 K143 E144 I149 T150Q141-Q146 HydrophobicContact CB-CG 4.18Å; T142-Q146 PolarHBondContact O-N 3.35Å; T142-Q146 VanDerWaalsContact O-N 3.08Å; K143-Q146 PolarHBondContact O-N 2.99Å; E144-Q146 VanDerWaalsContact C-N 3.33Å; E144-Q146 PolarHBondContact O-N 2.99Å; Q146-I149 PolarHBondContact O-N 3.35Å; Q146-T150 WeakPolarHBondContact O-CB 3.38Å; Q146-T150 PolarHBondContact O-N 2.84Å; Q146-T150 PolarHBondContact O-OG1 2.94Å
147S74.8Confident70.6Confident71 Ų7195 Ų9550%0.49752%0.521SS..Hα-helixtrans-66.5-37.5177.874.70000112.5K143 E144 E145 T150 S151K143-S147 PolarHBondContact O-N 2.91Å; E144-S147 PolarHBondContact O-N 3.31Å; E144-S147 VanDerWaalsContact O-N 3.16Å; E144-S147 PolarHBondContact O-OG 3.04Å; E145-S147 VanDerWaalsContact C-N 3.32Å; E145-S147 PolarHBondContact O-N 3.22Å; S147-T150 PolarHBondContact O-N 3.08Å; S147-S151 WeakPolarHBondContact O-CB 3.44Å; S147-S151 PolarHBondContact O-N 2.94Å; S147-S151 PolarHBondContact O-OG 3.12Å
148Q75.8Confident72.4Confident125 Ų12591.8 Ų91.858%0.58449%0.489SS*.Hα-helixtrans-68.5-39.5176-72.6-177700111.9E144 E145 S151 Q152E144-Q148 PolarHBondContact O-N 3.2Å; E145-Q148 PolarHBondContact O-N 3.04Å; Q148-S151 PolarHBondContact O-N 3.14Å; Q148-S151 PolarHBondContact O-OG 3.39Å; Q148-Q152 WeakPolarHBondContact O-CB 3.37Å; Q148-Q152 PolarHBondContact O-N 3.43Å
149I75Confident74.3Confident25 Ų2587.4 Ų87.413%0.12846%0.463CS..Hα-helixtrans-62.4-48.5175-68.1167.6000109.7F132 E145 Q146 S151 Q152 V153F132-I149 HydrophobicContact CB-CD1 4.47Å; F132-I149 HydrophobicContact CB-CG2 4.19Å; F132-I149 HydrophobicContact CD1-CG2 3.53Å; F132-I149 HydrophobicContact CE1-CG2 4.28Å; F132-I149 HydrophobicContact CG-CG2 4.21Å; E145-I149 VanDerWaalsContact O-CG1 3.25Å; E145-I149 WeakPolarHBondContact O-CG1 3.32Å; E145-I149 PolarHBondContact O-N 2.74Å; Q146-I149 PolarHBondContact O-N 3.35Å; I149-S151 VanDerWaalsContact C-N 3.32Å; I149-S151 PolarHBondContact O-N 2.74Å; I149-Q152 PolarHBondContact O-N 3.17Å; I149-V153 HydrophobicContact CG2-CG2 4.39Å; I149-V153 WeakPolarHBondContact O-CG2 3.31Å; I149-V153 PolarHBondContact O-N 2.88Å
150T75.1Confident76.2Confident81 Ų8178.5 Ų78.550%0.49743%0.425SS..Hα-helixtrans-57.2-48.3178.6-54.30000110.3Q146 S147 Q152 V153 T154Q146-T150 WeakPolarHBondContact O-CB 3.38Å; Q146-T150 PolarHBondContact O-N 2.84Å; Q146-T150 PolarHBondContact O-OG1 2.94Å; S147-T150 PolarHBondContact O-N 3.08Å; T150-Q152 VanDerWaalsContact C-N 3.32Å; T150-Q152 PolarHBondContact O-N 3.09Å; T150-V153 PolarHBondContact O-N 2.85Å; T150-T154 HydrophobicContact CG2-CG2 4.24Å; T150-T154 WeakPolarHBondContact O-CG2 3.33Å; T150-T154 PolarHBondContact O-N 3.38Å; T150-T154 PolarHBondContact O-OG1 3.2Å
151S77.1Confident77.8Confident66 Ų6679.2 Ų79.246%0.46241%0.409SS..Hα-helixtrans-64.9-33.3-179.974.70000113.2S147 Q148 I149 G155S147-S151 WeakPolarHBondContact O-CB 3.44Å; S147-S151 PolarHBondContact O-N 2.94Å; S147-S151 PolarHBondContact O-OG 3.12Å; Q148-S151 PolarHBondContact O-N 3.14Å; Q148-S151 PolarHBondContact O-OG 3.39Å; I149-S151 VanDerWaalsContact C-N 3.32Å; I149-S151 PolarHBondContact O-N 2.74Å; S151-G155 WeakPolarHBondContact O-CA 3.4Å; S151-G155 PolarHBondContact O-N 3.26Å
152Q76.7Confident78.9Confident18 Ų1882.2 Ų82.28%0.08442%0.424CS..Hα-helixtrans-68.3-41.4174.2-172.1-172.5-9.300111.7Q148 I149 T150 G158 R161Q148-Q152 WeakPolarHBondContact O-CB 3.37Å; Q148-Q152 PolarHBondContact O-N 3.43Å; I149-Q152 PolarHBondContact O-N 3.17Å; T150-Q152 VanDerWaalsContact C-N 3.32Å; T150-Q152 PolarHBondContact O-N 3.09Å; Q152-G158 PolarHBondContact NE2-O 2.66Å; Q152-R161 HydrophobicContact CG-CG 4.42Å
153V76.3Confident79.8Confident49 Ų4982.1 Ų82.130%0.29744%0.438SS..Hα-helixtrans-72.9-41.7-178.3175.10000111.4A128 F132 I149 T150A128-V153 HydrophobicContact CB-CG2 4.22Å; F132-V153 HydrophobicContact CE1-CG2 3.72Å; F132-V153 HydrophobicContact CZ-CG2 4.39Å; I149-V153 HydrophobicContact CG2-CG2 4.39Å; I149-V153 WeakPolarHBondContact O-CG2 3.31Å; I149-V153 PolarHBondContact O-N 2.88Å; T150-V153 PolarHBondContact O-N 2.85Å
154T79.9Confident80.7Confident111 Ų11174.5 Ų74.568%0.68141%0.405SS*.Hα-helixtrans-90.3-12.6-178.366.10000113.4T150T150-T154 HydrophobicContact CG2-CG2 4.24Å; T150-T154 WeakPolarHBondContact O-CG2 3.33Å; T150-T154 PolarHBondContact O-N 3.38Å; T150-T154 PolarHBondContact O-OG1 3.2Å
155G78.2Confident81.7Confident34 Ų3476.5 Ų76.535%0.35141%0.412SS..SBendtrans-72.1159.9-178.100000112.9S151 I157S151-G155 WeakPolarHBondContact O-CA 3.4Å; S151-G155 PolarHBondContact O-N 3.26Å; G155-I157 PolarHBondContact O-N 3.33Å
156Q80.3Confident82.8Confident191 Ų19175.5 Ų75.589%0.89340%0.404SS*.SBendtrans-64.9-19.4177.4-163.9-1797.500113
157I86.4Confident83.8Confident46 Ų4683 Ų8324%0.23643%0.428CS..  trans-119.489.8-178.1-58166.3000108.7G155 W159 R160 M207 I264G155-I157 PolarHBondContact O-N 3.33Å; I157-W159 HydrophobicContact CB-CZ2 4.45Å; I157-W159 HydrophobicContact CG1-CZ2 4.32Å; I157-W159 HydrophobicContact CG2-CD2 4.21Å; I157-W159 HydrophobicContact CG2-CG 4.43Å; I157-W159 HydrophobicContact CG2-CZ2 4.01Å; I157-R160 HydrophobicContact CG2-CB 4.16Å; I157-M207 HydrophobicContact CB-CE 4.24Å; I157-M207 HydrophobicContact CD1-CE 4.04Å; I157-M207 HydrophobicContact CG2-CE 3.72Å; I157-I264 HydrophobicContact CD1-CD1 3.41Å; I157-I264 VanDerWaalsContact CD1-CD1 3.41Å
158G84.9Confident84.8Confident8 Ų886.8 Ų86.88%0.08243%0.432CS..  trans-82.6-20.5-179.800000114.9Q152Q152-G158 PolarHBondContact NE2-O 2.66Å
159W88.4Confident85.9Confident44 Ų4481.8 Ų81.817%0.16741%0.409CS..SBendtrans-87.7-5.3-172.253.583000115.1E125 I157 Q248 C249 I264 P266E125-W159 VanDerWaalsContact OE1-CB 3.3Å; E125-W159 WeakPolarHBondContact OE1-CB 3.49Å; I157-W159 HydrophobicContact CB-CZ2 4.45Å; I157-W159 HydrophobicContact CG1-CZ2 4.32Å; I157-W159 HydrophobicContact CG2-CD2 4.21Å; I157-W159 HydrophobicContact CG2-CG 4.43Å; I157-W159 HydrophobicContact CG2-CZ2 4.01Å; W159-Q248 HydrophobicContact CE3-CG 3.75Å; W159-Q248 WeakPolarHBondContact CH2-O 3.3Å; W159-Q248 HydrophobicContact CZ3-CB 4.5Å; W159-Q248 HydrophobicContact CZ3-CG 3.94Å; W159-C249 HydrophobicContact CD2-CB 4.02Å; W159-C249 VanDerWaalsContact CE2-CB 3.43Å; W159-C249 HydrophobicContact CG-CB 4.29Å; W159-C249 VanDerWaalsContact CZ2-CA 3.41Å; W159-C249 HydrophobicContact CZ2-CB 3.81Å; W159-C249 VanDerWaalsContact NE1-CB 3.3Å; W159-I264 PolarHBondContact NE1-O 2.66Å; W159-P266 HydrophobicContact CB-CG 4.09Å; W159-P266 HydrophobicContact CG-CG 4.21Å
160R90.9Very high86.9Confident5 Ų582.8 Ų82.82%0.01941%0.413CS..SBendtrans-141.9130.5-177.9-169.2-175.9-177.369.910.1111.2I157 I164 L204 G206 M207 I264 P265 D267I157-R160 HydrophobicContact CG2-CB 4.16Å; R160-I164 HydrophobicContact CG-CD1 4.18Å; R160-L204 PolarHBondContact NH2-O 2.97Å; R160-G206 VanDerWaalsContact CZ-O 3.25Å; R160-G206 PolarHBondContact NE-O 3.23Å; R160-G206 PolarHBondContact NH2-O 2.96Å; R160-M207 HydrophobicContact CB-CE 4.08Å; R160-M207 HydrophobicContact CB-SD 4.08Å; R160-M207 VanDerWaalsContact CD-SD 3.54Å; R160-M207 HydrophobicContact CG-CE 4.27Å; R160-M207 HydrophobicContact CG-SD 3.62Å; R160-I264 HydrophobicContact CB-CG2 4.4Å; R160-I264 VanDerWaalsContact CD-CG2 3.49Å; R160-P265 VanDerWaalsContact CD-O 3.23Å; R160-P265 WeakPolarHBondContact CD-O 3.23Å; R160-P265 PolarHBondContact NH1-O 2.61Å; R160-D267 IonicContact NH1-OD1 2.76Å
161R85.1Confident88Confident130 Ų13078.9 Ų78.949%0.49139%0.389SS..  trans-84.3144177.4-68.8-175.5-63.7174.72111.8Q152 I164 M207Q152-R161 HydrophobicContact CG-CG 4.42Å; R161-I164 HydrophobicContact CB-CD1 4.18Å; R161-I164 HydrophobicContact CB-CG1 4.26Å; R161-I164 VanDerWaalsContact O-CD1 3.31Å; R161-I164 WeakPolarHBondContact O-CD1 3.32Å; R161-I164 WeakPolarHBondContact O-CG1 3.23Å; R161-M207 VanDerWaalsContact O-SD 3.39Å
162E86.7Confident89Confident126 Ų12678.7 Ų78.759%0.58938%0.38SS*.THydrogen-bonded Turntrans-69.4160.5166.1-60.3-156.4135.400110.9I164 M207 K408E162-I164 VanDerWaalsContact C-N 3.28Å; E162-I164 PolarHBondContact O-N 2.98Å; E162-M207 HydrophobicContact CG-CG 3.99Å; E162-M207 HydrophobicContact CG-SD 4.2Å; E162-K408 IonicContact OE1-NZ 3.84Å; E162-K408 PolarHBondContact OE1-NZ 3.31Å; E162-K408 VanDerWaalsContact OE1-NZ 3.1Å
163G88.7Confident90Very high73 Ų7378 Ų7875%0.75338%0.377SS*.THydrogen-bonded Turntrans78.2-1.9175.600000116.4K165G163-K165 PolarHBondContact O-N 3.25Å
164I93.1Very high91Very high24 Ų2477.1 Ų77.112%0.12337%0.371CS..  trans-57131.3174.3-62.7172.8000109.6R160 R161 E162 Y166 L204 S205 G206 D267R160-I164 HydrophobicContact CG-CD1 4.18Å; R161-I164 HydrophobicContact CB-CD1 4.18Å; R161-I164 HydrophobicContact CB-CG1 4.26Å; R161-I164 VanDerWaalsContact O-CD1 3.31Å; R161-I164 WeakPolarHBondContact O-CD1 3.32Å; R161-I164 WeakPolarHBondContact O-CG1 3.23Å; E162-I164 VanDerWaalsContact C-N 3.28Å; E162-I164 PolarHBondContact O-N 2.98Å; I164-Y166 HydrophobicContact CG2-CD2 3.92Å; I164-Y166 HydrophobicContact CG2-CE2 3.46Å; I164-Y166 VanDerWaalsContact CG2-CE2 3.46Å; I164-L204 WeakPolarHBondContact CG2-O 3.44Å; I164-S205 CarbonylContact O-C 3.57Å; I164-S205 VanDerWaalsContact O-CA 3.26Å; I164-S205 WeakPolarHBondContact O-CA 3.47Å; I164-G206 PolarHBondContact O-N 2.76Å; I164-D267 HydrophobicContact CD1-CB 3.81Å
165K95.6Very high91.9Very high186 Ų18671.9 Ų71.981%0.80934%0.338SS*.  trans-137.1126.3-179.9-167.2171.3-175.6172.50110.6G163G163-K165 PolarHBondContact O-N 3.25Å
166Y96.5Very high92.9Very high71 Ų7171.5 Ų71.528%0.27833%0.328SS..  trans-111.6149.3171.9-73.3-83000110.3I164 R168 Y203 L204 S205 D267I164-Y166 HydrophobicContact CG2-CD2 3.92Å; I164-Y166 HydrophobicContact CG2-CE2 3.46Å; I164-Y166 VanDerWaalsContact CG2-CE2 3.46Å; Y166-R168 WeakPolarHBondContact CB-O 3.07Å; Y166-R168 PolarHBondContact O-N 2.87Å; Y166-Y203 AromaticContact CE1-CD1 3.75Å; Y166-Y203 HydrophobicContact CE1-CD1 3.75Å; Y166-Y203 HydrophobicContact CE1-CG 4.2Å; Y166-Y203 AromaticContact CZ-CD1 3.74Å; Y166-L204 VanDerWaalsContact CD2-C 3.49Å; Y166-L204 WeakPolarHBondContact CD2-O 3.03Å; Y166-L204 WeakPolarHBondContact CE2-O 3.37Å; Y166-S205 PolarHBondContact N-OG 2.91Å; Y166-S205 PolarHBondContact O-OG 3.38Å; Y166-D267 WeakPolarHBondContact CE2-OD1 3.49Å; Y166-D267 VanDerWaalsContact OH-CG 3.3Å; Y166-D267 PolarHBondContact OH-OD1 3.35Å; Y166-D267 VanDerWaalsContact OH-OD1 3.08Å; Y166-D267 PolarHBondContact OH-OD2 2.73Å
167R95.2Very high93.7Very high259 Ų25962.5 Ų62.598%0.97729%0.286SS*.SBendtrans-63-31.6171.5-168.3177.481.1138.90.9111.6
168R95.7Very high94.3Very high151 Ų15161.1 Ų61.157%0.5728%0.281SS*.SBendtrans-143.8133.1-179.6-163.2179.2-160.3-159.811.5108.8Y166 E170 I417Y166-R168 WeakPolarHBondContact CB-O 3.07Å; Y166-R168 PolarHBondContact O-N 2.87Å; R168-E170 HydrophobicContact CB-CG 4.48Å; R168-E170 WeakPolarHBondContact CD-OE1 3.32Å; R168-E170 HydrophobicContact CG-CG 4.14Å; R168-E170 IonicContact CZ-OE1 2.72Å; R168-E170 IonicContact NE-OE1 3.64Å; R168-E170 IonicContact NH1-OE1 2.68Å; R168-E170 PolarHBondContact NH1-OE1 3.49Å; R168-E170 VanDerWaalsContact NH1-OE1 3.08Å; R168-I417 HydrophobicContact CG-CD1 4.43Å
169N97.7Very high94.9Very high19 Ų1960.7 Ų60.710%0.10228%0.277CS..EExtended strand (participates in β ladder)trans-84.9117.8178.8-62.6-49.7000109.7Y203 L204 S205 V416 I417N169-Y203 CarbonylContact C-O 3.45Å; N169-Y203 VanDerWaalsContact CA-O 3.31Å; N169-Y203 WeakPolarHBondContact CA-O 3.17Å; N169-L204 HydrophobicContact CB-CD2 3.79Å; N169-S205 WeakPolarHBondContact OD1-CB 3.31Å; N169-S205 PolarHBondContact OD1-N 3.32Å; N169-S205 PolarHBondContact OD1-OG 2.9Å; N169-V416 HydrophobicContact CB-CB 4.47Å; N169-V416 HydrophobicContact CB-CG1 4.47Å; N169-V416 HydrophobicContact CB-CG2 3.92Å; N169-V416 WeakPolarHBondContact O-CA 3.22Å; N169-I417 PolarHBondContact O-N 2.94Å
170E97.6Very high95.3Very high46 Ų4659.7 Ų59.722%0.21528%0.275CS..EExtended strand (participates in β ladder)trans-135.2139.3-176.6-58.4-171.8139.900111.5R168 F172 Y203 I417R168-E170 HydrophobicContact CB-CG 4.48Å; R168-E170 WeakPolarHBondContact CD-OE1 3.32Å; R168-E170 HydrophobicContact CG-CG 4.14Å; R168-E170 IonicContact CZ-OE1 2.72Å; R168-E170 IonicContact NE-OE1 3.64Å; R168-E170 IonicContact NH1-OE1 2.68Å; R168-E170 PolarHBondContact NH1-OE1 3.49Å; R168-E170 VanDerWaalsContact NH1-OE1 3.08Å; E170-F172 HydrophobicContact CB-CE2 3.81Å; E170-F172 HydrophobicContact CB-CZ 4.26Å; E170-Y203 PolarHBondContact N-O 2.77Å; E170-Y203 PolarHBondContact O-N 3.05Å; E170-I417 CarbonylContact C-O 3.57Å; E170-I417 WeakPolarHBondContact CA-O 3.07Å; E170-I417 HydrophobicContact CG-CB 4.31Å
171L97.3Very high95.7Very high0 Ų059.7 Ų59.70%028%0.275CS..EExtended strand (participates in β ladder)trans-125.5134.4174.3-70.2-178.1000110.6M200 K201 S202 L204 L402 V404 V416 I417 K418 W419L171-M200 HydrophobicContact CD1-CE 3.66Å; L171-M200 HydrophobicContact CD2-CE 3.22Å; L171-M200 HydrophobicContact CG-CE 3.97Å; L171-K201 WeakPolarHBondContact CA-O 3.38Å; L171-S202 WeakPolarHBondContact CD2-OG 3.32Å; L171-L204 HydrophobicContact CD1-CD1 4.14Å; L171-L204 HydrophobicContact CD2-CD1 3.67Å; L171-L204 HydrophobicContact CD2-CD2 4Å; L171-L204 HydrophobicContact CD2-CG 3.67Å; L171-L204 HydrophobicContact CG-CD1 4.11Å; L171-L204 HydrophobicContact CG-CD2 3.96Å; L171-L204 HydrophobicContact CG-CG 4.17Å; L171-L402 HydrophobicContact CB-CD2 4.19Å; L171-L402 HydrophobicContact CD1-CD2 3.57Å; L171-L402 HydrophobicContact CD1-CG 4.15Å; L171-V404 HydrophobicContact CD1-CG2 3.46Å; L171-V404 VanDerWaalsContact CD1-CG2 3.46Å; L171-V416 HydrophobicContact CD1-CG1 4.18Å; L171-V416 HydrophobicContact CG-CG1 4Å; L171-I417 PolarHBondContact N-O 2.98Å; L171-K418 HydrophobicContact CB-CG 4.43Å; L171-K418 CarbonylContact O-C 3.56Å; L171-K418 WeakPolarHBondContact O-CA 3.41Å; L171-W419 PolarHBondContact O-N 3.05Å
172F98Very high96.2Very high62 Ų6255.6 Ų55.627%0.27226%0.263SS..EExtended strand (participates in β ladder)trans-122.7127174-54.9-97.2000109.4E170 M200 K201 Y203 W419E170-F172 HydrophobicContact CB-CE2 3.81Å; E170-F172 HydrophobicContact CB-CZ 4.26Å; F172-M200 CarbonylContact O-C 3.58Å; F172-M200 WeakPolarHBondContact O-CA 3.49Å; F172-K201 HydrophobicContact CB-CB 4.13Å; F172-K201 HydrophobicContact CB-CG 4.45Å; F172-K201 HydrophobicContact CD2-CB 4.27Å; F172-K201 PolarHBondContact N-O 3.24Å; F172-K201 PolarHBondContact O-N 3.47Å; F172-Y203 HydrophobicContact CD2-CD2 4.22Å; F172-Y203 HydrophobicContact CD2-CE2 4.17Å; F172-Y203 AromaticContact CE2-CD2 3.91Å; F172-Y203 HydrophobicContact CE2-CD2 3.91Å; F172-Y203 HydrophobicContact CE2-CE2 4.01Å; F172-W419 HydrophobicContact CD1-CB 3.65Å; F172-W419 AromaticContact CD1-CD1 3.54Å; F172-W419 AromaticContact CD1-CG 3.74Å; F172-W419 HydrophobicContact CD1-CG 3.74Å; F172-W419 HydrophobicContact CE1-CB 4.2Å; F172-W419 AromaticContact CE1-CD1 3.21Å; F172-W419 AromaticContact CE1-CG 3.75Å; F172-W419 HydrophobicContact CE1-CG 3.75Å; F172-W419 AromaticContact CE1-NE1 3.73Å; F172-W419 HydrophobicContact CG-CB 4.4Å; F172-W419 AromaticContact CZ-CD1 3.85Å
173L97.8Very high96.7Very high4 Ų449.9 Ų49.92%0.02124%0.236CC..EExtended strand (participates in β ladder)trans-113.7120.1175-67.3179.3000110.4V198 V199 M200 F212 V399 L402 W419 V420 R421L173-V198 HydrophobicContact CD2-CG1 4.03Å; L173-V199 WeakPolarHBondContact CA-O 3.36Å; L173-M200 HydrophobicContact CD2-CB 3.71Å; L173-M200 HydrophobicContact CD2-CG 3.68Å; L173-M200 HydrophobicContact CD2-SD 3.99Å; L173-F212 HydrophobicContact CD1-CD2 4.17Å; L173-F212 HydrophobicContact CD1-CE2 3.95Å; L173-V399 HydrophobicContact CD1-CG1 4.36Å; L173-V399 HydrophobicContact CD1-CG2 4.45Å; L173-L402 HydrophobicContact CD1-CB 4.45Å; L173-L402 HydrophobicContact CD1-CD2 3.62Å; L173-L402 HydrophobicContact CD1-CG 4.47Å; L173-L402 HydrophobicContact CG-CD2 4.06Å; L173-W419 PolarHBondContact N-O 2.93Å; L173-V420 HydrophobicContact CB-CB 4.41Å; L173-V420 HydrophobicContact CB-CG2 4.22Å; L173-V420 CarbonylContact O-C 3.54Å; L173-V420 VanDerWaalsContact O-CA 3.29Å; L173-V420 WeakPolarHBondContact O-CA 3.48Å; L173-R421 PolarHBondContact O-N 3.12Å
174D98Very high96.9Very high30 Ų3046.7 Ų46.716%0.1620%0.202CC..EExtended strand (participates in β ladder)trans-104.6109.9169.6-78.8-26.9000108.9L176 V199 R421D174-L176 HydrophobicContact CB-CD2 4.09Å; D174-L176 HydrophobicContact CB-CG 4.1Å; D174-L176 PolarHBondContact O-N 2.8Å; D174-V199 HydrophobicContact CB-CB 4.32Å; D174-V199 PolarHBondContact N-O 2.85Å; D174-V199 PolarHBondContact O-N 2.93Å; D174-R421 WeakPolarHBondContact OD1-CB 3.44Å; D174-R421 WeakPolarHBondContact OD1-CD 3.26Å; D174-R421 IonicContact OD1-NH1 3.97Å; D174-R421 IonicContact OD2-NH1 2.88Å
175V98Very high96.5Very high0 Ų048.2 Ų48.20%021%0.214CC..EExtended strand (participates in β ladder)trans-86.8104.1169.7-179.10000107.8E177 V198 Y275 A393 L397 V399 V420 R421 Y422 I423V175-E177 HydrophobicContact CG1-CG 4.4Å; V175-V198 HydrophobicContact CG2-CG2 4.5Å; V175-Y275 VanDerWaalsContact CG1-OH 3.28Å; V175-Y275 WeakPolarHBondContact CG1-OH 3.35Å; V175-A393 HydrophobicContact CG1-CB 4.4Å; V175-L397 HydrophobicContact CG1-CD2 3.81Å; V175-L397 HydrophobicContact CG2-CD2 4.14Å; V175-V399 HydrophobicContact CG2-CG2 4.16Å; V175-V420 HydrophobicContact CG2-CG2 4.41Å; V175-R421 PolarHBondContact N-O 2.97Å; V175-Y422 HydrophobicContact CB-CD1 3.61Å; V175-Y422 HydrophobicContact CB-CE1 4Å; V175-Y422 HydrophobicContact CB-CG 4.39Å; V175-Y422 HydrophobicContact CG1-CD1 3.84Å; V175-Y422 HydrophobicContact CG1-CE1 4.22Å; V175-Y422 HydrophobicContact CG2-CD1 3.92Å; V175-Y422 HydrophobicContact CG2-CE1 3.77Å; V175-I423 PolarHBondContact O-N 3.22Å
176L98.3Very high96.2Very high27 Ų2746.9 Ų46.914%0.14121%0.21CC..EExtended strand (participates in β ladder)trans-108.9116.8-173.8-57.2178.6000109.8D174 G196 R197 V199 I423D174-L176 HydrophobicContact CB-CD2 4.09Å; D174-L176 HydrophobicContact CB-CG 4.1Å; D174-L176 PolarHBondContact O-N 2.8Å; L176-G196 CarbonylContact O-C 3.55Å; L176-G196 WeakPolarHBondContact O-CA 3.47Å; L176-R197 HydrophobicContact CB-CG 3.92Å; L176-R197 HydrophobicContact CD1-CG 4.49Å; L176-R197 PolarHBondContact N-O 2.76Å; L176-R197 PolarHBondContact O-N 2.88Å; L176-V199 HydrophobicContact CD1-CG2 3.86Å; L176-I423 HydrophobicContact CD2-CB 3.91Å; L176-I423 HydrophobicContact CD2-CD1 3.39Å; L176-I423 HydrophobicContact CD2-CG1 3.86Å
177E98.1Very high95.8Very high1 Ų144.2 Ų44.21%0.00521%0.205CC..EExtended strand (participates in β ladder)trans-121.5135.1-177.1-69.7-166.1168.800111.6V175 V194 Y275 A393 P394 S395 I423 G424 R425V175-E177 HydrophobicContact CG1-CG 4.4Å; E177-V194 HydrophobicContact CB-CG1 3.73Å; E177-V194 HydrophobicContact CG-CG1 3.87Å; E177-Y275 WeakPolarHBondContact CG-OH 3.35Å; E177-Y275 WeakPolarHBondContact OE1-CE2 3.47Å; E177-Y275 PolarHBondContact OE1-OH 2.9Å; E177-A393 HydrophobicContact CG-CB 4.39Å; E177-A393 VanDerWaalsContact OE2-CA 3.28Å; E177-A393 WeakPolarHBondContact OE2-CA 3.45Å; E177-A393 WeakPolarHBondContact OE2-CB 3.32Å; E177-P394 WeakPolarHBondContact OE2-CD 3.38Å; E177-S395 VanDerWaalsContact CD-OG 3.22Å; E177-S395 WeakPolarHBondContact OE1-CB 3.42Å; E177-S395 PolarHBondContact OE1-OG 3.39Å; E177-S395 WeakPolarHBondContact OE2-CB 3.5Å; E177-S395 PolarHBondContact OE2-N 2.82Å; E177-S395 PolarHBondContact OE2-OG 3.3Å; E177-I423 PolarHBondContact N-O 3.45Å; E177-G424 CarbonylContact O-C 3.53Å; E177-G424 WeakPolarHBondContact O-CA 3.09Å; E177-R425 WeakPolarHBondContact O-CG 3.43Å; E177-R425 PolarHBondContact O-N 3.4Å
178S98.2Very high95.7Very high17 Ų1738.4 Ų38.412%0.11919%0.189CC..EExtended strand (participates in β ladder)trans-112.9118.4174.3-49.40000108.9V194 S195 R425S178-V194 WeakPolarHBondContact O-CA 3.48Å; S178-S195 PolarHBondContact N-O 2.58Å; S178-S195 PolarHBondContact O-N 3.27Å; S178-R425 CarbonylContact C-O 3.55Å; S178-R425 WeakPolarHBondContact CA-O 3.28Å; S178-R425 PolarHBondContact OG-NE 2.98Å
179V97.9Very high95.7Very high0 Ų034.4 Ų34.40%018%0.181CC..EExtended strand (participates in β ladder)trans-85.8115.4177.8-169.70000109V194 L283 P284 F388 P394 R425 G427 Y429V179-V194 HydrophobicContact CG2-CG2 4.33Å; V179-L283 HydrophobicContact CG1-CD2 4.15Å; V179-P284 HydrophobicContact CG2-CG 4.42Å; V179-F388 HydrophobicContact CB-CZ 4.46Å; V179-P394 HydrophobicContact CG2-CB 3.44Å; V179-P394 VanDerWaalsContact CG2-CB 3.44Å; V179-P394 HydrophobicContact CG2-CG 3.35Å; V179-R425 PolarHBondContact N-O 2.86Å; V179-G427 PolarHBondContact O-N 2.86Å; V179-Y429 HydrophobicContact CB-CD2 4.26Å; V179-Y429 HydrophobicContact CB-CE2 4.42Å; V179-Y429 HydrophobicContact CG1-CD2 4.06Å; V179-Y429 HydrophobicContact CG1-CE2 3.9Å
180N97.8Very high95.5Very high23 Ų2337.3 Ų37.312%0.12320%0.196CC..EExtended strand (participates in β ladder)trans-98.6127170.3-59.2-55.8000108.2A192 H193 S195 G427 I428N180-A192 CarbonylContact O-C 3.55Å; N180-A192 VanDerWaalsContact O-CA 3.24Å; N180-A192 WeakPolarHBondContact O-CA 3.36Å; N180-H193 WeakPolarHBondContact CB-CE1 3.26Å; N180-H193 PolarHBondContact N-O 3.29Å; N180-H193 PolarHBondContact ND2-CD2 3.23Å; N180-H193 PolarHBondContact ND2-CE1 3Å; N180-H193 PolarHBondContact ND2-NE2 3.28Å; N180-H193 PolarHBondContact O-N 3.02Å; N180-S195 PolarHBondContact ND2-OG 3.08Å; N180-G427 VanDerWaalsContact OD1-CA 3.29Å; N180-G427 WeakPolarHBondContact OD1-CA 3.21Å; N180-I428 CarbonylContact C-O 3.53Å; N180-I428 VanDerWaalsContact CA-O 3.24Å; N180-I428 WeakPolarHBondContact CA-O 3.14Å; N180-I428 PolarHBondContact OD1-N 2.81Å
181L97.6Very high95.5Very high5 Ų538.1 Ų38.13%0.02621%0.207CC..EExtended strand (participates in β ladder)trans-139.1133.9-179.417768.6000109.2M183 V189 S191 A192 L283 I428 Y429 E430L181-M183 HydrophobicContact CD2-CB 4.45Å; L181-M183 HydrophobicContact CG-CB 4.45Å; L181-V189 HydrophobicContact CD1-CB 4.47Å; L181-V189 HydrophobicContact CD1-CG1 3.76Å; L181-V189 HydrophobicContact CD1-CG2 4.16Å; L181-S191 CarbonylContact C-O 3.43Å; L181-S191 WeakPolarHBondContact CA-O 3.46Å; L181-A192 HydrophobicContact CD1-CB 3.76Å; L181-L283 HydrophobicContact CD1-CD1 3.98Å; L181-L283 HydrophobicContact CD1-CD2 4.07Å; L181-L283 HydrophobicContact CD2-CD1 4.42Å; L181-I428 PolarHBondContact N-O 2.91Å; L181-I428 VanDerWaalsContact O-O 3.09Å; L181-Y429 HydrophobicContact CB-CD2 3.62Å; L181-Y429 HydrophobicContact CB-CE2 3.67Å; L181-Y429 HydrophobicContact CB-CG 4.09Å; L181-Y429 HydrophobicContact CD2-CD1 4.23Å; L181-Y429 HydrophobicContact CD2-CD2 4.27Å; L181-Y429 HydrophobicContact CD2-CE1 3.61Å; L181-Y429 HydrophobicContact CD2-CE2 3.64Å; L181-Y429 WeakPolarHBondContact CD2-OH 3.44Å; L181-Y429 HydrophobicContact CG-CE2 4.29Å; L181-E430 PolarHBondContact O-N 3.28Å
182L97.1Very high95.4Very high44 Ų4439 Ų3923%0.2321%0.214CC..EExtended strand (participates in β ladder)trans-122.7118.6161.5-179.664.3000108.4L190 S191 E430 R432L182-L190 HydrophobicContact CD2-CB 4.42Å; L182-L190 HydrophobicContact CD2-CD1 4.35Å; L182-L190 HydrophobicContact CG-CB 4.31Å; L182-L190 HydrophobicContact CG-CD1 4.24Å; L182-L190 WeakPolarHBondContact O-CA 3.44Å; L182-L190 WeakPolarHBondContact O-CB 3.37Å; L182-L190 PolarHBondContact O-N 3.22Å; L182-S191 PolarHBondContact N-O 2.77Å; L182-S191 PolarHBondContact O-N 3.24Å; L182-E430 CarbonylContact C-O 3.57Å; L182-E430 WeakPolarHBondContact CA-O 3.25Å; L182-E430 HydrophobicContact CD1-CB 4.3Å; L182-R432 HydrophobicContact CD1-CG 4.18Å
183M95.9Very high95.4Very high5 Ų538.3 Ų38.33%0.02521%0.211CC..EExtended strand (participates in β ladder)trans-114.7143-179.7-166.6165.963.300111.2L181 Q188 R286 V287 E430 T431 R432L181-M183 HydrophobicContact CD2-CB 4.45Å; L181-M183 HydrophobicContact CG-CB 4.45Å; M183-Q188 CarbonylContact C-O 3.6Å; M183-Q188 WeakPolarHBondContact CA-O 3.39Å; M183-Q188 WeakPolarHBondContact CG-O 3.27Å; M183-R286 HydrophobicContact CE-CG 4.16Å; M183-R286 HydrophobicContact SD-CG 4.39Å; M183-V287 WeakPolarHBondContact CE-O 3.46Å; M183-E430 PolarHBondContact N-O 2.87Å; M183-T431 HydrophobicContact CB-CG2 4.09Å; M183-T431 HydrophobicContact CE-CG2 3.6Å; M183-T431 WeakPolarHBondContact CE-OG1 3.04Å; M183-T431 HydrophobicContact CG-CG2 4.42Å; M183-R432 PolarHBondContact O-N 3.18Å
184S93.3Very high95.4Very high6 Ų638.1 Ų38.14%0.04221%0.21CC..  trans-70.7164.4174.381.50000111.5Q186 G187 Q188S184-Q186 PolarHBondContact O-N 3.32Å; S184-Q186 PolarHBondContact OG-N 3.48Å; S184-Q186 PolarHBondContact OG-OE1 2.86Å; S184-G187 PolarHBondContact O-N 3.04Å; S184-G187 PolarHBondContact OG-N 2.86Å; S184-Q188 PolarHBondContact N-O 2.75Å; S184-Q188 WeakPolarHBondContact OG-CB 3.47Å; S184-Q188 PolarHBondContact OG-N 3.08Å
185P85.8Confident95.4Very high57 Ų5738.7 Ų38.737%0.3722%0.217SC..THydrogen-bonded Turntrans-59.5-29.5173.8-22.633.9000113.5G187 R432P185-G187 PolarHBondContact O-N 2.9Å; P185-R432 VanDerWaalsContact CA-O 3.31Å; P185-R432 WeakPolarHBondContact CA-O 3.16Å; P185-R432 HydrophobicContact CG-CB 3.93Å
186Q87.9Confident95.3Very high157 Ų15738.8 Ų38.873%0.73422%0.218SC*.THydrogen-bonded Turntrans-80.3-2.7177.7-5976.418.400112.6S184S184-Q186 PolarHBondContact O-N 3.32Å; S184-Q186 PolarHBondContact OG-N 3.48Å; S184-Q186 PolarHBondContact OG-OE1 2.86Å
187G87.9Confident95.3Very high16 Ų1641.1 Ų41.117%0.16522%0.224CC..SBendtrans8418179.600000114.6S184 P185 R286S184-G187 PolarHBondContact O-N 3.04Å; S184-G187 PolarHBondContact OG-N 2.86Å; P185-G187 PolarHBondContact O-N 2.9Å; G187-R286 PolarHBondContact O-NH2 3.08Å
188Q93.9Very high95.3Very high137 Ų13741 Ų4164%0.6422%0.224SC*.  trans-82.8132.2171.2-175.7-174.3-15.600109.6M183 S184 L190M183-Q188 CarbonylContact C-O 3.6Å; M183-Q188 WeakPolarHBondContact CA-O 3.39Å; M183-Q188 WeakPolarHBondContact CG-O 3.27Å; S184-Q188 PolarHBondContact N-O 2.75Å; S184-Q188 WeakPolarHBondContact OG-CB 3.47Å; S184-Q188 PolarHBondContact OG-N 3.08Å; Q188-L190 PolarHBondContact O-N 2.69Å
189V94.8Very high95.3Very high67 Ų6740.9 Ų40.941%0.40622%0.222SC..EExtended strand (participates in β ladder)trans-69.7114.2173.7179.40000109L181 A192 L283L181-V189 HydrophobicContact CD1-CB 4.47Å; L181-V189 HydrophobicContact CD1-CG1 3.76Å; L181-V189 HydrophobicContact CD1-CG2 4.16Å; V189-A192 HydrophobicContact CG1-CB 3.61Å; V189-L283 HydrophobicContact CG2-CD1 3.77Å
190L95.2Very high95.3Very high80 Ų8040.9 Ų40.942%0.41922%0.222SC..EExtended strand (participates in β ladder)trans-87-39.4177.8-60.2178.2000111.4L182 Q188L182-L190 HydrophobicContact CD2-CB 4.42Å; L182-L190 HydrophobicContact CD2-CD1 4.35Å; L182-L190 HydrophobicContact CG-CB 4.31Å; L182-L190 HydrophobicContact CG-CD1 4.24Å; L182-L190 WeakPolarHBondContact O-CA 3.44Å; L182-L190 WeakPolarHBondContact O-CB 3.37Å; L182-L190 PolarHBondContact O-N 3.22Å; Q188-L190 PolarHBondContact O-N 2.69Å
191S95.9Very high95.3Very high63 Ų6342.8 Ų42.844%0.44123%0.229SC..EExtended strand (participates in β ladder)trans-150136.5173.5-178.30000108.4L181 L182L181-S191 CarbonylContact C-O 3.43Å; L181-S191 WeakPolarHBondContact CA-O 3.46Å; L182-S191 PolarHBondContact N-O 2.77Å; L182-S191 PolarHBondContact O-N 3.24Å
192A96.4Very high95.3Very high18 Ų1842.5 Ų42.515%0.14923%0.228CC..EExtended strand (participates in β ladder)trans-149.9137.1169.200000110.9N180 L181 V189 I281 L283N180-A192 CarbonylContact O-C 3.55Å; N180-A192 VanDerWaalsContact O-CA 3.24Å; N180-A192 WeakPolarHBondContact O-CA 3.36Å; L181-A192 HydrophobicContact CD1-CB 3.76Å; V189-A192 HydrophobicContact CG1-CB 3.61Å; A192-I281 HydrophobicContact CB-CD1 3.42Å; A192-I281 VanDerWaalsContact CB-CD1 3.42Å; A192-L283 HydrophobicContact CB-CD2 4.34Å
193H96.9Very high95.3Very high48 Ų4844.3 Ų44.322%0.22223%0.233CC..EExtended strand (participates in β ladder)trans-156.3154174.466.9-82.5000110.3N180 T277 T278N180-H193 WeakPolarHBondContact CB-CE1 3.26Å; N180-H193 PolarHBondContact N-O 3.29Å; N180-H193 PolarHBondContact ND2-CD2 3.23Å; N180-H193 PolarHBondContact ND2-CE1 3Å; N180-H193 PolarHBondContact ND2-NE2 3.28Å; N180-H193 PolarHBondContact O-N 3.02Å; H193-T277 CarbonylContact C-O 3.59Å; H193-T277 VanDerWaalsContact CA-O 3.32Å; H193-T277 WeakPolarHBondContact CA-O 3.41Å; H193-T278 HydrophobicContact CB-CG2 3.75Å
194V97.8Very high95.4Very high0 Ų044.1 Ų44.10%023%0.231CC..EExtended strand (participates in β ladder)trans-104.7126.1173173.50000108.3E177 S178 V179 R276 T277 I281 P394E177-V194 HydrophobicContact CB-CG1 3.73Å; E177-V194 HydrophobicContact CG-CG1 3.87Å; S178-V194 WeakPolarHBondContact O-CA 3.48Å; V179-V194 HydrophobicContact CG2-CG2 4.33Å; V194-R276 WeakPolarHBondContact O-CA 3.41Å; V194-T277 PolarHBondContact N-O 2.8Å; V194-T277 PolarHBondContact O-N 2.79Å; V194-I281 HydrophobicContact CB-CG2 4.38Å; V194-I281 HydrophobicContact CG2-CB 4.07Å; V194-I281 HydrophobicContact CG2-CG2 3.75Å; V194-P394 HydrophobicContact CG2-CB 4.04Å
195S97.8Very high95.6Very high42 Ų4244.1 Ų44.129%0.29423%0.232SC..EExtended strand (participates in β ladder)trans-99.7108.7166.6-57.90000108.2S178 N180S178-S195 PolarHBondContact N-O 2.58Å; S178-S195 PolarHBondContact O-N 3.27Å; N180-S195 PolarHBondContact ND2-OG 3.08Å
196G97.6Very high96Very high2 Ų241.9 Ų41.92%0.02122%0.219CC..EExtended strand (participates in β ladder)trans-108152.3-178.100000112.7L176 R274 Y275L176-G196 CarbonylContact O-C 3.55Å; L176-G196 WeakPolarHBondContact O-CA 3.47Å; G196-R274 CarbonylContact O-C 3.49Å; G196-R274 WeakPolarHBondContact O-CA 3.5Å; G196-R274 VanDerWaalsContact O-CG 3.29Å; G196-R274 WeakPolarHBondContact O-CG 3.37Å; G196-Y275 VanDerWaalsContact C-CE1 3.48Å; G196-Y275 PolarHBondContact N-O 3.31Å; G196-Y275 PolarHBondContact O-N 3.42Å; G196-Y275 VanDerWaalsContact O-O 3.09Å
197R98Very high96.3Very high75 Ų7535.7 Ų35.728%0.28319%0.19SC..EExtended strand (participates in β ladder)trans-143.9149.416864179.1179.4-146.79.2110.4L176 V199 E271 M273 R274L176-R197 HydrophobicContact CB-CG 3.92Å; L176-R197 HydrophobicContact CD1-CG 4.49Å; L176-R197 PolarHBondContact N-O 2.76Å; L176-R197 PolarHBondContact O-N 2.88Å; R197-V199 HydrophobicContact CG-CG2 4.33Å; R197-E271 HydrophobicContact CB-CG 4.22Å; R197-E271 VanDerWaalsContact CD-OE2 3.26Å; R197-E271 WeakPolarHBondContact CD-OE2 3.25Å; R197-M273 CarbonylContact C-O 3.55Å; R197-M273 VanDerWaalsContact CA-O 3.26Å; R197-M273 WeakPolarHBondContact CA-O 3.35Å; R197-R274 HydrophobicContact CB-CB 4.35Å; R197-R274 HydrophobicContact CB-CG 4.46Å
198V97.8Very high96.8Very high0 Ų035 Ų350%018%0.182CC..EExtended strand (participates in β ladder)trans-108.2109.3174.4-175.50000107.4L173 V175 F212 L272 M273 Y275L173-V198 HydrophobicContact CD2-CG1 4.03Å; V175-V198 HydrophobicContact CG2-CG2 4.5Å; V198-F212 HydrophobicContact CG1-CZ 4.47Å; V198-F212 HydrophobicContact CG2-CZ 4.37Å; V198-L272 PolarHBondContact O-N 2.9Å; V198-M273 HydrophobicContact CB-CG 3.8Å; V198-M273 HydrophobicContact CG2-CG 3.64Å; V198-M273 HydrophobicContact CG2-SD 4.05Å; V198-M273 PolarHBondContact N-O 3.37Å; V198-Y275 HydrophobicContact CG2-CE1 4.03Å
199V98.1Very high96.9Very high13 Ų1331 Ų318%0.07916%0.164CC..EExtended strand (participates in β ladder)trans-94.8129.4173.6179.30000107.9L173 D174 L176 R197 E269 F270L173-V199 WeakPolarHBondContact CA-O 3.36Å; D174-V199 HydrophobicContact CB-CB 4.32Å; D174-V199 PolarHBondContact N-O 2.85Å; D174-V199 PolarHBondContact O-N 2.93Å; L176-V199 HydrophobicContact CD1-CG2 3.86Å; R197-V199 HydrophobicContact CG-CG2 4.33Å; V199-E269 HydrophobicContact CG1-CG 3.76Å; V199-F270 WeakPolarHBondContact CA-O 3.5Å
200M97.8Very high96.9Very high0 Ų027.8 Ų27.80%014%0.144CC..EExtended strand (participates in β ladder)trans-116.1133.8-178.7-178.3167.8175.900109.4L171 F172 L173 F263 P265 E269 F270L171-M200 HydrophobicContact CD1-CE 3.66Å; L171-M200 HydrophobicContact CD2-CE 3.22Å; L171-M200 HydrophobicContact CG-CE 3.97Å; F172-M200 CarbonylContact O-C 3.58Å; F172-M200 WeakPolarHBondContact O-CA 3.49Å; L173-M200 HydrophobicContact CD2-CB 3.71Å; L173-M200 HydrophobicContact CD2-CG 3.68Å; L173-M200 HydrophobicContact CD2-SD 3.99Å; M200-F263 HydrophobicContact CE-CE2 4.11Å; M200-F263 HydrophobicContact CE-CZ 4.39Å; M200-F263 HydrophobicContact SD-CE2 3.66Å; M200-F263 HydrophobicContact SD-CZ 3.88Å; M200-P265 HydrophobicContact CE-CB 4.01Å; M200-P265 HydrophobicContact CE-CG 4.25Å; M200-P265 HydrophobicContact SD-CB 4.41Å; M200-E269 CarbonylContact O-C 3.54Å; M200-E269 WeakPolarHBondContact O-CA 3.17Å; M200-F270 HydrophobicContact CB-CD1 4.29Å; M200-F270 HydrophobicContact CB-CE1 3.71Å; M200-F270 HydrophobicContact CB-CE2 4.48Å; M200-F270 HydrophobicContact CB-CZ 3.81Å; M200-F270 HydrophobicContact CG-CE1 3.73Å; M200-F270 HydrophobicContact CG-CZ 3.95Å; M200-F270 PolarHBondContact N-O 2.79Å; M200-F270 PolarHBondContact O-N 3.24Å; M200-F270 HydrophobicContact SD-CE1 3.95Å; M200-F270 HydrophobicContact SD-CZ 3.64Å
201K97.6Very high96.9Very high63 Ų6327.8 Ų27.827%0.27414%0.141SC..EExtended strand (participates in β ladder)trans-110116.2165.7-46.4-168.3-167.3-147.10108.4L171 F172 Y203 G268 E269L171-K201 WeakPolarHBondContact CA-O 3.38Å; F172-K201 HydrophobicContact CB-CB 4.13Å; F172-K201 HydrophobicContact CB-CG 4.45Å; F172-K201 HydrophobicContact CD2-CB 4.27Å; F172-K201 PolarHBondContact N-O 3.24Å; F172-K201 PolarHBondContact O-N 3.47Å; K201-Y203 HydrophobicContact CB-CE2 4.31Å; K201-G268 CarbonylContact C-O 3.58Å; K201-G268 VanDerWaalsContact CA-O 3.31Å; K201-G268 WeakPolarHBondContact CA-O 3.5Å; K201-E269 HydrophobicContact CD-CB 4.44Å; K201-E269 WeakPolarHBondContact CE-OE2 3.1Å; K201-E269 HydrophobicContact CG-CB 4.05Å; K201-E269 HydrophobicContact CG-CG 4.08Å; K201-E269 IonicContact NZ-OE2 3.34Å; K201-E269 PolarHBondContact NZ-OE2 2.96Å
202S97.2Very high96.7Very high0 Ų024.8 Ų24.80%012%0.12CC..EExtended strand (participates in β ladder)trans-111.2115-174.9-175.30000110.8L171 L204 P266 G268L171-S202 WeakPolarHBondContact CD2-OG 3.32Å; S202-L204 WeakPolarHBondContact OG-CG 3.35Å; S202-P266 WeakPolarHBondContact CB-O 3.19Å; S202-G268 PolarHBondContact N-O 3.12Å; S202-G268 PolarHBondContact O-N 2.87Å
203Y97.5Very high96.4Very high82 Ų8224.2 Ų24.232%0.32212%0.115SC..EExtended strand (participates in β ladder)trans-118.672170.9-55.9-61.7000107.9Y166 N169 E170 F172 K201Y166-Y203 AromaticContact CE1-CD1 3.75Å; Y166-Y203 HydrophobicContact CE1-CD1 3.75Å; Y166-Y203 HydrophobicContact CE1-CG 4.2Å; Y166-Y203 AromaticContact CZ-CD1 3.74Å; N169-Y203 CarbonylContact C-O 3.45Å; N169-Y203 VanDerWaalsContact CA-O 3.31Å; N169-Y203 WeakPolarHBondContact CA-O 3.17Å; E170-Y203 PolarHBondContact N-O 2.77Å; E170-Y203 PolarHBondContact O-N 3.05Å; F172-Y203 HydrophobicContact CD2-CD2 4.22Å; F172-Y203 HydrophobicContact CD2-CE2 4.17Å; F172-Y203 AromaticContact CE2-CD2 3.91Å; F172-Y203 HydrophobicContact CE2-CD2 3.91Å; F172-Y203 HydrophobicContact CE2-CE2 4.01Å; K201-Y203 HydrophobicContact CB-CE2 4.31Å
204L97.7Very high96.1Very high0 Ų022.5 Ų22.50%011%0.108CC..  trans-116.5144.2-175.4-62.9-178.1000110.8R160 I164 Y166 N169 L171 S202 P208 P265 V404 V416R160-L204 PolarHBondContact NH2-O 2.97Å; I164-L204 WeakPolarHBondContact CG2-O 3.44Å; Y166-L204 VanDerWaalsContact CD2-C 3.49Å; Y166-L204 WeakPolarHBondContact CD2-O 3.03Å; Y166-L204 WeakPolarHBondContact CE2-O 3.37Å; N169-L204 HydrophobicContact CB-CD2 3.79Å; L171-L204 HydrophobicContact CD1-CD1 4.14Å; L171-L204 HydrophobicContact CD2-CD1 3.67Å; L171-L204 HydrophobicContact CD2-CD2 4Å; L171-L204 HydrophobicContact CD2-CG 3.67Å; L171-L204 HydrophobicContact CG-CD1 4.11Å; L171-L204 HydrophobicContact CG-CD2 3.96Å; L171-L204 HydrophobicContact CG-CG 4.17Å; S202-L204 WeakPolarHBondContact OG-CG 3.35Å; L204-P208 HydrophobicContact CB-CG 3.73Å; L204-P208 HydrophobicContact CD1-CB 4.05Å; L204-P208 HydrophobicContact CD1-CG 3.44Å; L204-P208 VanDerWaalsContact CD1-CG 3.44Å; L204-P208 HydrophobicContact CG-CG 4.25Å; L204-P265 HydrophobicContact CD1-CG 4.14Å; L204-V404 HydrophobicContact CD1-CG1 3.93Å; L204-V416 HydrophobicContact CD2-CG1 3.7Å; L204-V416 HydrophobicContact CD2-CG2 4.11Å
205S97.3Very high95.7Very high7 Ų723 Ų235%0.04911%0.11CC..SBendtrans-82.4147.8175.4-520000111.2I164 Y166 N169 Y411I164-S205 CarbonylContact O-C 3.57Å; I164-S205 VanDerWaalsContact O-CA 3.26Å; I164-S205 WeakPolarHBondContact O-CA 3.47Å; Y166-S205 PolarHBondContact N-OG 2.91Å; Y166-S205 PolarHBondContact O-OG 3.38Å; N169-S205 WeakPolarHBondContact OD1-CB 3.31Å; N169-S205 PolarHBondContact OD1-N 3.32Å; N169-S205 PolarHBondContact OD1-OG 2.9Å; S205-Y411 PolarHBondContact N-OH 3Å; S205-Y411 VanDerWaalsContact O-CE1 3.27Å; S205-Y411 WeakPolarHBondContact O-CE1 3.31Å; S205-Y411 PolarHBondContact O-OH 2.84Å
206G95.2Very high95Very high9 Ų921.5 Ų21.59%0.09310%0.099CC..SBendtrans75.5-146.7176.200000114R160 I164 P208R160-G206 VanDerWaalsContact CZ-O 3.25Å; R160-G206 PolarHBondContact NE-O 3.23Å; R160-G206 PolarHBondContact NH2-O 2.96Å; I164-G206 PolarHBondContact O-N 2.76Å; G206-P208 WeakPolarHBondContact O-CD 3.26Å
207M94.8Very high93.9Very high28 Ų2825.3 Ų25.314%0.13812%0.115CC..SBendtrans-121.659-178.6-64.7-64.3-76.300111.4I157 R160 R161 E162 I264 E406I157-M207 HydrophobicContact CB-CE 4.24Å; I157-M207 HydrophobicContact CD1-CE 4.04Å; I157-M207 HydrophobicContact CG2-CE 3.72Å; R160-M207 HydrophobicContact CB-CE 4.08Å; R160-M207 HydrophobicContact CB-SD 4.08Å; R160-M207 VanDerWaalsContact CD-SD 3.54Å; R160-M207 HydrophobicContact CG-CE 4.27Å; R160-M207 HydrophobicContact CG-SD 3.62Å; R161-M207 VanDerWaalsContact O-SD 3.39Å; E162-M207 HydrophobicContact CG-CG 3.99Å; E162-M207 HydrophobicContact CG-SD 4.2Å; M207-I264 HydrophobicContact CE-CG2 4.34Å; M207-E406 VanDerWaalsContact CA-OE2 3.23Å; M207-E406 WeakPolarHBondContact CA-OE2 3.4Å; M207-E406 PolarHBondContact N-OE2 3.13Å
208P96.8Very high92.7Very high0 Ų025.4 Ų25.40%012%0.12CC..PPolyproline II helixtrans-67138.2-169.126.3-36.2000111.9L204 G206 P265 V404 F405 E406 Y411L204-P208 HydrophobicContact CB-CG 3.73Å; L204-P208 HydrophobicContact CD1-CB 4.05Å; L204-P208 HydrophobicContact CD1-CG 3.44Å; L204-P208 VanDerWaalsContact CD1-CG 3.44Å; L204-P208 HydrophobicContact CG-CG 4.25Å; G206-P208 WeakPolarHBondContact O-CD 3.26Å; P208-P265 HydrophobicContact CG-CG 4.47Å; P208-P265 WeakPolarHBondContact O-CD 3.11Å; P208-V404 HydrophobicContact CB-CG1 3.92Å; P208-F405 WeakPolarHBondContact CA-O 3.39Å; P208-E406 WeakPolarHBondContact CA-OE2 3.47Å; P208-E406 HydrophobicContact CB-CB 4.2Å; P208-Y411 WeakPolarHBondContact CB-OH 3.32Å
209E95.7Very high91.2Very high53 Ų5326.2 Ų26.225%0.24813%0.125CC..EExtended strand (participates in β ladder)trans-85.1122.4166.4-169.4174.4169.100109.3K254 S262 F405E209-K254 IonicContact OE1-NZ 3.08Å; E209-K254 PolarHBondContact OE1-NZ 2.85Å; E209-S262 PolarHBondContact OE1-OG 2.91Å; E209-F405 PolarHBondContact N-O 2.86Å; E209-F405 PolarHBondContact O-N 2.92Å
210C96.4Very high89.7Confident0 Ų027 Ų270%013%0.129CC..EExtended strand (participates in β ladder)trans-103.6146.1174.8-64.60000111S262 F263 K403C210-S262 WeakPolarHBondContact O-CA 3.32Å; C210-F263 HydrophobicContact CB-CD1 4.28Å; C210-F263 HydrophobicContact CB-CD2 4.11Å; C210-F263 HydrophobicContact CB-CE1 3.89Å; C210-F263 HydrophobicContact CB-CE2 3.71Å; C210-F263 HydrophobicContact CB-CG 4.38Å; C210-F263 HydrophobicContact CB-CZ 3.59Å; C210-F263 PolarHBondContact N-O 2.8Å; C210-F263 PolarHBondContact O-N 2.92Å; C210-K403 CarbonylContact C-O 3.6Å; C210-K403 WeakPolarHBondContact CA-O 3.49Å
211K94.2Very high88.3Confident80 Ų8032.4 Ų32.435%0.34815%0.154SC..EExtended strand (participates in β ladder)trans-125.9120.9167.9-59.6-171-179.8-172.60110.3I261 Y401 L402 K403K211-I261 CarbonylContact C-O 3.55Å; K211-I261 VanDerWaalsContact CA-O 3.32Å; K211-I261 WeakPolarHBondContact CA-O 3.49Å; K211-Y401 HydrophobicContact CB-CE2 4.37Å; K211-L402 CarbonylContact O-C 3.47Å; K211-L402 WeakPolarHBondContact O-CA 3.32Å; K211-K403 HydrophobicContact CB-CB 4.26Å; K211-K403 PolarHBondContact N-O 2.81Å; K211-K403 PolarHBondContact O-N 2.81Å
212F93.1Very high86.8Confident1 Ų135.8 Ų35.80%0.00417%0.169CC..EExtended strand (participates in β ladder)trans-106.6132.1178.6175.6-107.6000110.5L173 V198 M214 I261 F263 L272 M273 V399 L402L173-F212 HydrophobicContact CD1-CD2 4.17Å; L173-F212 HydrophobicContact CD1-CE2 3.95Å; V198-F212 HydrophobicContact CG1-CZ 4.47Å; V198-F212 HydrophobicContact CG2-CZ 4.37Å; F212-M214 HydrophobicContact CD1-CE 4.11Å; F212-M214 HydrophobicContact CE1-CB 4.34Å; F212-M214 HydrophobicContact CE1-CE 3.65Å; F212-M214 HydrophobicContact CE1-SD 4.49Å; F212-M214 HydrophobicContact CZ-CB 4.45Å; F212-I261 HydrophobicContact CB-CB 4.21Å; F212-I261 HydrophobicContact CB-CG2 4.34Å; F212-I261 HydrophobicContact CD1-CB 4.39Å; F212-I261 HydrophobicContact CD1-CD1 3.69Å; F212-I261 HydrophobicContact CE1-CD1 4.26Å; F212-I261 PolarHBondContact N-O 2.79Å; F212-I261 PolarHBondContact O-N 3.02Å; F212-F263 HydrophobicContact CB-CE1 3.76Å; F212-F263 HydrophobicContact CB-CZ 4.37Å; F212-L272 HydrophobicContact CB-CD2 4.38Å; F212-L272 HydrophobicContact CD1-CD2 4.34Å; F212-L272 HydrophobicContact CG-CD2 4.29Å; F212-M273 HydrophobicContact CD1-SD 4.4Å; F212-M273 HydrophobicContact CE1-SD 3.84Å; F212-V399 HydrophobicContact CD2-CG1 4.13Å; F212-V399 HydrophobicContact CE2-CB 4.13Å; F212-V399 HydrophobicContact CE2-CG1 3.6Å; F212-V399 HydrophobicContact CE2-CG2 3.61Å; F212-V399 HydrophobicContact CZ-CG2 3.97Å; F212-L402 HydrophobicContact CB-CD1 4.34Å; F212-L402 HydrophobicContact CD2-CD1 4.45Å
213G89.8Confident85.2Confident5 Ų541.1 Ų41.15%0.05219%0.194CC..EExtended strand (participates in β ladder)trans-128.5135.4177.500000111.5R400 Y401G213-R400 PolarHBondContact O-N 2.91Å; G213-Y401 PolarHBondContact N-O 2.88Å; G213-Y401 PolarHBondContact O-N 2.83Å
214M90.5Very high83.3Confident13 Ų1339.5 Ų39.56%0.06420%0.202CC..EExtended strand (participates in β ladder)trans-123.1168.5176.674.6-164.692.200111.3F212 D216 I241 I261 M273 L397 K398 R400F212-M214 HydrophobicContact CD1-CE 4.11Å; F212-M214 HydrophobicContact CE1-CB 4.34Å; F212-M214 HydrophobicContact CE1-CE 3.65Å; F212-M214 HydrophobicContact CE1-SD 4.49Å; F212-M214 HydrophobicContact CZ-CB 4.45Å; M214-D216 HydrophobicContact CG-CB 3.94Å; M214-D216 PolarHBondContact O-N 2.93Å; M214-I241 HydrophobicContact CG-CD1 4.46Å; M214-I241 HydrophobicContact SD-CD1 3.42Å; M214-I241 WeakPolarHBondContact SD-CD1 3.09Å; M214-I261 HydrophobicContact CE-CD1 3.17Å; M214-M273 HydrophobicContact CE-CE 3.81Å; M214-M273 HydrophobicContact CE-SD 3.62Å; M214-M273 HydrophobicContact SD-CE 4.27Å; M214-M273 HydrophobicContact SD-SD 4.45Å; M214-L397 HydrophobicContact CB-CD1 4.47Å; M214-L397 HydrophobicContact SD-CD1 3.7Å; M214-K398 WeakPolarHBondContact CA-O 3.5Å; M214-R400 WeakPolarHBondContact O-CD 3.49Å
215N89.5Confident81.2Confident9 Ų949 Ų495%0.04824%0.244CC..  trans-76.341.2176.864.3-32.1000113.6K217 I220 Q237 S238 I239 G396 L397 K398 R400N215-K217 PolarHBondContact O-N 3.1Å; N215-I220 HydrophobicContact CB-CD1 3.85Å; N215-I220 WeakPolarHBondContact O-CD1 3.47Å; N215-Q237 PolarHBondContact ND2-O 3.37Å; N215-S238 CarbonylContact O-C 3.6Å; N215-S238 VanDerWaalsContact O-CA 3.23Å; N215-S238 WeakPolarHBondContact O-CA 3.29Å; N215-I239 WeakPolarHBondContact O-CG2 3.43Å; N215-I239 PolarHBondContact O-N 2.94Å; N215-G396 PolarHBondContact ND2-O 2.79Å; N215-L397 WeakPolarHBondContact OD1-CA 3.37Å; N215-K398 PolarHBondContact N-O 3.42Å; N215-K398 VanDerWaalsContact N-O 3.12Å; N215-K398 PolarHBondContact OD1-N 3.08Å; N215-K398 PolarHBondContact OD1-O 2.84Å; N215-R400 HydrophobicContact CB-CG 4.28Å
216D81.6Confident78.8Confident11 Ų1151.8 Ų51.86%0.05927%0.274CS..BIsolated β-bridgetrans-63131.5175.4177.917.3000110.4M214 I218 V219 I220 I241M214-D216 HydrophobicContact CG-CB 3.94Å; M214-D216 PolarHBondContact O-N 2.93Å; D216-I218 VanDerWaalsContact C-N 3.26Å; D216-I218 PolarHBondContact O-N 2.82Å; D216-I218 PolarHBondContact OD1-N 3.49Å; D216-V219 HydrophobicContact CB-CB 4.36Å; D216-V219 HydrophobicContact CB-CG2 3.96Å; D216-V219 WeakPolarHBondContact O-CB 3.34Å; D216-V219 PolarHBondContact O-N 2.91Å; D216-V219 VanDerWaalsContact O-N 3.14Å; D216-I220 WeakPolarHBondContact O-CG1 3.26Å; D216-I220 PolarHBondContact O-N 2.96Å; D216-I241 HydrophobicContact CB-CD1 4.4Å
217K75.3Confident76.3Confident83 Ų8357 Ų5736%0.36130%0.304SS..Hα-helixtrans-54.9-42.4-178.4-176.3169.4-179178.70112N215 V219 I220 E221 S238 I239N215-K217 PolarHBondContact O-N 3.1Å; K217-V219 VanDerWaalsContact C-N 3.33Å; K217-V219 PolarHBondContact O-N 2.88Å; K217-I220 PolarHBondContact O-N 2.84Å; K217-E221 WeakPolarHBondContact CE-OE1 3.43Å; K217-E221 HydrophobicContact CG-CG 4.32Å; K217-E221 WeakPolarHBondContact CG-OE1 3.36Å; K217-E221 WeakPolarHBondContact O-CB 3.2Å; K217-E221 WeakPolarHBondContact O-CG 3.48Å; K217-E221 PolarHBondContact O-N 2.88Å; K217-S238 WeakPolarHBondContact CG-OG 3.34Å; K217-I239 WeakPolarHBondContact CB-O 3.25Å; K217-I239 PolarHBondContact N-O 3.41Å
218I72.2Confident73.5Confident76 Ų7660.7 Ų60.739%0.3934%0.339SS..Hα-helixtrans-64.3-40.6-178.9-59174000110.8D216 K222 R259D216-I218 VanDerWaalsContact C-N 3.26Å; D216-I218 PolarHBondContact O-N 2.82Å; D216-I218 PolarHBondContact OD1-N 3.49Å; I218-K222 PolarHBondContact O-N 2.81Å; I218-R259 HydrophobicContact CG2-CG 4.49Å
219V67.6Low70.7Confident17 Ų1767.4 Ų67.410%0.10337%0.374CS..Hα-helixtrans-66.7-44.5177.31790000110.9D216 K217 Q223 R259D216-V219 HydrophobicContact CB-CB 4.36Å; D216-V219 HydrophobicContact CB-CG2 3.96Å; D216-V219 WeakPolarHBondContact O-CB 3.34Å; D216-V219 PolarHBondContact O-N 2.91Å; D216-V219 VanDerWaalsContact O-N 3.14Å; K217-V219 VanDerWaalsContact C-N 3.33Å; K217-V219 PolarHBondContact O-N 2.88Å; V219-Q223 PolarHBondContact O-N 2.83Å; V219-R259 HydrophobicContact CG2-CB 3.47Å; V219-R259 VanDerWaalsContact CG2-CB 3.47Å; V219-R259 HydrophobicContact CG2-CG 4.36Å
220I66.1Low67.8Low30 Ų3073.9 Ų73.915%0.15441%0.405CS..Hα-helixtrans-67.8-42.4-176.9-68.5169.9000110.8N215 D216 K217 Q223 G224N215-I220 HydrophobicContact CB-CD1 3.85Å; N215-I220 WeakPolarHBondContact O-CD1 3.47Å; D216-I220 WeakPolarHBondContact O-CG1 3.26Å; D216-I220 PolarHBondContact O-N 2.96Å; K217-I220 PolarHBondContact O-N 2.84Å; I220-Q223 PolarHBondContact O-N 2.88Å; I220-G224 PolarHBondContact O-N 2.83Å
221E68.8Low64.9Low114 Ų11480.1 Ų80.153%0.53344%0.443SS..Hα-helixtrans-65.5-39.1179-74.2177.9178.600112.3K217 Q223 G224K217-E221 WeakPolarHBondContact CE-OE1 3.43Å; K217-E221 HydrophobicContact CG-CG 4.32Å; K217-E221 WeakPolarHBondContact CG-OE1 3.36Å; K217-E221 WeakPolarHBondContact O-CB 3.2Å; K217-E221 WeakPolarHBondContact O-CG 3.48Å; K217-E221 PolarHBondContact O-N 2.88Å; E221-Q223 PolarHBondContact O-N 2.78Å; E221-G224 PolarHBondContact O-N 2.88Å
222K66.2Low62Low133 Ų13379.3 Ų79.358%0.57846%0.458SS*.Hα-helixtrans-63.9-38.1174.5-78.7-173.1176.4-173.80112.7I218I218-K222 PolarHBondContact O-N 2.81Å
223Q63.3Low59.2Low112 Ų11289.7 Ų89.752%0.52350%0.503SS..Hα-helixtrans-75.8-26.4177.5-72.2179.4-4.900113V219 I220 E221 K225V219-Q223 PolarHBondContact O-N 2.83Å; I220-Q223 PolarHBondContact O-N 2.88Å; E221-Q223 PolarHBondContact O-N 2.78Å; Q223-K225 VanDerWaalsContact C-N 3.35Å; Q223-K225 PolarHBondContact O-N 2.95Å
224G57.5Low56.8Low49 Ų4994.4 Ų94.451%0.50554%0.535SS..Hα-helixtrans-77.1-10.6-176.300000115.8I220 E221 G226I220-G224 PolarHBondContact O-N 2.83Å; E221-G224 PolarHBondContact O-N 2.88Å; G224-G226 PolarHBondContact O-N 2.82Å
225K53Low54.6Low199 Ų19997.1 Ų97.187%0.86557%0.566SS**THydrogen-bonded Turntrans-74.8-0.4179.5-78.3-171.2173.7-174.90114.9Q223Q223-K225 VanDerWaalsContact C-N 3.35Å; Q223-K225 PolarHBondContact O-N 2.95Å
226G47.2Very low52.9Low66 Ų66105.3 Ų105.368%0.6860%0.601SS**THydrogen-bonded Turntrans-99.5-11.3-173.500000117.2G224G224-G226 PolarHBondContact O-N 2.82Å
227T42.2Very low52Low118 Ų118111 Ų11172%0.72463%0.627SS**  trans-146.2102.9-17851.70000110.2D229T227-D229 PolarHBondContact O-N 2.8Å; T227-D229 VanDerWaalsContact O-N 3.13Å
228A35.9Very low52.2Low106 Ų106108.8 Ų108.888%0.87662%0.622SS**  trans-71.494.4164.900000108.4
229D39Very low52.8Low140 Ų140105.3 Ų105.375%0.74961%0.605SS**  trans-133.8107.1161.9-113.4-22000108.1T227 T231T227-D229 PolarHBondContact O-N 2.8Å; T227-D229 VanDerWaalsContact O-N 3.13Å; D229-T231 VanDerWaalsContact C-N 3.25Å; D229-T231 PolarHBondContact O-N 3.16Å
230E34.8Very low53.6Low189 Ų189105.5 Ų105.588%0.88361%0.608SS**  trans-8010.7-171.3-76.4-158.3131.100114.6
231T34.5Very low54.7Low132 Ų132105.6 Ų105.681%0.8161%0.608SS**  trans-113.166.9-16849.90000112.5D229D229-T231 VanDerWaalsContact C-N 3.25Å; D229-T231 PolarHBondContact O-N 3.16Å
232G34.8Very low55.8Low63 Ų63103 Ų10365%0.64960%0.598SS**  trans176.957.8174.300000116.1S234G232-S234 PolarHBondContact O-N 2.63Å
233K33.8Very low57Low219 Ų21999.7 Ų99.795%0.95259%0.587SS**  trans-68.656.7172.8-74179.9177.7170.30113.1
234S39Very low58.3Low104 Ų10496.3 Ų96.373%0.72758%0.575SS**SBendtrans-99.896153.764.30000106.9G232 K236G232-S234 PolarHBondContact O-N 2.63Å; S234-K236 PolarHBondContact O-N 2.68Å
235G44.7Very low60.1Low69 Ų6997.8 Ų97.871%0.71157%0.574SS**  trans-47.4111.8-169.600000112.1Q237G235-Q237 PolarHBondContact O-N 2.85Å
236K52.9Low62.1Low182 Ų18290.3 Ų90.379%0.79154%0.542SS*.  trans-60.890.9167.1-80.8177.2179.5168.70106.7S234 S238S234-K236 PolarHBondContact O-N 2.68Å; K236-S238 VanDerWaalsContact C-N 3.34Å; K236-S238 PolarHBondContact O-N 3.14Å
237Q63.9Low64.3Low129 Ų12989.5 Ų89.560%0.60352%0.52SS*.  trans-57.399.8176.2-78.2176.1-22.800107.4N215 G235N215-Q237 PolarHBondContact ND2-O 3.37Å; G235-Q237 PolarHBondContact O-N 2.85Å
238S78Confident66.7Low37 Ų3789.2 Ų89.226%0.25951%0.511SS..  trans-96.2145173.557.80000108.5N215 K217 K236N215-S238 CarbonylContact O-C 3.6Å; N215-S238 VanDerWaalsContact O-CA 3.23Å; N215-S238 WeakPolarHBondContact O-CA 3.29Å; K217-S238 WeakPolarHBondContact CG-OG 3.34Å; K236-S238 VanDerWaalsContact C-N 3.34Å; K236-S238 PolarHBondContact O-N 3.14Å
239I85.2Confident69.4Low4 Ų484.3 Ų84.32%0.02147%0.47CS..BIsolated β-bridgetrans-92.6133.1175.5179.8174.9000109.1N215 K217 I241 Y275 T277 S395 L397N215-I239 WeakPolarHBondContact O-CG2 3.43Å; N215-I239 PolarHBondContact O-N 2.94Å; K217-I239 WeakPolarHBondContact CB-O 3.25Å; K217-I239 PolarHBondContact N-O 3.41Å; I239-I241 HydrophobicContact CD1-CG1 3.96Å; I239-I241 HydrophobicContact CG1-CG1 3.96Å; I239-I241 HydrophobicContact CG2-CD1 4.22Å; I239-I241 HydrophobicContact CG2-CG1 4.07Å; I239-Y275 HydrophobicContact CD1-CE2 4.35Å; I239-T277 WeakPolarHBondContact CD1-OG1 3.42Å; I239-T277 HydrophobicContact CG1-CG2 4.29Å; I239-S395 VanDerWaalsContact CD1-CB 3.49Å; I239-S395 VanDerWaalsContact CD1-OG 3.3Å; I239-S395 WeakPolarHBondContact CD1-OG 3.47Å; I239-L397 HydrophobicContact CD1-CB 3.88Å; I239-L397 HydrophobicContact CD1-CD1 4.24Å
240A84.6Confident72.1Confident21 Ų2178.1 Ų78.117%0.17444%0.437CS..  trans-87.4102.6165.200000108.6T277 K279A240-T277 WeakPolarHBondContact O-CB 3.36Å; A240-T277 WeakPolarHBondContact O-CG2 3.42Å; A240-T277 PolarHBondContact O-OG1 3.49Å; A240-K279 HydrophobicContact CB-CB 4.4Å
241I89.7Confident74.8Confident31 Ų3173.8 Ų73.816%0.15941%0.413CS..  trans-84.5121.7174.9-62.4175.2000107.7M214 D216 I239 D243 C244 L397M214-I241 HydrophobicContact CG-CD1 4.46Å; M214-I241 HydrophobicContact SD-CD1 3.42Å; M214-I241 WeakPolarHBondContact SD-CD1 3.09Å; D216-I241 HydrophobicContact CB-CD1 4.4Å; I239-I241 HydrophobicContact CD1-CG1 3.96Å; I239-I241 HydrophobicContact CG1-CG1 3.96Å; I239-I241 HydrophobicContact CG2-CD1 4.22Å; I239-I241 HydrophobicContact CG2-CG1 4.07Å; I241-D243 VanDerWaalsContact CG2-O 3.22Å; I241-D243 WeakPolarHBondContact CG2-O 3.46Å; I241-C244 HydrophobicContact CG2-CB 4.16Å; I241-L397 HydrophobicContact CD1-CD1 4.49Å
242D91.2Very high77.4Confident59 Ų5972 Ų7232%0.31640%0.398SS..SBendtrans-77.5-45.2-179.6-62.1-33000110.9R276 T277 T278D242-R276 WeakPolarHBondContact CB-O 3.42Å; D242-R276 PolarHBondContact N-O 2.96Å; D242-R276 IonicContact OD2-NH1 3.32Å; D242-T277 WeakPolarHBondContact OD2-CA 3.41Å; D242-T278 PolarHBondContact OD1-OG1 3.24Å; D242-T278 WeakPolarHBondContact OD2-CB 3.12Å; D242-T278 WeakPolarHBondContact OD2-CG2 3.3Å; D242-T278 PolarHBondContact OD2-N 3.34Å; D242-T278 PolarHBondContact OD2-OG1 3.46Å
243D90.9Very high79.8Confident65 Ų6573.5 Ų73.535%0.34840%0.398SS..EExtended strand (participates in β ladder)trans-147.2153.1174.658.670.2000110.6I241 Y275 R276I241-D243 VanDerWaalsContact CG2-O 3.22Å; I241-D243 WeakPolarHBondContact CG2-O 3.46Å; D243-Y275 CarbonylContact O-C 3.54Å; D243-Y275 VanDerWaalsContact O-CA 3.25Å; D243-Y275 WeakPolarHBondContact O-CA 3.23Å; D243-R276 PolarHBondContact O-N 3.27Å; D243-R276 WeakPolarHBondContact OD1-CB 2.86Å; D243-R276 IonicContact OD1-NE 3.1Å; D243-R276 IonicContact OD2-CZ 3.28Å; D243-R276 IonicContact OD2-NE 3.27Å; D243-R276 PolarHBondContact OD2-NE 3.3Å; D243-R276 IonicContact OD2-NH2 3.76Å; D243-R276 PolarHBondContact OD2-NH2 3.21Å
244C92.3Very high82Confident41 Ų4165.7 Ų65.728%0.27736%0.364SS..EExtended strand (participates in β ladder)trans-140.9147.9173.556.60000110.3I241 F246 M273 R274I241-C244 HydrophobicContact CG2-CB 4.16Å; C244-F246 HydrophobicContact CB-CE2 4.24Å; C244-F246 HydrophobicContact CB-CZ 4.06Å; C244-F246 VanDerWaalsContact SG-CE2 3.5Å; C244-F246 VanDerWaalsContact SG-CZ 3.57Å; C244-M273 HydrophobicContact CB-CE 4.11Å; C244-R274 CarbonylContact C-O 3.42Å; C244-R274 VanDerWaalsContact CA-O 3.25Å; C244-R274 WeakPolarHBondContact CA-O 3.22Å
245T94.1Very high84Confident79 Ų7961.6 Ų61.649%0.48533%0.334SS..EExtended strand (participates in β ladder)trans-128.4145174550000107.4M273 R274T245-M273 CarbonylContact O-C 3.57Å; T245-M273 WeakPolarHBondContact O-CA 3.44Å; T245-M273 WeakPolarHBondContact O-CB 3.49Å; T245-R274 PolarHBondContact N-O 3.24Å; T245-R274 PolarHBondContact O-N 3.31Å; T245-R274 WeakPolarHBondContact OG1-CB 3.02Å; T245-R274 PolarHBondContact OG1-O 2.64Å
246F94.9Very high85.5Confident42 Ų4263.3 Ų63.318%0.18433%0.326CS..EExtended strand (participates in β ladder)trans-123152.8-172.7-64-74.1000110.7C244 V250 L252 F255 I261 M273C244-F246 HydrophobicContact CB-CE2 4.24Å; C244-F246 HydrophobicContact CB-CZ 4.06Å; C244-F246 VanDerWaalsContact SG-CE2 3.5Å; C244-F246 VanDerWaalsContact SG-CZ 3.57Å; F246-V250 HydrophobicContact CB-CB 3.83Å; F246-V250 HydrophobicContact CB-CG1 4.2Å; F246-V250 HydrophobicContact CB-CG2 3.88Å; F246-V250 HydrophobicContact CD1-CB 4.46Å; F246-V250 HydrophobicContact CD1-CG1 4.19Å; F246-V250 HydrophobicContact CD1-CG2 4.07Å; F246-V250 HydrophobicContact CG-CB 4.24Å; F246-V250 HydrophobicContact CG-CG1 4.09Å; F246-V250 HydrophobicContact CG-CG2 4.27Å; F246-L252 HydrophobicContact CB-CD2 4.17Å; F246-L252 HydrophobicContact CD2-CD2 3.57Å; F246-L252 HydrophobicContact CE2-CD2 4.38Å; F246-L252 HydrophobicContact CG-CD2 4.18Å; F246-F255 AromaticContact CE2-CD1 3.9Å; F246-F255 HydrophobicContact CE2-CD1 3.9Å; F246-F255 HydrophobicContact CE2-CD2 4.47Å; F246-F255 AromaticContact CE2-CE1 3.79Å; F246-F255 HydrophobicContact CE2-CE1 3.79Å; F246-F255 HydrophobicContact CE2-CE2 4.39Å; F246-F255 HydrophobicContact CE2-CG 4.23Å; F246-F255 HydrophobicContact CE2-CZ 4.05Å; F246-F255 HydrophobicContact CZ-CD1 4.28Å; F246-F255 HydrophobicContact CZ-CD2 4.1Å; F246-F255 AromaticContact CZ-CE1 3.99Å; F246-F255 HydrophobicContact CZ-CE1 3.99Å; F246-F255 AromaticContact CZ-CE2 3.81Å; F246-F255 HydrophobicContact CZ-CE2 3.81Å; F246-F255 HydrophobicContact CZ-CG 4.32Å; F246-F255 AromaticContact CZ-CZ 3.75Å; F246-F255 HydrophobicContact CZ-CZ 3.75Å; F246-I261 HydrophobicContact CD1-CD1 4.49Å; F246-I261 HydrophobicContact CE1-CD1 3.51Å; F246-I261 HydrophobicContact CE1-CG1 3.78Å; F246-I261 HydrophobicContact CE1-CG2 4.45Å; F246-I261 HydrophobicContact CZ-CD1 4.06Å; F246-I261 HydrophobicContact CZ-CG1 4.17Å; F246-M273 HydrophobicContact CD1-CB 3.62Å; F246-M273 HydrophobicContact CE1-CB 3.87Å; F246-M273 HydrophobicContact CE1-CE 3.93Å; F246-M273 HydrophobicContact CE1-SD 4.05Å; F246-M273 HydrophobicContact CZ-CE 4.42Å
247H94.2Very high86.5Confident49 Ų4958.2 Ų58.223%0.22731%0.313CS..  trans-61150162.8-165.4-96000110.1C249 V250 E271 L272H247-C249 PolarHBondContact ND1-N 2.83Å; H247-C249 PolarHBondContact ND1-SG 2.9Å; H247-C249 PolarHBondContact O-N 2.8Å; H247-V250 WeakPolarHBondContact O-CB 3.49Å; H247-V250 PolarHBondContact O-N 2.82Å; H247-E271 WeakPolarHBondContact CB-O 3.42Å; H247-L272 PolarHBondContact N-O 2.97Å
248Q92Very high86.9Confident112 Ų11257.7 Ų57.752%0.52331%0.311SS..THydrogen-bonded Turntrans-60.2-15.1179.465.417411.200114.4E125 W159 V250E125-Q248 PolarHBondContact OE1-NE2 2.82Å; W159-Q248 HydrophobicContact CE3-CG 3.75Å; W159-Q248 WeakPolarHBondContact CH2-O 3.3Å; W159-Q248 HydrophobicContact CZ3-CB 4.5Å; W159-Q248 HydrophobicContact CZ3-CG 3.94Å; Q248-V250 PolarHBondContact O-N 2.95Å
249C94Very high86.7Confident3 Ų359.2 Ų59.22%0.0231%0.311CS..THydrogen-bonded Turntrans-69.7-15.417567.30000114W159 H247 F263 I264W159-C249 HydrophobicContact CD2-CB 4.02Å; W159-C249 VanDerWaalsContact CE2-CB 3.43Å; W159-C249 HydrophobicContact CG-CB 4.29Å; W159-C249 VanDerWaalsContact CZ2-CA 3.41Å; W159-C249 HydrophobicContact CZ2-CB 3.81Å; W159-C249 VanDerWaalsContact NE1-CB 3.3Å; H247-C249 PolarHBondContact ND1-N 2.83Å; H247-C249 PolarHBondContact ND1-SG 2.9Å; H247-C249 PolarHBondContact O-N 2.8Å; C249-F263 HydrophobicContact CB-CB 4.31Å; C249-F263 VanDerWaalsContact O-CA 3.22Å; C249-F263 WeakPolarHBondContact O-CA 3.45Å; C249-F263 WeakPolarHBondContact O-CB 3.38Å; C249-I264 WeakPolarHBondContact CB-O 3.4Å
250V95Very high86.4Confident10 Ų1059.5 Ų59.56%0.06131%0.313CS..BIsolated β-bridgetrans-82.3129.3179.9178.80000110.8F246 H247 Q248 L252 I261 F263 L272F246-V250 HydrophobicContact CB-CB 3.83Å; F246-V250 HydrophobicContact CB-CG1 4.2Å; F246-V250 HydrophobicContact CB-CG2 3.88Å; F246-V250 HydrophobicContact CD1-CB 4.46Å; F246-V250 HydrophobicContact CD1-CG1 4.19Å; F246-V250 HydrophobicContact CD1-CG2 4.07Å; F246-V250 HydrophobicContact CG-CB 4.24Å; F246-V250 HydrophobicContact CG-CG1 4.09Å; F246-V250 HydrophobicContact CG-CG2 4.27Å; H247-V250 WeakPolarHBondContact O-CB 3.49Å; H247-V250 PolarHBondContact O-N 2.82Å; Q248-V250 PolarHBondContact O-N 2.95Å; V250-L252 HydrophobicContact CG1-CD2 4.36Å; V250-L252 PolarHBondContact O-N 3.03Å; V250-I261 HydrophobicContact CG1-CG2 3.89Å; V250-I261 HydrophobicContact CG2-CG2 3.84Å; V250-F263 HydrophobicContact CG2-CB 4.12Å; V250-L272 HydrophobicContact CG2-CD1 3.82Å
251R91.9Very high86.8Confident99 Ų9958.6 Ų58.637%0.37431%0.305SS..  trans-78.389.4174.4-61-175.8-174.2175.312110.1S253 K254 F255 S262R251-S253 VanDerWaalsContact C-N 3.25Å; R251-S253 PolarHBondContact O-N 2.83Å; R251-K254 HydrophobicContact CB-CB 4.46Å; R251-K254 HydrophobicContact CB-CD 4.4Å; R251-K254 HydrophobicContact CB-CG 4.37Å; R251-K254 PolarHBondContact O-N 3.5Å; R251-K254 VanDerWaalsContact O-N 3.08Å; R251-F255 PolarHBondContact O-N 2.82Å; R251-S262 PolarHBondContact N-O 2.89Å
252L88.8Confident87Confident95 Ų9557.1 Ų57.150%0.49730%0.298SS..Hα-helixtrans-56-36.4-176.6-63.5179.4000113.4F246 V250 K254 F255 D256F246-L252 HydrophobicContact CB-CD2 4.17Å; F246-L252 HydrophobicContact CD2-CD2 3.57Å; F246-L252 HydrophobicContact CE2-CD2 4.38Å; F246-L252 HydrophobicContact CG-CD2 4.18Å; V250-L252 HydrophobicContact CG1-CD2 4.36Å; V250-L252 PolarHBondContact O-N 3.03Å; L252-K254 VanDerWaalsContact C-N 3.28Å; L252-K254 PolarHBondContact O-N 3.46Å; L252-F255 WeakPolarHBondContact O-CA 3.4Å; L252-F255 WeakPolarHBondContact O-CB 3.49Å; L252-F255 PolarHBondContact O-N 2.86Å; L252-D256 PolarHBondContact O-N 3.4Å
253S85.2Confident87.2Confident94 Ų9454.3 Ų54.366%0.65728%0.283SS*.Hα-helixtrans-58.9-36.4177.254.40000113.6R251 S257R251-S253 VanDerWaalsContact C-N 3.25Å; R251-S253 PolarHBondContact O-N 2.83Å; S253-S257 PolarHBondContact O-OG 2.81Å
254K79.6Confident87.5Confident54 Ų5452 Ų5224%0.23527%0.27CS..Hα-helixtrans-74.8-31.9173.6-68.8-172.7178.4-179.30112.1E209 R251 L252 S257 E258E209-K254 IonicContact OE1-NZ 3.08Å; E209-K254 PolarHBondContact OE1-NZ 2.85Å; R251-K254 HydrophobicContact CB-CB 4.46Å; R251-K254 HydrophobicContact CB-CD 4.4Å; R251-K254 HydrophobicContact CB-CG 4.37Å; R251-K254 PolarHBondContact O-N 3.5Å; R251-K254 VanDerWaalsContact O-N 3.08Å; L252-K254 VanDerWaalsContact C-N 3.28Å; L252-K254 PolarHBondContact O-N 3.46Å; K254-S257 PolarHBondContact O-OG 3.48Å; K254-E258 WeakPolarHBondContact O-CB 3.38Å; K254-E258 PolarHBondContact O-N 3.31Å
255F81.5Confident87.7Confident19 Ų1950 Ų508%0.08326%0.257CS..Hα-helixtrans-67.8-38.2177.4178.5-102.3000111.8F246 R251 L252 R259 I261F246-F255 AromaticContact CE2-CD1 3.9Å; F246-F255 HydrophobicContact CE2-CD1 3.9Å; F246-F255 HydrophobicContact CE2-CD2 4.47Å; F246-F255 AromaticContact CE2-CE1 3.79Å; F246-F255 HydrophobicContact CE2-CE1 3.79Å; F246-F255 HydrophobicContact CE2-CE2 4.39Å; F246-F255 HydrophobicContact CE2-CG 4.23Å; F246-F255 HydrophobicContact CE2-CZ 4.05Å; F246-F255 HydrophobicContact CZ-CD1 4.28Å; F246-F255 HydrophobicContact CZ-CD2 4.1Å; F246-F255 AromaticContact CZ-CE1 3.99Å; F246-F255 HydrophobicContact CZ-CE1 3.99Å; F246-F255 AromaticContact CZ-CE2 3.81Å; F246-F255 HydrophobicContact CZ-CE2 3.81Å; F246-F255 HydrophobicContact CZ-CG 4.32Å; F246-F255 AromaticContact CZ-CZ 3.75Å; F246-F255 HydrophobicContact CZ-CZ 3.75Å; R251-F255 PolarHBondContact O-N 2.82Å; L252-F255 WeakPolarHBondContact O-CA 3.4Å; L252-F255 WeakPolarHBondContact O-CB 3.49Å; L252-F255 PolarHBondContact O-N 2.86Å; F255-R259 VanDerWaalsContact CE1-NH1 3.3Å; F255-R259 WeakPolarHBondContact O-CA 3.33Å; F255-R259 WeakPolarHBondContact O-CD 3.43Å; F255-R259 PolarHBondContact O-N 3.05Å; F255-I261 HydrophobicContact CD2-CG1 3.67Å; F255-I261 HydrophobicContact CE2-CD1 4.32Å; F255-I261 HydrophobicContact CE2-CG1 3.95Å
256D74.5Confident87.7Confident104 Ų10446.9 Ų46.956%0.55624%0.238SC*.Hα-helixtrans-70.1-37.1179.8-72.9-31.1000113L252 R259L252-D256 PolarHBondContact O-N 3.4Å; D256-R259 IonicContact OD1-NH1 3.92Å; D256-R259 PolarHBondContact OD1-NH1 3.46Å
257S74.5Confident87.7Confident75 Ų7547.8 Ų47.852%0.52425%0.245SC..Hα-helixtrans-78.7-55.1178.356.70000112.8S253 K254S253-S257 PolarHBondContact O-OG 2.81Å; K254-S257 PolarHBondContact O-OG 3.48Å
258E73.3Confident87.7Confident118 Ų11846 Ų4655%0.55124%0.24SC*.Hα-helixtrans-98.9-12.3-169.4-62.1172.3-15900113K254 S260K254-E258 WeakPolarHBondContact O-CB 3.38Å; K254-E258 PolarHBondContact O-N 3.31Å; E258-S260 PolarHBondContact O-N 3.12Å; E258-S260 VanDerWaalsContact O-N 3.13Å
259R73.9Confident87.9Confident70 Ų7046.7 Ų46.726%0.26424%0.243SC..  trans51.429.5-168.1-63.6-74.2-174.3-1371.9112.6I218 V219 F255 D256I218-R259 HydrophobicContact CG2-CG 4.49Å; V219-R259 HydrophobicContact CG2-CB 3.47Å; V219-R259 VanDerWaalsContact CG2-CB 3.47Å; V219-R259 HydrophobicContact CG2-CG 4.36Å; F255-R259 VanDerWaalsContact CE1-NH1 3.3Å; F255-R259 WeakPolarHBondContact O-CA 3.33Å; F255-R259 WeakPolarHBondContact O-CD 3.43Å; F255-R259 PolarHBondContact O-N 3.05Å; D256-R259 IonicContact OD1-NH1 3.92Å; D256-R259 PolarHBondContact OD1-NH1 3.46Å
260S78.7Confident87.9Confident9 Ų947.4 Ų47.46%0.06325%0.246CC..  trans-103.8130.7173.8-168.80000109.6E258 S262E258-S260 PolarHBondContact O-N 3.12Å; E258-S260 VanDerWaalsContact O-N 3.13Å; S260-S262 PolarHBondContact O-N 2.53Å
261I91.9Very high88Confident2 Ų249.8 Ų49.81%0.0126%0.257CS..EExtended strand (participates in β ladder)trans-9096.2178-63.7160.8000107.2K211 F212 M214 F246 V250 F255 F263 M273K211-I261 CarbonylContact C-O 3.55Å; K211-I261 VanDerWaalsContact CA-O 3.32Å; K211-I261 WeakPolarHBondContact CA-O 3.49Å; F212-I261 HydrophobicContact CB-CB 4.21Å; F212-I261 HydrophobicContact CB-CG2 4.34Å; F212-I261 HydrophobicContact CD1-CB 4.39Å; F212-I261 HydrophobicContact CD1-CD1 3.69Å; F212-I261 HydrophobicContact CE1-CD1 4.26Å; F212-I261 PolarHBondContact N-O 2.79Å; F212-I261 PolarHBondContact O-N 3.02Å; M214-I261 HydrophobicContact CE-CD1 3.17Å; F246-I261 HydrophobicContact CD1-CD1 4.49Å; F246-I261 HydrophobicContact CE1-CD1 3.51Å; F246-I261 HydrophobicContact CE1-CG1 3.78Å; F246-I261 HydrophobicContact CE1-CG2 4.45Å; F246-I261 HydrophobicContact CZ-CD1 4.06Å; F246-I261 HydrophobicContact CZ-CG1 4.17Å; V250-I261 HydrophobicContact CG1-CG2 3.89Å; V250-I261 HydrophobicContact CG2-CG2 3.84Å; F255-I261 HydrophobicContact CD2-CG1 3.67Å; F255-I261 HydrophobicContact CE2-CD1 4.32Å; F255-I261 HydrophobicContact CE2-CG1 3.95Å; I261-F263 HydrophobicContact CG2-CD1 3.84Å; I261-F263 HydrophobicContact CG2-CE1 4.08Å; I261-F263 WeakPolarHBondContact O-CD1 3.32Å; I261-M273 HydrophobicContact CD1-SD 3.98Å
262S94.6Very high88.2Confident1 Ų145 Ų451%0.00724%0.239CC..EExtended strand (participates in β ladder)trans-102.6129.2177.5160.30000109.8E209 C210 R251 S260E209-S262 PolarHBondContact OE1-OG 2.91Å; C210-S262 WeakPolarHBondContact O-CA 3.32Å; R251-S262 PolarHBondContact N-O 2.89Å; S260-S262 PolarHBondContact O-N 2.53Å
263F96.3Very high88.6Confident0 Ų040.6 Ų40.60%022%0.216CC..EExtended strand (participates in β ladder)trans-158.5160.3-173.659.8-77.7000112.2M200 C210 F212 C249 V250 I261 P265 F270 L272M200-F263 HydrophobicContact CE-CE2 4.11Å; M200-F263 HydrophobicContact CE-CZ 4.39Å; M200-F263 HydrophobicContact SD-CE2 3.66Å; M200-F263 HydrophobicContact SD-CZ 3.88Å; C210-F263 HydrophobicContact CB-CD1 4.28Å; C210-F263 HydrophobicContact CB-CD2 4.11Å; C210-F263 HydrophobicContact CB-CE1 3.89Å; C210-F263 HydrophobicContact CB-CE2 3.71Å; C210-F263 HydrophobicContact CB-CG 4.38Å; C210-F263 HydrophobicContact CB-CZ 3.59Å; C210-F263 PolarHBondContact N-O 2.8Å; C210-F263 PolarHBondContact O-N 2.92Å; F212-F263 HydrophobicContact CB-CE1 3.76Å; F212-F263 HydrophobicContact CB-CZ 4.37Å; C249-F263 HydrophobicContact CB-CB 4.31Å; C249-F263 VanDerWaalsContact O-CA 3.22Å; C249-F263 WeakPolarHBondContact O-CA 3.45Å; C249-F263 WeakPolarHBondContact O-CB 3.38Å; V250-F263 HydrophobicContact CG2-CB 4.12Å; I261-F263 HydrophobicContact CG2-CD1 3.84Å; I261-F263 HydrophobicContact CG2-CE1 4.08Å; I261-F263 WeakPolarHBondContact O-CD1 3.32Å; F263-P265 HydrophobicContact CD2-CB 4.1Å; F263-P265 HydrophobicContact CE2-CB 3.95Å; F263-P265 HydrophobicContact CE2-CG 4.49Å; F263-F270 HydrophobicContact CE2-CZ 4.26Å; F263-L272 HydrophobicContact CD1-CD1 3.99Å; F263-L272 HydrophobicContact CD2-CD1 3.79Å; F263-L272 HydrophobicContact CE1-CD1 3.92Å; F263-L272 HydrophobicContact CE1-CD2 3.89Å; F263-L272 HydrophobicContact CE2-CD1 3.71Å; F263-L272 HydrophobicContact CE2-CD2 4.24Å; F263-L272 HydrophobicContact CG-CD1 3.94Å; F263-L272 HydrophobicContact CZ-CD1 3.78Å; F263-L272 HydrophobicContact CZ-CD2 3.61Å; F263-L272 HydrophobicContact CZ-CG 4.36Å
264I96.3Very high89.2Confident15 Ų1542 Ų428%0.07721%0.207CC..  trans-106.6113.5165.3-68.7167.1000106.4I157 W159 R160 M207 C249I157-I264 HydrophobicContact CD1-CD1 3.41Å; I157-I264 VanDerWaalsContact CD1-CD1 3.41Å; W159-I264 PolarHBondContact NE1-O 2.66Å; R160-I264 HydrophobicContact CB-CG2 4.4Å; R160-I264 VanDerWaalsContact CD-CG2 3.49Å; M207-I264 HydrophobicContact CE-CG2 4.34Å; C249-I264 WeakPolarHBondContact CB-O 3.4Å
265P96.7Very high89.9Confident0 Ų039.6 Ų39.60%020%0.196CC..PPolyproline II helixtrans-70.9138.6-170.826.9-33.2000112.1R160 M200 L204 P208 F263 F270R160-P265 VanDerWaalsContact CD-O 3.23Å; R160-P265 WeakPolarHBondContact CD-O 3.23Å; R160-P265 PolarHBondContact NH1-O 2.61Å; M200-P265 HydrophobicContact CE-CB 4.01Å; M200-P265 HydrophobicContact CE-CG 4.25Å; M200-P265 HydrophobicContact SD-CB 4.41Å; L204-P265 HydrophobicContact CD1-CG 4.14Å; P208-P265 HydrophobicContact CG-CG 4.47Å; P208-P265 WeakPolarHBondContact O-CD 3.11Å; F263-P265 HydrophobicContact CD2-CB 4.1Å; F263-P265 HydrophobicContact CE2-CB 3.95Å; F263-P265 HydrophobicContact CE2-CG 4.49Å; P265-F270 HydrophobicContact CB-CE1 3.73Å; P265-F270 HydrophobicContact CB-CZ 3.68Å
266P94.8Very high90.7Very high14 Ų1442.9 Ų42.99%0.09121%0.208CC..PPolyproline II helixtrans-48.8154.9157.8-21.329.8000111.5W159 S202 F270W159-P266 HydrophobicContact CB-CG 4.09Å; W159-P266 HydrophobicContact CG-CG 4.21Å; S202-P266 WeakPolarHBondContact CB-O 3.19Å; P266-F270 HydrophobicContact CB-CB 4.37Å; P266-F270 HydrophobicContact CB-CD1 3.99Å; P266-F270 HydrophobicContact CB-CE1 4.5Å; P266-F270 HydrophobicContact CB-CG 4.09Å; P266-F270 HydrophobicContact CG-CB 4.26Å; P266-F270 HydrophobicContact CG-CD1 4.05Å; P266-F270 HydrophobicContact CG-CD2 3.87Å; P266-F270 HydrophobicContact CG-CE1 4.39Å; P266-F270 HydrophobicContact CG-CE2 4.22Å; P266-F270 HydrophobicContact CG-CG 3.79Å; P266-F270 HydrophobicContact CG-CZ 4.48Å
267D94.3Very high91.6Very high60 Ų6038 Ų3832%0.32118%0.181SC..SBendtrans-80.4140.6175.1-165.359.3000111.2R160 I164 Y166R160-D267 IonicContact NH1-OD1 2.76Å; I164-D267 HydrophobicContact CD1-CB 3.81Å; Y166-D267 WeakPolarHBondContact CE2-OD1 3.49Å; Y166-D267 VanDerWaalsContact OH-CG 3.3Å; Y166-D267 PolarHBondContact OH-OD1 3.35Å; Y166-D267 VanDerWaalsContact OH-OD1 3.08Å; Y166-D267 PolarHBondContact OH-OD2 2.73Å
268G94.5Very high92.6Very high13 Ų1337.1 Ų37.113%0.13417%0.173CC..EExtended strand (participates in β ladder)trans77.2-148.5-175.600000113.7K201 S202K201-G268 CarbonylContact C-O 3.58Å; K201-G268 VanDerWaalsContact CA-O 3.31Å; K201-G268 WeakPolarHBondContact CA-O 3.5Å; S202-G268 PolarHBondContact N-O 3.12Å; S202-G268 PolarHBondContact O-N 2.87Å
269E95Very high93.3Very high125 Ų12537.6 Ų37.658%0.58417%0.173SC*.EExtended strand (participates in β ladder)trans-88.8128.1-173.8-176.2174139.700112.4V199 M200 K201V199-E269 HydrophobicContact CG1-CG 3.76Å; M200-E269 CarbonylContact O-C 3.54Å; M200-E269 WeakPolarHBondContact O-CA 3.17Å; K201-E269 HydrophobicContact CD-CB 4.44Å; K201-E269 WeakPolarHBondContact CE-OE2 3.1Å; K201-E269 HydrophobicContact CG-CB 4.05Å; K201-E269 HydrophobicContact CG-CG 4.08Å; K201-E269 IonicContact NZ-OE2 3.34Å; K201-E269 PolarHBondContact NZ-OE2 2.96Å
270F94.8Very high94Very high19 Ų1940.3 Ų40.38%0.08319%0.193CC..EExtended strand (participates in β ladder)trans-150.5158.9174.271.9-77.8000112V199 M200 F263 P265 P266 L272V199-F270 WeakPolarHBondContact CA-O 3.5Å; M200-F270 HydrophobicContact CB-CD1 4.29Å; M200-F270 HydrophobicContact CB-CE1 3.71Å; M200-F270 HydrophobicContact CB-CE2 4.48Å; M200-F270 HydrophobicContact CB-CZ 3.81Å; M200-F270 HydrophobicContact CG-CE1 3.73Å; M200-F270 HydrophobicContact CG-CZ 3.95Å; M200-F270 PolarHBondContact N-O 2.79Å; M200-F270 PolarHBondContact O-N 3.24Å; M200-F270 HydrophobicContact SD-CE1 3.95Å; M200-F270 HydrophobicContact SD-CZ 3.64Å; F263-F270 HydrophobicContact CE2-CZ 4.26Å; P265-F270 HydrophobicContact CB-CE1 3.73Å; P265-F270 HydrophobicContact CB-CZ 3.68Å; P266-F270 HydrophobicContact CB-CB 4.37Å; P266-F270 HydrophobicContact CB-CD1 3.99Å; P266-F270 HydrophobicContact CB-CE1 4.5Å; P266-F270 HydrophobicContact CB-CG 4.09Å; P266-F270 HydrophobicContact CG-CB 4.26Å; P266-F270 HydrophobicContact CG-CD1 4.05Å; P266-F270 HydrophobicContact CG-CD2 3.87Å; P266-F270 HydrophobicContact CG-CE1 4.39Å; P266-F270 HydrophobicContact CG-CE2 4.22Å; P266-F270 HydrophobicContact CG-CG 3.79Å; P266-F270 HydrophobicContact CG-CZ 4.48Å; F270-L272 HydrophobicContact CE2-CB 3.88Å; F270-L272 HydrophobicContact CE2-CD1 3.99Å; F270-L272 HydrophobicContact CZ-CB 4.45Å; F270-L272 HydrophobicContact CZ-CD1 4.47Å
271E96.6Very high94.6Very high59 Ų5941.3 Ų41.328%0.27620%0.198SC..EExtended strand (participates in β ladder)trans-86.5108.6172.5-174.1174.7129.100108.8R197 H247 R274R197-E271 HydrophobicContact CB-CG 4.22Å; R197-E271 VanDerWaalsContact CD-OE2 3.26Å; R197-E271 WeakPolarHBondContact CD-OE2 3.25Å; H247-E271 WeakPolarHBondContact CB-O 3.42Å; E271-R274 WeakPolarHBondContact OE1-CB 3.36Å; E271-R274 IonicContact OE1-CZ 2.69Å; E271-R274 VanDerWaalsContact OE1-CZ 3.32Å; E271-R274 IonicContact OE1-NE 2.74Å; E271-R274 PolarHBondContact OE1-NE 3.45Å; E271-R274 IonicContact OE1-NH2 3.23Å; E271-R274 PolarHBondContact OE1-NH2 2.91Å; E271-R274 IonicContact OE2-NH2 3.73Å; E271-R274 PolarHBondContact OE2-NH2 2.99Å; E271-R274 VanDerWaalsContact OE2-NH2 3.1Å
272L97.1Very high94.7Very high0 Ų044.4 Ų44.40%021%0.213CC..EExtended strand (participates in β ladder)trans-70.9-44.2-179.6172.962.6000111.7V198 F212 H247 V250 F263 F270V198-L272 PolarHBondContact O-N 2.9Å; F212-L272 HydrophobicContact CB-CD2 4.38Å; F212-L272 HydrophobicContact CD1-CD2 4.34Å; F212-L272 HydrophobicContact CG-CD2 4.29Å; H247-L272 PolarHBondContact N-O 2.97Å; V250-L272 HydrophobicContact CG2-CD1 3.82Å; F263-L272 HydrophobicContact CD1-CD1 3.99Å; F263-L272 HydrophobicContact CD2-CD1 3.79Å; F263-L272 HydrophobicContact CE1-CD1 3.92Å; F263-L272 HydrophobicContact CE1-CD2 3.89Å; F263-L272 HydrophobicContact CE2-CD1 3.71Å; F263-L272 HydrophobicContact CE2-CD2 4.24Å; F263-L272 HydrophobicContact CG-CD1 3.94Å; F263-L272 HydrophobicContact CZ-CD1 3.78Å; F263-L272 HydrophobicContact CZ-CD2 3.61Å; F263-L272 HydrophobicContact CZ-CG 4.36Å; F270-L272 HydrophobicContact CE2-CB 3.88Å; F270-L272 HydrophobicContact CE2-CD1 3.99Å; F270-L272 HydrophobicContact CZ-CB 4.45Å; F270-L272 HydrophobicContact CZ-CD1 4.47Å
273M96.5Very high94.7Very high2 Ų246.1 Ų46.11%0.0122%0.222CC..EExtended strand (participates in β ladder)trans-155.3157.218066.8175.6-66.600111.9R197 V198 F212 M214 C244 T245 F246 I261 Y275R197-M273 CarbonylContact C-O 3.55Å; R197-M273 VanDerWaalsContact CA-O 3.26Å; R197-M273 WeakPolarHBondContact CA-O 3.35Å; V198-M273 HydrophobicContact CB-CG 3.8Å; V198-M273 HydrophobicContact CG2-CG 3.64Å; V198-M273 HydrophobicContact CG2-SD 4.05Å; V198-M273 PolarHBondContact N-O 3.37Å; F212-M273 HydrophobicContact CD1-SD 4.4Å; F212-M273 HydrophobicContact CE1-SD 3.84Å; M214-M273 HydrophobicContact CE-CE 3.81Å; M214-M273 HydrophobicContact CE-SD 3.62Å; M214-M273 HydrophobicContact SD-CE 4.27Å; M214-M273 HydrophobicContact SD-SD 4.45Å; C244-M273 HydrophobicContact CB-CE 4.11Å; T245-M273 CarbonylContact O-C 3.57Å; T245-M273 WeakPolarHBondContact O-CA 3.44Å; T245-M273 WeakPolarHBondContact O-CB 3.49Å; F246-M273 HydrophobicContact CD1-CB 3.62Å; F246-M273 HydrophobicContact CE1-CB 3.87Å; F246-M273 HydrophobicContact CE1-CE 3.93Å; F246-M273 HydrophobicContact CE1-SD 4.05Å; F246-M273 HydrophobicContact CZ-CE 4.42Å; I261-M273 HydrophobicContact CD1-SD 3.98Å; M273-Y275 HydrophobicContact CE-CD1 3.89Å; M273-Y275 HydrophobicContact CE-CG 4.3Å
274R97.4Very high94.7Very high124 Ų12446.1 Ų46.147%0.46822%0.222SC..EExtended strand (participates in β ladder)trans-126.2144.1167.2-178.5-177.9-60.4-171.30.5109G196 R197 C244 T245 E271G196-R274 CarbonylContact O-C 3.49Å; G196-R274 WeakPolarHBondContact O-CA 3.5Å; G196-R274 VanDerWaalsContact O-CG 3.29Å; G196-R274 WeakPolarHBondContact O-CG 3.37Å; R197-R274 HydrophobicContact CB-CB 4.35Å; R197-R274 HydrophobicContact CB-CG 4.46Å; C244-R274 CarbonylContact C-O 3.42Å; C244-R274 VanDerWaalsContact CA-O 3.25Å; C244-R274 WeakPolarHBondContact CA-O 3.22Å; T245-R274 PolarHBondContact N-O 3.24Å; T245-R274 PolarHBondContact O-N 3.31Å; T245-R274 WeakPolarHBondContact OG1-CB 3.02Å; T245-R274 PolarHBondContact OG1-O 2.64Å; E271-R274 WeakPolarHBondContact OE1-CB 3.36Å; E271-R274 IonicContact OE1-CZ 2.69Å; E271-R274 VanDerWaalsContact OE1-CZ 3.32Å; E271-R274 IonicContact OE1-NE 2.74Å; E271-R274 PolarHBondContact OE1-NE 3.45Å; E271-R274 IonicContact OE1-NH2 3.23Å; E271-R274 PolarHBondContact OE1-NH2 2.91Å; E271-R274 IonicContact OE2-NH2 3.73Å; E271-R274 PolarHBondContact OE2-NH2 2.99Å; E271-R274 VanDerWaalsContact OE2-NH2 3.1Å
275Y95.7Very high94.8Very high2 Ų245.5 Ų45.51%0.00822%0.219CC..EExtended strand (participates in β ladder)trans-144158.4-176.859.1-83.6000110.6V175 E177 G196 V198 I239 D243 M273 L397V175-Y275 VanDerWaalsContact CG1-OH 3.28Å; V175-Y275 WeakPolarHBondContact CG1-OH 3.35Å; E177-Y275 WeakPolarHBondContact CG-OH 3.35Å; E177-Y275 WeakPolarHBondContact OE1-CE2 3.47Å; E177-Y275 PolarHBondContact OE1-OH 2.9Å; G196-Y275 VanDerWaalsContact C-CE1 3.48Å; G196-Y275 PolarHBondContact N-O 3.31Å; G196-Y275 PolarHBondContact O-N 3.42Å; G196-Y275 VanDerWaalsContact O-O 3.09Å; V198-Y275 HydrophobicContact CG2-CE1 4.03Å; I239-Y275 HydrophobicContact CD1-CE2 4.35Å; D243-Y275 CarbonylContact O-C 3.54Å; D243-Y275 VanDerWaalsContact O-CA 3.25Å; D243-Y275 WeakPolarHBondContact O-CA 3.23Å; M273-Y275 HydrophobicContact CE-CD1 3.89Å; M273-Y275 HydrophobicContact CE-CG 4.3Å; Y275-L397 HydrophobicContact CD2-CD1 4.34Å; Y275-L397 HydrophobicContact CE1-CD1 4Å; Y275-L397 HydrophobicContact CE2-CB 4.5Å; Y275-L397 HydrophobicContact CE2-CD1 3.81Å
276R96.4Very high94.7Very high89 Ų8951.3 Ų51.334%0.33624%0.241SC..EExtended strand (participates in β ladder)trans-130.5141.2175.3-168.8176.560.886.15.5110.1V194 D242 D243 T278V194-R276 WeakPolarHBondContact O-CA 3.41Å; D242-R276 WeakPolarHBondContact CB-O 3.42Å; D242-R276 PolarHBondContact N-O 2.96Å; D242-R276 IonicContact OD2-NH1 3.32Å; D243-R276 PolarHBondContact O-N 3.27Å; D243-R276 WeakPolarHBondContact OD1-CB 2.86Å; D243-R276 IonicContact OD1-NE 3.1Å; D243-R276 IonicContact OD2-CZ 3.28Å; D243-R276 IonicContact OD2-NE 3.27Å; D243-R276 PolarHBondContact OD2-NE 3.3Å; D243-R276 IonicContact OD2-NH2 3.76Å; D243-R276 PolarHBondContact OD2-NH2 3.21Å; R276-T278 VanDerWaalsContact NH1-CG2 3.34Å
277T94.9Very high94.7Very high0 Ų050.7 Ų50.70%024%0.237CC..EExtended strand (participates in β ladder)trans-137.6132.2175.8-71.30000110.1H193 V194 I239 A240 D242 K279 I281H193-T277 CarbonylContact C-O 3.59Å; H193-T277 VanDerWaalsContact CA-O 3.32Å; H193-T277 WeakPolarHBondContact CA-O 3.41Å; V194-T277 PolarHBondContact N-O 2.8Å; V194-T277 PolarHBondContact O-N 2.79Å; I239-T277 WeakPolarHBondContact CD1-OG1 3.42Å; I239-T277 HydrophobicContact CG1-CG2 4.29Å; A240-T277 WeakPolarHBondContact O-CB 3.36Å; A240-T277 WeakPolarHBondContact O-CG2 3.42Å; A240-T277 PolarHBondContact O-OG1 3.49Å; D242-T277 WeakPolarHBondContact OD2-CA 3.41Å; T277-K279 WeakPolarHBondContact CG2-O 3.35Å; T277-I281 HydrophobicContact CG2-CG2 3.94Å
278T94.4Very high94.8Very high57 Ų5751.1 Ų51.135%0.3524%0.238SC..  trans-108.7-16.8176.954.10000112.8H193 D242 R276H193-T278 HydrophobicContact CB-CG2 3.75Å; D242-T278 PolarHBondContact OD1-OG1 3.24Å; D242-T278 WeakPolarHBondContact OD2-CB 3.12Å; D242-T278 WeakPolarHBondContact OD2-CG2 3.3Å; D242-T278 PolarHBondContact OD2-N 3.34Å; D242-T278 PolarHBondContact OD2-OG1 3.46Å; R276-T278 VanDerWaalsContact NH1-CG2 3.34Å
279K89.2Confident94.8Very high128 Ų12851.2 Ų51.256%0.55724%0.237SC*.SBendtrans-103.9150.6-175.1-63.2-178.2-178.2176.80112A240 T277 I281A240-K279 HydrophobicContact CB-CB 4.4Å; T277-K279 WeakPolarHBondContact CG2-O 3.35Å; K279-I281 WeakPolarHBondContact O-CG2 3.29Å; K279-I281 PolarHBondContact O-N 3.14Å
280D87.5Confident94.7Very high128 Ų12850.9 Ų50.968%0.68424%0.238SC*.SBendtrans5426.5172-53.1-41.8000115
281I92.1Very high94.6Very high30 Ų3051.3 Ų51.315%0.15424%0.243CC..  trans-75.5140.3179.767.4173.3000111A192 V194 T277 K279 L283A192-I281 HydrophobicContact CB-CD1 3.42Å; A192-I281 VanDerWaalsContact CB-CD1 3.42Å; V194-I281 HydrophobicContact CB-CG2 4.38Å; V194-I281 HydrophobicContact CG2-CB 4.07Å; V194-I281 HydrophobicContact CG2-CG2 3.75Å; T277-I281 HydrophobicContact CG2-CG2 3.94Å; K279-I281 WeakPolarHBondContact O-CG2 3.29Å; K279-I281 PolarHBondContact O-N 3.14Å; I281-L283 HydrophobicContact CD1-CD2 3.88Å; I281-L283 HydrophobicContact CG1-CD2 4.26Å
282I92.7Very high94.4Very high66 Ų6655.3 Ų55.334%0.33826%0.255SS..  trans-87.1114.1173.4-58.4171.9000108.1P284 F392 P394I282-P284 WeakPolarHBondContact O-CD 3.46Å; I282-F392 HydrophobicContact CB-CE2 4.41Å; I282-F392 HydrophobicContact CG2-CE2 4.14Å; I282-F392 HydrophobicContact CG2-CZ 4.47Å; I282-P394 PolarHBondContact N-O 2.78Å
283L95.7Very high94Very high37 Ų3760 Ų6019%0.19428%0.277CS..  trans-79.6111.2172.4-61.5-178.5000109.6V179 L181 V189 A192 I281 F285V179-L283 HydrophobicContact CG1-CD2 4.15Å; L181-L283 HydrophobicContact CD1-CD1 3.98Å; L181-L283 HydrophobicContact CD1-CD2 4.07Å; L181-L283 HydrophobicContact CD2-CD1 4.42Å; V189-L283 HydrophobicContact CG2-CD1 3.77Å; A192-L283 HydrophobicContact CB-CD2 4.34Å; I281-L283 HydrophobicContact CD1-CD2 3.88Å; I281-L283 HydrophobicContact CG1-CD2 4.26Å; L283-F285 PolarHBondContact O-N 3.2Å
284P96.7Very high93.8Very high0 Ų062.4 Ų62.40%029%0.292CS..SBendtrans-69.1-24.1-171.9-21.435.5000113.3V179 I282 S307 N308 F309 F388 V390 F392 P394V179-P284 HydrophobicContact CG2-CG 4.42Å; I282-P284 WeakPolarHBondContact O-CD 3.46Å; P284-S307 CarbonylContact O-C 3.5Å; P284-S307 WeakPolarHBondContact O-CA 3.31Å; P284-N308 PolarHBondContact O-N 3.41Å; P284-F309 HydrophobicContact CB-CD1 4.09Å; P284-F309 HydrophobicContact CB-CE1 4.49Å; P284-F309 VanDerWaalsContact O-CD1 3.26Å; P284-F309 WeakPolarHBondContact O-CD1 3.36Å; P284-F388 HydrophobicContact CB-CE2 4.11Å; P284-F388 HydrophobicContact CB-CZ 4.34Å; P284-F388 HydrophobicContact CG-CE2 3.83Å; P284-F388 HydrophobicContact CG-CZ 4.02Å; P284-V390 HydrophobicContact CB-CG1 4.06Å; P284-V390 HydrophobicContact CB-CG2 4.5Å; P284-V390 HydrophobicContact CG-CG2 4.24Å; P284-F392 HydrophobicContact CB-CZ 3.93Å; P284-F392 HydrophobicContact CG-CE2 4.39Å; P284-F392 HydrophobicContact CG-CZ 3.87Å; P284-P394 HydrophobicContact CG-CG 4.27Å
285F96.9Very high93.3Very high3 Ų359.6 Ų59.61%0.01330%0.302CS..EExtended strand (participates in β ladder)trans-131.5164.2178.7-66.3-80.2000111.2L283 K306 F309 A315 I318 M356 M386 F388 V390 Y429L283-F285 PolarHBondContact O-N 3.2Å; F285-K306 CarbonylContact C-O 3.59Å; F285-K306 WeakPolarHBondContact CA-O 3.46Å; F285-F309 HydrophobicContact CE1-CE1 4.22Å; F285-F309 HydrophobicContact CE2-CE1 4.36Å; F285-F309 AromaticContact CZ-CE1 3.98Å; F285-F309 HydrophobicContact CZ-CE1 3.98Å; F285-F309 HydrophobicContact CZ-CZ 4.49Å; F285-A315 HydrophobicContact CE2-CB 4.16Å; F285-A315 HydrophobicContact CZ-CB 3.55Å; F285-I318 HydrophobicContact CE1-CD1 4.32Å; F285-I318 HydrophobicContact CZ-CD1 3.92Å; F285-I318 HydrophobicContact CZ-CG1 4.22Å; F285-M356 HydrophobicContact CE1-SD 3.85Å; F285-M386 HydrophobicContact CB-CE 3.96Å; F285-M386 HydrophobicContact CB-SD 3.7Å; F285-M386 HydrophobicContact CD1-CE 3.47Å; F285-M386 VanDerWaalsContact CD1-CE 3.47Å; F285-M386 HydrophobicContact CD1-SD 4.36Å; F285-M386 HydrophobicContact CD2-CE 3.64Å; F285-M386 HydrophobicContact CD2-SD 4.14Å; F285-M386 HydrophobicContact CE1-CE 3.76Å; F285-M386 HydrophobicContact CE2-CE 3.95Å; F285-M386 HydrophobicContact CG-CE 3.39Å; F285-M386 HydrophobicContact CG-SD 3.81Å; F285-M386 HydrophobicContact CZ-CE 3.98Å; F285-F388 HydrophobicContact CD2-CB 4.27Å; F285-F388 AromaticContact CD2-CD1 3.54Å; F285-F388 HydrophobicContact CD2-CD1 3.54Å; F285-F388 HydrophobicContact CD2-CD2 4.1Å; F285-F388 AromaticContact CD2-CE1 3.81Å; F285-F388 HydrophobicContact CD2-CE1 3.81Å; F285-F388 HydrophobicContact CD2-CE2 4.34Å; F285-F388 AromaticContact CD2-CG 3.7Å; F285-F388 HydrophobicContact CD2-CG 3.7Å; F285-F388 HydrophobicContact CD2-CZ 4.2Å; F285-F388 HydrophobicContact CE2-CB 3.65Å; F285-F388 AromaticContact CE2-CD1 3.83Å; F285-F388 HydrophobicContact CE2-CD1 3.83Å; F285-F388 AromaticContact CE2-CD2 3.82Å; F285-F388 HydrophobicContact CE2-CD2 3.82Å; F285-F388 HydrophobicContact CE2-CE1 4.43Å; F285-F388 HydrophobicContact CE2-CE2 4.43Å; F285-F388 AromaticContact CE2-CG 3.48Å; F285-F388 HydrophobicContact CE2-CG 3.48Å; F285-F388 VanDerWaalsContact CE2-CG 3.48Å; F285-F388 HydrophobicContact CZ-CB 4.43Å; F285-V390 HydrophobicContact CE2-CG1 4.23Å; F285-Y429 HydrophobicContact CB-CE1 4.48Å; F285-Y429 PolarHBondContact O-OH 3.14Å
286R95.3Very high92.8Very high121 Ų12170 Ų7046%0.45734%0.341SS..EExtended strand (participates in β ladder)trans-134.7122.2164.1-174.4174.3-178.5155.50.5107M183 G187 I288 I305 K306M183-R286 HydrophobicContact CE-CG 4.16Å; M183-R286 HydrophobicContact SD-CG 4.39Å; G187-R286 PolarHBondContact O-NH2 3.08Å; R286-I288 HydrophobicContact CG-CG1 4.22Å; R286-I305 WeakPolarHBondContact O-CA 3.28Å; R286-K306 HydrophobicContact CB-CB 4.5Å; R286-K306 PolarHBondContact N-O 3.19Å; R286-K306 PolarHBondContact O-N 2.96Å
287V95.6Very high92.5Very high2 Ų269.5 Ų69.51%0.01235%0.348CS..EExtended strand (participates in β ladder)trans-100.9121.5178.2-175.90000108.1M183 P289 V303 V304 I305 I384 M386M183-V287 WeakPolarHBondContact CE-O 3.46Å; V287-P289 WeakPolarHBondContact O-CD 3.24Å; V287-V303 HydrophobicContact CG1-CG1 3.65Å; V287-V304 CarbonylContact C-O 3.37Å; V287-I305 HydrophobicContact CG1-CG2 4.36Å; V287-I305 HydrophobicContact CG2-CG2 4.14Å; V287-I384 HydrophobicContact CG1-CG2 4.1Å; V287-M386 HydrophobicContact CG2-CB 4.31Å; V287-M386 HydrophobicContact CG2-SD 3.73Å
288I95.2Very high92.4Very high68 Ų6872.1 Ų72.135%0.34936%0.359SS..EExtended strand (participates in β ladder)trans-113.997.3-179.1-55.1169.9000107.1R286 V304 K306R286-I288 HydrophobicContact CG-CG1 4.22Å; I288-V304 HydrophobicContact CB-CB 4.27Å; I288-V304 PolarHBondContact N-O 3.2Å; I288-V304 PolarHBondContact O-N 2.84Å; I288-K306 HydrophobicContact CD1-CD 4.14Å; I288-K306 HydrophobicContact CD1-CG 4.49Å
289P94.6Very high92.4Very high16 Ų1669.5 Ų69.510%0.10434%0.343CS..EExtended strand (participates in β ladder)trans-81140173.431-31.8000111.4V287 I384 T431 C433V287-P289 WeakPolarHBondContact O-CD 3.24Å; P289-I384 HydrophobicContact CB-CD1 3.69Å; P289-T431 HydrophobicContact CG-CG2 3.83Å; P289-C433 HydrophobicContact CB-CB 3.85Å; P289-C433 HydrophobicContact CG-CB 4.02Å
290L93.9Very high92.7Very high117 Ų11765.6 Ų65.661%0.61333%0.327SS*.EExtended strand (participates in β ladder)trans-129.2114.9166.2-178.271.3000107.5K302L290-K302 HydrophobicContact CB-CB 4.32Å; L290-K302 PolarHBondContact N-O 2.83Å; L290-K302 PolarHBondContact O-N 2.88Å
291V92.4Very high93.1Very high29 Ų2959.9 Ų59.918%0.17630%0.296CS..EExtended strand (participates in β ladder)trans-118.3124-178.8-179.50000108.5L299 E300 V301 C433V291-L299 HydrophobicContact CG1-CD1 3.52Å; V291-L299 HydrophobicContact CG1-CD2 4.32Å; V291-L299 HydrophobicContact CG1-CG 4.09Å; V291-E300 WeakPolarHBondContact CA-O 3.24Å; V291-V301 HydrophobicContact CG1-CG2 4.31Å; V291-V301 HydrophobicContact CG2-CG1 4.28Å; V291-V301 HydrophobicContact CG2-CG2 4.29Å; V291-C433 HydrophobicContact CG2-CB 3.95Å
292R92Very high93.3Very high142 Ų14262.4 Ų62.454%0.53631%0.306SS..EExtended strand (participates in β ladder)trans-123.8121.8178.2-174.8177.976.4173.75.9109.8V294 E300R292-V294 HydrophobicContact CG-CG2 4.36Å; R292-E300 HydrophobicContact CB-CB 4.42Å; R292-E300 IonicContact CZ-OE1 3.8Å; R292-E300 IonicContact CZ-OE2 3.14Å; R292-E300 PolarHBondContact N-O 2.85Å; R292-E300 IonicContact NE-OE2 2.87Å; R292-E300 PolarHBondContact NE-OE2 2.94Å; R292-E300 VanDerWaalsContact NE-OE2 3.14Å; R292-E300 IonicContact NH2-OE1 3.84Å; R292-E300 PolarHBondContact NH2-OE1 2.83Å; R292-E300 IonicContact NH2-OE2 3.09Å; R292-E300 PolarHBondContact NH2-OE2 2.84Å; R292-E300 PolarHBondContact O-N 2.77Å
293E89.2Confident93.5Very high98 Ų9859.3 Ų59.346%0.45829%0.29SS..EExtended strand (participates in β ladder)trans-82.2128.5169.2-75.4170.6-159.400109.1L299 R381E293-L299 HydrophobicContact CB-CD1 4.39Å; E293-L299 HydrophobicContact CG-CD1 3.41Å; E293-L299 VanDerWaalsContact CG-CD1 3.41Å; E293-R381 IonicContact OE1-CZ 2.91Å; E293-R381 IonicContact OE1-NE 3.12Å; E293-R381 IonicContact OE1-NH2 3.94Å; E293-R381 PolarHBondContact OE1-NH2 3.27Å
294V91.3Very high93.5Very high54 Ų5458.4 Ų58.433%0.32729%0.286SS..EExtended strand (participates in β ladder)trans-113.597.5177.2-178.50000107.5R292 K298 E300R292-V294 HydrophobicContact CG-CG2 4.36Å; V294-K298 HydrophobicContact CB-CB 4.18Å; V294-K298 PolarHBondContact N-O 3.17Å; V294-K298 PolarHBondContact O-N 2.82Å; V294-E300 HydrophobicContact CG2-CG 4.22Å
295G86.7Confident93.5Very high65 Ų6558.4 Ų58.467%0.6729%0.286SS*.THydrogen-bonded Turntrans64.8-135.9-17300000111.9
296R85.7Confident93.5Very high219 Ų21962.1 Ų62.183%0.82630%0.303SS*.THydrogen-bonded Turntrans-114.2-3.5178.1-65.4-171.4179.4177.52.6114.1
297T90.6Very high93.6Very high80 Ų8056.6 Ų56.649%0.49128%0.283SS..THydrogen-bonded Turntrans-116.7-7.4-168.753.90000113E369 L370 P372T297-E369 CarbonylContact O-C 3.58Å; T297-E369 WeakPolarHBondContact O-CA 3.48Å; T297-L370 PolarHBondContact O-N 3.35Å; T297-P372 HydrophobicContact CG2-CG 4.36Å
298K93.4Very high93.6Very high55 Ų5560.8 Ų60.824%0.23931%0.305CS..EExtended strand (participates in β ladder)trans-142.3138.3-177-171.4179.3-174.7-175.20111.5V294 E300 E367 I368V294-K298 HydrophobicContact CB-CB 4.18Å; V294-K298 PolarHBondContact N-O 3.17Å; V294-K298 PolarHBondContact O-N 2.82Å; K298-E300 IonicContact NZ-OE1 3.92Å; K298-E367 WeakPolarHBondContact CE-OE2 3.43Å; K298-E367 IonicContact NZ-OE1 2.68Å; K298-E367 PolarHBondContact NZ-OE1 2.78Å; K298-E367 IonicContact NZ-OE2 2.61Å; K298-E367 PolarHBondContact NZ-OE2 3.28Å; K298-I368 CarbonylContact C-O 3.58Å; K298-I368 WeakPolarHBondContact CA-O 3.34Å
299L93.8Very high93.6Very high1 Ų158.3 Ų58.31%0.00529%0.292CS..EExtended strand (participates in β ladder)trans-123.6123.5172.4-175.777000108.3V291 E293 V301 P325 I368 L370 W379V291-L299 HydrophobicContact CG1-CD1 3.52Å; V291-L299 HydrophobicContact CG1-CD2 4.32Å; V291-L299 HydrophobicContact CG1-CG 4.09Å; E293-L299 HydrophobicContact CB-CD1 4.39Å; E293-L299 HydrophobicContact CG-CD1 3.41Å; E293-L299 VanDerWaalsContact CG-CD1 3.41Å; L299-V301 HydrophobicContact CD2-CG2 3.98Å; L299-V301 HydrophobicContact CG-CG2 4.04Å; L299-P325 HydrophobicContact CD2-CG 4.09Å; L299-I368 HydrophobicContact CB-CB 4.18Å; L299-I368 HydrophobicContact CD2-CD1 4.11Å; L299-I368 PolarHBondContact N-O 3.33Å; L299-I368 WeakPolarHBondContact O-CB 3.45Å; L299-I368 PolarHBondContact O-N 2.83Å; L299-L370 HydrophobicContact CB-CD1 4.17Å; L299-W379 HydrophobicContact CD2-CE3 4.42Å; L299-W379 HydrophobicContact CD2-CH2 4.49Å; L299-W379 HydrophobicContact CD2-CZ3 3.74Å
300E95.8Very high93.7Very high47 Ų4764.7 Ų64.722%0.2232%0.318CS..EExtended strand (participates in β ladder)trans-101.5128.2173.7-70.1176.2-157.500109.5V291 R292 V294 K298 A366V291-E300 WeakPolarHBondContact CA-O 3.24Å; R292-E300 HydrophobicContact CB-CB 4.42Å; R292-E300 IonicContact CZ-OE1 3.8Å; R292-E300 IonicContact CZ-OE2 3.14Å; R292-E300 PolarHBondContact N-O 2.85Å; R292-E300 IonicContact NE-OE2 2.87Å; R292-E300 PolarHBondContact NE-OE2 2.94Å; R292-E300 VanDerWaalsContact NE-OE2 3.14Å; R292-E300 IonicContact NH2-OE1 3.84Å; R292-E300 PolarHBondContact NH2-OE1 2.83Å; R292-E300 IonicContact NH2-OE2 3.09Å; R292-E300 PolarHBondContact NH2-OE2 2.84Å; R292-E300 PolarHBondContact O-N 2.77Å; V294-E300 HydrophobicContact CG2-CG 4.22Å; K298-E300 IonicContact NZ-OE1 3.92Å; E300-A366 WeakPolarHBondContact CA-O 3.44Å
301V95.5Very high93.9Very high7 Ų763.2 Ų63.24%0.04232%0.315CS..EExtended strand (participates in β ladder)trans-125.6120.7-178.2-178.70000109.1V291 L299 V303 I322 S365 A366 I368V291-V301 HydrophobicContact CG1-CG2 4.31Å; V291-V301 HydrophobicContact CG2-CG1 4.28Å; V291-V301 HydrophobicContact CG2-CG2 4.29Å; L299-V301 HydrophobicContact CD2-CG2 3.98Å; L299-V301 HydrophobicContact CG-CG2 4.04Å; V301-V303 HydrophobicContact CG1-CG2 3.87Å; V301-I322 HydrophobicContact CG1-CG2 3.82Å; V301-S365 CarbonylContact O-C 3.52Å; V301-S365 WeakPolarHBondContact O-CA 2.98Å; V301-A366 HydrophobicContact CB-CB 4.49Å; V301-A366 PolarHBondContact N-O 2.75Å; V301-A366 PolarHBondContact O-N 3.02Å; V301-I368 HydrophobicContact CG2-CD1 3.78Å
302K96.1Very high94.1Very high84 Ų8466.7 Ų66.737%0.36534%0.341SS..EExtended strand (participates in β ladder)trans-115.8126.8170.5-175.7176.5-177.4176.70108.9L290 I364L290-K302 HydrophobicContact CB-CB 4.32Å; L290-K302 PolarHBondContact N-O 2.83Å; L290-K302 PolarHBondContact O-N 2.88Å; K302-I364 WeakPolarHBondContact CA-O 3.33Å
303V96.3Very high94.3Very high0 Ų062.1 Ų62.10%033%0.327CS..EExtended strand (participates in β ladder)trans-124.2122.3178.2-176.50000109V287 V301 I305 I322 Q363 I364 I384V287-V303 HydrophobicContact CG1-CG1 3.65Å; V301-V303 HydrophobicContact CG1-CG2 3.87Å; V303-I305 HydrophobicContact CG1-CG2 4.43Å; V303-I322 HydrophobicContact CB-CD1 4.12Å; V303-I322 HydrophobicContact CG2-CD1 3.66Å; V303-I322 HydrophobicContact CG2-CG1 4.08Å; V303-I322 HydrophobicContact CG2-CG2 4.41Å; V303-Q363 WeakPolarHBondContact O-CA 3.39Å; V303-I364 HydrophobicContact CB-CG2 3.77Å; V303-I364 HydrophobicContact CG2-CG2 4.47Å; V303-I364 PolarHBondContact N-O 2.85Å; V303-I364 PolarHBondContact O-N 2.8Å; V303-I384 HydrophobicContact CG1-CD1 4.31Å; V303-I384 HydrophobicContact CG2-CD1 3.56Å
304V96.3Very high94.7Very high18 Ų1860.4 Ų60.411%0.10932%0.32CS..EExtended strand (participates in β ladder)trans-107126.8174.6178.40000108.5V287 I288 K306 E361 Q363V287-V304 CarbonylContact C-O 3.37Å; I288-V304 HydrophobicContact CB-CB 4.27Å; I288-V304 PolarHBondContact N-O 3.2Å; I288-V304 PolarHBondContact O-N 2.84Å; V304-K306 HydrophobicContact CG1-CG 4.13Å; V304-E361 VanDerWaalsContact CG1-CD 3.47Å; V304-E361 HydrophobicContact CG1-CG 3.58Å; V304-E361 WeakPolarHBondContact CG1-OE1 3.39Å; V304-Q363 HydrophobicContact CG2-CB 4.1Å
305I96.5Very high95Very high0 Ų057.8 Ų57.80%031%0.305CS..EExtended strand (participates in β ladder)trans-108.5128.5170.662173.1000109.5R286 V287 V303 I318 V320 W351 I353 M356 E361 S362 M386R286-I305 WeakPolarHBondContact O-CA 3.28Å; V287-I305 HydrophobicContact CG1-CG2 4.36Å; V287-I305 HydrophobicContact CG2-CG2 4.14Å; V303-I305 HydrophobicContact CG1-CG2 4.43Å; I305-I318 HydrophobicContact CD1-CG2 4.5Å; I305-V320 HydrophobicContact CD1-CG2 4.38Å; I305-V320 HydrophobicContact CG2-CG2 4.02Å; I305-W351 HydrophobicContact CD1-CH2 3.88Å; I305-W351 HydrophobicContact CD1-CZ3 3.81Å; I305-W351 HydrophobicContact CG1-CH2 3.84Å; I305-W351 HydrophobicContact CG1-CZ3 3.83Å; I305-W351 HydrophobicContact CG2-CZ3 4.08Å; I305-I353 HydrophobicContact CD1-CD1 3.53Å; I305-M356 HydrophobicContact CD1-CE 3.74Å; I305-M356 HydrophobicContact CD1-SD 4.31Å; I305-M356 HydrophobicContact CG1-CE 4.06Å; I305-E361 CarbonylContact O-C 3.55Å; I305-E361 VanDerWaalsContact O-CA 3.32Å; I305-E361 WeakPolarHBondContact O-CA 3.29Å; I305-S362 WeakPolarHBondContact CG1-O 3.46Å; I305-S362 PolarHBondContact N-O 3.18Å; I305-S362 PolarHBondContact O-N 2.84Å; I305-M386 HydrophobicContact CD1-CE 4.27Å
306K96.8Very high95.5Very high82 Ų8258.5 Ų58.536%0.35729%0.291SS..EExtended strand (participates in β ladder)trans-115.5126174.8-54.8-167.4-174-129.30108.9F285 R286 I288 V304 E361F285-K306 CarbonylContact C-O 3.59Å; F285-K306 WeakPolarHBondContact CA-O 3.46Å; R286-K306 HydrophobicContact CB-CB 4.5Å; R286-K306 PolarHBondContact N-O 3.19Å; R286-K306 PolarHBondContact O-N 2.96Å; I288-K306 HydrophobicContact CD1-CD 4.14Å; I288-K306 HydrophobicContact CD1-CG 4.49Å; V304-K306 HydrophobicContact CG1-CG 4.13Å; K306-E361 WeakPolarHBondContact CE-OE2 3.49Å; K306-E361 HydrophobicContact CG-CB 4.48Å; K306-E361 HydrophobicContact CG-CG 4.07Å; K306-E361 IonicContact NZ-OE1 2.7Å; K306-E361 IonicContact NZ-OE2 2.64Å; K306-E361 PolarHBondContact NZ-OE2 2.5Å
307S97.4Very high96.1Very high5 Ų554.9 Ų54.94%0.03528%0.281CS..EExtended strand (participates in β ladder)trans-86.1131.2172.958.90000110.3P284 A357 M359 K360P284-S307 CarbonylContact O-C 3.5Å; P284-S307 WeakPolarHBondContact O-CA 3.31Å; S307-A357 PolarHBondContact OG-O 2.81Å; S307-M359 VanDerWaalsContact O-CA 3.28Å; S307-M359 WeakPolarHBondContact O-CA 3.4Å; S307-M359 PolarHBondContact O-N 3.48Å; S307-M359 VanDerWaalsContact O-N 3.1Å; S307-M359 PolarHBondContact OG-N 3.2Å; S307-M359 VanDerWaalsContact OG-N 3.12Å; S307-K360 PolarHBondContact N-O 2.99Å; S307-K360 PolarHBondContact OG-N 2.91Å; S307-K360 PolarHBondContact OG-O 3.23Å
308N95.5Very high96.4Very high90 Ų9051.2 Ų51.248%0.48126%0.258SS..  trans-123.167.4-175.7-170.446.1000111.5P284P284-N308 PolarHBondContact O-N 3.41Å
309F96.3Very high96.6Very high16 Ų1651 Ų517%0.0726%0.258CS..SBendtrans-153.1174.3175.855.6-95000109.6P284 F285 L313 A315 G358 M359 V390 F392P284-F309 HydrophobicContact CB-CD1 4.09Å; P284-F309 HydrophobicContact CB-CE1 4.49Å; P284-F309 VanDerWaalsContact O-CD1 3.26Å; P284-F309 WeakPolarHBondContact O-CD1 3.36Å; F285-F309 HydrophobicContact CE1-CE1 4.22Å; F285-F309 HydrophobicContact CE2-CE1 4.36Å; F285-F309 AromaticContact CZ-CE1 3.98Å; F285-F309 HydrophobicContact CZ-CE1 3.98Å; F285-F309 HydrophobicContact CZ-CZ 4.49Å; F309-L313 HydrophobicContact CD2-CB 3.92Å; F309-L313 HydrophobicContact CE2-CB 4.07Å; F309-L313 WeakPolarHBondContact CE2-O 3.24Å; F309-A315 HydrophobicContact CE1-CB 4.19Å; F309-A315 HydrophobicContact CZ-CB 3.66Å; F309-G358 VanDerWaalsContact CD2-CA 3.5Å; F309-G358 CarbonylContact O-C 3.52Å; F309-G358 VanDerWaalsContact O-CA 3.26Å; F309-G358 WeakPolarHBondContact O-CA 3.33Å; F309-M359 WeakPolarHBondContact O-CG 3.36Å; F309-M359 PolarHBondContact O-N 2.8Å; F309-V390 HydrophobicContact CE1-CG1 4.32Å; F309-F392 HydrophobicContact CB-CE1 3.67Å; F309-F392 HydrophobicContact CB-CZ 3.75Å; F309-F392 HydrophobicContact CD1-CE1 4.12Å; F309-F392 HydrophobicContact CD1-CZ 4.36Å; F309-F392 HydrophobicContact CD2-CE1 4.2Å; F309-F392 AromaticContact CG-CE1 3.75Å; F309-F392 HydrophobicContact CG-CE1 3.75Å; F309-F392 HydrophobicContact CG-CZ 4.17Å
310K96.2Very high96.8Very high149 Ų14950.9 Ų50.965%0.64826%0.257SS*.  trans-51.4131.8-175.1-68.8-175.3177.9-176.70112.3S312 L313K310-S312 PolarHBondContact O-N 3.01Å; K310-S312 VanDerWaalsContact O-N 3.14Å; K310-L313 HydrophobicContact CB-CD1 4.13Å; K310-L313 HydrophobicContact CB-CG 4.11Å; K310-L313 PolarHBondContact O-N 2.93Å
311P97Very high96.9Very high87 Ų8752.7 Ų52.757%0.56526%0.262SS*.THydrogen-bonded Turntrans-58.5-27.7-178.7-2633.4000115.2L313 M359P311-L313 VanDerWaalsContact C-N 3.27Å; P311-L313 PolarHBondContact O-N 3.38Å; P311-M359 HydrophobicContact CG-CB 4.14Å; P311-M359 HydrophobicContact CG-CG 3.83Å
312S96.8Very high97Very high102 Ų10252.5 Ų52.571%0.71326%0.261SS*.THydrogen-bonded Turntrans-72-19178.356.30000113.8K310K310-S312 PolarHBondContact O-N 3.01Å; K310-S312 VanDerWaalsContact O-N 3.14Å
313L96.7Very high97.1Very high46 Ų4649.3 Ų49.324%0.24125%0.249CC..  trans-86.9148.7178.5-57.1178.7000110.1F309 K310 P311 A357 G358 P391 F392F309-L313 HydrophobicContact CD2-CB 3.92Å; F309-L313 HydrophobicContact CE2-CB 4.07Å; F309-L313 WeakPolarHBondContact CE2-O 3.24Å; K310-L313 HydrophobicContact CB-CD1 4.13Å; K310-L313 HydrophobicContact CB-CG 4.11Å; K310-L313 PolarHBondContact O-N 2.93Å; P311-L313 VanDerWaalsContact C-N 3.27Å; P311-L313 PolarHBondContact O-N 3.38Å; L313-A357 WeakPolarHBondContact O-CA 3.47Å; L313-G358 PolarHBondContact O-N 2.81Å; L313-P391 HydrophobicContact CB-CG 4.18Å; L313-P391 HydrophobicContact CD2-CG 4.2Å; L313-F392 HydrophobicContact CD1-CB 4.32Å; L313-F392 HydrophobicContact CD1-CD1 3.82Å; L313-F392 HydrophobicContact CD1-CG 4.38Å
314L97.7Very high97Very high61 Ų6149.5 Ų49.532%0.31925%0.25SS..EExtended strand (participates in β ladder)trans-120.8112.3179.9-66.2170.6000109.3A357L314-A357 HydrophobicContact CD2-CB 3.72Å
315A98Very high96.8Very high0 Ų048.9 Ų48.90%025%0.246CC..EExtended strand (participates in β ladder)trans-69.8149.3166.400000110.3F285 F309 I318 R355 M356 E389 V390F285-A315 HydrophobicContact CE2-CB 4.16Å; F285-A315 HydrophobicContact CZ-CB 3.55Å; F309-A315 HydrophobicContact CE1-CB 4.19Å; F309-A315 HydrophobicContact CZ-CB 3.66Å; A315-I318 HydrophobicContact CB-CD1 3.96Å; A315-I318 HydrophobicContact CB-CG1 4.36Å; A315-R355 CarbonylContact O-C 3.53Å; A315-R355 WeakPolarHBondContact O-CA 3.45Å; A315-M356 PolarHBondContact N-O 3.24Å; A315-M356 PolarHBondContact O-N 2.97Å; A315-E389 CarbonylContact C-O 3.56Å; A315-E389 VanDerWaalsContact CA-O 3.29Å; A315-E389 WeakPolarHBondContact CA-O 3.21Å; A315-V390 HydrophobicContact CB-CG1 3.8Å
316Q97.8Very high96.5Very high80 Ų8055.7 Ų55.737%0.37428%0.282SS..EExtended strand (participates in β ladder)trans-135.1168.2-176.9-52.4-170.341.900111.1I318 K354 R355 E389Q316-I318 PolarHBondContact O-N 3.25Å; Q316-K354 WeakPolarHBondContact CA-O 3.3Å; Q316-R355 HydrophobicContact CG-CG 4.31Å; Q316-E389 PolarHBondContact N-O 3.31Å; Q316-E389 PolarHBondContact O-N 2.83Å
317K96.7Very high96.3Very high142 Ų14253.6 Ų53.662%0.61728%0.275SS*.EExtended strand (participates in β ladder)trans50.842.7176.8-58.2176.7-172.8157.30112.3E319 K354 E389K317-E319 PolarHBondContact O-N 3.13Å; K317-K354 PolarHBondContact N-O 3.19Å; K317-E389 IonicContact NZ-OE2 2.74Å; K317-E389 PolarHBondContact NZ-OE2 2.72Å
318I98.2Very high96.2Very high3 Ų354.2 Ų54.22%0.01528%0.278CS..EExtended strand (participates in β ladder)trans-80124-176.9-57.8163.7000108.2F285 I305 A315 Q316 K352 I353 M356 M386 N387 F388F285-I318 HydrophobicContact CE1-CD1 4.32Å; F285-I318 HydrophobicContact CZ-CD1 3.92Å; F285-I318 HydrophobicContact CZ-CG1 4.22Å; I305-I318 HydrophobicContact CD1-CG2 4.5Å; A315-I318 HydrophobicContact CB-CD1 3.96Å; A315-I318 HydrophobicContact CB-CG1 4.36Å; Q316-I318 PolarHBondContact O-N 3.25Å; I318-K352 CarbonylContact O-C 3.45Å; I318-K352 WeakPolarHBondContact O-CA 3.44Å; I318-I353 HydrophobicContact CB-CB 4.09Å; I318-I353 WeakPolarHBondContact CB-O 3.37Å; I318-I353 HydrophobicContact CD1-CG2 4.38Å; I318-I353 HydrophobicContact CG2-CB 4.37Å; I318-I353 PolarHBondContact N-O 2.76Å; I318-I353 VanDerWaalsContact N-O 3.11Å; I318-I353 PolarHBondContact O-N 2.84Å; I318-M356 HydrophobicContact CD1-CB 3.35Å; I318-M386 HydrophobicContact CG2-CE 3.44Å; I318-M386 VanDerWaalsContact CG2-CE 3.44Å; I318-N387 CarbonylContact C-O 3.58Å; I318-N387 VanDerWaalsContact CA-O 3.28Å; I318-N387 WeakPolarHBondContact CA-O 3.32Å; I318-F388 HydrophobicContact CG1-CB 4.24Å
319E98.1Very high96.1Very high50 Ų5053.1 Ų53.123%0.23428%0.277CS..EExtended strand (participates in β ladder)trans-138.3113.7179177.5168.1160.200109.5K317 V350 W351 K352 M386 N387K317-E319 PolarHBondContact O-N 3.13Å; E319-V350 HydrophobicContact CG-CG1 3.78Å; E319-V350 WeakPolarHBondContact OE1-CG1 3.39Å; E319-W351 CarbonylContact C-O 3.53Å; E319-W351 WeakPolarHBondContact CA-O 3.33Å; E319-K352 HydrophobicContact CB-CG 4.45Å; E319-K352 HydrophobicContact CG-CG 4.16Å; E319-K352 IonicContact OE1-NZ 2.72Å; E319-K352 VanDerWaalsContact OE2-CE 3.25Å; E319-K352 WeakPolarHBondContact OE2-CE 3.28Å; E319-K352 IonicContact OE2-NZ 3.71Å; E319-K352 PolarHBondContact OE2-NZ 3.1Å; E319-M386 CarbonylContact O-C 3.55Å; E319-M386 WeakPolarHBondContact O-CA 3.34Å; E319-N387 HydrophobicContact CB-CB 4.27Å; E319-N387 PolarHBondContact N-O 3.14Å; E319-N387 PolarHBondContact O-N 3.06Å
320V98Very high96Very high0 Ų053.2 Ų53.20%028%0.283CS..EExtended strand (participates in β ladder)trans-100.1125.1174.8-173.30000107.9I305 I322 W351 I384 M386I305-V320 HydrophobicContact CD1-CG2 4.38Å; I305-V320 HydrophobicContact CG2-CG2 4.02Å; V320-I322 HydrophobicContact CG1-CG1 4Å; V320-W351 HydrophobicContact CB-CB 4.33Å; V320-W351 HydrophobicContact CB-CE3 4.07Å; V320-W351 HydrophobicContact CG2-CE3 3.93Å; V320-W351 HydrophobicContact CG2-CZ3 4.46Å; V320-W351 PolarHBondContact N-O 2.64Å; V320-W351 PolarHBondContact O-N 2.9Å; V320-I384 HydrophobicContact CG1-CG2 3.61Å; V320-M386 HydrophobicContact CG2-CE 4.45Å; V320-M386 HydrophobicContact CG2-CG 4.06Å; V320-M386 HydrophobicContact CG2-SD 4.47Å
321R97.8Very high96Very high84 Ų8447.7 Ų47.732%0.31726%0.262SS..EExtended strand (participates in β ladder)trans-105.5117.8174.9-177.9-168.3-176.3111.34.2108.5E346 A348 I384 S385R321-E346 IonicContact CZ-OE2 2.78Å; R321-E346 IonicContact NH1-OE2 3.87Å; R321-E346 PolarHBondContact NH1-OE2 3.44Å; R321-E346 PolarHBondContact NH2-O 2.76Å; R321-E346 VanDerWaalsContact NH2-O 3.14Å; R321-E346 IonicContact NH2-OE2 3.1Å; R321-E346 PolarHBondContact NH2-OE2 3.33Å; R321-A348 HydrophobicContact CG-CB 3.84Å; R321-I384 WeakPolarHBondContact O-CA 3.28Å; R321-I384 WeakPolarHBondContact O-CG2 3.49Å; R321-S385 WeakPolarHBondContact CB-OG 3.27Å; R321-S385 PolarHBondContact N-O 3.39Å; R321-S385 PolarHBondContact O-N 3.11Å; R321-S385 VanDerWaalsContact O-N 3.16Å
322I97.3Very high96Very high4 Ų449.2 Ų49.22%0.02126%0.261CS..EExtended strand (participates in β ladder)trans-111.1107.4-178.5-54167.1000107V301 V303 V320 A348 I349 I364 I384V301-I322 HydrophobicContact CG1-CG2 3.82Å; V303-I322 HydrophobicContact CB-CD1 4.12Å; V303-I322 HydrophobicContact CG2-CD1 3.66Å; V303-I322 HydrophobicContact CG2-CG1 4.08Å; V303-I322 HydrophobicContact CG2-CG2 4.41Å; V320-I322 HydrophobicContact CG1-CG1 4Å; I322-A348 CarbonylContact O-C 3.56Å; I322-A348 VanDerWaalsContact O-CA 3.28Å; I322-A348 WeakPolarHBondContact O-CA 3.45Å; I322-I349 HydrophobicContact CB-CB 4.23Å; I322-I349 PolarHBondContact N-O 3.18Å; I322-I349 PolarHBondContact O-N 2.87Å; I322-I364 HydrophobicContact CD1-CD1 4.45Å; I322-I364 HydrophobicContact CD1-CG2 3.76Å; I322-I384 HydrophobicContact CG1-CD1 4.34Å; I322-I384 HydrophobicContact CG1-CG2 4.24Å; I322-I384 HydrophobicContact CG2-CD1 4.14Å; I322-I384 HydrophobicContact CG2-CG1 4.48Å
323P96.5Very high96Very high16 Ų1646.8 Ų46.810%0.10424%0.242CC..EExtended strand (participates in β ladder)trans-61.6145.7179.5-25.337.3000112.2W379 P382 P383P323-W379 HydrophobicContact CB-CZ2 4.44Å; P323-P382 HydrophobicContact CB-CB 4Å; P323-P382 HydrophobicContact CB-CG 3.94Å; P323-P382 HydrophobicContact CG-CB 3.86Å; P323-P382 HydrophobicContact CG-CG 4.36Å; P323-P382 WeakPolarHBondContact CG-O 3.45Å; P323-P383 WeakPolarHBondContact CG-O 3.47Å
324T95.1Very high95.9Very high5 Ų550.6 Ų50.63%0.03126%0.261CS..  trans-120.415517366.10000110Y342 N347 I349 I368 W379T324-Y342 HydrophobicContact CG2-CD2 4.45Å; T324-Y342 HydrophobicContact CG2-CE2 4.31Å; T324-Y342 WeakPolarHBondContact OG1-CE2 3.48Å; T324-N347 PolarHBondContact N-O 3.48Å; T324-N347 PolarHBondContact OG1-O 2.82Å; T324-I349 HydrophobicContact CG2-CD1 4.14Å; T324-I349 HydrophobicContact CG2-CG1 3.92Å; T324-I368 HydrophobicContact CG2-CD1 3.71Å; T324-I368 HydrophobicContact CG2-CG1 4.42Å; T324-W379 VanDerWaalsContact C-CZ2 3.47Å
325P93Very high95.7Very high4 Ų449.4 Ų49.43%0.02626%0.258CS..  trans-60.5154.3174.5-25.536.3000113.3L299 N327 T328 L370 W379L299-P325 HydrophobicContact CD2-CG 4.09Å; P325-N327 WeakPolarHBondContact CB-OD1 3.28Å; P325-N327 PolarHBondContact O-N 3.2Å; P325-T328 WeakPolarHBondContact O-CB 3.1Å; P325-T328 PolarHBondContact O-N 3.36Å; P325-T328 PolarHBondContact O-OG1 2.62Å; P325-L370 HydrophobicContact CB-CD2 3.88Å; P325-L370 HydrophobicContact CG-CD2 3.68Å; P325-W379 HydrophobicContact CB-CD2 4.2Å; P325-W379 HydrophobicContact CG-CD2 3.76Å; P325-W379 HydrophobicContact CG-CE3 3.63Å; P325-W379 HydrophobicContact CG-CG 4.46Å; P325-W379 HydrophobicContact CG-CH2 3.96Å; P325-W379 HydrophobicContact CG-CZ2 4.05Å; P325-W379 HydrophobicContact CG-CZ3 3.75Å
326L90.4Very high95.2Very high143 Ų14357.5 Ų57.575%0.74930%0.297SS*.THydrogen-bonded Turntrans-65.7-27.2178.2-65178.2000113.2T328 N347L326-T328 PolarHBondContact O-N 3.23Å; L326-N347 HydrophobicContact CD2-CB 4.32Å; L326-N347 VanDerWaalsContact CD2-ND2 3.35Å; L326-N347 WeakPolarHBondContact CD2-ND2 3.36Å
327N91.8Very high94.9Very high39 Ų3957.1 Ų57.121%0.20930%0.295CS..THydrogen-bonded Turntrans-87.422177.664.3-34.6000112.9P325 S329 L370 L371 T373P325-N327 WeakPolarHBondContact CB-OD1 3.28Å; P325-N327 PolarHBondContact O-N 3.2Å; N327-S329 PolarHBondContact O-N 2.81Å; N327-L370 WeakPolarHBondContact O-CA 3.49Å; N327-L371 HydrophobicContact CB-CB 4.38Å; N327-L371 PolarHBondContact ND2-O 2.82Å; N327-L371 PolarHBondContact O-N 2.84Å; N327-T373 HydrophobicContact CB-CG2 3.85Å
328T94.4Very high94.8Very high18 Ų1852.2 Ų52.211%0.1128%0.284CS..EExtended strand (participates in β ladder)trans-66.9122.2176.3-62.40000110.4P325 L326 V331 Y342 I368 E369P325-T328 WeakPolarHBondContact O-CB 3.1Å; P325-T328 PolarHBondContact O-N 3.36Å; P325-T328 PolarHBondContact O-OG1 2.62Å; L326-T328 PolarHBondContact O-N 3.23Å; T328-V331 HydrophobicContact CG2-CG2 3.46Å; T328-V331 VanDerWaalsContact CG2-CG2 3.46Å; T328-Y342 HydrophobicContact CG2-CE1 4.29Å; T328-Y342 HydrophobicContact CG2-CE2 4.29Å; T328-I368 HydrophobicContact CG2-CG2 3.7Å; T328-E369 WeakPolarHBondContact CA-O 3.25Å
329S93.5Very high94.7Very high66 Ų6660.3 Ų60.346%0.46232%0.32SS..EExtended strand (participates in β ladder)trans-97.8-39.1175.547.80000112.7N327 E369N327-S329 PolarHBondContact O-N 2.81Å; S329-E369 PolarHBondContact N-O 3.08Å; S329-E369 WeakPolarHBondContact OG-CB 3.46Å; S329-E369 PolarHBondContact OG-O 2.88Å; S329-E369 VanDerWaalsContact OG-O 3.08Å
330G94.4Very high94.7Very high18 Ų1859 Ų5919%0.18632%0.317CS..EExtended strand (participates in β ladder)trans-144.6149.2-176.300000111.5I368 E369G330-I368 WeakPolarHBondContact O-CA 3.32Å; G330-E369 PolarHBondContact O-N 2.77Å
331V97.2Very high94.6Very high34 Ų3466.2 Ų66.221%0.20635%0.348CS..EExtended strand (participates in β ladder)trans-138.7121.3175.7-174.70000109.9T328 V333 Y342 I349 E367 I368T328-V331 HydrophobicContact CG2-CG2 3.46Å; T328-V331 VanDerWaalsContact CG2-CG2 3.46Å; V331-V333 HydrophobicContact CG1-CG1 3.84Å; V331-Y342 HydrophobicContact CB-CD1 4.22Å; V331-Y342 HydrophobicContact CB-CD2 4.47Å; V331-Y342 HydrophobicContact CB-CG 3.96Å; V331-Y342 HydrophobicContact CG2-CD1 3.78Å; V331-Y342 HydrophobicContact CG2-CD2 3.73Å; V331-Y342 HydrophobicContact CG2-CE1 4.07Å; V331-Y342 HydrophobicContact CG2-CE2 4.05Å; V331-Y342 HydrophobicContact CG2-CG 3.59Å; V331-I349 HydrophobicContact CG1-CD1 3.68Å; V331-I349 HydrophobicContact CG1-CG1 3.89Å; V331-E367 CarbonylContact C-O 3.53Å; V331-E367 WeakPolarHBondContact CA-O 3.2Å; V331-I368 HydrophobicContact CG1-CG1 4.25Å; V331-I368 HydrophobicContact CG2-CG1 4.37Å; V331-I368 HydrophobicContact CG2-CG2 4.41Å
332Q96.6Very high94.6Very high119 Ų11964.9 Ų64.956%0.55634%0.344SS*.EExtended strand (participates in β ladder)trans-105.6128.6168.8-59.5-172.60.900108.9A366 E367Q332-A366 CarbonylContact O-C 3.57Å; Q332-A366 WeakPolarHBondContact O-CA 3.06Å; Q332-E367 HydrophobicContact CB-CB 4.42Å; Q332-E367 PolarHBondContact N-O 2.99Å; Q332-E367 PolarHBondContact O-N 3.32Å
333V96.4Very high94.5Very high51 Ų5167.8 Ų67.831%0.30936%0.356SS..EExtended strand (participates in β ladder)trans-123.1136.7-178.8-67.70000111.5V331 A340 I349 A366V331-V333 HydrophobicContact CG1-CG1 3.84Å; V333-A340 HydrophobicContact CB-CB 4.21Å; V333-A340 HydrophobicContact CG2-CB 4.03Å; V333-I349 HydrophobicContact CG1-CD1 4.02Å; V333-I349 HydrophobicContact CG1-CG1 4.32Å; V333-I349 HydrophobicContact CG1-CG2 3.94Å; V333-A366 HydrophobicContact CG1-CB 4.03Å
334I95.6Very high94.4Very high125 Ų12570 Ų7064%0.64138%0.375SS*.EExtended strand (participates in β ladder)trans-124.1114.9173.8-56.7174.9000107.6I364 S365I334-I364 WeakPolarHBondContact O-CA 3.4Å; I334-S365 PolarHBondContact N-O 3.28Å; I334-S365 PolarHBondContact O-N 3.4Å
335C93.5Very high94.3Very high36 Ų3675.2 Ų75.224%0.24341%0.412CS..EExtended strand (participates in β ladder)trans-133.4131.5172.567.70000110.9A340 I364C335-A340 HydrophobicContact CB-CB 4.42Å; C335-I364 HydrophobicContact CB-CB 4.19Å; C335-I364 HydrophobicContact CB-CD1 4.33Å; C335-I364 HydrophobicContact CB-CG1 4.04Å
336M85.8Confident94.4Very high170 Ų17078 Ų7884%0.83743%0.425SS*.SBendtrans-79-24.2178.3-67.4-64.4-7200112.9
337K92.4Very high94.6Very high72 Ų7273.6 Ų73.631%0.31340%0.402SS..SBendtrans-132.6134-175.4-168.7179.3-173.7174.40110.4W351 I353 R355 M356 S362K337-W351 PolarHBondContact O-NE1 2.92Å; K337-I353 HydrophobicContact CD-CG2 4.21Å; K337-I353 HydrophobicContact CG-CG2 4.24Å; K337-R355 WeakPolarHBondContact CE-O 3.26Å; K337-R355 PolarHBondContact NZ-O 3.02Å; K337-M356 HydrophobicContact CD-CE 4.29Å; K337-S362 VanDerWaalsContact CD-OG 3.25Å; K337-S362 WeakPolarHBondContact CD-OG 3.34Å
338G94.8Very high94.8Very high39 Ų3971.7 Ų71.740%0.40239%0.392SS..SBendtrans81.3-160.4-178.600000112.4K352G338-K352 CarbonylContact C-O 3.51Å; G338-K352 WeakPolarHBondContact CA-O 3.31Å
339K96.9Very high95Very high174 Ų17470.9 Ų70.976%0.75739%0.387SS*.EExtended strand (participates in β ladder)trans-130.2130.1177.9-64.5-174.9178.7-173.90108.9K352K339-K352 PolarHBondContact N-O 2.72Å; K339-K352 PolarHBondContact O-N 2.68Å
340A97.4Very high95.2Very high21 Ų2167.9 Ų67.917%0.17437%0.366CS..EExtended strand (participates in β ladder)trans-111.2137.3174.400000110V333 C335 I349 V350 W351 I364V333-A340 HydrophobicContact CB-CB 4.21Å; V333-A340 HydrophobicContact CG2-CB 4.03Å; C335-A340 HydrophobicContact CB-CB 4.42Å; A340-I349 HydrophobicContact CB-CG2 4.41Å; A340-V350 WeakPolarHBondContact CA-O 3.38Å; A340-W351 HydrophobicContact CB-CB 4.35Å; A340-W351 HydrophobicContact CB-CG 4.41Å; A340-I364 HydrophobicContact CB-CD1 3.41Å; A340-I364 VanDerWaalsContact CB-CD1 3.41Å
341K96.4Very high95.4Very high152 Ų15267 Ų6766%0.66136%0.357SS*.EExtended strand (participates in β ladder)trans-141.4135175.7-178.2172.3179.71780110V350K341-V350 PolarHBondContact N-O 2.92Å; K341-V350 PolarHBondContact O-N 2.75Å
342Y97.1Very high95.4Very high57 Ų5770.2 Ų70.222%0.22437%0.368CS..EExtended strand (participates in β ladder)trans-74.4133.8167.2174.4-125.4000110.7T324 T328 V331 A344 I349T324-Y342 HydrophobicContact CG2-CD2 4.45Å; T324-Y342 HydrophobicContact CG2-CE2 4.31Å; T324-Y342 WeakPolarHBondContact OG1-CE2 3.48Å; T328-Y342 HydrophobicContact CG2-CE1 4.29Å; T328-Y342 HydrophobicContact CG2-CE2 4.29Å; V331-Y342 HydrophobicContact CB-CD1 4.22Å; V331-Y342 HydrophobicContact CB-CD2 4.47Å; V331-Y342 HydrophobicContact CB-CG 3.96Å; V331-Y342 HydrophobicContact CG2-CD1 3.78Å; V331-Y342 HydrophobicContact CG2-CD2 3.73Å; V331-Y342 HydrophobicContact CG2-CE1 4.07Å; V331-Y342 HydrophobicContact CG2-CE2 4.05Å; V331-Y342 HydrophobicContact CG2-CG 3.59Å; Y342-A344 HydrophobicContact CE1-CB 3.93Å; Y342-I349 HydrophobicContact CD2-CG1 4.44Å
343K96.1Very high95.5Very high64 Ų6464.8 Ų64.828%0.27834%0.343SS..EExtended strand (participates in β ladder)trans-120.4101.1175.4-68-170.4178.5179.20109.9S345 E346 N347 A348 V350K343-S345 PolarHBondContact O-N 3.38Å; K343-E346 HydrophobicContact CB-CB 4.09Å; K343-E346 HydrophobicContact CD-CG 4.42Å; K343-E346 WeakPolarHBondContact CD-OE1 3.41Å; K343-E346 IonicContact NZ-OE1 2.79Å; K343-E346 PolarHBondContact NZ-OE1 3.38Å; K343-E346 PolarHBondContact O-N 2.79Å; K343-E346 VanDerWaalsContact O-N 3.1Å; K343-N347 PolarHBondContact O-N 3.08Å; K343-N347 VanDerWaalsContact O-N 3.08Å; K343-A348 PolarHBondContact N-O 3.16Å; K343-A348 PolarHBondContact O-N 3.47Å; K343-V350 HydrophobicContact CD-CG2 3.74Å; K343-V350 HydrophobicContact CG-CG2 4.15Å
344A93.2Very high95.5Very high62 Ų6271 Ų7151%0.51237%0.366SS..G310 helixtrans-59.5-41.5-17800000113.4Y342 E346 N347Y342-A344 HydrophobicContact CE1-CB 3.93Å; A344-E346 PolarHBondContact O-N 3.43Å; A344-N347 PolarHBondContact O-N 3.36Å; A344-N347 VanDerWaalsContact O-N 3.14Å
345S94.2Very high95.6Very high115 Ų11570.8 Ų70.880%0.80436%0.357SS*.G310 helixtrans-60.9-20.1177.861.10000114.1K343K343-S345 PolarHBondContact O-N 3.38Å
346E93.9Very high95.7Very high63 Ų6369.1 Ų69.129%0.29435%0.346SS..G310 helixtrans-110.9-4.4-177.3-72.6-173.2-127.900112.7R321 K343 A344 A348R321-E346 IonicContact CZ-OE2 2.78Å; R321-E346 IonicContact NH1-OE2 3.87Å; R321-E346 PolarHBondContact NH1-OE2 3.44Å; R321-E346 PolarHBondContact NH2-O 2.76Å; R321-E346 VanDerWaalsContact NH2-O 3.14Å; R321-E346 IonicContact NH2-OE2 3.1Å; R321-E346 PolarHBondContact NH2-OE2 3.33Å; K343-E346 HydrophobicContact CB-CB 4.09Å; K343-E346 HydrophobicContact CD-CG 4.42Å; K343-E346 WeakPolarHBondContact CD-OE1 3.41Å; K343-E346 IonicContact NZ-OE1 2.79Å; K343-E346 PolarHBondContact NZ-OE1 3.38Å; K343-E346 PolarHBondContact O-N 2.79Å; K343-E346 VanDerWaalsContact O-N 3.1Å; A344-E346 PolarHBondContact O-N 3.43Å; E346-A348 VanDerWaalsContact C-N 3.26Å; E346-A348 HydrophobicContact CB-CB 4.49Å; E346-A348 PolarHBondContact O-N 2.9Å
347N94.5Very high96.3Very high50 Ų5062 Ų6227%0.26731%0.314SS..THydrogen-bonded Turntrans43.152.5-170.8-60.9-75.1000111.8T324 L326 K343 A344T324-N347 PolarHBondContact N-O 3.48Å; T324-N347 PolarHBondContact OG1-O 2.82Å; L326-N347 HydrophobicContact CD2-CB 4.32Å; L326-N347 VanDerWaalsContact CD2-ND2 3.35Å; L326-N347 WeakPolarHBondContact CD2-ND2 3.36Å; K343-N347 PolarHBondContact O-N 3.08Å; K343-N347 VanDerWaalsContact O-N 3.08Å; A344-N347 PolarHBondContact O-N 3.36Å; A344-N347 VanDerWaalsContact O-N 3.14Å
348A96.9Very high96.5Very high0 Ų058.6 Ų58.60%030%0.299CS..EExtended strand (participates in β ladder)trans-152.9147.7-17600000113R321 I322 K343 E346R321-A348 HydrophobicContact CG-CB 3.84Å; I322-A348 CarbonylContact O-C 3.56Å; I322-A348 VanDerWaalsContact O-CA 3.28Å; I322-A348 WeakPolarHBondContact O-CA 3.45Å; K343-A348 PolarHBondContact N-O 3.16Å; K343-A348 PolarHBondContact O-N 3.47Å; E346-A348 VanDerWaalsContact C-N 3.26Å; E346-A348 HydrophobicContact CB-CB 4.49Å; E346-A348 PolarHBondContact O-N 2.9Å
349I97.9Very high96.6Very high0 Ų062.3 Ų62.30%031%0.308CS..EExtended strand (participates in β ladder)trans-86.3124.8162.4-59.9162.9000107.6I322 T324 V331 V333 A340 Y342 I364 A366 I368I322-I349 HydrophobicContact CB-CB 4.23Å; I322-I349 PolarHBondContact N-O 3.18Å; I322-I349 PolarHBondContact O-N 2.87Å; T324-I349 HydrophobicContact CG2-CD1 4.14Å; T324-I349 HydrophobicContact CG2-CG1 3.92Å; V331-I349 HydrophobicContact CG1-CD1 3.68Å; V331-I349 HydrophobicContact CG1-CG1 3.89Å; V333-I349 HydrophobicContact CG1-CD1 4.02Å; V333-I349 HydrophobicContact CG1-CG1 4.32Å; V333-I349 HydrophobicContact CG1-CG2 3.94Å; A340-I349 HydrophobicContact CB-CG2 4.41Å; Y342-I349 HydrophobicContact CD2-CG1 4.44Å; I349-I364 HydrophobicContact CG2-CD1 4.07Å; I349-A366 HydrophobicContact CD1-CB 3.49Å; I349-A366 VanDerWaalsContact CD1-CB 3.49Å; I349-I368 HydrophobicContact CD1-CD1 4.19Å; I349-I368 HydrophobicContact CD1-CG1 4.35Å
350V97.9Very high96.6Very high4 Ų459.9 Ų59.92%0.02430%0.297CS..EExtended strand (participates in β ladder)trans-106.9112.2176.8-176.80000108.8E319 A340 K341 K343 K352E319-V350 HydrophobicContact CG-CG1 3.78Å; E319-V350 WeakPolarHBondContact OE1-CG1 3.39Å; A340-V350 WeakPolarHBondContact CA-O 3.38Å; K341-V350 PolarHBondContact N-O 2.92Å; K341-V350 PolarHBondContact O-N 2.75Å; K343-V350 HydrophobicContact CD-CG2 3.74Å; K343-V350 HydrophobicContact CG-CG2 4.15Å; V350-K352 HydrophobicContact CG1-CD 4.49Å; V350-K352 HydrophobicContact CG1-CG 4.02Å
351W98.2Very high96.6Very high0 Ų063.4 Ų63.40%031%0.31CS..EExtended strand (participates in β ladder)trans-106.5110.1-179.9-179.334.5000110.8I305 E319 V320 K337 A340 I353 I364I305-W351 HydrophobicContact CD1-CH2 3.88Å; I305-W351 HydrophobicContact CD1-CZ3 3.81Å; I305-W351 HydrophobicContact CG1-CH2 3.84Å; I305-W351 HydrophobicContact CG1-CZ3 3.83Å; I305-W351 HydrophobicContact CG2-CZ3 4.08Å; E319-W351 CarbonylContact C-O 3.53Å; E319-W351 WeakPolarHBondContact CA-O 3.33Å; V320-W351 HydrophobicContact CB-CB 4.33Å; V320-W351 HydrophobicContact CB-CE3 4.07Å; V320-W351 HydrophobicContact CG2-CE3 3.93Å; V320-W351 HydrophobicContact CG2-CZ3 4.46Å; V320-W351 PolarHBondContact N-O 2.64Å; V320-W351 PolarHBondContact O-N 2.9Å; K337-W351 PolarHBondContact O-NE1 2.92Å; A340-W351 HydrophobicContact CB-CB 4.35Å; A340-W351 HydrophobicContact CB-CG 4.41Å; W351-I353 HydrophobicContact CD2-CD1 4.39Å; W351-I353 HydrophobicContact CH2-CD1 4.04Å; W351-I353 HydrophobicContact CZ2-CD1 3.62Å; W351-I353 HydrophobicContact CZ2-CG1 4.27Å; W351-I364 HydrophobicContact CB-CD1 4.04Å; W351-I364 HydrophobicContact CD2-CB 4.01Å; W351-I364 HydrophobicContact CD2-CD1 4.3Å; W351-I364 HydrophobicContact CD2-CG2 3.96Å; W351-I364 HydrophobicContact CE3-CB 3.98Å; W351-I364 HydrophobicContact CE3-CG2 3.47Å; W351-I364 VanDerWaalsContact CE3-CG2 3.47Å; W351-I364 HydrophobicContact CG-CD1 3.99Å; W351-I364 HydrophobicContact CH2-CB 4.28Å; W351-I364 HydrophobicContact CH2-CG2 4.28Å; W351-I364 HydrophobicContact CZ2-CB 4.3Å; W351-I364 HydrophobicContact CZ3-CB 4.12Å; W351-I364 HydrophobicContact CZ3-CG2 3.65Å
352K98.2Very high96.6Very high101 Ų10156.8 Ų56.844%0.43928%0.283SS..EExtended strand (participates in β ladder)trans-106.2127.2-176.6-58.8-168.6-175-130.30111.3I318 E319 G338 K339 V350I318-K352 CarbonylContact O-C 3.45Å; I318-K352 WeakPolarHBondContact O-CA 3.44Å; E319-K352 HydrophobicContact CB-CG 4.45Å; E319-K352 HydrophobicContact CG-CG 4.16Å; E319-K352 IonicContact OE1-NZ 2.72Å; E319-K352 VanDerWaalsContact OE2-CE 3.25Å; E319-K352 WeakPolarHBondContact OE2-CE 3.28Å; E319-K352 IonicContact OE2-NZ 3.71Å; E319-K352 PolarHBondContact OE2-NZ 3.1Å; G338-K352 CarbonylContact C-O 3.51Å; G338-K352 WeakPolarHBondContact CA-O 3.31Å; K339-K352 PolarHBondContact N-O 2.72Å; K339-K352 PolarHBondContact O-N 2.68Å; V350-K352 HydrophobicContact CG1-CD 4.49Å; V350-K352 HydrophobicContact CG1-CG 4.02Å
353I97.9Very high96.6Very high4 Ų457.9 Ų57.92%0.02129%0.29CS..EExtended strand (participates in β ladder)trans-120.1121.3173.3-59.6168.6000108.1I305 I318 K337 W351 R355 M356I305-I353 HydrophobicContact CD1-CD1 3.53Å; I318-I353 HydrophobicContact CB-CB 4.09Å; I318-I353 WeakPolarHBondContact CB-O 3.37Å; I318-I353 HydrophobicContact CD1-CG2 4.38Å; I318-I353 HydrophobicContact CG2-CB 4.37Å; I318-I353 PolarHBondContact N-O 2.76Å; I318-I353 VanDerWaalsContact N-O 3.11Å; I318-I353 PolarHBondContact O-N 2.84Å; K337-I353 HydrophobicContact CD-CG2 4.21Å; K337-I353 HydrophobicContact CG-CG2 4.24Å; W351-I353 HydrophobicContact CD2-CD1 4.39Å; W351-I353 HydrophobicContact CH2-CD1 4.04Å; W351-I353 HydrophobicContact CZ2-CD1 3.62Å; W351-I353 HydrophobicContact CZ2-CG1 4.27Å; I353-R355 WeakPolarHBondContact CG2-O 3.22Å; I353-R355 PolarHBondContact O-N 2.84Å; I353-M356 HydrophobicContact CD1-CE 3.96Å
354K96.7Very high96.7Very high183 Ų18354.9 Ų54.980%0.79628%0.277SS*.EExtended strand (participates in β ladder)trans-60.5-47.8-177.4-167.8-178.6178.9176.90111.6Q316 K317Q316-K354 WeakPolarHBondContact CA-O 3.3Å; K317-K354 PolarHBondContact N-O 3.19Å
355R96.9Very high96.9Very high119 Ų11954 Ų5445%0.44927%0.267SS..EExtended strand (participates in β ladder)trans-147.8147.1-178.9-52.8178.582.4-175.78.5112.4A315 Q316 K337 I353A315-R355 CarbonylContact O-C 3.53Å; A315-R355 WeakPolarHBondContact O-CA 3.45Å; Q316-R355 HydrophobicContact CG-CG 4.31Å; K337-R355 WeakPolarHBondContact CE-O 3.26Å; K337-R355 PolarHBondContact NZ-O 3.02Å; I353-R355 WeakPolarHBondContact CG2-O 3.22Å; I353-R355 PolarHBondContact O-N 2.84Å
356M97.1Very high97.1Very high1 Ų148.8 Ų48.81%0.00523%0.231CC..EExtended strand (participates in β ladder)trans-141.5128.5172.2-178.3174-81.700110.2F285 I305 A315 I318 K337 I353 K360 S362F285-M356 HydrophobicContact CE1-SD 3.85Å; I305-M356 HydrophobicContact CD1-CE 3.74Å; I305-M356 HydrophobicContact CD1-SD 4.31Å; I305-M356 HydrophobicContact CG1-CE 4.06Å; A315-M356 PolarHBondContact N-O 3.24Å; A315-M356 PolarHBondContact O-N 2.97Å; I318-M356 HydrophobicContact CD1-CB 3.35Å; K337-M356 HydrophobicContact CD-CE 4.29Å; I353-M356 HydrophobicContact CD1-CE 3.96Å; M356-K360 HydrophobicContact CG-CB 4.21Å; M356-S362 VanDerWaalsContact CE-CB 3.5Å; M356-S362 WeakPolarHBondContact CE-OG 3.42Å
357A97.7Very high97.2Very high22 Ų2249.2 Ų49.218%0.18223%0.233CC..EExtended strand (participates in β ladder)trans-73.2156.5171.600000111.3S307 L313 L314 K360S307-A357 PolarHBondContact OG-O 2.81Å; L313-A357 WeakPolarHBondContact O-CA 3.47Å; L314-A357 HydrophobicContact CD2-CB 3.72Å; A357-K360 HydrophobicContact CB-CG 4.05Å; A357-K360 WeakPolarHBondContact O-CB 3.31Å; A357-K360 WeakPolarHBondContact O-CG 3.34Å
358G97.1Very high97.3Very high0 Ų046.9 Ų46.90%022%0.22CC..THydrogen-bonded Turntrans-62.5156.5174.300000112.6F309 L313 K360F309-G358 VanDerWaalsContact CD2-CA 3.5Å; F309-G358 CarbonylContact O-C 3.52Å; F309-G358 VanDerWaalsContact O-CA 3.26Å; F309-G358 WeakPolarHBondContact O-CA 3.33Å; L313-G358 PolarHBondContact O-N 2.81Å; G358-K360 PolarHBondContact O-N 2.98Å
359M97.3Very high97.3Very high117 Ų11751.2 Ų51.258%0.57624%0.241SC*.THydrogen-bonded Turntrans55.229.1-177.5-52.6-56.6-71.700114.2S307 F309 P311S307-M359 VanDerWaalsContact O-CA 3.28Å; S307-M359 WeakPolarHBondContact O-CA 3.4Å; S307-M359 PolarHBondContact O-N 3.48Å; S307-M359 VanDerWaalsContact O-N 3.1Å; S307-M359 PolarHBondContact OG-N 3.2Å; S307-M359 VanDerWaalsContact OG-N 3.12Å; F309-M359 WeakPolarHBondContact O-CG 3.36Å; F309-M359 PolarHBondContact O-N 2.8Å; P311-M359 HydrophobicContact CG-CB 4.14Å; P311-M359 HydrophobicContact CG-CG 3.83Å
360K97Very high97.1Very high122 Ų12252.4 Ų52.453%0.5325%0.247SC..  trans-107.2161.8170.4-61.5-57.8-178.9-175.50111.9S307 M356 A357 G358S307-K360 PolarHBondContact N-O 2.99Å; S307-K360 PolarHBondContact OG-N 2.91Å; S307-K360 PolarHBondContact OG-O 3.23Å; M356-K360 HydrophobicContact CG-CB 4.21Å; A357-K360 HydrophobicContact CB-CG 4.05Å; A357-K360 WeakPolarHBondContact O-CB 3.31Å; A357-K360 WeakPolarHBondContact O-CG 3.34Å; G358-K360 PolarHBondContact O-N 2.98Å
361E96.4Very high96.7Very high96 Ų9657 Ų5745%0.44927%0.271SS..EExtended strand (participates in β ladder)trans-124149.2175.2-176.8167.9152.300109.6V304 I305 K306V304-E361 VanDerWaalsContact CG1-CD 3.47Å; V304-E361 HydrophobicContact CG1-CG 3.58Å; V304-E361 WeakPolarHBondContact CG1-OE1 3.39Å; I305-E361 CarbonylContact O-C 3.55Å; I305-E361 VanDerWaalsContact O-CA 3.32Å; I305-E361 WeakPolarHBondContact O-CA 3.29Å; K306-E361 WeakPolarHBondContact CE-OE2 3.49Å; K306-E361 HydrophobicContact CG-CB 4.48Å; K306-E361 HydrophobicContact CG-CG 4.07Å; K306-E361 IonicContact NZ-OE1 2.7Å; K306-E361 IonicContact NZ-OE2 2.64Å; K306-E361 PolarHBondContact NZ-OE2 2.5Å
362S97.1Very high96Very high13 Ų1361.8 Ų61.89%0.09130%0.302CS..EExtended strand (participates in β ladder)trans-145.4151.6165.2-64.60000109.5I305 K337 M356I305-S362 WeakPolarHBondContact CG1-O 3.46Å; I305-S362 PolarHBondContact N-O 3.18Å; I305-S362 PolarHBondContact O-N 2.84Å; K337-S362 VanDerWaalsContact CD-OG 3.25Å; K337-S362 WeakPolarHBondContact CD-OG 3.34Å; M356-S362 VanDerWaalsContact CE-CB 3.5Å; M356-S362 WeakPolarHBondContact CE-OG 3.42Å
363Q96.8Very high95.1Very high79 Ų7960.3 Ų60.337%0.36930%0.301SS..EExtended strand (participates in β ladder)trans-129.7151.3-179.766.7-179.6-12.300111.5V303 V304V303-Q363 WeakPolarHBondContact O-CA 3.39Å; V304-Q363 HydrophobicContact CG2-CB 4.1Å
364I97.8Very high93.9Very high2 Ų268.4 Ų68.41%0.0135%0.345CS..EExtended strand (participates in β ladder)trans-126.5139.1165.6-178.2171.9000108.4K302 V303 I322 I334 C335 A340 I349 W351K302-I364 WeakPolarHBondContact CA-O 3.33Å; V303-I364 HydrophobicContact CB-CG2 3.77Å; V303-I364 HydrophobicContact CG2-CG2 4.47Å; V303-I364 PolarHBondContact N-O 2.85Å; V303-I364 PolarHBondContact O-N 2.8Å; I322-I364 HydrophobicContact CD1-CD1 4.45Å; I322-I364 HydrophobicContact CD1-CG2 3.76Å; I334-I364 WeakPolarHBondContact O-CA 3.4Å; C335-I364 HydrophobicContact CB-CB 4.19Å; C335-I364 HydrophobicContact CB-CD1 4.33Å; C335-I364 HydrophobicContact CB-CG1 4.04Å; A340-I364 HydrophobicContact CB-CD1 3.41Å; A340-I364 VanDerWaalsContact CB-CD1 3.41Å; I349-I364 HydrophobicContact CG2-CD1 4.07Å; W351-I364 HydrophobicContact CB-CD1 4.04Å; W351-I364 HydrophobicContact CD2-CB 4.01Å; W351-I364 HydrophobicContact CD2-CD1 4.3Å; W351-I364 HydrophobicContact CD2-CG2 3.96Å; W351-I364 HydrophobicContact CE3-CB 3.98Å; W351-I364 HydrophobicContact CE3-CG2 3.47Å; W351-I364 VanDerWaalsContact CE3-CG2 3.47Å; W351-I364 HydrophobicContact CG-CD1 3.99Å; W351-I364 HydrophobicContact CH2-CB 4.28Å; W351-I364 HydrophobicContact CH2-CG2 4.28Å; W351-I364 HydrophobicContact CZ2-CB 4.3Å; W351-I364 HydrophobicContact CZ3-CB 4.12Å; W351-I364 HydrophobicContact CZ3-CG2 3.65Å
365S97.7Very high92.7Very high44 Ų4465.5 Ų65.531%0.30834%0.338SS..EExtended strand (participates in β ladder)trans-116.1140.1168.5-60.40000108.5V301 I334V301-S365 CarbonylContact O-C 3.52Å; V301-S365 WeakPolarHBondContact O-CA 2.98Å; I334-S365 PolarHBondContact N-O 3.28Å; I334-S365 PolarHBondContact O-N 3.4Å
366A97.5Very high91.3Very high5 Ų570 Ų704%0.04136%0.361CS..EExtended strand (participates in β ladder)trans-137.8138.7177.800000110.7E300 V301 Q332 V333 I349E300-A366 WeakPolarHBondContact CA-O 3.44Å; V301-A366 HydrophobicContact CB-CB 4.49Å; V301-A366 PolarHBondContact N-O 2.75Å; V301-A366 PolarHBondContact O-N 3.02Å; Q332-A366 CarbonylContact O-C 3.57Å; Q332-A366 WeakPolarHBondContact O-CA 3.06Å; V333-A366 HydrophobicContact CG1-CB 4.03Å; I349-A366 HydrophobicContact CD1-CB 3.49Å; I349-A366 VanDerWaalsContact CD1-CB 3.49Å
367E97.3Very high90.1Very high72 Ų7279 Ų7934%0.33640%0.4SS..EExtended strand (participates in β ladder)trans-109.2124.4167.6-57.4-162.3151.300108.2K298 V331 Q332K298-E367 WeakPolarHBondContact CE-OE2 3.43Å; K298-E367 IonicContact NZ-OE1 2.68Å; K298-E367 PolarHBondContact NZ-OE1 2.78Å; K298-E367 IonicContact NZ-OE2 2.61Å; K298-E367 PolarHBondContact NZ-OE2 3.28Å; V331-E367 CarbonylContact C-O 3.53Å; V331-E367 WeakPolarHBondContact CA-O 3.2Å; Q332-E367 HydrophobicContact CB-CB 4.42Å; Q332-E367 PolarHBondContact N-O 2.99Å; Q332-E367 PolarHBondContact O-N 3.32Å
368I96.8Very high89Confident0 Ų087.2 Ų87.20%043%0.431CS..EExtended strand (participates in β ladder)trans-118115.8-175.5-59165.7000107.3K298 L299 V301 T324 T328 G330 V331 I349 L370K298-I368 CarbonylContact C-O 3.58Å; K298-I368 WeakPolarHBondContact CA-O 3.34Å; L299-I368 HydrophobicContact CB-CB 4.18Å; L299-I368 HydrophobicContact CD2-CD1 4.11Å; L299-I368 PolarHBondContact N-O 3.33Å; L299-I368 WeakPolarHBondContact O-CB 3.45Å; L299-I368 PolarHBondContact O-N 2.83Å; V301-I368 HydrophobicContact CG2-CD1 3.78Å; T324-I368 HydrophobicContact CG2-CD1 3.71Å; T324-I368 HydrophobicContact CG2-CG1 4.42Å; T328-I368 HydrophobicContact CG2-CG2 3.7Å; G330-I368 WeakPolarHBondContact O-CA 3.32Å; V331-I368 HydrophobicContact CG1-CG1 4.25Å; V331-I368 HydrophobicContact CG2-CG1 4.37Å; V331-I368 HydrophobicContact CG2-CG2 4.41Å; I349-I368 HydrophobicContact CD1-CD1 4.19Å; I349-I368 HydrophobicContact CD1-CG1 4.35Å; I368-L370 HydrophobicContact CG2-CD2 3.83Å
369E96Very high88.2Confident91 Ų9190.7 Ų90.743%0.42545%0.445SS..EExtended strand (participates in β ladder)trans-84.3134.2175.2-66.3173.5-174.300109.6T297 T328 S329 G330T297-E369 CarbonylContact O-C 3.58Å; T297-E369 WeakPolarHBondContact O-CA 3.48Å; T328-E369 WeakPolarHBondContact CA-O 3.25Å; S329-E369 PolarHBondContact N-O 3.08Å; S329-E369 WeakPolarHBondContact OG-CB 3.46Å; S329-E369 PolarHBondContact OG-O 2.88Å; S329-E369 VanDerWaalsContact OG-O 3.08Å; G330-E369 PolarHBondContact O-N 2.77Å
370L92.9Very high87.4Confident25 Ų2589.3 Ų89.313%0.13145%0.452CS..EExtended strand (participates in β ladder)trans-116.7134.2-174.8-55.6-179000109.9T297 L299 P325 N327 I368T297-L370 PolarHBondContact O-N 3.35Å; L299-L370 HydrophobicContact CB-CD1 4.17Å; P325-L370 HydrophobicContact CB-CD2 3.88Å; P325-L370 HydrophobicContact CG-CD2 3.68Å; N327-L370 WeakPolarHBondContact O-CA 3.49Å; I368-L370 HydrophobicContact CG2-CD2 3.83Å
371L90.4Very high87Confident100 Ų10087.3 Ų87.352%0.52444%0.441SS..  trans-71.1134.7166.1-67.5170.4000109.1N327 T373N327-L371 HydrophobicContact CB-CB 4.38Å; N327-L371 PolarHBondContact ND2-O 2.82Å; N327-L371 PolarHBondContact O-N 2.84Å; L371-T373 PolarHBondContact O-N 2.86Å
372P82.5Confident86.8Confident102 Ų10285.5 Ų85.566%0.66244%0.437SS*.  trans-55.2131.8174.3-22.531.8000111T297T297-P372 HydrophobicContact CG2-CG 4.36Å
373T80.4Confident86.7Confident69 Ų6986.6 Ų86.642%0.42344%0.444SS..  trans-116.1147.4172.459.40000109.8N327 L371 D375N327-T373 HydrophobicContact CB-CG2 3.85Å; L371-T373 PolarHBondContact O-N 2.86Å; T373-D375 PolarHBondContact O-N 2.86Å
374N72.6Confident86.8Confident174 Ų17483 Ų8393%0.9343%0.427SS*.  trans-78.5-1.8174.4-73-20.3000112.6K376N374-K376 PolarHBondContact O-N 3Å
375D70.5Confident86.8Confident122 Ų12284 Ų8465%0.65244%0.435SS*.  trans-75.9121-175.3-73.1-41.2000112T373 K377T373-D375 PolarHBondContact O-N 2.86Å; D375-K377 PolarHBondContact O-N 2.87Å
376K69.2Low86.8Confident215 Ų21582 Ų8294%0.93542%0.42SS*.  trans-72.6-10.9171-65.8-175.9-179.8-1800113.1N374 K378N374-K376 PolarHBondContact O-N 3Å; K376-K378 PolarHBondContact O-N 2.84Å
377K72.3Confident86.8Confident189 Ų18985.2 Ų85.282%0.82244%0.437SS*.SBendtrans-76.7118.2-178.2-76-173.9177.7178.40109.6D375 W379D375-K377 PolarHBondContact O-N 2.87Å; K377-W379 PolarHBondContact O-N 2.83Å
378K73.7Confident86.9Confident194 Ų19482.1 Ų82.184%0.84342%0.423SS*.PPolyproline II helixtrans-56.5135.6171.1-72-173176-176.80109.5K376 A380K376-K378 PolarHBondContact O-N 2.84Å; K378-A380 PolarHBondContact O-N 2.84Å
379W80.6Confident86.9Confident74 Ų7484.6 Ų84.628%0.2843%0.434SS..PPolyproline II helixtrans-58.1121.6177.2174.649.9000110L299 P323 T324 P325 K377 R381L299-W379 HydrophobicContact CD2-CE3 4.42Å; L299-W379 HydrophobicContact CD2-CH2 4.49Å; L299-W379 HydrophobicContact CD2-CZ3 3.74Å; P323-W379 HydrophobicContact CB-CZ2 4.44Å; T324-W379 VanDerWaalsContact C-CZ2 3.47Å; P325-W379 HydrophobicContact CB-CD2 4.2Å; P325-W379 HydrophobicContact CG-CD2 3.76Å; P325-W379 HydrophobicContact CG-CE3 3.63Å; P325-W379 HydrophobicContact CG-CG 4.46Å; P325-W379 HydrophobicContact CG-CH2 3.96Å; P325-W379 HydrophobicContact CG-CZ2 4.05Å; P325-W379 HydrophobicContact CG-CZ3 3.75Å; K377-W379 PolarHBondContact O-N 2.83Å; W379-R381 HydrophobicContact CD2-CG 4.09Å; W379-R381 HydrophobicContact CE3-CB 4.44Å; W379-R381 HydrophobicContact CE3-CG 3.56Å; W379-R381 HydrophobicContact CH2-CG 4.38Å; W379-R381 HydrophobicContact CZ3-CB 4.32Å; W379-R381 HydrophobicContact CZ3-CG 3.71Å; W379-R381 PolarHBondContact O-N 2.76Å; W379-R381 VanDerWaalsContact O-N 3.08Å
380A81.1Confident87Confident88 Ų8880.4 Ų80.473%0.72742%0.415SS*.  trans-74.897.9173.500000108.2K378 P382K378-A380 PolarHBondContact O-N 2.84Å; A380-P382 WeakPolarHBondContact O-CD 3.42Å
381R87.3Confident87.2Confident80 Ų8082.3 Ų82.330%0.30243%0.429SS..  trans-66.2110.7-174.7-56.4-168.6-173.6137.53.1110.3E293 W379 C433E293-R381 IonicContact OE1-CZ 2.91Å; E293-R381 IonicContact OE1-NE 3.12Å; E293-R381 IonicContact OE1-NH2 3.94Å; E293-R381 PolarHBondContact OE1-NH2 3.27Å; W379-R381 HydrophobicContact CD2-CG 4.09Å; W379-R381 HydrophobicContact CE3-CB 4.44Å; W379-R381 HydrophobicContact CE3-CG 3.56Å; W379-R381 HydrophobicContact CH2-CG 4.38Å; W379-R381 HydrophobicContact CZ3-CB 4.32Å; W379-R381 HydrophobicContact CZ3-CG 3.71Å; W379-R381 PolarHBondContact O-N 2.76Å; W379-R381 VanDerWaalsContact O-N 3.08Å; R381-C433 PolarHBondContact NH1-OXT 2.85Å
382P92.3Very high87.5Confident57 Ų5778.9 Ų78.937%0.3741%0.409SS..PPolyproline II helixtrans-65.4148.6173.4-12.829000109P323 A380 C433P323-P382 HydrophobicContact CB-CB 4Å; P323-P382 HydrophobicContact CB-CG 3.94Å; P323-P382 HydrophobicContact CG-CB 3.86Å; P323-P382 HydrophobicContact CG-CG 4.36Å; P323-P382 WeakPolarHBondContact CG-O 3.45Å; A380-P382 WeakPolarHBondContact O-CD 3.42Å; P382-C433 PolarHBondContact O-SG 2.7Å
383P96Very high88.2Confident37 Ų3774.4 Ų74.424%0.2438%0.381CS..PPolyproline II helixtrans-65.2151.5-178.327.7-34.2000111.8P323 S385 E430 T431 R432P323-P383 WeakPolarHBondContact CG-O 3.47Å; P383-S385 PolarHBondContact O-N 3.48Å; P383-E430 HydrophobicContact CB-CB 3.99Å; P383-E430 HydrophobicContact CB-CG 4.41Å; P383-E430 HydrophobicContact CG-CB 4.22Å; P383-E430 HydrophobicContact CG-CG 4.23Å; P383-E430 VanDerWaalsContact CG-OE2 3.3Å; P383-E430 WeakPolarHBondContact CG-OE2 3.39Å; P383-T431 CarbonylContact C-O 3.6Å; P383-T431 WeakPolarHBondContact CA-O 3.39Å; P383-T431 WeakPolarHBondContact CB-O 3.45Å; P383-R432 HydrophobicContact CB-CG 4.49Å
384I97.5Very high88.9Confident2 Ų271.1 Ų71.11%0.0136%0.361CS..EExtended strand (participates in β ladder)trans-73.4123.6168.3-58.7-171000108V287 P289 V303 V320 R321 I322 E430 T431V287-I384 HydrophobicContact CG1-CG2 4.1Å; P289-I384 HydrophobicContact CB-CD1 3.69Å; V303-I384 HydrophobicContact CG1-CD1 4.31Å; V303-I384 HydrophobicContact CG2-CD1 3.56Å; V320-I384 HydrophobicContact CG1-CG2 3.61Å; R321-I384 WeakPolarHBondContact O-CA 3.28Å; R321-I384 WeakPolarHBondContact O-CG2 3.49Å; I322-I384 HydrophobicContact CG1-CD1 4.34Å; I322-I384 HydrophobicContact CG1-CG2 4.24Å; I322-I384 HydrophobicContact CG2-CD1 4.14Å; I322-I384 HydrophobicContact CG2-CG1 4.48Å; I384-E430 CarbonylContact O-C 3.58Å; I384-E430 VanDerWaalsContact O-CA 3.31Å; I384-E430 WeakPolarHBondContact O-CA 3.45Å; I384-T431 PolarHBondContact N-O 2.83Å; I384-T431 PolarHBondContact O-N 3.19Å
385S97.7Very high90Very high24 Ų2463.2 Ų63.217%0.16832%0.319CS..EExtended strand (participates in β ladder)trans-104.2143.9176.8690000111.2R321 P383 Y429R321-S385 WeakPolarHBondContact CB-OG 3.27Å; R321-S385 PolarHBondContact N-O 3.39Å; R321-S385 PolarHBondContact O-N 3.11Å; R321-S385 VanDerWaalsContact O-N 3.16Å; P383-S385 PolarHBondContact O-N 3.48Å; S385-Y429 CarbonylContact C-O 3.58Å; S385-Y429 WeakPolarHBondContact CA-O 3.49Å
386M97.8Very high91Very high1 Ų158.2 Ų58.21%0.00530%0.297CS..EExtended strand (participates in β ladder)trans-125.3125.5178.1-172.9178.6-177.100111.3F285 V287 I305 I318 E319 V320 F388 S426 Y429F285-M386 HydrophobicContact CB-CE 3.96Å; F285-M386 HydrophobicContact CB-SD 3.7Å; F285-M386 HydrophobicContact CD1-CE 3.47Å; F285-M386 VanDerWaalsContact CD1-CE 3.47Å; F285-M386 HydrophobicContact CD1-SD 4.36Å; F285-M386 HydrophobicContact CD2-CE 3.64Å; F285-M386 HydrophobicContact CD2-SD 4.14Å; F285-M386 HydrophobicContact CE1-CE 3.76Å; F285-M386 HydrophobicContact CE2-CE 3.95Å; F285-M386 HydrophobicContact CG-CE 3.39Å; F285-M386 HydrophobicContact CG-SD 3.81Å; F285-M386 HydrophobicContact CZ-CE 3.98Å; V287-M386 HydrophobicContact CG2-CB 4.31Å; V287-M386 HydrophobicContact CG2-SD 3.73Å; I305-M386 HydrophobicContact CD1-CE 4.27Å; I318-M386 HydrophobicContact CG2-CE 3.44Å; I318-M386 VanDerWaalsContact CG2-CE 3.44Å; E319-M386 CarbonylContact O-C 3.55Å; E319-M386 WeakPolarHBondContact O-CA 3.34Å; V320-M386 HydrophobicContact CG2-CE 4.45Å; V320-M386 HydrophobicContact CG2-CG 4.06Å; V320-M386 HydrophobicContact CG2-SD 4.47Å; M386-F388 HydrophobicContact CE-CD1 4.44Å; M386-F388 HydrophobicContact CG-CD1 4.08Å; M386-F388 HydrophobicContact SD-CD1 4.32Å; M386-S426 VanDerWaalsContact O-CB 3.26Å; M386-S426 WeakPolarHBondContact O-CB 3.29Å; M386-Y429 HydrophobicContact CB-CD1 3.93Å; M386-Y429 PolarHBondContact N-O 2.61Å; M386-Y429 WeakPolarHBondContact O-CB 3.34Å
387N98.4Very high92.2Very high74 Ų7448 Ų4840%0.39625%0.252SS..EExtended strand (participates in β ladder)trans-100.4140.3169.2-68.9-56.1000111.1I318 E319 S426I318-N387 CarbonylContact C-O 3.58Å; I318-N387 VanDerWaalsContact CA-O 3.28Å; I318-N387 WeakPolarHBondContact CA-O 3.32Å; E319-N387 HydrophobicContact CB-CB 4.27Å; E319-N387 PolarHBondContact N-O 3.14Å; E319-N387 PolarHBondContact O-N 3.06Å; N387-S426 VanDerWaalsContact CA-OG 3.22Å; N387-S426 WeakPolarHBondContact CA-OG 2.91Å; N387-S426 PolarHBondContact OD1-OG 2.93Å
388F98.2Very high93.2Very high7 Ų744.2 Ų44.23%0.03124%0.236CC..EExtended strand (participates in β ladder)trans-161.1165.1177.158.9-98.2000112.2V179 P284 F285 I318 M386 V390 R425 S426 Y429V179-F388 HydrophobicContact CB-CZ 4.46Å; P284-F388 HydrophobicContact CB-CE2 4.11Å; P284-F388 HydrophobicContact CB-CZ 4.34Å; P284-F388 HydrophobicContact CG-CE2 3.83Å; P284-F388 HydrophobicContact CG-CZ 4.02Å; F285-F388 HydrophobicContact CD2-CB 4.27Å; F285-F388 AromaticContact CD2-CD1 3.54Å; F285-F388 HydrophobicContact CD2-CD1 3.54Å; F285-F388 HydrophobicContact CD2-CD2 4.1Å; F285-F388 AromaticContact CD2-CE1 3.81Å; F285-F388 HydrophobicContact CD2-CE1 3.81Å; F285-F388 HydrophobicContact CD2-CE2 4.34Å; F285-F388 AromaticContact CD2-CG 3.7Å; F285-F388 HydrophobicContact CD2-CG 3.7Å; F285-F388 HydrophobicContact CD2-CZ 4.2Å; F285-F388 HydrophobicContact CE2-CB 3.65Å; F285-F388 AromaticContact CE2-CD1 3.83Å; F285-F388 HydrophobicContact CE2-CD1 3.83Å; F285-F388 AromaticContact CE2-CD2 3.82Å; F285-F388 HydrophobicContact CE2-CD2 3.82Å; F285-F388 HydrophobicContact CE2-CE1 4.43Å; F285-F388 HydrophobicContact CE2-CE2 4.43Å; F285-F388 AromaticContact CE2-CG 3.48Å; F285-F388 HydrophobicContact CE2-CG 3.48Å; F285-F388 VanDerWaalsContact CE2-CG 3.48Å; F285-F388 HydrophobicContact CZ-CB 4.43Å; I318-F388 HydrophobicContact CG1-CB 4.24Å; M386-F388 HydrophobicContact CE-CD1 4.44Å; M386-F388 HydrophobicContact CG-CD1 4.08Å; M386-F388 HydrophobicContact SD-CD1 4.32Å; F388-V390 HydrophobicContact CD2-CG1 4.02Å; F388-V390 HydrophobicContact CE2-CG1 4.45Å; F388-V390 HydrophobicContact CE2-CG2 4.44Å; F388-R425 VanDerWaalsContact O-CA 3.31Å; F388-R425 WeakPolarHBondContact O-CA 3.46Å; F388-S426 PolarHBondContact N-OG 2.91Å; F388-S426 PolarHBondContact O-N 2.74Å; F388-Y429 HydrophobicContact CE1-CD1 4.1Å; F388-Y429 AromaticContact CE1-CD2 3.69Å; F388-Y429 HydrophobicContact CE1-CD2 3.69Å; F388-Y429 HydrophobicContact CE1-CE1 4.21Å; F388-Y429 AromaticContact CE1-CE2 3.85Å; F388-Y429 HydrophobicContact CE1-CE2 3.85Å; F388-Y429 AromaticContact CE1-CG 3.81Å; F388-Y429 HydrophobicContact CE1-CG 3.81Å; F388-Y429 AromaticContact CZ-CD2 3.88Å; F388-Y429 HydrophobicContact CZ-CD2 3.88Å; F388-Y429 AromaticContact CZ-CE2 3.9Å; F388-Y429 HydrophobicContact CZ-CE2 3.9Å; F388-Y429 HydrophobicContact CZ-CG 4.45Å
389E98.4Very high94Very high52 Ų5236.4 Ų36.424%0.24320%0.204CC..EExtended strand (participates in β ladder)trans-129.2133168.3-166.8-178.8129.700109.3A315 Q316 K317 I423 G424A315-E389 CarbonylContact C-O 3.56Å; A315-E389 VanDerWaalsContact CA-O 3.29Å; A315-E389 WeakPolarHBondContact CA-O 3.21Å; Q316-E389 PolarHBondContact N-O 3.31Å; Q316-E389 PolarHBondContact O-N 2.83Å; K317-E389 IonicContact NZ-OE2 2.74Å; K317-E389 PolarHBondContact NZ-OE2 2.72Å; E389-I423 HydrophobicContact CG-CG2 3.72Å; E389-G424 CarbonylContact C-O 3.55Å; E389-G424 WeakPolarHBondContact CA-O 3.45Å
390V98Very high94.5Very high2 Ų238.2 Ų38.21%0.01221%0.211CC..EExtended strand (participates in β ladder)trans-128.7141.2178.5-66.40000111.2P284 F285 F309 A315 F388 F392 P394 G424P284-V390 HydrophobicContact CB-CG1 4.06Å; P284-V390 HydrophobicContact CB-CG2 4.5Å; P284-V390 HydrophobicContact CG-CG2 4.24Å; F285-V390 HydrophobicContact CE2-CG1 4.23Å; F309-V390 HydrophobicContact CE1-CG1 4.32Å; A315-V390 HydrophobicContact CB-CG1 3.8Å; F388-V390 HydrophobicContact CD2-CG1 4.02Å; F388-V390 HydrophobicContact CE2-CG1 4.45Å; F388-V390 HydrophobicContact CE2-CG2 4.44Å; V390-F392 HydrophobicContact CB-CD1 3.71Å; V390-F392 HydrophobicContact CB-CE1 3.45Å; V390-F392 VanDerWaalsContact CB-CE1 3.45Å; V390-F392 HydrophobicContact CB-CZ 4.21Å; V390-F392 HydrophobicContact CG1-CE1 3.94Å; V390-F392 HydrophobicContact CG2-CD1 3.84Å; V390-F392 HydrophobicContact CG2-CE1 3.56Å; V390-F392 HydrophobicContact CG2-CE2 4.37Å; V390-F392 HydrophobicContact CG2-CG 4.37Å; V390-F392 HydrophobicContact CG2-CZ 3.85Å; V390-F392 PolarHBondContact O-N 2.86Å; V390-P394 HydrophobicContact CG2-CG 4.38Å; V390-G424 WeakPolarHBondContact CG2-O 3.43Å; V390-G424 PolarHBondContact N-O 3.1Å; V390-G424 PolarHBondContact O-N 3.04Å
391P96.7Very high95Very high65 Ų6537.4 Ų37.442%0.42219%0.19SC..SBendtrans-86.143.7-174.336.8-38.3000112.7L313 Y422L313-P391 HydrophobicContact CB-CG 4.18Å; L313-P391 HydrophobicContact CD2-CG 4.2Å; P391-Y422 CarbonylContact C-O 3.5Å
392F96.5Very high95.3Very high28 Ų2834.4 Ų34.412%0.12318%0.179CC..SBendtrans-152.5161.1176.967.3-90.3000110.1I282 P284 F309 L313 V390 P394 G424I282-F392 HydrophobicContact CB-CE2 4.41Å; I282-F392 HydrophobicContact CG2-CE2 4.14Å; I282-F392 HydrophobicContact CG2-CZ 4.47Å; P284-F392 HydrophobicContact CB-CZ 3.93Å; P284-F392 HydrophobicContact CG-CE2 4.39Å; P284-F392 HydrophobicContact CG-CZ 3.87Å; F309-F392 HydrophobicContact CB-CE1 3.67Å; F309-F392 HydrophobicContact CB-CZ 3.75Å; F309-F392 HydrophobicContact CD1-CE1 4.12Å; F309-F392 HydrophobicContact CD1-CZ 4.36Å; F309-F392 HydrophobicContact CD2-CE1 4.2Å; F309-F392 AromaticContact CG-CE1 3.75Å; F309-F392 HydrophobicContact CG-CE1 3.75Å; F309-F392 HydrophobicContact CG-CZ 4.17Å; L313-F392 HydrophobicContact CD1-CB 4.32Å; L313-F392 HydrophobicContact CD1-CD1 3.82Å; L313-F392 HydrophobicContact CD1-CG 4.38Å; V390-F392 HydrophobicContact CB-CD1 3.71Å; V390-F392 HydrophobicContact CB-CE1 3.45Å; V390-F392 VanDerWaalsContact CB-CE1 3.45Å; V390-F392 HydrophobicContact CB-CZ 4.21Å; V390-F392 HydrophobicContact CG1-CE1 3.94Å; V390-F392 HydrophobicContact CG2-CD1 3.84Å; V390-F392 HydrophobicContact CG2-CE1 3.56Å; V390-F392 HydrophobicContact CG2-CE2 4.37Å; V390-F392 HydrophobicContact CG2-CG 4.37Å; V390-F392 HydrophobicContact CG2-CZ 3.85Å; V390-F392 PolarHBondContact O-N 2.86Å; F392-P394 HydrophobicContact CD2-CG 4.45Å; F392-P394 HydrophobicContact CE2-CB 4.39Å; F392-P394 HydrophobicContact CE2-CG 4.13Å; F392-P394 VanDerWaalsContact O-CD 3.24Å; F392-P394 WeakPolarHBondContact O-CD 3.26Å; F392-G424 WeakPolarHBondContact O-CA 3.45Å; F392-G424 PolarHBondContact O-N 3.14Å
393A96.4Very high95.4Very high8 Ų836.9 Ų36.97%0.06618%0.184CC..  trans-83.4111.2171.600000110.3V175 E177 S395 G396 Y422V175-A393 HydrophobicContact CG1-CB 4.4Å; E177-A393 HydrophobicContact CG-CB 4.39Å; E177-A393 VanDerWaalsContact OE2-CA 3.28Å; E177-A393 WeakPolarHBondContact OE2-CA 3.45Å; E177-A393 WeakPolarHBondContact OE2-CB 3.32Å; A393-S395 PolarHBondContact O-N 3.39Å; A393-G396 PolarHBondContact O-N 3.03Å; A393-Y422 HydrophobicContact CB-CD1 3.86Å
394P96Very high95.4Very high0 Ų035.2 Ų35.20%017%0.174CC..THydrogen-bonded Turntrans-57.8-23.7177.7-30.242.4000115.2E177 V179 V194 I282 P284 V390 F392 G396E177-P394 WeakPolarHBondContact OE2-CD 3.38Å; V179-P394 HydrophobicContact CG2-CB 3.44Å; V179-P394 VanDerWaalsContact CG2-CB 3.44Å; V179-P394 HydrophobicContact CG2-CG 3.35Å; V194-P394 HydrophobicContact CG2-CB 4.04Å; I282-P394 PolarHBondContact N-O 2.78Å; P284-P394 HydrophobicContact CG-CG 4.27Å; V390-P394 HydrophobicContact CG2-CG 4.38Å; F392-P394 HydrophobicContact CD2-CG 4.45Å; F392-P394 HydrophobicContact CE2-CB 4.39Å; F392-P394 HydrophobicContact CE2-CG 4.13Å; F392-P394 VanDerWaalsContact O-CD 3.24Å; F392-P394 WeakPolarHBondContact O-CD 3.26Å; P394-G396 VanDerWaalsContact C-N 3.27Å; P394-G396 PolarHBondContact O-N 3.25Å
395S94.8Very high95.3Very high8 Ų840.6 Ų40.66%0.05620%0.197CC..THydrogen-bonded Turntrans-74.6-15.4173.774.10000114E177 I239 A393 L397E177-S395 VanDerWaalsContact CD-OG 3.22Å; E177-S395 WeakPolarHBondContact OE1-CB 3.42Å; E177-S395 PolarHBondContact OE1-OG 3.39Å; E177-S395 WeakPolarHBondContact OE2-CB 3.5Å; E177-S395 PolarHBondContact OE2-N 2.82Å; E177-S395 PolarHBondContact OE2-OG 3.3Å; I239-S395 VanDerWaalsContact CD1-CB 3.49Å; I239-S395 VanDerWaalsContact CD1-OG 3.3Å; I239-S395 WeakPolarHBondContact CD1-OG 3.47Å; A393-S395 PolarHBondContact O-N 3.39Å; S395-L397 VanDerWaalsContact C-N 3.29Å; S395-L397 VanDerWaalsContact OG-CB 3.32Å; S395-L397 WeakPolarHBondContact OG-CB 3.37Å; S395-L397 PolarHBondContact OG-N 3.3Å
396G92.6Very high95.3Very high17 Ų1739.6 Ų39.618%0.17519%0.19CC..  trans78.38.2-169.200000114.5N215 A393 P394 K398N215-G396 PolarHBondContact ND2-O 2.79Å; A393-G396 PolarHBondContact O-N 3.03Å; P394-G396 VanDerWaalsContact C-N 3.27Å; P394-G396 PolarHBondContact O-N 3.25Å; G396-K398 PolarHBondContact O-N 2.76Å
397L93.5Very high95Very high2 Ų243.5 Ų43.51%0.0122%0.215CC..  trans-56.9132.7173.5-172.6139.9000110.8V175 M214 N215 I239 I241 Y275 S395 Y422V175-L397 HydrophobicContact CG1-CD2 3.81Å; V175-L397 HydrophobicContact CG2-CD2 4.14Å; M214-L397 HydrophobicContact CB-CD1 4.47Å; M214-L397 HydrophobicContact SD-CD1 3.7Å; N215-L397 WeakPolarHBondContact OD1-CA 3.37Å; I239-L397 HydrophobicContact CD1-CB 3.88Å; I239-L397 HydrophobicContact CD1-CD1 4.24Å; I241-L397 HydrophobicContact CD1-CD1 4.49Å; Y275-L397 HydrophobicContact CD2-CD1 4.34Å; Y275-L397 HydrophobicContact CE1-CD1 4Å; Y275-L397 HydrophobicContact CE2-CB 4.5Å; Y275-L397 HydrophobicContact CE2-CD1 3.81Å; S395-L397 VanDerWaalsContact C-N 3.29Å; S395-L397 VanDerWaalsContact OG-CB 3.32Å; S395-L397 WeakPolarHBondContact OG-CB 3.37Å; S395-L397 PolarHBondContact OG-N 3.3Å; L397-Y422 HydrophobicContact CD2-CE1 4.49Å; L397-Y422 VanDerWaalsContact O-CE1 3.27Å; L397-Y422 WeakPolarHBondContact O-CE1 3.48Å
398K92.8Very high94.7Very high108 Ų10847.1 Ų47.147%0.4723%0.228SC..  trans-133.6131.8174.9-67.5178.5-173.9168.80109.2M214 N215 G396 R400M214-K398 WeakPolarHBondContact CA-O 3.5Å; N215-K398 PolarHBondContact N-O 3.42Å; N215-K398 VanDerWaalsContact N-O 3.12Å; N215-K398 PolarHBondContact OD1-N 3.08Å; N215-K398 PolarHBondContact OD1-O 2.84Å; G396-K398 PolarHBondContact O-N 2.76Å; K398-R400 PolarHBondContact O-N 2.86Å
399V92.2Very high94.5Very high30 Ų3051.4 Ų51.418%0.18225%0.25CS..EExtended strand (participates in β ladder)trans-67114.9166.7-177.50000108L173 V175 F212 V420 Y422L173-V399 HydrophobicContact CD1-CG1 4.36Å; L173-V399 HydrophobicContact CD1-CG2 4.45Å; V175-V399 HydrophobicContact CG2-CG2 4.16Å; F212-V399 HydrophobicContact CD2-CG1 4.13Å; F212-V399 HydrophobicContact CE2-CB 4.13Å; F212-V399 HydrophobicContact CE2-CG1 3.6Å; F212-V399 HydrophobicContact CE2-CG2 3.61Å; F212-V399 HydrophobicContact CZ-CG2 3.97Å; V399-V420 HydrophobicContact CB-CG2 4.41Å; V399-V420 HydrophobicContact CG2-CG2 3.82Å; V399-Y422 PolarHBondContact N-OH 2.87Å
400R90.1Very high94.1Very high112 Ų11256 Ų5642%0.42328%0.277SS..EExtended strand (participates in β ladder)trans-80.7-43176.2-74.6-176.365.8-169.7-1.6111.1G213 M214 N215 K398G213-R400 PolarHBondContact O-N 2.91Å; M214-R400 WeakPolarHBondContact O-CD 3.49Å; N215-R400 HydrophobicContact CB-CG 4.28Å; K398-R400 PolarHBondContact O-N 2.86Å
401Y91.2Very high94Very high71 Ų7156.8 Ų56.828%0.27828%0.279SS..EExtended strand (participates in β ladder)trans-156.6152.9177.460.9-98.4000110.7K211 G213 K403K211-Y401 HydrophobicContact CB-CE2 4.37Å; G213-Y401 PolarHBondContact N-O 2.88Å; G213-Y401 PolarHBondContact O-N 2.83Å; Y401-K403 HydrophobicContact CD2-CD 4.5Å; Y401-K403 HydrophobicContact CD2-CG 3.99Å
402L93.8Very high93.9Very high17 Ų1755.5 Ų55.59%0.08927%0.272CS..EExtended strand (participates in β ladder)trans-132.5108.7164.3174.861.3000106.3L171 L173 K211 F212 K418L171-L402 HydrophobicContact CB-CD2 4.19Å; L171-L402 HydrophobicContact CD1-CD2 3.57Å; L171-L402 HydrophobicContact CD1-CG 4.15Å; L173-L402 HydrophobicContact CD1-CB 4.45Å; L173-L402 HydrophobicContact CD1-CD2 3.62Å; L173-L402 HydrophobicContact CD1-CG 4.47Å; L173-L402 HydrophobicContact CG-CD2 4.06Å; K211-L402 CarbonylContact O-C 3.47Å; K211-L402 WeakPolarHBondContact O-CA 3.32Å; F212-L402 HydrophobicContact CB-CD1 4.34Å; F212-L402 HydrophobicContact CD2-CD1 4.45Å; L402-K418 HydrophobicContact CD2-CG 4.41Å; L402-K418 WeakPolarHBondContact O-CD 3.4Å; L402-K418 WeakPolarHBondContact O-CE 3.32Å; L402-K418 PolarHBondContact O-NZ 3.41Å
403K94.9Very high93.6Very high109 Ų10956.4 Ų56.447%0.47428%0.278SS..EExtended strand (participates in β ladder)trans-99.1147.4176.7-58.1-171.2178.2-172.60110.4C210 K211 Y401 D413C210-K403 CarbonylContact C-O 3.6Å; C210-K403 WeakPolarHBondContact CA-O 3.49Å; K211-K403 HydrophobicContact CB-CB 4.26Å; K211-K403 PolarHBondContact N-O 2.81Å; K211-K403 PolarHBondContact O-N 2.81Å; Y401-K403 HydrophobicContact CD2-CD 4.5Å; Y401-K403 HydrophobicContact CD2-CG 3.99Å; K403-D413 VanDerWaalsContact C-OD1 3.27Å; K403-D413 WeakPolarHBondContact CA-OD1 3.16Å; K403-D413 WeakPolarHBondContact CB-OD2 3.33Å; K403-D413 WeakPolarHBondContact CG-OD2 3.44Å
404V96.5Very high93.4Very high3 Ų364.4 Ų64.42%0.01831%0.314CS..EExtended strand (participates in β ladder)trans-140.3131.1-177.5-172.10000107.1L171 L204 P208 Y411 S412 D413 V416L171-V404 HydrophobicContact CD1-CG2 3.46Å; L171-V404 VanDerWaalsContact CD1-CG2 3.46Å; L204-V404 HydrophobicContact CD1-CG1 3.93Å; P208-V404 HydrophobicContact CB-CG1 3.92Å; V404-Y411 HydrophobicContact CG1-CE2 4.08Å; V404-S412 CarbonylContact O-C 3.58Å; V404-D413 PolarHBondContact N-OD1 2.76Å; V404-D413 PolarHBondContact O-N 3.44Å; V404-D413 VanDerWaalsContact O-N 3.16Å; V404-V416 HydrophobicContact CB-CG2 4.16Å; V404-V416 HydrophobicContact CG1-CG2 3.99Å; V404-V416 HydrophobicContact CG2-CG1 4.32Å
405F95.7Very high93.4Very high115 Ų11568.6 Ų68.650%0.50434%0.336SS..EExtended strand (participates in β ladder)trans-142.5124.1178.3-178.7-109000109.3P208 E209 P407P208-F405 WeakPolarHBondContact CA-O 3.39Å; E209-F405 PolarHBondContact N-O 2.86Å; E209-F405 PolarHBondContact O-N 2.92Å; F405-P407 HydrophobicContact CD1-CB 4.47Å; F405-P407 HydrophobicContact CD1-CG 4.31Å; F405-P407 HydrophobicContact CE1-CB 3.62Å; F405-P407 HydrophobicContact CE1-CG 3.84Å; F405-P407 HydrophobicContact CZ-CB 3.88Å
406E96Very high93.5Very high3 Ų368.7 Ų68.71%0.01434%0.336CS..BIsolated β-bridgetrans-123.596.4173.8175.250.2-103.500109.6M207 P208 K408 L409 N410 Y411M207-E406 VanDerWaalsContact CA-OE2 3.23Å; M207-E406 WeakPolarHBondContact CA-OE2 3.4Å; M207-E406 PolarHBondContact N-OE2 3.13Å; P208-E406 WeakPolarHBondContact CA-OE2 3.47Å; P208-E406 HydrophobicContact CB-CB 4.2Å; E406-K408 PolarHBondContact O-N 2.96Å; E406-K408 VanDerWaalsContact OE1-CB 3.32Å; E406-K408 WeakPolarHBondContact OE1-CB 3.41Å; E406-K408 PolarHBondContact OE1-N 3.49Å; E406-L409 HydrophobicContact CG-CB 3.75Å; E406-L409 HydrophobicContact CG-CD1 4.29Å; E406-L409 HydrophobicContact CG-CG 4.06Å; E406-N410 WeakPolarHBondContact O-CA 3.19Å; E406-N410 PolarHBondContact O-N 2.82Å; E406-Y411 HydrophobicContact CB-CD1 3.71Å; E406-Y411 HydrophobicContact CB-CD2 4.19Å; E406-Y411 HydrophobicContact CB-CE1 3.36Å; E406-Y411 HydrophobicContact CB-CE2 3.86Å; E406-Y411 HydrophobicContact CB-CG 4.1Å; E406-Y411 VanDerWaalsContact CB-CZ 3.41Å; E406-Y411 HydrophobicContact CG-CD1 3.9Å; E406-Y411 HydrophobicContact CG-CE1 3.45Å; E406-Y411 VanDerWaalsContact CG-CE1 3.45Å; E406-Y411 PolarHBondContact N-O 2.82Å; E406-Y411 PolarHBondContact O-N 2.84Å
407P91.3Very high93.7Very high82 Ų8270.2 Ų70.253%0.53234%0.34SS..THydrogen-bonded Turntrans-68.7-33.2-176.324.9-31.1000113.1F405 N410F405-P407 HydrophobicContact CD1-CB 4.47Å; F405-P407 HydrophobicContact CD1-CG 4.31Å; F405-P407 HydrophobicContact CE1-CB 3.62Å; F405-P407 HydrophobicContact CE1-CG 3.84Å; F405-P407 HydrophobicContact CZ-CB 3.88Å; P407-N410 PolarHBondContact O-N 2.88Å
408K93.1Very high93.8Very high151 Ų15173.6 Ų73.666%0.65736%0.355SS*.THydrogen-bonded Turntrans-71.2-34.3-175-64.9-176.3178.2-178.70112E162 E406E162-K408 IonicContact OE1-NZ 3.84Å; E162-K408 PolarHBondContact OE1-NZ 3.31Å; E162-K408 VanDerWaalsContact OE1-NZ 3.1Å; E406-K408 PolarHBondContact O-N 2.96Å; E406-K408 VanDerWaalsContact OE1-CB 3.32Å; E406-K408 WeakPolarHBondContact OE1-CB 3.41Å; E406-K408 PolarHBondContact OE1-N 3.49Å
409L93Very high94.1Very high96 Ų9675.7 Ų75.750%0.50336%0.36SS..THydrogen-bonded Turntrans-102.94.4179.5-57.6177.7000113E406 Y411E406-L409 HydrophobicContact CG-CB 3.75Å; E406-L409 HydrophobicContact CG-CD1 4.29Å; E406-L409 HydrophobicContact CG-CG 4.06Å; L409-Y411 VanDerWaalsContact C-N 3.32Å; L409-Y411 HydrophobicContact CB-CD1 3.92Å; L409-Y411 HydrophobicContact CB-CE1 4.23Å; L409-Y411 HydrophobicContact CD1-CE1 4.26Å; L409-Y411 PolarHBondContact O-N 2.83Å
410N91.4Very high94.3Very high150 Ų15077.7 Ų77.780%0.80237%0.372SS*.THydrogen-bonded Turntrans52.543.8176.7-162.936.8000113.9E406 P407E406-N410 WeakPolarHBondContact O-CA 3.19Å; E406-N410 PolarHBondContact O-N 2.82Å; P407-N410 PolarHBondContact O-N 2.88Å
411Y95.2Very high94.6Very high17 Ų1778.6 Ų78.67%0.06738%0.375CS..BIsolated β-bridgetrans-121.5151.2170.680.9-103000111.3S205 P208 V404 E406 L409 D415 V416S205-Y411 PolarHBondContact N-OH 3Å; S205-Y411 VanDerWaalsContact O-CE1 3.27Å; S205-Y411 WeakPolarHBondContact O-CE1 3.31Å; S205-Y411 PolarHBondContact O-OH 2.84Å; P208-Y411 WeakPolarHBondContact CB-OH 3.32Å; V404-Y411 HydrophobicContact CG1-CE2 4.08Å; E406-Y411 HydrophobicContact CB-CD1 3.71Å; E406-Y411 HydrophobicContact CB-CD2 4.19Å; E406-Y411 HydrophobicContact CB-CE1 3.36Å; E406-Y411 HydrophobicContact CB-CE2 3.86Å; E406-Y411 HydrophobicContact CB-CG 4.1Å; E406-Y411 VanDerWaalsContact CB-CZ 3.41Å; E406-Y411 HydrophobicContact CG-CD1 3.9Å; E406-Y411 HydrophobicContact CG-CE1 3.45Å; E406-Y411 VanDerWaalsContact CG-CE1 3.45Å; E406-Y411 PolarHBondContact N-O 2.82Å; E406-Y411 PolarHBondContact O-N 2.84Å; L409-Y411 VanDerWaalsContact C-N 3.32Å; L409-Y411 HydrophobicContact CB-CD1 3.92Å; L409-Y411 HydrophobicContact CB-CE1 4.23Å; L409-Y411 HydrophobicContact CD1-CE1 4.26Å; L409-Y411 PolarHBondContact O-N 2.83Å; Y411-D415 WeakPolarHBondContact CA-OD2 3.46Å; Y411-D415 HydrophobicContact CD2-CB 4.38Å; Y411-V416 HydrophobicContact CD2-CG2 3.8Å; Y411-V416 HydrophobicContact CE2-CG2 3.68Å
412S94Very high94.9Very high39 Ų3977.9 Ų77.927%0.27337%0.372SS..  trans-136.3-166.4-170.172.50000111.8V404 H414 D415V404-S412 CarbonylContact O-C 3.58Å; S412-H414 PolarHBondContact O-N 2.99Å; S412-H414 VanDerWaalsContact O-N 3.12Å; S412-D415 PolarHBondContact N-OD2 2.77Å; S412-D415 PolarHBondContact O-N 2.77Å; S412-D415 PolarHBondContact OG-OD2 2.88Å
413D91.1Very high95.1Very high46 Ų4678 Ų7825%0.24637%0.373CS..G310 helixtrans-52-34.2-179-84-28.6000115.4K403 V404 D415 K418K403-D413 VanDerWaalsContact C-OD1 3.27Å; K403-D413 WeakPolarHBondContact CA-OD1 3.16Å; K403-D413 WeakPolarHBondContact CB-OD2 3.33Å; K403-D413 WeakPolarHBondContact CG-OD2 3.44Å; V404-D413 PolarHBondContact N-OD1 2.76Å; V404-D413 PolarHBondContact O-N 3.44Å; V404-D413 VanDerWaalsContact O-N 3.16Å; D413-D415 VanDerWaalsContact C-N 3.32Å; D413-K418 VanDerWaalsContact CG-NZ 3.32Å; D413-K418 PolarHBondContact O-NZ 2.84Å; D413-K418 IonicContact OD1-NZ 2.96Å; D413-K418 PolarHBondContact OD1-NZ 2.86Å
414H92.5Very high95.3Very high177 Ų17772.8 Ų72.882%0.81935%0.35SS*.G310 helixtrans-77.9-20.1-176.5-61.5-72.6000112.9S412 V416S412-H414 PolarHBondContact O-N 2.99Å; S412-H414 VanDerWaalsContact O-N 3.12Å; H414-V416 VanDerWaalsContact C-N 3.35Å
415D95.5Very high95.3Very high87 Ų8777.5 Ų77.547%0.46537%0.368SS..G310 helixtrans-93-0.1-177.6-51.1-64000112.4Y411 S412 D413Y411-D415 WeakPolarHBondContact CA-OD2 3.46Å; Y411-D415 HydrophobicContact CD2-CB 4.38Å; S412-D415 PolarHBondContact N-OD2 2.77Å; S412-D415 PolarHBondContact O-N 2.77Å; S412-D415 PolarHBondContact OG-OD2 2.88Å; D413-D415 VanDerWaalsContact C-N 3.32Å
416V96.9Very high95.4Very high10 Ų1072.8 Ų72.86%0.06135%0.349CS..EExtended strand (participates in β ladder)trans-120124.4-175.1-177.30000110.2N169 L171 L204 V404 Y411 H414 K418N169-V416 HydrophobicContact CB-CB 4.47Å; N169-V416 HydrophobicContact CB-CG1 4.47Å; N169-V416 HydrophobicContact CB-CG2 3.92Å; N169-V416 WeakPolarHBondContact O-CA 3.22Å; L171-V416 HydrophobicContact CD1-CG1 4.18Å; L171-V416 HydrophobicContact CG-CG1 4Å; L204-V416 HydrophobicContact CD2-CG1 3.7Å; L204-V416 HydrophobicContact CD2-CG2 4.11Å; V404-V416 HydrophobicContact CB-CG2 4.16Å; V404-V416 HydrophobicContact CG1-CG2 3.99Å; V404-V416 HydrophobicContact CG2-CG1 4.32Å; Y411-V416 HydrophobicContact CD2-CG2 3.8Å; Y411-V416 HydrophobicContact CE2-CG2 3.68Å; H414-V416 VanDerWaalsContact C-N 3.35Å; V416-K418 HydrophobicContact CG1-CG 4.16Å
417I97Very high95.4Very high50 Ų5074 Ų7426%0.25636%0.362SS..EExtended strand (participates in β ladder)trans-83.9132.3172.9-66.3159.3000109.6R168 N169 E170 L171 W419R168-I417 HydrophobicContact CG-CD1 4.43Å; N169-I417 PolarHBondContact O-N 2.94Å; E170-I417 CarbonylContact C-O 3.57Å; E170-I417 WeakPolarHBondContact CA-O 3.07Å; E170-I417 HydrophobicContact CG-CB 4.31Å; L171-I417 PolarHBondContact N-O 2.98Å; I417-W419 VanDerWaalsContact CG2-NE1 3.3Å
418K96.6Very high95.6Very high72 Ų7275.3 Ų75.331%0.31336%0.364SS..EExtended strand (participates in β ladder)trans-124.5127-173.6-59.8163.1-168.7175.90109.3L171 L402 D413 V416L171-K418 HydrophobicContact CB-CG 4.43Å; L171-K418 CarbonylContact O-C 3.56Å; L171-K418 WeakPolarHBondContact O-CA 3.41Å; L402-K418 HydrophobicContact CD2-CG 4.41Å; L402-K418 WeakPolarHBondContact O-CD 3.4Å; L402-K418 WeakPolarHBondContact O-CE 3.32Å; L402-K418 PolarHBondContact O-NZ 3.41Å; D413-K418 VanDerWaalsContact CG-NZ 3.32Å; D413-K418 PolarHBondContact O-NZ 2.84Å; D413-K418 IonicContact OD1-NZ 2.96Å; D413-K418 PolarHBondContact OD1-NZ 2.86Å; V416-K418 HydrophobicContact CG1-CG 4.16Å
419W97.3Very high95.9Very high153 Ų15368.3 Ų68.358%0.5833%0.333SS*.EExtended strand (participates in β ladder)trans-115.9143.4174.5-63.691.9000109.8L171 F172 L173 I417L171-W419 PolarHBondContact O-N 3.05Å; F172-W419 HydrophobicContact CD1-CB 3.65Å; F172-W419 AromaticContact CD1-CD1 3.54Å; F172-W419 AromaticContact CD1-CG 3.74Å; F172-W419 HydrophobicContact CD1-CG 3.74Å; F172-W419 HydrophobicContact CE1-CB 4.2Å; F172-W419 AromaticContact CE1-CD1 3.21Å; F172-W419 AromaticContact CE1-CG 3.75Å; F172-W419 HydrophobicContact CE1-CG 3.75Å; F172-W419 AromaticContact CE1-NE1 3.73Å; F172-W419 HydrophobicContact CG-CB 4.4Å; F172-W419 AromaticContact CZ-CD1 3.85Å; L173-W419 PolarHBondContact N-O 2.93Å; I417-W419 VanDerWaalsContact CG2-NE1 3.3Å
420V97Very high96.1Very high72 Ų7266.7 Ų66.744%0.43632%0.323SS..EExtended strand (participates in β ladder)trans-134.3136.9170.963.40000109.9L173 V175 V399 Y422L173-V420 HydrophobicContact CB-CB 4.41Å; L173-V420 HydrophobicContact CB-CG2 4.22Å; L173-V420 CarbonylContact O-C 3.54Å; L173-V420 VanDerWaalsContact O-CA 3.29Å; L173-V420 WeakPolarHBondContact O-CA 3.48Å; V175-V420 HydrophobicContact CG2-CG2 4.41Å; V399-V420 HydrophobicContact CB-CG2 4.41Å; V399-V420 HydrophobicContact CG2-CG2 3.82Å; V420-Y422 HydrophobicContact CG1-CE2 4.16Å; V420-Y422 HydrophobicContact CG2-CD2 4.41Å; V420-Y422 HydrophobicContact CG2-CE1 4.48Å; V420-Y422 HydrophobicContact CG2-CE2 3.72Å
421R96.8Very high96.3Very high131 Ų13159.6 Ų59.649%0.49429%0.285SS..EExtended strand (participates in β ladder)trans-132.8141.4176167.7179.5166.1-151.96109.2L173 D174 V175 I423L173-R421 PolarHBondContact O-N 3.12Å; D174-R421 WeakPolarHBondContact OD1-CB 3.44Å; D174-R421 WeakPolarHBondContact OD1-CD 3.26Å; D174-R421 IonicContact OD1-NH1 3.97Å; D174-R421 IonicContact OD2-NH1 2.88Å; V175-R421 PolarHBondContact N-O 2.97Å; R421-I423 HydrophobicContact CG-CD1 4.48Å; R421-I423 HydrophobicContact CG-CG1 3.97Å
422Y97.8Very high96.3Very high55 Ų5564.8 Ų64.822%0.21631%0.305CS..EExtended strand (participates in β ladder)trans-115.1129.2177.8-59.7-92.1000109.4V175 P391 A393 L397 V399 V420V175-Y422 HydrophobicContact CB-CD1 3.61Å; V175-Y422 HydrophobicContact CB-CE1 4Å; V175-Y422 HydrophobicContact CB-CG 4.39Å; V175-Y422 HydrophobicContact CG1-CD1 3.84Å; V175-Y422 HydrophobicContact CG1-CE1 4.22Å; V175-Y422 HydrophobicContact CG2-CD1 3.92Å; V175-Y422 HydrophobicContact CG2-CE1 3.77Å; P391-Y422 CarbonylContact C-O 3.5Å; A393-Y422 HydrophobicContact CB-CD1 3.86Å; L397-Y422 HydrophobicContact CD2-CE1 4.49Å; L397-Y422 VanDerWaalsContact O-CE1 3.27Å; L397-Y422 WeakPolarHBondContact O-CE1 3.48Å; V399-Y422 PolarHBondContact N-OH 2.87Å; V420-Y422 HydrophobicContact CG1-CE2 4.16Å; V420-Y422 HydrophobicContact CG2-CD2 4.41Å; V420-Y422 HydrophobicContact CG2-CE1 4.48Å; V420-Y422 HydrophobicContact CG2-CE2 3.72Å
423I97.8Very high95.8Very high20 Ų2064.7 Ų64.710%0.10330%0.303CS..EExtended strand (participates in β ladder)trans-134.5116.6176.9-42.8176.3000109.1V175 L176 E177 E389 R421V175-I423 PolarHBondContact O-N 3.22Å; L176-I423 HydrophobicContact CD2-CB 3.91Å; L176-I423 HydrophobicContact CD2-CD1 3.39Å; L176-I423 HydrophobicContact CD2-CG1 3.86Å; E177-I423 PolarHBondContact N-O 3.45Å; E389-I423 HydrophobicContact CG-CG2 3.72Å; R421-I423 HydrophobicContact CG-CD1 4.48Å; R421-I423 HydrophobicContact CG-CG1 3.97Å
424G98Very high96.1Very high0 Ų065.6 Ų65.60%031%0.306CS..EExtended strand (participates in β ladder)trans-93.7137.8164.300000109.5E177 E389 V390 F392E177-G424 CarbonylContact O-C 3.53Å; E177-G424 WeakPolarHBondContact O-CA 3.09Å; E389-G424 CarbonylContact C-O 3.55Å; E389-G424 WeakPolarHBondContact CA-O 3.45Å; V390-G424 WeakPolarHBondContact CG2-O 3.43Å; V390-G424 PolarHBondContact N-O 3.1Å; V390-G424 PolarHBondContact O-N 3.04Å; F392-G424 WeakPolarHBondContact O-CA 3.45Å; F392-G424 PolarHBondContact O-N 3.14Å
425R98Very high96.2Very high102 Ų10259.7 Ų59.739%0.38528%0.279SS..EExtended strand (participates in β ladder)trans-132.9162.8170.460.2179.4-178.7-164.1-0.3110E177 S178 V179 F388E177-R425 WeakPolarHBondContact O-CG 3.43Å; E177-R425 PolarHBondContact O-N 3.4Å; S178-R425 CarbonylContact C-O 3.55Å; S178-R425 WeakPolarHBondContact CA-O 3.28Å; S178-R425 PolarHBondContact OG-NE 2.98Å; V179-R425 PolarHBondContact N-O 2.86Å; F388-R425 VanDerWaalsContact O-CA 3.31Å; F388-R425 WeakPolarHBondContact O-CA 3.46Å
426S97.6Very high96.3Very high16 Ų1658.2 Ų58.211%0.11227%0.269CS..EExtended strand (participates in β ladder)trans-63.7134.1163.651.90000110.1M386 N387 F388M386-S426 VanDerWaalsContact O-CB 3.26Å; M386-S426 WeakPolarHBondContact O-CB 3.29Å; N387-S426 VanDerWaalsContact CA-OG 3.22Å; N387-S426 WeakPolarHBondContact CA-OG 2.91Å; N387-S426 PolarHBondContact OD1-OG 2.93Å; F388-S426 PolarHBondContact N-OG 2.91Å; F388-S426 PolarHBondContact O-N 2.74Å
427G96.1Very high96.3Very high28 Ų2861.1 Ų61.129%0.28928%0.281SS..EExtended strand (participates in β ladder)trans-91.1-122.1153.400000108.5V179 N180 Y429V179-G427 PolarHBondContact O-N 2.86Å; N180-G427 VanDerWaalsContact OD1-CA 3.29Å; N180-G427 WeakPolarHBondContact OD1-CA 3.21Å; G427-Y429 PolarHBondContact O-N 2.76Å
428I95.7Very high96.2Very high109 Ų10961.8 Ų61.856%0.55928%0.282SS*.EExtended strand (participates in β ladder)trans-81.298.9168.3-57.3173.4000107.7N180 L181 E430N180-I428 CarbonylContact C-O 3.53Å; N180-I428 VanDerWaalsContact CA-O 3.24Å; N180-I428 WeakPolarHBondContact CA-O 3.14Å; N180-I428 PolarHBondContact OD1-N 2.81Å; L181-I428 PolarHBondContact N-O 2.91Å; L181-I428 VanDerWaalsContact O-O 3.09Å; I428-E430 HydrophobicContact CG2-CG 4Å
429Y97.8Very high96.2Very high4 Ų461.1 Ų61.12%0.01628%0.28CS..EExtended strand (participates in β ladder)trans-118.693.7-175.3-161.4-78.6000110.3V179 L181 F285 S385 M386 F388 G427V179-Y429 HydrophobicContact CB-CD2 4.26Å; V179-Y429 HydrophobicContact CB-CE2 4.42Å; V179-Y429 HydrophobicContact CG1-CD2 4.06Å; V179-Y429 HydrophobicContact CG1-CE2 3.9Å; L181-Y429 HydrophobicContact CB-CD2 3.62Å; L181-Y429 HydrophobicContact CB-CE2 3.67Å; L181-Y429 HydrophobicContact CB-CG 4.09Å; L181-Y429 HydrophobicContact CD2-CD1 4.23Å; L181-Y429 HydrophobicContact CD2-CD2 4.27Å; L181-Y429 HydrophobicContact CD2-CE1 3.61Å; L181-Y429 HydrophobicContact CD2-CE2 3.64Å; L181-Y429 WeakPolarHBondContact CD2-OH 3.44Å; L181-Y429 HydrophobicContact CG-CE2 4.29Å; F285-Y429 HydrophobicContact CB-CE1 4.48Å; F285-Y429 PolarHBondContact O-OH 3.14Å; S385-Y429 CarbonylContact C-O 3.58Å; S385-Y429 WeakPolarHBondContact CA-O 3.49Å; M386-Y429 HydrophobicContact CB-CD1 3.93Å; M386-Y429 PolarHBondContact N-O 2.61Å; M386-Y429 WeakPolarHBondContact O-CB 3.34Å; F388-Y429 HydrophobicContact CE1-CD1 4.1Å; F388-Y429 AromaticContact CE1-CD2 3.69Å; F388-Y429 HydrophobicContact CE1-CD2 3.69Å; F388-Y429 HydrophobicContact CE1-CE1 4.21Å; F388-Y429 AromaticContact CE1-CE2 3.85Å; F388-Y429 HydrophobicContact CE1-CE2 3.85Å; F388-Y429 AromaticContact CE1-CG 3.81Å; F388-Y429 HydrophobicContact CE1-CG 3.81Å; F388-Y429 AromaticContact CZ-CD2 3.88Å; F388-Y429 HydrophobicContact CZ-CD2 3.88Å; F388-Y429 AromaticContact CZ-CE2 3.9Å; F388-Y429 HydrophobicContact CZ-CE2 3.9Å; F388-Y429 HydrophobicContact CZ-CG 4.45Å; G427-Y429 PolarHBondContact O-N 2.76Å
430E97.6Very high96.1Very high63 Ų6354.5 Ų54.529%0.29426%0.259SS..EExtended strand (participates in β ladder)trans-130.6139.8-163.5-72.6-175.1172.100112.8L181 L182 M183 P383 I384 I428L181-E430 PolarHBondContact O-N 3.28Å; L182-E430 CarbonylContact C-O 3.57Å; L182-E430 WeakPolarHBondContact CA-O 3.25Å; L182-E430 HydrophobicContact CD1-CB 4.3Å; M183-E430 PolarHBondContact N-O 2.87Å; P383-E430 HydrophobicContact CB-CB 3.99Å; P383-E430 HydrophobicContact CB-CG 4.41Å; P383-E430 HydrophobicContact CG-CB 4.22Å; P383-E430 HydrophobicContact CG-CG 4.23Å; P383-E430 VanDerWaalsContact CG-OE2 3.3Å; P383-E430 WeakPolarHBondContact CG-OE2 3.39Å; I384-E430 CarbonylContact O-C 3.58Å; I384-E430 VanDerWaalsContact O-CA 3.31Å; I384-E430 WeakPolarHBondContact O-CA 3.45Å; I428-E430 HydrophobicContact CG2-CG 4Å
431T96.8Very high96Very high0 Ų053.2 Ų53.20%025%0.245CC..EExtended strand (participates in β ladder)trans-123.9124.4172.7-56.30000109.2M183 P289 P383 I384M183-T431 HydrophobicContact CB-CG2 4.09Å; M183-T431 HydrophobicContact CE-CG2 3.6Å; M183-T431 WeakPolarHBondContact CE-OG1 3.04Å; M183-T431 HydrophobicContact CG-CG2 4.42Å; P289-T431 HydrophobicContact CG-CG2 3.83Å; P383-T431 CarbonylContact C-O 3.6Å; P383-T431 WeakPolarHBondContact CA-O 3.39Å; P383-T431 WeakPolarHBondContact CB-O 3.45Å; I384-T431 PolarHBondContact N-O 2.83Å; I384-T431 PolarHBondContact O-N 3.19Å
432R93.3Very high96Very high127 Ų12746.7 Ų46.748%0.47923%0.225SC..  trans-68.6149.7175.1-65.4-179.5177.4176.5-1.3110.8L182 M183 P185 P383L182-R432 HydrophobicContact CD1-CG 4.18Å; M183-R432 PolarHBondContact O-N 3.18Å; P185-R432 VanDerWaalsContact CA-O 3.31Å; P185-R432 WeakPolarHBondContact CA-O 3.16Å; P185-R432 HydrophobicContact CG-CB 3.93Å; P383-R432 HydrophobicContact CB-CG 4.49Å
433C85.1Confident95.8Very high36 Ų3645.9 Ų45.924%0.24323%0.225CC..  trans-137.40-178.957.20000112.9P289 V291 R381 P382P289-C433 HydrophobicContact CB-CB 3.85Å; P289-C433 HydrophobicContact CG-CB 4.02Å; V291-C433 HydrophobicContact CG2-CB 3.95Å; R381-C433 PolarHBondContact NH1-OXT 2.85Å; P382-C433 PolarHBondContact O-SG 2.7Å

Retrieved 433 of 433 residues in 756.6 ms (Link to these results)

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